A0A023ILP9_RAT Loading...

Antigen peptide transporter 1

ABC transporter associated with antigen processing. In complex with TAP2 mediates unidirectional translocation of peptide antigens from cytosol to endoplasmic reticulum (ER) for loading onto MHC class I (MHCI) molecules. Uses the chemical energy of ATP to export peptides against the concentration gradient. During the transport cycle alternates between 'inward-facing' state with peptide binding site facing the cytosol to 'outward-facing' state with peptide binding site facing the ER lumen. Peptide antigen binding to ATP-loaded TAP1-TAP2 induces a switch to hydrolysis-competent 'outward-facing' conformation ready for peptide loading onto nascent MHCI molecules. Subsequently ATP hydrolysis resets the transporter to the 'inward facing' state for a new cycle. As a component of the peptide loading complex (PLC), acts as a molecular scaffold essential for peptide-MHCI assembly and antigen presentation.

AlphaFold DB , UniProt , Accession A0A023ILP9, Species RAT (Rattus norvegicus, Rat), Gene Tap2, Length 664 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	37.6	Very low	35.4	Very low	153 Å²	153	82.3 Å²	82.3	93%	0.927	50%	0.5	S	S	*	.				0	-43.2	0	-172.6	0	0	0	0	112.3	A3 G4	V1-A3 VanDerWaalsContact C-N 3.32Å; V1-A3 PolarHBondContact O-N 2.93Å; V1-G4 PolarHBondContact O-N 3.12Å
2	T	25.9	Very low	35.8	Very low	128 Å²	128	77.9 Å²	77.9	79%	0.785	47%	0.472	S	S	*	.	H	α-helix	trans	-66.9	-21.5	175.9	49	0	0	0	0	115.6
3	A	29.9	Very low	36	Very low	83 Å²	83	82.1 Å²	82.1	69%	0.686	48%	0.483	S	S	*	.	H	α-helix	trans	-76.3	-27.7	175.6	0	0	0	0	0	113.8	V1	V1-A3 VanDerWaalsContact C-N 3.32Å; V1-A3 PolarHBondContact O-N 2.93Å
4	G	34.6	Very low	36.4	Very low	29 Å²	29	80.6 Å²	80.6	30%	0.299	48%	0.477	S	S	.	.	H	α-helix	trans	-74.8	-37.5	-179.4	0	0	0	0	0	113.2	V1 R6 G7 W8	V1-G4 PolarHBondContact O-N 3.12Å; G4-R6 PolarHBondContact O-N 2.98Å; G4-G7 PolarHBondContact O-N 2.97Å; G4-G7 VanDerWaalsContact O-N 3.07Å; G4-W8 PolarHBondContact O-N 3.35Å
5	A	34.2	Very low	36.5	Very low	49 Å²	49	77.1 Å²	77.1	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-35.3	178.9	0	0	0	0	0	113.1	G7 W8	A5-G7 VanDerWaalsContact C-N 3.29Å; A5-G7 PolarHBondContact O-N 3.23Å; A5-W8 PolarHBondContact O-N 3.35Å
6	R	35.3	Very low	36.7	Very low	209 Å²	209	77.8 Å²	77.8	79%	0.789	46%	0.46	S	S	*	.	H	α-helix	trans	-67.1	-30.2	171.4	-79.8	-176	-178.7	176.1	1.1	112.4	G4 A10	G4-R6 PolarHBondContact O-N 2.98Å; R6-A10 VanDerWaalsContact O-CB 3.31Å; R6-A10 WeakPolarHBondContact O-CB 3.49Å; R6-A10 PolarHBondContact O-N 3.22Å
7	G	38.3	Very low	36.8	Very low	29 Å²	29	76.4 Å²	76.4	30%	0.299	46%	0.459	S	S	.	.	H	α-helix	trans	-67.2	-31.9	178.4	0	0	0	0	0	114	G4 A5 A10 A11	G4-G7 PolarHBondContact O-N 2.97Å; G4-G7 VanDerWaalsContact O-N 3.07Å; A5-G7 VanDerWaalsContact C-N 3.29Å; A5-G7 PolarHBondContact O-N 3.23Å; G7-A10 CarbonylContact O-C 3.48Å; G7-A10 PolarHBondContact O-N 3.22Å; G7-A11 WeakPolarHBondContact O-CB 3.15Å; G7-A11 PolarHBondContact O-N 3.18Å
8	W	37.9	Very low	37	Very low	47 Å²	47	74.6 Å²	74.6	18%	0.178	45%	0.454	C	S	.	.	H	α-helix	trans	-78.8	-39.1	179.4	-114.3	85.7	0	0	0	113	G4 A5 A10 A11 L12 W77 L93	G4-W8 PolarHBondContact O-N 3.35Å; A5-W8 PolarHBondContact O-N 3.35Å; W8-A10 VanDerWaalsContact C-N 3.26Å; W8-A10 PolarHBondContact O-N 3.37Å; W8-A11 CarbonylContact O-C 3.54Å; W8-A11 WeakPolarHBondContact O-CA 3.27Å; W8-A11 WeakPolarHBondContact O-CB 3.49Å; W8-A11 PolarHBondContact O-N 2.98Å; W8-L12 PolarHBondContact O-N 3.49Å; W8-W77 AromaticContact CD2-CH2 3.96Å; W8-W77 HydrophobicContact CD2-CH2 3.96Å; W8-W77 HydrophobicContact CD2-CZ3 4.45Å; W8-W77 AromaticContact CE3-CH2 3.46Å; W8-W77 HydrophobicContact CE3-CH2 3.46Å; W8-W77 VanDerWaalsContact CE3-CH2 3.46Å; W8-W77 AromaticContact CE3-CZ2 3.88Å; W8-W77 HydrophobicContact CE3-CZ2 3.88Å; W8-W77 HydrophobicContact CE3-CZ3 4.25Å; W8-W77 HydrophobicContact CH2-CH2 4.4Å; W8-W77 AromaticContact CZ3-CH2 3.71Å; W8-W77 HydrophobicContact CZ3-CH2 3.71Å; W8-W77 AromaticContact CZ3-CZ2 3.86Å; W8-W77 HydrophobicContact CZ3-CZ2 3.86Å; W8-L93 HydrophobicContact CD2-CD1 4.47Å; W8-L93 HydrophobicContact CH2-CD1 4.25Å; W8-L93 HydrophobicContact CZ2-CD1 3.85Å; W8-L93 HydrophobicContact CZ2-CD2 3.93Å; W8-L93 HydrophobicContact CZ2-CG 4.41Å
9	L	36.9	Very low	37.1	Very low	111 Å²	111	75.1 Å²	75.1	58%	0.581	45%	0.453	S	S	*	.	H	α-helix	trans	-62	-36.4	167.8	-93.5	144.7	0	0	0	111.4	A11 L12 Q13	L9-A11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-Q13 PolarHBondContact O-N 2.99Å
10	A	39.7	Very low	37.2	Very low	44 Å²	44	73.6 Å²	73.6	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-70.9	-25.6	170.3	0	0	0	0	0	113.2	R6 G7 W8 L12 Q13 P14	R6-A10 VanDerWaalsContact O-CB 3.31Å; R6-A10 WeakPolarHBondContact O-CB 3.49Å; R6-A10 PolarHBondContact O-N 3.22Å; G7-A10 CarbonylContact O-C 3.48Å; G7-A10 PolarHBondContact O-N 3.22Å; W8-A10 VanDerWaalsContact C-N 3.26Å; W8-A10 PolarHBondContact O-N 3.37Å; A10-L12 VanDerWaalsContact C-N 3.33Å; A10-Q13 WeakPolarHBondContact O-CB 3.35Å; A10-Q13 PolarHBondContact O-N 3.27Å; A10-P14 WeakPolarHBondContact O-CD 3.35Å
11	A	39.4	Very low	37.3	Very low	23 Å²	23	75.8 Å²	75.8	19%	0.19	46%	0.462	C	S	.	.	H	α-helix	trans	-76.2	-20.9	173.3	0	0	0	0	0	113.1	G7 W8 L9 P14 H104	G7-A11 WeakPolarHBondContact O-CB 3.15Å; G7-A11 PolarHBondContact O-N 3.18Å; W8-A11 CarbonylContact O-C 3.54Å; W8-A11 WeakPolarHBondContact O-CA 3.27Å; W8-A11 WeakPolarHBondContact O-CB 3.49Å; W8-A11 PolarHBondContact O-N 2.98Å; L9-A11 VanDerWaalsContact C-N 3.34Å; A11-P14 VanDerWaalsContact O-CD 3.3Å; A11-P14 WeakPolarHBondContact O-CD 3.36Å; A11-P14 WeakPolarHBondContact O-CG 3.18Å; A11-H104 VanDerWaalsContact CB-CE1 3.45Å; A11-H104 WeakPolarHBondContact CB-CE1 3.25Å
12	L	39.3	Very low	37.3	Very low	30 Å²	30	70.8 Å²	70.8	16%	0.157	44%	0.437	C	S	.	.	H	α-helix	trans	-87.3	-20.6	170.7	-76.3	161.5	0	0	0	113.1	W8 L9 A10 L15 V16 W70	W8-L12 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 2.96Å; A10-L12 VanDerWaalsContact C-N 3.33Å; L12-L15 HydrophobicContact CD2-CD1 3.81Å; L12-L15 WeakPolarHBondContact O-CA 3.27Å; L12-L15 WeakPolarHBondContact O-CB 3.49Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-V16 PolarHBondContact O-N 2.81Å; L12-V16 VanDerWaalsContact O-N 3.17Å; L12-W70 HydrophobicContact CB-CH2 4.47Å; L12-W70 HydrophobicContact CD1-CH2 4.43Å
13	Q	38.5	Very low	38	Very low	132 Å²	132	71 Å²	71	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-54.1	-42.4	170.5	-86	-178.8	-57.4	0	0	114.3	L9 A10 L15 V16 A17	L9-Q13 PolarHBondContact O-N 2.99Å; A10-Q13 WeakPolarHBondContact O-CB 3.35Å; A10-Q13 PolarHBondContact O-N 3.27Å; Q13-L15 PolarHBondContact O-N 2.88Å; Q13-V16 PolarHBondContact O-N 3.15Å; Q13-A17 WeakPolarHBondContact O-CB 3.41Å; Q13-A17 PolarHBondContact O-N 3.19Å
14	P	41.7	Very low	38.4	Very low	61 Å²	61	70 Å²	70	40%	0.396	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-20.3	173.9	24.4	-33.7	0	0	0	112.8	A10 A11 A18	A10-P14 WeakPolarHBondContact O-CD 3.35Å; A11-P14 VanDerWaalsContact O-CD 3.3Å; A11-P14 WeakPolarHBondContact O-CD 3.36Å; A11-P14 WeakPolarHBondContact O-CG 3.18Å; P14-A18 WeakPolarHBondContact O-CA 3.3Å; P14-A18 WeakPolarHBondContact O-CB 3.39Å; P14-A18 PolarHBondContact O-N 3.42Å
15	L	38.1	Very low	38.5	Very low	28 Å²	28	70.5 Å²	70.5	15%	0.147	42%	0.424	C	S	.	.	H	α-helix	trans	-72.1	-42.6	173	-149.6	161.6	0	0	0	110.4	L12 Q13 L19 L107	L12-L15 HydrophobicContact CD2-CD1 3.81Å; L12-L15 WeakPolarHBondContact O-CA 3.27Å; L12-L15 WeakPolarHBondContact O-CB 3.49Å; L12-L15 PolarHBondContact O-N 2.93Å; Q13-L15 PolarHBondContact O-N 2.88Å; L15-L19 HydrophobicContact CD2-CD1 3.61Å; L15-L19 HydrophobicContact CD2-CG 4.34Å; L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CD1 3.22Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.85Å; L15-L107 HydrophobicContact CD1-CD1 3.75Å; L15-L107 HydrophobicContact CD1-CD2 3.96Å; L15-L107 HydrophobicContact CD1-CG 4.31Å; L15-L107 HydrophobicContact CG-CD2 4.07Å
16	V	40.3	Very low	38.9	Very low	88 Å²	88	72.2 Å²	72.2	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-39.7	172.6	179.8	0	0	0	0	111.3	L12 Q13 G20	L12-V16 PolarHBondContact O-N 2.81Å; L12-V16 VanDerWaalsContact O-N 3.17Å; Q13-V16 PolarHBondContact O-N 3.15Å; V16-G20 PolarHBondContact O-N 3.44Å
17	A	38.7	Very low	38.9	Very low	55 Å²	55	64.9 Å²	64.9	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-71.3	-37.7	176.5	0	0	0	0	0	112.5	Q13 G20 L21	Q13-A17 WeakPolarHBondContact O-CB 3.41Å; Q13-A17 PolarHBondContact O-N 3.19Å; A17-G20 CarbonylContact O-C 3.14Å; A17-G20 PolarHBondContact O-N 3.33Å; A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CG 3.45Å; A17-L21 PolarHBondContact O-N 3.41Å
18	A	39.7	Very low	38.8	Very low	44 Å²	44	66.8 Å²	66.8	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-68.2	-36.3	173.6	0	0	0	0	0	111.6	P14 G20 L21 A22	P14-A18 WeakPolarHBondContact O-CA 3.3Å; P14-A18 WeakPolarHBondContact O-CB 3.39Å; P14-A18 PolarHBondContact O-N 3.42Å; A18-G20 VanDerWaalsContact C-N 3.35Å; A18-L21 CarbonylContact O-C 3.6Å; A18-L21 PolarHBondContact O-N 2.86Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 2.82Å
19	L	39.1	Very low	38.8	Very low	84 Å²	84	71.9 Å²	71.9	44%	0.44	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-37.4	169.7	-80.7	162.1	0	0	0	112	L15 L21 L230	L15-L19 HydrophobicContact CD2-CD1 3.61Å; L15-L19 HydrophobicContact CD2-CG 4.34Å; L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CD1 3.22Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.85Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.84Å; L19-L230 HydrophobicContact CD1-CD1 4.45Å
20	G	38.2	Very low	38.9	Very low	45 Å²	45	76.2 Å²	76.2	46%	0.464	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-30.1	171.5	0	0	0	0	0	113.8	V16 A17 A18 P24	V16-G20 PolarHBondContact O-N 3.44Å; A17-G20 CarbonylContact O-C 3.14Å; A17-G20 PolarHBondContact O-N 3.33Å; A18-G20 VanDerWaalsContact C-N 3.35Å; G20-P24 WeakPolarHBondContact O-CD 3.32Å
21	L	39.2	Very low	38.8	Very low	120 Å²	120	82.2 Å²	82.2	63%	0.628	47%	0.469	S	S	*	.	H	α-helix	trans	-89.3	-19.4	177.3	-75.3	164.3	0	0	0	114	A17 A18 L19 L23 P24 G25	A17-L21 WeakPolarHBondContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CG 3.45Å; A17-L21 PolarHBondContact O-N 3.41Å; A18-L21 CarbonylContact O-C 3.6Å; A18-L21 PolarHBondContact O-N 2.86Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.84Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 2.96Å; L21-P24 VanDerWaalsContact C-CD 3.47Å; L21-P24 HydrophobicContact CD2-CG 4.45Å; L21-P24 WeakPolarHBondContact O-CD 3.23Å; L21-P24 VanDerWaalsContact O-CG 3.26Å; L21-P24 WeakPolarHBondContact O-CG 3.26Å; L21-G25 PolarHBondContact O-N 2.84Å; L21-G25 VanDerWaalsContact O-N 3.08Å
22	A	38.8	Very low	38.8	Very low	48 Å²	48	86.9 Å²	86.9	40%	0.397	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-31	174.3	0	0	0	0	0	112.1	A18 G25 L26	A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 2.82Å; A22-G25 PolarHBondContact O-N 3.02Å; A22-L26 WeakPolarHBondContact O-CB 3.09Å; A22-L26 PolarHBondContact O-N 3.34Å
23	L	39.9	Very low	38.7	Very low	131 Å²	131	88.8 Å²	88.8	69%	0.686	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-48.6	173.5	-92.3	137.2	0	0	0	113.5	L21 L26 A27	L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 2.96Å; L23-L26 PolarHBondContact O-N 2.97Å; L23-A27 PolarHBondContact O-N 3.38Å
24	P	38.2	Very low	38.8	Very low	64 Å²	64	84.6 Å²	84.6	42%	0.416	50%	0.498	S	S	.	.	H	α-helix	trans	-72.5	-25.9	171.3	19.1	-26.5	0	0	0	114.2	G20 L21 A27 S28	G20-P24 WeakPolarHBondContact O-CD 3.32Å; L21-P24 VanDerWaalsContact C-CD 3.47Å; L21-P24 HydrophobicContact CD2-CG 4.45Å; L21-P24 WeakPolarHBondContact O-CD 3.23Å; L21-P24 VanDerWaalsContact O-CG 3.26Å; L21-P24 WeakPolarHBondContact O-CG 3.26Å; P24-A27 WeakPolarHBondContact O-CB 3.13Å; P24-A27 PolarHBondContact O-N 2.63Å; P24-S28 PolarHBondContact O-N 2.81Å; P24-S28 PolarHBondContact O-OG 2.78Å
25	G	37	Very low	38.5	Very low	39 Å²	39	92 Å²	92	40%	0.402	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-42.3	168.8	0	0	0	0	0	112.9	L21 A22 A27 S28 F29	L21-G25 PolarHBondContact O-N 2.84Å; L21-G25 VanDerWaalsContact O-N 3.08Å; A22-G25 PolarHBondContact O-N 3.02Å; G25-A27 VanDerWaalsContact C-N 3.35Å; G25-A27 PolarHBondContact O-N 3.04Å; G25-S28 WeakPolarHBondContact O-CB 3.42Å; G25-S28 PolarHBondContact O-N 2.64Å; G25-F29 PolarHBondContact O-N 3.27Å
26	L	41.9	Very low	38.4	Very low	84 Å²	84	94.4 Å²	94.4	44%	0.44	55%	0.55	S	S	.	.	H	α-helix	trans	-63.7	-35.4	171.5	-90.7	152.6	0	0	0	112.8	A22 L23 S28 F29 R30	A22-L26 WeakPolarHBondContact O-CB 3.09Å; A22-L26 PolarHBondContact O-N 3.34Å; L23-L26 PolarHBondContact O-N 2.97Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.23Å; L26-F29 PolarHBondContact O-N 2.76Å; L26-R30 PolarHBondContact O-N 3.02Å
27	A	36.5	Very low	38.3	Very low	56 Å²	56	93.8 Å²	93.8	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-32.1	173.5	0	0	0	0	0	112.5	L23 P24 G25 R30 K31	L23-A27 PolarHBondContact O-N 3.38Å; P24-A27 WeakPolarHBondContact O-CB 3.13Å; P24-A27 PolarHBondContact O-N 2.63Å; G25-A27 VanDerWaalsContact C-N 3.35Å; G25-A27 PolarHBondContact O-N 3.04Å; A27-R30 PolarHBondContact O-N 3.29Å; A27-K31 PolarHBondContact O-N 3.31Å
28	S	36.5	Very low	38.2	Very low	69 Å²	69	98.2 Å²	98.2	48%	0.483	57%	0.57	S	S	.	*	H	α-helix	trans	-72.4	-37.7	174.9	-54	0	0	0	0	111.5	P24 G25 L26 K31 L32	P24-S28 PolarHBondContact O-N 2.81Å; P24-S28 PolarHBondContact O-OG 2.78Å; G25-S28 WeakPolarHBondContact O-CB 3.42Å; G25-S28 PolarHBondContact O-N 2.64Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.23Å; S28-K31 PolarHBondContact O-N 3.43Å; S28-L32 PolarHBondContact O-N 3.29Å
29	F	36.7	Very low	38.2	Very low	154 Å²	154	107.4 Å²	107.4	68%	0.675	60%	0.595	S	S	*	*	H	α-helix	trans	-66.7	-36.2	172.6	-132.4	-89.2	0	0	0	112.4	G25 L26 K31 L32 A33	G25-F29 PolarHBondContact O-N 3.27Å; L26-F29 PolarHBondContact O-N 2.76Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 2.96Å; F29-L32 PolarHBondContact O-N 3.44Å; F29-A33 WeakPolarHBondContact O-CB 3.21Å; F29-A33 PolarHBondContact O-N 3.17Å
30	R	40.3	Very low	38	Very low	201 Å²	201	112.4 Å²	112.4	76%	0.758	62%	0.616	S	S	*	*	H	α-helix	trans	-63.3	-35.9	172.6	-166.8	177.9	178	176.5	-0.1	112	L26 A27 A34	L26-R30 PolarHBondContact O-N 3.02Å; A27-R30 PolarHBondContact O-N 3.29Å; R30-A34 WeakPolarHBondContact O-CB 3.36Å; R30-A34 PolarHBondContact O-N 3.22Å
31	K	37.8	Very low	37.7	Very low	170 Å²	170	114 Å²	114	74%	0.739	63%	0.633	S	S	*	*	H	α-helix	trans	-70	-41.3	173.2	-95.4	-175.3	174.6	-178.2	0	112.7	A27 S28 F29 A34 W35	A27-K31 PolarHBondContact O-N 3.31Å; S28-K31 PolarHBondContact O-N 3.43Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 2.96Å; K31-A34 PolarHBondContact O-N 3.34Å; K31-W35 WeakPolarHBondContact O-CB 3.39Å; K31-W35 PolarHBondContact O-N 2.76Å
32	L	37.9	Very low	37.1	Very low	122 Å²	122	116.3 Å²	116.3	64%	0.639	65%	0.646	S	S	*	*	H	α-helix	trans	-67	-37.7	175.7	-94.6	150.7	0	0	0	112.7	S28 F29	S28-L32 PolarHBondContact O-N 3.29Å; F29-L32 PolarHBondContact O-N 3.44Å
33	A	38	Very low	37.1	Very low	70 Å²	70	121.5 Å²	121.5	58%	0.579	67%	0.667	S	S	*	*	H	α-helix	trans	-72.9	-32.3	174.2	0	0	0	0	0	113.1	F29	F29-A33 WeakPolarHBondContact O-CB 3.21Å; F29-A33 PolarHBondContact O-N 3.17Å
34	A	41.3	Very low	36.8	Very low	43 Å²	43	120.4 Å²	120.4	36%	0.355	68%	0.676	S	S	.	*	H	α-helix	trans	-78.9	-27	176.5	0	0	0	0	0	113.3	R30 K31 G36 A37	R30-A34 WeakPolarHBondContact O-CB 3.36Å; R30-A34 PolarHBondContact O-N 3.22Å; K31-A34 PolarHBondContact O-N 3.34Å; A34-G36 PolarHBondContact O-N 3.5Å; A34-A37 PolarHBondContact O-N 2.73Å
35	W	34.7	Very low	36.5	Very low	216 Å²	216	121.1 Å²	121.1	82%	0.818	70%	0.695	S	S	*	*	H	α-helix	trans	-67.7	-25.7	179.4	-159	12.7	0	0	0	112.7	K31 A37	K31-W35 WeakPolarHBondContact O-CB 3.39Å; K31-W35 PolarHBondContact O-N 2.76Å; W35-A37 VanDerWaalsContact C-N 3.3Å
36	G	36.3	Very low	36.4	Very low	79 Å²	79	127.3 Å²	127.3	81%	0.814	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-8.7	170.7	0	0	0	0	0	115	A34	A34-G36 PolarHBondContact O-N 3.5Å
37	A	38.4	Very low	36	Very low	76 Å²	76	130.5 Å²	130.5	63%	0.628	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	1.6	-173.5	0	0	0	0	0	114.2	A34 W35	A34-A37 PolarHBondContact O-N 2.73Å; W35-A37 VanDerWaalsContact C-N 3.3Å
38	L	36	Very low	35.7	Very low	148 Å²	148	136 Å²	136	78%	0.775	75%	0.751	S	S	*	*			trans	-109.2	59	-178	-86.8	160.8	0	0	0	112.4
39	R	39.7	Very low	35.6	Very low	237 Å²	237	142.6 Å²	142.6	89%	0.894	77%	0.765	S	S	*	*	S	Bend	trans	-144.7	60.9	161.3	-154.8	179.4	-167.9	175.6	2.7	111.2
40	E	35.1	Very low	35.2	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	77%	0.771	S	S	*	*	S	Bend	trans	-175.3	134.9	146.5	-101.7	161	-159.7	0	0	107.5
41	G	31	Very low	35	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	77%	0.765	S	S	*	*			trans	-71.1	150.4	-155.7	0	0	0	0	0	115.6
42	D	27.9	Very low	35.4	Very low	168 Å²	168	136.2 Å²	136.2	90%	0.898	76%	0.757	S	S	*	*				-162.5	149.6	100	-137.2	-16.7	0	0	0	111.3
43	N	38.8	Very low	35.5	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	76%	0.76	S	S	*	*			trans	-101	98.6	-171.5	-135.6	1.4	0	0	0	108.9
44	A	33.5	Very low	35.7	Very low	107 Å²	107	138.7 Å²	138.7	88%	0.884	76%	0.76	S	S	*	*			trans	-162.2	118.8	164.2	0	0	0	0	0	112.1
45	G	30.5	Very low	35.8	Very low	79 Å²	79	138.8 Å²	138.8	81%	0.814	76%	0.761	S	S	*	*			trans	124.5	33.8	163.1	0	0	0	0	0	118.1	L47	G45-L47 PolarHBondContact O-N 2.92Å
46	L	36.2	Very low	36	Very low	169 Å²	169	135.8 Å²	135.8	89%	0.885	75%	0.754	S	S	*	*			trans	-73.2	89.4	160.1	-98.9	155.5	0	0	0	109.3
47	L	33	Very low	36.5	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	74%	0.737	S	S	*	*			trans	172.3	104.2	155.2	-100	142.1	0	0	0	111.4	G45	G45-L47 PolarHBondContact O-N 2.92Å
48	H	30.6	Very low	36.9	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.796	73%	0.727	S	S	*	*				176	101.7	124.3	-93.6	-58.9	0	0	0	110.8
49	W	33.8	Very low	37.1	Very low	208 Å²	208	131.7 Å²	131.7	79%	0.788	71%	0.711	S	S	*	*			trans	-88.9	7.4	177.9	178.3	-98.6	0	0	0	113	R52	W49-R52 VanDerWaalsContact CH2-NH2 3.3Å
50	N	27.8	Very low	37.3	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	70%	0.699	S	S	*	*			trans	-115.5	22.7	-159.3	-115.5	20.5	0	0	0	118.1
51	S	36.8	Very low	37.7	Very low	90 Å²	90	122 Å²	122	63%	0.629	67%	0.674	S	S	*	*			trans	-132.1	74.8	170.6	63.5	0	0	0	0	111.5
52	R	47	Very low	38.4	Very low	151 Å²	151	119.9 Å²	119.9	57%	0.57	65%	0.649	S	S	*	*			trans	-107.4	42.7	171.8	-73.1	-155.9	-160.4	-165.9	9.5	112.7	W49 A55	W49-R52 VanDerWaalsContact CH2-NH2 3.3Å; R52-A55 HydrophobicContact CB-CB 4.06Å; R52-A55 HydrophobicContact CG-CB 4.16Å
53	L	38.9	Very low	38.9	Very low	136 Å²	136	114.1 Å²	114.1	71%	0.712	62%	0.624	S	S	*	*	H	α-helix	trans	-66.4	-35.8	156.3	-89.3	158.2	0	0	0	109.5	A55 F56 V57	L53-A55 PolarHBondContact O-N 2.93Å; L53-F56 PolarHBondContact O-N 3.41Å; L53-V57 WeakPolarHBondContact O-CB 3.26Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.49Å; L53-V57 PolarHBondContact O-N 3.01Å
