A0A913KUU7_SCHMA Loading...

ADP/ATP translocase AlphaSync

Catalyzes the exchange of ADP and ATP across the membrane.

AlphaFold DB , UniProt , Accession A0A913KUU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.7	Very low	58.1	Low	198 Å²	198	94.1 Å²	94.1	98%	0.975	53%	0.534	S	S	*	.				0	136.2	0	-89.3	146.1	59.8	0	0	108.3
2	G	34.2	Very low	60.5	Low	56 Å²	56	90.8 Å²	90.8	58%	0.577	52%	0.521	S	S	*	.			trans	-72.5	155.9	-173.1	0	0	0	0	0	112.3	G4	G2-G4 PolarHBondContact O-N 3.01Å
3	E	39.5	Very low	62.2	Low	88 Å²	88	93.9 Å²	93.9	41%	0.411	53%	0.525	S	S	.	.	S	Bend	trans	-66.2	26.2	175	-56.9	-178.8	153.9	0	0	112.9	K28 Y87 Q91	E3-K28 VanDerWaalsContact CD-NZ 3.26Å; E3-K28 IonicContact OE1-NZ 2.83Å; E3-K28 PolarHBondContact OE1-NZ 3.22Å; E3-K28 IonicContact OE2-NZ 3.46Å; E3-K28 PolarHBondContact OE2-NZ 3.39Å; E3-Y87 HydrophobicContact CB-CD2 4.29Å; E3-Y87 HydrophobicContact CB-CE2 3.83Å; E3-Y87 WeakPolarHBondContact O-CE2 3.33Å; E3-Y87 PolarHBondContact O-OH 3.47Å; E3-Y87 WeakPolarHBondContact OE2-CD2 3.42Å; E3-Q91 PolarHBondContact O-NE2 3.44Å
4	G	42.3	Very low	63.9	Low	47 Å²	47	91.2 Å²	91.2	49%	0.485	52%	0.521	S	S	.	.			trans	-85.2	110.5	171.1	0	0	0	0	0	108.1	G2	G2-G4 PolarHBondContact O-N 3.01Å
5	G	51.5	Low	65.3	Low	27 Å²	27	88.6 Å²	88.6	28%	0.278	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-58.6	164.2	169.5	0	0	0	0	0	110.6	E7	G5-E7 PolarHBondContact O-N 3.31Å
6	K	61.5	Low	66.5	Low	164 Å²	164	83.9 Å²	83.9	71%	0.713	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-55.4	127	170.7	-72.7	179.3	179.8	174.3	0	108.6	I8	K6-I8 PolarHBondContact O-N 3.47Å
7	E	67.7	Low	67.5	Low	148 Å²	148	83.3 Å²	83.3	69%	0.692	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-65.4	127.6	166.8	-72.2	-178.7	171.4	0	0	108.1	G5	G5-E7 PolarHBondContact O-N 3.31Å
8	I	74.3	Confident	68.6	Low	32 Å²	32	85.1 Å²	85.1	16%	0.164	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-86.1	121.9	174	-61.1	179.8	0	0	0	108.2	K6 G10 L11 N16 K297 A301	K6-I8 PolarHBondContact O-N 3.47Å; I8-G10 PolarHBondContact O-N 3.33Å; I8-L11 HydrophobicContact CB-CD1 4.1Å; I8-L11 HydrophobicContact CB-CG 4.44Å; I8-L11 HydrophobicContact CG2-CD1 4.47Å; I8-L11 HydrophobicContact CG2-CG 4.48Å; I8-L11 PolarHBondContact O-N 3.04Å; I8-N16 PolarHBondContact N-OD1 3.2Å; I8-N16 PolarHBondContact O-ND2 3.29Å; I8-K297 VanDerWaalsContact CD1-C 3.41Å; I8-K297 HydrophobicContact CD1-CB 3.51Å; I8-K297 WeakPolarHBondContact CD1-O 3.42Å; I8-A301 HydrophobicContact CD1-CB 3.99Å; I8-A301 HydrophobicContact CG2-CB 3.55Å
9	K	77.5	Confident	69.6	Low	198 Å²	198	81.9 Å²	81.9	86%	0.861	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.7	174.7	-66.9	-175.8	177.7	-178.5	0	109.4	L305	K9-L305 WeakPolarHBondContact O-CD1 3.4Å
10	G	81.4	Confident	70.4	Confident	61 Å²	61	78.5 Å²	78.5	63%	0.629	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-22.2	178.6	0	0	0	0	0	114.5	I8 L305	I8-G10 PolarHBondContact O-N 3.33Å; G10-L305 WeakPolarHBondContact O-CD2 3.27Å
11	L	82.8	Confident	71.2	Confident	16 Å²	16	74.9 Å²	74.9	8%	0.084	42%	0.418	C	S	.	.	S	Bend	trans	-83.7	147.5	171	-63	-177.4	0	0	0	110.6	I8 E15 N16 L19 Y300 A301 R304 L305	I8-L11 HydrophobicContact CB-CD1 4.1Å; I8-L11 HydrophobicContact CB-CG 4.44Å; I8-L11 HydrophobicContact CG2-CD1 4.47Å; I8-L11 HydrophobicContact CG2-CG 4.48Å; I8-L11 PolarHBondContact O-N 3.04Å; L11-E15 HydrophobicContact CB-CB 4.16Å; L11-N16 WeakPolarHBondContact CB-ND2 3.49Å; L11-N16 PolarHBondContact O-ND2 3.46Å; L11-L19 HydrophobicContact CD1-CD1 3.64Å; L11-Y300 HydrophobicContact CD1-CD1 4.16Å; L11-Y300 HydrophobicContact CD1-CE1 4.17Å; L11-Y300 HydrophobicContact CD2-CE1 4.06Å; L11-A301 HydrophobicContact CD1-CB 4.48Å; L11-R304 HydrophobicContact CD2-CG 4.21Å; L11-L305 HydrophobicContact CD2-CD2 4.47Å
12	S	86.8	Confident	74.2	Confident	55 Å²	55	67.5 Å²	67.5	39%	0.385	39%	0.389	S	S	.	.			trans	-63.6	160.9	173.2	66.5	0	0	0	0	111.5	A14 E15 N16	S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 2.74Å; S12-E15 WeakPolarHBondContact CB-OE2 3.3Å; S12-E15 PolarHBondContact N-OE2 2.75Å; S12-E15 PolarHBondContact O-N 3.26Å; S12-E15 WeakPolarHBondContact OG-CB 3.44Å; S12-E15 VanDerWaalsContact OG-CG 3.27Å; S12-E15 WeakPolarHBondContact OG-CG 3.44Å; S12-E15 PolarHBondContact OG-N 3.27Å; S12-E15 PolarHBondContact OG-OE2 2.85Å; S12-N16 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact O-ND2 3.03Å
13	F	82.6	Confident	76.8	Confident	131 Å²	131	65 Å²	65	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-56.8	-42.6	174.2	175	-98.2	0	0	0	111.9	E15 N16 F17	F13-E15 PolarHBondContact O-N 3.33Å; F13-N16 PolarHBondContact O-N 3.4Å; F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.01Å; F13-F17 PolarHBondContact O-N 3.32Å
14	A	85.7	Confident	79.1	Confident	56 Å²	56	61.2 Å²	61.2	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-43.2	178.6	0	0	0	0	0	112	S12 F17 L18	S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 2.74Å; A14-F17 PolarHBondContact O-N 3.23Å; A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.41Å; A14-L18 PolarHBondContact O-N 2.89Å
15	E	85	Confident	81.5	Confident	52 Å²	52	61.1 Å²	61.1	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-48.5	176.2	-74.4	167.9	114.7	0	0	111.8	L11 S12 F13 F17 L18 L19	L11-E15 HydrophobicContact CB-CB 4.16Å; S12-E15 WeakPolarHBondContact CB-OE2 3.3Å; S12-E15 PolarHBondContact N-OE2 2.75Å; S12-E15 PolarHBondContact O-N 3.26Å; S12-E15 WeakPolarHBondContact OG-CB 3.44Å; S12-E15 VanDerWaalsContact OG-CG 3.27Å; S12-E15 WeakPolarHBondContact OG-CG 3.44Å; S12-E15 PolarHBondContact OG-N 3.27Å; S12-E15 PolarHBondContact OG-OE2 2.85Å; F13-E15 PolarHBondContact O-N 3.33Å; E15-F17 VanDerWaalsContact C-N 3.28Å; E15-F17 PolarHBondContact O-N 2.96Å; E15-L18 PolarHBondContact O-N 3.39Å; E15-L19 WeakPolarHBondContact O-CB 3.16Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 2.97Å; E15-L19 PolarHBondContact O-N 2.69Å
16	N	84.7	Confident	83.3	Confident	13 Å²	13	64 Å²	64	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-58.6	-41.4	177	-87.9	-62.2	0	0	0	111.9	I8 L11 S12 F13 S20	I8-N16 PolarHBondContact N-OD1 3.2Å; I8-N16 PolarHBondContact O-ND2 3.29Å; L11-N16 WeakPolarHBondContact CB-ND2 3.49Å; L11-N16 PolarHBondContact O-ND2 3.46Å; S12-N16 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact O-ND2 3.03Å; F13-N16 PolarHBondContact O-N 3.4Å; N16-S20 WeakPolarHBondContact O-CB 3.49Å; N16-S20 PolarHBondContact O-N 3.06Å; N16-S20 PolarHBondContact O-OG 2.94Å
17	F	83.9	Confident	84.7	Confident	74 Å²	74	56.5 Å²	56.5	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-48.5	177.2	-178.9	-96.8	0	0	0	111.8	F13 A14 E15 S20 G21 F88 Q91	F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.01Å; F13-F17 PolarHBondContact O-N 3.32Å; A14-F17 PolarHBondContact O-N 3.23Å; E15-F17 VanDerWaalsContact C-N 3.28Å; E15-F17 PolarHBondContact O-N 2.96Å; F17-S20 PolarHBondContact O-N 3.33Å; F17-G21 PolarHBondContact O-N 2.7Å; F17-F88 HydrophobicContact CE1-CD1 4.19Å; F17-F88 HydrophobicContact CE1-CE1 4.38Å; F17-F88 AromaticContact CZ-CD1 3.94Å; F17-F88 HydrophobicContact CZ-CD1 3.94Å; F17-Q91 HydrophobicContact CE2-CB 4.14Å
18	L	87	Confident	85.9	Confident	116 Å²	116	50.5 Å²	50.5	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-65.2	-45	179.4	-72.4	173.6	0	0	0	112	A14 E15 S20 G21 A22	A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.41Å; A14-L18 PolarHBondContact O-N 2.89Å; E15-L18 PolarHBondContact O-N 3.39Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.79Å; L18-G21 PolarHBondContact O-N 3.14Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.09Å
19	L	87.6	Confident	86.9	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-42.7	176.2	-73.6	171.6	0	0	0	111.3	L11 E15 A23 F293 K297 Y300	L11-L19 HydrophobicContact CD1-CD1 3.64Å; E15-L19 WeakPolarHBondContact O-CB 3.16Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 2.97Å; E15-L19 PolarHBondContact O-N 2.69Å; L19-A23 WeakPolarHBondContact O-CB 3.32Å; L19-A23 PolarHBondContact O-N 3.34Å; L19-F293 VanDerWaalsContact O-CE1 3.22Å; L19-F293 WeakPolarHBondContact O-CE1 3.4Å; L19-K297 HydrophobicContact CB-CG 4.41Å; L19-Y300 HydrophobicContact CD1-CD1 3.68Å; L19-Y300 HydrophobicContact CD1-CE1 3.83Å; L19-Y300 HydrophobicContact CD2-CD1 4.41Å
20	S	84.5	Confident	87.6	Confident	13 Å²	13	44.5 Å²	44.5	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-36.8	177.5	-61.5	0	0	0	0	112.7	N16 F17 L18 A23 A24 Y87 K297	N16-S20 WeakPolarHBondContact O-CB 3.49Å; N16-S20 PolarHBondContact O-N 3.06Å; N16-S20 PolarHBondContact O-OG 2.94Å; F17-S20 PolarHBondContact O-N 3.33Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.79Å; S20-A23 WeakPolarHBondContact O-CB 3.47Å; S20-A23 PolarHBondContact O-N 3.21Å; S20-A24 WeakPolarHBondContact O-CB 3.35Å; S20-A24 PolarHBondContact O-N 2.8Å; S20-Y87 PolarHBondContact O-OH 3.47Å; S20-K297 PolarHBondContact OG-NZ 3.38Å
21	G	88.8	Confident	88.2	Confident	2 Å²	2	42 Å²	42	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-48.3	172.4	0	0	0	0	0	112.3	F17 L18 A23 A24 V25 Y87	F17-G21 PolarHBondContact O-N 2.7Å; L18-G21 PolarHBondContact O-N 3.14Å; G21-A23 PolarHBondContact O-N 3.22Å; G21-A24 PolarHBondContact O-N 3.18Å; G21-V25 WeakPolarHBondContact O-CG2 3.22Å; G21-V25 PolarHBondContact O-N 2.65Å; G21-Y87 VanDerWaalsContact CA-CE1 3.46Å
22	A	88.6	Confident	88.9	Confident	44 Å²	44	41.4 Å²	41.4	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-47.1	175.5	0	0	0	0	0	111.4	L18 A24 V25 I26 F293	L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.09Å; A22-A24 VanDerWaalsContact C-N 3.31Å; A22-A24 PolarHBondContact O-N 3.49Å; A22-V25 PolarHBondContact O-N 2.88Å; A22-I26 WeakPolarHBondContact O-CB 3.46Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.86Å; A22-F293 HydrophobicContact CB-CZ 4.33Å
23	A	88.2	Confident	89.3	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-52.4	-50	174.8	0	0	0	0	0	111.8	L19 S20 G21 I26 A27 F293	L19-A23 WeakPolarHBondContact O-CB 3.32Å; L19-A23 PolarHBondContact O-N 3.34Å; S20-A23 WeakPolarHBondContact O-CB 3.47Å; S20-A23 PolarHBondContact O-N 3.21Å; G21-A23 PolarHBondContact O-N 3.22Å; A23-I26 PolarHBondContact O-N 3.06Å; A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.39Å; A23-F293 HydrophobicContact CB-CB 4.21Å; A23-F293 HydrophobicContact CB-CD1 3.12Å; A23-F293 HydrophobicContact CB-CD2 4.12Å; A23-F293 HydrophobicContact CB-CE1 3.35Å; A23-F293 HydrophobicContact CB-CE2 4.29Å; A23-F293 HydrophobicContact CB-CG 3.54Å; A23-F293 HydrophobicContact CB-CZ 3.93Å
24	A	88.6	Confident	90	Very high	8 Å²	8	36.5 Å²	36.5	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-40.7	-176.8	0	0	0	0	0	111.9	S20 G21 A22 K28 Y87	S20-A24 WeakPolarHBondContact O-CB 3.35Å; S20-A24 PolarHBondContact O-N 2.8Å; G21-A24 PolarHBondContact O-N 3.18Å; A22-A24 VanDerWaalsContact C-N 3.31Å; A22-A24 PolarHBondContact O-N 3.49Å; A24-K28 VanDerWaalsContact O-CB 3.28Å; A24-K28 WeakPolarHBondContact O-CB 3.5Å; A24-K28 WeakPolarHBondContact O-CG 3.45Å; A24-K28 PolarHBondContact O-N 3.39Å; A24-Y87 HydrophobicContact CB-CD1 4.38Å; A24-Y87 HydrophobicContact CB-CD2 3.37Å; A24-Y87 HydrophobicContact CB-CE1 4.32Å; A24-Y87 HydrophobicContact CB-CE2 3.27Å; A24-Y87 HydrophobicContact CB-CG 3.93Å
25	V	92.1	Very high	90.5	Very high	44 Å²	44	34.3 Å²	34.3	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-44	176.8	170.7	0	0	0	0	110.8	G21 A22 T29 C84 F88	G21-V25 WeakPolarHBondContact O-CG2 3.22Å; G21-V25 PolarHBondContact O-N 2.65Å; A22-V25 PolarHBondContact O-N 2.88Å; V25-T29 VanDerWaalsContact O-CB 3.27Å; V25-T29 WeakPolarHBondContact O-CB 3.32Å; V25-T29 PolarHBondContact O-N 3.4Å; V25-T29 PolarHBondContact O-OG1 3.46Å; V25-C84 HydrophobicContact CG1-CB 4.4Å; V25-C84 HydrophobicContact CG2-CB 4.22Å; V25-F88 HydrophobicContact CG2-CE2 4.49Å
26	I	90.9	Very high	91.1	Very high	87 Å²	87	32 Å²	32	45%	0.446	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-48.9	176.9	-69.1	165.1	0	0	0	110.3	A22 A23 K28 T29 A30 V289 F293	A22-I26 WeakPolarHBondContact O-CB 3.46Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.86Å; A23-I26 PolarHBondContact O-N 3.06Å; I26-K28 PolarHBondContact O-N 3.29Å; I26-T29 PolarHBondContact O-N 3.29Å; I26-T29 VanDerWaalsContact O-N 3.12Å; I26-A30 WeakPolarHBondContact O-CB 3.25Å; I26-A30 PolarHBondContact O-N 3.22Å; I26-V289 HydrophobicContact CG2-CG1 4.28Å; I26-F293 HydrophobicContact CD1-CD2 4.44Å; I26-F293 HydrophobicContact CD1-CE2 3.89Å
27	A	90.5	Very high	91.7	Very high	7 Å²	7	31.6 Å²	31.6	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-44.4	178.6	0	0	0	0	0	112.3	A23 T29 A30 A31 V289 L290	A23-A27 VanDerWaalsContact O-CB 3.26Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.39Å; A27-T29 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3.19Å; A27-A30 PolarHBondContact O-N 3.12Å; A27-A31 WeakPolarHBondContact O-CB 3.21Å; A27-A31 PolarHBondContact O-N 2.9Å; A27-V289 HydrophobicContact CB-CB 4.23Å; A27-V289 HydrophobicContact CB-CG1 3.89Å; A27-L290 HydrophobicContact CB-CD2 3.86Å; A27-L290 HydrophobicContact CB-CG 3.97Å
28	K	92	Very high	92.4	Very high	22 Å²	22	28.4 Å²	28.4	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-39	175.5	-74.4	175.8	-158.2	-68.5	0	111.8	E3 A24 I26 A32 N80 N83	E3-K28 VanDerWaalsContact CD-NZ 3.26Å; E3-K28 IonicContact OE1-NZ 2.83Å; E3-K28 PolarHBondContact OE1-NZ 3.22Å; E3-K28 IonicContact OE2-NZ 3.46Å; E3-K28 PolarHBondContact OE2-NZ 3.39Å; A24-K28 VanDerWaalsContact O-CB 3.28Å; A24-K28 WeakPolarHBondContact O-CB 3.5Å; A24-K28 WeakPolarHBondContact O-CG 3.45Å; A24-K28 PolarHBondContact O-N 3.39Å; I26-K28 PolarHBondContact O-N 3.29Å; K28-A32 WeakPolarHBondContact O-CA 3.44Å; K28-A32 WeakPolarHBondContact O-CB 3.34Å; K28-A32 PolarHBondContact O-N 3.27Å; K28-N80 PolarHBondContact O-OD1 3.41Å; K28-N83 WeakPolarHBondContact CD-O 3.17Å
29	T	94.9	Very high	92.9	Very high	48 Å²	48	23 Å²	23	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-70.1	-42	178.8	-58.6	0	0	0	0	111.9	V25 I26 A27 A31 A32 W77 N80	V25-T29 VanDerWaalsContact O-CB 3.27Å; V25-T29 WeakPolarHBondContact O-CB 3.32Å; V25-T29 PolarHBondContact O-N 3.4Å; V25-T29 PolarHBondContact O-OG1 3.46Å; I26-T29 PolarHBondContact O-N 3.29Å; I26-T29 VanDerWaalsContact O-N 3.12Å; A27-T29 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3.19Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 2.89Å; T29-A32 WeakPolarHBondContact O-CB 3.27Å; T29-A32 PolarHBondContact O-N 3.43Å; T29-W77 PolarHBondContact O-NE1 2.93Å; T29-N80 PolarHBondContact OG1-ND2 3.29Å
30	A	92.9	Very high	93.4	Very high	56 Å²	56	21.8 Å²	21.8	46%	0.463	14%	0.138	S	C	.	.	H	α-helix	trans	-63.2	-39.4	175.6	0	0	0	0	0	111.9	I26 A27 V289	I26-A30 WeakPolarHBondContact O-CB 3.25Å; I26-A30 PolarHBondContact O-N 3.22Å; A27-A30 PolarHBondContact O-N 3.12Å; A30-V289 HydrophobicContact CB-CG1 4.46Å; A30-V289 HydrophobicContact CB-CG2 3.85Å
31	A	94.5	Very high	94.1	Very high	8 Å²	8	21.6 Å²	21.6	7%	0.066	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	178.3	0	0	0	0	0	114.3	A27 T29 I34 E35 R282	A27-A31 WeakPolarHBondContact O-CB 3.21Å; A27-A31 PolarHBondContact O-N 2.9Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 2.89Å; A31-I34 PolarHBondContact O-N 2.74Å; A31-E35 PolarHBondContact O-N 2.75Å; A31-E35 VanDerWaalsContact O-N 3.09Å; A31-R282 HydrophobicContact CB-CG 4.15Å
32	A	96.2	Very high	94.5	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-40.3	-173.4	0	0	0	0	0	114.2	K28 T29 I34 E35 R36 W77 N80	K28-A32 WeakPolarHBondContact O-CA 3.44Å; K28-A32 WeakPolarHBondContact O-CB 3.34Å; K28-A32 PolarHBondContact O-N 3.27Å; T29-A32 WeakPolarHBondContact O-CB 3.27Å; T29-A32 PolarHBondContact O-N 3.43Å; A32-I34 PolarHBondContact O-N 3.45Å; A32-E35 PolarHBondContact O-N 3.03Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-W77 VanDerWaalsContact CB-CD1 3.5Å; A32-W77 HydrophobicContact CB-CG 4.25Å; A32-N80 HydrophobicContact CB-CB 3.97Å
33	P	97.1	Very high	95	Very high	28 Å²	28	19.4 Å²	19.4	18%	0.182	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-45.8	177.3	-28.4	37.8	0	0	0	113.1	R36 V37 F76 W77	P33-R36 PolarHBondContact O-N 2.88Å; P33-V37 WeakPolarHBondContact O-CG2 3.14Å; P33-V37 PolarHBondContact O-N 2.71Å; P33-F76 HydrophobicContact CB-CB 3.91Å; P33-F76 HydrophobicContact CB-CD1 4.28Å; P33-F76 HydrophobicContact CB-CG 4.32Å; P33-F76 HydrophobicContact CG-CB 4.15Å; P33-W77 HydrophobicContact CG-CD2 4.25Å; P33-W77 HydrophobicContact CG-CE3 4.44Å; P33-W77 HydrophobicContact CG-CH2 3.72Å; P33-W77 HydrophobicContact CG-CZ2 3.45Å; P33-W77 VanDerWaalsContact CG-CZ2 3.45Å; P33-W77 HydrophobicContact CG-CZ3 4.2Å
34	I	96.4	Very high	95.4	Very high	55 Å²	55	19.4 Å²	19.4	28%	0.282	12%	0.117	S	C	.	.	H	α-helix	trans	-66.1	-41.6	179.1	-55.1	174.4	0	0	0	110.1	A31 A32 R36 V37 K38 A278 L281 R282 A285	A31-I34 PolarHBondContact O-N 2.74Å; A32-I34 PolarHBondContact O-N 3.45Å; I34-R36 PolarHBondContact O-N 2.66Å; I34-V37 PolarHBondContact O-N 3.35Å; I34-K38 PolarHBondContact O-N 3.36Å; I34-A278 HydrophobicContact CG2-CB 4.42Å; I34-A278 VanDerWaalsContact CG2-O 3.28Å; I34-A278 WeakPolarHBondContact CG2-O 3.42Å; I34-L281 HydrophobicContact CG2-CB 4.14Å; I34-R282 HydrophobicContact CB-CB 4.38Å; I34-R282 HydrophobicContact CG2-CB 3.88Å; I34-A285 HydrophobicContact CD1-CB 3.95Å
35	E	96.3	Very high	95.8	Very high	10 Å²	10	20.1 Å²	20.1	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-44.1	174.6	-177.8	82.5	129.7	0	0	112.1	A31 A32 V37 K38 L39 R142 R282	A31-E35 PolarHBondContact O-N 2.75Å; A31-E35 VanDerWaalsContact O-N 3.09Å; A32-E35 PolarHBondContact O-N 3.03Å; E35-V37 VanDerWaalsContact C-N 3.3Å; E35-V37 PolarHBondContact O-N 3.18Å; E35-K38 WeakPolarHBondContact O-CB 3.47Å; E35-K38 PolarHBondContact O-N 2.8Å; E35-K38 VanDerWaalsContact OE2-CD 3.26Å; E35-K38 WeakPolarHBondContact OE2-CD 3.26Å; E35-L39 HydrophobicContact CG-CD1 4.1Å; E35-L39 HydrophobicContact CG-CG 4.42Å; E35-L39 WeakPolarHBondContact O-CG 3.42Å; E35-L39 PolarHBondContact O-N 3.37Å; E35-R142 VanDerWaalsContact CD-NH2 3.28Å; E35-R142 IonicContact OE1-CZ 4Å; E35-R142 IonicContact OE1-NE 2.76Å; E35-R142 IonicContact OE1-NH1 3.61Å; E35-R142 PolarHBondContact OE1-NH1 3.01Å; E35-R142 IonicContact OE1-NH2 2.8Å; E35-R142 PolarHBondContact OE1-NH2 3.1Å; E35-R282 IonicContact OE1-NE 2.69Å; E35-R282 WeakPolarHBondContact OE2-CD 3.23Å; E35-R282 IonicContact OE2-CZ 3.22Å; E35-R282 IonicContact OE2-NE 3.96Å; E35-R282 PolarHBondContact OE2-NE 3.2Å
36	R	97.6	Very high	95.9	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-44.9	179.4	-171.6	-176.1	-179.9	-145.8	7	110	A32 P33 I34 K38 L39 L40 T67 E71 P75 F76 A146 N149	A32-R36 PolarHBondContact O-N 2.96Å; P33-R36 PolarHBondContact O-N 2.88Å; I34-R36 PolarHBondContact O-N 2.66Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.99Å; R36-L39 PolarHBondContact O-N 3.06Å; R36-L39 VanDerWaalsContact O-N 3.16Å; R36-L40 HydrophobicContact CG-CD1 4.06Å; R36-L40 HydrophobicContact CG-CG 4.27Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.29Å; R36-L40 PolarHBondContact O-N 2.76Å; R36-T67 VanDerWaalsContact NH1-CG2 3.28Å; R36-E71 IonicContact CZ-OE2 3.96Å; R36-E71 IonicContact NH1-OE2 3.8Å; R36-E71 PolarHBondContact NH1-OE2 3.08Å; R36-E71 IonicContact NH2-OE2 3.73Å; R36-E71 PolarHBondContact NH2-OE2 3.29Å; R36-P75 WeakPolarHBondContact CD-O 3.4Å; R36-P75 PolarHBondContact NE-O 3.42Å; R36-P75 VanDerWaalsContact NE-O 3.12Å; R36-P75 PolarHBondContact NH1-O 3.08Å; R36-F76 VanDerWaalsContact CB-O 3.32Å; R36-F76 WeakPolarHBondContact CB-O 3.11Å; R36-F76 WeakPolarHBondContact CD-O 3.38Å; R36-A146 HydrophobicContact CG-CB 4.39Å; R36-A146 PolarHBondContact NE-O 3.33Å; R36-N149 PolarHBondContact NH2-OD1 3.41Å
37	V	97.5	Very high	96.1	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.024	9%	0.088	C	C	.	.	H	α-helix	trans	-60.6	-41.7	176.2	174.8	0	0	0	0	111.5	P33 I34 E35 L39 L40 V41 V60 C63 F76	P33-V37 WeakPolarHBondContact O-CG2 3.14Å; P33-V37 PolarHBondContact O-N 2.71Å; I34-V37 PolarHBondContact O-N 3.35Å; E35-V37 VanDerWaalsContact C-N 3.3Å; E35-V37 PolarHBondContact O-N 3.18Å; V37-L39 PolarHBondContact O-N 2.77Å; V37-L40 PolarHBondContact O-N 3.11Å; V37-V41 HydrophobicContact CG1-CG2 4.39Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 2.94Å; V37-V60 HydrophobicContact CG1-CB 4.41Å; V37-V60 HydrophobicContact CG1-CG1 3.7Å; V37-C63 HydrophobicContact CG1-CB 4.18Å; V37-F76 HydrophobicContact CG2-CD1 4.14Å; V37-F76 HydrophobicContact CG2-CE1 3.76Å
38	K	97.8	Very high	96.3	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-53.9	-54.1	171.8	178.3	-145.5	163.9	175	0	110.5	I34 E35 R36 L40 V41 Q42 Y234 D237 A278 N279	I34-K38 PolarHBondContact O-N 3.36Å; E35-K38 WeakPolarHBondContact O-CB 3.47Å; E35-K38 PolarHBondContact O-N 2.8Å; E35-K38 VanDerWaalsContact OE2-CD 3.26Å; E35-K38 WeakPolarHBondContact OE2-CD 3.26Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.99Å; K38-L40 PolarHBondContact O-N 2.75Å; K38-V41 PolarHBondContact O-N 3.13Å; K38-Q42 WeakPolarHBondContact O-CB 3.13Å; K38-Q42 PolarHBondContact O-N 3.27Å; K38-Y234 VanDerWaalsContact CE-OH 3.26Å; K38-Y234 WeakPolarHBondContact CE-OH 3.18Å; K38-D237 IonicContact NZ-OD2 3.63Å; K38-D237 PolarHBondContact NZ-OD2 3.07Å; K38-A278 HydrophobicContact CB-CB 3.78Å; K38-A278 HydrophobicContact CG-CB 4.41Å; K38-N279 HydrophobicContact CD-CB 3.87Å; K38-N279 HydrophobicContact CG-CB 4.13Å; K38-N279 PolarHBondContact NZ-OD1 3.3Å; K38-N279 VanDerWaalsContact NZ-OD1 3.1Å
39	L	98.3	Very high	96.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-43.3	-176.7	-70.3	172.5	0	0	0	111.7	E35 R36 V37 Q42 N43 R142 A146 N147	E35-L39 HydrophobicContact CG-CD1 4.1Å; E35-L39 HydrophobicContact CG-CG 4.42Å; E35-L39 WeakPolarHBondContact O-CG 3.42Å; E35-L39 PolarHBondContact O-N 3.37Å; R36-L39 PolarHBondContact O-N 3.06Å; R36-L39 VanDerWaalsContact O-N 3.16Å; V37-L39 PolarHBondContact O-N 2.77Å; L39-Q42 PolarHBondContact O-N 3.03Å; L39-N43 WeakPolarHBondContact O-CB 3.32Å; L39-N43 PolarHBondContact O-N 3.33Å; L39-N43 PolarHBondContact O-ND2 3.1Å; L39-R142 HydrophobicContact CD1-CG 4.47Å; L39-A146 HydrophobicContact CB-CB 4.17Å; L39-A146 HydrophobicContact CD1-CB 3.49Å; L39-A146 VanDerWaalsContact CD1-CB 3.49Å; L39-A146 HydrophobicContact CG-CB 4.48Å; L39-N147 PolarHBondContact O-OD1 2.85Å
40	L	98.1	Very high	96.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.6	-49.9	176.9	-71.9	171	0	0	0	111.5	R36 V37 K38 N43 Q44 M47 Y57 C63 T67 N147 N149	R36-L40 HydrophobicContact CG-CD1 4.06Å; R36-L40 HydrophobicContact CG-CG 4.27Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.29Å; R36-L40 PolarHBondContact O-N 2.76Å; V37-L40 PolarHBondContact O-N 3.11Å; K38-L40 PolarHBondContact O-N 2.75Å; L40-N43 PolarHBondContact O-N 3.34Å; L40-Q44 WeakPolarHBondContact O-CA 3.47Å; L40-Q44 WeakPolarHBondContact O-CB 3.29Å; L40-Q44 PolarHBondContact O-N 3.49Å; L40-M47 HydrophobicContact CD2-CE 3.57Å; L40-M47 HydrophobicContact CD2-SD 3.79Å; L40-Y57 HydrophobicContact CB-CE2 4.05Å; L40-C63 VanDerWaalsContact CB-SG 3.54Å; L40-T67 HydrophobicContact CD1-CG2 4.41Å; L40-N147 WeakPolarHBondContact CA-OD1 3.34Å; L40-N147 PolarHBondContact N-OD1 3.36Å; L40-N149 WeakPolarHBondContact CD2-OD1 3.3Å
41	V	97.9	Very high	96	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.048	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-40.1	179	176.2	0	0	0	0	111.2	V37 K38 N43 Q44 Y57 C63 K274	V37-V41 HydrophobicContact CG1-CG2 4.39Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 2.94Å; K38-V41 PolarHBondContact O-N 3.13Å; V41-N43 VanDerWaalsContact C-N 3.34Å; V41-N43 PolarHBondContact O-N 2.72Å; V41-Q44 WeakPolarHBondContact O-CG 3.47Å; V41-Q44 PolarHBondContact O-NE2 3.42Å; V41-Y57 HydrophobicContact CG2-CD2 4.42Å; V41-C63 HydrophobicContact CG2-CB 3.61Å; V41-K274 HydrophobicContact CG1-CB 4.18Å
42	Q	98.3	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-32.8	-179.5	-175.1	-179.5	40.3	0	0	112.7	K38 L39 Y234 D237 T238 R242 K274	K38-Q42 WeakPolarHBondContact O-CB 3.13Å; K38-Q42 PolarHBondContact O-N 3.27Å; L39-Q42 PolarHBondContact O-N 3.03Å; Q42-Y234 PolarHBondContact NE2-OH 2.86Å; Q42-D237 PolarHBondContact NE2-OD2 2.83Å; Q42-T238 HydrophobicContact CG-CG2 4.04Å; Q42-T238 PolarHBondContact NE2-OG1 3.07Å; Q42-R242 PolarHBondContact O-NE 3.07Å; Q42-R242 PolarHBondContact O-NH2 3.17Å; Q42-K274 WeakPolarHBondContact CA-O 3.46Å; Q42-K274 WeakPolarHBondContact CB-O 3.35Å