54	D	42.8	Very low	39	Very low	109 Å²	109	111.9 Å²	111.9	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-64.6	-41.2	-179.7	-56.9	-28.7	0	0	0	112.5	F56 V57 L58	D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 3.32Å; D54-V57 PolarHBondContact O-N 2.95Å; D54-L58 WeakPolarHBondContact O-CA 3.49Å; D54-L58 WeakPolarHBondContact O-CB 3.27Å; D54-L58 WeakPolarHBondContact O-CD1 3.39Å; D54-L58 WeakPolarHBondContact O-CG 3.42Å; D54-L58 PolarHBondContact O-N 2.87Å
55	A	42.5	Very low	39.5	Very low	45 Å²	45	108.7 Å²	108.7	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-69.4	-29.1	178	0	0	0	0	0	113.4	R52 L53 S59	R52-A55 HydrophobicContact CB-CB 4.06Å; R52-A55 HydrophobicContact CG-CB 4.16Å; L53-A55 PolarHBondContact O-N 2.93Å; A55-S59 PolarHBondContact O-N 2.84Å
56	F	39.8	Very low	40	Very low	153 Å²	153	107.1 Å²	107.1	67%	0.671	56%	0.561	S	S	*	*	H	α-helix	trans	-80.9	-35.9	176.3	-112.9	-88.1	0	0	0	112.1	L53 D54 S59 Y60	L53-F56 PolarHBondContact O-N 3.41Å; D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 3.32Å; F56-S59 PolarHBondContact O-OG 3.24Å; F56-Y60 PolarHBondContact O-N 2.85Å
57	V	46.3	Very low	40	Very low	74 Å²	74	101.6 Å²	101.6	45%	0.448	54%	0.54	S	S	.	.	H	α-helix	trans	-72.4	-35.1	171.6	175	0	0	0	0	110.3	L53 D54 S59 Y60 V61	L53-V57 WeakPolarHBondContact O-CB 3.26Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.49Å; L53-V57 PolarHBondContact O-N 3.01Å; D54-V57 PolarHBondContact O-N 2.95Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.32Å; V57-Y60 PolarHBondContact O-N 2.79Å; V57-V61 HydrophobicContact CG1-CG2 3.68Å; V57-V61 VanDerWaalsContact O-CB 3.3Å; V57-V61 WeakPolarHBondContact O-CB 3.39Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.37Å
58	L	46.6	Very low	40.5	Very low	79 Å²	79	97.2 Å²	97.2	41%	0.414	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-39.4	172.5	-101.4	138	0	0	0	112.4	D54 A62 I237	D54-L58 WeakPolarHBondContact O-CA 3.49Å; D54-L58 WeakPolarHBondContact O-CB 3.27Å; D54-L58 WeakPolarHBondContact O-CD1 3.39Å; D54-L58 WeakPolarHBondContact O-CG 3.42Å; D54-L58 PolarHBondContact O-N 2.87Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.47Å; L58-I237 HydrophobicContact CD2-CG2 3.77Å
59	S	40.6	Very low	41.1	Very low	64 Å²	64	93.6 Å²	93.6	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-72.3	-39.6	176.5	66.6	0	0	0	0	111.4	A55 F56 V57 A63	A55-S59 PolarHBondContact O-N 2.84Å; F56-S59 PolarHBondContact O-OG 3.24Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.32Å; S59-A63 WeakPolarHBondContact O-CA 3.43Å; S59-A63 WeakPolarHBondContact O-CB 3.21Å; S59-A63 PolarHBondContact O-N 3.06Å
60	Y	43.4	Very low	41.6	Very low	163 Å²	163	89.9 Å²	89.9	64%	0.639	50%	0.498	S	S	*	.	H	α-helix	trans	-77.1	-38.1	-178.4	-111.1	-94.2	0	0	0	114.6	F56 V57 A63 L64	F56-Y60 PolarHBondContact O-N 2.85Å; V57-Y60 PolarHBondContact O-N 2.79Å; Y60-A63 PolarHBondContact O-N 2.8Å; Y60-L64 WeakPolarHBondContact O-CB 3.24Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 3.35Å
61	V	44.5	Very low	42.3	Very low	60 Å²	60	90.1 Å²	90.1	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-78.4	-27.6	-178.4	176.7	0	0	0	0	111.9	V57 P65 F241	V57-V61 HydrophobicContact CG1-CG2 3.68Å; V57-V61 VanDerWaalsContact O-CB 3.3Å; V57-V61 WeakPolarHBondContact O-CB 3.39Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.37Å; V61-P65 WeakPolarHBondContact O-CD 3.39Å; V61-P65 WeakPolarHBondContact O-CG 3.25Å; V61-F241 HydrophobicContact CG1-CE2 4.42Å; V61-F241 HydrophobicContact CG1-CZ 4.08Å
62	A	44.4	Very low	42.7	Very low	34 Å²	34	93.9 Å²	93.9	28%	0.281	50%	0.499	S	S	.	.	H	α-helix	trans	-79.1	-34.7	165.9	0	0	0	0	0	111.7	L58 A66 I237	L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.47Å; A62-A66 WeakPolarHBondContact O-CB 3.08Å; A62-A66 PolarHBondContact O-N 3.19Å; A62-I237 HydrophobicContact CB-CD1 4.11Å
63	A	39.2	Very low	42.4	Very low	46 Å²	46	88.4 Å²	88.4	38%	0.38	48%	0.48	S	S	.	.	H	α-helix	trans	-70.3	-27.5	177.1	0	0	0	0	0	113.3	S59 Y60 A67	S59-A63 WeakPolarHBondContact O-CA 3.43Å; S59-A63 WeakPolarHBondContact O-CB 3.21Å; S59-A63 PolarHBondContact O-N 3.06Å; Y60-A63 PolarHBondContact O-N 2.8Å; A63-A67 VanDerWaalsContact O-CA 3.31Å; A63-A67 WeakPolarHBondContact O-CA 3.42Å; A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 3.32Å
64	L	41.1	Very low	42.4	Very low	110 Å²	110	83.3 Å²	83.3	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-48.7	-178.6	-87.5	161.7	0	0	0	113.7	Y60 A67 A68	Y60-L64 WeakPolarHBondContact O-CB 3.24Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 3.35Å; L64-A67 PolarHBondContact O-N 2.93Å; L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.24Å; L64-A68 PolarHBondContact O-N 3.2Å
65	P	44.2	Very low	42.4	Very low	40 Å²	40	81.9 Å²	81.9	26%	0.26	46%	0.459	S	S	.	.	H	α-helix	trans	-67.1	-39	171.4	-17.7	29.9	0	0	0	111.7	V61 A67 A68 L69 L248	V61-P65 WeakPolarHBondContact O-CD 3.39Å; V61-P65 WeakPolarHBondContact O-CG 3.25Å; P65-A67 VanDerWaalsContact C-N 3.35Å; P65-A68 PolarHBondContact O-N 2.98Å; P65-L69 WeakPolarHBondContact O-CB 3.36Å; P65-L69 PolarHBondContact O-N 3.09Å; P65-L248 HydrophobicContact CB-CD2 3.93Å; P65-L248 HydrophobicContact CG-CD2 3.57Å
66	A	40.3	Very low	42.3	Very low	46 Å²	46	81.6 Å²	81.6	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-66.1	-35.9	175.5	0	0	0	0	0	111.9	A62 W70	A62-A66 WeakPolarHBondContact O-CB 3.08Å; A62-A66 PolarHBondContact O-N 3.19Å; A66-W70 WeakPolarHBondContact O-CA 3.11Å; A66-W70 WeakPolarHBondContact O-CB 3.5Å; A66-W70 PolarHBondContact O-N 3.28Å
67	A	37.5	Very low	42.4	Very low	53 Å²	53	77.7 Å²	77.7	44%	0.438	43%	0.43	S	S	.	.	H	α-helix	trans	-75.8	-33.6	175.3	0	0	0	0	0	111.6	A63 L64 P65 W70 H71	A63-A67 VanDerWaalsContact O-CA 3.31Å; A63-A67 WeakPolarHBondContact O-CA 3.42Å; A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 3.32Å; L64-A67 PolarHBondContact O-N 2.93Å; P65-A67 VanDerWaalsContact C-N 3.35Å; A67-W70 CarbonylContact O-C 3.32Å; A67-W70 PolarHBondContact O-N 2.85Å; A67-H71 WeakPolarHBondContact O-CA 3.27Å; A67-H71 WeakPolarHBondContact O-CB 3.35Å; A67-H71 PolarHBondContact O-N 3.29Å
68	A	42.2	Very low	41.9	Very low	59 Å²	59	76.8 Å²	76.8	49%	0.488	43%	0.431	S	S	.	.	H	α-helix	trans	-70.7	-40.1	171.8	0	0	0	0	0	111.5	L64 P65 H71 K72	L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.24Å; L64-A68 PolarHBondContact O-N 3.2Å; P65-A68 PolarHBondContact O-N 2.98Å; A68-H71 PolarHBondContact O-N 3.32Å; A68-K72 PolarHBondContact O-N 2.91Å
69	L	43.7	Very low	41.3	Very low	96 Å²	96	78.2 Å²	78.2	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-61.3	-46.2	167.7	-121	97.3	0	0	0	109.6	P65 H71 K72 L73	P65-L69 WeakPolarHBondContact O-CB 3.36Å; P65-L69 PolarHBondContact O-N 3.09Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.01Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 PolarHBondContact O-N 2.92Å; L69-L73 HydrophobicContact CB-CD1 4.26Å; L69-L73 HydrophobicContact CD2-CD1 3.88Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 WeakPolarHBondContact O-CA 3.37Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CD1 3.29Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.08Å; L69-L73 PolarHBondContact O-N 3.4Å
70	W	43.4	Very low	41.1	Very low	131 Å²	131	79.2 Å²	79.2	50%	0.496	45%	0.452	S	S	.	.	H	α-helix	trans	-68.3	-25.8	178.9	-170.1	-94.3	0	0	0	113.3	L12 A66 A67 L73 G74	L12-W70 HydrophobicContact CB-CH2 4.47Å; L12-W70 HydrophobicContact CD1-CH2 4.43Å; A66-W70 WeakPolarHBondContact O-CA 3.11Å; A66-W70 WeakPolarHBondContact O-CB 3.5Å; A66-W70 PolarHBondContact O-N 3.28Å; A67-W70 CarbonylContact O-C 3.32Å; A67-W70 PolarHBondContact O-N 2.85Å; W70-L73 CarbonylContact O-C 3.56Å; W70-G74 WeakPolarHBondContact O-CA 3.45Å; W70-G74 PolarHBondContact O-N 3.01Å
71	H	44.1	Very low	40.7	Very low	154 Å²	154	75.6 Å²	75.6	71%	0.713	46%	0.464	S	S	*	.	H	α-helix	trans	-81.6	-34.2	175.5	-163.4	-62.2	0	0	0	110.5	A67 A68 L69 G74 S75	A67-H71 WeakPolarHBondContact O-CA 3.27Å; A67-H71 WeakPolarHBondContact O-CB 3.35Å; A67-H71 PolarHBondContact O-N 3.29Å; A68-H71 PolarHBondContact O-N 3.32Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.01Å; H71-G74 PolarHBondContact O-N 3.01Å; H71-S75 PolarHBondContact O-N 3.37Å
72	K	45.2	Very low	40.5	Very low	169 Å²	169	81 Å²	81	74%	0.735	49%	0.485	S	S	*	.	H	α-helix	trans	-72.6	-39.5	168.3	-91.6	-173.8	171.9	-179.4	0	112.7	A68 L69 G74 S75 F76	A68-K72 PolarHBondContact O-N 2.91Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 PolarHBondContact O-N 2.92Å; K72-G74 VanDerWaalsContact C-N 3.29Å; K72-S75 PolarHBondContact O-N 3.11Å; K72-S75 PolarHBondContact O-OG 3.34Å; K72-F76 PolarHBondContact O-N 3.01Å
73	L	40.3	Very low	40.7	Very low	35 Å²	35	86.9 Å²	86.9	18%	0.183	50%	0.504	C	S	.	.	H	α-helix	trans	-71.6	-25.7	170	-77.7	157.7	0	0	0	111.2	L69 W70 F76 F222 L226	L69-L73 HydrophobicContact CB-CD1 4.26Å; L69-L73 HydrophobicContact CD2-CD1 3.88Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 WeakPolarHBondContact O-CA 3.37Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CD1 3.29Å; L69-L73 VanDerWaalsContact O-CG 3.25Å; L69-L73 WeakPolarHBondContact O-CG 3.08Å; L69-L73 PolarHBondContact O-N 3.4Å; W70-L73 CarbonylContact O-C 3.56Å; L73-F76 WeakPolarHBondContact O-CB 3.07Å; L73-F76 PolarHBondContact O-N 3.39Å; L73-F76 VanDerWaalsContact O-N 3.16Å; L73-F222 HydrophobicContact CD2-CE2 3.56Å; L73-F222 HydrophobicContact CD2-CZ 3.49Å; L73-F222 VanDerWaalsContact CD2-CZ 3.49Å; L73-L226 HydrophobicContact CD1-CD1 4.19Å
74	G	38.7	Very low	41.4	Very low	30 Å²	30	85 Å²	85	31%	0.309	49%	0.489	S	S	.	.	H	α-helix	trans	-73.6	-34.7	173	0	0	0	0	0	110.8	W70 H71 K72 F76 W77 A78	W70-G74 WeakPolarHBondContact O-CA 3.45Å; W70-G74 PolarHBondContact O-N 3.01Å; H71-G74 PolarHBondContact O-N 3.01Å; K72-G74 VanDerWaalsContact C-N 3.29Å; G74-F76 PolarHBondContact O-N 3.2Å; G74-W77 PolarHBondContact O-N 3.24Å; G74-A78 PolarHBondContact O-N 2.82Å
75	S	42.9	Very low	41.9	Very low	78 Å²	78	82 Å²	82	55%	0.545	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.8	167.2	73.1	0	0	0	0	114.1	H71 K72 W77	H71-S75 PolarHBondContact O-N 3.37Å; K72-S75 PolarHBondContact O-N 3.11Å; K72-S75 PolarHBondContact O-OG 3.34Å; S75-W77 VanDerWaalsContact C-N 3.27Å
76	F	40.3	Very low	42.7	Very low	39 Å²	39	80.5 Å²	80.5	17%	0.171	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.4	167.5	-157.7	-93.2	0	0	0	112	K72 L73 G74 L89 M384	K72-F76 PolarHBondContact O-N 3.01Å; L73-F76 WeakPolarHBondContact O-CB 3.07Å; L73-F76 PolarHBondContact O-N 3.39Å; L73-F76 VanDerWaalsContact O-N 3.16Å; G74-F76 PolarHBondContact O-N 3.2Å; F76-L89 HydrophobicContact CE1-CD1 4.05Å; F76-M384 HydrophobicContact CZ-CE 4.48Å; F76-M384 HydrophobicContact CZ-CG 4.05Å
77	W	40.9	Very low	43.9	Very low	71 Å²	71	81.5 Å²	81.5	27%	0.269	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-8	-174.5	-63.1	89.8	0	0	0	113.4	W8 G74 S75 P79 L93	W8-W77 AromaticContact CD2-CH2 3.96Å; W8-W77 HydrophobicContact CD2-CH2 3.96Å; W8-W77 HydrophobicContact CD2-CZ3 4.45Å; W8-W77 AromaticContact CE3-CH2 3.46Å; W8-W77 HydrophobicContact CE3-CH2 3.46Å; W8-W77 VanDerWaalsContact CE3-CH2 3.46Å; W8-W77 AromaticContact CE3-CZ2 3.88Å; W8-W77 HydrophobicContact CE3-CZ2 3.88Å; W8-W77 HydrophobicContact CE3-CZ3 4.25Å; W8-W77 HydrophobicContact CH2-CH2 4.4Å; W8-W77 AromaticContact CZ3-CH2 3.71Å; W8-W77 HydrophobicContact CZ3-CH2 3.71Å; W8-W77 AromaticContact CZ3-CZ2 3.86Å; W8-W77 HydrophobicContact CZ3-CZ2 3.86Å; G74-W77 PolarHBondContact O-N 3.24Å; S75-W77 VanDerWaalsContact C-N 3.27Å; W77-P79 WeakPolarHBondContact O-CD 3.5Å; W77-L93 HydrophobicContact CH2-CD1 3.63Å; W77-L93 HydrophobicContact CZ3-CD1 4.1Å
78	A	36	Very low	45.5	Very low	55 Å²	55	79.6 Å²	79.6	46%	0.455	45%	0.453	S	S	.	.	S	Bend	trans	-74.1	122.9	176.8	0	0	0	0	0	109.9	G74 S80	G74-A78 PolarHBondContact O-N 2.82Å; A78-S80 PolarHBondContact O-N 2.96Å
79	P	35.3	Very low	46.7	Very low	110 Å²	110	77.6 Å²	77.6	71%	0.714	43%	0.434	S	S	*	.			trans	-69	102.1	176.9	26.6	-30.6	0	0	0	109.1	W77	W77-P79 WeakPolarHBondContact O-CD 3.5Å
80	S	35.4	Very low	47.9	Very low	85 Å²	85	74.8 Å²	74.8	59%	0.594	42%	0.422	S	S	*	.			trans	-73.1	140.2	164.2	51.4	0	0	0	0	109.1	A78 H82	A78-S80 PolarHBondContact O-N 2.96Å; S80-H82 PolarHBondContact O-N 3.06Å
81	G	35	Very low	49.5	Very low	86 Å²	86	72.2 Å²	72.2	89%	0.887	41%	0.413	S	S	*	.	S	Bend	trans	-64.2	22.3	-161.1	0	0	0	0	0	119.6
82	H	40.4	Very low	50.9	Low	174 Å²	174	65.1 Å²	65.1	81%	0.806	38%	0.38	S	S	*	.	S	Bend	trans	-131.3	114.3	164.7	-88.6	-5.8	0	0	0	107.1	S80 G84	S80-H82 PolarHBondContact O-N 3.06Å; H82-G84 WeakPolarHBondContact O-CA 3.29Å; H82-G84 PolarHBondContact O-N 3.48Å
83	K	48.2	Very low	52.1	Low	157 Å²	157	57.6 Å²	57.6	68%	0.683	35%	0.347	S	S	*	.	S	Bend	trans	4.8	71.5	178.2	-74.8	-174.8	176.1	-175.8	0	112.4	M88	K83-M88 HydrophobicContact CB-CE 4.47Å
84	G	53.4	Low	53.6	Low	7 Å²	7	57.6 Å²	57.6	7%	0.072	36%	0.356	C	S	.	.			trans	-70.8	158.2	-154.7	0	0	0	0	0	112.8	H82 G86 D87 M88	H82-G84 WeakPolarHBondContact O-CA 3.29Å; H82-G84 PolarHBondContact O-N 3.48Å; G84-G86 PolarHBondContact O-N 3Å; G84-G86 VanDerWaalsContact O-N 3.07Å; G84-D87 WeakPolarHBondContact O-CB 3.5Å; G84-D87 PolarHBondContact O-N 3.26Å; G84-M88 PolarHBondContact O-N 3.05Å
85	A	53.6	Low	55.3	Low	46 Å²	46	58.3 Å²	58.3	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-53.2	-33	175.9	0	0	0	0	0	113.1	L89 V388	A85-L89 WeakPolarHBondContact O-CG 3.4Å; A85-L89 PolarHBondContact O-N 3.28Å; A85-L89 VanDerWaalsContact O-N 3.1Å; A85-V388 HydrophobicContact CB-CB 4.16Å; A85-V388 HydrophobicContact CB-CG1 3.48Å; A85-V388 VanDerWaalsContact CB-CG1 3.48Å
86	G	59.2	Low	56.7	Low	9 Å²	9	55.1 Å²	55.1	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-67	-34.3	173.9	0	0	0	0	0	114.1	G84 C90	G84-G86 PolarHBondContact O-N 3Å; G84-G86 VanDerWaalsContact O-N 3.07Å; G86-C90 WeakPolarHBondContact O-CB 3.43Å; G86-C90 PolarHBondContact O-N 3.14Å; G86-C90 PolarHBondContact O-SG 3.13Å
87	D	67.3	Low	57.8	Low	68 Å²	68	57 Å²	57	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-41.3	177.5	-168.7	36.2	0	0	0	110.7	G84 C90 R91	G84-D87 WeakPolarHBondContact O-CB 3.5Å; G84-D87 PolarHBondContact O-N 3.26Å; D87-C90 CarbonylContact O-C 3.48Å; D87-C90 WeakPolarHBondContact O-CB 3.46Å; D87-C90 PolarHBondContact O-N 3.47Å; D87-R91 WeakPolarHBondContact O-CB 3.08Å; D87-R91 VanDerWaalsContact O-CG 3.25Å; D87-R91 WeakPolarHBondContact O-CG 3.41Å; D87-R91 PolarHBondContact O-N 3.13Å
88	M	69.9	Low	58.9	Low	13 Å²	13	58.7 Å²	58.7	6%	0.064	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-43.3	175.1	-66.5	-179.1	-173.3	0	0	112.5	K83 G84 C90 R91 M92 V388 E392 F395	K83-M88 HydrophobicContact CB-CE 4.47Å; G84-M88 PolarHBondContact O-N 3.05Å; M88-C90 VanDerWaalsContact C-N 3.34Å; M88-R91 PolarHBondContact O-N 3.43Å; M88-M92 WeakPolarHBondContact O-CG 3.49Å; M88-M92 PolarHBondContact O-N 3.22Å; M88-V388 HydrophobicContact CB-CG1 3.86Å; M88-V388 HydrophobicContact CG-CG1 4.45Å; M88-V388 HydrophobicContact SD-CG1 3.91Å; M88-E392 HydrophobicContact CE-CB 3.52Å; M88-E392 HydrophobicContact CE-CG 3.45Å; M88-E392 VanDerWaalsContact CE-CG 3.45Å; M88-E392 HydrophobicContact SD-CB 3.78Å; M88-E392 HydrophobicContact SD-CG 4.39Å; M88-F395 HydrophobicContact CB-CE2 4.38Å; M88-F395 HydrophobicContact CG-CD2 4.43Å
89	L	68.5	Low	60.4	Low	17 Å²	17	58.2 Å²	58.2	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-43.3	172.4	-75.4	170.8	0	0	0	111.3	F76 A85 R91 M92 L93 I215 M384 V388	F76-L89 HydrophobicContact CE1-CD1 4.05Å; A85-L89 WeakPolarHBondContact O-CG 3.4Å; A85-L89 PolarHBondContact O-N 3.28Å; A85-L89 VanDerWaalsContact O-N 3.1Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.11Å; L89-M92 PolarHBondContact O-N 2.99Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-I215 HydrophobicContact CD2-CD1 4.4Å; L89-I215 HydrophobicContact CD2-CG2 4.34Å; L89-M384 HydrophobicContact CD1-CG 4.33Å; L89-M384 HydrophobicContact CD2-SD 4.26Å; L89-V388 HydrophobicContact CD1-CG2 3.86Å; L89-V388 HydrophobicContact CD2-CG2 3.67Å; L89-V388 HydrophobicContact CG-CG2 3.53Å
90	C	69	Low	62.2	Low	37 Å²	37	56.4 Å²	56.4	25%	0.25	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-37.5	175.5	-73.9	0	0	0	0	112.3	G86 D87 M88 G94	G86-C90 WeakPolarHBondContact O-CB 3.43Å; G86-C90 PolarHBondContact O-N 3.14Å; G86-C90 PolarHBondContact O-SG 3.13Å; D87-C90 CarbonylContact O-C 3.48Å; D87-C90 WeakPolarHBondContact O-CB 3.46Å; D87-C90 PolarHBondContact O-N 3.47Å; M88-C90 VanDerWaalsContact C-N 3.34Å; C90-G94 PolarHBondContact O-N 3.17Å
91	R	75.5	Confident	64.2	Low	77 Å²	77	55 Å²	55	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-42.4	176.2	-72.2	-178.9	71.3	-175.8	2.2	112.1	D87 M88 L89 G94 F95 F395 D399	D87-R91 WeakPolarHBondContact O-CB 3.08Å; D87-R91 VanDerWaalsContact O-CG 3.25Å; D87-R91 WeakPolarHBondContact O-CG 3.41Å; D87-R91 PolarHBondContact O-N 3.13Å; M88-R91 PolarHBondContact O-N 3.43Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.11Å; R91-G94 WeakPolarHBondContact O-CA 3.38Å; R91-G94 PolarHBondContact O-N 2.98Å; R91-G94 VanDerWaalsContact O-N 3.12Å; R91-F95 VanDerWaalsContact O-CD2 3.27Å; R91-F95 WeakPolarHBondContact O-CD2 3.46Å; R91-F395 HydrophobicContact CB-CE1 3.96Å; R91-F395 HydrophobicContact CB-CZ 3.81Å; R91-D399 IonicContact CZ-OD1 3.85Å; R91-D399 IonicContact CZ-OD2 3.86Å; R91-D399 IonicContact NH1-OD1 3.55Å; R91-D399 PolarHBondContact NH1-OD1 3.38Å; R91-D399 IonicContact NH1-OD2 2.77Å; R91-D399 PolarHBondContact NH1-OD2 2.9Å; R91-D399 IonicContact NH2-OD1 3.15Å; R91-D399 PolarHBondContact NH2-OD1 2.84Å; R91-D399 IonicContact NH2-OD2 3.68Å
92	M	73.8	Confident	66.6	Low	5 Å²	5	56 Å²	56	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-44.9	173.6	-69.6	-163.7	85	0	0	111.5	M88 L89 G94 F95 V211 I215 F395	M88-M92 WeakPolarHBondContact O-CG 3.49Å; M88-M92 PolarHBondContact O-N 3.22Å; L89-M92 PolarHBondContact O-N 2.99Å; M92-G94 PolarHBondContact O-N 3.14Å; M92-F95 WeakPolarHBondContact O-CB 3.4Å; M92-F95 PolarHBondContact O-N 3.08Å; M92-V211 HydrophobicContact CE-CG1 3.94Å; M92-V211 HydrophobicContact SD-CG1 4.1Å; M92-I215 HydrophobicContact CE-CD1 4Å; M92-I215 HydrophobicContact SD-CD1 3.21Å; M92-I215 WeakPolarHBondContact SD-CD1 3.4Å; M92-F395 HydrophobicContact CG-CE2 3.48Å; M92-F395 VanDerWaalsContact CG-CE2 3.48Å; M92-F395 HydrophobicContact CG-CZ 3.43Å; M92-F395 VanDerWaalsContact CG-CZ 3.43Å; M92-F395 HydrophobicContact SD-CE2 4.13Å