43	N	98.2	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-110.3	9	-175.1	-60.6	-72.1	0	0	0	114	L39 L40 V41 D45 E46 M47 N147 R241 R242 M245	L39-N43 WeakPolarHBondContact O-CB 3.32Å; L39-N43 PolarHBondContact O-N 3.33Å; L39-N43 PolarHBondContact O-ND2 3.1Å; L40-N43 PolarHBondContact O-N 3.34Å; V41-N43 VanDerWaalsContact C-N 3.34Å; V41-N43 PolarHBondContact O-N 2.72Å; N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 PolarHBondContact O-N 3.11Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-E46 WeakPolarHBondContact O-CB 3.35Å; N43-E46 PolarHBondContact O-N 2.69Å; N43-M47 WeakPolarHBondContact O-CG 3.4Å; N43-M47 PolarHBondContact O-N 3.28Å; N43-N147 PolarHBondContact ND2-ND2 3.16Å; N43-R241 VanDerWaalsContact OD1-C 3.28Å; N43-R241 VanDerWaalsContact OD1-CB 3.27Å; N43-R241 WeakPolarHBondContact OD1-CB 3.26Å; N43-R242 PolarHBondContact OD1-N 3.19Å; N43-M245 HydrophobicContact CB-CG 4.31Å
44	Q	96.9	Very high	95.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-54.5	-38.5	-171.7	67	-177.9	-63.7	0	0	114.2	L40 V41 E46 M47 I48 L53 P56 Y57 K274	L40-Q44 WeakPolarHBondContact O-CA 3.47Å; L40-Q44 WeakPolarHBondContact O-CB 3.29Å; L40-Q44 PolarHBondContact O-N 3.49Å; V41-Q44 WeakPolarHBondContact O-CG 3.47Å; V41-Q44 PolarHBondContact O-NE2 3.42Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 2.74Å; Q44-M47 CarbonylContact O-C 3.6Å; Q44-M47 WeakPolarHBondContact O-CA 3.4Å; Q44-M47 WeakPolarHBondContact O-CB 3.32Å; Q44-M47 PolarHBondContact O-N 2.96Å; Q44-M47 VanDerWaalsContact O-N 3.13Å; Q44-I48 VanDerWaalsContact O-CG1 3.32Å; Q44-I48 WeakPolarHBondContact O-CG1 3.29Å; Q44-I48 PolarHBondContact O-N 3.23Å; Q44-L53 HydrophobicContact CB-CD2 3.68Å; Q44-P56 VanDerWaalsContact OE1-CB 3.31Å; Q44-Y57 HydrophobicContact CB-CD2 3.94Å; Q44-Y57 HydrophobicContact CB-CE2 4.32Å; Q44-K274 HydrophobicContact CG-CD 4.35Å
45	D	96.5	Very high	95.4	Very high	24 Å²	24	25.4 Å²	25.4	13%	0.128	13%	0.125	C	C	.	.	H	α-helix	trans	-72.9	-28.4	-177.8	-35	-100.4	0	0	0	111.5	N43 I48 K49 R242 K274	N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 PolarHBondContact O-N 3.11Å; N43-D45 VanDerWaalsContact O-N 3.16Å; D45-I48 PolarHBondContact O-N 3.18Å; D45-K49 VanDerWaalsContact O-CG 3.29Å; D45-K49 WeakPolarHBondContact O-CG 3.31Å; D45-K49 PolarHBondContact O-N 3.29Å; D45-K49 VanDerWaalsContact O-N 3.07Å; D45-R242 IonicContact OD2-CZ 2.72Å; D45-R242 IonicContact OD2-NH1 2.74Å; D45-R242 PolarHBondContact OD2-NH1 2.84Å; D45-R242 IonicContact OD2-NH2 3.41Å; D45-R242 PolarHBondContact OD2-NH2 2.99Å; D45-K274 IonicContact OD1-NZ 2.86Å; D45-K274 PolarHBondContact OD1-NZ 3.36Å; D45-K274 IonicContact OD2-NZ 3.8Å; D45-K274 PolarHBondContact OD2-NZ 2.86Å
46	E	95.8	Very high	95.3	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-38.7	167.5	-59.8	-51.5	125	0	0	111.5	N43 Q44 I48 K49 Q50 R242 M245 Y253	N43-E46 WeakPolarHBondContact O-CB 3.35Å; N43-E46 PolarHBondContact O-N 2.69Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 2.74Å; E46-I48 PolarHBondContact O-N 2.8Å; E46-K49 PolarHBondContact O-N 3.39Å; E46-K49 IonicContact OE1-NZ 2.64Å; E46-K49 PolarHBondContact OE1-NZ 2.88Å; E46-Q50 WeakPolarHBondContact O-CB 3.42Å; E46-Q50 WeakPolarHBondContact O-CG 3.45Å; E46-Q50 PolarHBondContact O-N 2.93Å; E46-R242 HydrophobicContact CG-CB 4.34Å; E46-R242 HydrophobicContact CG-CG 4.43Å; E46-R242 IonicContact OE1-NH1 3.07Å; E46-M245 HydrophobicContact CB-CB 3.9Å; E46-M245 HydrophobicContact CB-CG 4.31Å; E46-M245 HydrophobicContact CG-CB 4.12Å; E46-Y253 PolarHBondContact OE1-OH 3.38Å
47	M	95.2	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-36.5	175.1	-62.5	174.6	59.5	0	0	111.4	L40 N43 Q44 Q50 G51 R52 L53 N147 N149	L40-M47 HydrophobicContact CD2-CE 3.57Å; L40-M47 HydrophobicContact CD2-SD 3.79Å; N43-M47 WeakPolarHBondContact O-CG 3.4Å; N43-M47 PolarHBondContact O-N 3.28Å; Q44-M47 CarbonylContact O-C 3.6Å; Q44-M47 WeakPolarHBondContact O-CA 3.4Å; Q44-M47 WeakPolarHBondContact O-CB 3.32Å; Q44-M47 PolarHBondContact O-N 2.96Å; Q44-M47 VanDerWaalsContact O-N 3.13Å; M47-Q50 PolarHBondContact O-N 3.45Å; M47-G51 PolarHBondContact O-N 2.89Å; M47-R52 HydrophobicContact CB-CB 4.07Å; M47-R52 HydrophobicContact CE-CB 4.5Å; M47-R52 WeakPolarHBondContact O-CA 3.45Å; M47-R52 WeakPolarHBondContact O-CB 3.5Å; M47-R52 PolarHBondContact O-N 3.32Å; M47-L53 HydrophobicContact CB-CB 3.76Å; M47-L53 HydrophobicContact CE-CB 4.37Å; M47-L53 PolarHBondContact O-N 3.38Å; M47-N147 VanDerWaalsContact CE-O 3.31Å; M47-N147 WeakPolarHBondContact CE-O 3.32Å; M47-N147 HydrophobicContact CG-CB 4.14Å; M47-N147 HydrophobicContact SD-CB 3.97Å; M47-N149 HydrophobicContact CE-CB 3.91Å; M47-N149 VanDerWaalsContact CE-ND2 3.28Å; M47-N149 WeakPolarHBondContact CE-ND2 3.3Å
48	I	94.1	Very high	95.2	Very high	57 Å²	57	33.1 Å²	33.1	29%	0.292	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-49.2	174.5	-67	165.2	0	0	0	110.6	Q44 D45 E46 Q50 G51 L53 P56	Q44-I48 VanDerWaalsContact O-CG1 3.32Å; Q44-I48 WeakPolarHBondContact O-CG1 3.29Å; Q44-I48 PolarHBondContact O-N 3.23Å; D45-I48 PolarHBondContact O-N 3.18Å; E46-I48 PolarHBondContact O-N 2.8Å; I48-Q50 PolarHBondContact O-N 3.39Å; I48-Q50 VanDerWaalsContact O-N 3.13Å; I48-G51 PolarHBondContact O-N 3.04Å; I48-L53 WeakPolarHBondContact CA-O 3.45Å; I48-L53 HydrophobicContact CD1-CD2 4.31Å; I48-L53 HydrophobicContact CG1-CB 3.9Å; I48-L53 HydrophobicContact CG1-CD2 4.01Å; I48-L53 HydrophobicContact CG1-CG 4.05Å; I48-P56 HydrophobicContact CD1-CB 4.37Å; I48-P56 HydrophobicContact CD1-CG 3.66Å
49	K	92.5	Very high	95	Very high	121 Å²	121	34 Å²	34	53%	0.526	20%	0.195	S	C	.	.	H	α-helix	trans	-55.7	-31.5	176.1	-68.8	166.5	-163	165.9	0	112.1	D45 E46 E267	D45-K49 VanDerWaalsContact O-CG 3.29Å; D45-K49 WeakPolarHBondContact O-CG 3.31Å; D45-K49 PolarHBondContact O-N 3.29Å; D45-K49 VanDerWaalsContact O-N 3.07Å; E46-K49 PolarHBondContact O-N 3.39Å; E46-K49 IonicContact OE1-NZ 2.64Å; E46-K49 PolarHBondContact OE1-NZ 2.88Å; K49-E267 IonicContact NZ-OE1 3.25Å; K49-E267 PolarHBondContact NZ-OE1 3.4Å; K49-E267 VanDerWaalsContact NZ-OE1 3.08Å
50	Q	91.2	Very high	94.8	Very high	21 Å²	21	36.5 Å²	36.5	10%	0.098	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	179.6	-65.1	169.8	19.4	0	0	114.1	E46 M47 I48 R52 M245 Q249	E46-Q50 WeakPolarHBondContact O-CB 3.42Å; E46-Q50 WeakPolarHBondContact O-CG 3.45Å; E46-Q50 PolarHBondContact O-N 2.93Å; M47-Q50 PolarHBondContact O-N 3.45Å; I48-Q50 PolarHBondContact O-N 3.39Å; I48-Q50 VanDerWaalsContact O-N 3.13Å; Q50-R52 HydrophobicContact CB-CG 3.91Å; Q50-R52 PolarHBondContact O-N 2.9Å; Q50-M245 PolarHBondContact NE2-O 2.9Å; Q50-Q249 HydrophobicContact CG-CG 4.25Å
51	G	90.3	Very high	94.8	Very high	18 Å²	18	43 Å²	43	19%	0.186	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	22.9	-175.3	0	0	0	0	0	113.9	M47 I48 S151	M47-G51 PolarHBondContact O-N 2.89Å; I48-G51 PolarHBondContact O-N 3.04Å; G51-S151 WeakPolarHBondContact O-CB 3.43Å; G51-S151 PolarHBondContact O-OG 3.39Å
52	R	91.5	Very high	94.7	Very high	17 Å²	17	45 Å²	45	6%	0.064	25%	0.253	C	S	.	.	S	Bend	trans	-92.3	-18	176.5	-64.3	-74.2	172	-162.3	-9	112.7	M47 Q50 D148 N149 T157 E159	M47-R52 HydrophobicContact CB-CB 4.07Å; M47-R52 HydrophobicContact CE-CB 4.5Å; M47-R52 WeakPolarHBondContact O-CA 3.45Å; M47-R52 WeakPolarHBondContact O-CB 3.5Å; M47-R52 PolarHBondContact O-N 3.32Å; Q50-R52 HydrophobicContact CB-CG 3.91Å; Q50-R52 PolarHBondContact O-N 2.9Å; R52-D148 IonicContact CZ-OD1 2.68Å; R52-D148 IonicContact NE-OD1 3.21Å; R52-D148 IonicContact NH1-OD1 3.83Å; R52-D148 PolarHBondContact NH1-OD1 2.88Å; R52-N149 WeakPolarHBondContact CD-O 3.42Å; R52-N149 PolarHBondContact NH1-O 3.39Å; R52-N149 WeakPolarHBondContact O-CB 3.1Å; R52-T157 PolarHBondContact NH1-O 3.39Å; R52-E159 VanDerWaalsContact CZ-N 3.3Å; R52-E159 IonicContact NE-OE2 3.06Å; R52-E159 IonicContact NH2-OE2 2.75Å
53	L	93.6	Very high	94.6	Very high	7 Å²	7	45 Å²	45	4%	0.037	25%	0.253	C	S	.	.			trans	-134	134.1	174.2	-173.9	64.6	0	0	0	108.4	Q44 M47 I48 K55 Y57	Q44-L53 HydrophobicContact CB-CD2 3.68Å; M47-L53 HydrophobicContact CB-CB 3.76Å; M47-L53 HydrophobicContact CE-CB 4.37Å; M47-L53 PolarHBondContact O-N 3.38Å; I48-L53 WeakPolarHBondContact CA-O 3.45Å; I48-L53 HydrophobicContact CD1-CD2 4.31Å; I48-L53 HydrophobicContact CG1-CB 3.9Å; I48-L53 HydrophobicContact CG1-CD2 4.01Å; I48-L53 HydrophobicContact CG1-CG 4.05Å; L53-K55 WeakPolarHBondContact CD2-O 3.35Å; L53-K55 WeakPolarHBondContact CG-O 3.46Å; L53-Y57 HydrophobicContact CD1-CE1 3.85Å; L53-Y57 HydrophobicContact CD1-CE2 4.03Å; L53-Y57 HydrophobicContact CD2-CD2 3.91Å; L53-Y57 HydrophobicContact CD2-CE2 3.65Å
54	D	91.3	Very high	94.6	Very high	98 Å²	98	47.5 Å²	47.5	52%	0.524	27%	0.269	S	S	.	.	S	Bend	trans	-79.5	-38.6	-177.4	59.9	-37	0	0	0	112.4	R66	D54-R66 IonicContact OD1-CZ 2.76Å; D54-R66 IonicContact OD1-NH2 2.94Å; D54-R66 PolarHBondContact OD1-NH2 2.79Å
55	K	94.1	Very high	94.6	Very high	122 Å²	122	50.1 Å²	50.1	53%	0.53	29%	0.285	S	S	.	.	S	Bend	trans	-150.9	154.7	178.9	63.9	-178.5	177.3	179.6	0	111.3	L53 R66	L53-K55 WeakPolarHBondContact CD2-O 3.35Å; L53-K55 WeakPolarHBondContact CG-O 3.46Å; K55-R66 PolarHBondContact O-NH1 3.19Å; K55-R66 PolarHBondContact O-NH2 3.47Å
56	P	95.9	Very high	94.5	Very high	72 Å²	72	50.1 Å²	50.1	47%	0.468	28%	0.283	S	S	.	.			trans	-51.6	149	176.7	-26.3	34.8	0	0	0	112.8	Q44 I48 R66	Q44-P56 VanDerWaalsContact OE1-CB 3.31Å; I48-P56 HydrophobicContact CD1-CB 4.37Å; I48-P56 HydrophobicContact CD1-CG 3.66Å; P56-R66 PolarHBondContact O-NH1 3.17Å
57	Y	96.5	Very high	94.5	Very high	12 Å²	12	49.8 Å²	49.8	5%	0.047	28%	0.282	C	S	.	.			trans	-74	134.1	166.8	-62	-64.5	0	0	0	109.8	L40 V41 Q44 L53 G59 D62 C63 R66 N149	L40-Y57 HydrophobicContact CB-CE2 4.05Å; V41-Y57 HydrophobicContact CG2-CD2 4.42Å; Q44-Y57 HydrophobicContact CB-CD2 3.94Å; Q44-Y57 HydrophobicContact CB-CE2 4.32Å; L53-Y57 HydrophobicContact CD1-CE1 3.85Å; L53-Y57 HydrophobicContact CD1-CE2 4.03Å; L53-Y57 HydrophobicContact CD2-CD2 3.91Å; L53-Y57 HydrophobicContact CD2-CE2 3.65Å; Y57-G59 PolarHBondContact O-N 3.37Å; Y57-D62 VanDerWaalsContact CA-OD2 3.3Å; Y57-D62 WeakPolarHBondContact CA-OD2 3.5Å; Y57-C63 HydrophobicContact CD1-CB 3.68Å; Y57-C63 HydrophobicContact CD2-CB 4.07Å; Y57-C63 HydrophobicContact CE1-CB 4.04Å; Y57-C63 HydrophobicContact CE2-CB 4.41Å; Y57-C63 HydrophobicContact CG-CB 3.68Å; Y57-R66 HydrophobicContact CE1-CB 4.29Å; Y57-N149 PolarHBondContact OH-ND2 3.31Å
58	A	95.5	Very high	94.5	Very high	97 Å²	97	55.4 Å²	55.4	80%	0.802	31%	0.306	S	S	*	.	S	Bend	trans	-69	-19.3	174.7	0	0	0	0	0	112.6	D62	A58-D62 HydrophobicContact CB-CB 3.95Å; A58-D62 PolarHBondContact N-OD2 3.13Å
59	G	93.7	Very high	94.5	Very high	26 Å²	26	62.5 Å²	62.5	27%	0.268	33%	0.329	S	S	.	.	S	Bend	trans	169.2	-168.8	178.2	0	0	0	0	0	112.2	Y57 I61 D62 C63	Y57-G59 PolarHBondContact O-N 3.37Å; G59-I61 VanDerWaalsContact C-N 3.34Å; G59-I61 PolarHBondContact O-N 2.89Å; G59-D62 PolarHBondContact O-N 3.42Å; G59-C63 WeakPolarHBondContact O-CB 3.32Å; G59-C63 PolarHBondContact O-N 3.04Å
60	V	95	Very high	94.4	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-40.3	-179.3	175.3	0	0	0	0	111.8	V37 T64 A278	V37-V60 HydrophobicContact CG1-CB 4.41Å; V37-V60 HydrophobicContact CG1-CG1 3.7Å; V60-T64 WeakPolarHBondContact O-CB 3.44Å; V60-T64 PolarHBondContact O-N 3.3Å; V60-T64 PolarHBondContact O-OG1 3.34Å; V60-A278 HydrophobicContact CG1-CB 4.47Å; V60-A278 HydrophobicContact CG2-CB 4.09Å
61	I	96.1	Very high	94.5	Very high	135 Å²	135	61.1 Å²	61.1	69%	0.692	33%	0.325	S	S	*	.	H	α-helix	trans	-68.3	-49.2	179.9	-60.7	175.8	0	0	0	110.3	G59 C63 T64 V65	G59-I61 VanDerWaalsContact C-N 3.34Å; G59-I61 PolarHBondContact O-N 2.89Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.45Å; I61-T64 WeakPolarHBondContact O-CB 3.41Å; I61-T64 PolarHBondContact O-N 3.2Å; I61-T64 VanDerWaalsContact O-N 3.15Å; I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.41Å; I61-V65 PolarHBondContact O-N 3.06Å
62	D	97.1	Very high	94.6	Very high	50 Å²	50	61.6 Å²	61.6	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-57.9	-44.6	176.3	178.3	57.5	0	0	0	111.7	Y57 A58 G59 T64 V65 R66	Y57-D62 VanDerWaalsContact CA-OD2 3.3Å; Y57-D62 WeakPolarHBondContact CA-OD2 3.5Å; A58-D62 HydrophobicContact CB-CB 3.95Å; A58-D62 PolarHBondContact N-OD2 3.13Å; G59-D62 PolarHBondContact O-N 3.42Å; D62-T64 VanDerWaalsContact C-N 3.35Å; D62-T64 PolarHBondContact O-N 3.45Å; D62-V65 PolarHBondContact O-N 2.86Å; D62-R66 VanDerWaalsContact CG-CD 3.46Å; D62-R66 VanDerWaalsContact O-CB 3.31Å; D62-R66 WeakPolarHBondContact O-CB 3.42Å; D62-R66 WeakPolarHBondContact O-CG 3.26Å; D62-R66 PolarHBondContact O-N 3.25Å; D62-R66 WeakPolarHBondContact OD1-CD 3.4Å; D62-R66 VanDerWaalsContact OD2-CD 3.27Å; D62-R66 WeakPolarHBondContact OD2-CD 3.34Å; D62-R66 IonicContact OD2-CZ 2.66Å; D62-R66 IonicContact OD2-NH1 3.33Å; D62-R66 PolarHBondContact OD2-NH1 3.25Å
63	C	96.7	Very high	94.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.4	-47.1	174.8	179.7	0	0	0	0	112.2	V37 L40 V41 Y57 G59 I61 T67	V37-C63 HydrophobicContact CG1-CB 4.18Å; L40-C63 VanDerWaalsContact CB-SG 3.54Å; V41-C63 HydrophobicContact CG2-CB 3.61Å; Y57-C63 HydrophobicContact CD1-CB 3.68Å; Y57-C63 HydrophobicContact CD2-CB 4.07Å; Y57-C63 HydrophobicContact CE1-CB 4.04Å; Y57-C63 HydrophobicContact CE2-CB 4.41Å; Y57-C63 HydrophobicContact CG-CB 3.68Å; G59-C63 WeakPolarHBondContact O-CB 3.32Å; G59-C63 PolarHBondContact O-N 3.04Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.45Å; C63-T67 VanDerWaalsContact O-CB 3.22Å; C63-T67 WeakPolarHBondContact O-CB 3.44Å; C63-T67 PolarHBondContact O-N 2.93Å; C63-T67 PolarHBondContact O-OG1 3.02Å
64	T	96.9	Very high	95	Very high	53 Å²	53	72.3 Å²	72.3	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-51.2	177.9	-55.9	0	0	0	0	111.3	V60 I61 D62 T67 F68 F76	V60-T64 WeakPolarHBondContact O-CB 3.44Å; V60-T64 PolarHBondContact O-N 3.3Å; V60-T64 PolarHBondContact O-OG1 3.34Å; I61-T64 WeakPolarHBondContact O-CB 3.41Å; I61-T64 PolarHBondContact O-N 3.2Å; I61-T64 VanDerWaalsContact O-N 3.15Å; D62-T64 VanDerWaalsContact C-N 3.35Å; D62-T64 PolarHBondContact O-N 3.45Å; T64-T67 PolarHBondContact O-N 2.76Å; T64-F68 WeakPolarHBondContact O-CB 3.4Å; T64-F68 PolarHBondContact O-N 2.72Å; T64-F76 HydrophobicContact CG2-CE1 4.12Å; T64-F76 HydrophobicContact CG2-CZ 3.9Å; T64-F76 WeakPolarHBondContact O-CZ 3.26Å
65	V	97.3	Very high	95.1	Very high	59 Å²	59	68.5 Å²	68.5	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-46	-177.5	172.9	0	0	0	0	111.4	I61 D62 F68 R69	I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.41Å; I61-V65 PolarHBondContact O-N 3.06Å; D62-V65 PolarHBondContact O-N 2.86Å; V65-F68 PolarHBondContact O-N 3.12Å; V65-R69 HydrophobicContact CG1-CG 4.41Å; V65-R69 WeakPolarHBondContact O-CB 3.45Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 2.9Å
66	R	95.3	Very high	95.3	Very high	25 Å²	25	63.5 Å²	63.5	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-43	178.2	-74.9	168.1	64.3	-172.5	0.1	111.7	D54 K55 P56 Y57 D62 F68 R69 Q70	D54-R66 IonicContact OD1-CZ 2.76Å; D54-R66 IonicContact OD1-NH2 2.94Å; D54-R66 PolarHBondContact OD1-NH2 2.79Å; K55-R66 PolarHBondContact O-NH1 3.19Å; K55-R66 PolarHBondContact O-NH2 3.47Å; P56-R66 PolarHBondContact O-NH1 3.17Å; Y57-R66 HydrophobicContact CE1-CB 4.29Å; D62-R66 VanDerWaalsContact CG-CD 3.46Å; D62-R66 VanDerWaalsContact O-CB 3.31Å; D62-R66 WeakPolarHBondContact O-CB 3.42Å; D62-R66 WeakPolarHBondContact O-CG 3.26Å; D62-R66 PolarHBondContact O-N 3.25Å; D62-R66 WeakPolarHBondContact OD1-CD 3.4Å; D62-R66 VanDerWaalsContact OD2-CD 3.27Å; D62-R66 WeakPolarHBondContact OD2-CD 3.34Å; D62-R66 IonicContact OD2-CZ 2.66Å; D62-R66 IonicContact OD2-NH1 3.33Å; D62-R66 PolarHBondContact OD2-NH1 3.25Å; R66-F68 VanDerWaalsContact C-N 3.35Å; R66-F68 PolarHBondContact O-N 3.07Å; R66-R69 PolarHBondContact O-N 2.95Å; R66-Q70 VanDerWaalsContact O-CB 3.26Å; R66-Q70 WeakPolarHBondContact O-CB 3.45Å; R66-Q70 VanDerWaalsContact O-CG 3.23Å; R66-Q70 WeakPolarHBondContact O-CG 2.94Å; R66-Q70 PolarHBondContact O-N 3.11Å
67	T	94.9	Very high	95.4	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-46	177	-59.1	0	0	0	0	111.1	R36 L40 C63 T64 Q70 E71 F76	R36-T67 VanDerWaalsContact NH1-CG2 3.28Å; L40-T67 HydrophobicContact CD1-CG2 4.41Å; C63-T67 VanDerWaalsContact O-CB 3.22Å; C63-T67 WeakPolarHBondContact O-CB 3.44Å; C63-T67 PolarHBondContact O-N 2.93Å; C63-T67 PolarHBondContact O-OG1 3.02Å; T64-T67 PolarHBondContact O-N 2.76Å; T67-Q70 PolarHBondContact O-N 3.47Å; T67-E71 PolarHBondContact O-N 3.06Å; T67-F76 HydrophobicContact CG2-CD1 4.43Å; T67-F76 HydrophobicContact CG2-CE1 3.96Å; T67-F76 HydrophobicContact CG2-CE2 4.4Å; T67-F76 HydrophobicContact CG2-CZ 3.94Å
68	F	96.2	Very high	95.4	Very high	118 Å²	118	66.4 Å²	66.4	52%	0.518	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177.4	179.7	-104.7	0	0	0	112.1	T64 V65 R66 Q70 G72 I73 F76	T64-F68 WeakPolarHBondContact O-CB 3.4Å; T64-F68 PolarHBondContact O-N 2.72Å; V65-F68 PolarHBondContact O-N 3.12Å; R66-F68 VanDerWaalsContact C-N 3.35Å; R66-F68 PolarHBondContact O-N 3.07Å; F68-Q70 PolarHBondContact O-N 3.16Å; F68-G72 WeakPolarHBondContact O-CA 3.18Å; F68-G72 PolarHBondContact O-N 2.95Å; F68-I73 HydrophobicContact CD2-CB 4.46Å; F68-I73 HydrophobicContact CE2-CB 4.22Å; F68-F76 HydrophobicContact CB-CE2 4.04Å; F68-F76 HydrophobicContact CB-CZ 4.23Å; F68-F76 HydrophobicContact CD2-CE2 4.34Å
69	R	93.7	Very high	95.5	Very high	206 Å²	206	62.2 Å²	62.2	78%	0.777	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-36.7	179.1	-74.1	-179.6	177.8	-176.6	-0.3	113.2	V65 R66	V65-R69 HydrophobicContact CG1-CG 4.41Å; V65-R69 WeakPolarHBondContact O-CB 3.45Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 2.9Å; R66-R69 PolarHBondContact O-N 2.95Å
70	Q	90.8	Very high	95.6	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-85.7	-34.5	-175.1	-71.1	176.4	-17.6	0	0	113.3	R66 T67 F68	R66-Q70 VanDerWaalsContact O-CB 3.26Å; R66-Q70 WeakPolarHBondContact O-CB 3.45Å; R66-Q70 VanDerWaalsContact O-CG 3.23Å; R66-Q70 WeakPolarHBondContact O-CG 2.94Å; R66-Q70 PolarHBondContact O-N 3.11Å; T67-Q70 PolarHBondContact O-N 3.47Å; F68-Q70 PolarHBondContact O-N 3.16Å
71	E	91.4	Very high	95.7	Very high	20 Å²	20	64.2 Å²	64.2	9%	0.093	32%	0.315	C	S	.	.	H	α-helix	trans	-127.5	-8.4	-170.1	-40.5	-170.2	149.1	0	0	114.4	R36 T67 P75 N149 K150 R158	R36-E71 IonicContact CZ-OE2 3.96Å; R36-E71 IonicContact NH1-OE2 3.8Å; R36-E71 PolarHBondContact NH1-OE2 3.08Å; R36-E71 IonicContact NH2-OE2 3.73Å; R36-E71 PolarHBondContact NH2-OE2 3.29Å; T67-E71 PolarHBondContact O-N 3.06Å; E71-P75 HydrophobicContact CB-CB 3.94Å; E71-P75 HydrophobicContact CB-CG 3.6Å; E71-P75 WeakPolarHBondContact O-CD 3.39Å; E71-P75 VanDerWaalsContact O-CG 3.26Å; E71-P75 WeakPolarHBondContact O-CG 3.3Å; E71-P75 WeakPolarHBondContact OE2-CB 3.44Å; E71-N149 VanDerWaalsContact OE1-CA 3.32Å; E71-N149 WeakPolarHBondContact OE1-CA 3.47Å; E71-K150 PolarHBondContact OE1-N 3.33Å; E71-R158 VanDerWaalsContact CD-NH1 3.35Å; E71-R158 IonicContact OE1-CZ 3.45Å; E71-R158 IonicContact OE1-NH1 3.85Å; E71-R158 PolarHBondContact OE1-NH1 3.24Å; E71-R158 IonicContact OE1-NH2 3.98Å; E71-R158 PolarHBondContact OE1-NH2 2.88Å; E71-R158 IonicContact OE2-CZ 3.51Å; E71-R158 IonicContact OE2-NH1 3.81Å; E71-R158 PolarHBondContact OE2-NH1 3.1Å; E71-R158 VanDerWaalsContact OE2-NH1 3.11Å; E71-R158 IonicContact OE2-NH2 3.66Å; E71-R158 PolarHBondContact OE2-NH2 3.47Å
72	G	93.7	Very high	95.8	Very high	27 Å²	27	57.8 Å²	57.8	28%	0.278	28%	0.282	S	S	.	.			trans	80.7	-163.3	-174.8	0	0	0	0	0	113.4	F68	F68-G72 WeakPolarHBondContact O-CA 3.18Å; F68-G72 PolarHBondContact O-N 2.95Å
73	I	96.2	Very high	95.7	Very high	104 Å²	104	55.7 Å²	55.7	53%	0.533	27%	0.271	S	S	.	.	S	Bend	trans	-83.4	-41.6	-172.8	-166.3	164.9	0	0	0	114	F68 P75 F76 W77	F68-I73 HydrophobicContact CD2-CB 4.46Å; F68-I73 HydrophobicContact CE2-CB 4.22Å; I73-P75 VanDerWaalsContact C-CD 3.42Å; I73-P75 VanDerWaalsContact C-N 3.32Å; I73-F76 WeakPolarHBondContact O-CB 3.26Å; I73-F76 VanDerWaalsContact O-CD2 3.27Å; I73-F76 WeakPolarHBondContact O-CD2 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å; I73-F76 VanDerWaalsContact O-N 3.15Å; I73-W77 HydrophobicContact CG1-CZ3 4.25Å
74	L	95.9	Very high	95.6	Very high	145 Å²	145	56.3 Å²	56.3	76%	0.759	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-57.1	-37.4	-175	-66.7	-179.9	0	0	0	114.1	F76 W77	L74-F76 PolarHBondContact O-N 3.17Å; L74-W77 PolarHBondContact O-N 2.93Å; L74-W77 VanDerWaalsContact O-N 3.16Å
75	P	95	Very high	95.5	Very high	18 Å²	18	57.1 Å²	57.1	12%	0.117	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.3	-21	-179.1	-32.2	44.2	0	0	0	114.2	R36 E71 I73 W77 R78	R36-P75 WeakPolarHBondContact CD-O 3.4Å; R36-P75 PolarHBondContact NE-O 3.42Å; R36-P75 VanDerWaalsContact NE-O 3.12Å; R36-P75 PolarHBondContact NH1-O 3.08Å; E71-P75 HydrophobicContact CB-CB 3.94Å; E71-P75 HydrophobicContact CB-CG 3.6Å; E71-P75 WeakPolarHBondContact O-CD 3.39Å; E71-P75 VanDerWaalsContact O-CG 3.26Å; E71-P75 WeakPolarHBondContact O-CG 3.3Å; E71-P75 WeakPolarHBondContact OE2-CB 3.44Å; I73-P75 VanDerWaalsContact C-CD 3.42Å; I73-P75 VanDerWaalsContact C-N 3.32Å; P75-W77 PolarHBondContact O-N 3.14Å; P75-R78 WeakPolarHBondContact O-CB 3.41Å; P75-R78 PolarHBondContact O-N 3.35Å
76	F	97.5	Very high	95.4	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.075	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54	-21.5	175.1	-77.6	-72.6	0	0	0	114.1	P33 R36 V37 T64 T67 F68 I73 L74	P33-F76 HydrophobicContact CB-CB 3.91Å; P33-F76 HydrophobicContact CB-CD1 4.28Å; P33-F76 HydrophobicContact CB-CG 4.32Å; P33-F76 HydrophobicContact CG-CB 4.15Å; R36-F76 VanDerWaalsContact CB-O 3.32Å; R36-F76 WeakPolarHBondContact CB-O 3.11Å; R36-F76 WeakPolarHBondContact CD-O 3.38Å; V37-F76 HydrophobicContact CG2-CD1 4.14Å; V37-F76 HydrophobicContact CG2-CE1 3.76Å; T64-F76 HydrophobicContact CG2-CE1 4.12Å; T64-F76 HydrophobicContact CG2-CZ 3.9Å; T64-F76 WeakPolarHBondContact O-CZ 3.26Å; T67-F76 HydrophobicContact CG2-CD1 4.43Å; T67-F76 HydrophobicContact CG2-CE1 3.96Å; T67-F76 HydrophobicContact CG2-CE2 4.4Å; T67-F76 HydrophobicContact CG2-CZ 3.94Å; F68-F76 HydrophobicContact CB-CE2 4.04Å; F68-F76 HydrophobicContact CB-CZ 4.23Å; F68-F76 HydrophobicContact CD2-CE2 4.34Å; I73-F76 WeakPolarHBondContact O-CB 3.26Å; I73-F76 VanDerWaalsContact O-CD2 3.27Å; I73-F76 WeakPolarHBondContact O-CD2 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å; I73-F76 VanDerWaalsContact O-N 3.15Å; L74-F76 PolarHBondContact O-N 3.17Å
77	W	97.8	Very high	95.1	Very high	97 Å²	97	55.2 Å²	55.2	37%	0.367	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-96.3	4.7	174.5	-73.4	-94.3	0	0	0	114.6	T29 A32 P33 I73 L74 P75 G79 N80	T29-W77 PolarHBondContact O-NE1 2.93Å; A32-W77 VanDerWaalsContact CB-CD1 3.5Å; A32-W77 HydrophobicContact CB-CG 4.25Å; P33-W77 HydrophobicContact CG-CD2 4.25Å; P33-W77 HydrophobicContact CG-CE3 4.44Å; P33-W77 HydrophobicContact CG-CH2 3.72Å; P33-W77 HydrophobicContact CG-CZ2 3.45Å; P33-W77 VanDerWaalsContact CG-CZ2 3.45Å; P33-W77 HydrophobicContact CG-CZ3 4.2Å; I73-W77 HydrophobicContact CG1-CZ3 4.25Å; L74-W77 PolarHBondContact O-N 2.93Å; L74-W77 VanDerWaalsContact O-N 3.16Å; P75-W77 PolarHBondContact O-N 3.14Å; W77-G79 PolarHBondContact O-N 3.13Å; W77-N80 HydrophobicContact CB-CB 4.4Å; W77-N80 WeakPolarHBondContact O-CB 3.46Å; W77-N80 PolarHBondContact O-N 3.42Å
78	R	97.5	Very high	94.9	Very high	49 Å²	49	59.1 Å²	59.1	19%	0.185	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	125.3	179.9	-167.9	177.8	176.7	74	1.3	110.2	P75 L145 A146 D148 R158 F160	P75-R78 WeakPolarHBondContact O-CB 3.41Å; P75-R78 PolarHBondContact O-N 3.35Å; R78-L145 VanDerWaalsContact CD-O 3.26Å; R78-L145 WeakPolarHBondContact CD-O 3.49Å; R78-L145 HydrophobicContact CG-CB 4.48Å; R78-L145 VanDerWaalsContact CG-O 3.31Å; R78-L145 WeakPolarHBondContact CG-O 3.21Å; R78-L145 PolarHBondContact NE-O 3.34Å; R78-A146 WeakPolarHBondContact O-CA 3.41Å; R78-D148 IonicContact CZ-OD2 2.7Å; R78-D148 PolarHBondContact NE-O 3.02Å; R78-D148 IonicContact NE-OD2 3.69Å; R78-D148 IonicContact NH2-OD2 3.98Å; R78-D148 PolarHBondContact NH2-OD2 3.3Å; R78-R158 VanDerWaalsContact NH2-CD 3.34Å; R78-F160 PolarHBondContact NH2-O 3.01Å
79	G	96.6	Very high	94.6	Very high	9 Å²	9	55.5 Å²	55.5	9%	0.093	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	0.1	-172.2	0	0	0	0	0	114.5	W77 P82 R142	W77-G79 PolarHBondContact O-N 3.13Å; G79-P82 WeakPolarHBondContact O-CD 3Å; G79-P82 VanDerWaalsContact O-CG 3.27Å; G79-P82 WeakPolarHBondContact O-CG 3.14Å; G79-R142 WeakPolarHBondContact O-CG 3.37Å