93	L	69.8	Low	68.5	Low	10 Å²	10	49.2 Å²	49.2	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-24	173.6	-68.1	171.6	0	0	0	112.5	W8 W77 L89 F95 L96 L219	W8-L93 HydrophobicContact CD2-CD1 4.47Å; W8-L93 HydrophobicContact CH2-CD1 4.25Å; W8-L93 HydrophobicContact CZ2-CD1 3.85Å; W8-L93 HydrophobicContact CZ2-CD2 3.93Å; W8-L93 HydrophobicContact CZ2-CG 4.41Å; W77-L93 HydrophobicContact CH2-CD1 3.63Å; W77-L93 HydrophobicContact CZ3-CD1 4.1Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 3.39Å; L93-F95 PolarHBondContact O-N 3.33Å; L93-L96 HydrophobicContact CD2-CD1 3.64Å; L93-L96 VanDerWaalsContact O-CB 3.31Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 2.83Å; L93-L219 HydrophobicContact CD2-CD2 3.93Å
94	G	73.7	Confident	70.2	Confident	35 Å²	35	45.2 Å²	45.2	36%	0.361	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-25.5	170.6	0	0	0	0	0	113.3	C90 R91 M92 L96 D97	C90-G94 PolarHBondContact O-N 3.17Å; R91-G94 WeakPolarHBondContact O-CA 3.38Å; R91-G94 PolarHBondContact O-N 2.98Å; R91-G94 VanDerWaalsContact O-N 3.12Å; M92-G94 PolarHBondContact O-N 3.14Å; G94-L96 PolarHBondContact O-N 3.01Å; G94-D97 WeakPolarHBondContact O-CB 3.3Å; G94-D97 PolarHBondContact O-N 2.85Å
95	F	74.4	Confident	71.9	Confident	46 Å²	46	49 Å²	49	20%	0.202	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.7	173.5	-69.4	-84.4	0	0	0	113	R91 M92 L93 M172 R175 V176 E179 F395	R91-F95 VanDerWaalsContact O-CD2 3.27Å; R91-F95 WeakPolarHBondContact O-CD2 3.46Å; M92-F95 WeakPolarHBondContact O-CB 3.4Å; M92-F95 PolarHBondContact O-N 3.08Å; L93-F95 PolarHBondContact O-N 3.33Å; F95-M172 HydrophobicContact CB-CG 4.19Å; F95-R175 HydrophobicContact CD1-CG 4.31Å; F95-R175 PolarHBondContact O-NH1 2.93Å; F95-V176 HydrophobicContact CB-CG2 4.37Å; F95-V176 HydrophobicContact CD1-CG2 4.47Å; F95-V176 HydrophobicContact CD2-CG2 4.11Å; F95-V176 HydrophobicContact CG-CG2 4.07Å; F95-E179 HydrophobicContact CE1-CG 4.23Å; F95-F395 HydrophobicContact CE2-CE1 4.21Å; F95-F395 HydrophobicContact CE2-CZ 4.45Å
96	L	71.4	Confident	73.6	Confident	10 Å²	10	47 Å²	47	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2	174.7	-74.1	141.6	0	0	0	113.7	L93 G94 S98 K99 L103 T168 M169 M172	L93-L96 HydrophobicContact CD2-CD1 3.64Å; L93-L96 VanDerWaalsContact O-CB 3.31Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 2.83Å; G94-L96 PolarHBondContact O-N 3.01Å; L96-S98 PolarHBondContact O-N 3.44Å; L96-K99 PolarHBondContact O-N 2.91Å; L96-L103 HydrophobicContact CB-CD1 4.33Å; L96-L103 HydrophobicContact CD2-CD1 4.21Å; L96-T168 HydrophobicContact CD2-CG2 3.6Å; L96-M169 HydrophobicContact CD1-SD 4.33Å; L96-M172 HydrophobicContact CD1-CG 4.33Å; L96-M172 HydrophobicContact CD1-SD 3.47Å; L96-M172 WeakPolarHBondContact CD1-SD 3.38Å; L96-M172 HydrophobicContact CD2-CB 4.3Å; L96-M172 HydrophobicContact CG-CB 4.25Å; L96-M172 HydrophobicContact CG-CG 4.08Å; L96-M172 HydrophobicContact CG-SD 3.89Å
97	D	63.9	Low	74.9	Confident	79 Å²	79	48.3 Å²	48.3	42%	0.422	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-55.8	-28.5	-169.2	-118.2	36.4	0	0	0	114.5	G94 K99 K100	G94-D97 WeakPolarHBondContact O-CB 3.3Å; G94-D97 PolarHBondContact O-N 2.85Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 PolarHBondContact O-N 2.96Å; D97-K100 VanDerWaalsContact CG-CE 3.45Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 3.32Å; D97-K100 PolarHBondContact OD1-NZ 2.95Å; D97-K100 IonicContact OD2-NZ 3.51Å; D97-K100 PolarHBondContact OD2-NZ 3.4Å
98	S	62.8	Low	75.9	Confident	106 Å²	106	49.4 Å²	49.4	74%	0.741	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-73.6	-11	179.4	-174.6	0	0	0	0	114.3	L96	L96-S98 PolarHBondContact O-N 3.44Å
99	K	69.1	Low	76.8	Confident	46 Å²	46	50 Å²	50	20%	0.2	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-133.6	25.3	-171.7	-67.5	-172.8	176.6	-173	0	114.7	L96 D97 G101 R102 T168 H171	L96-K99 PolarHBondContact O-N 2.91Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 PolarHBondContact O-N 2.96Å; K99-G101 PolarHBondContact O-N 3.47Å; K99-R102 VanDerWaalsContact NZ-NH1 3.14Å; K99-R102 PolarHBondContact O-N 3.36Å; K99-T168 HydrophobicContact CB-CG2 4.44Å; K99-H171 PolarHBondContact NZ-CE1 3.04Å; K99-H171 VanDerWaalsContact NZ-CG 3.3Å; K99-H171 PolarHBondContact NZ-ND1 2.74Å
100	K	71.4	Confident	77.8	Confident	72 Å²	72	49.8 Å²	49.8	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-49.3	-36	178.8	-69.8	176.8	177	159	0	114.1	D97 R102 L103 H104	D97-K100 VanDerWaalsContact CG-CE 3.45Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 3.32Å; D97-K100 PolarHBondContact OD1-NZ 2.95Å; D97-K100 IonicContact OD2-NZ 3.51Å; D97-K100 PolarHBondContact OD2-NZ 3.4Å; K100-R102 VanDerWaalsContact C-N 3.28Å; K100-R102 PolarHBondContact O-N 3.22Å; K100-L103 PolarHBondContact O-N 3.37Å; K100-H104 PolarHBondContact O-CD2 2.84Å; K100-H104 PolarHBondContact O-N 3.37Å; K100-H104 VanDerWaalsContact O-N 3.13Å
101	G	78.9	Confident	78.6	Confident	56 Å²	56	50.4 Å²	50.4	58%	0.577	28%	0.277	S	S	*	.	H	α-helix	trans	-60	-32.8	177	0	0	0	0	0	114.4	K99 L105	K99-G101 PolarHBondContact O-N 3.47Å; G101-L105 PolarHBondContact O-N 3.12Å; G101-L105 VanDerWaalsContact O-N 3.13Å
102	R	84.1	Confident	79.2	Confident	107 Å²	107	51.2 Å²	51.2	40%	0.404	29%	0.287	S	S	.	.	H	α-helix	trans	-73.5	-37.8	178	-63.5	-172.8	-174.1	-173.1	-4.2	112.1	K99 K100 H104 L105 V106 I164	K99-R102 VanDerWaalsContact NZ-NH1 3.14Å; K99-R102 PolarHBondContact O-N 3.36Å; K100-R102 VanDerWaalsContact C-N 3.28Å; K100-R102 PolarHBondContact O-N 3.22Å; R102-H104 VanDerWaalsContact C-N 3.35Å; R102-L105 WeakPolarHBondContact O-CB 3.47Å; R102-L105 PolarHBondContact O-N 3.21Å; R102-V106 WeakPolarHBondContact O-CG2 3.48Å; R102-V106 PolarHBondContact O-N 3.01Å; R102-I164 HydrophobicContact CB-CG2 4.24Å
103	L	81.2	Confident	80	Confident	31 Å²	31	51 Å²	51	16%	0.162	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-40.2	174.9	-79.3	164.8	0	0	0	111.6	L96 K100 L105 V106 L107	L96-L103 HydrophobicContact CB-CD1 4.33Å; L96-L103 HydrophobicContact CD2-CD1 4.21Å; K100-L103 PolarHBondContact O-N 3.37Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.42Å; L103-V106 PolarHBondContact O-N 2.85Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 2.78Å
104	H	84.4	Confident	80.8	Confident	73 Å²	73	50.5 Å²	50.5	34%	0.338	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-42.9	172.4	-76.4	-60.2	0	0	0	112.3	A11 K100 R102 L107 V108	A11-H104 VanDerWaalsContact CB-CE1 3.45Å; A11-H104 WeakPolarHBondContact CB-CE1 3.25Å; K100-H104 PolarHBondContact O-CD2 2.84Å; K100-H104 PolarHBondContact O-N 3.37Å; K100-H104 VanDerWaalsContact O-N 3.13Å; R102-H104 VanDerWaalsContact C-N 3.35Å; H104-L107 PolarHBondContact O-N 3.15Å; H104-V108 WeakPolarHBondContact O-CG2 3.47Å; H104-V108 PolarHBondContact O-N 2.84Å
105	L	88.6	Confident	81.3	Confident	85 Å²	85	52.8 Å²	52.8	45%	0.445	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176	-178.2	64.7	0	0	0	111.9	G101 R102 L103 L107 V108 L109 I164	G101-L105 PolarHBondContact O-N 3.12Å; G101-L105 VanDerWaalsContact O-N 3.13Å; R102-L105 WeakPolarHBondContact O-CB 3.47Å; R102-L105 PolarHBondContact O-N 3.21Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.42Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.79Å; L105-V108 PolarHBondContact O-N 2.89Å; L105-L109 HydrophobicContact CD1-CD1 4.41Å; L105-L109 HydrophobicContact CD1-CG 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 HydrophobicContact CG-CG 4.5Å; L105-L109 WeakPolarHBondContact O-CB 3.2Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 3.21Å; L105-I164 HydrophobicContact CD2-CD1 3.9Å; L105-I164 HydrophobicContact CG-CD1 4.47Å
106	V	88.5	Confident	81.9	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-44.6	175	171.4	0	0	0	0	110.7	R102 L103 V108 L109 L110 I164 Y165	R102-V106 WeakPolarHBondContact O-CG2 3.48Å; R102-V106 PolarHBondContact O-N 3.01Å; L103-V106 PolarHBondContact O-N 2.85Å; V106-V108 PolarHBondContact O-N 2.86Å; V106-L109 PolarHBondContact O-N 2.84Å; V106-L110 WeakPolarHBondContact O-CB 3.4Å; V106-L110 PolarHBondContact O-N 3.06Å; V106-I164 HydrophobicContact CG2-CB 3.94Å; V106-I164 HydrophobicContact CG2-CG2 3.62Å; V106-Y165 HydrophobicContact CG1-CD2 4.27Å
107	L	86.6	Confident	82.5	Confident	36 Å²	36	51.9 Å²	51.9	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-40	-179.5	-166.3	133.9	0	0	0	112.4	L15 L103 H104 L105 I111	L15-L107 HydrophobicContact CD1-CD1 3.75Å; L15-L107 HydrophobicContact CD1-CD2 3.96Å; L15-L107 HydrophobicContact CD1-CG 4.31Å; L15-L107 HydrophobicContact CG-CD2 4.07Å; L103-L107 WeakPolarHBondContact O-CB 3.44Å; L103-L107 PolarHBondContact O-N 2.78Å; H104-L107 PolarHBondContact O-N 3.15Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.79Å; L107-I111 HydrophobicContact CD2-CD1 3.75Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.44Å; L107-I111 VanDerWaalsContact O-N 3.1Å
108	V	88.3	Confident	83.5	Confident	90 Å²	90	48.1 Å²	48.1	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-65.9	-46	175.1	171.7	0	0	0	0	111.2	H104 L105 V106 L110 I111 L112	H104-V108 WeakPolarHBondContact O-CG2 3.47Å; H104-V108 PolarHBondContact O-N 2.84Å; L105-V108 PolarHBondContact O-N 2.89Å; V106-V108 PolarHBondContact O-N 2.86Å; V108-L110 VanDerWaalsContact C-N 3.3Å; V108-L110 PolarHBondContact O-N 3.14Å; V108-I111 PolarHBondContact O-N 3.39Å; V108-L112 PolarHBondContact O-N 2.78Å
109	L	89.6	Confident	84.6	Confident	27 Å²	27	43.6 Å²	43.6	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-41.2	177.6	-71.9	171.1	0	0	0	111.6	L105 V106 L112 S113 L157 I164	L105-L109 HydrophobicContact CD1-CD1 4.41Å; L105-L109 HydrophobicContact CD1-CG 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 HydrophobicContact CG-CG 4.5Å; L105-L109 WeakPolarHBondContact O-CB 3.2Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 3.21Å; V106-L109 PolarHBondContact O-N 2.84Å; L109-L112 PolarHBondContact O-N 3.09Å; L109-S113 WeakPolarHBondContact O-CB 3.39Å; L109-S113 PolarHBondContact O-N 3.34Å; L109-L157 HydrophobicContact CD2-CD2 3.67Å; L109-I164 HydrophobicContact CD1-CD1 3.83Å
110	L	88.7	Confident	85.5	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-45.4	177.9	-175.2	154.7	0	0	0	111.9	V106 V108 L112 S113 C114 L223 W224	V106-L110 WeakPolarHBondContact O-CB 3.4Å; V106-L110 PolarHBondContact O-N 3.06Å; V108-L110 VanDerWaalsContact C-N 3.3Å; V108-L110 PolarHBondContact O-N 3.14Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.42Å; L110-S113 PolarHBondContact O-N 3.46Å; L110-C114 WeakPolarHBondContact O-CB 3.46Å; L110-C114 PolarHBondContact O-N 2.85Å; L110-C114 PolarHBondContact O-SG 2.8Å; L110-L223 HydrophobicContact CD1-CB 4.29Å; L110-W224 HydrophobicContact CD1-CB 4.35Å; L110-W224 HydrophobicContact CD1-CD2 3.91Å; L110-W224 HydrophobicContact CD1-CG 3.68Å; L110-W224 HydrophobicContact CG-CD2 4.19Å; L110-W224 HydrophobicContact CG-CG 4.38Å
111	I	86.3	Confident	86.4	Confident	50 Å²	50	41 Å²	41	26%	0.256	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-42.5	176.2	-68	168.1	0	0	0	110.6	L107 V108 C114 L115	L107-I111 HydrophobicContact CD2-CD1 3.75Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.44Å; L107-I111 VanDerWaalsContact O-N 3.1Å; V108-I111 PolarHBondContact O-N 3.39Å; I111-C114 PolarHBondContact O-N 3.08Å; I111-L115 WeakPolarHBondContact O-CG 3.39Å; I111-L115 PolarHBondContact O-N 3.3Å
112	L	87.3	Confident	86.9	Confident	94 Å²	94	40.7 Å²	40.7	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-41	-179.9	-171	65	0	0	0	112.1	V108 L109 L110 L115 G116 L157	V108-L112 PolarHBondContact O-N 2.78Å; L109-L112 PolarHBondContact O-N 3.09Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-G116 PolarHBondContact O-N 3.26Å; L112-L157 HydrophobicContact CB-CD1 4.18Å; L112-L157 HydrophobicContact CD2-CD1 3.6Å; L112-L157 HydrophobicContact CD2-CD2 4.11Å; L112-L157 HydrophobicContact CG-CD1 3.64Å
113	S	90.1	Very high	87.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43.3	174.9	120.9	0	0	0	0	111.3	L109 L110 L115 G116 E117 E158	L109-S113 WeakPolarHBondContact O-CB 3.39Å; L109-S113 PolarHBondContact O-N 3.34Å; L110-S113 PolarHBondContact O-N 3.46Å; S113-L115 PolarHBondContact O-N 3.44Å; S113-G116 CarbonylContact O-C 3.53Å; S113-G116 WeakPolarHBondContact O-CA 3.42Å; S113-G116 PolarHBondContact O-N 3.05Å; S113-E117 PolarHBondContact O-N 3.09Å; S113-E158 VanDerWaalsContact CB-CG 3.48Å; S113-E158 WeakPolarHBondContact OG-CG 3.39Å; S113-E158 PolarHBondContact OG-OE1 3.46Å
114	C	87.7	Confident	87.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-42	178.5	-76.1	0	0	0	0	111	L110 I111 G116 E117 M118 C231	L110-C114 WeakPolarHBondContact O-CB 3.46Å; L110-C114 PolarHBondContact O-N 2.85Å; L110-C114 PolarHBondContact O-SG 2.8Å; I111-C114 PolarHBondContact O-N 3.08Å; C114-G116 VanDerWaalsContact C-N 3.29Å; C114-G116 PolarHBondContact O-N 3.11Å; C114-E117 PolarHBondContact O-N 3.22Å; C114-M118 WeakPolarHBondContact O-CG 3.38Å; C114-M118 PolarHBondContact O-N 2.98Å; C114-C231 HydrophobicContact CB-CB 4.43Å
115	L	84.3	Confident	87.5	Confident	82 Å²	82	33.5 Å²	33.5	43%	0.429	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-37.2	176.1	-72.2	165.3	0	0	0	112.5	I111 L112 S113 F235	I111-L115 WeakPolarHBondContact O-CG 3.39Å; I111-L115 PolarHBondContact O-N 3.3Å; L112-L115 PolarHBondContact O-N 2.98Å; S113-L115 PolarHBondContact O-N 3.44Å; L115-F235 HydrophobicContact CD2-CE2 4.16Å; L115-F235 HydrophobicContact CD2-CZ 4.42Å
116	G	85.9	Confident	87.4	Confident	6 Å²	6	35.7 Å²	35.7	6%	0.062	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-41.8	175.7	0	0	0	0	0	113.2	L112 S113 C114 M118 A119	L112-G116 PolarHBondContact O-N 3.26Å; S113-G116 CarbonylContact O-C 3.53Å; S113-G116 WeakPolarHBondContact O-CA 3.42Å; S113-G116 PolarHBondContact O-N 3.05Å; C114-G116 VanDerWaalsContact C-N 3.29Å; C114-G116 PolarHBondContact O-N 3.11Å; G116-M118 VanDerWaalsContact C-N 3.27Å; G116-M118 PolarHBondContact O-N 3.49Å; G116-A119 WeakPolarHBondContact O-CB 3.47Å; G116-A119 PolarHBondContact O-N 3.12Å; G116-A119 VanDerWaalsContact O-N 3.1Å
117	E	84.8	Confident	87.2	Confident	31 Å²	31	36.9 Å²	36.9	15%	0.145	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-39.1	173.5	-68.2	-165.3	112.9	0	0	111.7	S113 C114 A119 I120 E158 R228	S113-E117 PolarHBondContact O-N 3.09Å; C114-E117 PolarHBondContact O-N 3.22Å; E117-A119 PolarHBondContact O-N 3.48Å; E117-I120 PolarHBondContact O-N 3.42Å; E117-E158 WeakPolarHBondContact CG-OE1 3.48Å; E117-R228 VanDerWaalsContact CD-NH1 3.29Å; E117-R228 IonicContact OE1-CZ 2.84Å; E117-R228 IonicContact OE1-NH1 3.28Å; E117-R228 PolarHBondContact OE1-NH1 2.73Å; E117-R228 IonicContact OE2-CZ 3.04Å; E117-R228 IonicContact OE2-NE 2.69Å; E117-R228 IonicContact OE2-NH1 3.21Å; E117-R228 PolarHBondContact OE2-NH1 2.99Å
118	M	84.5	Confident	87.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.6	179.2	-67.5	-42.2	106	0	0	113.5	C114 G116 I120 P121 R228 C231 L232 F235 Y366	C114-M118 WeakPolarHBondContact O-CG 3.38Å; C114-M118 PolarHBondContact O-N 2.98Å; G116-M118 VanDerWaalsContact C-N 3.27Å; G116-M118 PolarHBondContact O-N 3.49Å; M118-I120 VanDerWaalsContact C-N 3.33Å; M118-P121 WeakPolarHBondContact O-CD 3.41Å; M118-R228 HydrophobicContact CE-CG 3.89Å; M118-C231 HydrophobicContact CG-CB 4.28Å; M118-L232 HydrophobicContact CE-CD2 4.18Å; M118-L232 HydrophobicContact CE-CG 4.17Å; M118-L232 HydrophobicContact SD-CD1 4.44Å; M118-L232 HydrophobicContact SD-CD2 3.16Å; M118-L232 WeakPolarHBondContact SD-CD2 3.3Å; M118-L232 HydrophobicContact SD-CG 3.46Å; M118-L232 WeakPolarHBondContact SD-CG 3.46Å; M118-F235 HydrophobicContact CB-CD2 3.87Å; M118-F235 HydrophobicContact CB-CE2 3.68Å; M118-F235 HydrophobicContact CB-CZ 4.24Å; M118-F235 HydrophobicContact CG-CD2 3.97Å; M118-F235 HydrophobicContact CG-CE2 4.05Å; M118-Y366 HydrophobicContact CB-CE1 4.25Å; M118-Y366 WeakPolarHBondContact O-CE1 3.29Å; M118-Y366 PolarHBondContact O-OH 2.76Å; M118-Y366 HydrophobicContact SD-CD1 4.33Å; M118-Y366 HydrophobicContact SD-CE1 4.15Å
119	A	86.2	Confident	87	Confident	11 Å²	11	34 Å²	34	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-69.5	-30.7	174.9	0	0	0	0	0	112.2	G116 E117 F122 F123 L150	G116-A119 WeakPolarHBondContact O-CB 3.47Å; G116-A119 PolarHBondContact O-N 3.12Å; G116-A119 VanDerWaalsContact O-N 3.1Å; E117-A119 PolarHBondContact O-N 3.48Å; A119-F122 PolarHBondContact O-N 2.93Å; A119-F123 HydrophobicContact CB-CD2 3.95Å; A119-F123 HydrophobicContact CB-CE2 3.92Å; A119-F123 WeakPolarHBondContact O-CD2 3.32Å; A119-F123 PolarHBondContact O-N 2.83Å; A119-L150 HydrophobicContact CB-CB 4.2Å; A119-L150 HydrophobicContact CB-CD1 4.06Å
120	I	88.7	Confident	86.6	Confident	62 Å²	62	35.1 Å²	35.1	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-59	-53.7	-175.4	-62.9	164.4	0	0	0	111.9	E117 M118 F122 F123 T124 M147 T151	E117-I120 PolarHBondContact O-N 3.42Å; M118-I120 VanDerWaalsContact C-N 3.33Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3.36Å; I120-F123 PolarHBondContact O-N 2.98Å; I120-T124 WeakPolarHBondContact O-CB 3.3Å; I120-T124 PolarHBondContact O-N 2.92Å; I120-T124 PolarHBondContact O-OG1 2.93Å; I120-M147 HydrophobicContact CB-CE 4.45Å; I120-M147 HydrophobicContact CG1-CE 4.27Å; I120-M147 HydrophobicContact CG2-CE 3.91Å; I120-T151 HydrophobicContact CD1-CG2 3.67Å; I120-T151 HydrophobicContact CG1-CG2 3.47Å; I120-T151 VanDerWaalsContact CG1-CG2 3.47Å
121	P	90.1	Very high	86.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-34.9	179.4	-24.6	37.4	0	0	0	113.2	M118 T124 G125 S362 L365 Y366	M118-P121 WeakPolarHBondContact O-CD 3.41Å; P121-T124 PolarHBondContact O-N 3.29Å; P121-G125 PolarHBondContact O-N 3.39Å; P121-G125 VanDerWaalsContact O-N 3.08Å; P121-S362 WeakPolarHBondContact O-CB 3.17Å; P121-S362 PolarHBondContact O-OG 3.2Å; P121-L365 HydrophobicContact CB-CB 3.77Å; P121-L365 HydrophobicContact CB-CD1 4.19Å; P121-L365 HydrophobicContact CG-CB 4.17Å; P121-Y366 HydrophobicContact CB-CD1 3.75Å; P121-Y366 HydrophobicContact CB-CD2 4.32Å; P121-Y366 HydrophobicContact CB-CE1 3.52Å; P121-Y366 HydrophobicContact CB-CE2 4.09Å; P121-Y366 HydrophobicContact CB-CG 4.16Å; P121-Y366 HydrophobicContact CG-CD1 3.73Å; P121-Y366 HydrophobicContact CG-CE1 3.55Å
122	F	88.1	Confident	85.8	Confident	50 Å²	50	43.3 Å²	43.3	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-50.5	177.4	-179.6	-100.8	0	0	0	111.8	A119 I120 T124 G125 R126 W238 Y366	A119-F122 PolarHBondContact O-N 2.93Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3.36Å; F122-T124 VanDerWaalsContact C-N 3.31Å; F122-T124 PolarHBondContact O-N 3.24Å; F122-G125 PolarHBondContact O-N 3.32Å; F122-R126 HydrophobicContact CE1-CG 4.34Å; F122-R126 HydrophobicContact CZ-CG 4.46Å; F122-R126 PolarHBondContact O-N 2.78Å; F122-W238 HydrophobicContact CD2-CZ3 4.08Å; F122-W238 AromaticContact CE2-CH2 3.77Å; F122-W238 HydrophobicContact CE2-CH2 3.77Å; F122-W238 AromaticContact CE2-CZ3 3.77Å; F122-W238 HydrophobicContact CE2-CZ3 3.77Å; F122-W238 HydrophobicContact CZ-CH2 4.24Å; F122-Y366 WeakPolarHBondContact CB-OH 3.24Å; F122-Y366 PolarHBondContact N-OH 3.3Å