80	N	96.9	Very high	94.5	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-33.3	176.4	-170.3	48.6	0	0	0	112.9	K28 T29 A32 W77 N83 C84	K28-N80 PolarHBondContact O-OD1 3.41Å; T29-N80 PolarHBondContact OG1-ND2 3.29Å; A32-N80 HydrophobicContact CB-CB 3.97Å; W77-N80 HydrophobicContact CB-CB 4.4Å; W77-N80 WeakPolarHBondContact O-CB 3.46Å; W77-N80 PolarHBondContact O-N 3.42Å; N80-N83 CarbonylContact O-C 3.59Å; N80-N83 WeakPolarHBondContact O-CA 3.26Å; N80-N83 VanDerWaalsContact O-CB 3.23Å; N80-N83 WeakPolarHBondContact O-CB 3.26Å; N80-N83 PolarHBondContact O-N 3.46Å; N80-C84 PolarHBondContact ND2-SG 3.41Å; N80-C84 PolarHBondContact O-N 3.05Å; N80-C84 PolarHBondContact O-SG 2.89Å
81	L	96.8	Very high	94.4	Very high	105 Å²	105	43.6 Å²	43.6	55%	0.55	22%	0.224	S	C	.	.	H	α-helix	trans	-53	-55.4	178.6	177.6	62.2	0	0	0	113.3	N83 C84 L85	L81-N83 PolarHBondContact O-N 2.99Å; L81-C84 PolarHBondContact O-N 3.48Å; L81-C84 VanDerWaalsContact O-N 3.13Å; L81-L85 HydrophobicContact CD1-CD1 4.06Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 3.98Å; L81-L85 HydrophobicContact CG-CG 4.37Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.5Å
82	P	97.3	Very high	94.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-28.9	176.3	22.5	-33.3	0	0	0	113	G79 R86 L138 A141 R142 L145 L163	G79-P82 WeakPolarHBondContact O-CD 3Å; G79-P82 VanDerWaalsContact O-CG 3.27Å; G79-P82 WeakPolarHBondContact O-CG 3.14Å; P82-R86 WeakPolarHBondContact O-CB 3.31Å; P82-R86 PolarHBondContact O-N 2.84Å; P82-L138 HydrophobicContact CB-CB 4.47Å; P82-L138 HydrophobicContact CB-CD2 4.14Å; P82-A141 HydrophobicContact CB-CB 4.46Å; P82-R142 HydrophobicContact CB-CB 4.32Å; P82-R142 HydrophobicContact CG-CB 3.88Å; P82-L145 HydrophobicContact CG-CD1 4.21Å; P82-L163 HydrophobicContact CB-CD1 4.02Å; P82-L163 HydrophobicContact CG-CD1 4.35Å
83	N	94.8	Very high	94.2	Very high	6 Å²	6	45 Å²	45	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-42	174	-175.8	42.3	0	0	0	112.5	K28 N80 L81 R142	K28-N83 WeakPolarHBondContact CD-O 3.17Å; N80-N83 CarbonylContact O-C 3.59Å; N80-N83 WeakPolarHBondContact O-CA 3.26Å; N80-N83 VanDerWaalsContact O-CB 3.23Å; N80-N83 WeakPolarHBondContact O-CB 3.26Å; N80-N83 PolarHBondContact O-N 3.46Å; L81-N83 PolarHBondContact O-N 2.99Å; N83-R142 PolarHBondContact ND2-NH2 3.3Å; N83-R142 PolarHBondContact OD1-NH1 3.49Å; N83-R142 PolarHBondContact OD1-NH2 2.96Å
84	C	95.4	Very high	93.8	Very high	13 Å²	13	42.5 Å²	42.5	9%	0.088	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-48.3	174.5	-67.5	0	0	0	0	111	V25 N80 L81 R86 Y87	V25-C84 HydrophobicContact CG1-CB 4.4Å; V25-C84 HydrophobicContact CG2-CB 4.22Å; N80-C84 PolarHBondContact ND2-SG 3.41Å; N80-C84 PolarHBondContact O-N 3.05Å; N80-C84 PolarHBondContact O-SG 2.89Å; L81-C84 PolarHBondContact O-N 3.48Å; L81-C84 VanDerWaalsContact O-N 3.13Å; C84-R86 PolarHBondContact O-N 2.88Å; C84-Y87 VanDerWaalsContact O-CB 3.3Å; C84-Y87 WeakPolarHBondContact O-CB 3.23Å; C84-Y87 PolarHBondContact O-N 2.94Å; C84-Y87 VanDerWaalsContact O-N 3.1Å
85	L	95.2	Very high	93.3	Very high	70 Å²	70	43.4 Å²	43.4	37%	0.366	22%	0.219	S	C	.	.	H	α-helix	trans	-58	-35	178.5	-72.1	174.7	0	0	0	112.2	L81 Y87 F88 P89 L138 L163	L81-L85 HydrophobicContact CD1-CD1 4.06Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 3.98Å; L81-L85 HydrophobicContact CG-CG 4.37Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.5Å; L85-Y87 PolarHBondContact O-N 3.36Å; L85-Y87 VanDerWaalsContact O-N 3.13Å; L85-F88 PolarHBondContact O-N 3.02Å; L85-P89 WeakPolarHBondContact O-CD 3.39Å; L85-L138 HydrophobicContact CB-CD2 4.49Å; L85-L163 HydrophobicContact CD1-CD2 3.63Å
86	R	94	Very high	93.1	Very high	40 Å²	40	45 Å²	45	15%	0.151	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.4	179.2	-167.6	177.3	60.6	71.6	2.7	113.6	P82 C84 P89 T90 V135 L138 D139	P82-R86 WeakPolarHBondContact O-CB 3.31Å; P82-R86 PolarHBondContact O-N 2.84Å; C84-R86 PolarHBondContact O-N 2.88Å; R86-P89 WeakPolarHBondContact O-CD 3.27Å; R86-T90 WeakPolarHBondContact O-CB 3.28Å; R86-T90 PolarHBondContact O-N 3.12Å; R86-T90 PolarHBondContact O-OG1 3.13Å; R86-V135 HydrophobicContact CG-CB 4.03Å; R86-V135 HydrophobicContact CG-CG2 4.35Å; R86-L138 HydrophobicContact CB-CB 4.34Å; R86-L138 HydrophobicContact CB-CD1 4.08Å; R86-L138 HydrophobicContact CG-CB 4.48Å; R86-L138 HydrophobicContact CG-CD1 4.43Å; R86-D139 VanDerWaalsContact CD-OD1 3.31Å; R86-D139 WeakPolarHBondContact CD-OD1 3.44Å; R86-D139 IonicContact NE-OD1 2.78Å; R86-D139 PolarHBondContact NE-OD1 3.42Å
87	Y	90.2	Very high	92.7	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-52.3	179.2	-179	-98.4	0	0	0	111.8	E3 S20 G21 A24 C84 L85 T90 Q91	E3-Y87 HydrophobicContact CB-CD2 4.29Å; E3-Y87 HydrophobicContact CB-CE2 3.83Å; E3-Y87 WeakPolarHBondContact O-CE2 3.33Å; E3-Y87 PolarHBondContact O-OH 3.47Å; E3-Y87 WeakPolarHBondContact OE2-CD2 3.42Å; S20-Y87 PolarHBondContact O-OH 3.47Å; G21-Y87 VanDerWaalsContact CA-CE1 3.46Å; A24-Y87 HydrophobicContact CB-CD1 4.38Å; A24-Y87 HydrophobicContact CB-CD2 3.37Å; A24-Y87 HydrophobicContact CB-CE1 4.32Å; A24-Y87 HydrophobicContact CB-CE2 3.27Å; A24-Y87 HydrophobicContact CB-CG 3.93Å; C84-Y87 VanDerWaalsContact O-CB 3.3Å; C84-Y87 WeakPolarHBondContact O-CB 3.23Å; C84-Y87 PolarHBondContact O-N 2.94Å; C84-Y87 VanDerWaalsContact O-N 3.1Å; L85-Y87 PolarHBondContact O-N 3.36Å; L85-Y87 VanDerWaalsContact O-N 3.13Å; Y87-T90 WeakPolarHBondContact O-CB 3.2Å; Y87-T90 PolarHBondContact O-N 2.74Å; Y87-Q91 HydrophobicContact CD1-CG 4.02Å; Y87-Q91 HydrophobicContact CD2-CG 4.45Å; Y87-Q91 HydrophobicContact CE1-CG 3.58Å; Y87-Q91 HydrophobicContact CE2-CG 4.08Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.26Å; Y87-Q91 HydrophobicContact CG-CG 4.44Å; Y87-Q91 VanDerWaalsContact CZ-NE2 3.31Å; Y87-Q91 WeakPolarHBondContact O-CG 3.26Å; Y87-Q91 PolarHBondContact O-N 3.24Å; Y87-Q91 PolarHBondContact OH-NE2 2.91Å
88	F	89	Confident	92	Very high	83 Å²	83	49.2 Å²	49.2	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-51.8	-174.2	-57.2	-80.3	0	0	0	114.6	F17 V25 L85 T90 Q91 A92	F17-F88 HydrophobicContact CE1-CD1 4.19Å; F17-F88 HydrophobicContact CE1-CE1 4.38Å; F17-F88 AromaticContact CZ-CD1 3.94Å; F17-F88 HydrophobicContact CZ-CD1 3.94Å; V25-F88 HydrophobicContact CG2-CE2 4.49Å; L85-F88 PolarHBondContact O-N 3.02Å; F88-T90 VanDerWaalsContact C-N 3.27Å; F88-T90 PolarHBondContact O-N 2.8Å; F88-Q91 PolarHBondContact O-N 2.88Å; F88-Q91 VanDerWaalsContact O-N 3.15Å; F88-A92 PolarHBondContact O-N 3.01Å
89	P	91.5	Very high	91.5	Very high	42 Å²	42	52.3 Å²	52.3	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-32.3	176.3	27.6	-33.4	0	0	0	111.3	L85 R86 Q91 A92 L93 V135 L138	L85-P89 WeakPolarHBondContact O-CD 3.39Å; R86-P89 WeakPolarHBondContact O-CD 3.27Å; P89-Q91 VanDerWaalsContact C-N 3.31Å; P89-Q91 PolarHBondContact O-N 2.89Å; P89-A92 PolarHBondContact O-N 2.94Å; P89-L93 WeakPolarHBondContact O-CB 3.27Å; P89-L93 WeakPolarHBondContact O-CD1 3.44Å; P89-L93 WeakPolarHBondContact O-CG 3.46Å; P89-L93 PolarHBondContact O-N 2.96Å; P89-V135 HydrophobicContact CB-CG1 3.91Å; P89-V135 HydrophobicContact CG-CG1 3.89Å; P89-L138 HydrophobicContact CG-CD1 4.12Å
90	T	91.2	Very high	91.2	Very high	22 Å²	22	58.6 Å²	58.6	14%	0.135	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-42.6	173	-56	0	0	0	0	111	R86 Y87 F88 L93 N94	R86-T90 WeakPolarHBondContact O-CB 3.28Å; R86-T90 PolarHBondContact O-N 3.12Å; R86-T90 PolarHBondContact O-OG1 3.13Å; Y87-T90 WeakPolarHBondContact O-CB 3.2Å; Y87-T90 PolarHBondContact O-N 2.74Å; F88-T90 VanDerWaalsContact C-N 3.27Å; F88-T90 PolarHBondContact O-N 2.8Å; T90-L93 PolarHBondContact O-N 2.83Å; T90-N94 PolarHBondContact O-N 3.46Å; T90-N94 PolarHBondContact O-ND2 3.37Å; T90-N94 VanDerWaalsContact O-ND2 3.09Å
91	Q	88.7	Confident	90.7	Very high	29 Å²	29	58.7 Å²	58.7	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-42.1	176.1	-66.3	-57.6	-10.7	0	0	112.4	E3 F17 Y87 F88 P89 L93 N94 F95	E3-Q91 PolarHBondContact O-NE2 3.44Å; F17-Q91 HydrophobicContact CE2-CB 4.14Å; Y87-Q91 HydrophobicContact CD1-CG 4.02Å; Y87-Q91 HydrophobicContact CD2-CG 4.45Å; Y87-Q91 HydrophobicContact CE1-CG 3.58Å; Y87-Q91 HydrophobicContact CE2-CG 4.08Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.26Å; Y87-Q91 HydrophobicContact CG-CG 4.44Å; Y87-Q91 VanDerWaalsContact CZ-NE2 3.31Å; Y87-Q91 WeakPolarHBondContact O-CG 3.26Å; Y87-Q91 PolarHBondContact O-N 3.24Å; Y87-Q91 PolarHBondContact OH-NE2 2.91Å; F88-Q91 PolarHBondContact O-N 2.88Å; F88-Q91 VanDerWaalsContact O-N 3.15Å; P89-Q91 VanDerWaalsContact C-N 3.31Å; P89-Q91 PolarHBondContact O-N 2.89Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.22Å; Q91-N94 PolarHBondContact O-N 3.03Å; Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 2.86Å
92	A	89.7	Confident	90	Very high	58 Å²	58	60.3 Å²	60.3	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-40.8	176	0	0	0	0	0	111.9	F88 P89 F95 A96	F88-A92 PolarHBondContact O-N 3.01Å; P89-A92 PolarHBondContact O-N 2.94Å; A92-F95 PolarHBondContact O-N 3.38Å; A92-A96 VanDerWaalsContact O-CB 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 2.9Å
93	L	91.3	Very high	89.5	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-40.2	177.5	-66	164.5	0	0	0	112	P89 T90 Q91 F95 A96 F97 F134 V135	P89-L93 WeakPolarHBondContact O-CB 3.27Å; P89-L93 WeakPolarHBondContact O-CD1 3.44Å; P89-L93 WeakPolarHBondContact O-CG 3.46Å; P89-L93 PolarHBondContact O-N 2.96Å; T90-L93 PolarHBondContact O-N 2.83Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.22Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.13Å; L93-A96 PolarHBondContact O-N 3.05Å; L93-F97 HydrophobicContact CB-CD2 4.36Å; L93-F97 HydrophobicContact CD2-CD2 3.84Å; L93-F97 HydrophobicContact CD2-CE2 3.58Å; L93-F97 WeakPolarHBondContact O-CB 3.38Å; L93-F97 WeakPolarHBondContact O-CD2 3.22Å; L93-F97 PolarHBondContact O-N 3.22Å; L93-F134 HydrophobicContact CD1-CB 3.7Å; L93-F134 HydrophobicContact CD1-CD2 3.97Å; L93-F134 HydrophobicContact CD1-CG 4.12Å; L93-F134 HydrophobicContact CD2-CB 4.38Å; L93-F134 HydrophobicContact CD2-CD2 3.45Å; L93-F134 VanDerWaalsContact CD2-CD2 3.45Å; L93-F134 HydrophobicContact CD2-CE2 3.82Å; L93-F134 HydrophobicContact CD2-CG 3.91Å; L93-F134 HydrophobicContact CG-CD2 4.36Å; L93-V135 HydrophobicContact CD1-CG1 3.78Å
94	N	88	Confident	89.1	Confident	53 Å²	53	66.5 Å²	66.5	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-46	171.4	-75.7	-41.4	0	0	0	110.4	T90 Q91 K98	T90-N94 PolarHBondContact O-N 3.46Å; T90-N94 PolarHBondContact O-ND2 3.37Å; T90-N94 VanDerWaalsContact O-ND2 3.09Å; Q91-N94 PolarHBondContact O-N 3.03Å; N94-K98 WeakPolarHBondContact O-CB 2.92Å; N94-K98 PolarHBondContact O-N 2.99Å
95	F	85.7	Confident	88.6	Confident	164 Å²	164	69 Å²	69	72%	0.719	36%	0.362	S	S	*	.	H	α-helix	trans	-62.3	-45	177.6	-177.4	-99	0	0	0	112.1	Q91 A92 L93	Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 2.86Å; A92-F95 PolarHBondContact O-N 3.38Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.13Å
96	A	89.5	Confident	88	Confident	51 Å²	51	71.5 Å²	71.5	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-74.7	-32.6	-175.2	0	0	0	0	0	114.6	A92 L93	A92-A96 VanDerWaalsContact O-CB 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 2.9Å; L93-A96 PolarHBondContact O-N 3.05Å
97	F	89.1	Confident	87.4	Confident	63 Å²	63	76.3 Å²	76.3	28%	0.276	39%	0.389	S	S	.	.	H	α-helix	trans	-122.6	-11.9	-166.6	-61.5	-71.8	0	0	0	115.3	L93 D99 K100 V101 L130	L93-F97 HydrophobicContact CB-CD2 4.36Å; L93-F97 HydrophobicContact CD2-CD2 3.84Å; L93-F97 HydrophobicContact CD2-CE2 3.58Å; L93-F97 WeakPolarHBondContact O-CB 3.38Å; L93-F97 WeakPolarHBondContact O-CD2 3.22Å; L93-F97 PolarHBondContact O-N 3.22Å; F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.89Å; F97-K100 HydrophobicContact CD1-CD 4.47Å; F97-K100 PolarHBondContact O-N 3.35Å; F97-V101 HydrophobicContact CB-CG2 4.48Å; F97-V101 WeakPolarHBondContact O-CG2 3.32Å; F97-V101 PolarHBondContact O-N 3.24Å; F97-L130 HydrophobicContact CB-CD2 3.91Å; F97-L130 HydrophobicContact CD1-CD2 3.89Å; F97-L130 HydrophobicContact CD2-CD2 4.07Å; F97-L130 HydrophobicContact CE1-CD2 4.43Å; F97-L130 HydrophobicContact CG-CD2 3.69Å
98	K	84.5	Confident	87.2	Confident	139 Å²	139	80.7 Å²	80.7	60%	0.604	41%	0.413	S	S	*	.	H	α-helix	trans	-54.6	-47.6	-175.1	173.7	-177.7	177.5	-168.6	0	112.6	N94 K102	N94-K98 WeakPolarHBondContact O-CB 2.92Å; N94-K98 PolarHBondContact O-N 2.99Å; K98-K102 VanDerWaalsContact O-CB 3.23Å; K98-K102 WeakPolarHBondContact O-CB 3.45Å; K98-K102 PolarHBondContact O-N 3.33Å
99	D	85.9	Confident	87	Confident	115 Å²	115	86.5 Å²	86.5	62%	0.615	44%	0.438	S	S	*	.	H	α-helix	trans	-72.1	-36.4	-177	-65.1	-30.9	0	0	0	112.2	F97 K102 S103	F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.89Å; D99-K102 PolarHBondContact O-N 2.84Å; D99-S103 VanDerWaalsContact O-CB 3.29Å; D99-S103 WeakPolarHBondContact O-CB 3.16Å; D99-S103 PolarHBondContact O-N 2.72Å; D99-S103 PolarHBondContact O-OG 3.36Å
100	K	90	Very high	86.8	Confident	141 Å²	141	92.1 Å²	92.1	61%	0.613	47%	0.466	S	S	*	.	H	α-helix	trans	-63.8	-43.5	175.2	-64.9	-175.2	179.4	-176.8	0	112.2	F97 S103 A104	F97-K100 HydrophobicContact CD1-CD 4.47Å; F97-K100 PolarHBondContact O-N 3.35Å; K100-S103 WeakPolarHBondContact CA-OG 3.31Å; K100-S103 PolarHBondContact O-OG 2.78Å; K100-A104 WeakPolarHBondContact O-CB 3.42Å; K100-A104 PolarHBondContact O-N 2.92Å; K100-A104 VanDerWaalsContact O-N 3.12Å
101	V	86.5	Confident	86.7	Confident	19 Å²	19	92.2 Å²	92.2	12%	0.115	47%	0.465	C	S	.	.	H	α-helix	trans	-71.6	-38.4	177.5	-179.5	0	0	0	0	110.5	F97 A104 F105 S123 A127 L130	F97-V101 HydrophobicContact CB-CG2 4.48Å; F97-V101 WeakPolarHBondContact O-CG2 3.32Å; F97-V101 PolarHBondContact O-N 3.24Å; V101-A104 PolarHBondContact O-N 3.03Å; V101-F105 HydrophobicContact CG1-CD2 4.15Å; V101-F105 HydrophobicContact CG1-CE2 4.37Å; V101-F105 WeakPolarHBondContact O-CD2 3.37Å; V101-F105 PolarHBondContact O-N 3.49Å; V101-S123 WeakPolarHBondContact CG1-O 3.42Å; V101-A127 HydrophobicContact CB-CB 4.4Å; V101-A127 HydrophobicContact CG1-CB 3.86Å; V101-A127 HydrophobicContact CG2-CB 4.42Å; V101-L130 HydrophobicContact CG2-CD2 4.45Å
102	K	82.5	Confident	86.8	Confident	138 Å²	138	94.2 Å²	94.2	60%	0.6	48%	0.483	S	S	*	.	H	α-helix	trans	-64.2	-41.6	175.7	-172.2	179.8	177.4	-171	0	111.5	K98 D99 F105 Q106	K98-K102 VanDerWaalsContact O-CB 3.23Å; K98-K102 WeakPolarHBondContact O-CB 3.45Å; K98-K102 PolarHBondContact O-N 3.33Å; D99-K102 PolarHBondContact O-N 2.84Å; K102-F105 CarbonylContact O-C 3.53Å; K102-F105 PolarHBondContact O-N 3.02Å; K102-Q106 VanDerWaalsContact O-CG 3.26Å; K102-Q106 WeakPolarHBondContact O-CG 3.38Å; K102-Q106 PolarHBondContact O-N 3.31Å
103	S	86.3	Confident	86.8	Confident	64 Å²	64	96.7 Å²	96.7	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-40.2	179.1	66.6	0	0	0	0	112.2	D99 K100 F105 Q106	D99-S103 VanDerWaalsContact O-CB 3.29Å; D99-S103 WeakPolarHBondContact O-CB 3.16Å; D99-S103 PolarHBondContact O-N 2.72Å; D99-S103 PolarHBondContact O-OG 3.36Å; K100-S103 WeakPolarHBondContact CA-OG 3.31Å; K100-S103 PolarHBondContact O-OG 2.78Å; S103-F105 PolarHBondContact O-N 3.41Å; S103-Q106 WeakPolarHBondContact O-CG 3.15Å; S103-Q106 PolarHBondContact O-N 2.86Å
104	A	87.2	Confident	86.7	Confident	73 Å²	73	100.9 Å²	100.9	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-65	-23.5	179.7	0	0	0	0	0	114.1	K100 V101	K100-A104 WeakPolarHBondContact O-CB 3.42Å; K100-A104 PolarHBondContact O-N 2.92Å; K100-A104 VanDerWaalsContact O-N 3.12Å; V101-A104 PolarHBondContact O-N 3.03Å
105	F	85.5	Confident	86.9	Confident	66 Å²	66	101.5 Å²	101.5	29%	0.289	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	32.8	-177.3	-63.2	-78.3	0	0	0	112.1	V101 K102 S103 R107 V122 A126	V101-F105 HydrophobicContact CG1-CD2 4.15Å; V101-F105 HydrophobicContact CG1-CE2 4.37Å; V101-F105 WeakPolarHBondContact O-CD2 3.37Å; V101-F105 PolarHBondContact O-N 3.49Å; K102-F105 CarbonylContact O-C 3.53Å; K102-F105 PolarHBondContact O-N 3.02Å; S103-F105 PolarHBondContact O-N 3.41Å; F105-R107 PolarHBondContact O-N 3.27Å; F105-V122 HydrophobicContact CD1-CG1 4.07Å; F105-V122 HydrophobicContact CE1-CB 4.34Å; F105-V122 HydrophobicContact CE1-CG1 3.43Å; F105-V122 VanDerWaalsContact CE1-CG1 3.43Å; F105-V122 HydrophobicContact CZ-CG1 3.85Å; F105-A126 HydrophobicContact CE2-CB 3.86Å; F105-A126 HydrophobicContact CZ-CB 4.19Å
106	Q	81.7	Confident	87.1	Confident	121 Å²	121	93.7 Å²	93.7	57%	0.565	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59	135.6	-180	-77.4	177.6	-13.7	0	0	111.7	K102 S103 K119	K102-Q106 VanDerWaalsContact O-CG 3.26Å; K102-Q106 WeakPolarHBondContact O-CG 3.38Å; K102-Q106 PolarHBondContact O-N 3.31Å; S103-Q106 WeakPolarHBondContact O-CG 3.15Å; S103-Q106 PolarHBondContact O-N 2.86Å; Q106-K119 PolarHBondContact O-NZ 3.03Å; Q106-K119 VanDerWaalsContact O-NZ 3.1Å
107	R	81.3	Confident	87.1	Confident	142 Å²	142	92.9 Å²	92.9	54%	0.536	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-71.3	128.1	168.9	177.9	179	179.3	155.8	4.5	108.7	F105 D111 A116	F105-R107 PolarHBondContact O-N 3.27Å; R107-D111 WeakPolarHBondContact CA-OD2 3.15Å; R107-D111 HydrophobicContact CG-CB 4.21Å; R107-D111 PolarHBondContact NH2-O 3.47Å; R107-A116 HydrophobicContact CG-CB 4.09Å; R107-A116 VanDerWaalsContact CZ-CB 3.49Å
108	N	86	Confident	87.2	Confident	94 Å²	94	97 Å²	97	50%	0.503	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-82.6	151.7	168	-59.9	-34.3	0	0	0	109.2	D110 D111 K119	N108-D110 PolarHBondContact O-N 3.25Å; N108-D111 PolarHBondContact N-OD2 2.68Å; N108-D111 WeakPolarHBondContact O-CB 3.27Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 VanDerWaalsContact O-N 3.11Å; N108-K119 PolarHBondContact ND2-NZ 2.63Å
109	K	84.3	Confident	87.6	Confident	205 Å²	205	92.5 Å²	92.5	89%	0.891	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.3	179.5	-70	-176.1	178.9	178.2	0	112.1	D111	K109-D111 VanDerWaalsContact C-N 3.35Å
110	D	88.7	Confident	87.7	Confident	160 Å²	160	90.2 Å²	90.2	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	1	-178.1	-46.3	-51.5	0	0	0	113.6	N108 S112	N108-D110 PolarHBondContact O-N 3.25Å; D110-S112 PolarHBondContact O-N 3.44Å
111	D	88.4	Confident	87.9	Confident	24 Å²	24	84 Å²	84	13%	0.128	42%	0.417	C	S	.	.			trans	-63.7	123	177	-75.1	-19.5	0	0	0	110	R107 N108 K109 V115 A116 K119	R107-D111 WeakPolarHBondContact CA-OD2 3.15Å; R107-D111 HydrophobicContact CG-CB 4.21Å; R107-D111 PolarHBondContact NH2-O 3.47Å; N108-D111 PolarHBondContact N-OD2 2.68Å; N108-D111 WeakPolarHBondContact O-CB 3.27Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 VanDerWaalsContact O-N 3.11Å; K109-D111 VanDerWaalsContact C-N 3.35Å; D111-V115 HydrophobicContact CB-CB 4.18Å; D111-V115 HydrophobicContact CB-CG1 4.04Å; D111-A116 HydrophobicContact CB-CB 4.4Å; D111-K119 IonicContact OD1-NZ 3.69Å; D111-K119 PolarHBondContact OD1-NZ 2.91Å; D111-K119 WeakPolarHBondContact OD2-CD 3.47Å; D111-K119 WeakPolarHBondContact OD2-CE 2.99Å; D111-K119 IonicContact OD2-NZ 3.01Å; D111-K119 PolarHBondContact OD2-NZ 3.14Å
112	S	91.7	Very high	88.1	Confident	72 Å²	72	86.4 Å²	86.4	50%	0.503	43%	0.432	S	S	.	.			trans	-51.1	152.1	164.6	169.5	0	0	0	0	110.9	D110 L114 V115 A116	D110-S112 PolarHBondContact O-N 3.44Å; S112-L114 PolarHBondContact O-N 2.74Å; S112-V115 PolarHBondContact O-N 3.21Å; S112-A116 PolarHBondContact O-N 2.83Å
113	Y	87.9	Confident	88.5	Confident	110 Å²	110	80.9 Å²	80.9	43%	0.431	41%	0.411	S	S	.	.	H	α-helix	trans	-48.6	-44.9	176.5	172.9	-97.5	0	0	0	112.4	V115 A116 F117 D202	Y113-V115 PolarHBondContact O-N 3.26Å; Y113-A116 PolarHBondContact O-N 2.76Å; Y113-F117 VanDerWaalsContact O-CB 3.28Å; Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.16Å; Y113-D202 HydrophobicContact CE2-CB 4.3Å; Y113-D202 VanDerWaalsContact OH-CB 3.3Å; Y113-D202 WeakPolarHBondContact OH-CB 3.34Å
114	L	90	Very high	88.7	Confident	105 Å²	105	78.2 Å²	78.2	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-43	179.4	-68.9	179	0	0	0	112	S112 F117 Y118	S112-L114 PolarHBondContact O-N 2.74Å; L114-F117 PolarHBondContact O-N 2.94Å; L114-Y118 WeakPolarHBondContact O-CD2 3.43Å; L114-Y118 PolarHBondContact O-N 3.26Å
115	V	91.9	Very high	88.9	Confident	65 Å²	65	75 Å²	75	39%	0.394	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-45.7	178	176.6	0	0	0	0	110.5	D111 S112 Y113 F117 Y118 K119	D111-V115 HydrophobicContact CB-CB 4.18Å; D111-V115 HydrophobicContact CB-CG1 4.04Å; S112-V115 PolarHBondContact O-N 3.21Å; Y113-V115 PolarHBondContact O-N 3.26Å; V115-F117 VanDerWaalsContact C-N 3.34Å; V115-F117 PolarHBondContact O-N 3.05Å; V115-Y118 PolarHBondContact O-N 3.2Å; V115-K119 HydrophobicContact CG1-CD 4.24Å; V115-K119 HydrophobicContact CG1-CG 4.49Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 WeakPolarHBondContact O-CG 3.38Å; V115-K119 PolarHBondContact O-N 3.42Å
116	A	89.2	Confident	89.2	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-42.6	177.1	0	0	0	0	0	112.1	R107 D111 S112 Y113 K119 N120	R107-A116 HydrophobicContact CG-CB 4.09Å; R107-A116 VanDerWaalsContact CZ-CB 3.49Å; D111-A116 HydrophobicContact CB-CB 4.4Å; S112-A116 PolarHBondContact O-N 2.83Å; Y113-A116 PolarHBondContact O-N 2.76Å; A116-K119 PolarHBondContact O-N 3.18Å; A116-N120 WeakPolarHBondContact O-CB 3.25Å; A116-N120 PolarHBondContact O-N 3.28Å; A116-N120 PolarHBondContact O-ND2 3.34Å
117	F	90.6	Very high	89.7	Confident	34 Å²	34	69.3 Å²	69.3	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-51.5	174.8	172.5	-99.1	0	0	0	111.4	Y113 L114 V115 K119 N120 V121 G195 F198	Y113-F117 VanDerWaalsContact O-CB 3.28Å; Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.16Å; L114-F117 PolarHBondContact O-N 2.94Å; V115-F117 VanDerWaalsContact C-N 3.34Å; V115-F117 PolarHBondContact O-N 3.05Å; F117-K119 PolarHBondContact O-N 2.9Å; F117-N120 WeakPolarHBondContact O-CB 3.18Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-V121 HydrophobicContact CD1-CG2 4.44Å; F117-V121 HydrophobicContact CD2-CG2 4.37Å; F117-V121 HydrophobicContact CE1-CG2 4.02Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 2.9Å; F117-G195 WeakPolarHBondContact CZ-O 3.28Å; F117-F198 HydrophobicContact CD2-CB 4.18Å; F117-F198 HydrophobicContact CE2-CB 3.74Å
118	Y	91.7	Very high	90.2	Very high	148 Å²	148	63.2 Å²	63.2	58%	0.58	34%	0.335	S	S	*	.	H	α-helix	trans	-60.3	-43.5	177.8	-81.1	-64.3	0	0	0	112.2	L114 V115 N120 V121 V122	L114-Y118 WeakPolarHBondContact O-CD2 3.43Å; L114-Y118 PolarHBondContact O-N 3.26Å; V115-Y118 PolarHBondContact O-N 3.2Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-N120 PolarHBondContact O-N 3.19Å; Y118-V121 PolarHBondContact O-N 2.95Å; Y118-V122 WeakPolarHBondContact O-CB 3.36Å; Y118-V122 VanDerWaalsContact O-CG2 3.3Å; Y118-V122 WeakPolarHBondContact O-CG2 3.09Å; Y118-V122 PolarHBondContact O-N 3.45Å
119	K	91.2	Very high	90.6	Very high	45 Å²	45	60 Å²	60	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-43.8	175	-76.8	-179.6	175.2	-177.8	0	111.8	Q106 N108 D111 V115 A116 F117 S123	Q106-K119 PolarHBondContact O-NZ 3.03Å; Q106-K119 VanDerWaalsContact O-NZ 3.1Å; N108-K119 PolarHBondContact ND2-NZ 2.63Å; D111-K119 IonicContact OD1-NZ 3.69Å; D111-K119 PolarHBondContact OD1-NZ 2.91Å; D111-K119 WeakPolarHBondContact OD2-CD 3.47Å; D111-K119 WeakPolarHBondContact OD2-CE 2.99Å; D111-K119 IonicContact OD2-NZ 3.01Å; D111-K119 PolarHBondContact OD2-NZ 3.14Å; V115-K119 HydrophobicContact CG1-CD 4.24Å; V115-K119 HydrophobicContact CG1-CG 4.49Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 WeakPolarHBondContact O-CG 3.38Å; V115-K119 PolarHBondContact O-N 3.42Å; A116-K119 PolarHBondContact O-N 3.18Å; F117-K119 PolarHBondContact O-N 2.9Å; K119-S123 WeakPolarHBondContact O-CB 3.26Å; K119-S123 PolarHBondContact O-N 3.44Å
120	N	89.5	Confident	91	Very high	68 Å²	68	53 Å²	53	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.9	-76.7	-27	0	0	0	112.4	A116 F117 Y118 G124	A116-N120 WeakPolarHBondContact O-CB 3.25Å; A116-N120 PolarHBondContact O-N 3.28Å; A116-N120 PolarHBondContact O-ND2 3.34Å; F117-N120 WeakPolarHBondContact O-CB 3.18Å; F117-N120 PolarHBondContact O-N 2.95Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-N120 PolarHBondContact O-N 3.19Å; N120-G124 PolarHBondContact O-N 2.97Å