123	F	88.6	Confident	85.2	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-33.6	178.9	-76.1	-65.9	0	0	0	112.1	A119 I120 R126 I127 N143 L146 M147 L150	A119-F123 HydrophobicContact CB-CD2 3.95Å; A119-F123 HydrophobicContact CB-CE2 3.92Å; A119-F123 WeakPolarHBondContact O-CD2 3.32Å; A119-F123 PolarHBondContact O-N 2.83Å; I120-F123 PolarHBondContact O-N 2.98Å; F123-R126 PolarHBondContact O-N 3.29Å; F123-I127 WeakPolarHBondContact O-CB 3.42Å; F123-I127 WeakPolarHBondContact O-CD1 3.36Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 3.02Å; F123-N143 HydrophobicContact CD1-CB 4.17Å; F123-N143 HydrophobicContact CE1-CB 4.46Å; F123-L146 HydrophobicContact CE1-CB 4.26Å; F123-L146 HydrophobicContact CZ-CB 3.91Å; F123-M147 HydrophobicContact CB-CB 4.18Å; F123-M147 HydrophobicContact CB-CG 4.35Å; F123-M147 HydrophobicContact CB-SD 4.15Å; F123-M147 HydrophobicContact CD2-CB 4.01Å; F123-M147 HydrophobicContact CD2-CG 4.49Å; F123-M147 HydrophobicContact CG-CB 4.12Å; F123-L150 HydrophobicContact CE2-CD1 3.67Å; F123-L150 HydrophobicContact CZ-CD1 4.21Å
124	T	88.8	Confident	84	Confident	42 Å²	42	50.3 Å²	50.3	26%	0.258	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-41.4	175.5	-58.4	0	0	0	0	111.8	I120 P121 F122 I127 T128 V361 L365	I120-T124 WeakPolarHBondContact O-CB 3.3Å; I120-T124 PolarHBondContact O-N 2.92Å; I120-T124 PolarHBondContact O-OG1 2.93Å; P121-T124 PolarHBondContact O-N 3.29Å; F122-T124 VanDerWaalsContact C-N 3.31Å; F122-T124 PolarHBondContact O-N 3.24Å; T124-I127 PolarHBondContact O-N 3.46Å; T124-T128 PolarHBondContact O-N 2.6Å; T124-T128 PolarHBondContact O-OG1 2.88Å; T124-V361 HydrophobicContact CG2-CG1 4.16Å; T124-L365 HydrophobicContact CG2-CD1 3.91Å
125	G	86.8	Confident	82.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-47	173.3	0	0	0	0	0	112.6	P121 F122 I127 T128 D129 G358 S362	P121-G125 PolarHBondContact O-N 3.39Å; P121-G125 VanDerWaalsContact O-N 3.08Å; F122-G125 PolarHBondContact O-N 3.32Å; G125-I127 VanDerWaalsContact C-N 3.31Å; G125-I127 PolarHBondContact O-N 3.45Å; G125-T128 WeakPolarHBondContact O-CB 3.22Å; G125-T128 PolarHBondContact O-N 3.43Å; G125-D129 PolarHBondContact O-N 2.87Å; G125-G358 WeakPolarHBondContact CA-O 3.49Å; G125-G358 VanDerWaalsContact O-CA 3.23Å; G125-G358 WeakPolarHBondContact O-CA 3.33Å; G125-S362 VanDerWaalsContact CA-OG 3.26Å; G125-S362 WeakPolarHBondContact CA-OG 3.26Å; G125-S362 PolarHBondContact N-OG 3.49Å
126	R	84.7	Confident	82.1	Confident	131 Å²	131	60 Å²	60	49%	0.494	29%	0.294	S	S	.	.	H	α-helix	trans	-56.9	-41.6	174.6	-93.3	-104.7	170.5	89.6	-4.3	112.9	F122 F123 T128 W130	F122-R126 HydrophobicContact CE1-CG 4.34Å; F122-R126 HydrophobicContact CZ-CG 4.46Å; F122-R126 PolarHBondContact O-N 2.78Å; F123-R126 PolarHBondContact O-N 3.29Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-W130 VanDerWaalsContact O-CB 3.27Å; R126-W130 WeakPolarHBondContact O-CB 3.47Å; R126-W130 PolarHBondContact O-N 3.11Å
127	I	86.1	Confident	81.4	Confident	31 Å²	31	63.1 Å²	63.1	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-39	176	-72.5	165.3	0	0	0	110.6	F123 T124 G125 W130 I131 F140	F123-I127 WeakPolarHBondContact O-CB 3.42Å; F123-I127 WeakPolarHBondContact O-CD1 3.36Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 3.02Å; T124-I127 PolarHBondContact O-N 3.46Å; G125-I127 VanDerWaalsContact C-N 3.31Å; G125-I127 PolarHBondContact O-N 3.45Å; I127-W130 PolarHBondContact O-N 3.04Å; I127-I131 HydrophobicContact CG2-CD1 3.83Å; I127-I131 HydrophobicContact CG2-CG1 4.35Å; I127-I131 VanDerWaalsContact O-CG1 3.3Å; I127-I131 WeakPolarHBondContact O-CG1 3.35Å; I127-I131 PolarHBondContact O-N 2.97Å; I127-F140 HydrophobicContact CG1-CE2 4.36Å; I127-F140 HydrophobicContact CG2-CE2 3.87Å
128	T	85.6	Confident	80.9	Confident	39 Å²	39	66.3 Å²	66.3	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-46.5	178.4	-54.5	0	0	0	0	111.5	T124 G125 R126 W130 I131 L132 V361	T124-T128 PolarHBondContact O-N 2.6Å; T124-T128 PolarHBondContact O-OG1 2.88Å; G125-T128 WeakPolarHBondContact O-CB 3.22Å; G125-T128 PolarHBondContact O-N 3.43Å; R126-T128 VanDerWaalsContact C-N 3.34Å; T128-W130 VanDerWaalsContact C-N 3.3Å; T128-W130 PolarHBondContact O-N 3.29Å; T128-I131 PolarHBondContact O-N 3.23Å; T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 WeakPolarHBondContact O-CD1 3.29Å; T128-L132 VanDerWaalsContact O-CG 3.31Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 2.96Å; T128-V361 HydrophobicContact CG2-CG2 4.21Å
129	D	83.2	Confident	80.5	Confident	27 Å²	27	68 Å²	68	14%	0.144	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-38.7	174.7	-79.9	-23.1	0	0	0	111.5	G125 L132 Q133 S356 S357 G358	G125-D129 PolarHBondContact O-N 2.87Å; D129-L132 PolarHBondContact O-N 2.94Å; D129-Q133 WeakPolarHBondContact O-CB 3.35Å; D129-Q133 PolarHBondContact O-N 3.2Å; D129-S356 VanDerWaalsContact OD2-CB 3.32Å; D129-S356 WeakPolarHBondContact OD2-CB 3.34Å; D129-S356 PolarHBondContact OD2-OG 2.96Å; D129-S357 PolarHBondContact OD1-OG 3.32Å; D129-G358 VanDerWaalsContact CG-CA 3.46Å; D129-G358 VanDerWaalsContact CG-N 3.28Å; D129-G358 WeakPolarHBondContact OD1-CA 3.48Å; D129-G358 PolarHBondContact OD1-N 2.9Å; D129-G358 WeakPolarHBondContact OD2-CA 3.49Å; D129-G358 PolarHBondContact OD2-N 3.49Å
130	W	81.6	Confident	80.2	Confident	50 Å²	50	70.5 Å²	70.5	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-47.1	176.3	-176.5	83.1	0	0	0	112.3	R126 I127 T128 L132 Q133 D134 T136 F140	R126-W130 VanDerWaalsContact O-CB 3.27Å; R126-W130 WeakPolarHBondContact O-CB 3.47Å; R126-W130 PolarHBondContact O-N 3.11Å; I127-W130 PolarHBondContact O-N 3.04Å; T128-W130 VanDerWaalsContact C-N 3.3Å; T128-W130 PolarHBondContact O-N 3.29Å; W130-L132 PolarHBondContact O-N 2.96Å; W130-Q133 PolarHBondContact O-N 3.5Å; W130-D134 HydrophobicContact CG-CB 4.35Å; W130-D134 WeakPolarHBondContact CZ2-O 3.35Å; W130-D134 PolarHBondContact NE1-O 3.1Å; W130-D134 CarbonylContact O-C 3.58Å; W130-D134 PolarHBondContact O-N 3.23Å; W130-T136 WeakPolarHBondContact CZ2-O 3.46Å; W130-T136 PolarHBondContact NE1-O 3.38Å; W130-F140 HydrophobicContact CD2-CB 4.17Å; W130-F140 HydrophobicContact CD2-CD2 4.14Å; W130-F140 HydrophobicContact CE3-CB 4.18Å; W130-F140 AromaticContact CE3-CD2 3.49Å; W130-F140 HydrophobicContact CE3-CD2 3.49Å; W130-F140 VanDerWaalsContact CE3-CD2 3.49Å; W130-F140 HydrophobicContact CE3-CE2 4.26Å; W130-F140 HydrophobicContact CE3-CG 4.16Å; W130-F140 HydrophobicContact CH2-CB 3.75Å; W130-F140 HydrophobicContact CH2-CD2 4.14Å; W130-F140 HydrophobicContact CH2-CG 4.02Å; W130-F140 HydrophobicContact CZ2-CB 3.73Å; W130-F140 HydrophobicContact CZ2-CG 4.47Å; W130-F140 HydrophobicContact CZ3-CB 3.97Å; W130-F140 AromaticContact CZ3-CD2 3.48Å; W130-F140 HydrophobicContact CZ3-CD2 3.48Å; W130-F140 VanDerWaalsContact CZ3-CD2 3.48Å; W130-F140 HydrophobicContact CZ3-CE2 4.16Å; W130-F140 AromaticContact CZ3-CG 3.84Å; W130-F140 HydrophobicContact CZ3-CG 3.84Å
131	I	81.9	Confident	80	Confident	120 Å²	120	69.4 Å²	69.4	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-58.2	-33.9	176.7	-70	167.2	0	0	0	111.5	I127 T128	I127-I131 HydrophobicContact CG2-CD1 3.83Å; I127-I131 HydrophobicContact CG2-CG1 4.35Å; I127-I131 VanDerWaalsContact O-CG1 3.3Å; I127-I131 WeakPolarHBondContact O-CG1 3.35Å; I127-I131 PolarHBondContact O-N 2.97Å; T128-I131 PolarHBondContact O-N 3.23Å
132	L	77.4	Confident	79.7	Confident	113 Å²	113	76.8 Å²	76.8	59%	0.592	39%	0.392	S	S	*	.	H	α-helix	trans	-84.8	-26.5	-176.6	-68.7	167.6	0	0	0	113.7	T128 D129 W130 S357	T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 WeakPolarHBondContact O-CD1 3.29Å; T128-L132 VanDerWaalsContact O-CG 3.31Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 2.96Å; D129-L132 PolarHBondContact O-N 2.94Å; W130-L132 PolarHBondContact O-N 2.96Å; L132-S357 VanDerWaalsContact CD1-OG 3.27Å; L132-S357 WeakPolarHBondContact CD1-OG 3.41Å
133	Q	74.6	Confident	79.5	Confident	144 Å²	144	75.5 Å²	75.5	67%	0.673	39%	0.387	S	S	*	.	H	α-helix	trans	-124.8	-33.8	-170.1	-63.7	-176.3	-5.8	0	0	115.5	D129 W130	D129-Q133 WeakPolarHBondContact O-CB 3.35Å; D129-Q133 PolarHBondContact O-N 3.2Å; W130-Q133 PolarHBondContact O-N 3.5Å
134	D	64.3	Low	79.3	Confident	97 Å²	97	78.7 Å²	78.7	52%	0.519	40%	0.403	S	S	.	.			trans	-126.4	123.9	-168.2	-84.2	-30.9	0	0	0	113.1	W130	W130-D134 HydrophobicContact CG-CB 4.35Å; W130-D134 WeakPolarHBondContact CZ2-O 3.35Å; W130-D134 PolarHBondContact NE1-O 3.1Å; W130-D134 CarbonylContact O-C 3.58Å; W130-D134 PolarHBondContact O-N 3.23Å
135	K	62.8	Low	79.3	Confident	212 Å²	212	84.9 Å²	84.9	92%	0.922	42%	0.422	S	S	*	.			trans	-96	22.6	-178.7	-65.4	-174.5	179.7	178.9	0	115
136	T	69.6	Low	79.3	Confident	73 Å²	73	88.5 Å²	88.5	45%	0.448	44%	0.441	S	S	.	.			trans	-92.1	106.4	-175.3	61.4	0	0	0	0	113.6	W130 S139	W130-T136 WeakPolarHBondContact CZ2-O 3.46Å; W130-T136 PolarHBondContact NE1-O 3.38Å; T136-S139 PolarHBondContact O-N 3.01Å
137	A	70.6	Confident	79.4	Confident	72 Å²	72	84.4 Å²	84.4	60%	0.595	43%	0.428	S	S	*	.	H	α-helix	trans	-51.3	-38.2	-178.7	0	0	0	0	0	117.6	S139 F140 A141	A137-S139 PolarHBondContact O-N 2.79Å; A137-F140 PolarHBondContact O-N 3.03Å; A137-A141 PolarHBondContact O-N 3.4Å
138	P	75.7	Confident	79.6	Confident	98 Å²	98	85.8 Å²	85.8	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-71.5	-31.5	-173.7	25.1	-33.7	0	0	0	114.1	R142	P138-R142 PolarHBondContact O-N 3.43Å
139	S	75.1	Confident	79.9	Confident	37 Å²	37	88.9 Å²	88.9	26%	0.259	45%	0.454	S	S	.	.	H	α-helix	trans	-69.7	-34.2	178.1	-65.9	0	0	0	0	112.3	T136 A137 N143	T136-S139 PolarHBondContact O-N 3.01Å; A137-S139 PolarHBondContact O-N 2.79Å; S139-N143 PolarHBondContact O-N 3.14Å; S139-N143 VanDerWaalsContact O-N 3.16Å; S139-N143 PolarHBondContact O-ND2 3.27Å
140	F	80.4	Confident	80.2	Confident	63 Å²	63	90.6 Å²	90.6	28%	0.276	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-50.4	175.7	178.8	-97.5	0	0	0	111.6	I127 W130 A137 R142 N143 M144	I127-F140 HydrophobicContact CG1-CE2 4.36Å; I127-F140 HydrophobicContact CG2-CE2 3.87Å; W130-F140 HydrophobicContact CD2-CB 4.17Å; W130-F140 HydrophobicContact CD2-CD2 4.14Å; W130-F140 HydrophobicContact CE3-CB 4.18Å; W130-F140 AromaticContact CE3-CD2 3.49Å; W130-F140 HydrophobicContact CE3-CD2 3.49Å; W130-F140 VanDerWaalsContact CE3-CD2 3.49Å; W130-F140 HydrophobicContact CE3-CE2 4.26Å; W130-F140 HydrophobicContact CE3-CG 4.16Å; W130-F140 HydrophobicContact CH2-CB 3.75Å; W130-F140 HydrophobicContact CH2-CD2 4.14Å; W130-F140 HydrophobicContact CH2-CG 4.02Å; W130-F140 HydrophobicContact CZ2-CB 3.73Å; W130-F140 HydrophobicContact CZ2-CG 4.47Å; W130-F140 HydrophobicContact CZ3-CB 3.97Å; W130-F140 AromaticContact CZ3-CD2 3.48Å; W130-F140 HydrophobicContact CZ3-CD2 3.48Å; W130-F140 VanDerWaalsContact CZ3-CD2 3.48Å; W130-F140 HydrophobicContact CZ3-CE2 4.16Å; W130-F140 AromaticContact CZ3-CG 3.84Å; W130-F140 HydrophobicContact CZ3-CG 3.84Å; A137-F140 PolarHBondContact O-N 3.03Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 2.79Å; F140-N143 PolarHBondContact O-N 2.83Å; F140-M144 HydrophobicContact CE1-CE 4.31Å; F140-M144 HydrophobicContact CE1-SD 4.03Å; F140-M144 HydrophobicContact CZ-SD 4.29Å; F140-M144 WeakPolarHBondContact O-CB 3.43Å; F140-M144 PolarHBondContact O-N 3.37Å
141	A	83.5	Confident	80.6	Confident	38 Å²	38	89.8 Å²	89.8	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-58.3	-42.7	178.2	0	0	0	0	0	111.7	A137 M144 W145	A137-A141 PolarHBondContact O-N 3.4Å; A141-M144 PolarHBondContact O-N 3.12Å; A141-W145 WeakPolarHBondContact O-CB 3.23Å; A141-W145 PolarHBondContact O-N 2.96Å
142	R	84.1	Confident	81.1	Confident	157 Å²	157	88.9 Å²	88.9	59%	0.592	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-45.9	177	-175.6	176.9	64.1	-166.9	-2.9	112.7	P138 F140 M144 W145 L146	P138-R142 PolarHBondContact O-N 3.43Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 2.79Å; R142-M144 VanDerWaalsContact C-N 3.34Å; R142-W145 PolarHBondContact O-N 3.01Å; R142-L146 HydrophobicContact CG-CD1 4.21Å; R142-L146 WeakPolarHBondContact O-CB 3.47Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.47Å; R142-L146 PolarHBondContact O-N 3.33Å
143	N	84.1	Confident	81.8	Confident	22 Å²	22	85.6 Å²	85.6	12%	0.118	45%	0.452	C	S	.	.	H	α-helix	trans	-65.7	-38.1	179	-72.8	-25.4	0	0	0	111.9	F123 S139 F140 M147	F123-N143 HydrophobicContact CD1-CB 4.17Å; F123-N143 HydrophobicContact CE1-CB 4.46Å; S139-N143 PolarHBondContact O-N 3.14Å; S139-N143 VanDerWaalsContact O-N 3.16Å; S139-N143 PolarHBondContact O-ND2 3.27Å; F140-N143 PolarHBondContact O-N 2.83Å; N143-M147 WeakPolarHBondContact O-CB 3.4Å; N143-M147 PolarHBondContact O-N 3.39Å
144	M	85	Confident	82.6	Confident	87 Å²	87	79 Å²	79	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-43	176.8	-168	169.6	67.2	0	0	111.9	F140 A141 R142 M147 C148	F140-M144 HydrophobicContact CE1-CE 4.31Å; F140-M144 HydrophobicContact CE1-SD 4.03Å; F140-M144 HydrophobicContact CZ-SD 4.29Å; F140-M144 WeakPolarHBondContact O-CB 3.43Å; F140-M144 PolarHBondContact O-N 3.37Å; A141-M144 PolarHBondContact O-N 3.12Å; R142-M144 VanDerWaalsContact C-N 3.34Å; M144-M147 PolarHBondContact O-N 3.13Å; M144-C148 PolarHBondContact O-N 3.24Å; M144-C148 PolarHBondContact O-SG 3.06Å; M144-C148 VanDerWaalsContact O-SG 3.37Å
145	W	88.6	Confident	83.9	Confident	172 Å²	172	78.5 Å²	78.5	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-43.1	174.3	-84.6	113	0	0	0	112.7	A141 R142 M147 C148 I149	A141-W145 WeakPolarHBondContact O-CB 3.23Å; A141-W145 PolarHBondContact O-N 2.96Å; R142-W145 PolarHBondContact O-N 3.01Å; W145-M147 VanDerWaalsContact C-N 3.35Å; W145-M147 PolarHBondContact O-N 2.88Å; W145-C148 PolarHBondContact O-N 2.91Å; W145-I149 VanDerWaalsContact O-CG1 3.29Å; W145-I149 WeakPolarHBondContact O-CG1 3.39Å; W145-I149 PolarHBondContact O-N 3.42Å
146	L	87.3	Confident	85.3	Confident	75 Å²	75	71.2 Å²	71.2	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.7	-74.2	172.4	0	0	0	111.6	F123 R142 I149 L150	F123-L146 HydrophobicContact CE1-CB 4.26Å; F123-L146 HydrophobicContact CZ-CB 3.91Å; R142-L146 HydrophobicContact CG-CD1 4.21Å; R142-L146 WeakPolarHBondContact O-CB 3.47Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.47Å; R142-L146 PolarHBondContact O-N 3.33Å; L146-I149 PolarHBondContact O-N 3.38Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 WeakPolarHBondContact O-CD1 3.2Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.34Å
147	M	86.9	Confident	86.4	Confident	46 Å²	46	69.9 Å²	69.9	23%	0.227	39%	0.392	C	S	.	.	H	α-helix	trans	-57.9	-51.1	174.2	179	178.8	165.2	0	0	111	I120 F123 N143 M144 W145 I149 L150 T151	I120-M147 HydrophobicContact CB-CE 4.45Å; I120-M147 HydrophobicContact CG1-CE 4.27Å; I120-M147 HydrophobicContact CG2-CE 3.91Å; F123-M147 HydrophobicContact CB-CB 4.18Å; F123-M147 HydrophobicContact CB-CG 4.35Å; F123-M147 HydrophobicContact CB-SD 4.15Å; F123-M147 HydrophobicContact CD2-CB 4.01Å; F123-M147 HydrophobicContact CD2-CG 4.49Å; F123-M147 HydrophobicContact CG-CB 4.12Å; N143-M147 WeakPolarHBondContact O-CB 3.4Å; N143-M147 PolarHBondContact O-N 3.39Å; M144-M147 PolarHBondContact O-N 3.13Å; W145-M147 VanDerWaalsContact C-N 3.35Å; W145-M147 PolarHBondContact O-N 2.88Å; M147-I149 PolarHBondContact O-N 2.85Å; M147-L150 PolarHBondContact O-N 3.38Å; M147-T151 WeakPolarHBondContact O-CG2 3.37Å; M147-T151 PolarHBondContact O-N 3.39Å; M147-T151 PolarHBondContact O-OG1 3.17Å; M147-T151 VanDerWaalsContact O-OG1 3.08Å
148	C	89.4	Confident	87.4	Confident	60 Å²	60	68.2 Å²	68.2	41%	0.405	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-48.4	178.6	-71.5	0	0	0	0	112.3	M144 W145 L150 T151 V152	M144-C148 PolarHBondContact O-N 3.24Å; M144-C148 PolarHBondContact O-SG 3.06Å; M144-C148 VanDerWaalsContact O-SG 3.37Å; W145-C148 PolarHBondContact O-N 2.91Å; C148-L150 PolarHBondContact O-N 3.1Å; C148-T151 WeakPolarHBondContact CA-OG1 3.45Å; C148-T151 PolarHBondContact O-N 3.34Å; C148-T151 PolarHBondContact O-OG1 3.09Å; C148-V152 WeakPolarHBondContact O-CG2 3.39Å; C148-V152 PolarHBondContact O-N 3.29Å
149	I	91.8	Very high	88.2	Confident	104 Å²	104	71.8 Å²	71.8	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-45.6	-179.7	-68.4	165.8	0	0	0	110.7	W145 L146 M147 T151 V152 A153	W145-I149 VanDerWaalsContact O-CG1 3.29Å; W145-I149 WeakPolarHBondContact O-CG1 3.39Å; W145-I149 PolarHBondContact O-N 3.42Å; L146-I149 PolarHBondContact O-N 3.38Å; M147-I149 PolarHBondContact O-N 2.85Å; I149-T151 PolarHBondContact O-N 3.46Å; I149-V152 PolarHBondContact O-N 2.87Å; I149-A153 WeakPolarHBondContact O-CB 3.29Å; I149-A153 PolarHBondContact O-N 3.01Å
150	L	89.9	Confident	89.1	Confident	63 Å²	63	72 Å²	72	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-39.2	178.8	-82.7	154.8	0	0	0	112.2	A119 F123 L146 M147 C148 S154	A119-L150 HydrophobicContact CB-CB 4.2Å; A119-L150 HydrophobicContact CB-CD1 4.06Å; F123-L150 HydrophobicContact CE2-CD1 3.67Å; F123-L150 HydrophobicContact CZ-CD1 4.21Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 WeakPolarHBondContact O-CD1 3.2Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.34Å; M147-L150 PolarHBondContact O-N 3.38Å; C148-L150 PolarHBondContact O-N 3.1Å; L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 3.12Å; L150-S154 PolarHBondContact O-OG 3.15Å
151	T	89.3	Confident	89.6	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.202	37%	0.37	C	S	.	.	H	α-helix	trans	-70.3	-38.7	177.5	52.4	0	0	0	0	113.4	I120 M147 C148 I149 S154 T155	I120-T151 HydrophobicContact CD1-CG2 3.67Å; I120-T151 HydrophobicContact CG1-CG2 3.47Å; I120-T151 VanDerWaalsContact CG1-CG2 3.47Å; M147-T151 WeakPolarHBondContact O-CG2 3.37Å; M147-T151 PolarHBondContact O-N 3.39Å; M147-T151 PolarHBondContact O-OG1 3.17Å; M147-T151 VanDerWaalsContact O-OG1 3.08Å; C148-T151 WeakPolarHBondContact CA-OG1 3.45Å; C148-T151 PolarHBondContact O-N 3.34Å; C148-T151 PolarHBondContact O-OG1 3.09Å; I149-T151 PolarHBondContact O-N 3.46Å; T151-S154 PolarHBondContact O-OG 3.36Å; T151-T155 WeakPolarHBondContact O-CB 3.47Å; T151-T155 PolarHBondContact O-N 3.29Å; T151-T155 PolarHBondContact O-OG1 3.41Å
152	V	92.7	Very high	90	Very high	101 Å²	101	70 Å²	70	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-42.3	176.4	172.5	0	0	0	0	109.7	C148 I149 T155 A156	C148-V152 WeakPolarHBondContact O-CG2 3.39Å; C148-V152 PolarHBondContact O-N 3.29Å; I149-V152 PolarHBondContact O-N 2.87Å; V152-T155 PolarHBondContact O-N 2.8Å; V152-A156 WeakPolarHBondContact O-CB 3.46Å; V152-A156 PolarHBondContact O-N 2.7Å
153	A	92.2	Very high	90.3	Very high	44 Å²	44	64 Å²	64	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-43	176.1	0	0	0	0	0	112.1	I149 A156 L157	I149-A153 WeakPolarHBondContact O-CB 3.29Å; I149-A153 PolarHBondContact O-N 3.01Å; A153-A156 PolarHBondContact O-N 3.16Å; A153-L157 VanDerWaalsContact O-CG 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.42Å; A153-L157 PolarHBondContact O-N 3.19Å
154	S	91.4	Very high	90.7	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-50.9	176.6	68.9	0	0	0	0	110.6	L150 T151 A156 L157 E158	L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 3.12Å; L150-S154 PolarHBondContact O-OG 3.15Å; T151-S154 PolarHBondContact O-OG 3.36Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.02Å; S154-L157 WeakPolarHBondContact O-CB 3.45Å; S154-L157 PolarHBondContact O-N 3.45Å; S154-E158 VanDerWaalsContact O-CG 3.24Å; S154-E158 WeakPolarHBondContact O-CG 3.37Å; S154-E158 PolarHBondContact O-N 3.22Å
155	T	90.9	Very high	91	Very high	86 Å²	86	61.1 Å²	61.1	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-58.2	-37.8	179.6	-48.7	0	0	0	0	112.1	T151 V152 E158 F159	T151-T155 WeakPolarHBondContact O-CB 3.47Å; T151-T155 PolarHBondContact O-N 3.29Å; T151-T155 PolarHBondContact O-OG1 3.41Å; V152-T155 PolarHBondContact O-N 2.8Å; T155-E158 WeakPolarHBondContact O-CB 3.39Å; T155-E158 PolarHBondContact O-N 3.12Å; T155-F159 WeakPolarHBondContact O-CB 3.13Å; T155-F159 PolarHBondContact O-N 3.44Å
156	A	93.6	Very high	91.1	Very high	59 Å²	59	56.2 Å²	56.2	49%	0.488	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-40.6	175.9	0	0	0	0	0	112.8	V152 A153 S154 E158 F159 A160	V152-A156 WeakPolarHBondContact O-CB 3.46Å; V152-A156 PolarHBondContact O-N 2.7Å; A153-A156 PolarHBondContact O-N 3.16Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.02Å; A156-E158 VanDerWaalsContact C-N 3.33Å; A156-F159 PolarHBondContact O-N 3.47Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.89Å
157	L	92.2	Very high	91.2	Very high	44 Å²	44	57.3 Å²	57.3	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-37.2	175.3	-70	168.4	0	0	0	111.7	L109 L112 A153 S154 A160 G161	L109-L157 HydrophobicContact CD2-CD2 3.67Å; L112-L157 HydrophobicContact CB-CD1 4.18Å; L112-L157 HydrophobicContact CD2-CD1 3.6Å; L112-L157 HydrophobicContact CD2-CD2 4.11Å; L112-L157 HydrophobicContact CG-CD1 3.64Å; A153-L157 VanDerWaalsContact O-CG 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.42Å; A153-L157 PolarHBondContact O-N 3.19Å; S154-L157 WeakPolarHBondContact O-CB 3.45Å; S154-L157 PolarHBondContact O-N 3.45Å; L157-A160 PolarHBondContact O-N 3.4Å; L157-G161 PolarHBondContact O-N 2.74Å
158	E	90.7	Very high	91.3	Very high	37 Å²	37	55.2 Å²	55.2	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-50.4	174.9	-71.2	179.6	-166.2	0	0	111.4	S113 E117 S154 T155 A156 A160 G161 D162 W224	S113-E158 VanDerWaalsContact CB-CG 3.48Å; S113-E158 WeakPolarHBondContact OG-CG 3.39Å; S113-E158 PolarHBondContact OG-OE1 3.46Å; E117-E158 WeakPolarHBondContact CG-OE1 3.48Å; S154-E158 VanDerWaalsContact O-CG 3.24Å; S154-E158 WeakPolarHBondContact O-CG 3.37Å; S154-E158 PolarHBondContact O-N 3.22Å; T155-E158 WeakPolarHBondContact O-CB 3.39Å; T155-E158 PolarHBondContact O-N 3.12Å; A156-E158 VanDerWaalsContact C-N 3.33Å; E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.2Å; E158-G161 PolarHBondContact O-N 3.11Å; E158-D162 VanDerWaalsContact O-CB 3.31Å; E158-D162 WeakPolarHBondContact O-CB 3.28Å; E158-D162 PolarHBondContact O-N 3.14Å; E158-W224 HydrophobicContact CB-CH2 3.64Å; E158-W224 HydrophobicContact CB-CZ2 4.35Å; E158-W224 HydrophobicContact CG-CH2 3.3Å; E158-W224 HydrophobicContact CG-CZ2 4.32Å; E158-W224 HydrophobicContact CG-CZ3 3.82Å
159	F	93.2	Very high	91.3	Very high	173 Å²	173	52.8 Å²	52.8	76%	0.759	31%	0.307	S	S	*	.	H	α-helix	trans	-57.6	-44.1	176.5	-179.8	-100	0	0	0	111.6	T155 A156 G163	T155-F159 WeakPolarHBondContact O-CB 3.13Å; T155-F159 PolarHBondContact O-N 3.44Å; A156-F159 PolarHBondContact O-N 3.47Å; F159-G163 PolarHBondContact O-N 2.99Å
160	A	93.1	Very high	91.2	Very high	41 Å²	41	49.5 Å²	49.5	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.6	0	0	0	0	0	112.3	A156 L157 E158 G163 I164	A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.89Å; L157-A160 PolarHBondContact O-N 3.4Å; E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.2Å; A160-G163 PolarHBondContact O-N 2.96Å; A160-I164 WeakPolarHBondContact O-CD1 3.29Å; A160-I164 VanDerWaalsContact O-CG1 3.23Å; A160-I164 WeakPolarHBondContact O-CG1 3.49Å; A160-I164 PolarHBondContact O-N 2.8Å
161	G	91.6	Very high	91	Very high	5 Å²	5	51.5 Å²	51.5	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-46.5	179.2	0	0	0	0	0	112.3	L157 E158 I164 Y165	L157-G161 PolarHBondContact O-N 2.74Å; E158-G161 PolarHBondContact O-N 3.11Å; G161-I164 PolarHBondContact O-N 3.14Å; G161-Y165 WeakPolarHBondContact O-CB 3.33Å; G161-Y165 PolarHBondContact O-N 2.99Å
162	D	91.3	Very high	90.9	Very high	55 Å²	55	50.2 Å²	50.2	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-39.8	178.5	-165.9	59.9	0	0	0	111.4	E158 I164 Y165 N166 N220	E158-D162 VanDerWaalsContact O-CB 3.31Å; E158-D162 WeakPolarHBondContact O-CB 3.28Å; E158-D162 PolarHBondContact O-N 3.14Å; D162-I164 PolarHBondContact O-N 2.72Å; D162-Y165 PolarHBondContact O-N 2.96Å; D162-N166 VanDerWaalsContact CG-ND2 3.29Å; D162-N166 WeakPolarHBondContact O-CB 3.46Å; D162-N166 PolarHBondContact O-N 3.15Å; D162-N166 PolarHBondContact O-ND2 2.91Å; D162-N166 PolarHBondContact OD1-ND2 2.99Å; D162-N166 PolarHBondContact OD2-ND2 3.45Å; D162-N220 PolarHBondContact OD1-ND2 3.43Å; D162-N220 VanDerWaalsContact OD1-ND2 3.07Å
163	G	91.3	Very high	90.7	Very high	30 Å²	30	48.2 Å²	48.2	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-58.9	-46.8	172.4	0	0	0	0	0	112.8	F159 A160 Y165 I167	F159-G163 PolarHBondContact O-N 2.99Å; A160-G163 PolarHBondContact O-N 2.96Å; G163-Y165 VanDerWaalsContact C-N 3.33Å; G163-Y165 PolarHBondContact O-N 2.76Å; G163-I167 WeakPolarHBondContact O-CB 3.34Å; G163-I167 WeakPolarHBondContact O-CD1 3.47Å; G163-I167 VanDerWaalsContact O-CG1 3.24Å; G163-I167 WeakPolarHBondContact O-CG1 3.48Å; G163-I167 PolarHBondContact O-N 3.27Å
164	I	91.6	Very high	90.5	Very high	46 Å²	46	50 Å²	50	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38.5	177.3	-65.4	162.6	0	0	0	111.1	R102 L105 V106 L109 A160 G161 D162 T168	R102-I164 HydrophobicContact CB-CG2 4.24Å; L105-I164 HydrophobicContact CD2-CD1 3.9Å; L105-I164 HydrophobicContact CG-CD1 4.47Å; V106-I164 HydrophobicContact CG2-CB 3.94Å; V106-I164 HydrophobicContact CG2-CG2 3.62Å; L109-I164 HydrophobicContact CD1-CD1 3.83Å; A160-I164 WeakPolarHBondContact O-CD1 3.29Å; A160-I164 VanDerWaalsContact O-CG1 3.23Å; A160-I164 WeakPolarHBondContact O-CG1 3.49Å; A160-I164 PolarHBondContact O-N 2.8Å; G161-I164 PolarHBondContact O-N 3.14Å; D162-I164 PolarHBondContact O-N 2.72Å; I164-T168 WeakPolarHBondContact O-CB 3.16Å; I164-T168 PolarHBondContact O-N 3.13Å; I164-T168 PolarHBondContact O-OG1 3.03Å
165	Y	91.4	Very high	90.3	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-55	176.8	-178.6	-93.9	0	0	0	111.2	V106 G161 D162 G163 I167 T168 M169 S216 N220	V106-Y165 HydrophobicContact CG1-CD2 4.27Å; G161-Y165 WeakPolarHBondContact O-CB 3.33Å; G161-Y165 PolarHBondContact O-N 2.99Å; D162-Y165 PolarHBondContact O-N 2.96Å; G163-Y165 VanDerWaalsContact C-N 3.33Å; G163-Y165 PolarHBondContact O-N 2.76Å; Y165-I167 VanDerWaalsContact C-N 3.35Å; Y165-I167 PolarHBondContact O-N 3.32Å; Y165-T168 WeakPolarHBondContact O-CA 3.29Å; Y165-T168 WeakPolarHBondContact O-CB 3.29Å; Y165-T168 PolarHBondContact O-N 3.18Å; Y165-M169 HydrophobicContact CE1-CB 4.38Å; Y165-M169 HydrophobicContact CE1-CG 4.46Å; Y165-M169 WeakPolarHBondContact O-CB 3.09Å; Y165-M169 PolarHBondContact O-N 3.42Å; Y165-S216 PolarHBondContact OH-O 3.34Å; Y165-N220 HydrophobicContact CD1-CB 4.09Å; Y165-N220 HydrophobicContact CE1-CB 3.44Å; Y165-N220 VanDerWaalsContact CE1-CB 3.44Å; Y165-N220 HydrophobicContact CE2-CB 4.42Å; Y165-N220 PolarHBondContact OH-N 3.15Å
166	N	90.9	Very high	90.2	Very high	70 Å²	70	51.5 Å²	51.5	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-40.6	-178.6	-74.8	-48.2	0	0	0	112.3	D162 T168 M169 G170	D162-N166 VanDerWaalsContact CG-ND2 3.29Å; D162-N166 WeakPolarHBondContact O-CB 3.46Å; D162-N166 PolarHBondContact O-N 3.15Å; D162-N166 PolarHBondContact O-ND2 2.91Å; D162-N166 PolarHBondContact OD1-ND2 2.99Å; D162-N166 PolarHBondContact OD2-ND2 3.45Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.23Å; N166-M169 PolarHBondContact O-N 3.21Å; N166-G170 PolarHBondContact O-N 2.84Å
167	I	90.3	Very high	89.9	Confident	97 Å²	97	50.5 Å²	50.5	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-43.4	173.2	-68.8	166.1	0	0	0	110.7	G163 Y165 M169 H171	G163-I167 WeakPolarHBondContact O-CB 3.34Å; G163-I167 WeakPolarHBondContact O-CD1 3.47Å; G163-I167 VanDerWaalsContact O-CG1 3.24Å; G163-I167 WeakPolarHBondContact O-CG1 3.48Å; G163-I167 PolarHBondContact O-N 3.27Å; Y165-I167 VanDerWaalsContact C-N 3.35Å; Y165-I167 PolarHBondContact O-N 3.32Å; I167-M169 VanDerWaalsContact C-N 3.34Å; I167-H171 PolarHBondContact O-CD2 3.39Å; I167-H171 PolarHBondContact O-N 3.06Å
168	T	89.6	Confident	89.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-40.2	-179.1	-58.7	0	0	0	0	111.2	L96 K99 I164 Y165 N166 H171 M172	L96-T168 HydrophobicContact CD2-CG2 3.6Å; K99-T168 HydrophobicContact CB-CG2 4.44Å; I164-T168 WeakPolarHBondContact O-CB 3.16Å; I164-T168 PolarHBondContact O-N 3.13Å; I164-T168 PolarHBondContact O-OG1 3.03Å; Y165-T168 WeakPolarHBondContact O-CA 3.29Å; Y165-T168 WeakPolarHBondContact O-CB 3.29Å; Y165-T168 PolarHBondContact O-N 3.18Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.23Å; T168-H171 PolarHBondContact O-N 3.35Å; T168-M172 PolarHBondContact O-N 3.38Å
169	M	88.2	Confident	89.7	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.044	29%	0.289	C	S	.	.	H	α-helix	trans	-75.3	-33.5	-179.7	-148.8	52.2	167.4	0	0	112.7	L96 Y165 N166 I167 H171 M172 H173 I215 S216 L219	L96-M169 HydrophobicContact CD1-SD 4.33Å; Y165-M169 HydrophobicContact CE1-CB 4.38Å; Y165-M169 HydrophobicContact CE1-CG 4.46Å; Y165-M169 WeakPolarHBondContact O-CB 3.09Å; Y165-M169 PolarHBondContact O-N 3.42Å; N166-M169 PolarHBondContact O-N 3.21Å; I167-M169 VanDerWaalsContact C-N 3.34Å; M169-H171 VanDerWaalsContact C-N 3.33Å; M169-H171 PolarHBondContact O-N 3.43Å; M169-M172 HydrophobicContact CE-CE 3.22Å; M169-M172 HydrophobicContact CE-SD 3.76Å; M169-M172 HydrophobicContact CG-CE 4.43Å; M169-M172 WeakPolarHBondContact O-CB 3.08Å; M169-M172 PolarHBondContact O-N 2.82Å; M169-M172 VanDerWaalsContact O-N 3.09Å; M169-M172 HydrophobicContact SD-CB 4.21Å; M169-M172 HydrophobicContact SD-CE 3.5Å; M169-M172 WeakPolarHBondContact SD-CE 3.27Å; M169-M172 HydrophobicContact SD-SD 3.64Å; M169-M172 VanDerWaalsContact SD-SD 3.64Å; M169-H173 PolarHBondContact O-N 3.25Å; M169-I215 HydrophobicContact CE-CG2 4.36Å; M169-S216 VanDerWaalsContact CE-CA 3.4Å; M169-S216 WeakPolarHBondContact CG-OG 3.31Å; M169-L219 HydrophobicContact CE-CD2 4.46Å
170	G	88.9	Confident	89.6	Confident	34 Å²	34	44.1 Å²	44.1	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-39.8	171	0	0	0	0	0	112.8	N166 M172 H173 S174	N166-G170 PolarHBondContact O-N 2.84Å; G170-M172 VanDerWaalsContact C-N 3.34Å; G170-M172 PolarHBondContact O-N 3.46Å; G170-H173 PolarHBondContact O-N 3.25Å; G170-S174 PolarHBondContact O-N 3.11Å; G170-S174 PolarHBondContact O-OG 3.37Å
171	H	86.8	Confident	89.5	Confident	106 Å²	106	47.8 Å²	47.8	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-37.3	172.7	-78.5	-124.3	0	0	0	112.5	K99 I167 T168 M169 R175	K99-H171 PolarHBondContact NZ-CE1 3.04Å; K99-H171 VanDerWaalsContact NZ-CG 3.3Å; K99-H171 PolarHBondContact NZ-ND1 2.74Å; I167-H171 PolarHBondContact O-CD2 3.39Å; I167-H171 PolarHBondContact O-N 3.06Å; T168-H171 PolarHBondContact O-N 3.35Å; M169-H171 VanDerWaalsContact C-N 3.33Å; M169-H171 PolarHBondContact O-N 3.43Å; H171-R175 WeakPolarHBondContact O-CB 3.42Å; H171-R175 PolarHBondContact O-N 3.29Å; H171-R175 VanDerWaalsContact O-N 3.12Å
172	M	86.1	Confident	89.5	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-46.6	175.1	-172	-163.4	76	0	0	110.3	F95 L96 T168 M169 G170 S174 R175 V176	F95-M172 HydrophobicContact CB-CG 4.19Å; L96-M172 HydrophobicContact CD1-CG 4.33Å; L96-M172 HydrophobicContact CD1-SD 3.47Å; L96-M172 WeakPolarHBondContact CD1-SD 3.38Å; L96-M172 HydrophobicContact CD2-CB 4.3Å; L96-M172 HydrophobicContact CG-CB 4.25Å; L96-M172 HydrophobicContact CG-CG 4.08Å; L96-M172 HydrophobicContact CG-SD 3.89Å; T168-M172 PolarHBondContact O-N 3.38Å; M169-M172 HydrophobicContact CE-CE 3.22Å; M169-M172 HydrophobicContact CE-SD 3.76Å; M169-M172 HydrophobicContact CG-CE 4.43Å; M169-M172 WeakPolarHBondContact O-CB 3.08Å; M169-M172 PolarHBondContact O-N 2.82Å; M169-M172 VanDerWaalsContact O-N 3.09Å; M169-M172 HydrophobicContact SD-CB 4.21Å; M169-M172 HydrophobicContact SD-CE 3.5Å; M169-M172 WeakPolarHBondContact SD-CE 3.27Å; M169-M172 HydrophobicContact SD-SD 3.64Å; M169-M172 VanDerWaalsContact SD-SD 3.64Å; G170-M172 VanDerWaalsContact C-N 3.34Å; G170-M172 PolarHBondContact O-N 3.46Å; M172-S174 PolarHBondContact O-N 3.14Å; M172-R175 PolarHBondContact O-N 2.84Å; M172-V176 HydrophobicContact CG-CG2 4.36Å; M172-V176 WeakPolarHBondContact O-CG2 3.28Å; M172-V176 PolarHBondContact O-N 3.28Å
173	H	88.4	Confident	89.4	Confident	59 Å²	59	52.9 Å²	52.9	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-55.4	-52.8	177.7	175.8	93.8	0	0	0	111.6	M169 G170 R175 V176 H177 C212	M169-H173 PolarHBondContact O-N 3.25Å; G170-H173 PolarHBondContact O-N 3.25Å; H173-R175 VanDerWaalsContact C-N 3.31Å; H173-R175 PolarHBondContact O-N 3.41Å; H173-V176 PolarHBondContact O-N 3.01Å; H173-H177 AromaticContact CD2-CD2 3.75Å; H173-H177 AromaticContact CE1-CD2 3.38Å; H173-H177 PolarHBondContact CE1-CD2 3.38Å; H173-H177 AromaticContact CE1-NE2 3.22Å; H173-H177 PolarHBondContact CE1-NE2 3.36Å; H173-H177 AromaticContact ND1-CD2 3.81Å; H173-H177 AromaticContact ND1-NE2 3.91Å; H173-H177 AromaticContact NE2-CD2 3.32Å; H173-H177 PolarHBondContact NE2-CD2 3.45Å; H173-H177 VanDerWaalsContact NE2-CD2 3.32Å; H173-H177 AromaticContact NE2-NE2 3.5Å; H173-H177 PolarHBondContact O-CD2 2.88Å; H173-H177 PolarHBondContact O-N 3.39Å; H173-C212 HydrophobicContact CB-CB 4.47Å; H173-C212 WeakPolarHBondContact ND1-CB 3.37Å
174	S	88.4	Confident	89.3	Confident	83 Å²	83	51.8 Å²	51.8	58%	0.58	27%	0.268	S	S	*	.	H	α-helix	trans	-61.6	-37	178.1	-56.2	0	0	0	0	113	G170 M172 G178	G170-S174 PolarHBondContact O-N 3.11Å; G170-S174 PolarHBondContact O-OG 3.37Å; M172-S174 PolarHBondContact O-N 3.14Å; S174-G178 PolarHBondContact O-N 3.22Å
175	R	88.3	Confident	89.2	Confident	119 Å²	119	54.7 Å²	54.7	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-45.3	178.4	-173.3	177.2	-175.7	176.7	5.5	111.8	F95 H171 M172 H173 G178 E179	F95-R175 HydrophobicContact CD1-CG 4.31Å; F95-R175 PolarHBondContact O-NH1 2.93Å; H171-R175 WeakPolarHBondContact O-CB 3.42Å; H171-R175 PolarHBondContact O-N 3.29Å; H171-R175 VanDerWaalsContact O-N 3.12Å; M172-R175 PolarHBondContact O-N 2.84Å; H173-R175 VanDerWaalsContact C-N 3.31Å; H173-R175 PolarHBondContact O-N 3.41Å; R175-G178 PolarHBondContact O-N 3.38Å; R175-E179 WeakPolarHBondContact O-CG 3.24Å; R175-E179 PolarHBondContact O-N 2.97Å
176	V	87.4	Confident	89	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-47.2	177.8	172.8	0	0	0	0	110.1	F95 M172 H173 G178 E179 V180 T208	F95-V176 HydrophobicContact CB-CG2 4.37Å; F95-V176 HydrophobicContact CD1-CG2 4.47Å; F95-V176 HydrophobicContact CD2-CG2 4.11Å; F95-V176 HydrophobicContact CG-CG2 4.07Å; M172-V176 HydrophobicContact CG-CG2 4.36Å; M172-V176 WeakPolarHBondContact O-CG2 3.28Å; M172-V176 PolarHBondContact O-N 3.28Å; H173-V176 PolarHBondContact O-N 3.01Å; V176-G178 VanDerWaalsContact C-N 3.32Å; V176-G178 PolarHBondContact O-N 3.3Å; V176-E179 PolarHBondContact O-N 2.99Å; V176-V180 HydrophobicContact CG1-CG2 4.16Å; V176-V180 WeakPolarHBondContact O-CB 3.43Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.48Å; V176-V180 PolarHBondContact O-N 2.87Å; V176-T208 HydrophobicContact CG1-CG2 3.96Å
177	H	88.4	Confident	88.9	Confident	38 Å²	38	55.2 Å²	55.2	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-44.1	175.3	-90.7	-77.5	0	0	0	112.6	H173 F181 V204 T205 S209	H173-H177 AromaticContact CD2-CD2 3.75Å; H173-H177 AromaticContact CE1-CD2 3.38Å; H173-H177 PolarHBondContact CE1-CD2 3.38Å; H173-H177 AromaticContact CE1-NE2 3.22Å; H173-H177 PolarHBondContact CE1-NE2 3.36Å; H173-H177 AromaticContact ND1-CD2 3.81Å; H173-H177 AromaticContact ND1-NE2 3.91Å; H173-H177 AromaticContact NE2-CD2 3.32Å; H173-H177 PolarHBondContact NE2-CD2 3.45Å; H173-H177 VanDerWaalsContact NE2-CD2 3.32Å; H173-H177 AromaticContact NE2-NE2 3.5Å; H173-H177 PolarHBondContact O-CD2 2.88Å; H173-H177 PolarHBondContact O-N 3.39Å; H177-F181 VanDerWaalsContact O-CB 3.27Å; H177-F181 WeakPolarHBondContact O-CB 3.15Å; H177-F181 PolarHBondContact O-N 3.11Å; H177-V204 PolarHBondContact CE1-O 3Å; H177-V204 VanDerWaalsContact CE1-O 3.28Å; H177-V204 PolarHBondContact ND1-O 3.44Å; H177-T205 PolarHBondContact CE1-O 3.21Å; H177-S209 WeakPolarHBondContact NE2-CA 3.1Å; H177-S209 PolarHBondContact NE2-N 3.38Å
178	G	89.8	Confident	88.7	Confident	39 Å²	39	52.1 Å²	52.1	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-45.2	177.7	0	0	0	0	0	113.2	S174 R175 V176 R182	S174-G178 PolarHBondContact O-N 3.22Å; R175-G178 PolarHBondContact O-N 3.38Å; V176-G178 VanDerWaalsContact C-N 3.32Å; V176-G178 PolarHBondContact O-N 3.3Å; G178-R182 WeakPolarHBondContact O-CB 3.42Å; G178-R182 PolarHBondContact O-N 3.26Å
179	E	89.1	Confident	88.6	Confident	78 Å²	78	54.1 Å²	54.1	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-69.5	-39.6	178.8	-68.7	-69.2	174.1	0	0	112.3	F95 R175 V176 R182 A183 L398	F95-E179 HydrophobicContact CE1-CG 4.23Å; R175-E179 WeakPolarHBondContact O-CG 3.24Å; R175-E179 PolarHBondContact O-N 2.97Å; V176-E179 PolarHBondContact O-N 2.99Å; E179-R182 PolarHBondContact O-N 3.16Å; E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 2.96Å; E179-L398 HydrophobicContact CB-CD2 4.19Å
180	V	90.6	Very high	88.5	Confident	2 Å²	2	54 Å²	54	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-47.8	176.2	172.1	0	0	0	0	110.4	V176 R182 A183 V184 V204 T208 I394 L398	V176-V180 HydrophobicContact CG1-CG2 4.16Å; V176-V180 WeakPolarHBondContact O-CB 3.43Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.48Å; V176-V180 PolarHBondContact O-N 2.87Å; V180-R182 VanDerWaalsContact C-N 3.31Å; V180-R182 PolarHBondContact O-N 2.97Å; V180-A183 PolarHBondContact O-N 3.29Å; V180-V184 WeakPolarHBondContact O-CG2 3.49Å; V180-V184 PolarHBondContact O-N 3.04Å; V180-V204 HydrophobicContact CG1-CG1 4.26Å; V180-V204 HydrophobicContact CG1-CG2 4.13Å; V180-T208 HydrophobicContact CG2-CG2 4.32Å; V180-I394 HydrophobicContact CG1-CG2 4.45Å; V180-I394 HydrophobicContact CG2-CG2 3.48Å; V180-I394 VanDerWaalsContact CG2-CG2 3.48Å; V180-L398 HydrophobicContact CB-CD2 4.49Å; V180-L398 HydrophobicContact CG2-CD1 3.91Å; V180-L398 HydrophobicContact CG2-CD2 3.94Å; V180-L398 HydrophobicContact CG2-CG 3.94Å