121	V	92.7	Very high	91.3	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-47.7	178.4	173.7	0	0	0	0	110.9	F117 Y118 G124 G125 I191 F198	F117-V121 HydrophobicContact CD1-CG2 4.44Å; F117-V121 HydrophobicContact CD2-CG2 4.37Å; F117-V121 HydrophobicContact CE1-CG2 4.02Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 2.9Å; Y118-V121 PolarHBondContact O-N 2.95Å; V121-G124 PolarHBondContact O-N 2.88Å; V121-G125 PolarHBondContact O-N 2.81Å; V121-I191 HydrophobicContact CG1-CG2 3.93Å; V121-F198 HydrophobicContact CG2-CD2 4.36Å
122	V	91.5	Very high	91.6	Very high	70 Å²	70	45.8 Å²	45.8	42%	0.424	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-42.3	179.8	175.7	0	0	0	0	111.1	F105 Y118 G124 G125 A126	F105-V122 HydrophobicContact CD1-CG1 4.07Å; F105-V122 HydrophobicContact CE1-CB 4.34Å; F105-V122 HydrophobicContact CE1-CG1 3.43Å; F105-V122 VanDerWaalsContact CE1-CG1 3.43Å; F105-V122 HydrophobicContact CZ-CG1 3.85Å; Y118-V122 WeakPolarHBondContact O-CB 3.36Å; Y118-V122 VanDerWaalsContact O-CG2 3.3Å; Y118-V122 WeakPolarHBondContact O-CG2 3.09Å; Y118-V122 PolarHBondContact O-N 3.45Å; V122-G124 PolarHBondContact O-N 2.64Å; V122-G125 PolarHBondContact O-N 2.84Å; V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.34Å
123	S	91.3	Very high	91.8	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-48.7	174.3	-174.4	0	0	0	0	111.6	V101 K119 G125 A126 A127	V101-S123 WeakPolarHBondContact CG1-O 3.42Å; K119-S123 WeakPolarHBondContact O-CB 3.26Å; K119-S123 PolarHBondContact O-N 3.44Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.23Å; S123-A126 PolarHBondContact O-N 3.08Å; S123-A127 WeakPolarHBondContact O-CB 3.3Å; S123-A127 PolarHBondContact O-N 3.09Å
124	G	89.4	Confident	92.1	Very high	9 Å²	9	45.5 Å²	45.5	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-38.1	176.6	0	0	0	0	0	112.9	N120 V121 V122 G128	N120-G124 PolarHBondContact O-N 2.97Å; V121-G124 PolarHBondContact O-N 2.88Å; V122-G124 PolarHBondContact O-N 2.64Å; G124-G128 PolarHBondContact O-N 3.01Å
125	G	92.2	Very high	92.4	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-48.8	173.9	0	0	0	0	0	112.4	V121 V122 S123 G128 A129	V121-G125 PolarHBondContact O-N 2.81Å; V122-G125 PolarHBondContact O-N 2.84Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.23Å; G125-G128 PolarHBondContact O-N 3.26Å; G125-A129 WeakPolarHBondContact O-CB 3.34Å; G125-A129 PolarHBondContact O-N 3.21Å
126	A	92	Very high	92.7	Very high	37 Å²	37	37.6 Å²	37.6	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-46.8	178.4	0	0	0	0	0	111.8	F105 V122 S123 G128 A129 L130	F105-A126 HydrophobicContact CE2-CB 3.86Å; F105-A126 HydrophobicContact CZ-CB 4.19Å; V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.34Å; S123-A126 PolarHBondContact O-N 3.08Å; A126-G128 VanDerWaalsContact C-N 3.28Å; A126-G128 PolarHBondContact O-N 2.96Å; A126-A129 PolarHBondContact O-N 2.87Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 PolarHBondContact O-N 3.4Å
127	A	92	Very high	93.1	Very high	32 Å²	32	38.3 Å²	38.3	26%	0.264	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-43.3	174	0	0	0	0	0	111.6	V101 S123 S131	V101-A127 HydrophobicContact CB-CB 4.4Å; V101-A127 HydrophobicContact CG1-CB 3.86Å; V101-A127 HydrophobicContact CG2-CB 4.42Å; S123-A127 WeakPolarHBondContact O-CB 3.3Å; S123-A127 PolarHBondContact O-N 3.09Å; A127-S131 WeakPolarHBondContact O-CB 3.34Å; A127-S131 PolarHBondContact O-N 2.89Å; A127-S131 PolarHBondContact O-OG 3.06Å
128	G	92.6	Very high	93.4	Very high	14 Å²	14	37.9 Å²	37.9	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-47.8	177.7	0	0	0	0	0	112.6	G124 G125 A126 S131 L132	G124-G128 PolarHBondContact O-N 3.01Å; G125-G128 PolarHBondContact O-N 3.26Å; A126-G128 VanDerWaalsContact C-N 3.28Å; A126-G128 PolarHBondContact O-N 2.96Å; G128-S131 WeakPolarHBondContact O-CB 3.37Å; G128-S131 PolarHBondContact O-N 3.26Å; G128-L132 WeakPolarHBondContact O-CG 3.4Å; G128-L132 PolarHBondContact O-N 3.09Å
129	A	93.9	Very high	93.7	Very high	26 Å²	26	31.3 Å²	31.3	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-45	177.9	0	0	0	0	0	111.9	G125 A126 S131 L132 V133 C187	G125-A129 WeakPolarHBondContact O-CB 3.34Å; G125-A129 PolarHBondContact O-N 3.21Å; A126-A129 PolarHBondContact O-N 2.87Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.38Å; A129-L132 WeakPolarHBondContact O-CB 3.18Å; A129-L132 PolarHBondContact O-N 3.15Å; A129-V133 PolarHBondContact O-N 2.92Å; A129-C187 HydrophobicContact CB-CB 4.3Å
130	L	93.1	Very high	94.1	Very high	57 Å²	57	29.1 Å²	29.1	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-58.7	-45	174	178.5	61.9	0	0	0	111	F97 V101 A126 L132 V133 F134	F97-L130 HydrophobicContact CB-CD2 3.91Å; F97-L130 HydrophobicContact CD1-CD2 3.89Å; F97-L130 HydrophobicContact CD2-CD2 4.07Å; F97-L130 HydrophobicContact CE1-CD2 4.43Å; F97-L130 HydrophobicContact CG-CD2 3.69Å; V101-L130 HydrophobicContact CG2-CD2 4.45Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 PolarHBondContact O-N 3.4Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.36Å; L130-V133 WeakPolarHBondContact O-CB 3.23Å; L130-V133 PolarHBondContact O-N 2.9Å; L130-F134 HydrophobicContact CD1-CE2 4.22Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å
131	S	94	Very high	94.5	Very high	21 Å²	21	25.9 Å²	25.9	15%	0.147	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-44.2	176.8	-60.6	0	0	0	0	111.3	A127 G128 A129 V133 F134 V135	A127-S131 WeakPolarHBondContact O-CB 3.34Å; A127-S131 PolarHBondContact O-N 2.89Å; A127-S131 PolarHBondContact O-OG 3.06Å; G128-S131 WeakPolarHBondContact O-CB 3.37Å; G128-S131 PolarHBondContact O-N 3.26Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.38Å; S131-V133 PolarHBondContact O-N 3.26Å; S131-F134 PolarHBondContact O-N 3.16Å; S131-F134 VanDerWaalsContact O-N 3.12Å; S131-V135 WeakPolarHBondContact O-CG2 3.26Å; S131-V135 PolarHBondContact O-N 3.47Å
132	L	95.7	Very high	94.8	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-33.4	178.6	-71.6	-171.4	0	0	0	112.3	G128 A129 L130 F134 V135 Y136 F183 I190	G128-L132 WeakPolarHBondContact O-CG 3.4Å; G128-L132 PolarHBondContact O-N 3.09Å; A129-L132 WeakPolarHBondContact O-CB 3.18Å; A129-L132 PolarHBondContact O-N 3.15Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.36Å; L132-F134 PolarHBondContact O-N 3.06Å; L132-F134 VanDerWaalsContact O-N 3.07Å; L132-V135 HydrophobicContact CD2-CG2 4.32Å; L132-V135 PolarHBondContact O-N 3.39Å; L132-Y136 HydrophobicContact CB-CD2 4.39Å; L132-Y136 HydrophobicContact CD1-CD2 4.2Å; L132-Y136 HydrophobicContact CD2-CD2 4.11Å; L132-Y136 HydrophobicContact CG-CD2 4.46Å; L132-Y136 WeakPolarHBondContact O-CA 3.44Å; L132-Y136 WeakPolarHBondContact O-CB 3.43Å; L132-Y136 PolarHBondContact O-N 2.95Å; L132-F183 HydrophobicContact CB-CD2 4.2Å; L132-F183 HydrophobicContact CB-CE2 3.55Å; L132-F183 HydrophobicContact CB-CZ 4.33Å; L132-I190 HydrophobicContact CD1-CD1 3.65Å; L132-I190 HydrophobicContact CG-CD1 3.97Å
133	V	95.6	Very high	95.1	Very high	65 Å²	65	23 Å²	23	39%	0.394	14%	0.143	S	C	.	.	H	α-helix	trans	-50.8	-40.2	177.3	176	0	0	0	0	111.3	A129 L130 S131 Y180 F183	A129-V133 PolarHBondContact O-N 2.92Å; L130-V133 WeakPolarHBondContact O-CB 3.23Å; L130-V133 PolarHBondContact O-N 2.9Å; S131-V133 PolarHBondContact O-N 3.26Å; V133-Y180 WeakPolarHBondContact O-CE1 3.46Å; V133-Y180 PolarHBondContact O-OH 3.07Å; V133-F183 HydrophobicContact CG2-CE2 4.42Å; V133-F183 HydrophobicContact CG2-CZ 3.99Å
134	F	94.6	Very high	95.4	Very high	111 Å²	111	22.1 Å²	22.1	49%	0.487	14%	0.136	S	C	.	.	H	α-helix	trans	-91.9	-36.9	-178.3	-60.4	-83.7	0	0	0	113.6	L93 L130 S131 L132	L93-F134 HydrophobicContact CD1-CB 3.7Å; L93-F134 HydrophobicContact CD1-CD2 3.97Å; L93-F134 HydrophobicContact CD1-CG 4.12Å; L93-F134 HydrophobicContact CD2-CB 4.38Å; L93-F134 HydrophobicContact CD2-CD2 3.45Å; L93-F134 VanDerWaalsContact CD2-CD2 3.45Å; L93-F134 HydrophobicContact CD2-CE2 3.82Å; L93-F134 HydrophobicContact CD2-CG 3.91Å; L93-F134 HydrophobicContact CG-CD2 4.36Å; L130-F134 HydrophobicContact CD1-CE2 4.22Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å; S131-F134 PolarHBondContact O-N 3.16Å; S131-F134 VanDerWaalsContact O-N 3.12Å; L132-F134 PolarHBondContact O-N 3.06Å; L132-F134 VanDerWaalsContact O-N 3.07Å
135	V	96.2	Very high	95.9	Very high	4 Å²	4	22 Å²	22	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-102.7	-7.8	-170.1	-51.3	0	0	0	0	114.8	R86 P89 L93 S131 L132 S137 L138 D139	R86-V135 HydrophobicContact CG-CB 4.03Å; R86-V135 HydrophobicContact CG-CG2 4.35Å; P89-V135 HydrophobicContact CB-CG1 3.91Å; P89-V135 HydrophobicContact CG-CG1 3.89Å; L93-V135 HydrophobicContact CD1-CG1 3.78Å; S131-V135 WeakPolarHBondContact O-CG2 3.26Å; S131-V135 PolarHBondContact O-N 3.47Å; L132-V135 HydrophobicContact CD2-CG2 4.32Å; L132-V135 PolarHBondContact O-N 3.39Å; V135-S137 VanDerWaalsContact C-N 3.29Å; V135-S137 PolarHBondContact O-N 3.47Å; V135-L138 PolarHBondContact O-N 3Å; V135-D139 PolarHBondContact O-N 3.28Å
136	Y	97.7	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-36	-175.5	-170.2	-92.5	0	0	0	112.9	L132 L138 D139 Y140 L179 Y180 R181 G182 F183 S186 M244	L132-Y136 HydrophobicContact CB-CD2 4.39Å; L132-Y136 HydrophobicContact CD1-CD2 4.2Å; L132-Y136 HydrophobicContact CD2-CD2 4.11Å; L132-Y136 HydrophobicContact CG-CD2 4.46Å; L132-Y136 WeakPolarHBondContact O-CA 3.44Å; L132-Y136 WeakPolarHBondContact O-CB 3.43Å; L132-Y136 PolarHBondContact O-N 2.95Å; Y136-L138 PolarHBondContact O-N 3.44Å; Y136-D139 WeakPolarHBondContact O-CB 3.41Å; Y136-D139 PolarHBondContact O-N 2.69Å; Y136-Y140 PolarHBondContact O-N 3.37Å; Y136-L179 VanDerWaalsContact CD1-O 3.26Å; Y136-L179 WeakPolarHBondContact CD1-O 3.38Å; Y136-L179 WeakPolarHBondContact CE1-O 3.23Å; Y136-Y180 AromaticContact CD1-CD1 3.97Å; Y136-Y180 HydrophobicContact CD1-CD1 3.97Å; Y136-Y180 HydrophobicContact CD1-CG 4.36Å; Y136-Y180 HydrophobicContact CG-CD1 4.3Å; Y136-R181 PolarHBondContact OH-O 2.8Å; Y136-G182 VanDerWaalsContact OH-CA 3.26Å; Y136-G182 WeakPolarHBondContact OH-CA 3.48Å; Y136-G182 PolarHBondContact OH-O 2.95Å; Y136-G182 VanDerWaalsContact OH-O 3.06Å; Y136-F183 HydrophobicContact CD1-CD2 4.44Å; Y136-F183 AromaticContact CD2-CD2 3.96Å; Y136-F183 HydrophobicContact CD2-CD2 3.96Å; Y136-F183 HydrophobicContact CE1-CB 4.36Å; Y136-F183 HydrophobicContact CE2-CB 4.44Å; Y136-F183 HydrophobicContact CE2-CD2 4.45Å; Y136-F183 AromaticContact CG-CD2 3.94Å; Y136-F183 HydrophobicContact CG-CD2 3.94Å; Y136-F183 PolarHBondContact OH-N 2.88Å; Y136-F183 VanDerWaalsContact OH-N 3.16Å; Y136-S186 VanDerWaalsContact CE2-OG 3.25Å; Y136-S186 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S186 PolarHBondContact OH-OG 3.49Å; Y136-M244 HydrophobicContact CD1-CE 4.46Å; Y136-M244 HydrophobicContact CD2-CE 4.4Å; Y136-M244 HydrophobicContact CE1-CE 3.69Å; Y136-M244 HydrophobicContact CE2-CE 3.62Å; Y136-M244 WeakPolarHBondContact OH-CE 3.5Å
137	S	97.7	Very high	96.4	Very high	17 Å²	17	20.1 Å²	20.1	12%	0.119	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-33.8	178	60.6	0	0	0	0	112.8	V135 Y140 A141 Y167	V135-S137 VanDerWaalsContact C-N 3.29Å; V135-S137 PolarHBondContact O-N 3.47Å; S137-Y140 WeakPolarHBondContact O-CB 3.27Å; S137-Y140 PolarHBondContact O-N 2.9Å; S137-A141 WeakPolarHBondContact O-CB 3.22Å; S137-A141 PolarHBondContact O-N 2.98Å; S137-Y167 WeakPolarHBondContact CB-OH 3.26Å; S137-Y167 PolarHBondContact O-OH 3.25Å; S137-Y167 PolarHBondContact OG-OH 3.01Å
138	L	97.8	Very high	96.6	Very high	24 Å²	24	18.8 Å²	18.8	13%	0.126	11%	0.106	C	C	.	.	H	α-helix	trans	-70.9	-38.6	173.4	-67.6	171.2	0	0	0	112	P82 L85 R86 P89 V135 Y136 Y140 A141 R142	P82-L138 HydrophobicContact CB-CB 4.47Å; P82-L138 HydrophobicContact CB-CD2 4.14Å; L85-L138 HydrophobicContact CB-CD2 4.49Å; R86-L138 HydrophobicContact CB-CB 4.34Å; R86-L138 HydrophobicContact CB-CD1 4.08Å; R86-L138 HydrophobicContact CG-CB 4.48Å; R86-L138 HydrophobicContact CG-CD1 4.43Å; P89-L138 HydrophobicContact CG-CD1 4.12Å; V135-L138 PolarHBondContact O-N 3Å; Y136-L138 PolarHBondContact O-N 3.44Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-A141 PolarHBondContact O-N 3.43Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.2Å; L138-R142 PolarHBondContact O-N 2.83Å
139	D	97.7	Very high	96.6	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.053	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-39.9	173.1	-86.7	-26.7	0	0	0	111.6	R86 V135 Y136 T143 R240 R241 M244	R86-D139 VanDerWaalsContact CD-OD1 3.31Å; R86-D139 WeakPolarHBondContact CD-OD1 3.44Å; R86-D139 IonicContact NE-OD1 2.78Å; R86-D139 PolarHBondContact NE-OD1 3.42Å; V135-D139 PolarHBondContact O-N 3.28Å; Y136-D139 WeakPolarHBondContact O-CB 3.41Å; Y136-D139 PolarHBondContact O-N 2.69Å; D139-T143 PolarHBondContact O-N 3Å; D139-T143 PolarHBondContact O-OG1 3.5Å; D139-R240 VanDerWaalsContact CB-NH2 3.33Å; D139-R240 IonicContact OD2-CZ 2.87Å; D139-R240 IonicContact OD2-NH1 2.96Å; D139-R240 IonicContact OD2-NH2 2.76Å; D139-R240 PolarHBondContact OD2-NH2 3.25Å; D139-R241 PolarHBondContact O-NH1 2.8Å; D139-M244 HydrophobicContact CB-CE 4.11Å
140	Y	98.6	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.2	-53.3	172	169.5	-89.9	0	0	0	110.7	Y136 S137 L138 R142 T143 R144 V166 T170 G178 L179 M244 S247	Y136-Y140 PolarHBondContact O-N 3.37Å; S137-Y140 WeakPolarHBondContact O-CB 3.27Å; S137-Y140 PolarHBondContact O-N 2.9Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 3.37Å; Y140-T143 PolarHBondContact O-N 3.03Å; Y140-R144 HydrophobicContact CD1-CG 4.08Å; Y140-R144 HydrophobicContact CD2-CG 4.45Å; Y140-R144 HydrophobicContact CE1-CG 3.56Å; Y140-R144 HydrophobicContact CE2-CG 3.99Å; Y140-R144 HydrophobicContact CG-CG 4.49Å; Y140-R144 VanDerWaalsContact CZ-CG 3.49Å; Y140-R144 WeakPolarHBondContact O-CG 3.35Å; Y140-R144 PolarHBondContact O-N 3.43Å; Y140-V166 HydrophobicContact CD1-CG1 4.31Å; Y140-V166 HydrophobicContact CE1-CG1 3.8Å; Y140-T170 HydrophobicContact CE1-CG2 4.02Å; Y140-T170 WeakPolarHBondContact CE1-OG1 3.42Å; Y140-T170 WeakPolarHBondContact OH-CG2 3.3Å; Y140-T170 PolarHBondContact OH-OG1 2.93Å; Y140-G178 VanDerWaalsContact CE2-O 3.26Å; Y140-G178 WeakPolarHBondContact CE2-O 3.42Å; Y140-L179 WeakPolarHBondContact CB-O 3.35Å; Y140-L179 HydrophobicContact CD1-CD2 3.66Å; Y140-L179 HydrophobicContact CE1-CD2 3.68Å; Y140-M244 HydrophobicContact CD2-CB 3.87Å; Y140-M244 HydrophobicContact CD2-CG 4.05Å; Y140-M244 HydrophobicContact CE2-CB 4.34Å; Y140-M244 WeakPolarHBondContact CE2-O 3.43Å; Y140-S247 VanDerWaalsContact CE2-OG 3.32Å; Y140-S247 WeakPolarHBondContact CE2-OG 3.12Å; Y140-S247 WeakPolarHBondContact OH-CB 3.49Å; Y140-S247 PolarHBondContact OH-OG 3.15Å
141	A	98.5	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-37.5	-177.6	0	0	0	0	0	112.5	P82 S137 L138 R144 L145 L163 V166 Y167	P82-A141 HydrophobicContact CB-CB 4.46Å; S137-A141 WeakPolarHBondContact O-CB 3.22Å; S137-A141 PolarHBondContact O-N 2.98Å; L138-A141 PolarHBondContact O-N 3.43Å; A141-R144 PolarHBondContact O-N 3.39Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 WeakPolarHBondContact O-CG 3.23Å; A141-L145 PolarHBondContact O-N 2.97Å; A141-L163 HydrophobicContact CB-CD1 3.41Å; A141-L163 VanDerWaalsContact CB-CD1 3.41Å; A141-V166 HydrophobicContact CB-CG1 4.11Å; A141-Y167 HydrophobicContact CB-CE2 4.38Å
142	R	98.3	Very high	94.9	Very high	19 Å²	19	22.2 Å²	22.2	7%	0.072	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-50.6	170.5	176.5	-175.5	-165.9	-172.9	7.9	111.5	E35 L39 G79 P82 N83 L138 Y140 L145 A146	E35-R142 VanDerWaalsContact CD-NH2 3.28Å; E35-R142 IonicContact OE1-CZ 4Å; E35-R142 IonicContact OE1-NE 2.76Å; E35-R142 IonicContact OE1-NH1 3.61Å; E35-R142 PolarHBondContact OE1-NH1 3.01Å; E35-R142 IonicContact OE1-NH2 2.8Å; E35-R142 PolarHBondContact OE1-NH2 3.1Å; L39-R142 HydrophobicContact CD1-CG 4.47Å; G79-R142 WeakPolarHBondContact O-CG 3.37Å; P82-R142 HydrophobicContact CB-CB 4.32Å; P82-R142 HydrophobicContact CG-CB 3.88Å; N83-R142 PolarHBondContact ND2-NH2 3.3Å; N83-R142 PolarHBondContact OD1-NH1 3.49Å; N83-R142 PolarHBondContact OD1-NH2 2.96Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.2Å; L138-R142 PolarHBondContact O-N 2.83Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 3.37Å; R142-L145 PolarHBondContact O-N 3.46Å; R142-A146 WeakPolarHBondContact O-CB 3.5Å; R142-A146 PolarHBondContact O-N 3.48Å
143	T	98.4	Very high	93.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-42.1	-179.7	-69.2	0	0	0	0	111.7	D139 Y140 N147 R241 M244 M245	D139-T143 PolarHBondContact O-N 3Å; D139-T143 PolarHBondContact O-OG1 3.5Å; Y140-T143 PolarHBondContact O-N 3.03Å; T143-N147 PolarHBondContact O-N 3.07Å; T143-N147 PolarHBondContact O-ND2 2.64Å; T143-R241 HydrophobicContact CG2-CB 4.36Å; T143-R241 WeakPolarHBondContact OG1-CD 3.39Å; T143-R241 PolarHBondContact OG1-NH1 2.99Å; T143-M244 HydrophobicContact CG2-CB 3.99Å; T143-M244 HydrophobicContact CG2-SD 4.11Å; T143-M245 HydrophobicContact CG2-CG 4.27Å; T143-M245 HydrophobicContact CG2-SD 3.86Å
144	R	98.3	Very high	92.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-51.3	174.3	-65.4	-61.3	-63.5	178.8	6.5	111.6	Y140 A141 D148 E159 F160 V166 M244 M245 S247	Y140-R144 HydrophobicContact CD1-CG 4.08Å; Y140-R144 HydrophobicContact CD2-CG 4.45Å; Y140-R144 HydrophobicContact CE1-CG 3.56Å; Y140-R144 HydrophobicContact CE2-CG 3.99Å; Y140-R144 HydrophobicContact CG-CG 4.49Å; Y140-R144 VanDerWaalsContact CZ-CG 3.49Å; Y140-R144 WeakPolarHBondContact O-CG 3.35Å; Y140-R144 PolarHBondContact O-N 3.43Å; A141-R144 PolarHBondContact O-N 3.39Å; R144-D148 WeakPolarHBondContact O-CB 3.27Å; R144-D148 PolarHBondContact O-N 3.42Å; R144-E159 IonicContact CZ-OE1 3.26Å; R144-E159 VanDerWaalsContact NH2-CD 3.31Å; R144-E159 IonicContact NH2-OE1 3.56Å; R144-E159 PolarHBondContact NH2-OE1 3.04Å; R144-E159 IonicContact NH2-OE2 3.38Å; R144-E159 PolarHBondContact NH2-OE2 3.2Å; R144-F160 HydrophobicContact CB-CD2 4.37Å; R144-F160 HydrophobicContact CB-CE2 3.91Å; R144-F160 HydrophobicContact CB-CZ 4.44Å; R144-V166 HydrophobicContact CB-CG1 4.01Å; R144-V166 HydrophobicContact CB-CG2 4.32Å; R144-V166 HydrophobicContact CG-CG1 4.05Å; R144-M244 WeakPolarHBondContact CD-O 3.39Å; R144-M245 VanDerWaalsContact NH1-CA 3.34Å; R144-M245 PolarHBondContact NH1-O 3.25Å; R144-S247 PolarHBondContact NH1-O 2.91Å
145	L	98.3	Very high	91.9	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-42.1	-176.5	-73.1	169.7	0	0	0	113.2	R78 P82 A141 R142 N147 D148 F160 V166	R78-L145 VanDerWaalsContact CD-O 3.26Å; R78-L145 WeakPolarHBondContact CD-O 3.49Å; R78-L145 HydrophobicContact CG-CB 4.48Å; R78-L145 VanDerWaalsContact CG-O 3.31Å; R78-L145 WeakPolarHBondContact CG-O 3.21Å; R78-L145 PolarHBondContact NE-O 3.34Å; P82-L145 HydrophobicContact CG-CD1 4.21Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 WeakPolarHBondContact O-CG 3.23Å; A141-L145 PolarHBondContact O-N 2.97Å; R142-L145 PolarHBondContact O-N 3.46Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.42Å; L145-D148 PolarHBondContact O-N 2.89Å; L145-F160 HydrophobicContact CD2-CB 3.84Å; L145-V166 HydrophobicContact CD1-CG2 4.28Å; L145-V166 HydrophobicContact CD2-CG2 3.68Å; L145-V166 HydrophobicContact CG-CG2 3.7Å
146	A	98	Very high	91.3	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-37.8	-176.9	0	0	0	0	0	112.2	R36 L39 R78 R142	R36-A146 HydrophobicContact CG-CB 4.39Å; R36-A146 PolarHBondContact NE-O 3.33Å; L39-A146 HydrophobicContact CB-CB 4.17Å; L39-A146 HydrophobicContact CD1-CB 3.49Å; L39-A146 VanDerWaalsContact CD1-CB 3.49Å; L39-A146 HydrophobicContact CG-CB 4.48Å; R78-A146 WeakPolarHBondContact O-CA 3.41Å; R142-A146 WeakPolarHBondContact O-CB 3.5Å; R142-A146 PolarHBondContact O-N 3.48Å
147	N	97.9	Very high	90.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.6	-178.6	-64.4	-60.2	0	0	0	114	L39 L40 N43 M47 T143 L145 N149 M245	L39-N147 PolarHBondContact O-OD1 2.85Å; L40-N147 WeakPolarHBondContact CA-OD1 3.34Å; L40-N147 PolarHBondContact N-OD1 3.36Å; N43-N147 PolarHBondContact ND2-ND2 3.16Å; M47-N147 VanDerWaalsContact CE-O 3.31Å; M47-N147 WeakPolarHBondContact CE-O 3.32Å; M47-N147 HydrophobicContact CG-CB 4.14Å; M47-N147 HydrophobicContact SD-CB 3.97Å; T143-N147 PolarHBondContact O-N 3.07Å; T143-N147 PolarHBondContact O-ND2 2.64Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.42Å; N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 3Å; N147-M245 HydrophobicContact CB-CE 3.51Å; N147-M245 HydrophobicContact CB-SD 3.89Å
148	D	95.6	Very high	90.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	22%	0.221	C	C	.	.			trans	-82.4	72.3	-178.8	178.5	26.7	0	0	0	111.3	R52 R78 R144 L145 R158 E159 F160	R52-D148 IonicContact CZ-OD1 2.68Å; R52-D148 IonicContact NE-OD1 3.21Å; R52-D148 IonicContact NH1-OD1 3.83Å; R52-D148 PolarHBondContact NH1-OD1 2.88Å; R78-D148 IonicContact CZ-OD2 2.7Å; R78-D148 PolarHBondContact NE-O 3.02Å; R78-D148 IonicContact NE-OD2 3.69Å; R78-D148 IonicContact NH2-OD2 3.98Å; R78-D148 PolarHBondContact NH2-OD2 3.3Å; R144-D148 WeakPolarHBondContact O-CB 3.27Å; R144-D148 PolarHBondContact O-N 3.42Å; L145-D148 PolarHBondContact O-N 2.89Å; D148-R158 PolarHBondContact O-NH1 2.87Å; D148-E159 VanDerWaalsContact OD1-CB 3.27Å; D148-E159 WeakPolarHBondContact OD1-CB 3.35Å; D148-E159 PolarHBondContact OD1-N 3.3Å; D148-E159 PolarHBondContact OD2-N 3.4Å; D148-F160 HydrophobicContact CB-CD2 4.18Å; D148-F160 PolarHBondContact OD2-N 2.93Å
149	N	93.7	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-68.6	152.9	174.3	-80.8	4.5	0	0	0	111.9	R36 L40 M47 R52 Y57 E71 N147 S151	R36-N149 PolarHBondContact NH2-OD1 3.41Å; L40-N149 WeakPolarHBondContact CD2-OD1 3.3Å; M47-N149 HydrophobicContact CE-CB 3.91Å; M47-N149 VanDerWaalsContact CE-ND2 3.28Å; M47-N149 WeakPolarHBondContact CE-ND2 3.3Å; R52-N149 WeakPolarHBondContact CD-O 3.42Å; R52-N149 PolarHBondContact NH1-O 3.39Å; R52-N149 WeakPolarHBondContact O-CB 3.1Å; Y57-N149 PolarHBondContact OH-ND2 3.31Å; E71-N149 VanDerWaalsContact OE1-CA 3.32Å; E71-N149 WeakPolarHBondContact OE1-CA 3.47Å; N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 3Å; N149-S151 PolarHBondContact O-N 2.9Å
150	K	90.2	Very high	90.5	Very high	97 Å²	97	38.7 Å²	38.7	42%	0.422	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-59.3	122.3	168.1	-70.1	-173.5	177	-177.6	0	108.9	E71 A152 G156 R158	E71-K150 PolarHBondContact OE1-N 3.33Å; K150-A152 PolarHBondContact O-N 2.87Å; K150-G156 WeakPolarHBondContact CB-O 3.34Å; K150-G156 WeakPolarHBondContact CD-O 3.16Å; K150-G156 WeakPolarHBondContact CG-O 3.49Å; K150-R158 HydrophobicContact CG-CG 4Å
151	S	81.1	Confident	90.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-79.7	116.9	178.8	178.6	0	0	0	0	109.9	G51 N149 K153 K154 G156 T157	G51-S151 WeakPolarHBondContact O-CB 3.43Å; G51-S151 PolarHBondContact O-OG 3.39Å; N149-S151 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact O-N 3.27Å; S151-K153 PolarHBondContact OG-N 3.43Å; S151-K154 PolarHBondContact O-N 3.15Å; S151-K154 PolarHBondContact OG-N 2.92Å; S151-G156 VanDerWaalsContact O-CA 3.22Å; S151-G156 WeakPolarHBondContact O-CA 3.45Å; S151-G156 PolarHBondContact O-N 3.48Å; S151-T157 PolarHBondContact N-O 2.67Å
152	A	73.4	Confident	90.3	Very high	93 Å²	93	46.5 Å²	46.5	77%	0.769	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58.6	-34	171.8	0	0	0	0	0	111.8	K150	K150-A152 PolarHBondContact O-N 2.87Å
153	K	72.6	Confident	90.3	Very high	179 Å²	179	47.1 Å²	47.1	78%	0.778	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-74.4	-26.5	-179.5	-63.9	-175.1	178.8	-178.4	0	113.9	S151	S151-K153 PolarHBondContact O-N 3.27Å; S151-K153 PolarHBondContact OG-N 3.43Å
154	K	73.6	Confident	90.3	Very high	129 Å²	129	52.8 Å²	52.8	56%	0.561	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-110.2	46.3	-177.2	-59.7	-176	176.7	-179.6	0	111.8	S151 G156 T157	S151-K154 PolarHBondContact O-N 3.15Å; S151-K154 PolarHBondContact OG-N 2.92Å; K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 2.91Å; K154-T157 PolarHBondContact O-N 3.09Å; K154-T157 PolarHBondContact O-OG1 3.21Å
155	G	76.5	Confident	90.3	Very high	74 Å²	74	54.3 Å²	54.3	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	25.7	174.7	0	0	0	0	0	114.7	T157	G155-T157 VanDerWaalsContact C-N 3.29Å; G155-T157 PolarHBondContact O-N 2.99Å
156	G	83	Confident	90.3	Very high	33 Å²	33	54 Å²	54	34%	0.34	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	14.7	179.9	0	0	0	0	0	114.7	K150 S151 K154	K150-G156 WeakPolarHBondContact CB-O 3.34Å; K150-G156 WeakPolarHBondContact CD-O 3.16Å; K150-G156 WeakPolarHBondContact CG-O 3.49Å; S151-G156 VanDerWaalsContact O-CA 3.22Å; S151-G156 WeakPolarHBondContact O-CA 3.45Å; S151-G156 PolarHBondContact O-N 3.48Å; K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 2.91Å