181	F	91.3	Very high	88.4	Confident	119 Å²	119	52.7 Å²	52.7	52%	0.522	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-42.7	176.5	-176.1	-109.1	0	0	0	111.3	H177 V184 L185 V204	H177-F181 VanDerWaalsContact O-CB 3.27Å; H177-F181 WeakPolarHBondContact O-CB 3.15Å; H177-F181 PolarHBondContact O-N 3.11Å; F181-V184 PolarHBondContact O-N 2.92Å; F181-L185 HydrophobicContact CD1-CD1 3.9Å; F181-L185 HydrophobicContact CE1-CD1 3.45Å; F181-L185 VanDerWaalsContact CE1-CD1 3.45Å; F181-L185 HydrophobicContact CE1-CG 4.23Å; F181-L185 HydrophobicContact CZ-CD1 3.84Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 HydrophobicContact CZ-CG 4.26Å; F181-L185 WeakPolarHBondContact O-CG 3.4Å; F181-L185 PolarHBondContact O-N 2.79Å; F181-L185 VanDerWaalsContact O-N 3.08Å; F181-V204 HydrophobicContact CB-CG1 4.28Å; F181-V204 HydrophobicContact CD2-CG1 4.17Å
182	R	90.3	Very high	88.4	Confident	145 Å²	145	51.2 Å²	51.2	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-48.4	174.7	-178	-177.1	170.3	87.6	8.4	111.6	G178 E179 V180 V184 L185 H186	G178-R182 WeakPolarHBondContact O-CB 3.42Å; G178-R182 PolarHBondContact O-N 3.26Å; E179-R182 PolarHBondContact O-N 3.16Å; V180-R182 VanDerWaalsContact C-N 3.31Å; V180-R182 PolarHBondContact O-N 2.97Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.93Å; R182-L185 PolarHBondContact O-N 3.15Å; R182-H186 PolarHBondContact NH2-NE2 3.18Å; R182-H186 PolarHBondContact O-N 3.38Å; R182-H186 VanDerWaalsContact O-N 3.15Å; R182-H186 PolarHBondContact O-ND1 2.84Å
183	A	89.4	Confident	88.3	Confident	21 Å²	21	54.9 Å²	54.9	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-179.6	0	0	0	0	0	111.7	E179 V180 L185 H186 Q187 L398	E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 2.96Å; V180-A183 PolarHBondContact O-N 3.29Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 3.1Å; A183-H186 PolarHBondContact O-N 3.34Å; A183-H186 VanDerWaalsContact O-N 3.15Å; A183-Q187 PolarHBondContact O-N 2.96Å; A183-L398 HydrophobicContact CB-CD2 3.93Å
184	V	90.3	Very high	88.1	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.8	171.1	0	0	0	0	111.6	V180 F181 R182 H186 Q187 F192 I200 V204 Y397	V180-V184 WeakPolarHBondContact O-CG2 3.49Å; V180-V184 PolarHBondContact O-N 3.04Å; F181-V184 PolarHBondContact O-N 2.92Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 2.93Å; V184-H186 VanDerWaalsContact C-N 3.26Å; V184-H186 PolarHBondContact O-N 2.64Å; V184-Q187 VanDerWaalsContact O-CB 3.28Å; V184-Q187 WeakPolarHBondContact O-CB 3.46Å; V184-Q187 PolarHBondContact O-N 3.02Å; V184-F192 HydrophobicContact CG1-CE1 4Å; V184-F192 HydrophobicContact CG1-CZ 3.9Å; V184-F192 VanDerWaalsContact O-CZ 3.3Å; V184-F192 WeakPolarHBondContact O-CZ 3.43Å; V184-I200 HydrophobicContact CG1-CG2 3.65Å; V184-V204 HydrophobicContact CG2-CG2 3.75Å; V184-Y397 HydrophobicContact CG2-CD1 3.82Å; V184-Y397 HydrophobicContact CG2-CE1 4.37Å
185	L	88.8	Confident	87.9	Confident	107 Å²	107	55.1 Å²	55.1	56%	0.56	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-24.3	177.4	-71.6	178.9	0	0	0	114.1	F181 R182 A183 Q187	F181-L185 HydrophobicContact CD1-CD1 3.9Å; F181-L185 HydrophobicContact CE1-CD1 3.45Å; F181-L185 VanDerWaalsContact CE1-CD1 3.45Å; F181-L185 HydrophobicContact CE1-CG 4.23Å; F181-L185 HydrophobicContact CZ-CD1 3.84Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 HydrophobicContact CZ-CG 4.26Å; F181-L185 WeakPolarHBondContact O-CG 3.4Å; F181-L185 PolarHBondContact O-N 2.79Å; F181-L185 VanDerWaalsContact O-N 3.08Å; R182-L185 PolarHBondContact O-N 3.15Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 3.1Å; L185-Q187 VanDerWaalsContact C-N 3.29Å
186	H	87.8	Confident	87.6	Confident	68 Å²	68	53.8 Å²	53.8	32%	0.315	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.3	177.3	-72.7	63.5	0	0	0	112.8	R182 A183 V184 P402	R182-H186 PolarHBondContact NH2-NE2 3.18Å; R182-H186 PolarHBondContact O-N 3.38Å; R182-H186 VanDerWaalsContact O-N 3.15Å; R182-H186 PolarHBondContact O-ND1 2.84Å; A183-H186 PolarHBondContact O-N 3.34Å; A183-H186 VanDerWaalsContact O-N 3.15Å; V184-H186 VanDerWaalsContact C-N 3.26Å; V184-H186 PolarHBondContact O-N 2.64Å; H186-P402 WeakPolarHBondContact O-CB 3.43Å
187	Q	88.4	Confident	87.5	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.075	30%	0.302	C	S	.	.	S	Bend	trans	-76.3	149.5	-179.7	-157.4	64	46.3	0	0	111.8	A183 V184 L185 F191 F192 R400	A183-Q187 PolarHBondContact O-N 2.96Å; V184-Q187 VanDerWaalsContact O-CB 3.28Å; V184-Q187 WeakPolarHBondContact O-CB 3.46Å; V184-Q187 PolarHBondContact O-N 3.02Å; L185-Q187 VanDerWaalsContact C-N 3.29Å; Q187-F191 HydrophobicContact CB-CB 4.22Å; Q187-F191 HydrophobicContact CB-CD1 4.18Å; Q187-F191 HydrophobicContact CB-CG 4.23Å; Q187-F191 HydrophobicContact CG-CB 3.33Å; Q187-F191 HydrophobicContact CG-CD1 3.8Å; Q187-F191 HydrophobicContact CG-CD2 3.89Å; Q187-F191 HydrophobicContact CG-CG 3.38Å; Q187-F192 HydrophobicContact CB-CE2 4.37Å; Q187-R400 VanDerWaalsContact CD-CD 3.47Å; Q187-R400 VanDerWaalsContact CD-NE 3.27Å
188	E	86.9	Confident	87.3	Confident	31 Å²	31	59.2 Å²	59.2	15%	0.145	32%	0.321	C	S	.	.			trans	-59.8	151.1	176.4	65.4	-78.1	163.5	0	0	113.4	G190 F191 R400 P402 C403	E188-G190 PolarHBondContact O-N 3.18Å; E188-G190 VanDerWaalsContact O-N 3.14Å; E188-F191 HydrophobicContact CG-CB 4.46Å; E188-F191 WeakPolarHBondContact O-CB 3.28Å; E188-F191 PolarHBondContact O-N 3.34Å; E188-R400 IonicContact OE1-CZ 2.9Å; E188-R400 IonicContact OE1-NE 2.76Å; E188-R400 IonicContact OE1-NH2 2.8Å; E188-R400 PolarHBondContact OE1-NH2 3.07Å; E188-P402 VanDerWaalsContact OE2-CA 3.28Å; E188-P402 WeakPolarHBondContact OE2-CA 3.25Å; E188-C403 PolarHBondContact OE2-N 3.12Å
189	T	87.3	Confident	86.9	Confident	46 Å²	46	59 Å²	59	28%	0.282	31%	0.313	S	S	.	.	H	α-helix	trans	-54.9	-31.7	173.4	39.2	0	0	0	0	113.2	F191 F192 L193 L470	T189-F191 PolarHBondContact O-N 3.07Å; T189-F192 PolarHBondContact O-N 2.89Å; T189-F192 VanDerWaalsContact O-N 3.07Å; T189-L193 PolarHBondContact O-N 3.14Å; T189-L193 VanDerWaalsContact O-N 3.14Å; T189-L470 HydrophobicContact CG2-CB 4.49Å; T189-L470 HydrophobicContact CG2-CD2 4.33Å; T189-L470 PolarHBondContact OG1-O 3.42Å
190	G	84.8	Confident	86.9	Confident	5 Å²	5	55.7 Å²	55.7	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-25.6	173.5	0	0	0	0	0	114	E188 K194	E188-G190 PolarHBondContact O-N 3.18Å; E188-G190 VanDerWaalsContact O-N 3.14Å; G190-K194 PolarHBondContact O-N 2.71Å
191	F	87	Confident	86.7	Confident	7 Å²	7	59.1 Å²	59.1	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-68.1	-43.1	173.1	175.6	-97.3	0	0	0	112.1	Q187 E188 T189 L193 K194 N195 I200 Y397	Q187-F191 HydrophobicContact CB-CB 4.22Å; Q187-F191 HydrophobicContact CB-CD1 4.18Å; Q187-F191 HydrophobicContact CB-CG 4.23Å; Q187-F191 HydrophobicContact CG-CB 3.33Å; Q187-F191 HydrophobicContact CG-CD1 3.8Å; Q187-F191 HydrophobicContact CG-CD2 3.89Å; Q187-F191 HydrophobicContact CG-CG 3.38Å; E188-F191 HydrophobicContact CG-CB 4.46Å; E188-F191 WeakPolarHBondContact O-CB 3.28Å; E188-F191 PolarHBondContact O-N 3.34Å; T189-F191 PolarHBondContact O-N 3.07Å; F191-L193 VanDerWaalsContact C-N 3.28Å; F191-L193 PolarHBondContact O-N 2.91Å; F191-K194 PolarHBondContact O-N 2.64Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.34Å; F191-N195 HydrophobicContact CE1-CB 4.41Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.25Å; F191-N195 HydrophobicContact CZ-CB 4.22Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.35Å; F191-N195 PolarHBondContact O-N 3.46Å; F191-N195 PolarHBondContact O-ND2 3.2Å; F191-I200 HydrophobicContact CD1-CD1 4.3Å; F191-I200 HydrophobicContact CE1-CD1 3.76Å; F191-I200 HydrophobicContact CE1-CG1 4.13Å; F191-Y397 HydrophobicContact CE1-CD1 4.47Å; F191-Y397 AromaticContact CE1-CE1 3.82Å; F191-Y397 HydrophobicContact CE1-CE1 3.82Å; F191-Y397 HydrophobicContact CE2-CE1 4.14Å; F191-Y397 AromaticContact CZ-CD1 3.95Å; F191-Y397 HydrophobicContact CZ-CD1 3.95Å; F191-Y397 AromaticContact CZ-CE1 3.21Å; F191-Y397 HydrophobicContact CZ-CE1 3.21Å; F191-Y397 AromaticContact CZ-CZ 3.92Å
192	F	88.3	Confident	86.4	Confident	75 Å²	75	55.4 Å²	55.4	33%	0.329	31%	0.308	S	S	.	.	H	α-helix	trans	-71.3	-23	178.3	-64.2	-86.3	0	0	0	112.7	V184 Q187 T189 I200	V184-F192 HydrophobicContact CG1-CE1 4Å; V184-F192 HydrophobicContact CG1-CZ 3.9Å; V184-F192 VanDerWaalsContact O-CZ 3.3Å; V184-F192 WeakPolarHBondContact O-CZ 3.43Å; Q187-F192 HydrophobicContact CB-CE2 4.37Å; T189-F192 PolarHBondContact O-N 2.89Å; T189-F192 VanDerWaalsContact O-N 3.07Å; F192-I200 HydrophobicContact CD1-CD1 3.45Å; F192-I200 VanDerWaalsContact CD1-CD1 3.45Å; F192-I200 HydrophobicContact CE1-CD1 3.85Å; F192-I200 HydrophobicContact CG-CD1 4.34Å
193	L	83.8	Confident	86.1	Confident	82 Å²	82	52.4 Å²	52.4	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-73.8	-29.8	169.6	-71.9	-178	0	0	0	113.1	T189 F191 Y428 N430 Y471	T189-L193 PolarHBondContact O-N 3.14Å; T189-L193 VanDerWaalsContact O-N 3.14Å; F191-L193 VanDerWaalsContact C-N 3.28Å; F191-L193 PolarHBondContact O-N 2.91Å; L193-Y428 HydrophobicContact CD1-CD1 4.15Å; L193-N430 PolarHBondContact O-ND2 3.41Å; L193-Y471 HydrophobicContact CD1-CE1 4.11Å; L193-Y471 WeakPolarHBondContact CD1-OH 3.46Å
194	K	83.6	Confident	86	Confident	116 Å²	116	52 Å²	52	50%	0.504	29%	0.292	S	S	.	.	H	α-helix	trans	-82.7	-30.5	178.8	-73.2	-175.8	-179.1	-169.9	0	112.7	G190 F191 P429 N430	G190-K194 PolarHBondContact O-N 2.71Å; F191-K194 PolarHBondContact O-N 2.64Å; K194-P429 WeakPolarHBondContact CE-O 3.48Å; K194-P429 PolarHBondContact NZ-O 3.05Å; K194-N430 WeakPolarHBondContact CE-OD1 3.28Å; K194-N430 WeakPolarHBondContact CG-OD1 3.22Å
195	N	83.8	Confident	85.8	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.171	31%	0.31	C	S	.	.	S	Bend	trans	-117.7	117.8	-172.6	-60.5	-84.6	0	0	0	109.1	F191 I200	F191-N195 WeakPolarHBondContact CD2-ND2 3.34Å; F191-N195 HydrophobicContact CE1-CB 4.41Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.25Å; F191-N195 HydrophobicContact CZ-CB 4.22Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.35Å; F191-N195 PolarHBondContact O-N 3.46Å; F191-N195 PolarHBondContact O-ND2 3.2Å; N195-I200 HydrophobicContact CB-CD1 3.93Å; N195-I200 HydrophobicContact CB-CG1 3.88Å; N195-I200 WeakPolarHBondContact O-CD1 3.45Å
196	P	83.2	Confident	85.7	Confident	90 Å²	90	55 Å²	55	58%	0.584	31%	0.308	S	S	*	.			trans	-62.5	141.3	-179	24.4	-31.5	0	0	0	110.5	G198 S199 I200	P196-G198 VanDerWaalsContact C-N 3.26Å; P196-G198 PolarHBondContact O-N 3.13Å; P196-G198 VanDerWaalsContact O-N 3.16Å; P196-S199 WeakPolarHBondContact CD-OG 3.48Å; P196-S199 WeakPolarHBondContact CG-OG 3.43Å; P196-S199 WeakPolarHBondContact O-CA 3.24Å; P196-S199 WeakPolarHBondContact O-CB 3.27Å; P196-S199 PolarHBondContact O-N 2.79Å; P196-S199 PolarHBondContact O-OG 3.05Å; P196-I200 PolarHBondContact O-N 3.45Å
197	T	85	Confident	85.6	Confident	100 Å²	100	54.9 Å²	54.9	61%	0.613	31%	0.309	S	S	*	.	H	α-helix	trans	-52.1	-42.5	-175.2	-49.8	0	0	0	0	112.6	S199 I200 T201	T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.26Å; T197-I200 PolarHBondContact O-N 3.07Å; T197-I200 VanDerWaalsContact O-N 3.11Å; T197-T201 PolarHBondContact O-N 3.47Å; T197-T201 PolarHBondContact O-OG1 3.41Å; T197-T201 VanDerWaalsContact O-OG1 3.08Å
198	G	83.6	Confident	85.5	Confident	57 Å²	57	54.1 Å²	54.1	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-59.7	-35.9	177.6	0	0	0	0	0	113.7	P196 S202	P196-G198 VanDerWaalsContact C-N 3.26Å; P196-G198 PolarHBondContact O-N 3.13Å; P196-G198 VanDerWaalsContact O-N 3.16Å; G198-S202 WeakPolarHBondContact O-CB 3.18Å; G198-S202 PolarHBondContact O-N 3.27Å
199	S	82.4	Confident	85.6	Confident	33 Å²	33	54.4 Å²	54.4	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-70.8	-36.6	176	73.7	0	0	0	0	112.5	P196 T197 R203	P196-S199 WeakPolarHBondContact CD-OG 3.48Å; P196-S199 WeakPolarHBondContact CG-OG 3.43Å; P196-S199 WeakPolarHBondContact O-CA 3.24Å; P196-S199 WeakPolarHBondContact O-CB 3.27Å; P196-S199 PolarHBondContact O-N 2.79Å; P196-S199 PolarHBondContact O-OG 3.05Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.26Å; S199-R203 WeakPolarHBondContact O-CB 3.33Å; S199-R203 WeakPolarHBondContact O-CD 3.14Å; S199-R203 WeakPolarHBondContact O-CG 2.92Å; S199-R203 PolarHBondContact O-N 2.82Å; S199-R203 VanDerWaalsContact O-N 3.08Å
200	I	87.6	Confident	85.7	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-45.9	176.1	-59.7	170.9	0	0	0	109.1	V184 F191 F192 N195 P196 T197 R203 V204	V184-I200 HydrophobicContact CG1-CG2 3.65Å; F191-I200 HydrophobicContact CD1-CD1 4.3Å; F191-I200 HydrophobicContact CE1-CD1 3.76Å; F191-I200 HydrophobicContact CE1-CG1 4.13Å; F192-I200 HydrophobicContact CD1-CD1 3.45Å; F192-I200 VanDerWaalsContact CD1-CD1 3.45Å; F192-I200 HydrophobicContact CE1-CD1 3.85Å; F192-I200 HydrophobicContact CG-CD1 4.34Å; N195-I200 HydrophobicContact CB-CD1 3.93Å; N195-I200 HydrophobicContact CB-CG1 3.88Å; N195-I200 WeakPolarHBondContact O-CD1 3.45Å; P196-I200 PolarHBondContact O-N 3.45Å; T197-I200 PolarHBondContact O-N 3.07Å; T197-I200 VanDerWaalsContact O-N 3.11Å; I200-R203 PolarHBondContact O-N 3.43Å; I200-V204 HydrophobicContact CG2-CG2 4.16Å; I200-V204 WeakPolarHBondContact O-CB 3.35Å; I200-V204 VanDerWaalsContact O-CG2 3.24Å; I200-V204 WeakPolarHBondContact O-CG2 3.25Å; I200-V204 PolarHBondContact O-N 2.95Å
201	T	87.3	Confident	85.8	Confident	75 Å²	75	56.3 Å²	56.3	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-58.2	-55.4	178.4	-57.4	0	0	0	0	111.1	T197 R203 V204 T205	T197-T201 PolarHBondContact O-N 3.47Å; T197-T201 PolarHBondContact O-OG1 3.41Å; T197-T201 VanDerWaalsContact O-OG1 3.08Å; T201-R203 VanDerWaalsContact C-N 3.27Å; T201-R203 PolarHBondContact O-N 3.22Å; T201-V204 PolarHBondContact O-N 3.45Å; T201-V204 VanDerWaalsContact O-N 3.12Å; T201-T205 HydrophobicContact CG2-CG2 4.43Å; T201-T205 PolarHBondContact O-N 3.41Å; T201-T205 PolarHBondContact O-OG1 3.32Å
202	S	85.8	Confident	85.8	Confident	41 Å²	41	56 Å²	56	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-57.5	-38.9	178.5	170.7	0	0	0	0	112	G198 E206 D207	G198-S202 WeakPolarHBondContact O-CB 3.18Å; G198-S202 PolarHBondContact O-N 3.27Å; S202-E206 WeakPolarHBondContact O-CA 3.19Å; S202-E206 WeakPolarHBondContact O-CB 3.27Å; S202-E206 PolarHBondContact O-N 3.48Å; S202-E206 PolarHBondContact OG-OE2 3.03Å; S202-D207 PolarHBondContact O-N 2.69Å
203	R	82.6	Confident	85.8	Confident	82 Å²	82	57.4 Å²	57.4	31%	0.309	33%	0.325	S	S	.	.	I	π-helix	trans	-66.2	-42.3	175.8	-73.6	172.6	-175.8	-157.9	3.2	113.3	S199 I200 T201 D207 T208 Y397	S199-R203 WeakPolarHBondContact O-CB 3.33Å; S199-R203 WeakPolarHBondContact O-CD 3.14Å; S199-R203 WeakPolarHBondContact O-CG 2.92Å; S199-R203 PolarHBondContact O-N 2.82Å; S199-R203 VanDerWaalsContact O-N 3.08Å; I200-R203 PolarHBondContact O-N 3.43Å; T201-R203 VanDerWaalsContact C-N 3.27Å; T201-R203 PolarHBondContact O-N 3.22Å; R203-D207 WeakPolarHBondContact CG-OD2 3.5Å; R203-D207 WeakPolarHBondContact O-CB 3.28Å; R203-T208 PolarHBondContact O-N 3.42Å; R203-T208 PolarHBondContact O-OG1 2.91Å; R203-Y397 WeakPolarHBondContact CD-OH 3.19Å; R203-Y397 PolarHBondContact NH1-OH 3.08Å
204	V	87.3	Confident	86	Confident	13 Å²	13	55.5 Å²	55.5	8%	0.079	32%	0.318	C	S	.	.	I	π-helix	trans	-74.9	-31.7	-178.4	174.3	0	0	0	0	112	H177 V180 F181 V184 I200 T201 T208	H177-V204 PolarHBondContact CE1-O 3Å; H177-V204 VanDerWaalsContact CE1-O 3.28Å; H177-V204 PolarHBondContact ND1-O 3.44Å; V180-V204 HydrophobicContact CG1-CG1 4.26Å; V180-V204 HydrophobicContact CG1-CG2 4.13Å; F181-V204 HydrophobicContact CB-CG1 4.28Å; F181-V204 HydrophobicContact CD2-CG1 4.17Å; V184-V204 HydrophobicContact CG2-CG2 3.75Å; I200-V204 HydrophobicContact CG2-CG2 4.16Å; I200-V204 WeakPolarHBondContact O-CB 3.35Å; I200-V204 VanDerWaalsContact O-CG2 3.24Å; I200-V204 WeakPolarHBondContact O-CG2 3.25Å; I200-V204 PolarHBondContact O-N 2.95Å; T201-V204 PolarHBondContact O-N 3.45Å; T201-V204 VanDerWaalsContact O-N 3.12Å; V204-T208 VanDerWaalsContact O-CB 3.26Å; V204-T208 WeakPolarHBondContact O-CB 3.34Å; V204-T208 PolarHBondContact O-OG1 3.02Å
205	T	87.1	Confident	86.1	Confident	67 Å²	67	50.1 Å²	50.1	41%	0.411	30%	0.295	S	S	.	.	I	π-helix	trans	-96.7	-68.7	-179	59.4	0	0	0	0	111.5	H177 T201 S209	H177-T205 PolarHBondContact CE1-O 3.21Å; T201-T205 HydrophobicContact CG2-CG2 4.43Å; T201-T205 PolarHBondContact O-N 3.41Å; T201-T205 PolarHBondContact O-OG1 3.32Å; T205-S209 WeakPolarHBondContact O-CB 3.42Å; T205-S209 PolarHBondContact O-N 2.89Å
206	E	86.9	Confident	86.2	Confident	111 Å²	111	49.2 Å²	49.2	52%	0.519	29%	0.291	S	S	.	.	I	π-helix	trans	-70	-53.8	-171.6	-60.5	173.1	163.2	0	0	111.8	S202 T208 S209 N210	S202-E206 WeakPolarHBondContact O-CA 3.19Å; S202-E206 WeakPolarHBondContact O-CB 3.27Å; S202-E206 PolarHBondContact O-N 3.48Å; S202-E206 PolarHBondContact OG-OE2 3.03Å; E206-T208 VanDerWaalsContact C-N 3.33Å; E206-T208 PolarHBondContact O-N 3.28Å; E206-S209 PolarHBondContact O-N 3.24Å; E206-N210 WeakPolarHBondContact O-CB 3.09Å; E206-N210 PolarHBondContact O-N 2.99Å; E206-N210 PolarHBondContact O-ND2 3.07Å; E206-N210 VanDerWaalsContact O-ND2 3.13Å
207	D	85.1	Confident	86.5	Confident	64 Å²	64	48.2 Å²	48.2	34%	0.342	28%	0.281	S	S	.	.	I	π-helix	trans	-63.9	-41.7	-177.4	-72.8	-19.3	0	0	0	111	S202 R203 V211	S202-D207 PolarHBondContact O-N 2.69Å; R203-D207 WeakPolarHBondContact CG-OD2 3.5Å; R203-D207 WeakPolarHBondContact O-CB 3.28Å; D207-V211 VanDerWaalsContact O-CB 3.31Å; D207-V211 WeakPolarHBondContact O-CB 2.77Å; D207-V211 WeakPolarHBondContact O-CG2 3.4Å; D207-V211 PolarHBondContact O-N 3.33Å
208	T	87.4	Confident	86.7	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-41.9	178	-56.5	0	0	0	0	111.7	V176 V180 R203 V204 E206 C212 I394	V176-T208 HydrophobicContact CG1-CG2 3.96Å; V180-T208 HydrophobicContact CG2-CG2 4.32Å; R203-T208 PolarHBondContact O-N 3.42Å; R203-T208 PolarHBondContact O-OG1 2.91Å; V204-T208 VanDerWaalsContact O-CB 3.26Å; V204-T208 WeakPolarHBondContact O-CB 3.34Å; V204-T208 PolarHBondContact O-OG1 3.02Å; E206-T208 VanDerWaalsContact C-N 3.33Å; E206-T208 PolarHBondContact O-N 3.28Å; T208-C212 WeakPolarHBondContact O-CB 3.3Å; T208-C212 PolarHBondContact O-N 3.34Å; T208-C212 PolarHBondContact O-SG 3.38Å; T208-I394 HydrophobicContact CG2-CD1 4.49Å
209	S	88.9	Confident	86.8	Confident	36 Å²	36	44.4 Å²	44.4	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-65.3	-50.5	176.4	-174.2	0	0	0	0	111.2	H177 T205 E206 V211 C212 E213	H177-S209 WeakPolarHBondContact NE2-CA 3.1Å; H177-S209 PolarHBondContact NE2-N 3.38Å; T205-S209 WeakPolarHBondContact O-CB 3.42Å; T205-S209 PolarHBondContact O-N 2.89Å; E206-S209 PolarHBondContact O-N 3.24Å; S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 2.69Å; S209-C212 PolarHBondContact O-N 3.04Å; S209-C212 VanDerWaalsContact O-N 3.15Å; S209-E213 VanDerWaalsContact O-CB 3.3Å; S209-E213 WeakPolarHBondContact O-CB 3.31Å; S209-E213 PolarHBondContact O-N 3.06Å
210	N	87.8	Confident	87.1	Confident	86 Å²	86	43.9 Å²	43.9	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-57.7	-41.3	-179.7	-72.7	-25.1	0	0	0	111.8	E206 S214	E206-N210 WeakPolarHBondContact O-CB 3.09Å; E206-N210 PolarHBondContact O-N 2.99Å; E206-N210 PolarHBondContact O-ND2 3.07Å; E206-N210 VanDerWaalsContact O-ND2 3.13Å; N210-S214 WeakPolarHBondContact O-CB 3.31Å; N210-S214 PolarHBondContact O-N 3.48Å; N210-S214 PolarHBondContact O-OG 3.44Å