157	T	90.5	Very high	90.3	Very high	78 Å²	78	56.1 Å²	56.1	48%	0.479	32%	0.323	S	S	.	.			trans	-86.4	154.5	-178.3	63	0	0	0	0	112.6	R52 S151 K154 G155	R52-T157 PolarHBondContact NH1-O 3.39Å; S151-T157 PolarHBondContact N-O 2.67Å; K154-T157 PolarHBondContact O-N 3.09Å; K154-T157 PolarHBondContact O-OG1 3.21Å; G155-T157 VanDerWaalsContact C-N 3.29Å; G155-T157 PolarHBondContact O-N 2.99Å
158	R	93.8	Very high	90.3	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.196	34%	0.344	C	S	.	.			trans	-93	161.6	175.1	-67	-161.2	-170	-85.4	0.9	111.1	E71 R78 D148 K150	E71-R158 VanDerWaalsContact CD-NH1 3.35Å; E71-R158 IonicContact OE1-CZ 3.45Å; E71-R158 IonicContact OE1-NH1 3.85Å; E71-R158 PolarHBondContact OE1-NH1 3.24Å; E71-R158 IonicContact OE1-NH2 3.98Å; E71-R158 PolarHBondContact OE1-NH2 2.88Å; E71-R158 IonicContact OE2-CZ 3.51Å; E71-R158 IonicContact OE2-NH1 3.81Å; E71-R158 PolarHBondContact OE2-NH1 3.1Å; E71-R158 VanDerWaalsContact OE2-NH1 3.11Å; E71-R158 IonicContact OE2-NH2 3.66Å; E71-R158 PolarHBondContact OE2-NH2 3.47Å; R78-R158 VanDerWaalsContact NH2-CD 3.34Å; D148-R158 PolarHBondContact O-NH1 2.87Å; K150-R158 HydrophobicContact CG-CG 4Å
159	E	94.4	Very high	90.5	Very high	39 Å²	39	62.4 Å²	62.4	18%	0.182	36%	0.36	C	S	.	.	S	Bend	trans	-75.2	-40.9	173.9	-159.2	173.3	141.7	0	0	111.3	R52 R144 D148 K169	R52-E159 VanDerWaalsContact CZ-N 3.3Å; R52-E159 IonicContact NE-OE2 3.06Å; R52-E159 IonicContact NH2-OE2 2.75Å; R144-E159 IonicContact CZ-OE1 3.26Å; R144-E159 VanDerWaalsContact NH2-CD 3.31Å; R144-E159 IonicContact NH2-OE1 3.56Å; R144-E159 PolarHBondContact NH2-OE1 3.04Å; R144-E159 IonicContact NH2-OE2 3.38Å; R144-E159 PolarHBondContact NH2-OE2 3.2Å; D148-E159 VanDerWaalsContact OD1-CB 3.27Å; D148-E159 WeakPolarHBondContact OD1-CB 3.35Å; D148-E159 PolarHBondContact OD1-N 3.3Å; D148-E159 PolarHBondContact OD2-N 3.4Å; E159-K169 PolarHBondContact O-NZ 3.17Å
160	F	96.6	Very high	90.7	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	36%	0.36	C	S	.	.			trans	-121.2	140.9	-172.3	-56.9	-71.3	0	0	0	110.9	R78 R144 L145 D148 D165 V166 K169	R78-F160 PolarHBondContact NH2-O 3.01Å; R144-F160 HydrophobicContact CB-CD2 4.37Å; R144-F160 HydrophobicContact CB-CE2 3.91Å; R144-F160 HydrophobicContact CB-CZ 4.44Å; L145-F160 HydrophobicContact CD2-CB 3.84Å; D148-F160 HydrophobicContact CB-CD2 4.18Å; D148-F160 PolarHBondContact OD2-N 2.93Å; F160-D165 WeakPolarHBondContact CA-OD2 3.34Å; F160-V166 HydrophobicContact CB-CG2 3.82Å; F160-V166 HydrophobicContact CD1-CB 4.11Å; F160-V166 HydrophobicContact CD1-CG2 3.63Å; F160-V166 HydrophobicContact CD2-CG2 3.98Å; F160-V166 HydrophobicContact CE1-CB 4.34Å; F160-V166 HydrophobicContact CE1-CG1 4.47Å; F160-V166 HydrophobicContact CE1-CG2 4.16Å; F160-V166 HydrophobicContact CE2-CG2 4.49Å; F160-V166 HydrophobicContact CG-CB 4.48Å; F160-V166 HydrophobicContact CG-CG2 3.52Å; F160-K169 HydrophobicContact CD1-CB 4.47Å; F160-K169 HydrophobicContact CD1-CD 3.87Å; F160-K169 HydrophobicContact CE1-CB 3.96Å; F160-K169 HydrophobicContact CE1-CD 3.98Å
161	N	95.9	Very high	91.1	Very high	141 Å²	141	62.6 Å²	62.6	75%	0.754	36%	0.361	S	S	*	.	S	Bend	trans	-86.9	-19.6	174.2	-67.2	-37.7	0	0	0	112.5	D165	N161-D165 HydrophobicContact CB-CB 4.24Å; N161-D165 PolarHBondContact N-OD2 2.86Å
162	G	96.7	Very high	91.9	Very high	24 Å²	24	71.8 Å²	71.8	25%	0.247	40%	0.401	C	S	.	.	S	Bend	trans	170.9	-169.6	-179.4	0	0	0	0	0	112.1	V164 D165 V166	G162-V164 PolarHBondContact O-N 3.48Å; G162-D165 PolarHBondContact O-N 3.05Å; G162-V166 WeakPolarHBondContact O-CG2 3.43Å; G162-V166 PolarHBondContact O-N 3.32Å; G162-V166 VanDerWaalsContact O-N 3.12Å
163	L	97.8	Very high	93.1	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.162	38%	0.384	C	S	.	.	H	α-helix	trans	-58.1	-48.6	-176.7	179.7	57.8	0	0	0	112.7	P82 L85 A141 D165 V166 Y167	P82-L163 HydrophobicContact CB-CD1 4.02Å; P82-L163 HydrophobicContact CG-CD1 4.35Å; L85-L163 HydrophobicContact CD1-CD2 3.63Å; A141-L163 HydrophobicContact CB-CD1 3.41Å; A141-L163 VanDerWaalsContact CB-CD1 3.41Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.69Å; L163-V166 WeakPolarHBondContact O-CB 3.47Å; L163-V166 PolarHBondContact O-N 3.37Å; L163-Y167 HydrophobicContact CD1-CD2 4.04Å; L163-Y167 HydrophobicContact CD1-CE2 3.49Å; L163-Y167 VanDerWaalsContact CD1-CE2 3.49Å; L163-Y167 HydrophobicContact CG-CD2 4.21Å; L163-Y167 HydrophobicContact CG-CE2 3.89Å; L163-Y167 VanDerWaalsContact O-CD2 3.25Å; L163-Y167 WeakPolarHBondContact O-CD2 3.41Å; L163-Y167 PolarHBondContact O-N 3.33Å
164	V	98.2	Very high	94.2	Very high	120 Å²	120	62.6 Å²	62.6	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-61.7	-40.7	-179.5	178.7	0	0	0	0	111.2	G162 V166 Y167 A168	G162-V164 PolarHBondContact O-N 3.48Å; V164-V166 VanDerWaalsContact C-N 3.32Å; V164-V166 PolarHBondContact O-N 2.91Å; V164-Y167 PolarHBondContact O-N 2.79Å; V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 3.32Å
165	D	98.3	Very high	95.4	Very high	34 Å²	34	57.8 Å²	57.8	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-32.3	179.6	-170.7	38.8	0	0	0	112.3	F160 N161 G162 L163 K169	F160-D165 WeakPolarHBondContact CA-OD2 3.34Å; N161-D165 HydrophobicContact CB-CB 4.24Å; N161-D165 PolarHBondContact N-OD2 2.86Å; G162-D165 PolarHBondContact O-N 3.05Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.69Å; D165-K169 VanDerWaalsContact O-CB 3.3Å; D165-K169 WeakPolarHBondContact O-CB 3.35Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å; D165-K169 WeakPolarHBondContact OD1-CD 3.11Å; D165-K169 WeakPolarHBondContact OD1-CE 3.4Å; D165-K169 IonicContact OD1-NZ 2.72Å; D165-K169 PolarHBondContact OD1-NZ 2.91Å; D165-K169 WeakPolarHBondContact OD2-CE 3.3Å; D165-K169 IonicContact OD2-NZ 3.33Å; D165-K169 PolarHBondContact OD2-NZ 3.1Å
166	V	98.4	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-51	170	175.9	0	0	0	0	110.7	Y140 A141 R144 L145 F160 G162 L163 V164 T170	Y140-V166 HydrophobicContact CD1-CG1 4.31Å; Y140-V166 HydrophobicContact CE1-CG1 3.8Å; A141-V166 HydrophobicContact CB-CG1 4.11Å; R144-V166 HydrophobicContact CB-CG1 4.01Å; R144-V166 HydrophobicContact CB-CG2 4.32Å; R144-V166 HydrophobicContact CG-CG1 4.05Å; L145-V166 HydrophobicContact CD1-CG2 4.28Å; L145-V166 HydrophobicContact CD2-CG2 3.68Å; L145-V166 HydrophobicContact CG-CG2 3.7Å; F160-V166 HydrophobicContact CB-CG2 3.82Å; F160-V166 HydrophobicContact CD1-CB 4.11Å; F160-V166 HydrophobicContact CD1-CG2 3.63Å; F160-V166 HydrophobicContact CD2-CG2 3.98Å; F160-V166 HydrophobicContact CE1-CB 4.34Å; F160-V166 HydrophobicContact CE1-CG1 4.47Å; F160-V166 HydrophobicContact CE1-CG2 4.16Å; F160-V166 HydrophobicContact CE2-CG2 4.49Å; F160-V166 HydrophobicContact CG-CB 4.48Å; F160-V166 HydrophobicContact CG-CG2 3.52Å; G162-V166 WeakPolarHBondContact O-CG2 3.43Å; G162-V166 PolarHBondContact O-N 3.32Å; G162-V166 VanDerWaalsContact O-N 3.12Å; L163-V166 WeakPolarHBondContact O-CB 3.47Å; L163-V166 PolarHBondContact O-N 3.37Å; V164-V166 VanDerWaalsContact C-N 3.32Å; V164-V166 PolarHBondContact O-N 2.91Å; V166-T170 WeakPolarHBondContact O-CB 3.44Å; V166-T170 PolarHBondContact O-N 3.21Å; V166-T170 PolarHBondContact O-OG1 3.23Å
167	Y	98.5	Very high	97	Very high	47 Å²	47	62.1 Å²	62.1	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-50.6	178.6	-76.6	-73.2	0	0	0	111.6	S137 A141 L163 V164 K169 T170 F171 L179	S137-Y167 WeakPolarHBondContact CB-OH 3.26Å; S137-Y167 PolarHBondContact O-OH 3.25Å; S137-Y167 PolarHBondContact OG-OH 3.01Å; A141-Y167 HydrophobicContact CB-CE2 4.38Å; L163-Y167 HydrophobicContact CD1-CD2 4.04Å; L163-Y167 HydrophobicContact CD1-CE2 3.49Å; L163-Y167 VanDerWaalsContact CD1-CE2 3.49Å; L163-Y167 HydrophobicContact CG-CD2 4.21Å; L163-Y167 HydrophobicContact CG-CE2 3.89Å; L163-Y167 VanDerWaalsContact O-CD2 3.25Å; L163-Y167 WeakPolarHBondContact O-CD2 3.41Å; L163-Y167 PolarHBondContact O-N 3.33Å; V164-Y167 PolarHBondContact O-N 2.79Å; Y167-K169 PolarHBondContact O-N 3.22Å; Y167-T170 PolarHBondContact O-N 3.29Å; Y167-F171 HydrophobicContact CD1-CE2 4.07Å; Y167-F171 WeakPolarHBondContact O-CB 3.39Å; Y167-F171 WeakPolarHBondContact O-CD2 3.31Å; Y167-F171 WeakPolarHBondContact O-CG 3.48Å; Y167-F171 PolarHBondContact O-N 3.45Å; Y167-L179 HydrophobicContact CD1-CD1 3.79Å; Y167-L179 HydrophobicContact CD1-CD2 3.68Å; Y167-L179 HydrophobicContact CD1-CG 4.42Å; Y167-L179 HydrophobicContact CE1-CD1 3.88Å; Y167-L179 HydrophobicContact CE1-CD2 3.86Å
168	A	98.6	Very high	97.3	Very high	53 Å²	53	58.4 Å²	58.4	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-57.4	-47.9	-178.5	0	0	0	0	0	112.1	V164 K172	V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 3.32Å; A168-K172 WeakPolarHBondContact O-CB 3.27Å; A168-K172 PolarHBondContact O-N 2.96Å
169	K	98.5	Very high	97.5	Very high	81 Å²	81	56.1 Å²	56.1	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-41.2	179.1	-76.1	172.7	174.5	160.1	0	112.5	E159 F160 D165 Y167 K172 S173	E159-K169 PolarHBondContact O-NZ 3.17Å; F160-K169 HydrophobicContact CD1-CB 4.47Å; F160-K169 HydrophobicContact CD1-CD 3.87Å; F160-K169 HydrophobicContact CE1-CB 3.96Å; F160-K169 HydrophobicContact CE1-CD 3.98Å; D165-K169 VanDerWaalsContact O-CB 3.3Å; D165-K169 WeakPolarHBondContact O-CB 3.35Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å; D165-K169 WeakPolarHBondContact OD1-CD 3.11Å; D165-K169 WeakPolarHBondContact OD1-CE 3.4Å; D165-K169 IonicContact OD1-NZ 2.72Å; D165-K169 PolarHBondContact OD1-NZ 2.91Å; D165-K169 WeakPolarHBondContact OD2-CE 3.3Å; D165-K169 IonicContact OD2-NZ 3.33Å; D165-K169 PolarHBondContact OD2-NZ 3.1Å; Y167-K169 PolarHBondContact O-N 3.22Å; K169-K172 PolarHBondContact O-N 3.3Å; K169-S173 PolarHBondContact O-N 3.3Å; K169-S173 PolarHBondContact O-OG 3.25Å
170	T	98.4	Very high	97.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-41.4	177.4	-59.9	0	0	0	0	111.8	Y140 V166 Y167 K172 S173 D174 G175 L179	Y140-T170 HydrophobicContact CE1-CG2 4.02Å; Y140-T170 WeakPolarHBondContact CE1-OG1 3.42Å; Y140-T170 WeakPolarHBondContact OH-CG2 3.3Å; Y140-T170 PolarHBondContact OH-OG1 2.93Å; V166-T170 WeakPolarHBondContact O-CB 3.44Å; V166-T170 PolarHBondContact O-N 3.21Å; V166-T170 PolarHBondContact O-OG1 3.23Å; Y167-T170 PolarHBondContact O-N 3.29Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 2.9Å; T170-S173 PolarHBondContact O-N 3.25Å; T170-S173 PolarHBondContact O-OG 3.29Å; T170-D174 PolarHBondContact O-N 3.45Å; T170-G175 PolarHBondContact O-N 3.12Å; T170-L179 HydrophobicContact CG2-CD2 3.71Å; T170-L179 HydrophobicContact CG2-CG 4.05Å
171	F	98.2	Very high	97.8	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-42.3	174.6	-77.1	-55.4	0	0	0	111.6	Y167 S173 G175 I176 L179	Y167-F171 HydrophobicContact CD1-CE2 4.07Å; Y167-F171 WeakPolarHBondContact O-CB 3.39Å; Y167-F171 WeakPolarHBondContact O-CD2 3.31Å; Y167-F171 WeakPolarHBondContact O-CG 3.48Å; Y167-F171 PolarHBondContact O-N 3.45Å; F171-S173 PolarHBondContact O-N 2.9Å; F171-G175 VanDerWaalsContact O-CA 3.27Å; F171-G175 WeakPolarHBondContact O-CA 3.44Å; F171-G175 PolarHBondContact O-N 3.38Å; F171-I176 HydrophobicContact CE1-CB 4.1Å; F171-I176 HydrophobicContact CE1-CD1 4.39Å; F171-I176 HydrophobicContact CE1-CG1 3.95Å; F171-L179 HydrophobicContact CD1-CD1 4.44Å; F171-L179 HydrophobicContact CE1-CD1 3.65Å; F171-L179 HydrophobicContact CE2-CD1 4.18Å; F171-L179 HydrophobicContact CZ-CD1 3.48Å; F171-L179 VanDerWaalsContact CZ-CD1 3.48Å
172	K	98.2	Very high	97.9	Very high	193 Å²	193	53.8 Å²	53.8	84%	0.839	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-36.9	177.3	-175.4	174.9	180	176.5	0	112.9	A168 K169 T170	A168-K172 WeakPolarHBondContact O-CB 3.27Å; A168-K172 PolarHBondContact O-N 2.96Å; K169-K172 PolarHBondContact O-N 3.3Å; T170-K172 VanDerWaalsContact C-N 3.32Å; T170-K172 PolarHBondContact O-N 2.9Å
173	S	97.5	Very high	97.9	Very high	58 Å²	58	55 Å²	55	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-91.6	-34.9	-173.7	71.3	0	0	0	0	114.9	K169 T170 F171 G248	K169-S173 PolarHBondContact O-N 3.3Å; K169-S173 PolarHBondContact O-OG 3.25Å; T170-S173 PolarHBondContact O-N 3.25Å; T170-S173 PolarHBondContact O-OG 3.29Å; F171-S173 PolarHBondContact O-N 2.9Å; S173-G248 WeakPolarHBondContact OG-CA 3.32Å; S173-G248 PolarHBondContact OG-N 2.95Å
174	D	97.2	Very high	97.9	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.112	31%	0.313	C	S	.	.	H	α-helix	trans	-133.3	-5.8	-168.7	-73.3	-119.8	0	0	0	112.9	T170 S177 G178 R181 G248 K252	T170-D174 PolarHBondContact O-N 3.45Å; D174-S177 PolarHBondContact O-OG 3.46Å; D174-S177 VanDerWaalsContact O-OG 3.09Å; D174-G178 VanDerWaalsContact CB-CA 3.47Å; D174-R181 IonicContact OD1-CZ 3.39Å; D174-R181 IonicContact OD1-NE 3.27Å; D174-R181 PolarHBondContact OD1-NE 3.11Å; D174-R181 IonicContact OD1-NH2 3.82Å; D174-G248 PolarHBondContact OD2-N 2.91Å; D174-K252 IonicContact OD1-NZ 3.31Å; D174-K252 PolarHBondContact OD1-NZ 2.91Å; D174-K252 IonicContact OD2-NZ 3.89Å; D174-K252 PolarHBondContact OD2-NZ 3.17Å
175	G	97.4	Very high	97.9	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	-160	-168.9	0	0	0	0	0	112.5	T170 F171 S177 G178	T170-G175 PolarHBondContact O-N 3.12Å; F171-G175 VanDerWaalsContact O-CA 3.27Å; F171-G175 WeakPolarHBondContact O-CA 3.44Å; F171-G175 PolarHBondContact O-N 3.38Å; G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 3.38Å; G175-G178 PolarHBondContact O-N 2.78Å
176	I	97.2	Very high	97.9	Very high	119 Å²	119	52.4 Å²	52.4	61%	0.61	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.3	-33.1	-176.2	-153.1	155	0	0	0	112.3	F171 G178 L179 Y180	F171-I176 HydrophobicContact CE1-CB 4.1Å; F171-I176 HydrophobicContact CE1-CD1 4.39Å; F171-I176 HydrophobicContact CE1-CG1 3.95Å; I176-G178 PolarHBondContact O-N 3.48Å; I176-L179 WeakPolarHBondContact O-CB 3.43Å; I176-L179 PolarHBondContact O-N 2.82Å; I176-Y180 HydrophobicContact CG1-CE2 4.5Å; I176-Y180 WeakPolarHBondContact O-CD2 3.43Å
177	S	96.5	Very high	97.9	Very high	78 Å²	78	53.4 Å²	53.4	55%	0.545	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28.7	179.7	73.6	0	0	0	0	112.3	D174 G175 L179 Y180	D174-S177 PolarHBondContact O-OG 3.46Å; D174-S177 VanDerWaalsContact O-OG 3.09Å; G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 3.38Å; S177-L179 VanDerWaalsContact C-N 3.26Å; S177-L179 PolarHBondContact O-N 3.1Å; S177-Y180 PolarHBondContact O-N 3.24Å; S177-Y180 VanDerWaalsContact O-N 3.11Å
178	G	97.5	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.8	175.1	0	0	0	0	0	114.3	Y140 D174 G175 I176 Y180 S247	Y140-G178 VanDerWaalsContact CE2-O 3.26Å; Y140-G178 WeakPolarHBondContact CE2-O 3.42Å; D174-G178 VanDerWaalsContact CB-CA 3.47Å; G175-G178 PolarHBondContact O-N 2.78Å; I176-G178 PolarHBondContact O-N 3.48Å; G178-Y180 VanDerWaalsContact C-N 3.29Å; G178-S247 PolarHBondContact O-OG 3.23Å
179	L	98.1	Very high	97.8	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-76	-18.9	178.4	-61.6	172.9	0	0	0	112.6	Y136 Y140 Y167 T170 F171 I176 S177	Y136-L179 VanDerWaalsContact CD1-O 3.26Å; Y136-L179 WeakPolarHBondContact CD1-O 3.38Å; Y136-L179 WeakPolarHBondContact CE1-O 3.23Å; Y140-L179 WeakPolarHBondContact CB-O 3.35Å; Y140-L179 HydrophobicContact CD1-CD2 3.66Å; Y140-L179 HydrophobicContact CE1-CD2 3.68Å; Y167-L179 HydrophobicContact CD1-CD1 3.79Å; Y167-L179 HydrophobicContact CD1-CD2 3.68Å; Y167-L179 HydrophobicContact CD1-CG 4.42Å; Y167-L179 HydrophobicContact CE1-CD1 3.88Å; Y167-L179 HydrophobicContact CE1-CD2 3.86Å; T170-L179 HydrophobicContact CG2-CD2 3.71Å; T170-L179 HydrophobicContact CG2-CG 4.05Å; F171-L179 HydrophobicContact CD1-CD1 4.44Å; F171-L179 HydrophobicContact CE1-CD1 3.65Å; F171-L179 HydrophobicContact CE2-CD1 4.18Å; F171-L179 HydrophobicContact CZ-CD1 3.48Å; F171-L179 VanDerWaalsContact CZ-CD1 3.48Å; I176-L179 WeakPolarHBondContact O-CB 3.43Å; I176-L179 PolarHBondContact O-N 2.82Å; S177-L179 VanDerWaalsContact C-N 3.26Å; S177-L179 PolarHBondContact O-N 3.1Å
180	Y	98.2	Very high	97.7	Very high	76 Å²	76	50.1 Å²	50.1	30%	0.298	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-108.3	15.5	-174.5	-69.7	-94	0	0	0	113	V133 Y136 I176 S177 G178 G182 F183	V133-Y180 WeakPolarHBondContact O-CE1 3.46Å; V133-Y180 PolarHBondContact O-OH 3.07Å; Y136-Y180 AromaticContact CD1-CD1 3.97Å; Y136-Y180 HydrophobicContact CD1-CD1 3.97Å; Y136-Y180 HydrophobicContact CD1-CG 4.36Å; Y136-Y180 HydrophobicContact CG-CD1 4.3Å; I176-Y180 HydrophobicContact CG1-CE2 4.5Å; I176-Y180 WeakPolarHBondContact O-CD2 3.43Å; S177-Y180 PolarHBondContact O-N 3.24Å; S177-Y180 VanDerWaalsContact O-N 3.11Å; G178-Y180 VanDerWaalsContact C-N 3.29Å; Y180-G182 PolarHBondContact O-N 2.92Å; Y180-G182 VanDerWaalsContact O-N 3.11Å; Y180-F183 HydrophobicContact CD1-CB 4.42Å; Y180-F183 AromaticContact CD1-CD2 3.76Å; Y180-F183 HydrophobicContact CD1-CD2 3.76Å; Y180-F183 HydrophobicContact CD1-CE2 4.33Å; Y180-F183 HydrophobicContact CD1-CG 4.26Å; Y180-F183 HydrophobicContact CE1-CD2 4.36Å; Y180-F183 WeakPolarHBondContact O-CB 3.49Å; Y180-F183 PolarHBondContact O-N 2.71Å
181	R	98.1	Very high	97.5	Very high	54 Å²	54	53.8 Å²	53.8	20%	0.204	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	115.2	175	-74.9	-164.7	170.3	-86.7	-14.1	111.3	Y136 D174 M244 T246 S247 Y253	Y136-R181 PolarHBondContact OH-O 2.8Å; D174-R181 IonicContact OD1-CZ 3.39Å; D174-R181 IonicContact OD1-NE 3.27Å; D174-R181 PolarHBondContact OD1-NE 3.11Å; D174-R181 IonicContact OD1-NH2 3.82Å; R181-M244 WeakPolarHBondContact O-CG 3.36Å; R181-T246 VanDerWaalsContact CD-OG1 3.29Å; R181-T246 WeakPolarHBondContact CD-OG1 3.18Å; R181-S247 WeakPolarHBondContact CD-OG 3.42Å; R181-Y253 PolarHBondContact NH1-O 3.25Å
182	G	98	Very high	97.5	Very high	5 Å²	5	51 Å²	51	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	7.9	-175.7	0	0	0	0	0	114.1	Y136 Y180 I185 S186	Y136-G182 VanDerWaalsContact OH-CA 3.26Å; Y136-G182 WeakPolarHBondContact OH-CA 3.48Å; Y136-G182 PolarHBondContact OH-O 2.95Å; Y136-G182 VanDerWaalsContact OH-O 3.06Å; Y180-G182 PolarHBondContact O-N 2.92Å; Y180-G182 VanDerWaalsContact O-N 3.11Å; G182-I185 WeakPolarHBondContact O-CG2 3.5Å; G182-S186 PolarHBondContact O-N 3.46Å; G182-S186 VanDerWaalsContact O-N 3.14Å; G182-S186 PolarHBondContact O-OG 3.3Å
183	F	98	Very high	97.4	Very high	49 Å²	49	45 Å²	45	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-50.6	-177.8	177.4	-94.2	0	0	0	112.4	L132 V133 Y136 Y180 I185 S186 C187	L132-F183 HydrophobicContact CB-CD2 4.2Å; L132-F183 HydrophobicContact CB-CE2 3.55Å; L132-F183 HydrophobicContact CB-CZ 4.33Å; V133-F183 HydrophobicContact CG2-CE2 4.42Å; V133-F183 HydrophobicContact CG2-CZ 3.99Å; Y136-F183 HydrophobicContact CD1-CD2 4.44Å; Y136-F183 AromaticContact CD2-CD2 3.96Å; Y136-F183 HydrophobicContact CD2-CD2 3.96Å; Y136-F183 HydrophobicContact CE1-CB 4.36Å; Y136-F183 HydrophobicContact CE2-CB 4.44Å; Y136-F183 HydrophobicContact CE2-CD2 4.45Å; Y136-F183 AromaticContact CG-CD2 3.94Å; Y136-F183 HydrophobicContact CG-CD2 3.94Å; Y136-F183 PolarHBondContact OH-N 2.88Å; Y136-F183 VanDerWaalsContact OH-N 3.16Å; Y180-F183 HydrophobicContact CD1-CB 4.42Å; Y180-F183 AromaticContact CD1-CD2 3.76Å; Y180-F183 HydrophobicContact CD1-CD2 3.76Å; Y180-F183 HydrophobicContact CD1-CE2 4.33Å; Y180-F183 HydrophobicContact CD1-CG 4.26Å; Y180-F183 HydrophobicContact CE1-CD2 4.36Å; Y180-F183 WeakPolarHBondContact O-CB 3.49Å; Y180-F183 PolarHBondContact O-N 2.71Å; F183-I185 PolarHBondContact O-N 2.88Å; F183-S186 WeakPolarHBondContact O-CA 3.42Å; F183-S186 WeakPolarHBondContact O-CB 3.34Å; F183-S186 PolarHBondContact O-N 2.92Å; F183-C187 PolarHBondContact O-N 2.82Å; F183-C187 VanDerWaalsContact O-N 3.08Å
184	V	97.2	Very high	97.3	Very high	104 Å²	104	45.7 Å²	45.7	63%	0.63	25%	0.246	S	C	*	.	H	α-helix	trans	-58	-49.7	-177.3	177.9	0	0	0	0	111.9	S186 C187 V188	V184-S186 PolarHBondContact O-N 3.3Å; V184-C187 WeakPolarHBondContact O-CB 3.27Å; V184-C187 PolarHBondContact O-N 3.46Å; V184-C187 VanDerWaalsContact O-N 3.09Å; V184-V188 PolarHBondContact O-N 3.4Å; V184-V188 VanDerWaalsContact O-N 3.09Å
185	I	98	Very high	97.2	Very high	22 Å²	22	45.6 Å²	45.6	11%	0.113	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-22.2	178	-169	54.7	0	0	0	112.5	G182 F183 V188 G189 I236 I239 R240 M243 S256	G182-I185 WeakPolarHBondContact O-CG2 3.5Å; F183-I185 PolarHBondContact O-N 2.88Å; I185-V188 HydrophobicContact CD1-CB 4.29Å; I185-V188 HydrophobicContact CD1-CG1 4.41Å; I185-G189 PolarHBondContact O-N 3.37Å; I185-I236 HydrophobicContact CD1-CG1 4.33Å; I185-I236 HydrophobicContact CD1-CG2 4.02Å; I185-I236 HydrophobicContact CG1-CG2 3.93Å; I185-I236 VanDerWaalsContact O-CG2 3.23Å; I185-I236 WeakPolarHBondContact O-CG2 3.42Å; I185-I239 HydrophobicContact CG1-CB 4.5Å; I185-I239 HydrophobicContact CG1-CG2 4.05Å; I185-I239 HydrophobicContact CG2-CG2 4.41Å; I185-R240 HydrophobicContact CG2-CB 4.17Å; I185-M243 HydrophobicContact CG2-SD 4.09Å; I185-S256 VanDerWaalsContact CB-OG 3.26Å; I185-S256 WeakPolarHBondContact CB-OG 3.22Å; I185-S256 WeakPolarHBondContact CG2-OG 3.37Å
186	S	98	Very high	97.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-39.8	172.9	-51.3	0	0	0	0	111.9	Y136 G182 F183 V184 V188 G189 I190 R240	Y136-S186 VanDerWaalsContact CE2-OG 3.25Å; Y136-S186 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S186 PolarHBondContact OH-OG 3.49Å; G182-S186 PolarHBondContact O-N 3.46Å; G182-S186 VanDerWaalsContact O-N 3.14Å; G182-S186 PolarHBondContact O-OG 3.3Å; F183-S186 WeakPolarHBondContact O-CA 3.42Å; F183-S186 WeakPolarHBondContact O-CB 3.34Å; F183-S186 PolarHBondContact O-N 2.92Å; V184-S186 PolarHBondContact O-N 3.3Å; S186-V188 VanDerWaalsContact C-N 3.35Å; S186-G189 PolarHBondContact O-N 3.42Å; S186-I190 WeakPolarHBondContact O-CG1 3.39Å; S186-I190 PolarHBondContact O-N 2.83Å; S186-R240 WeakPolarHBondContact OG-CD 3.37Å; S186-R240 WeakPolarHBondContact OG-CG 3.3Å; S186-R240 PolarHBondContact OG-NE 2.9Å
187	C	97.6	Very high	97.2	Very high	22 Å²	22	44.3 Å²	44.3	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.3	-61.9	0	0	0	0	110.9	A129 F183 V184 G189 I190 I191	A129-C187 HydrophobicContact CB-CB 4.3Å; F183-C187 PolarHBondContact O-N 2.82Å; F183-C187 VanDerWaalsContact O-N 3.08Å; V184-C187 WeakPolarHBondContact O-CB 3.27Å; V184-C187 PolarHBondContact O-N 3.46Å; V184-C187 VanDerWaalsContact O-N 3.09Å; C187-G189 VanDerWaalsContact C-N 3.33Å; C187-G189 PolarHBondContact O-N 2.91Å; C187-I190 PolarHBondContact O-N 2.89Å; C187-I191 PolarHBondContact O-N 3.49Å
188	V	97.3	Very high	97	Very high	65 Å²	65	42.9 Å²	42.9	39%	0.394	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-46	173.3	176.2	0	0	0	0	110.8	V184 I185 S186 I190 I191 V192 I236	V184-V188 PolarHBondContact O-N 3.4Å; V184-V188 VanDerWaalsContact O-N 3.09Å; I185-V188 HydrophobicContact CD1-CB 4.29Å; I185-V188 HydrophobicContact CD1-CG1 4.41Å; S186-V188 VanDerWaalsContact C-N 3.35Å; V188-I190 VanDerWaalsContact C-N 3.28Å; V188-I190 PolarHBondContact O-N 3.25Å; V188-I191 PolarHBondContact O-N 2.92Å; V188-I191 VanDerWaalsContact O-N 3.1Å; V188-V192 HydrophobicContact CG1-CG2 4.15Å; V188-V192 WeakPolarHBondContact O-CG2 3.35Å; V188-V192 PolarHBondContact O-N 3.27Å; V188-I236 HydrophobicContact CG1-CD1 4.49Å
189	G	97.8	Very high	96.8	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-37.4	178.1	0	0	0	0	0	113.9	I185 S186 C187 Y193	I185-G189 PolarHBondContact O-N 3.37Å; S186-G189 PolarHBondContact O-N 3.42Å; C187-G189 VanDerWaalsContact C-N 3.33Å; C187-G189 PolarHBondContact O-N 2.91Å; G189-Y193 VanDerWaalsContact O-CB 3.23Å; G189-Y193 WeakPolarHBondContact O-CB 3.39Å; G189-Y193 PolarHBondContact O-N 3.35Å
190	I	96.2	Very high	96.6	Very high	35 Å²	35	45.9 Å²	45.9	18%	0.179	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-47.4	174.7	-67.5	168.4	0	0	0	110.4	L132 S186 C187 V188 R194	L132-I190 HydrophobicContact CD1-CD1 3.65Å; L132-I190 HydrophobicContact CG-CD1 3.97Å; S186-I190 WeakPolarHBondContact O-CG1 3.39Å; S186-I190 PolarHBondContact O-N 2.83Å; C187-I190 PolarHBondContact O-N 2.89Å; V188-I190 VanDerWaalsContact C-N 3.28Å; V188-I190 PolarHBondContact O-N 3.25Å; I190-R194 HydrophobicContact CG2-CG 4.21Å; I190-R194 VanDerWaalsContact O-CB 3.25Å; I190-R194 WeakPolarHBondContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CG 3.32Å; I190-R194 PolarHBondContact O-N 2.93Å
191	I	96.1	Very high	96.4	Very high	80 Å²	80	45 Å²	45	41%	0.41	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-48.2	179.9	-65.9	170	0	0	0	110.2	V121 C187 V188 R194 G195	V121-I191 HydrophobicContact CG1-CG2 3.93Å; C187-I191 PolarHBondContact O-N 3.49Å; V188-I191 PolarHBondContact O-N 2.92Å; V188-I191 VanDerWaalsContact O-N 3.1Å; I191-R194 PolarHBondContact O-N 3.41Å; I191-G195 PolarHBondContact O-N 2.98Å