211	V	87.1	Confident	87.2	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-47.4	177.1	168.4	0	0	0	0	110.9	M92 D207 S209 I215 A390 I394	M92-V211 HydrophobicContact CE-CG1 3.94Å; M92-V211 HydrophobicContact SD-CG1 4.1Å; D207-V211 VanDerWaalsContact O-CB 3.31Å; D207-V211 WeakPolarHBondContact O-CB 2.77Å; D207-V211 WeakPolarHBondContact O-CG2 3.4Å; D207-V211 PolarHBondContact O-N 3.33Å; S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 2.69Å; V211-I215 HydrophobicContact CG1-CD1 3.67Å; V211-I215 WeakPolarHBondContact O-CB 3.2Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.39Å; V211-I215 PolarHBondContact O-N 2.98Å; V211-A390 HydrophobicContact CG2-CB 3.64Å; V211-I394 HydrophobicContact CB-CD1 3.79Å; V211-I394 HydrophobicContact CG1-CD1 4.02Å; V211-I394 HydrophobicContact CG2-CD1 3.79Å
212	C	86.5	Confident	87.2	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-44.9	179.9	-71.1	0	0	0	0	112.1	H173 T208 S209 S216	H173-C212 HydrophobicContact CB-CB 4.47Å; H173-C212 WeakPolarHBondContact ND1-CB 3.37Å; T208-C212 WeakPolarHBondContact O-CB 3.3Å; T208-C212 PolarHBondContact O-N 3.34Å; T208-C212 PolarHBondContact O-SG 3.38Å; S209-C212 PolarHBondContact O-N 3.04Å; S209-C212 VanDerWaalsContact O-N 3.15Å; C212-S216 WeakPolarHBondContact O-CB 3.33Å; C212-S216 PolarHBondContact O-N 3.2Å
213	E	88.4	Confident	87.3	Confident	104 Å²	104	43.4 Å²	43.4	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-48.2	177.5	-174.1	176.4	-171.3	0	0	111	S209 I215 S216 D217	S209-E213 VanDerWaalsContact O-CB 3.3Å; S209-E213 WeakPolarHBondContact O-CB 3.31Å; S209-E213 PolarHBondContact O-N 3.06Å; E213-I215 VanDerWaalsContact C-N 3.33Å; E213-I215 PolarHBondContact O-N 3.34Å; E213-S216 WeakPolarHBondContact O-CB 3.23Å; E213-S216 PolarHBondContact O-N 3.33Å; E213-D217 PolarHBondContact O-N 2.78Å
214	S	87.9	Confident	87.6	Confident	41 Å²	41	41.6 Å²	41.6	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-44.3	177.4	-64.3	0	0	0	0	111.8	N210 K218 S387	N210-S214 WeakPolarHBondContact O-CB 3.31Å; N210-S214 PolarHBondContact O-N 3.48Å; N210-S214 PolarHBondContact O-OG 3.44Å; S214-K218 WeakPolarHBondContact O-CB 3.42Å; S214-K218 WeakPolarHBondContact O-CG 3.33Å; S214-K218 PolarHBondContact O-N 2.77Å; S214-S387 WeakPolarHBondContact CB-OG 3.33Å
215	I	85.4	Confident	87.7	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-41.1	178.9	-69.6	170.4	0	0	0	110.4	L89 M92 M169 V211 E213 L219	L89-I215 HydrophobicContact CD2-CD1 4.4Å; L89-I215 HydrophobicContact CD2-CG2 4.34Å; M92-I215 HydrophobicContact CE-CD1 4Å; M92-I215 HydrophobicContact SD-CD1 3.21Å; M92-I215 WeakPolarHBondContact SD-CD1 3.4Å; M169-I215 HydrophobicContact CE-CG2 4.36Å; V211-I215 HydrophobicContact CG1-CD1 3.67Å; V211-I215 WeakPolarHBondContact O-CB 3.2Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.39Å; V211-I215 PolarHBondContact O-N 2.98Å; E213-I215 VanDerWaalsContact C-N 3.33Å; E213-I215 PolarHBondContact O-N 3.34Å; I215-L219 WeakPolarHBondContact O-CB 3.5Å; I215-L219 PolarHBondContact O-N 3.46Å
216	S	87.8	Confident	87.7	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-53.2	-56.3	172.9	174.7	0	0	0	0	112.3	Y165 M169 C212 E213 L219 N220	Y165-S216 PolarHBondContact OH-O 3.34Å; M169-S216 VanDerWaalsContact CE-CA 3.4Å; M169-S216 WeakPolarHBondContact CG-OG 3.31Å; C212-S216 WeakPolarHBondContact O-CB 3.33Å; C212-S216 PolarHBondContact O-N 3.2Å; E213-S216 WeakPolarHBondContact O-CB 3.23Å; E213-S216 PolarHBondContact O-N 3.33Å; S216-L219 PolarHBondContact O-N 2.94Å; S216-N220 WeakPolarHBondContact O-CB 3.34Å; S216-N220 PolarHBondContact O-N 3.21Å
217	D	89.2	Confident	87.7	Confident	68 Å²	68	37.7 Å²	37.7	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-70.4	-43.8	-173	-68.8	-6	0	0	0	111.2	E213 L219 N220 L221	E213-D217 PolarHBondContact O-N 2.78Å; D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 PolarHBondContact O-N 3.22Å; D217-N220 PolarHBondContact O-N 3.31Å; D217-L221 WeakPolarHBondContact O-CB 3.39Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.42Å; D217-L221 PolarHBondContact O-N 3.37Å
218	K	88.1	Confident	87.8	Confident	62 Å²	62	37 Å²	37	27%	0.27	19%	0.188	S	C	.	.	H	α-helix	trans	-68.9	-33.9	-179.5	-61	-57	166.4	-166.6	0	111.7	S214 L221 F222 I380 S383 M384	S214-K218 WeakPolarHBondContact O-CB 3.42Å; S214-K218 WeakPolarHBondContact O-CG 3.33Å; S214-K218 PolarHBondContact O-N 2.77Å; K218-L221 HydrophobicContact CD-CD1 4.43Å; K218-F222 WeakPolarHBondContact O-CB 3.42Å; K218-F222 PolarHBondContact O-N 3.11Å; K218-I380 HydrophobicContact CB-CG2 4.16Å; K218-S383 VanDerWaalsContact CE-OG 3.26Å; K218-S383 WeakPolarHBondContact CE-OG 2.91Å; K218-M384 HydrophobicContact CB-CE 3.63Å; K218-M384 HydrophobicContact CB-SD 4.16Å
219	L	86	Confident	87.8	Confident	16 Å²	16	37.5 Å²	37.5	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-41.3	173.5	-177.1	66.5	0	0	0	111.3	L93 M169 I215 S216 D217 F222 L223 M384	L93-L219 HydrophobicContact CD2-CD2 3.93Å; M169-L219 HydrophobicContact CE-CD2 4.46Å; I215-L219 WeakPolarHBondContact O-CB 3.5Å; I215-L219 PolarHBondContact O-N 3.46Å; S216-L219 PolarHBondContact O-N 2.94Å; D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 PolarHBondContact O-N 3.22Å; L219-F222 PolarHBondContact O-N 3.41Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD1-CG 4.47Å; L219-L223 HydrophobicContact CG-CD1 4.24Å; L219-L223 WeakPolarHBondContact O-CG 3.03Å; L219-L223 PolarHBondContact O-N 3.27Å; L219-M384 HydrophobicContact CB-CE 4.48Å
220	N	88.8	Confident	87.7	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-57	175.9	-161.8	18.7	0	0	0	109.9	D162 Y165 S216 D217 F222 L223 W224	D162-N220 PolarHBondContact OD1-ND2 3.43Å; D162-N220 VanDerWaalsContact OD1-ND2 3.07Å; Y165-N220 HydrophobicContact CD1-CB 4.09Å; Y165-N220 HydrophobicContact CE1-CB 3.44Å; Y165-N220 VanDerWaalsContact CE1-CB 3.44Å; Y165-N220 HydrophobicContact CE2-CB 4.42Å; Y165-N220 PolarHBondContact OH-N 3.15Å; S216-N220 WeakPolarHBondContact O-CB 3.34Å; S216-N220 PolarHBondContact O-N 3.21Å; D217-N220 PolarHBondContact O-N 3.31Å; N220-F222 PolarHBondContact O-N 2.95Å; N220-L223 PolarHBondContact O-N 3.3Å; N220-L223 VanDerWaalsContact O-N 3.13Å; N220-W224 WeakPolarHBondContact O-CB 3.42Å; N220-W224 PolarHBondContact O-N 2.93Å; N220-W224 PolarHBondContact OD1-NE1 3.09Å; N220-W224 VanDerWaalsContact OD1-NE1 3.11Å
221	L	89.7	Confident	87.7	Confident	63 Å²	63	35.6 Å²	35.6	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-55.2	-41.5	177.9	-69.7	168.6	0	0	0	111.6	D217 K218 W224 Y225 I380	D217-L221 WeakPolarHBondContact O-CB 3.39Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.42Å; D217-L221 PolarHBondContact O-N 3.37Å; K218-L221 HydrophobicContact CD-CD1 4.43Å; L221-W224 PolarHBondContact O-N 3.05Å; L221-Y225 HydrophobicContact CB-CD2 4.41Å; L221-Y225 HydrophobicContact CD2-CD2 4.31Å; L221-Y225 HydrophobicContact CD2-CE2 3.82Å; L221-Y225 WeakPolarHBondContact O-CB 3.17Å; L221-Y225 VanDerWaalsContact O-CD2 3.25Å; L221-Y225 WeakPolarHBondContact O-CD2 3.34Å; L221-Y225 PolarHBondContact O-N 2.9Å; L221-I380 HydrophobicContact CB-CD1 3.77Å
222	F	88.3	Confident	87.8	Confident	21 Å²	21	35.4 Å²	35.4	9%	0.092	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-50.4	178.3	174.8	-95.3	0	0	0	111.9	L73 K218 L219 N220 W224 L226 L377 I380	L73-F222 HydrophobicContact CD2-CE2 3.56Å; L73-F222 HydrophobicContact CD2-CZ 3.49Å; L73-F222 VanDerWaalsContact CD2-CZ 3.49Å; K218-F222 WeakPolarHBondContact O-CB 3.42Å; K218-F222 PolarHBondContact O-N 3.11Å; L219-F222 PolarHBondContact O-N 3.41Å; N220-F222 PolarHBondContact O-N 2.95Å; F222-W224 VanDerWaalsContact C-N 3.34Å; F222-W224 PolarHBondContact O-N 3.35Å; F222-L226 HydrophobicContact CE1-CD2 3.93Å; F222-L226 HydrophobicContact CZ-CD2 3.98Å; F222-L226 WeakPolarHBondContact O-CB 3.48Å; F222-L226 PolarHBondContact O-N 3.09Å; F222-L377 HydrophobicContact CD2-CD1 3.45Å; F222-L377 VanDerWaalsContact CD2-CD1 3.45Å; F222-L377 HydrophobicContact CE2-CD1 3.76Å; F222-L377 HydrophobicContact CG-CD1 4.33Å; F222-I380 HydrophobicContact CB-CD1 4.07Å; F222-I380 HydrophobicContact CB-CG2 4.35Å
223	L	86.4	Confident	87.8	Confident	30 Å²	30	37.3 Å²	37.3	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-43.2	179.6	-70.6	171	0	0	0	111.5	L110 L219 N220 G227	L110-L223 HydrophobicContact CD1-CB 4.29Å; L219-L223 HydrophobicContact CD1-CD1 4.48Å; L219-L223 HydrophobicContact CD1-CG 4.47Å; L219-L223 HydrophobicContact CG-CD1 4.24Å; L219-L223 WeakPolarHBondContact O-CG 3.03Å; L219-L223 PolarHBondContact O-N 3.27Å; N220-L223 PolarHBondContact O-N 3.3Å; N220-L223 VanDerWaalsContact O-N 3.13Å; L223-G227 PolarHBondContact O-N 3.09Å
224	W	88.9	Confident	87.7	Confident	44 Å²	44	34.9 Å²	34.9	17%	0.167	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-55.9	177.7	-87.5	87.4	0	0	0	113.3	L110 E158 N220 L221 F222 L226 G227 R228	L110-W224 HydrophobicContact CD1-CB 4.35Å; L110-W224 HydrophobicContact CD1-CD2 3.91Å; L110-W224 HydrophobicContact CD1-CG 3.68Å; L110-W224 HydrophobicContact CG-CD2 4.19Å; L110-W224 HydrophobicContact CG-CG 4.38Å; E158-W224 HydrophobicContact CB-CH2 3.64Å; E158-W224 HydrophobicContact CB-CZ2 4.35Å; E158-W224 HydrophobicContact CG-CH2 3.3Å; E158-W224 HydrophobicContact CG-CZ2 4.32Å; E158-W224 HydrophobicContact CG-CZ3 3.82Å; N220-W224 WeakPolarHBondContact O-CB 3.42Å; N220-W224 PolarHBondContact O-N 2.93Å; N220-W224 PolarHBondContact OD1-NE1 3.09Å; N220-W224 VanDerWaalsContact OD1-NE1 3.11Å; L221-W224 PolarHBondContact O-N 3.05Å; F222-W224 VanDerWaalsContact C-N 3.34Å; F222-W224 PolarHBondContact O-N 3.35Å; W224-L226 VanDerWaalsContact C-N 3.31Å; W224-L226 PolarHBondContact O-N 2.84Å; W224-G227 PolarHBondContact O-N 3.46Å; W224-R228 VanDerWaalsContact O-CB 3.27Å; W224-R228 WeakPolarHBondContact O-CB 3.41Å; W224-R228 PolarHBondContact O-N 2.78Å
225	Y	89.8	Confident	87.6	Confident	70 Å²	70	34.5 Å²	34.5	28%	0.275	18%	0.181	S	C	.	.	H	α-helix	trans	-72.8	-25.6	-177.1	-76.1	-72.7	0	0	0	112.7	L221 G229 A373 V376	L221-Y225 HydrophobicContact CB-CD2 4.41Å; L221-Y225 HydrophobicContact CD2-CD2 4.31Å; L221-Y225 HydrophobicContact CD2-CE2 3.82Å; L221-Y225 WeakPolarHBondContact O-CB 3.17Å; L221-Y225 VanDerWaalsContact O-CD2 3.25Å; L221-Y225 WeakPolarHBondContact O-CD2 3.34Å; L221-Y225 PolarHBondContact O-N 2.9Å; Y225-G229 WeakPolarHBondContact O-CA 3.36Å; Y225-G229 PolarHBondContact O-N 3.23Å; Y225-A373 HydrophobicContact CD1-CB 3.83Å; Y225-V376 HydrophobicContact CD1-CB 4.36Å; Y225-V376 HydrophobicContact CD2-CB 4.05Å; Y225-V376 HydrophobicContact CD2-CG1 3.45Å; Y225-V376 VanDerWaalsContact CD2-CG1 3.45Å; Y225-V376 HydrophobicContact CE1-CB 4.39Å; Y225-V376 HydrophobicContact CE1-CG2 4.32Å; Y225-V376 HydrophobicContact CE2-CB 4.14Å; Y225-V376 HydrophobicContact CE2-CG1 3.53Å; Y225-V376 HydrophobicContact CE2-CG2 4.35Å; Y225-V376 HydrophobicContact CG-CB 4.17Å; Y225-V376 HydrophobicContact CG-CG1 4.04Å
226	L	87.4	Confident	87.6	Confident	28 Å²	28	34.4 Å²	34.4	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-50.4	169.7	-174.9	69.7	0	0	0	110.8	L73 F222 W224 G229 L230 L377	L73-L226 HydrophobicContact CD1-CD1 4.19Å; F222-L226 HydrophobicContact CE1-CD2 3.93Å; F222-L226 HydrophobicContact CZ-CD2 3.98Å; F222-L226 WeakPolarHBondContact O-CB 3.48Å; F222-L226 PolarHBondContact O-N 3.09Å; W224-L226 VanDerWaalsContact C-N 3.31Å; W224-L226 PolarHBondContact O-N 2.84Å; L226-G229 PolarHBondContact O-N 2.92Å; L226-L230 HydrophobicContact CG-CD1 4.37Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.47Å; L226-L230 PolarHBondContact O-N 3.36Å; L226-L377 HydrophobicContact CB-CD1 4.48Å; L226-L377 HydrophobicContact CD1-CD2 4.26Å
227	G	86.2	Confident	87.6	Confident	12 Å²	12	35.7 Å²	35.7	12%	0.124	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-49	177	0	0	0	0	0	111.9	L223 W224 G229 L230 C231	L223-G227 PolarHBondContact O-N 3.09Å; W224-G227 PolarHBondContact O-N 3.46Å; G227-G229 PolarHBondContact O-N 2.85Å; G227-L230 PolarHBondContact O-N 3.07Å; G227-C231 PolarHBondContact O-N 3.3Å; G227-C231 PolarHBondContact O-SG 3.21Å; G227-C231 VanDerWaalsContact O-SG 3.4Å
228	R	87.9	Confident	87.3	Confident	49 Å²	49	40 Å²	40	19%	0.185	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-43.1	177.1	-172.3	171.5	178.4	144.4	3.1	112.3	E117 M118 W224 L230 C231 L232	E117-R228 VanDerWaalsContact CD-NH1 3.29Å; E117-R228 IonicContact OE1-CZ 2.84Å; E117-R228 IonicContact OE1-NH1 3.28Å; E117-R228 PolarHBondContact OE1-NH1 2.73Å; E117-R228 IonicContact OE2-CZ 3.04Å; E117-R228 IonicContact OE2-NE 2.69Å; E117-R228 IonicContact OE2-NH1 3.21Å; E117-R228 PolarHBondContact OE2-NH1 2.99Å; M118-R228 HydrophobicContact CE-CG 3.89Å; W224-R228 VanDerWaalsContact O-CB 3.27Å; W224-R228 WeakPolarHBondContact O-CB 3.41Å; W224-R228 PolarHBondContact O-N 2.78Å; R228-L230 PolarHBondContact O-N 2.84Å; R228-C231 PolarHBondContact O-N 2.82Å; R228-L232 HydrophobicContact CG-CD1 3.8Å; R228-L232 HydrophobicContact CG-CG 4.38Å; R228-L232 VanDerWaalsContact O-CB 3.27Å; R228-L232 WeakPolarHBondContact O-CB 3.2Å; R228-L232 WeakPolarHBondContact O-CD1 3.48Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.39Å; R228-L232 PolarHBondContact O-N 3.12Å
229	G	87.9	Confident	86.9	Confident	11 Å²	11	39 Å²	39	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-42.7	177.3	0	0	0	0	0	112.7	Y225 L226 G227 L233	Y225-G229 WeakPolarHBondContact O-CA 3.36Å; Y225-G229 PolarHBondContact O-N 3.23Å; L226-G229 PolarHBondContact O-N 2.92Å; G227-G229 PolarHBondContact O-N 2.85Å; G229-L233 WeakPolarHBondContact O-CB 3.42Å; G229-L233 PolarHBondContact O-N 2.94Å
230	L	86.8	Confident	86.7	Confident	62 Å²	62	39 Å²	39	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-66.7	-44.6	176.6	-69.2	172.9	0	0	0	112	L19 L226 G227 R228 L233 A234	L19-L230 HydrophobicContact CD1-CD1 4.45Å; L226-L230 HydrophobicContact CG-CD1 4.37Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.47Å; L226-L230 PolarHBondContact O-N 3.36Å; G227-L230 PolarHBondContact O-N 3.07Å; R228-L230 PolarHBondContact O-N 2.84Å; L230-L233 PolarHBondContact O-N 2.82Å; L230-A234 PolarHBondContact O-N 2.93Å; L230-A234 VanDerWaalsContact O-N 3.07Å
231	C	86.8	Confident	86.4	Confident	21 Å²	21	42.5 Å²	42.5	14%	0.142	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-48.9	175.4	-71.9	0	0	0	0	111.3	C114 M118 G227 R228 L233 A234 F235	C114-C231 HydrophobicContact CB-CB 4.43Å; M118-C231 HydrophobicContact CG-CB 4.28Å; G227-C231 PolarHBondContact O-N 3.3Å; G227-C231 PolarHBondContact O-SG 3.21Å; G227-C231 VanDerWaalsContact O-SG 3.4Å; R228-C231 PolarHBondContact O-N 2.82Å; C231-L233 VanDerWaalsContact C-N 3.33Å; C231-L233 PolarHBondContact O-N 3.22Å; C231-A234 WeakPolarHBondContact O-CB 3.44Å; C231-A234 PolarHBondContact O-N 3.43Å; C231-A234 VanDerWaalsContact O-N 3.15Å; C231-F235 VanDerWaalsContact O-CD2 3.28Å; C231-F235 WeakPolarHBondContact O-CD2 3.25Å; C231-F235 PolarHBondContact O-N 3Å
232	L	89.1	Confident	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-46.2	177.3	-80.3	165.9	0	0	0	112.1	M118 R228 A234 F235 M236 Y366 Q369 F370 A373	M118-L232 HydrophobicContact CE-CD2 4.18Å; M118-L232 HydrophobicContact CE-CG 4.17Å; M118-L232 HydrophobicContact SD-CD1 4.44Å; M118-L232 HydrophobicContact SD-CD2 3.16Å; M118-L232 WeakPolarHBondContact SD-CD2 3.3Å; M118-L232 HydrophobicContact SD-CG 3.46Å; M118-L232 WeakPolarHBondContact SD-CG 3.46Å; R228-L232 HydrophobicContact CG-CD1 3.8Å; R228-L232 HydrophobicContact CG-CG 4.38Å; R228-L232 VanDerWaalsContact O-CB 3.27Å; R228-L232 WeakPolarHBondContact O-CB 3.2Å; R228-L232 WeakPolarHBondContact O-CD1 3.48Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.39Å; R228-L232 PolarHBondContact O-N 3.12Å; L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 3.2Å; L232-F235 PolarHBondContact O-N 3.5Å; L232-M236 WeakPolarHBondContact O-CB 3.2Å; L232-M236 VanDerWaalsContact O-CG 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.08Å; L232-M236 PolarHBondContact O-N 3.47Å; L232-Y366 HydrophobicContact CD2-CD1 3.58Å; L232-Y366 HydrophobicContact CD2-CE1 4.42Å; L232-Y366 HydrophobicContact CD2-CG 4.35Å; L232-Q369 HydrophobicContact CD1-CB 3.92Å; L232-Q369 HydrophobicContact CD2-CB 4.03Å; L232-F370 HydrophobicContact CB-CB 4.28Å; L232-F370 HydrophobicContact CB-CD2 3.98Å; L232-F370 HydrophobicContact CD1-CB 4.2Å; L232-A373 HydrophobicContact CD1-CB 4.42Å
233	L	87.7	Confident	85.7	Confident	43 Å²	43	45 Å²	45	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-41.4	178.1	-172.9	123.8	0	0	0	111.5	G229 L230 C231 M236 I237 F370	G229-L233 WeakPolarHBondContact O-CB 3.42Å; G229-L233 PolarHBondContact O-N 2.94Å; L230-L233 PolarHBondContact O-N 2.82Å; C231-L233 VanDerWaalsContact C-N 3.33Å; C231-L233 PolarHBondContact O-N 3.22Å; L233-M236 PolarHBondContact O-N 3.49Å; L233-I237 HydrophobicContact CD2-CD1 3.73Å; L233-I237 HydrophobicContact CG-CD1 4.21Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.44Å; L233-I237 PolarHBondContact O-N 3.11Å; L233-F370 HydrophobicContact CB-CE2 4.11Å; L233-F370 HydrophobicContact CD1-CE2 4.05Å; L233-F370 HydrophobicContact CD1-CZ 3.92Å
234	A	86.6	Confident	85.7	Confident	52 Å²	52	44.1 Å²	44.1	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-44.6	175.6	0	0	0	0	0	112.5	L230 C231 L232 I237 W238	L230-A234 PolarHBondContact O-N 2.93Å; L230-A234 VanDerWaalsContact O-N 3.07Å; C231-A234 WeakPolarHBondContact O-CB 3.44Å; C231-A234 PolarHBondContact O-N 3.43Å; C231-A234 VanDerWaalsContact O-N 3.15Å; L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 3.2Å; A234-I237 PolarHBondContact O-N 3.02Å; A234-W238 PolarHBondContact O-N 3.16Å
235	F	85.7	Confident	85.5	Confident	34 Å²	34	45.1 Å²	45.1	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-36	176.5	-82.1	-81	0	0	0	112.9	L115 M118 C231 L232 W238 G239 Y366	L115-F235 HydrophobicContact CD2-CE2 4.16Å; L115-F235 HydrophobicContact CD2-CZ 4.42Å; M118-F235 HydrophobicContact CB-CD2 3.87Å; M118-F235 HydrophobicContact CB-CE2 3.68Å; M118-F235 HydrophobicContact CB-CZ 4.24Å; M118-F235 HydrophobicContact CG-CD2 3.97Å; M118-F235 HydrophobicContact CG-CE2 4.05Å; C231-F235 VanDerWaalsContact O-CD2 3.28Å; C231-F235 WeakPolarHBondContact O-CD2 3.25Å; C231-F235 PolarHBondContact O-N 3Å; L232-F235 PolarHBondContact O-N 3.5Å; F235-W238 AromaticContact CD1-CE3 3.84Å; F235-W238 HydrophobicContact CD1-CE3 3.84Å; F235-W238 HydrophobicContact CD1-CZ3 4.18Å; F235-W238 HydrophobicContact CE1-CE3 4.1Å; F235-W238 HydrophobicContact CE1-CZ3 4.07Å; F235-W238 PolarHBondContact O-N 2.89Å; F235-G239 PolarHBondContact O-N 3.4Å; F235-Y366 HydrophobicContact CB-CD2 4.42Å; F235-Y366 HydrophobicContact CB-CE1 4.21Å; F235-Y366 HydrophobicContact CB-CE2 4.08Å; F235-Y366 HydrophobicContact CG-CE1 4.48Å