192	V	97	Very high	96.1	Very high	42 Å²	42	45 Å²	45	26%	0.255	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-51.5	179.4	173.4	0	0	0	0	110.9	V188 R194 G195 F196 I236	V188-V192 HydrophobicContact CG1-CG2 4.15Å; V188-V192 WeakPolarHBondContact O-CG2 3.35Å; V188-V192 PolarHBondContact O-N 3.27Å; V192-R194 VanDerWaalsContact C-N 3.32Å; V192-R194 PolarHBondContact O-N 3.45Å; V192-G195 PolarHBondContact O-N 3.05Å; V192-F196 HydrophobicContact CG1-CD2 3.83Å; V192-F196 HydrophobicContact CG1-CE2 3.8Å; V192-F196 VanDerWaalsContact O-CD2 3.26Å; V192-F196 WeakPolarHBondContact O-CD2 3.42Å; V192-F196 PolarHBondContact O-N 3.12Å; V192-F196 VanDerWaalsContact O-N 3.07Å; V192-I236 HydrophobicContact CB-CD1 3.95Å; V192-I236 HydrophobicContact CG1-CD1 4Å; V192-I236 HydrophobicContact CG2-CD1 3.81Å
193	Y	97.4	Very high	95.8	Very high	66 Å²	66	48.6 Å²	48.6	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-45.4	177.7	174	-94.8	0	0	0	111.6	G189 Y197	G189-Y193 VanDerWaalsContact O-CB 3.23Å; G189-Y193 WeakPolarHBondContact O-CB 3.39Å; G189-Y193 PolarHBondContact O-N 3.35Å; Y193-Y197 HydrophobicContact CE1-CD2 4.36Å; Y193-Y197 WeakPolarHBondContact O-CB 3.48Å; Y193-Y197 PolarHBondContact O-N 3.46Å
194	R	94.6	Very high	95.5	Very high	73 Å²	73	48.7 Å²	48.7	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-40.3	-179.9	-72.8	-69.1	-172.5	128.6	7.9	112.4	I190 I191 V192 Y197 F198	I190-R194 HydrophobicContact CG2-CG 4.21Å; I190-R194 VanDerWaalsContact O-CB 3.25Å; I190-R194 WeakPolarHBondContact O-CB 3.29Å; I190-R194 WeakPolarHBondContact O-CG 3.32Å; I190-R194 PolarHBondContact O-N 2.93Å; I191-R194 PolarHBondContact O-N 3.41Å; V192-R194 VanDerWaalsContact C-N 3.32Å; V192-R194 PolarHBondContact O-N 3.45Å; R194-Y197 PolarHBondContact O-N 3.39Å; R194-F198 HydrophobicContact CB-CD2 4.35Å; R194-F198 HydrophobicContact CB-CE2 4.45Å; R194-F198 VanDerWaalsContact O-CD2 3.25Å; R194-F198 WeakPolarHBondContact O-CD2 3.27Å; R194-F198 PolarHBondContact O-N 2.77Å
195	G	95.8	Very high	95.3	Very high	18 Å²	18	48.2 Å²	48.2	19%	0.186	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-52.8	175.5	0	0	0	0	0	111.3	F117 I191 V192 Y197 G199	F117-G195 WeakPolarHBondContact CZ-O 3.28Å; I191-G195 PolarHBondContact O-N 2.98Å; V192-G195 PolarHBondContact O-N 3.05Å; G195-Y197 PolarHBondContact O-N 3.09Å; G195-G199 PolarHBondContact O-N 3.46Å
196	F	97	Very high	94.8	Very high	88 Å²	88	51.9 Å²	51.9	39%	0.386	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-39.6	176.4	-76.1	-68.2	0	0	0	112.7	V192 L200 S229 I232	V192-F196 HydrophobicContact CG1-CD2 3.83Å; V192-F196 HydrophobicContact CG1-CE2 3.8Å; V192-F196 VanDerWaalsContact O-CD2 3.26Å; V192-F196 WeakPolarHBondContact O-CD2 3.42Å; V192-F196 PolarHBondContact O-N 3.12Å; V192-F196 VanDerWaalsContact O-N 3.07Å; F196-L200 VanDerWaalsContact O-CB 3.22Å; F196-L200 WeakPolarHBondContact O-CB 3.17Å; F196-L200 WeakPolarHBondContact O-CD1 3.5Å; F196-L200 WeakPolarHBondContact O-CG 3.38Å; F196-L200 PolarHBondContact O-N 2.81Å; F196-S229 VanDerWaalsContact C-OG 3.26Å; F196-S229 PolarHBondContact O-OG 3.25Å; F196-I232 HydrophobicContact CD1-CD1 3.72Å; F196-I232 HydrophobicContact CD1-CG2 4.39Å; F196-I232 HydrophobicContact CD2-CB 4.24Å; F196-I232 HydrophobicContact CD2-CG2 3.55Å; F196-I232 HydrophobicContact CE1-CD1 4.01Å; F196-I232 HydrophobicContact CE1-CG2 4.16Å; F196-I232 HydrophobicContact CE2-CB 4.4Å; F196-I232 HydrophobicContact CE2-CG2 3.27Å; F196-I232 HydrophobicContact CG-CB 4.5Å; F196-I232 HydrophobicContact CG-CD1 4.01Å; F196-I232 HydrophobicContact CG-CG2 4.13Å; F196-I232 HydrophobicContact CZ-CG2 3.61Å
197	Y	96.1	Very high	94.4	Very high	34 Å²	34	57.1 Å²	57.1	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-54.8	-179.7	-179.4	-80.3	0	0	0	111.1	Y193 R194 G195 Y201 V225 S229	Y193-Y197 HydrophobicContact CE1-CD2 4.36Å; Y193-Y197 WeakPolarHBondContact O-CB 3.48Å; Y193-Y197 PolarHBondContact O-N 3.46Å; R194-Y197 PolarHBondContact O-N 3.39Å; G195-Y197 PolarHBondContact O-N 3.09Å; Y197-Y201 WeakPolarHBondContact O-CB 2.87Å; Y197-Y201 PolarHBondContact O-N 3.37Å; Y197-V225 HydrophobicContact CD2-CG1 3.83Å; Y197-V225 HydrophobicContact CE2-CG1 4.14Å; Y197-V225 HydrophobicContact CG-CG1 4.13Å; Y197-V225 WeakPolarHBondContact O-CG1 3.29Å; Y197-S229 WeakPolarHBondContact CA-OG 3.38Å; Y197-S229 PolarHBondContact N-OG 2.97Å; Y197-S229 VanDerWaalsContact N-OG 3.09Å
198	F	93.1	Very high	94	Very high	47 Å²	47	62 Å²	62	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-40.4	-179	-73.9	-60.6	0	0	0	111.2	F117 V121 R194 Y201 D202	F117-F198 HydrophobicContact CD2-CB 4.18Å; F117-F198 HydrophobicContact CE2-CB 3.74Å; V121-F198 HydrophobicContact CG2-CD2 4.36Å; R194-F198 HydrophobicContact CB-CD2 4.35Å; R194-F198 HydrophobicContact CB-CE2 4.45Å; R194-F198 VanDerWaalsContact O-CD2 3.25Å; R194-F198 WeakPolarHBondContact O-CD2 3.27Å; R194-F198 PolarHBondContact O-N 2.77Å; F198-Y201 PolarHBondContact O-N 3.27Å; F198-D202 VanDerWaalsContact O-CB 3.23Å; F198-D202 WeakPolarHBondContact O-CB 3.46Å; F198-D202 PolarHBondContact O-N 3.44Å
199	G	93.1	Very high	93.5	Very high	19 Å²	19	59.9 Å²	59.9	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-49	-177.7	0	0	0	0	0	111.1	G195 T203	G195-G199 PolarHBondContact O-N 3.46Å; G199-T203 WeakPolarHBondContact O-CB 3.4Å; G199-T203 PolarHBondContact O-N 3.46Å; G199-T203 PolarHBondContact O-OG1 3.48Å
200	L	95.1	Very high	92.7	Very high	50 Å²	50	61.5 Å²	61.5	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-43.5	176.1	-67.7	171	0	0	0	111.7	F196 T203 L204 V225 T228	F196-L200 VanDerWaalsContact O-CB 3.22Å; F196-L200 WeakPolarHBondContact O-CB 3.17Å; F196-L200 WeakPolarHBondContact O-CD1 3.5Å; F196-L200 WeakPolarHBondContact O-CG 3.38Å; F196-L200 PolarHBondContact O-N 2.81Å; L200-T203 PolarHBondContact O-N 3.17Å; L200-L204 HydrophobicContact CB-CD1 4.25Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CD1 3.37Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 2.96Å; L200-V225 HydrophobicContact CB-CG1 4.03Å; L200-V225 HydrophobicContact CB-CG2 4.09Å; L200-T228 HydrophobicContact CD1-CG2 3.67Å
201	Y	93.2	Very high	91.8	Very high	56 Å²	56	66.3 Å²	66.3	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-46.6	-179.3	-167.5	-99.5	0	0	0	111.8	Y197 F198 T203 L204 K205 L221 V225	Y197-Y201 WeakPolarHBondContact O-CB 2.87Å; Y197-Y201 PolarHBondContact O-N 3.37Å; F198-Y201 PolarHBondContact O-N 3.27Å; Y201-T203 VanDerWaalsContact C-N 3.34Å; Y201-T203 PolarHBondContact O-N 2.76Å; Y201-L204 PolarHBondContact O-N 2.78Å; Y201-K205 HydrophobicContact CD1-CD 4.37Å; Y201-K205 HydrophobicContact CE1-CB 4.39Å; Y201-K205 HydrophobicContact CE1-CD 3.64Å; Y201-K205 WeakPolarHBondContact O-CB 3.32Å; Y201-K205 PolarHBondContact O-N 3.44Å; Y201-L221 HydrophobicContact CE2-CD2 4.33Å; Y201-V225 HydrophobicContact CD2-CG2 4.36Å
202	D	90.8	Very high	91	Very high	54 Å²	54	70.1 Å²	70.1	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-69.5	-31.7	-178.2	-68.5	-14.2	0	0	0	111.9	Y113 F198 P206	Y113-D202 HydrophobicContact CE2-CB 4.3Å; Y113-D202 VanDerWaalsContact OH-CB 3.3Å; Y113-D202 WeakPolarHBondContact OH-CB 3.34Å; F198-D202 VanDerWaalsContact O-CB 3.23Å; F198-D202 WeakPolarHBondContact O-CB 3.46Å; F198-D202 PolarHBondContact O-N 3.44Å; D202-P206 WeakPolarHBondContact O-CD 3.47Å; D202-P206 WeakPolarHBondContact O-CG 3.26Å
203	T	92.1	Very high	90.3	Very high	81 Å²	81	69.6 Å²	69.6	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-74.2	-44.3	173.4	-63	0	0	0	0	112.6	G199 L200 Y201 I207	G199-T203 WeakPolarHBondContact O-CB 3.4Å; G199-T203 PolarHBondContact O-N 3.46Å; G199-T203 PolarHBondContact O-OG1 3.48Å; L200-T203 PolarHBondContact O-N 3.17Å; Y201-T203 VanDerWaalsContact C-N 3.34Å; Y201-T203 PolarHBondContact O-N 2.76Å; T203-I207 VanDerWaalsContact O-CD1 3.29Å; T203-I207 WeakPolarHBondContact O-CD1 3.49Å; T203-I207 WeakPolarHBondContact O-CG1 3.28Å
204	L	93	Very high	89.7	Confident	51 Å²	51	68.2 Å²	68.2	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-85.3	-30.2	-171.5	-62.4	170.2	0	0	0	112.3	L200 Y201 I207 F208 L221 V225	L200-L204 HydrophobicContact CB-CD1 4.25Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CD1 3.37Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 2.96Å; Y201-L204 PolarHBondContact O-N 2.78Å; L204-I207 PolarHBondContact O-N 3.05Å; L204-I207 VanDerWaalsContact O-N 3.12Å; L204-F208 HydrophobicContact CB-CD2 4.03Å; L204-F208 HydrophobicContact CB-CE2 4.33Å; L204-F208 HydrophobicContact CD2-CD2 4.32Å; L204-F208 HydrophobicContact CD2-CE2 3.75Å; L204-F208 VanDerWaalsContact O-CD2 3.28Å; L204-F208 WeakPolarHBondContact O-CD2 2.89Å; L204-F208 PolarHBondContact O-N 3.24Å; L204-L221 HydrophobicContact CB-CD1 3.59Å; L204-L221 HydrophobicContact CD1-CD1 4.1Å; L204-L221 HydrophobicContact CG-CD1 4.5Å; L204-V225 HydrophobicContact CD1-CG2 4.06Å
205	K	91.8	Very high	89.2	Confident	94 Å²	94	71 Å²	71	41%	0.409	41%	0.409	S	S	.	.	H	α-helix	trans	-56.5	-50.4	-179.1	171	177.5	-172.5	-167.6	0	112.7	Y201 I207 F208 L209 L221	Y201-K205 HydrophobicContact CD1-CD 4.37Å; Y201-K205 HydrophobicContact CE1-CB 4.39Å; Y201-K205 HydrophobicContact CE1-CD 3.64Å; Y201-K205 WeakPolarHBondContact O-CB 3.32Å; Y201-K205 PolarHBondContact O-N 3.44Å; K205-I207 PolarHBondContact O-N 2.93Å; K205-F208 PolarHBondContact O-N 3.47Å; K205-L209 HydrophobicContact CG-CB 4.19Å; K205-L209 HydrophobicContact CG-CD1 4.1Å; K205-L209 HydrophobicContact CG-CG 4.43Å; K205-L209 WeakPolarHBondContact O-CA 3.18Å; K205-L209 WeakPolarHBondContact O-CB 3.23Å; K205-L209 PolarHBondContact O-N 2.88Å; K205-L221 HydrophobicContact CB-CD2 4.03Å
206	P	88.9	Confident	88.8	Confident	100 Å²	100	73.6 Å²	73.6	65%	0.649	43%	0.428	S	S	*	.	H	α-helix	trans	-64.1	-24	178.8	-21.9	34.1	0	0	0	113.8	D202	D202-P206 WeakPolarHBondContact O-CD 3.47Å; D202-P206 WeakPolarHBondContact O-CG 3.26Å
207	I	89.6	Confident	88.4	Confident	114 Å²	114	73.8 Å²	73.8	59%	0.585	43%	0.432	S	S	*	.	H	α-helix	trans	-80.2	-43.2	-179.4	-59.3	172.8	0	0	0	110.7	T203 L204 K205	T203-I207 VanDerWaalsContact O-CD1 3.29Å; T203-I207 WeakPolarHBondContact O-CD1 3.49Å; T203-I207 WeakPolarHBondContact O-CG1 3.28Å; L204-I207 PolarHBondContact O-N 3.05Å; L204-I207 VanDerWaalsContact O-N 3.12Å; K205-I207 PolarHBondContact O-N 2.93Å
208	F	88	Confident	88	Confident	123 Å²	123	74.1 Å²	74.1	54%	0.539	44%	0.44	S	S	.	.	H	α-helix	trans	-104.9	-24.6	-171	-66.9	-72.6	0	0	0	114.6	L204 K205 L221	L204-F208 HydrophobicContact CB-CD2 4.03Å; L204-F208 HydrophobicContact CB-CE2 4.33Å; L204-F208 HydrophobicContact CD2-CD2 4.32Å; L204-F208 HydrophobicContact CD2-CE2 3.75Å; L204-F208 VanDerWaalsContact O-CD2 3.28Å; L204-F208 WeakPolarHBondContact O-CD2 2.89Å; L204-F208 PolarHBondContact O-N 3.24Å; K205-F208 PolarHBondContact O-N 3.47Å; F208-L221 HydrophobicContact CD2-CD1 4.42Å
209	L	87.4	Confident	87.8	Confident	21 Å²	21	77.5 Å²	77.5	11%	0.11	45%	0.454	C	S	.	.			trans	-111.4	96.4	-178.5	-53.1	-173.8	0	0	0	110	K205 A213 I217 L221	K205-L209 HydrophobicContact CG-CB 4.19Å; K205-L209 HydrophobicContact CG-CD1 4.1Å; K205-L209 HydrophobicContact CG-CG 4.43Å; K205-L209 WeakPolarHBondContact O-CA 3.18Å; K205-L209 WeakPolarHBondContact O-CB 3.23Å; K205-L209 PolarHBondContact O-N 2.88Å; L209-A213 HydrophobicContact CB-CB 3.84Å; L209-A213 HydrophobicContact CD2-CB 3.72Å; L209-A213 HydrophobicContact CG-CB 4.34Å; L209-I217 HydrophobicContact CD2-CB 4.19Å; L209-I217 HydrophobicContact CD2-CG2 3.56Å; L209-L221 HydrophobicContact CD1-CD2 3.65Å; L209-L221 HydrophobicContact CD2-CD2 4.39Å; L209-L221 HydrophobicContact CG-CD2 3.71Å
210	G	81.2	Confident	87.7	Confident	46 Å²	46	80.6 Å²	80.6	47%	0.474	47%	0.472	S	S	.	.			trans	-72.4	-178.9	164.1	0	0	0	0	0	112.7	D212 A213	G210-D212 PolarHBondContact O-N 2.95Å; G210-A213 WeakPolarHBondContact O-CB 3.23Å; G210-A213 PolarHBondContact O-N 3.38Å
211	P	77.7	Confident	87.6	Confident	136 Å²	136	79.1 Å²	79.1	88%	0.883	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.3	-178.3	-25.6	34.3	0	0	0	114
212	D	78.8	Confident	87.5	Confident	159 Å²	159	77.1 Å²	77.1	85%	0.85	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	22.2	-175.4	-55.9	-52.3	0	0	0	113.3	G210 G214	G210-D212 PolarHBondContact O-N 2.95Å; D212-G214 PolarHBondContact O-N 3.12Å; D212-G214 VanDerWaalsContact O-N 3.08Å
213	A	81	Confident	87.6	Confident	31 Å²	31	77 Å²	77	26%	0.256	46%	0.457	S	S	.	.			trans	-61.2	118	-176.7	0	0	0	0	0	111.6	L209 G210	L209-A213 HydrophobicContact CB-CB 3.84Å; L209-A213 HydrophobicContact CD2-CB 3.72Å; L209-A213 HydrophobicContact CG-CB 4.34Å; G210-A213 WeakPolarHBondContact O-CB 3.23Å; G210-A213 PolarHBondContact O-N 3.38Å
214	G	85.3	Confident	87.7	Confident	38 Å²	38	74.6 Å²	74.6	39%	0.392	45%	0.448	S	S	.	.			trans	-59.2	156.3	-179.6	0	0	0	0	0	113.3	D212 A216 I217 S218	D212-G214 PolarHBondContact O-N 3.12Å; D212-G214 VanDerWaalsContact O-N 3.08Å; G214-A216 PolarHBondContact O-N 3.4Å; G214-A216 VanDerWaalsContact O-N 3.15Å; G214-I217 PolarHBondContact O-N 3.27Å; G214-I217 VanDerWaalsContact O-N 3.12Å; G214-S218 PolarHBondContact O-N 3.03Å; G214-S218 VanDerWaalsContact O-N 3.11Å; G214-S218 PolarHBondContact O-OG 3.38Å
215	V	84.8	Confident	87.8	Confident	132 Å²	132	72.3 Å²	72.3	80%	0.8	44%	0.437	S	S	*	.	H	α-helix	trans	-54	-37.4	-179.7	178.7	0	0	0	0	111.9	S218 F219	V215-S218 PolarHBondContact O-N 3.26Å; V215-F219 WeakPolarHBondContact O-CB 3.15Å; V215-F219 PolarHBondContact O-N 3.05Å
216	A	87.3	Confident	88	Confident	71 Å²	71	70.3 Å²	70.3	59%	0.587	43%	0.432	S	S	*	.	H	α-helix	trans	-63.2	-46.6	179	0	0	0	0	0	112.7	G214 F219 C220	G214-A216 PolarHBondContact O-N 3.4Å; G214-A216 VanDerWaalsContact O-N 3.15Å; A216-F219 PolarHBondContact O-N 3.02Å; A216-C220 PolarHBondContact O-N 2.9Å; A216-C220 PolarHBondContact O-SG 2.9Å
217	I	88.9	Confident	88.3	Confident	92 Å²	92	67 Å²	67	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-67.4	-42.6	179.9	-56.7	177.3	0	0	0	109.9	L209 G214 F219 C220 L221	L209-I217 HydrophobicContact CD2-CB 4.19Å; L209-I217 HydrophobicContact CD2-CG2 3.56Å; G214-I217 PolarHBondContact O-N 3.27Å; G214-I217 VanDerWaalsContact O-N 3.12Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.33Å; I217-C220 PolarHBondContact O-N 2.74Å; I217-L221 PolarHBondContact O-N 3.09Å
218	S	87.7	Confident	88.7	Confident	42 Å²	42	64.6 Å²	64.6	29%	0.294	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-40.7	175.2	-67.7	0	0	0	0	112.3	G214 V215 G222	G214-S218 PolarHBondContact O-N 3.03Å; G214-S218 VanDerWaalsContact O-N 3.11Å; G214-S218 PolarHBondContact O-OG 3.38Å; V215-S218 PolarHBondContact O-N 3.26Å; S218-G222 PolarHBondContact O-N 3.13Å
219	F	88	Confident	89.1	Confident	117 Å²	117	58.7 Å²	58.7	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-48	174.6	178.3	-92.4	0	0	0	111.7	V215 A216 I217 L221 G222 Y223 A287	V215-F219 WeakPolarHBondContact O-CB 3.15Å; V215-F219 PolarHBondContact O-N 3.05Å; A216-F219 PolarHBondContact O-N 3.02Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.33Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.4Å; F219-G222 PolarHBondContact O-N 3Å; F219-Y223 VanDerWaalsContact O-CB 3.24Å; F219-Y223 WeakPolarHBondContact O-CB 3.25Å; F219-Y223 PolarHBondContact O-N 2.79Å; F219-A287 HydrophobicContact CE2-CB 4.3Å; F219-A287 HydrophobicContact CZ-CB 4.22Å
220	C	91.5	Very high	89.6	Confident	84 Å²	84	58.2 Å²	58.2	57%	0.568	38%	0.375	S	S	*	.	H	α-helix	trans	-58.1	-44.5	178.2	-73.1	0	0	0	0	111.7	A216 I217 G224	A216-C220 PolarHBondContact O-N 2.9Å; A216-C220 PolarHBondContact O-SG 2.9Å; I217-C220 PolarHBondContact O-N 2.74Å; C220-G224 PolarHBondContact O-N 3.42Å
221	L	92.1	Very high	90.4	Very high	20 Å²	20	58.8 Å²	58.8	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-52.1	175.8	178.7	64.9	0	0	0	111.3	Y201 L204 K205 F208 L209 I217 F219 Y223 G224 V225	Y201-L221 HydrophobicContact CE2-CD2 4.33Å; L204-L221 HydrophobicContact CB-CD1 3.59Å; L204-L221 HydrophobicContact CD1-CD1 4.1Å; L204-L221 HydrophobicContact CG-CD1 4.5Å; K205-L221 HydrophobicContact CB-CD2 4.03Å; F208-L221 HydrophobicContact CD2-CD1 4.42Å; L209-L221 HydrophobicContact CD1-CD2 3.65Å; L209-L221 HydrophobicContact CD2-CD2 4.39Å; L209-L221 HydrophobicContact CG-CD2 3.71Å; I217-L221 PolarHBondContact O-N 3.09Å; F219-L221 VanDerWaalsContact C-N 3.32Å; F219-L221 PolarHBondContact O-N 3.4Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 3.37Å; L221-G224 PolarHBondContact O-N 3.46Å; L221-V225 HydrophobicContact CD1-CG2 4.17Å; L221-V225 WeakPolarHBondContact O-CG2 3.26Å; L221-V225 PolarHBondContact O-N 3.41Å
222	G	91.9	Very high	91.3	Very high	14 Å²	14	55.9 Å²	55.9	14%	0.144	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-39.6	-179	0	0	0	0	0	112.7	S218 F219 T226	S218-G222 PolarHBondContact O-N 3.13Å; F219-G222 PolarHBondContact O-N 3Å; G222-T226 WeakPolarHBondContact O-CB 3.34Å; G222-T226 PolarHBondContact O-N 2.83Å; G222-T226 PolarHBondContact O-OG1 3.49Å
223	Y	92.1	Very high	92.2	Very high	51 Å²	51	49 Å²	49	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-70.4	-44.6	176.7	-171.1	-103.8	0	0	0	111.9	F219 L221 V225 T226 V227 I280 V284	F219-Y223 VanDerWaalsContact O-CB 3.24Å; F219-Y223 WeakPolarHBondContact O-CB 3.25Å; F219-Y223 PolarHBondContact O-N 2.79Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 3.37Å; Y223-V225 PolarHBondContact O-N 3.28Å; Y223-T226 WeakPolarHBondContact O-CB 3.12Å; Y223-T226 PolarHBondContact O-N 3.3Å; Y223-T226 VanDerWaalsContact O-N 3.14Å; Y223-V227 HydrophobicContact CD1-CG2 4.03Å; Y223-V227 HydrophobicContact CE1-CG2 3.51Å; Y223-V227 HydrophobicContact CE2-CG2 4.16Å; Y223-V227 WeakPolarHBondContact O-CG2 3.44Å; Y223-V227 PolarHBondContact O-N 3.26Å; Y223-I280 PolarHBondContact OH-O 3.05Å; Y223-V284 HydrophobicContact CE1-CG2 4.07Å; Y223-V284 HydrophobicContact CE2-CG2 4.4Å; Y223-V284 WeakPolarHBondContact OH-CG2 3.42Å; Y223-V284 PolarHBondContact OH-N 3.01Å
224	G	94.6	Very high	93	Very high	31 Å²	31	47.7 Å²	47.7	32%	0.32	30%	0.296	S	S	.	.	H	α-helix	trans	-57.6	-47.9	175.6	0	0	0	0	0	112	C220 L221 T226 V227 T228	C220-G224 PolarHBondContact O-N 3.42Å; L221-G224 PolarHBondContact O-N 3.46Å; G224-T226 PolarHBondContact O-N 2.83Å; G224-V227 PolarHBondContact O-N 3.41Å; G224-T228 WeakPolarHBondContact O-CB 3.45Å; G224-T228 PolarHBondContact O-N 3.49Å; G224-T228 PolarHBondContact O-OG1 2.99Å
225	V	95.7	Very high	93.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46.8	173.4	171.4	0	0	0	0	111.1	Y197 L200 Y201 L204 L221 Y223 V227 T228 S229	Y197-V225 HydrophobicContact CD2-CG1 3.83Å; Y197-V225 HydrophobicContact CE2-CG1 4.14Å; Y197-V225 HydrophobicContact CG-CG1 4.13Å; Y197-V225 WeakPolarHBondContact O-CG1 3.29Å; L200-V225 HydrophobicContact CB-CG1 4.03Å; L200-V225 HydrophobicContact CB-CG2 4.09Å; Y201-V225 HydrophobicContact CD2-CG2 4.36Å; L204-V225 HydrophobicContact CD1-CG2 4.06Å; L221-V225 HydrophobicContact CD1-CG2 4.17Å; L221-V225 WeakPolarHBondContact O-CG2 3.26Å; L221-V225 PolarHBondContact O-N 3.41Å; Y223-V225 PolarHBondContact O-N 3.28Å; V225-V227 VanDerWaalsContact C-N 3.32Å; V225-V227 PolarHBondContact O-N 3.47Å; V225-T228 PolarHBondContact O-N 3.42Å; V225-S229 WeakPolarHBondContact O-CB 3.38Å; V225-S229 PolarHBondContact O-N 2.85Å; V225-S229 PolarHBondContact O-OG 3.41Å
226	T	94.7	Very high	94.3	Very high	51 Å²	51	42.8 Å²	42.8	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-45	178.9	-64.2	0	0	0	0	112.1	G222 Y223 G224 G230	G222-T226 WeakPolarHBondContact O-CB 3.34Å; G222-T226 PolarHBondContact O-N 2.83Å; G222-T226 PolarHBondContact O-OG1 3.49Å; Y223-T226 WeakPolarHBondContact O-CB 3.12Å; Y223-T226 PolarHBondContact O-N 3.3Å; Y223-T226 VanDerWaalsContact O-N 3.14Å; G224-T226 PolarHBondContact O-N 2.83Å; T226-G230 PolarHBondContact O-N 3.07Å
227	V	96.1	Very high	94.8	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-50.5	178.7	169.3	0	0	0	0	110.5	Y223 G224 V225 G230 L231 I280	Y223-V227 HydrophobicContact CD1-CG2 4.03Å; Y223-V227 HydrophobicContact CE1-CG2 3.51Å; Y223-V227 HydrophobicContact CE2-CG2 4.16Å; Y223-V227 WeakPolarHBondContact O-CG2 3.44Å; Y223-V227 PolarHBondContact O-N 3.26Å; G224-V227 PolarHBondContact O-N 3.41Å; V225-V227 VanDerWaalsContact C-N 3.32Å; V225-V227 PolarHBondContact O-N 3.47Å; V227-G230 CarbonylContact O-C 3.57Å; V227-G230 WeakPolarHBondContact O-CA 3.39Å; V227-G230 PolarHBondContact O-N 2.89Å; V227-L231 HydrophobicContact CG1-CD1 3.98Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 WeakPolarHBondContact O-CG 3.26Å; V227-L231 PolarHBondContact O-N 3.1Å; V227-I280 HydrophobicContact CG1-CD1 3.91Å; V227-I280 HydrophobicContact CG1-CG1 3.98Å; V227-I280 HydrophobicContact CG2-CG2 4.21Å
228	T	97.3	Very high	95.3	Very high	64 Å²	64	36.5 Å²	36.5	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-49.7	-178.3	-59.8	0	0	0	0	111.7	L200 G224 V225 G230 L231 I232	L200-T228 HydrophobicContact CD1-CG2 3.67Å; G224-T228 WeakPolarHBondContact O-CB 3.45Å; G224-T228 PolarHBondContact O-N 3.49Å; G224-T228 PolarHBondContact O-OG1 2.99Å; V225-T228 PolarHBondContact O-N 3.42Å; T228-G230 VanDerWaalsContact C-N 3.27Å; T228-G230 PolarHBondContact O-N 2.69Å; T228-L231 PolarHBondContact O-N 2.7Å; T228-I232 HydrophobicContact CG2-CD1 3.96Å; T228-I232 WeakPolarHBondContact O-CG1 3.46Å; T228-I232 PolarHBondContact O-N 2.87Å
229	S	97.7	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-36.3	176.1	-51.7	0	0	0	0	112.1	F196 Y197 V225 S233	F196-S229 VanDerWaalsContact C-OG 3.26Å; F196-S229 PolarHBondContact O-OG 3.25Å; Y197-S229 WeakPolarHBondContact CA-OG 3.38Å; Y197-S229 PolarHBondContact N-OG 2.97Å; Y197-S229 VanDerWaalsContact N-OG 3.09Å; V225-S229 WeakPolarHBondContact O-CB 3.38Å; V225-S229 PolarHBondContact O-N 2.85Å; V225-S229 PolarHBondContact O-OG 3.41Å; S229-S233 WeakPolarHBondContact O-CB 3.06Å; S229-S233 PolarHBondContact O-N 3.23Å; S229-S233 VanDerWaalsContact O-N 3.09Å; S229-S233 PolarHBondContact O-OG 3.42Å
230	G	96.9	Very high	96.3	Very high	11 Å²	11	30.9 Å²	30.9	11%	0.113	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-38.9	175.4	0	0	0	0	0	112.9	T226 V227 T228 S233 Y234	T226-G230 PolarHBondContact O-N 3.07Å; V227-G230 CarbonylContact O-C 3.57Å; V227-G230 WeakPolarHBondContact O-CA 3.39Å; V227-G230 PolarHBondContact O-N 2.89Å; T228-G230 VanDerWaalsContact C-N 3.27Å; T228-G230 PolarHBondContact O-N 2.69Å; G230-S233 PolarHBondContact O-OG 3.22Å; G230-Y234 WeakPolarHBondContact O-CA 3.38Å; G230-Y234 WeakPolarHBondContact O-CB 3.37Å; G230-Y234 PolarHBondContact O-N 3.39Å
231	L	97.6	Very high	96.6	Very high	58 Å²	58	27.6 Å²	27.6	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-70.5	-44.1	176.8	-73	174.8	0	0	0	112	V227 T228 S233 Y234 M273 A276 I280	V227-L231 HydrophobicContact CG1-CD1 3.98Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 WeakPolarHBondContact O-CG 3.26Å; V227-L231 PolarHBondContact O-N 3.1Å; T228-L231 PolarHBondContact O-N 2.7Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 3.27Å; L231-Y234 VanDerWaalsContact O-CB 3.23Å; L231-Y234 WeakPolarHBondContact O-CB 3.37Å; L231-Y234 PolarHBondContact O-N 3Å; L231-Y234 VanDerWaalsContact O-N 3.13Å; L231-M273 HydrophobicContact CD2-CE 4.05Å; L231-A276 HydrophobicContact CD2-CB 3.85Å; L231-I280 HydrophobicContact CD1-CD1 4.25Å; L231-I280 HydrophobicContact CD2-CD1 4.21Å
232	I	97.7	Very high	96.9	Very high	75 Å²	75	26.6 Å²	26.6	39%	0.385	16%	0.156	S	C	.	.	H	α-helix	trans	-62.5	-39.8	178.7	-64.3	166.3	0	0	0	111.2	F196 T228 Y234 P235	F196-I232 HydrophobicContact CD1-CD1 3.72Å; F196-I232 HydrophobicContact CD1-CG2 4.39Å; F196-I232 HydrophobicContact CD2-CB 4.24Å; F196-I232 HydrophobicContact CD2-CG2 3.55Å; F196-I232 HydrophobicContact CE1-CD1 4.01Å; F196-I232 HydrophobicContact CE1-CG2 4.16Å; F196-I232 HydrophobicContact CE2-CB 4.4Å; F196-I232 HydrophobicContact CE2-CG2 3.27Å; F196-I232 HydrophobicContact CG-CB 4.5Å; F196-I232 HydrophobicContact CG-CD1 4.01Å; F196-I232 HydrophobicContact CG-CG2 4.13Å; F196-I232 HydrophobicContact CZ-CG2 3.61Å; T228-I232 HydrophobicContact CG2-CD1 3.96Å; T228-I232 WeakPolarHBondContact O-CG1 3.46Å; T228-I232 PolarHBondContact O-N 2.87Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-P235 WeakPolarHBondContact O-CD 3.28Å
233	S	97.5	Very high	97.2	Very high	14 Å²	14	26.6 Å²	26.6	10%	0.098	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.1	177.2	60	0	0	0	0	114.1	S229 G230 L231 I236 D237	S229-S233 WeakPolarHBondContact O-CB 3.06Å; S229-S233 PolarHBondContact O-N 3.23Å; S229-S233 VanDerWaalsContact O-N 3.09Å; S229-S233 PolarHBondContact O-OG 3.42Å; G230-S233 PolarHBondContact O-OG 3.22Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 3.27Å; S233-I236 WeakPolarHBondContact O-CB 3.42Å; S233-I236 PolarHBondContact O-N 3.5Å; S233-I236 VanDerWaalsContact O-N 3.11Å; S233-D237 PolarHBondContact O-N 2.99Å
234	Y	98.1	Very high	97.5	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-38.5	-174.5	-160.8	-93.1	0	0	0	114.2	K38 Q42 G230 L231 I232 I236 D237 T238 L272 M273 K274 G275 A276 N279	K38-Y234 VanDerWaalsContact CE-OH 3.26Å; K38-Y234 WeakPolarHBondContact CE-OH 3.18Å; Q42-Y234 PolarHBondContact NE2-OH 2.86Å; G230-Y234 WeakPolarHBondContact O-CA 3.38Å; G230-Y234 WeakPolarHBondContact O-CB 3.37Å; G230-Y234 PolarHBondContact O-N 3.39Å; L231-Y234 VanDerWaalsContact O-CB 3.23Å; L231-Y234 WeakPolarHBondContact O-CB 3.37Å; L231-Y234 PolarHBondContact O-N 3Å; L231-Y234 VanDerWaalsContact O-N 3.13Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-I236 PolarHBondContact O-N 3.36Å; Y234-D237 WeakPolarHBondContact O-CB 3.32Å; Y234-D237 PolarHBondContact O-N 2.86Å; Y234-T238 WeakPolarHBondContact CE1-OG1 3.27Å; Y234-T238 PolarHBondContact O-N 3.49Å; Y234-T238 PolarHBondContact O-OG1 2.9Å; Y234-L272 VanDerWaalsContact CD1-O 3.27Å; Y234-L272 WeakPolarHBondContact CD1-O 3.38Å; Y234-M273 HydrophobicContact CD1-CE 4.29Å; Y234-M273 HydrophobicContact CD1-SD 4.03Å; Y234-M273 HydrophobicContact CG-CE 4.37Å; Y234-M273 HydrophobicContact CG-SD 4.45Å; Y234-K274 VanDerWaalsContact CE1-O 3.3Å; Y234-K274 WeakPolarHBondContact CE1-O 3.34Å; Y234-K274 PolarHBondContact OH-O 2.79Å; Y234-G275 PolarHBondContact OH-O 2.98Å; Y234-A276 HydrophobicContact CD1-CB 4.09Å; Y234-A276 HydrophobicContact CD2-CB 4.38Å; Y234-A276 HydrophobicContact CE1-CB 4Å; Y234-A276 HydrophobicContact CE2-CB 4.3Å; Y234-A276 HydrophobicContact CG-CB 4.27Å; Y234-A276 PolarHBondContact OH-N 2.94Å; Y234-N279 HydrophobicContact CE2-CB 3.74Å
235	P	98.4	Very high	97.7	Very high	37 Å²	37	22.9 Å²	22.9	24%	0.24	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-36.7	174.4	-29	37.9	0	0	0	113.4	I232 T238 I239 L272 M273	I232-P235 WeakPolarHBondContact O-CD 3.28Å; P235-T238 PolarHBondContact O-N 3.3Å; P235-I239 WeakPolarHBondContact O-CD1 3.31Å; P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 2.8Å; P235-L272 HydrophobicContact CB-CB 3.98Å; P235-L272 HydrophobicContact CB-CD1 4.24Å; P235-L272 HydrophobicContact CB-CG 4.49Å; P235-L272 HydrophobicContact CG-CB 4.38Å; P235-M273 HydrophobicContact CG-SD 3.77Å
236	I	98.3	Very high	97.8	Very high	30 Å²	30	22.9 Å²	22.9	15%	0.154	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-42.1	176.6	-68.4	166.6	0	0	0	110.8	I185 V188 V192 S233 Y234 T238 I239 R240	I185-I236 HydrophobicContact CD1-CG1 4.33Å; I185-I236 HydrophobicContact CD1-CG2 4.02Å; I185-I236 HydrophobicContact CG1-CG2 3.93Å; I185-I236 VanDerWaalsContact O-CG2 3.23Å; I185-I236 WeakPolarHBondContact O-CG2 3.42Å; V188-I236 HydrophobicContact CG1-CD1 4.49Å; V192-I236 HydrophobicContact CB-CD1 3.95Å; V192-I236 HydrophobicContact CG1-CD1 4Å; V192-I236 HydrophobicContact CG2-CD1 3.81Å; S233-I236 WeakPolarHBondContact O-CB 3.42Å; S233-I236 PolarHBondContact O-N 3.5Å; S233-I236 VanDerWaalsContact O-N 3.11Å; Y234-I236 PolarHBondContact O-N 3.36Å; I236-T238 VanDerWaalsContact C-N 3.34Å; I236-I239 PolarHBondContact O-N 2.92Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 3.42Å
237	D	98.2	Very high	97.9	Very high	31 Å²	31	20.5 Å²	20.5	17%	0.166	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-43.4	173	-175.9	55.9	0	0	0	110.5	K38 Q42 S233 Y234 R240 R241	K38-D237 IonicContact NZ-OD2 3.63Å; K38-D237 PolarHBondContact NZ-OD2 3.07Å; Q42-D237 PolarHBondContact NE2-OD2 2.83Å; S233-D237 PolarHBondContact O-N 2.99Å; Y234-D237 WeakPolarHBondContact O-CB 3.32Å; Y234-D237 PolarHBondContact O-N 2.86Å; D237-R240 WeakPolarHBondContact O-CB 3.22Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R241 WeakPolarHBondContact O-CG 3.44Å; D237-R241 PolarHBondContact O-N 3.18Å; D237-R241 IonicContact OD1-NE 3.67Å; D237-R241 PolarHBondContact OD1-NE 3.05Å; D237-R241 IonicContact OD1-NH2 3.08Å
238	T	98.5	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-49.1	177.7	-60.8	0	0	0	0	111.5	Q42 Y234 P235 I236 R240 R241 R242 L272	Q42-T238 HydrophobicContact CG-CG2 4.04Å; Q42-T238 PolarHBondContact NE2-OG1 3.07Å; Y234-T238 WeakPolarHBondContact CE1-OG1 3.27Å; Y234-T238 PolarHBondContact O-N 3.49Å; Y234-T238 PolarHBondContact O-OG1 2.9Å; P235-T238 PolarHBondContact O-N 3.3Å; I236-T238 VanDerWaalsContact C-N 3.34Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 3.45Å; T238-R241 PolarHBondContact O-N 3.27Å; T238-R241 VanDerWaalsContact O-N 3.14Å; T238-R242 HydrophobicContact CG2-CG 4.03Å; T238-R242 WeakPolarHBondContact O-CB 3.19Å; T238-R242 WeakPolarHBondContact O-CG 3.32Å; T238-R242 PolarHBondContact O-N 3.19Å; T238-L272 VanDerWaalsContact CB-O 3.31Å; T238-L272 WeakPolarHBondContact CB-O 3.24Å; T238-L272 HydrophobicContact CG2-CD2 4.3Å; T238-L272 PolarHBondContact OG1-O 3.22Å
239	I	98.6	Very high	97.6	Very high	14 Å²	14	20 Å²	20	7%	0.072	12%	0.116	C	C	.	.	H	α-helix	trans	-56.1	-46.9	176	-68.5	158.4	0	0	0	110.8	I185 P235 I236 R241 R242 M243 C259 A260 I263 L272	I185-I239 HydrophobicContact CG1-CB 4.5Å; I185-I239 HydrophobicContact CG1-CG2 4.05Å; I185-I239 HydrophobicContact CG2-CG2 4.41Å; P235-I239 WeakPolarHBondContact O-CD1 3.31Å; P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 2.8Å; I236-I239 PolarHBondContact O-N 2.92Å; I239-R241 PolarHBondContact O-N 3.45Å; I239-R242 PolarHBondContact O-N 2.93Å; I239-M243 HydrophobicContact CG2-CG 4.47Å; I239-M243 HydrophobicContact CG2-SD 4.11Å; I239-M243 VanDerWaalsContact O-CG 3.28Å; I239-M243 WeakPolarHBondContact O-CG 3.4Å; I239-M243 PolarHBondContact O-N 2.86Å; I239-C259 HydrophobicContact CG2-CB 4.02Å; I239-A260 HydrophobicContact CD1-CB 3.7Å; I239-A260 HydrophobicContact CG1-CB 4.25Å; I239-I263 HydrophobicContact CG1-CD1 4.47Å; I239-L272 HydrophobicContact CD1-CD2 4.22Å; I239-L272 HydrophobicContact CG1-CD2 3.79Å
240	R	98.5	Very high	97.3	Very high	28 Å²	28	25.2 Å²	25.2	11%	0.106	16%	0.159	C	C	.	.	H	α-helix	trans	-53.2	-52.8	175.5	168.4	-170.3	-173.7	179.5	1.3	111.2	D139 I185 S186 I236 D237 T238 M243 M244	D139-R240 VanDerWaalsContact CB-NH2 3.33Å; D139-R240 IonicContact OD2-CZ 2.87Å; D139-R240 IonicContact OD2-NH1 2.96Å; D139-R240 IonicContact OD2-NH2 2.76Å; D139-R240 PolarHBondContact OD2-NH2 3.25Å; I185-R240 HydrophobicContact CG2-CB 4.17Å; S186-R240 WeakPolarHBondContact OG-CD 3.37Å; S186-R240 WeakPolarHBondContact OG-CG 3.3Å; S186-R240 PolarHBondContact OG-NE 2.9Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 3.42Å; D237-R240 WeakPolarHBondContact O-CB 3.22Å; D237-R240 PolarHBondContact O-N 2.99Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 3.45Å; R240-M243 PolarHBondContact O-N 3.42Å; R240-M244 HydrophobicContact CG-CE 3.95Å; R240-M244 HydrophobicContact CG-SD 4.4Å; R240-M244 VanDerWaalsContact NE-CE 3.27Å; R240-M244 WeakPolarHBondContact O-CG 3.5Å; R240-M244 PolarHBondContact O-N 3.35Å; R240-M244 VanDerWaalsContact O-N 3.08Å
241	R	98.5	Very high	97	Very high	14 Å²	14	30.8 Å²	30.8	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-39.2	-174.4	-62.3	-71.2	175.2	-170	-0	111.4	N43 D139 T143 D237 T238 I239 M243 M244 M245	N43-R241 VanDerWaalsContact OD1-C 3.28Å; N43-R241 VanDerWaalsContact OD1-CB 3.27Å; N43-R241 WeakPolarHBondContact OD1-CB 3.26Å; D139-R241 PolarHBondContact O-NH1 2.8Å; T143-R241 HydrophobicContact CG2-CB 4.36Å; T143-R241 WeakPolarHBondContact OG1-CD 3.39Å; T143-R241 PolarHBondContact OG1-NH1 2.99Å; D237-R241 WeakPolarHBondContact O-CG 3.44Å; D237-R241 PolarHBondContact O-N 3.18Å; D237-R241 IonicContact OD1-NE 3.67Å; D237-R241 PolarHBondContact OD1-NE 3.05Å; D237-R241 IonicContact OD1-NH2 3.08Å; T238-R241 PolarHBondContact O-N 3.27Å; T238-R241 VanDerWaalsContact O-N 3.14Å; I239-R241 PolarHBondContact O-N 3.45Å; R241-M243 PolarHBondContact O-N 3.01Å; R241-M244 WeakPolarHBondContact O-CB 3.5Å; R241-M244 PolarHBondContact O-N 3.33Å; R241-M245 WeakPolarHBondContact O-CG 3.44Å; R241-M245 PolarHBondContact O-N 2.98Å
242	R	98.3	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-42	173.6	-64.6	-71.5	-179.1	132.7	0.5	111.9	Q42 N43 D45 E46 T238 I239 M245 Y253 I263 E267	Q42-R242 PolarHBondContact O-NE 3.07Å; Q42-R242 PolarHBondContact O-NH2 3.17Å; N43-R242 PolarHBondContact OD1-N 3.19Å; D45-R242 IonicContact OD2-CZ 2.72Å; D45-R242 IonicContact OD2-NH1 2.74Å; D45-R242 PolarHBondContact OD2-NH1 2.84Å; D45-R242 IonicContact OD2-NH2 3.41Å; D45-R242 PolarHBondContact OD2-NH2 2.99Å; E46-R242 HydrophobicContact CG-CB 4.34Å; E46-R242 HydrophobicContact CG-CG 4.43Å; E46-R242 IonicContact OE1-NH1 3.07Å; T238-R242 HydrophobicContact CG2-CG 4.03Å; T238-R242 WeakPolarHBondContact O-CB 3.19Å; T238-R242 WeakPolarHBondContact O-CG 3.32Å; T238-R242 PolarHBondContact O-N 3.19Å; I239-R242 PolarHBondContact O-N 2.93Å; R242-M245 WeakPolarHBondContact O-CB 3.37Å; R242-M245 PolarHBondContact O-N 3.09Å; R242-M245 VanDerWaalsContact O-N 3.17Å; R242-Y253 HydrophobicContact CB-CE2 4.18Å; R242-I263 HydrophobicContact CB-CD1 4.3Å; R242-I263 HydrophobicContact CG-CD1 3.99Å; R242-E267 IonicContact CZ-OE2 3.82Å; R242-E267 IonicContact NH1-OE1 3.11Å; R242-E267 IonicContact NH1-OE2 3.42Å; R242-E267 PolarHBondContact NH1-OE2 3.19Å; R242-E267 IonicContact NH2-OE2 3.52Å
243	M	98.6	Very high	96.9	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.069	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-41.5	174.5	-69.9	-178.3	78.1	0	0	113	I185 I239 R240 R241 M245 T246 Y253 S256 C259	I185-M243 HydrophobicContact CG2-SD 4.09Å; I239-M243 HydrophobicContact CG2-CG 4.47Å; I239-M243 HydrophobicContact CG2-SD 4.11Å; I239-M243 VanDerWaalsContact O-CG 3.28Å; I239-M243 WeakPolarHBondContact O-CG 3.4Å; I239-M243 PolarHBondContact O-N 2.86Å; R240-M243 PolarHBondContact O-N 3.42Å; R241-M243 PolarHBondContact O-N 3.01Å; M243-M245 PolarHBondContact O-N 3.46Å; M243-T246 PolarHBondContact O-N 2.91Å; M243-T246 VanDerWaalsContact O-N 3.1Å; M243-T246 PolarHBondContact O-OG1 3.35Å; M243-Y253 HydrophobicContact CG-CD2 4.06Å; M243-S256 PolarHBondContact SD-OG 3.38Å; M243-C259 HydrophobicContact CG-CB 3.94Å; M243-C259 HydrophobicContact SD-CB 4.34Å
244	M	98.5	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-26.3	175.1	-67.2	173	165.3	0	0	112.5	Y136 D139 Y140 T143 R144 R181 R240 R241 T246	Y136-M244 HydrophobicContact CD1-CE 4.46Å; Y136-M244 HydrophobicContact CD2-CE 4.4Å; Y136-M244 HydrophobicContact CE1-CE 3.69Å; Y136-M244 HydrophobicContact CE2-CE 3.62Å; Y136-M244 WeakPolarHBondContact OH-CE 3.5Å; D139-M244 HydrophobicContact CB-CE 4.11Å; Y140-M244 HydrophobicContact CD2-CB 3.87Å; Y140-M244 HydrophobicContact CD2-CG 4.05Å; Y140-M244 HydrophobicContact CE2-CB 4.34Å; Y140-M244 WeakPolarHBondContact CE2-O 3.43Å; T143-M244 HydrophobicContact CG2-CB 3.99Å; T143-M244 HydrophobicContact CG2-SD 4.11Å; R144-M244 WeakPolarHBondContact CD-O 3.39Å; R181-M244 WeakPolarHBondContact O-CG 3.36Å; R240-M244 HydrophobicContact CG-CE 3.95Å; R240-M244 HydrophobicContact CG-SD 4.4Å; R240-M244 VanDerWaalsContact NE-CE 3.27Å; R240-M244 WeakPolarHBondContact O-CG 3.5Å; R240-M244 PolarHBondContact O-N 3.35Å; R240-M244 VanDerWaalsContact O-N 3.08Å; R241-M244 WeakPolarHBondContact O-CB 3.5Å; R241-M244 PolarHBondContact O-N 3.33Å; M244-T246 PolarHBondContact O-N 3.47Å
245	M	98.1	Very high	96.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.5	178.8	-65.8	-58.6	-67.4	0	0	113.8	N43 E46 Q50 T143 R144 N147 R241 R242 M243 Q249	N43-M245 HydrophobicContact CB-CG 4.31Å; E46-M245 HydrophobicContact CB-CB 3.9Å; E46-M245 HydrophobicContact CB-CG 4.31Å; E46-M245 HydrophobicContact CG-CB 4.12Å; Q50-M245 PolarHBondContact NE2-O 2.9Å; T143-M245 HydrophobicContact CG2-CG 4.27Å; T143-M245 HydrophobicContact CG2-SD 3.86Å; R144-M245 VanDerWaalsContact NH1-CA 3.34Å; R144-M245 PolarHBondContact NH1-O 3.25Å; N147-M245 HydrophobicContact CB-CE 3.51Å; N147-M245 HydrophobicContact CB-SD 3.89Å; R241-M245 WeakPolarHBondContact O-CG 3.44Å; R241-M245 PolarHBondContact O-N 2.98Å; R242-M245 WeakPolarHBondContact O-CB 3.37Å; R242-M245 PolarHBondContact O-N 3.09Å; R242-M245 VanDerWaalsContact O-N 3.17Å; M243-M245 PolarHBondContact O-N 3.46Å; M245-Q249 WeakPolarHBondContact O-CG 3.25Å
246	T	97.5	Very high	96.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-11.6	-173.4	60.3	0	0	0	0	116.4	R181 M243 M244 Q249 K252 Y253	R181-T246 VanDerWaalsContact CD-OG1 3.29Å; R181-T246 WeakPolarHBondContact CD-OG1 3.18Å; M243-T246 PolarHBondContact O-N 2.91Å; M243-T246 VanDerWaalsContact O-N 3.1Å; M243-T246 PolarHBondContact O-OG1 3.35Å; M244-T246 PolarHBondContact O-N 3.47Å; T246-Q249 WeakPolarHBondContact O-CB 3.5Å; T246-Q249 PolarHBondContact O-N 3.34Å; T246-Q249 VanDerWaalsContact O-N 3.14Å; T246-K252 WeakPolarHBondContact O-CG 3.2Å; T246-Y253 HydrophobicContact CG2-CD2 3.57Å; T246-Y253 HydrophobicContact CG2-CE2 3.87Å; T246-Y253 HydrophobicContact CG2-CG 4.42Å
247	S	96.5	Very high	96.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	142.1	174.7	-25.2	0	0	0	0	110.6	Y140 R144 G178 R181 Q249	Y140-S247 VanDerWaalsContact CE2-OG 3.32Å; Y140-S247 WeakPolarHBondContact CE2-OG 3.12Å; Y140-S247 WeakPolarHBondContact OH-CB 3.49Å; Y140-S247 PolarHBondContact OH-OG 3.15Å; R144-S247 PolarHBondContact NH1-O 2.91Å; G178-S247 PolarHBondContact O-OG 3.23Å; R181-S247 WeakPolarHBondContact CD-OG 3.42Å; S247-Q249 PolarHBondContact O-N 3Å; S247-Q249 PolarHBondContact O-NE2 3.18Å
248	G	94.4	Very high	96.7	Very high	41 Å²	41	43.2 Å²	43.2	42%	0.423	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-2.7	-172.7	0	0	0	0	0	115	S173 D174	S173-G248 WeakPolarHBondContact OG-CA 3.32Å; S173-G248 PolarHBondContact OG-N 2.95Å; D174-G248 PolarHBondContact OD2-N 2.91Å
249	Q	93.9	Very high	96.7	Very high	44 Å²	44	43.2 Å²	43.2	21%	0.206	25%	0.25	C	C	.	.	S	Bend	trans	-94.9	153.1	178.8	-49.2	-49.2	-50.1	0	0	111.3	Q50 M245 T246 S247 K252	Q50-Q249 HydrophobicContact CG-CG 4.25Å; M245-Q249 WeakPolarHBondContact O-CG 3.25Å; T246-Q249 WeakPolarHBondContact O-CB 3.5Å; T246-Q249 PolarHBondContact O-N 3.34Å; T246-Q249 VanDerWaalsContact O-N 3.14Å; S247-Q249 PolarHBondContact O-N 3Å; S247-Q249 PolarHBondContact O-NE2 3.18Å; Q249-K252 WeakPolarHBondContact O-CE 3.48Å
250	A	90.7	Very high	96.7	Very high	108 Å²	108	43.5 Å²	43.5	89%	0.893	25%	0.254	S	S	*	.	S	Bend	trans	-65.6	-40.5	178.9	0	0	0	0	0	112.3
251	V	91.2	Very high	96.7	Very high	128 Å²	128	45.7 Å²	45.7	78%	0.776	27%	0.271	S	S	*	.	S	Bend	trans	-105.5	127.9	178.7	-177	0	0	0	0	109.2
252	K	94.9	Very high	96.6	Very high	67 Å²	67	48 Å²	48	29%	0.291	28%	0.282	S	S	.	.			trans	-129.4	146	-178.1	-47.4	-173.4	-173.8	173.8	0	110.5	D174 T246 Q249 K254	D174-K252 IonicContact OD1-NZ 3.31Å; D174-K252 PolarHBondContact OD1-NZ 2.91Å; D174-K252 IonicContact OD2-NZ 3.89Å; D174-K252 PolarHBondContact OD2-NZ 3.17Å; T246-K252 WeakPolarHBondContact O-CG 3.2Å; Q249-K252 WeakPolarHBondContact O-CE 3.48Å; K252-K254 PolarHBondContact O-N 2.9Å
253	Y	97.2	Very high	96.6	Very high	18 Å²	18	48 Å²	48	7%	0.071	28%	0.282	C	S	.	.			trans	-68.7	133	172.1	-62.3	-62.3	0	0	0	110.7	E46 R181 R242 M243 T246 H258 C259 E262	E46-Y253 PolarHBondContact OE1-OH 3.38Å; R181-Y253 PolarHBondContact NH1-O 3.25Å; R242-Y253 HydrophobicContact CB-CE2 4.18Å; M243-Y253 HydrophobicContact CG-CD2 4.06Å; T246-Y253 HydrophobicContact CG2-CD2 3.57Å; T246-Y253 HydrophobicContact CG2-CE2 3.87Å; T246-Y253 HydrophobicContact CG2-CG 4.42Å; Y253-H258 AromaticContact CD1-ND1 3.7Å; Y253-C259 VanDerWaalsContact CD1-CA 3.48Å; Y253-C259 HydrophobicContact CD1-CB 3.75Å; Y253-C259 HydrophobicContact CD2-CB 3.88Å; Y253-C259 VanDerWaalsContact CD2-SG 3.57Å; Y253-C259 HydrophobicContact CE1-CB 4.12Å; Y253-C259 HydrophobicContact CE2-CB 4.26Å; Y253-C259 WeakPolarHBondContact CE2-SG 3.48Å; Y253-C259 HydrophobicContact CG-CB 3.59Å; Y253-E262 HydrophobicContact CE1-CB 3.92Å; Y253-E262 HydrophobicContact CE1-CG 4.28Å
254	K	95.6	Very high	96.6	Very high	182 Å²	182	51.4 Å²	51.4	79%	0.791	30%	0.3	S	S	*	.	S	Bend	trans	-74.4	-35.4	179.3	-61.7	179	-178.8	177.4	0	112.4	K252 H258	K252-K254 PolarHBondContact O-N 2.9Å; K254-H258 HydrophobicContact CB-CB 4.35Å
255	S	97.3	Very high	96.6	Very high	52 Å²	52	59.1 Å²	59.1	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-154.8	171.3	179.5	70.6	0	0	0	0	110.1	V257 H258 C259	S255-V257 VanDerWaalsContact C-N 3.31Å; S255-H258 PolarHBondContact O-N 3.34Å; S255-H258 WeakPolarHBondContact OG-CB 3.28Å; S255-H258 PolarHBondContact OG-N 2.85Å; S255-C259 PolarHBondContact O-N 3.35Å
256	S	97.6	Very high	96.5	Very high	24 Å²	24	63.9 Å²	63.9	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-67.9	-32.4	175.7	-52.4	0	0	0	0	112.5	I185 M243 C259 A260	I185-S256 VanDerWaalsContact CB-OG 3.26Å; I185-S256 WeakPolarHBondContact CB-OG 3.22Å; I185-S256 WeakPolarHBondContact CG2-OG 3.37Å; M243-S256 PolarHBondContact SD-OG 3.38Å; S256-C259 PolarHBondContact O-N 3.47Å; S256-A260 WeakPolarHBondContact O-CB 3.19Å; S256-A260 PolarHBondContact O-N 3.49Å
257	V	98.1	Very high	96.4	Very high	107 Å²	107	65.8 Å²	65.8	65%	0.648	37%	0.368	S	S	*	.	H	α-helix	trans	-65.7	-47	172.1	179.9	0	0	0	0	110	S255 C259 A260 T261	S255-V257 VanDerWaalsContact C-N 3.31Å; V257-C259 VanDerWaalsContact C-N 3.3Å; V257-C259 PolarHBondContact O-N 3.01Å; V257-A260 WeakPolarHBondContact O-CB 3.38Å; V257-A260 PolarHBondContact O-N 3.28Å; V257-A260 VanDerWaalsContact O-N 3.13Å; V257-T261 PolarHBondContact O-N 3.46Å; V257-T261 PolarHBondContact O-OG1 2.8Å
258	H	98.1	Very high	96.4	Very high	59 Å²	59	66.8 Å²	66.8	27%	0.273	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-41.3	175.6	-178.9	-81.4	0	0	0	111.9	Y253 K254 S255 T261 E262	Y253-H258 AromaticContact CD1-ND1 3.7Å; K254-H258 HydrophobicContact CB-CB 4.35Å; S255-H258 PolarHBondContact O-N 3.34Å; S255-H258 WeakPolarHBondContact OG-CB 3.28Å; S255-H258 PolarHBondContact OG-N 2.85Å; H258-T261 PolarHBondContact O-N 2.94Å; H258-E262 WeakPolarHBondContact O-CB 3.21Å; H258-E262 VanDerWaalsContact O-CG 3.29Å; H258-E262 WeakPolarHBondContact O-CG 3.46Å; H258-E262 PolarHBondContact O-N 3.08Å
259	C	98.4	Very high	96.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.3	-48.1	173.5	-177.4	0	0	0	0	112	I239 M243 Y253 S255 S256 V257 T261 E262 I263	I239-C259 HydrophobicContact CG2-CB 4.02Å; M243-C259 HydrophobicContact CG-CB 3.94Å; M243-C259 HydrophobicContact SD-CB 4.34Å; Y253-C259 VanDerWaalsContact CD1-CA 3.48Å; Y253-C259 HydrophobicContact CD1-CB 3.75Å; Y253-C259 HydrophobicContact CD2-CB 3.88Å; Y253-C259 VanDerWaalsContact CD2-SG 3.57Å; Y253-C259 HydrophobicContact CE1-CB 4.12Å; Y253-C259 HydrophobicContact CE2-CB 4.26Å; Y253-C259 WeakPolarHBondContact CE2-SG 3.48Å; Y253-C259 HydrophobicContact CG-CB 3.59Å; S255-C259 PolarHBondContact O-N 3.35Å; S256-C259 PolarHBondContact O-N 3.47Å; V257-C259 VanDerWaalsContact C-N 3.3Å; V257-C259 PolarHBondContact O-N 3.01Å; C259-T261 PolarHBondContact O-N 3.37Å; C259-E262 PolarHBondContact O-N 3.42Å; C259-I263 VanDerWaalsContact O-CG1 3.26Å; C259-I263 WeakPolarHBondContact O-CG1 3.4Å; C259-I263 PolarHBondContact O-N 3.42Å
260	A	98.4	Very high	96.6	Very high	20 Å²	20	74.3 Å²	74.3	17%	0.165	41%	0.413	C	S	.	.	H	α-helix	trans	-60.1	-47	177.6	0	0	0	0	0	111.9	I239 S256 V257 E262 I263 L264	I239-A260 HydrophobicContact CD1-CB 3.7Å; I239-A260 HydrophobicContact CG1-CB 4.25Å; S256-A260 WeakPolarHBondContact O-CB 3.19Å; S256-A260 PolarHBondContact O-N 3.49Å; V257-A260 WeakPolarHBondContact O-CB 3.38Å; V257-A260 PolarHBondContact O-N 3.28Å; V257-A260 VanDerWaalsContact O-N 3.13Å; A260-E262 PolarHBondContact O-N 3.11Å; A260-I263 PolarHBondContact O-N 3.09Å; A260-L264 WeakPolarHBondContact O-CB 3.39Å; A260-L264 VanDerWaalsContact O-CG 3.26Å; A260-L264 WeakPolarHBondContact O-CG 3.47Å; A260-L264 PolarHBondContact O-N 2.86Å
261	T	98.4	Very high	96.9	Very high	74 Å²	74	69.2 Å²	69.2	45%	0.454	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-46.6	178.4	-57.4	0	0	0	0	111.7	V257 H258 C259 I263 L264 K265	V257-T261 PolarHBondContact O-N 3.46Å; V257-T261 PolarHBondContact O-OG1 2.8Å; H258-T261 PolarHBondContact O-N 2.94Å; C259-T261 PolarHBondContact O-N 3.37Å; T261-I263 VanDerWaalsContact C-N 3.35Å; T261-I263 PolarHBondContact O-N 3.36Å; T261-L264 PolarHBondContact O-N 2.89Å; T261-K265 WeakPolarHBondContact O-CB 3.46Å; T261-K265 PolarHBondContact O-N 3.07Å
262	E	97.8	Very high	97.2	Very high	64 Å²	64	64 Å²	64	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-39.4	178.3	-74.5	-62.2	124.5	0	0	112.2	Y253 H258 C259 A260 N266	Y253-E262 HydrophobicContact CE1-CB 3.92Å; Y253-E262 HydrophobicContact CE1-CG 4.28Å; H258-E262 WeakPolarHBondContact O-CB 3.21Å; H258-E262 VanDerWaalsContact O-CG 3.29Å; H258-E262 WeakPolarHBondContact O-CG 3.46Å; H258-E262 PolarHBondContact O-N 3.08Å; C259-E262 PolarHBondContact O-N 3.42Å; A260-E262 PolarHBondContact O-N 3.11Å; E262-N266 VanDerWaalsContact O-CB 3.3Å; E262-N266 WeakPolarHBondContact O-CB 3.22Å; E262-N266 PolarHBondContact O-N 3.12Å; E262-N266 PolarHBondContact O-ND2 3.44Å; E262-N266 PolarHBondContact OE2-ND2 2.99Å
263	I	98	Very high	97.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-49.5	175.9	-67	166.3	0	0	0	110.1	I239 R242 C259 A260 T261 K265 E267 G268 L272	I239-I263 HydrophobicContact CG1-CD1 4.47Å; R242-I263 HydrophobicContact CB-CD1 4.3Å; R242-I263 HydrophobicContact CG-CD1 3.99Å; C259-I263 VanDerWaalsContact O-CG1 3.26Å; C259-I263 WeakPolarHBondContact O-CG1 3.4Å; C259-I263 PolarHBondContact O-N 3.42Å; A260-I263 PolarHBondContact O-N 3.09Å; T261-I263 VanDerWaalsContact C-N 3.35Å; T261-I263 PolarHBondContact O-N 3.36Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 3.42Å; I263-E267 HydrophobicContact CG2-CB 4.36Å; I263-E267 CarbonylContact O-C 3.57Å; I263-E267 WeakPolarHBondContact O-CA 3.45Å; I263-E267 VanDerWaalsContact O-CB 3.3Å; I263-E267 WeakPolarHBondContact O-CB 3.36Å; I263-E267 PolarHBondContact O-N 3.26Å; I263-G268 PolarHBondContact O-N 2.9Å; I263-L272 HydrophobicContact CB-CD2 4.43Å; I263-L272 HydrophobicContact CD1-CD2 4.02Å; I263-L272 HydrophobicContact CG2-CD2 3.87Å; I263-L272 HydrophobicContact CG2-CG 3.94Å
264	L	98.1	Very high	97.3	Very high	84 Å²	84	65 Å²	65	44%	0.44	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-41.6	-178.1	-70.1	177	0	0	0	112.2	A260 T261 G268 P269 L272	A260-L264 WeakPolarHBondContact O-CB 3.39Å; A260-L264 VanDerWaalsContact O-CG 3.26Å; A260-L264 WeakPolarHBondContact O-CG 3.47Å; A260-L264 PolarHBondContact O-N 2.86Å; T261-L264 PolarHBondContact O-N 2.89Å; L264-G268 WeakPolarHBondContact O-CA 3.44Å; L264-G268 PolarHBondContact O-N 3.22Å; L264-P269 HydrophobicContact CD2-CB 3.96Å; L264-L272 HydrophobicContact CD2-CD1 3.68Å; L264-L272 HydrophobicContact CG-CD1 4.31Å
265	K	97.6	Very high	97.3	Very high	162 Å²	162	56.7 Å²	56.7	70%	0.704	31%	0.31	S	S	*	.	H	α-helix	trans	-72.3	-43	-177.9	-174.7	179.7	176.6	-175.5	0	112.8	T261 I263	T261-K265 WeakPolarHBondContact O-CB 3.46Å; T261-K265 PolarHBondContact O-N 3.07Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 3.42Å
266	N	96.7	Very high	97.3	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-101.3	-24.6	-170.2	-55.5	-47.9	0	0	0	113.8	E262	E262-N266 VanDerWaalsContact O-CB 3.3Å; E262-N266 WeakPolarHBondContact O-CB 3.22Å; E262-N266 PolarHBondContact O-N 3.12Å; E262-N266 PolarHBondContact O-ND2 3.44Å; E262-N266 PolarHBondContact OE2-ND2 2.99Å
267	E	95.7	Very high	97	Very high	44 Å²	44	55.7 Å²	55.7	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-15.1	-173.5	-50.9	178	-163	0	0	112.8	K49 R242 I263 S271	K49-E267 IonicContact NZ-OE1 3.25Å; K49-E267 PolarHBondContact NZ-OE1 3.4Å; K49-E267 VanDerWaalsContact NZ-OE1 3.08Å; R242-E267 IonicContact CZ-OE2 3.82Å; R242-E267 IonicContact NH1-OE1 3.11Å; R242-E267 IonicContact NH1-OE2 3.42Å; R242-E267 PolarHBondContact NH1-OE2 3.19Å; R242-E267 IonicContact NH2-OE2 3.52Å; I263-E267 HydrophobicContact CG2-CB 4.36Å; I263-E267 CarbonylContact O-C 3.57Å; I263-E267 WeakPolarHBondContact O-CA 3.45Å; I263-E267 VanDerWaalsContact O-CB 3.3Å; I263-E267 WeakPolarHBondContact O-CB 3.36Å; I263-E267 PolarHBondContact O-N 3.26Å; E267-S271 PolarHBondContact OE2-OG 3.27Å
268	G	96.7	Very high	96.9	Very high	22 Å²	22	50.6 Å²	50.6	23%	0.227	28%	0.281	C	S	.	.			trans	81	164.1	-177.7	0	0	0	0	0	114.4	I263 L264 M270 S271	I263-G268 PolarHBondContact O-N 2.9Å; L264-G268 WeakPolarHBondContact O-CA 3.44Å; L264-G268 PolarHBondContact O-N 3.22Å; G268-M270 VanDerWaalsContact C-N 3.29Å; G268-M270 PolarHBondContact O-N 3.42Å; G268-S271 WeakPolarHBondContact O-CB 3.02Å; G268-S271 PolarHBondContact O-N 2.98Å; G268-S271 VanDerWaalsContact O-N 3.1Å
269	P	96.6	Very high	96.7	Very high	99 Å²	99	49 Å²	49	64%	0.643	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.2	-32.9	-173.5	24	-34	0	0	0	113.7	L264 S271 L272	L264-P269 HydrophobicContact CD2-CB 3.96Å; P269-S271 PolarHBondContact O-N 2.93Å; P269-L272 WeakPolarHBondContact O-CB 3.34Å; P269-L272 PolarHBondContact O-N 3.36Å
270	M	95.8	Very high	96.5	Very high	144 Å²	144	51.5 Å²	51.5	71%	0.709	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21	179.6	-165.1	56.6	65.7	0	0	112.7	G268 L272 M273 K274	G268-M270 VanDerWaalsContact C-N 3.29Å; G268-M270 PolarHBondContact O-N 3.42Å; M270-L272 PolarHBondContact O-N 3.14Å; M270-M273 PolarHBondContact O-N 2.73Å; M270-M273 HydrophobicContact SD-CB 4.03Å; M270-K274 PolarHBondContact O-N 3.46Å
271	S	96.8	Very high	96.1	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32.1	175.8	-160.3	0	0	0	0	111.8	E267 G268 P269 M273 K274	E267-S271 PolarHBondContact OE2-OG 3.27Å; G268-S271 WeakPolarHBondContact O-CB 3.02Å; G268-S271 PolarHBondContact O-N 2.98Å; G268-S271 VanDerWaalsContact O-N 3.1Å; P269-S271 PolarHBondContact O-N 2.93Å; S271-M273 PolarHBondContact O-N 2.99Å; S271-K274 WeakPolarHBondContact O-CB 3.4Å; S271-K274 PolarHBondContact O-N 3.14Å; S271-K274 PolarHBondContact OG-NZ 3.33Å
272	L	97.9	Very high	95.8	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.089	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-66.4	-20.8	176.8	-67	169.3	0	0	0	113.4	Y234 P235 T238 I239 I263 L264 P269 M270	Y234-L272 VanDerWaalsContact CD1-O 3.27Å; Y234-L272 WeakPolarHBondContact CD1-O 3.38Å; P235-L272 HydrophobicContact CB-CB 3.98Å; P235-L272 HydrophobicContact CB-CD1 4.24Å; P235-L272 HydrophobicContact CB-CG 4.49Å; P235-L272 HydrophobicContact CG-CB 4.38Å; T238-L272 VanDerWaalsContact CB-O 3.31Å; T238-L272 WeakPolarHBondContact CB-O 3.24Å; T238-L272 HydrophobicContact CG2-CD2 4.3Å; T238-L272 PolarHBondContact OG1-O 3.22Å; I239-L272 HydrophobicContact CD1-CD2 4.22Å; I239-L272 HydrophobicContact CG1-CD2 3.79Å; I263-L272 HydrophobicContact CB-CD2 4.43Å; I263-L272 HydrophobicContact CD1-CD2 4.02Å; I263-L272 HydrophobicContact CG2-CD2 3.87Å; I263-L272 HydrophobicContact CG2-CG 3.94Å; L264-L272 HydrophobicContact CD2-CD1 3.68Å; L264-L272 HydrophobicContact CG-CD1 4.31Å; P269-L272 WeakPolarHBondContact O-CB 3.34Å; P269-L272 PolarHBondContact O-N 3.36Å; M270-L272 PolarHBondContact O-N 3.14Å
273	M	97.6	Very high	95.2	Very high	57 Å²	57	53.4 Å²	53.4	28%	0.281	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-101.9	1.7	-178.9	-61.6	-55.2	-67.9	0	0	113.6	L231 Y234 P235 M270 S271 G275 A276	L231-M273 HydrophobicContact CD2-CE 4.05Å; Y234-M273 HydrophobicContact CD1-CE 4.29Å; Y234-M273 HydrophobicContact CD1-SD 4.03Å; Y234-M273 HydrophobicContact CG-CE 4.37Å; Y234-M273 HydrophobicContact CG-SD 4.45Å; P235-M273 HydrophobicContact CG-SD 3.77Å; M270-M273 PolarHBondContact O-N 2.73Å; M270-M273 HydrophobicContact SD-CB 4.03Å; S271-M273 PolarHBondContact O-N 2.99Å; M273-G275 PolarHBondContact O-N 2.87Å; M273-A276 HydrophobicContact CE-CB 4.06Å; M273-A276 WeakPolarHBondContact O-CB 3.14Å; M273-A276 PolarHBondContact O-N 3.37Å
274	K	96.7	Very high	94.7	Very high	50 Å²	50	57.1 Å²	57.1	22%	0.217	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	126.7	177.4	-78.6	171.7	174.8	163.7	0	111.1	V41 Q42 Q44 D45 Y234 M270 S271	V41-K274 HydrophobicContact CG1-CB 4.18Å; Q42-K274 WeakPolarHBondContact CA-O 3.46Å; Q42-K274 WeakPolarHBondContact CB-O 3.35Å; Q44-K274 HydrophobicContact CG-CD 4.35Å; D45-K274 IonicContact OD1-NZ 2.86Å; D45-K274 PolarHBondContact OD1-NZ 3.36Å; D45-K274 IonicContact OD2-NZ 3.8Å; D45-K274 PolarHBondContact OD2-NZ 2.86Å; Y234-K274 VanDerWaalsContact CE1-O 3.3Å; Y234-K274 WeakPolarHBondContact CE1-O 3.34Å; Y234-K274 PolarHBondContact OH-O 2.79Å; M270-K274 PolarHBondContact O-N 3.46Å; S271-K274 WeakPolarHBondContact O-CB 3.4Å; S271-K274 PolarHBondContact O-N 3.14Å; S271-K274 PolarHBondContact OG-NZ 3.33Å
275	G	95.5	Very high	94.1	Very high	7 Å²	7	54.7 Å²	54.7	7%	0.072	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-1.4	-178.9	0	0	0	0	0	115.1	Y234 M273 G277 A278 N279	Y234-G275 PolarHBondContact OH-O 2.98Å; M273-G275 PolarHBondContact O-N 2.87Å; G275-G277 VanDerWaalsContact C-N 3.29Å; G275-G277 PolarHBondContact O-N 3.03Å; G275-A278 WeakPolarHBondContact O-CB 3.34Å; G275-A278 PolarHBondContact O-N 2.93Å; G275-N279 PolarHBondContact O-N 3.33Å
276	A	95.9	Very high	93.4	Very high	10 Å²	10	47.7 Å²	47.7	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-41.4	-180	0	0	0	0	0	112.7	L231 Y234 M273 A278 N279 I280	L231-A276 HydrophobicContact CD2-CB 3.85Å; Y234-A276 HydrophobicContact CD1-CB 4.09Å; Y234-A276 HydrophobicContact CD2-CB 4.38Å; Y234-A276 HydrophobicContact CE1-CB 4Å; Y234-A276 HydrophobicContact CE2-CB 4.3Å; Y234-A276 HydrophobicContact CG-CB 4.27Å; Y234-A276 PolarHBondContact OH-N 2.94Å; M273-A276 HydrophobicContact CE-CB 4.06Å; M273-A276 WeakPolarHBondContact O-CB 3.14Å; M273-A276 PolarHBondContact O-N 3.37Å; A276-A278 PolarHBondContact O-N 2.84Å; A276-N279 VanDerWaalsContact O-CB 3.31Å; A276-N279 WeakPolarHBondContact O-CB 3.23Å; A276-N279 PolarHBondContact O-N 2.91Å; A276-N279 VanDerWaalsContact O-N 3.12Å; A276-I280 WeakPolarHBondContact O-CG1 3.3Å; A276-I280 PolarHBondContact O-N 3.34Å; A276-I280 VanDerWaalsContact O-N 3.07Å
277	G	93.2	Very high	92.8	Very high	45 Å²	45	44.1 Å²	44.1	46%	0.464	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-44.2	174.5	0	0	0	0	0	113.2	G275 N279 I280 L281	G275-G277 VanDerWaalsContact C-N 3.29Å; G275-G277 PolarHBondContact O-N 3.03Å; G277-N279 VanDerWaalsContact C-N 3.27Å; G277-N279 PolarHBondContact O-N 2.82Å; G277-I280 PolarHBondContact O-N 2.93Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 2.98Å
278	A	94.6	Very high	92.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-33	174.9	0	0	0	0	0	112	I34 K38 V60 G275 A276 L281 R282	I34-A278 HydrophobicContact CG2-CB 4.42Å; I34-A278 VanDerWaalsContact CG2-O 3.28Å; I34-A278 WeakPolarHBondContact CG2-O 3.42Å; K38-A278 HydrophobicContact CB-CB 3.78Å; K38-A278 HydrophobicContact CG-CB 4.41Å; V60-A278 HydrophobicContact CG1-CB 4.47Å; V60-A278 HydrophobicContact CG2-CB 4.09Å; G275-A278 WeakPolarHBondContact O-CB 3.34Å; G275-A278 PolarHBondContact O-N 2.93Å; A276-A278 PolarHBondContact O-N 2.84Å; A278-L281 PolarHBondContact O-N 3.29Å; A278-R282 WeakPolarHBondContact O-CB 3.28Å; A278-R282 PolarHBondContact O-N 3.46Å
279	N	93.8	Very high	91.5	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-37.3	174.2	-174.5	75.3	0	0	0	112.7	K38 Y234 G275 A276 G277 R282 G283	K38-N279 HydrophobicContact CD-CB 3.87Å; K38-N279 HydrophobicContact CG-CB 4.13Å; K38-N279 PolarHBondContact NZ-OD1 3.3Å; K38-N279 VanDerWaalsContact NZ-OD1 3.1Å; Y234-N279 HydrophobicContact CE2-CB 3.74Å; G275-N279 PolarHBondContact O-N 3.33Å; A276-N279 VanDerWaalsContact O-CB 3.31Å; A276-N279 WeakPolarHBondContact O-CB 3.23Å; A276-N279 PolarHBondContact O-N 2.91Å; A276-N279 VanDerWaalsContact O-N 3.12Å; G277-N279 VanDerWaalsContact C-N 3.27Å; G277-N279 PolarHBondContact O-N 2.82Å; N279-R282 PolarHBondContact OD1-NH2 2.81Å; N279-G283 PolarHBondContact O-N 3.21Å
280	I	93.9	Very high	90.8	Very high	51 Å²	51	44.4 Å²	44.4	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-51.1	173.6	-61.6	171.5	0	0	0	110	Y223 V227 L231 A276 G277 R282 G283 V284	Y223-I280 PolarHBondContact OH-O 3.05Å; V227-I280 HydrophobicContact CG1-CD1 3.91Å; V227-I280 HydrophobicContact CG1-CG1 3.98Å; V227-I280 HydrophobicContact CG2-CG2 4.21Å; L231-I280 HydrophobicContact CD1-CD1 4.25Å; L231-I280 HydrophobicContact CD2-CD1 4.21Å; A276-I280 WeakPolarHBondContact O-CG1 3.3Å; A276-I280 PolarHBondContact O-N 3.34Å; A276-I280 VanDerWaalsContact O-N 3.07Å; G277-I280 PolarHBondContact O-N 2.93Å; I280-R282 PolarHBondContact O-N 3.18Å; I280-G283 WeakPolarHBondContact O-CA 3.37Å; I280-G283 PolarHBondContact O-N 2.91Å; I280-V284 PolarHBondContact O-N 3.39Å; I280-V284 VanDerWaalsContact O-N 3.14Å
281	L	91.6	Very high	90.1	Very high	102 Å²	102	40.3 Å²	40.3	53%	0.534	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-39.9	179.4	-68	176.9	0	0	0	112.1	I34 G277 A278 G283 V284 A285	I34-L281 HydrophobicContact CG2-CB 4.14Å; G277-L281 WeakPolarHBondContact O-CG 3.49Å; G277-L281 PolarHBondContact O-N 2.98Å; A278-L281 PolarHBondContact O-N 3.29Å; L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 3.37Å; L281-V284 PolarHBondContact O-N 3.11Å; L281-A285 PolarHBondContact O-N 3.24Å
282	R	90.4	Very high	89.4	Confident	74 Å²	74	42.4 Å²	42.4	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-40.1	173.2	-177	-173.6	61.2	70.8	2.5	112.1	A31 I34 E35 A278 N279 I280 A285 G286	A31-R282 HydrophobicContact CB-CG 4.15Å; I34-R282 HydrophobicContact CB-CB 4.38Å; I34-R282 HydrophobicContact CG2-CB 3.88Å; E35-R282 IonicContact OE1-NE 2.69Å; E35-R282 WeakPolarHBondContact OE2-CD 3.23Å; E35-R282 IonicContact OE2-CZ 3.22Å; E35-R282 IonicContact OE2-NE 3.96Å; E35-R282 PolarHBondContact OE2-NE 3.2Å; A278-R282 WeakPolarHBondContact O-CB 3.28Å; A278-R282 PolarHBondContact O-N 3.46Å; N279-R282 PolarHBondContact OD1-NH2 2.81Å; I280-R282 PolarHBondContact O-N 3.18Å; R282-A285 PolarHBondContact O-N 3.47Å; R282-G286 PolarHBondContact O-N 3.5Å
283	G	86.5	Confident	88.6	Confident	23 Å²	23	42.8 Å²	42.8	24%	0.237	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-49.1	176.7	0	0	0	0	0	111.9	N279 I280 L281 G286 A287	N279-G283 PolarHBondContact O-N 3.21Å; I280-G283 WeakPolarHBondContact O-CA 3.37Å; I280-G283 PolarHBondContact O-N 2.91Å; L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 3.37Å; G283-G286 PolarHBondContact O-N 3.16Å; G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 3.39Å
284	V	86.6	Confident	87.8	Confident	77 Å²	77	42.9 Å²	42.9	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-50.2	176	-174.3	0	0	0	0	111.1	Y223 I280 L281 G286 A287 G288	Y223-V284 HydrophobicContact CE1-CG2 4.07Å; Y223-V284 HydrophobicContact CE2-CG2 4.4Å; Y223-V284 WeakPolarHBondContact OH-CG2 3.42Å; Y223-V284 PolarHBondContact OH-N 3.01Å; I280-V284 PolarHBondContact O-N 3.39Å; I280-V284 VanDerWaalsContact O-N 3.14Å; L281-V284 PolarHBondContact O-N 3.11Å; V284-G286 PolarHBondContact O-N 2.92Å; V284-A287 PolarHBondContact O-N 2.88Å; V284-G288 PolarHBondContact O-N 3.33Å
285	A	86.6	Confident	87.1	Confident	33 Å²	33	47.5 Å²	47.5	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-45.3	-179	0	0	0	0	0	112	I34 L281 R282 G288 V289	I34-A285 HydrophobicContact CD1-CB 3.95Å; L281-A285 PolarHBondContact O-N 3.24Å; R282-A285 PolarHBondContact O-N 3.47Å; A285-G288 PolarHBondContact O-N 2.9Å; A285-V289 WeakPolarHBondContact O-CG2 3.44Å; A285-V289 PolarHBondContact O-N 3.02Å; A285-V289 VanDerWaalsContact O-N 3.12Å
286	G	82.5	Confident	86.5	Confident	15 Å²	15	52.2 Å²	52.2	16%	0.155	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-42.7	177.4	0	0	0	0	0	112.8	R282 G283 V284 L290	R282-G286 PolarHBondContact O-N 3.5Å; G283-G286 PolarHBondContact O-N 3.16Å; V284-G286 PolarHBondContact O-N 2.92Å; G286-L290 WeakPolarHBondContact O-CG 3.42Å; G286-L290 PolarHBondContact O-N 3.05Å; G286-L290 VanDerWaalsContact O-N 3.09Å
287	A	83	Confident	85.8	Confident	29 Å²	29	52 Å²	52	24%	0.24	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-42.7	177.4	0	0	0	0	0	112	F219 G283 V284 L290 A291	F219-A287 HydrophobicContact CE2-CB 4.3Å; F219-A287 HydrophobicContact CZ-CB 4.22Å; G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 3.39Å; V284-A287 PolarHBondContact O-N 2.88Å; A287-L290 PolarHBondContact O-N 3.47Å; A287-A291 WeakPolarHBondContact O-CB 3.5Å; A287-A291 PolarHBondContact O-N 3.16Å
288	G	83	Confident	85.3	Confident	48 Å²	48	54.8 Å²	54.8	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-44.5	177.8	0	0	0	0	0	112.9	V284 A285 A291 G292	V284-G288 PolarHBondContact O-N 3.33Å; A285-G288 PolarHBondContact O-N 2.9Å; G288-A291 PolarHBondContact O-N 3.4Å; G288-G292 PolarHBondContact O-N 3.37Å; G288-G292 VanDerWaalsContact O-N 3.07Å
289	V	83.3	Confident	84.9	Confident	46 Å²	46	60.3 Å²	60.3	28%	0.279	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-39.9	178.9	178.4	0	0	0	0	111.6	I26 A27 A30 A285 G292 F293	I26-V289 HydrophobicContact CG2-CG1 4.28Å; A27-V289 HydrophobicContact CB-CB 4.23Å; A27-V289 HydrophobicContact CB-CG1 3.89Å; A30-V289 HydrophobicContact CB-CG1 4.46Å; A30-V289 HydrophobicContact CB-CG2 3.85Å; A285-V289 WeakPolarHBondContact O-CG2 3.44Å; A285-V289 PolarHBondContact O-N 3.02Å; A285-V289 VanDerWaalsContact O-N 3.12Å; V289-G292 PolarHBondContact O-N 3.36Å; V289-F293 PolarHBondContact O-N 3.44Å
290	L	81.7	Confident	84.4	Confident	77 Å²	77	62.6 Å²	62.6	40%	0.403	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175.9	-73.3	172.1	0	0	0	111.9	A27 G286 A287 G292 F293 D294	A27-L290 HydrophobicContact CB-CD2 3.86Å; A27-L290 HydrophobicContact CB-CG 3.97Å; G286-L290 WeakPolarHBondContact O-CG 3.42Å; G286-L290 PolarHBondContact O-N 3.05Å; G286-L290 VanDerWaalsContact O-N 3.09Å; A287-L290 PolarHBondContact O-N 3.47Å; L290-G292 VanDerWaalsContact C-N 3.3Å; L290-G292 PolarHBondContact O-N 3.41Å; L290-F293 PolarHBondContact O-N 3.39Å; L290-F293 VanDerWaalsContact O-N 3.11Å; L290-D294 PolarHBondContact O-N 3.4Å
291	A	81.5	Confident	83.9	Confident	57 Å²	57	60.3 Å²	60.3	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-38.8	176.7	0	0	0	0	0	112.3	A287 G288 K295	A287-A291 WeakPolarHBondContact O-CB 3.5Å; A287-A291 PolarHBondContact O-N 3.16Å; G288-A291 PolarHBondContact O-N 3.4Å; A291-K295 PolarHBondContact O-N 3.26Å
292	G	81.6	Confident	83.6	Confident	45 Å²	45	60.9 Å²	60.9	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-40	172.9	0	0	0	0	0	112.8	G288 V289 L290 K295 F296	G288-G292 PolarHBondContact O-N 3.37Å; G288-G292 VanDerWaalsContact O-N 3.07Å; V289-G292 PolarHBondContact O-N 3.36Å; L290-G292 VanDerWaalsContact C-N 3.3Å; L290-G292 PolarHBondContact O-N 3.41Å; G292-K295 PolarHBondContact O-N 3.4Å; G292-F296 PolarHBondContact O-N 2.85Å; G292-F296 VanDerWaalsContact O-N 3.16Å
293	F	81.3	Confident	83.4	Confident	26 Å²	26	65.9 Å²	65.9	11%	0.114	37%	0.374	C	S	.	.	H	α-helix	trans	-72.5	-32.9	179.4	-159	-82.8	0	0	0	112.9	L19 A22 A23 I26 V289 L290 K295 F296 K297	L19-F293 VanDerWaalsContact O-CE1 3.22Å; L19-F293 WeakPolarHBondContact O-CE1 3.4Å; A22-F293 HydrophobicContact CB-CZ 4.33Å; A23-F293 HydrophobicContact CB-CB 4.21Å; A23-F293 HydrophobicContact CB-CD1 3.12Å; A23-F293 HydrophobicContact CB-CD2 4.12Å; A23-F293 HydrophobicContact CB-CE1 3.35Å; A23-F293 HydrophobicContact CB-CE2 4.29Å; A23-F293 HydrophobicContact CB-CG 3.54Å; A23-F293 HydrophobicContact CB-CZ 3.93Å; I26-F293 HydrophobicContact CD1-CD2 4.44Å; I26-F293 HydrophobicContact CD1-CE2 3.89Å; V289-F293 PolarHBondContact O-N 3.44Å; L290-F293 PolarHBondContact O-N 3.39Å; L290-F293 VanDerWaalsContact O-N 3.11Å; F293-K295 VanDerWaalsContact C-N 3.27Å; F293-K295 PolarHBondContact O-N 3.27Å; F293-F296 HydrophobicContact CD2-CD1 4.4Å; F293-F296 HydrophobicContact CE1-CD1 4.16Å; F293-F296 AromaticContact CE2-CD1 3.97Å; F293-F296 HydrophobicContact CE2-CD1 3.97Å; F293-F296 HydrophobicContact CE2-CE1 4.41Å; F293-F296 AromaticContact CZ-CD1 3.86Å; F293-F296 HydrophobicContact CZ-CD1 3.86Å; F293-F296 HydrophobicContact CZ-CE1 4.18Å; F293-F296 WeakPolarHBondContact O-CA 3.33Å; F293-F296 WeakPolarHBondContact O-CB 3.02Å; F293-F296 PolarHBondContact O-N 2.99Å; F293-F296 VanDerWaalsContact O-N 3.08Å; F293-K297 HydrophobicContact CD1-CD 3.89Å; F293-K297 HydrophobicContact CD1-CG 3.59Å; F293-K297 HydrophobicContact CE1-CD 3.96Å; F293-K297 VanDerWaalsContact CE1-CE 3.48Å; F293-K297 HydrophobicContact CE1-CG 3.46Å; F293-K297 VanDerWaalsContact CE1-CG 3.46Å; F293-K297 WeakPolarHBondContact O-CG 3.03Å; F293-K297 PolarHBondContact O-N 2.9Å
294	D	79.7	Confident	83.1	Confident	59 Å²	59	72 Å²	72	32%	0.316	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-41.6	173.8	-75.9	-20.2	0	0	0	110.7	L290 F296 K297 E298	L290-D294 PolarHBondContact O-N 3.4Å; D294-F296 PolarHBondContact O-N 2.91Å; D294-K297 PolarHBondContact O-N 3.48Å; D294-E298 WeakPolarHBondContact O-CG 3.19Å; D294-E298 PolarHBondContact O-N 3.27Å
295	K	82.1	Confident	83	Confident	147 Å²	147	70.9 Å²	70.9	64%	0.639	38%	0.381	S	S	*	.	H	α-helix	trans	-61.8	-40.8	170.9	-67.9	-170	175.1	-170.6	0	112.8	A291 G292 F293 K297 E298 L299	A291-K295 PolarHBondContact O-N 3.26Å; G292-K295 PolarHBondContact O-N 3.4Å; F293-K295 VanDerWaalsContact C-N 3.27Å; F293-K295 PolarHBondContact O-N 3.27Å; K295-K297 VanDerWaalsContact C-N 3.34Å; K295-K297 PolarHBondContact O-N 3.48Å; K295-E298 PolarHBondContact O-N 3.22Å; K295-L299 WeakPolarHBondContact O-CG 3.42Å; K295-L299 PolarHBondContact O-N 3.15Å
296	F	84.1	Confident	82.4	Confident	106 Å²	106	75 Å²	75	47%	0.465	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-41.6	176.2	173.4	-96.3	0	0	0	112.1	G292 F293 D294 L299 Y300	G292-F296 PolarHBondContact O-N 2.85Å; G292-F296 VanDerWaalsContact O-N 3.16Å; F293-F296 HydrophobicContact CD2-CD1 4.4Å; F293-F296 HydrophobicContact CE1-CD1 4.16Å; F293-F296 AromaticContact CE2-CD1 3.97Å; F293-F296 HydrophobicContact CE2-CD1 3.97Å; F293-F296 HydrophobicContact CE2-CE1 4.41Å; F293-F296 AromaticContact CZ-CD1 3.86Å; F293-F296 HydrophobicContact CZ-CD1 3.86Å; F293-F296 HydrophobicContact CZ-CE1 4.18Å; F293-F296 WeakPolarHBondContact O-CA 3.33Å; F293-F296 WeakPolarHBondContact O-CB 3.02Å; F293-F296 PolarHBondContact O-N 2.99Å; F293-F296 VanDerWaalsContact O-N 3.08Å; D294-F296 PolarHBondContact O-N 2.91Å; F296-L299 PolarHBondContact O-N 3.45Å; F296-Y300 WeakPolarHBondContact O-CB 3.12Å; F296-Y300 PolarHBondContact O-N 3.5Å
297	K	81.4	Confident	81.8	Confident	4 Å²	4	83.5 Å²	83.5	2%	0.017	44%	0.437	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.9	-68.9	174.6	170.1	-179.1	0	111.9	I8 L19 S20 F293 D294 K295 Y300 A301	I8-K297 VanDerWaalsContact CD1-C 3.41Å; I8-K297 HydrophobicContact CD1-CB 3.51Å; I8-K297 WeakPolarHBondContact CD1-O 3.42Å; L19-K297 HydrophobicContact CB-CG 4.41Å; S20-K297 PolarHBondContact OG-NZ 3.38Å; F293-K297 HydrophobicContact CD1-CD 3.89Å; F293-K297 HydrophobicContact CD1-CG 3.59Å; F293-K297 HydrophobicContact CE1-CD 3.96Å; F293-K297 VanDerWaalsContact CE1-CE 3.48Å; F293-K297 HydrophobicContact CE1-CG 3.46Å; F293-K297 VanDerWaalsContact CE1-CG 3.46Å; F293-K297 WeakPolarHBondContact O-CG 3.03Å; F293-K297 PolarHBondContact O-N 2.9Å; D294-K297 PolarHBondContact O-N 3.48Å; K295-K297 VanDerWaalsContact C-N 3.34Å; K295-K297 PolarHBondContact O-N 3.48Å; K297-Y300 PolarHBondContact O-N 2.9Å; K297-A301 WeakPolarHBondContact O-CB 3.4Å; K297-A301 PolarHBondContact O-N 3.31Å
298	E	82.5	Confident	80.7	Confident	105 Å²	105	91.5 Å²	91.5	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-58.3	-49.4	174.4	-72.5	170.8	179.5	0	0	110.4	D294 K295 Y300 A301 D302	D294-E298 WeakPolarHBondContact O-CG 3.19Å; D294-E298 PolarHBondContact O-N 3.27Å; K295-E298 PolarHBondContact O-N 3.22Å; E298-Y300 PolarHBondContact O-N 2.9Å; E298-A301 WeakPolarHBondContact O-CB 3.45Å; E298-A301 PolarHBondContact O-N 3.3Å; E298-A301 VanDerWaalsContact O-N 3.16Å; E298-D302 PolarHBondContact O-N 3.11Å
299	L	84.8	Confident	79.4	Confident	116 Å²	116	95.2 Å²	95.2	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-60.9	-41.1	175.8	-68.8	172.3	0	0	0	113.1	K295 F296 A301 D302 F303	K295-L299 WeakPolarHBondContact O-CG 3.42Å; K295-L299 PolarHBondContact O-N 3.15Å; F296-L299 PolarHBondContact O-N 3.45Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.48Å; L299-D302 PolarHBondContact O-N 3.12Å; L299-F303 WeakPolarHBondContact O-CB 3.38Å; L299-F303 PolarHBondContact O-N 2.79Å
300	Y	84.7	Confident	78	Confident	75 Å²	75	102 Å²	102	29%	0.294	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-42.4	175.7	173.8	-95.3	0	0	0	111.3	L11 L19 F296 K297 E298 F303 R304	L11-Y300 HydrophobicContact CD1-CD1 4.16Å; L11-Y300 HydrophobicContact CD1-CE1 4.17Å; L11-Y300 HydrophobicContact CD2-CE1 4.06Å; L19-Y300 HydrophobicContact CD1-CD1 3.68Å; L19-Y300 HydrophobicContact CD1-CE1 3.83Å; L19-Y300 HydrophobicContact CD2-CD1 4.41Å; F296-Y300 WeakPolarHBondContact O-CB 3.12Å; F296-Y300 PolarHBondContact O-N 3.5Å; K297-Y300 PolarHBondContact O-N 2.9Å; E298-Y300 PolarHBondContact O-N 2.9Å; Y300-F303 PolarHBondContact O-N 3.41Å; Y300-R304 HydrophobicContact CE1-CB 4.31Å; Y300-R304 HydrophobicContact CE1-CG 4.45Å; Y300-R304 WeakPolarHBondContact O-CB 3.28Å; Y300-R304 PolarHBondContact O-N 2.98Å
301	A	83.8	Confident	77.8	Confident	3 Å²	3	103.3 Å²	103.3	3%	0.025	54%	0.538	C	S	.	.	H	α-helix	trans	-66.7	-41.6	177.3	0	0	0	0	0	112	I8 L11 K297 E298 L299 F303 R304 L305	I8-A301 HydrophobicContact CD1-CB 3.99Å; I8-A301 HydrophobicContact CG2-CB 3.55Å; L11-A301 HydrophobicContact CD1-CB 4.48Å; K297-A301 WeakPolarHBondContact O-CB 3.4Å; K297-A301 PolarHBondContact O-N 3.31Å; E298-A301 WeakPolarHBondContact O-CB 3.45Å; E298-A301 PolarHBondContact O-N 3.3Å; E298-A301 VanDerWaalsContact O-N 3.16Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.48Å; A301-F303 VanDerWaalsContact C-N 3.26Å; A301-F303 PolarHBondContact O-N 3.25Å; A301-R304 PolarHBondContact O-N 3.12Å; A301-L305 HydrophobicContact CB-CD1 4.2Å; A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.29Å; A301-L305 VanDerWaalsContact O-CG 3.28Å; A301-L305 WeakPolarHBondContact O-CG 3.36Å; A301-L305 PolarHBondContact O-N 3.29Å
302	D	85.1	Confident	77.6	Confident	114 Å²	114	105.7 Å²	105.7	61%	0.61	54%	0.542	S	S	*	.	H	α-helix	trans	-62.8	-33.4	176.1	-71.4	-16.9	0	0	0	112.5	E298 L299	E298-D302 PolarHBondContact O-N 3.11Å; L299-D302 PolarHBondContact O-N 3.12Å
303	F	84.6	Confident	77.4	Confident	179 Å²	179	109.1 Å²	109.1	79%	0.785	55%	0.546	S	S	*	.	H	α-helix	trans	-75.2	-39.1	174.1	178	-99	0	0	0	112.5	L299 Y300 A301	L299-F303 WeakPolarHBondContact O-CB 3.38Å; L299-F303 PolarHBondContact O-N 2.79Å; Y300-F303 PolarHBondContact O-N 3.41Å; A301-F303 VanDerWaalsContact C-N 3.26Å; A301-F303 PolarHBondContact O-N 3.25Å
304	R	82.1	Confident	77.1	Confident	150 Å²	150	114 Å²	114	57%	0.566	57%	0.572	S	S	*	*	H	α-helix	trans	-83.3	-37.7	-172.4	-177.1	61.8	-176.5	128	-3.5	113.3	L11 Y300 A301	L11-R304 HydrophobicContact CD2-CG 4.21Å; Y300-R304 HydrophobicContact CE1-CB 4.31Å; Y300-R304 HydrophobicContact CE1-CG 4.45Å; Y300-R304 WeakPolarHBondContact O-CB 3.28Å; Y300-R304 PolarHBondContact O-N 2.98Å; A301-R304 PolarHBondContact O-N 3.12Å
305	L	83.8	Confident	77	Confident	55 Å²	55	117.4 Å²	117.4	29%	0.288	59%	0.588	S	S	.	*	S	Bend	trans	-83.5	137.3	-178.5	-61	174.3	0	0	0	109.3	K9 G10 L11 A301 K307	K9-L305 WeakPolarHBondContact O-CD1 3.4Å; G10-L305 WeakPolarHBondContact O-CD2 3.27Å; L11-L305 HydrophobicContact CD2-CD2 4.47Å; A301-L305 HydrophobicContact CB-CD1 4.2Å; A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.29Å; A301-L305 VanDerWaalsContact O-CG 3.28Å; A301-L305 WeakPolarHBondContact O-CG 3.36Å; A301-L305 PolarHBondContact O-N 3.29Å; L305-K307 PolarHBondContact O-N 3.08Å
306	P	73.5	Confident	76.6	Confident	119 Å²	119	115.5 Å²	115.5	77%	0.773	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59	131	173.5	24.2	-31.8	0	0	0	109.3	K308	P306-K308 PolarHBondContact O-N 3.21Å
307	K	70.6	Confident	76.1	Confident	194 Å²	194	116.1 Å²	116.1	84%	0.843	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.6	126.4	170.8	-68.9	-175.5	178.1	-178.9	0	107.6	L305	L305-K307 PolarHBondContact O-N 3.08Å
308	K	60.4	Low	75.7	Confident	196 Å²	196	124.8 Å²	124.8	85%	0.852	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.4	130.2	167.8	-88.6	-174.7	173.2	-175.9	0	107.4	P306 S310	P306-K308 PolarHBondContact O-N 3.21Å; K308-S310 PolarHBondContact O-N 3.2Å
309	P	55	Low	75.1	Confident	126 Å²	126	126.4 Å²	126.4	82%	0.818	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-56.9	131.4	167.1	24	-30.5	0	0	0	107.8
310	S	53.2	Low	74.2	Confident	190 Å²	190	127.4 Å²	127.4	100%	1.329	65%	0.653	S	S	*	*			trans	-56.7	0	176.3	50.8	0	0	0	0	112.1	K308	K308-S310 PolarHBondContact O-N 3.2Å

Retrieved 310 of 310 residues in 125.1 ms (Link to these results)

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