236	M	85.7	Confident	85.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-45.5	175.3	-73.3	177.8	68.8	0	0	111.6	L232 L233 W238 G239 S240 T244 T247 F363 Q367 F370	L232-M236 WeakPolarHBondContact O-CB 3.2Å; L232-M236 VanDerWaalsContact O-CG 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.08Å; L232-M236 PolarHBondContact O-N 3.47Å; L233-M236 PolarHBondContact O-N 3.49Å; M236-W238 VanDerWaalsContact C-N 3.26Å; M236-W238 PolarHBondContact O-N 3.12Å; M236-G239 PolarHBondContact O-N 3.23Å; M236-S240 PolarHBondContact O-N 3.32Å; M236-T244 HydrophobicContact CB-CG2 4.18Å; M236-T244 PolarHBondContact O-OG1 3.31Å; M236-T247 HydrophobicContact CE-CG2 4Å; M236-T247 VanDerWaalsContact CE-OG1 3.32Å; M236-T247 WeakPolarHBondContact CE-OG1 3.45Å; M236-F363 HydrophobicContact CB-CE2 4.23Å; M236-F363 HydrophobicContact CE-CE1 4.4Å; M236-F363 HydrophobicContact CE-CE2 3.87Å; M236-F363 HydrophobicContact CE-CZ 3.61Å; M236-F363 HydrophobicContact CG-CE2 4.39Å; M236-Q367 HydrophobicContact CE-CB 4.05Å; M236-Q367 HydrophobicContact CE-CG 4.36Å; M236-F370 HydrophobicContact SD-CB 3.88Å; M236-F370 HydrophobicContact SD-CD1 4.35Å; M236-F370 HydrophobicContact SD-CG 4.03Å
237	I	86.1	Confident	85	Confident	39 Å²	39	42.3 Å²	42.3	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-40.1	175	-67.2	167.5	0	0	0	110.5	L58 A62 L233 A234 T244	L58-I237 HydrophobicContact CD2-CG2 3.77Å; A62-I237 HydrophobicContact CB-CD1 4.11Å; L233-I237 HydrophobicContact CD2-CD1 3.73Å; L233-I237 HydrophobicContact CG-CD1 4.21Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.44Å; L233-I237 PolarHBondContact O-N 3.11Å; A234-I237 PolarHBondContact O-N 3.02Å; I237-T244 HydrophobicContact CG1-CG2 3.94Å; I237-T244 PolarHBondContact N-OG1 3.04Å
238	W	83.9	Confident	84.8	Confident	160 Å²	160	44.6 Å²	44.6	61%	0.606	23%	0.233	S	C	*	.	H	α-helix	trans	-66.4	-37.7	177.6	-175.3	37.7	0	0	0	113.1	F122 A234 F235 M236	F122-W238 HydrophobicContact CD2-CZ3 4.08Å; F122-W238 AromaticContact CE2-CH2 3.77Å; F122-W238 HydrophobicContact CE2-CH2 3.77Å; F122-W238 AromaticContact CE2-CZ3 3.77Å; F122-W238 HydrophobicContact CE2-CZ3 3.77Å; F122-W238 HydrophobicContact CZ-CH2 4.24Å; A234-W238 PolarHBondContact O-N 3.16Å; F235-W238 AromaticContact CD1-CE3 3.84Å; F235-W238 HydrophobicContact CD1-CE3 3.84Å; F235-W238 HydrophobicContact CD1-CZ3 4.18Å; F235-W238 HydrophobicContact CE1-CE3 4.1Å; F235-W238 HydrophobicContact CE1-CZ3 4.07Å; F235-W238 PolarHBondContact O-N 2.89Å; M236-W238 VanDerWaalsContact C-N 3.26Å; M236-W238 PolarHBondContact O-N 3.12Å
239	G	79.3	Confident	84.7	Confident	40 Å²	40	49 Å²	49	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-72.7	-53	179.3	0	0	0	0	0	113.7	F235 M236	F235-G239 PolarHBondContact O-N 3.4Å; M236-G239 PolarHBondContact O-N 3.23Å
240	S	82.2	Confident	84.4	Confident	17 Å²	17	49.5 Å²	49.5	12%	0.119	26%	0.261	C	S	.	.			trans	-159.5	116.3	175.5	178.4	0	0	0	0	111.2	M236 L243 T244	M236-S240 PolarHBondContact O-N 3.32Å; S240-L243 PolarHBondContact OG-N 2.82Å; S240-T244 WeakPolarHBondContact O-CB 3.3Å; S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 VanDerWaalsContact O-N 3.08Å; S240-T244 PolarHBondContact O-OG1 3.29Å
241	F	82.6	Confident	84.1	Confident	95 Å²	95	47.5 Å²	47.5	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.8	-178.4	-102.1	0	0	0	112.3	V61 L243 T244 V245	V61-F241 HydrophobicContact CG1-CE2 4.42Å; V61-F241 HydrophobicContact CG1-CZ 4.08Å; F241-L243 PolarHBondContact O-N 2.84Å; F241-T244 WeakPolarHBondContact O-CB 3.27Å; F241-T244 PolarHBondContact O-N 3.43Å; F241-V245 HydrophobicContact CD1-CG2 4.29Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 HydrophobicContact CE2-CG2 4.18Å; F241-V245 HydrophobicContact CZ-CG2 3.78Å; F241-V245 WeakPolarHBondContact O-CG2 3.44Å; F241-V245 PolarHBondContact O-N 3.03Å
242	Y	82.4	Confident	83.8	Confident	134 Å²	134	50.6 Å²	50.6	53%	0.525	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-48.6	-178.2	-178.6	-99.4	0	0	0	111.8	T244 V245 V246 L349	Y242-T244 VanDerWaalsContact C-N 3.31Å; Y242-T244 PolarHBondContact O-N 3.45Å; Y242-V245 PolarHBondContact O-N 2.99Å; Y242-V246 HydrophobicContact CE1-CG2 4.23Å; Y242-V246 WeakPolarHBondContact O-CG2 3.36Å; Y242-V246 PolarHBondContact O-N 3.32Å; Y242-L349 HydrophobicContact CD1-CD1 4Å; Y242-L349 HydrophobicContact CD1-CD2 4.01Å; Y242-L349 HydrophobicContact CE1-CD1 3.99Å
243	L	80.7	Confident	83.3	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-38	177.8	-65.5	173.3	0	0	0	110.8	S240 F241 V245 V246 T247 L349 L360 F363	S240-L243 PolarHBondContact OG-N 2.82Å; F241-L243 PolarHBondContact O-N 2.84Å; L243-V245 PolarHBondContact O-N 2.9Å; L243-V246 WeakPolarHBondContact O-CB 3.24Å; L243-V246 PolarHBondContact O-N 2.91Å; L243-T247 WeakPolarHBondContact O-CG2 3.21Å; L243-T247 PolarHBondContact O-N 3.5Å; L243-L349 HydrophobicContact CD1-CD2 4.36Å; L243-L349 HydrophobicContact CD2-CD2 4.25Å; L243-L349 HydrophobicContact CG-CD2 4.04Å; L243-L360 HydrophobicContact CD1-CD1 4.32Å; L243-F363 HydrophobicContact CB-CD1 4.01Å; L243-F363 HydrophobicContact CB-CD2 4.05Å; L243-F363 HydrophobicContact CB-CE1 3.5Å; L243-F363 HydrophobicContact CB-CE2 3.53Å; L243-F363 HydrophobicContact CB-CG 4.28Å; L243-F363 HydrophobicContact CB-CZ 3.25Å; L243-F363 HydrophobicContact CD1-CD1 3.91Å; L243-F363 HydrophobicContact CD1-CD2 4.29Å; L243-F363 HydrophobicContact CD1-CE1 4.25Å; L243-F363 HydrophobicContact CD1-CG 3.96Å; L243-F363 HydrophobicContact CG-CE1 4.39Å; L243-F363 HydrophobicContact CG-CZ 4.49Å
244	T	85.6	Confident	83	Confident	12 Å²	12	55.1 Å²	55.1	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-45	177.1	-55.9	0	0	0	0	112.4	M236 I237 S240 F241 Y242 V246 T247 L248	M236-T244 HydrophobicContact CB-CG2 4.18Å; M236-T244 PolarHBondContact O-OG1 3.31Å; I237-T244 HydrophobicContact CG1-CG2 3.94Å; I237-T244 PolarHBondContact N-OG1 3.04Å; S240-T244 WeakPolarHBondContact O-CB 3.3Å; S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 VanDerWaalsContact O-N 3.08Å; S240-T244 PolarHBondContact O-OG1 3.29Å; F241-T244 WeakPolarHBondContact O-CB 3.27Å; F241-T244 PolarHBondContact O-N 3.43Å; Y242-T244 VanDerWaalsContact C-N 3.31Å; Y242-T244 PolarHBondContact O-N 3.45Å; T244-V246 VanDerWaalsContact C-N 3.33Å; T244-V246 PolarHBondContact O-N 3.37Å; T244-T247 WeakPolarHBondContact CA-OG1 3.38Å; T244-T247 PolarHBondContact O-N 3.04Å; T244-T247 PolarHBondContact O-OG1 2.84Å; T244-L248 PolarHBondContact O-N 3.04Å
245	V	85.1	Confident	82.6	Confident	64 Å²	64	54.5 Å²	54.5	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-42.4	176.9	173.3	0	0	0	0	111.3	F241 Y242 L243 T247 L248 L249	F241-V245 HydrophobicContact CD1-CG2 4.29Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 HydrophobicContact CE2-CG2 4.18Å; F241-V245 HydrophobicContact CZ-CG2 3.78Å; F241-V245 WeakPolarHBondContact O-CG2 3.44Å; F241-V245 PolarHBondContact O-N 3.03Å; Y242-V245 PolarHBondContact O-N 2.99Å; L243-V245 PolarHBondContact O-N 2.9Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.3Å; V245-L248 PolarHBondContact O-N 3.38Å; V245-L249 WeakPolarHBondContact O-CB 3.46Å; V245-L249 PolarHBondContact O-N 2.96Å
246	V	83.2	Confident	82.3	Confident	36 Å²	36	58 Å²	58	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-45.1	175.1	171.7	0	0	0	0	110.8	Y242 L243 T244 L248 L249 S250 L345	Y242-V246 HydrophobicContact CE1-CG2 4.23Å; Y242-V246 WeakPolarHBondContact O-CG2 3.36Å; Y242-V246 PolarHBondContact O-N 3.32Å; L243-V246 WeakPolarHBondContact O-CB 3.24Å; L243-V246 PolarHBondContact O-N 2.91Å; T244-V246 VanDerWaalsContact C-N 3.33Å; T244-V246 PolarHBondContact O-N 3.37Å; V246-L248 PolarHBondContact O-N 3.33Å; V246-L249 PolarHBondContact O-N 3.04Å; V246-S250 PolarHBondContact O-N 3.23Å; V246-S250 VanDerWaalsContact O-N 3.09Å; V246-L345 HydrophobicContact CG1-CD1 3.72Å
247	T	82.8	Confident	82.1	Confident	4 Å²	4	62.7 Å²	62.7	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-43.9	177.6	62.5	0	0	0	0	111.9	M236 L243 T244 V245 L249 S250 L251 F363 Q367	M236-T247 HydrophobicContact CE-CG2 4Å; M236-T247 VanDerWaalsContact CE-OG1 3.32Å; M236-T247 WeakPolarHBondContact CE-OG1 3.45Å; L243-T247 WeakPolarHBondContact O-CG2 3.21Å; L243-T247 PolarHBondContact O-N 3.5Å; T244-T247 WeakPolarHBondContact CA-OG1 3.38Å; T244-T247 PolarHBondContact O-N 3.04Å; T244-T247 PolarHBondContact O-OG1 2.84Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.3Å; T247-L249 VanDerWaalsContact C-N 3.33Å; T247-L249 PolarHBondContact O-N 3.24Å; T247-S250 PolarHBondContact O-N 3.36Å; T247-S250 VanDerWaalsContact O-N 3.13Å; T247-S250 PolarHBondContact O-OG 2.97Å; T247-L251 WeakPolarHBondContact O-CG 3.44Å; T247-L251 PolarHBondContact O-N 3.21Å; T247-F363 HydrophobicContact CG2-CE1 3.74Å; T247-F363 HydrophobicContact CG2-CZ 3.63Å; T247-Q367 HydrophobicContact CG2-CG 3.81Å; T247-Q367 VanDerWaalsContact CG2-NE2 3.26Å
248	L	83.8	Confident	81.8	Confident	60 Å²	60	61.5 Å²	61.5	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-39.5	179.6	-164.6	77.9	0	0	0	111.8	P65 T244 V245 V246 S250 L251 P252	P65-L248 HydrophobicContact CB-CD2 3.93Å; P65-L248 HydrophobicContact CG-CD2 3.57Å; T244-L248 PolarHBondContact O-N 3.04Å; V245-L248 PolarHBondContact O-N 3.38Å; V246-L248 PolarHBondContact O-N 3.33Å; L248-S250 VanDerWaalsContact C-N 3.25Å; L248-S250 PolarHBondContact O-N 2.94Å; L248-L251 HydrophobicContact CD1-CD1 3.84Å; L248-L251 PolarHBondContact O-N 2.94Å; L248-P252 VanDerWaalsContact O-CD 3.29Å; L248-P252 WeakPolarHBondContact O-CD 3.42Å
249	L	84.6	Confident	81.7	Confident	140 Å²	140	62.1 Å²	62.1	73%	0.733	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-26.8	176.9	-167.7	67.8	0	0	0	112.5	V245 V246 T247 P252	V245-L249 WeakPolarHBondContact O-CB 3.46Å; V245-L249 PolarHBondContact O-N 2.96Å; V246-L249 PolarHBondContact O-N 3.04Å; T247-L249 VanDerWaalsContact C-N 3.33Å; T247-L249 PolarHBondContact O-N 3.24Å; L249-P252 WeakPolarHBondContact O-CD 3.39Å
250	S	81.1	Confident	81.9	Confident	22 Å²	22	68.9 Å²	68.9	15%	0.154	34%	0.336	C	S	.	.	H	α-helix	trans	-81.3	-21	178	75	0	0	0	0	114.4	V246 T247 L248 L253 L254 L338	V246-S250 PolarHBondContact O-N 3.23Å; V246-S250 VanDerWaalsContact O-N 3.09Å; T247-S250 PolarHBondContact O-N 3.36Å; T247-S250 VanDerWaalsContact O-N 3.13Å; T247-S250 PolarHBondContact O-OG 2.97Å; L248-S250 VanDerWaalsContact C-N 3.25Å; L248-S250 PolarHBondContact O-N 2.94Å; S250-L253 WeakPolarHBondContact O-CB 3.27Å; S250-L253 PolarHBondContact O-N 2.92Å; S250-L254 PolarHBondContact O-N 3.21Å; S250-L338 WeakPolarHBondContact OG-CD1 2.91Å
251	L	81.6	Confident	82	Confident	21 Å²	21	70.6 Å²	70.6	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-45.4	-178.5	-63.4	163.1	0	0	0	113.3	T247 L248 L253 L254 F255 F370	T247-L251 WeakPolarHBondContact O-CG 3.44Å; T247-L251 PolarHBondContact O-N 3.21Å; L248-L251 HydrophobicContact CD1-CD1 3.84Å; L248-L251 PolarHBondContact O-N 2.94Å; L251-L253 PolarHBondContact O-N 2.97Å; L251-L254 PolarHBondContact O-N 3.12Å; L251-L254 VanDerWaalsContact O-N 3.15Å; L251-F255 HydrophobicContact CB-CD2 4.35Å; L251-F255 HydrophobicContact CB-CE2 4.3Å; L251-F255 HydrophobicContact CD2-CE2 3.96Å; L251-F255 WeakPolarHBondContact O-CD2 3.37Å; L251-F255 PolarHBondContact O-N 3.42Å; L251-F370 HydrophobicContact CD1-CE1 3.78Å; L251-F370 HydrophobicContact CD1-CZ 4.49Å; L251-F370 HydrophobicContact CD2-CE1 4.39Å
252	P	79.7	Confident	81.9	Confident	85 Å²	85	66.4 Å²	66.4	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-57.3	-40.2	176.6	-24.8	34.5	0	0	0	112.2	L248 L249 F255 L256	L248-P252 VanDerWaalsContact O-CD 3.29Å; L248-P252 WeakPolarHBondContact O-CD 3.42Å; L249-P252 WeakPolarHBondContact O-CD 3.39Å; P252-F255 PolarHBondContact O-N 2.9Å; P252-L256 WeakPolarHBondContact O-CB 3.31Å; P252-L256 PolarHBondContact O-N 2.74Å
253	L	79.1	Confident	82	Confident	131 Å²	131	66.4 Å²	66.4	69%	0.686	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-42.8	177.7	-176.5	64.9	0	0	0	111.3	S250 L251 F255	S250-L253 WeakPolarHBondContact O-CB 3.27Å; S250-L253 PolarHBondContact O-N 2.92Å; L251-L253 PolarHBondContact O-N 2.97Å; L253-F255 VanDerWaalsContact C-N 3.35Å; L253-F255 PolarHBondContact O-N 3.08Å
254	L	80.6	Confident	82.3	Confident	8 Å²	8	70 Å²	70	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-38.4	179.3	-171.8	146	0	0	0	112.3	S250 L251 P258 M331 L338 T371	S250-L254 PolarHBondContact O-N 3.21Å; L251-L254 PolarHBondContact O-N 3.12Å; L251-L254 VanDerWaalsContact O-N 3.15Å; L254-P258 WeakPolarHBondContact O-CD 3.3Å; L254-P258 VanDerWaalsContact O-CG 3.24Å; L254-P258 WeakPolarHBondContact O-CG 3.37Å; L254-M331 HydrophobicContact CD2-CE 3.98Å; L254-M331 HydrophobicContact CD2-SD 4.34Å; L254-L338 HydrophobicContact CD1-CB 4.39Å; L254-L338 HydrophobicContact CD1-CD2 3.38Å; L254-L338 HydrophobicContact CD1-CG 4.49Å; L254-T371 HydrophobicContact CD1-CG2 3.91Å; L254-T371 HydrophobicContact CD2-CG2 4.39Å
255	F	78.4	Confident	82.4	Confident	39 Å²	39	72.5 Å²	72.5	17%	0.171	36%	0.36	C	S	.	.	H	α-helix	trans	-94.6	-25	-176	-65.9	-64.2	0	0	0	115	L251 P252 L253 R259 M331 V374 E375 L378	L251-F255 HydrophobicContact CB-CD2 4.35Å; L251-F255 HydrophobicContact CB-CE2 4.3Å; L251-F255 HydrophobicContact CD2-CE2 3.96Å; L251-F255 WeakPolarHBondContact O-CD2 3.37Å; L251-F255 PolarHBondContact O-N 3.42Å; P252-F255 PolarHBondContact O-N 2.9Å; L253-F255 VanDerWaalsContact C-N 3.35Å; L253-F255 PolarHBondContact O-N 3.08Å; F255-R259 WeakPolarHBondContact O-CB 3.49Å; F255-R259 PolarHBondContact O-N 3.05Å; F255-R259 VanDerWaalsContact O-N 3.13Å; F255-M331 HydrophobicContact CE1-CE 4.3Å; F255-V374 HydrophobicContact CE2-CB 4.39Å; F255-V374 HydrophobicContact CE2-CG1 3.53Å; F255-V374 HydrophobicContact CZ-CB 4.24Å; F255-V374 HydrophobicContact CZ-CG1 3.7Å; F255-E375 HydrophobicContact CE1-CB 4.16Å; F255-E375 HydrophobicContact CZ-CB 4.36Å; F255-L378 HydrophobicContact CB-CD1 4.41Å; F255-L378 HydrophobicContact CD1-CD1 3.55Å; F255-L378 HydrophobicContact CD2-CD1 3.69Å; F255-L378 HydrophobicContact CE1-CD1 3.6Å; F255-L378 HydrophobicContact CE2-CD1 3.74Å; F255-L378 HydrophobicContact CG-CD1 3.61Å; F255-L378 HydrophobicContact CZ-CD1 3.7Å
256	L	80.9	Confident	82.3	Confident	106 Å²	106	74.9 Å²	74.9	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-67.3	-41.7	-174.6	-168	78.5	0	0	0	112.4	P252 R260	P252-L256 WeakPolarHBondContact O-CB 3.31Å; P252-L256 PolarHBondContact O-N 2.74Å; L256-R260 PolarHBondContact O-N 2.92Å
257	L	80.9	Confident	82.6	Confident	102 Å²	102	76 Å²	76	53%	0.534	38%	0.376	S	S	.	.	H	α-helix	trans	-71.1	-51	-176.3	-165.7	75	0	0	0	111.7	R259 R260 L261 T330	L257-R259 VanDerWaalsContact C-N 3.29Å; L257-R259 PolarHBondContact O-N 3.23Å; L257-R260 PolarHBondContact O-N 3.46Å; L257-L261 PolarHBondContact O-N 2.99Å; L257-T330 HydrophobicContact CD2-CG2 3.56Å; L257-T330 HydrophobicContact CG-CG2 3.89Å
258	P	80.6	Confident	82.9	Confident	13 Å²	13	77.3 Å²	77.3	8%	0.084	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-37.1	173.9	-23.5	35.9	0	0	0	112.5	L254 R260 L261 G262 M331	L254-P258 WeakPolarHBondContact O-CD 3.3Å; L254-P258 VanDerWaalsContact O-CG 3.24Å; L254-P258 WeakPolarHBondContact O-CG 3.37Å; P258-R260 VanDerWaalsContact C-N 3.29Å; P258-R260 PolarHBondContact O-N 2.9Å; P258-L261 PolarHBondContact O-N 3.22Å; P258-G262 PolarHBondContact O-N 3.14Å; P258-M331 HydrophobicContact CB-SD 4.23Å; P258-M331 HydrophobicContact CG-SD 3.79Å
259	R	81.3	Confident	83.2	Confident	174 Å²	174	75.6 Å²	75.6	66%	0.657	38%	0.377	S	S	*	.	H	α-helix	trans	-59.2	-36.7	178.7	-178.7	-178.7	176.8	110.2	0.6	113.2	F255 L257 K263	F255-R259 WeakPolarHBondContact O-CB 3.49Å; F255-R259 PolarHBondContact O-N 3.05Å; F255-R259 VanDerWaalsContact O-N 3.13Å; L257-R259 VanDerWaalsContact C-N 3.29Å; L257-R259 PolarHBondContact O-N 3.23Å; R259-K263 PolarHBondContact O-N 3.07Å
260	R	83.4	Confident	83.4	Confident	181 Å²	181	73.3 Å²	73.3	68%	0.683	37%	0.369	S	S	*	.	H	α-helix	trans	-70.6	-41.2	177.9	-72.3	-164.3	-178.7	-175.6	2.1	111.6	L256 L257 P258 K263	L256-R260 PolarHBondContact O-N 2.92Å; L257-R260 PolarHBondContact O-N 3.46Å; P258-R260 VanDerWaalsContact C-N 3.29Å; P258-R260 PolarHBondContact O-N 2.9Å; R260-K263 PolarHBondContact O-N 3.3Å
261	L	83.3	Confident	83.9	Confident	54 Å²	54	77.8 Å²	77.8	28%	0.283	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-41.5	177.6	-64.9	173	0	0	0	111.7	L257 P258 K263 V264 Y265 T326 T330	L257-L261 PolarHBondContact O-N 2.99Å; P258-L261 PolarHBondContact O-N 3.22Å; L261-K263 VanDerWaalsContact C-N 3.26Å; L261-K263 PolarHBondContact O-N 2.74Å; L261-V264 WeakPolarHBondContact O-CA 3.45Å; L261-V264 WeakPolarHBondContact O-CB 3.38Å; L261-V264 PolarHBondContact O-N 3.2Å; L261-Y265 PolarHBondContact O-N 3.25Å; L261-T326 HydrophobicContact CD1-CG2 4.32Å; L261-T326 HydrophobicContact CD2-CG2 4.46Å; L261-T330 HydrophobicContact CD1-CG2 3.71Å; L261-T330 WeakPolarHBondContact CD1-OG1 3.03Å
262	G	81.9	Confident	84.4	Confident	7 Å²	7	77.5 Å²	77.5	7%	0.072	39%	0.385	C	S	.	.	H	α-helix	trans	-59.7	-32.6	177.1	0	0	0	0	0	113.3	P258 V264 Y265 Q266	P258-G262 PolarHBondContact O-N 3.14Å; G262-V264 VanDerWaalsContact C-N 3.35Å; G262-V264 PolarHBondContact O-N 3.11Å; G262-Y265 PolarHBondContact O-N 2.95Å; G262-Q266 WeakPolarHBondContact O-CB 3.47Å; G262-Q266 VanDerWaalsContact O-CG 3.28Å; G262-Q266 WeakPolarHBondContact O-CG 3.33Å; G262-Q266 PolarHBondContact O-N 3.37Å
263	K	84.4	Confident	84.8	Confident	134 Å²	134	80 Å²	80	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-63.6	-39.9	172.3	-76	-173.8	178	-170.2	0	112.6	R259 R260 L261 S267	R259-K263 PolarHBondContact O-N 3.07Å; R260-K263 PolarHBondContact O-N 3.3Å; L261-K263 VanDerWaalsContact C-N 3.26Å; L261-K263 PolarHBondContact O-N 2.74Å; K263-S267 WeakPolarHBondContact O-CB 3.26Å; K263-S267 PolarHBondContact O-N 2.95Å
264	V	86.8	Confident	85.3	Confident	78 Å²	78	78.9 Å²	78.9	47%	0.473	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-49.1	177.4	179.2	0	0	0	0	108.9	L261 G262 Q266 S267 L268	L261-V264 WeakPolarHBondContact O-CA 3.45Å; L261-V264 WeakPolarHBondContact O-CB 3.38Å; L261-V264 PolarHBondContact O-N 3.2Å; G262-V264 VanDerWaalsContact C-N 3.35Å; G262-V264 PolarHBondContact O-N 3.11Å; V264-Q266 PolarHBondContact O-N 3.39Å; V264-S267 PolarHBondContact O-N 3.25Å; V264-S267 PolarHBondContact O-OG 2.62Å; V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 WeakPolarHBondContact O-CD1 3.5Å; V264-L268 PolarHBondContact O-N 2.99Å; V264-L268 VanDerWaalsContact O-N 3.11Å
265	Y	86.9	Confident	85.9	Confident	63 Å²	63	79.2 Å²	79.2	25%	0.247	38%	0.383	C	S	.	.	H	α-helix	trans	-53.8	-52.5	175.1	169.1	-115.1	0	0	0	112.1	L261 G262 S267 L268 A269 E320 A323 Y324 E327	L261-Y265 PolarHBondContact O-N 3.25Å; G262-Y265 PolarHBondContact O-N 2.95Å; Y265-S267 VanDerWaalsContact C-N 3.31Å; Y265-S267 PolarHBondContact O-N 2.65Å; Y265-L268 PolarHBondContact O-N 3.22Å; Y265-A269 PolarHBondContact O-N 3.3Å; Y265-E320 HydrophobicContact CD2-CG 4.03Å; Y265-E320 HydrophobicContact CE2-CG 3.67Å; Y265-A323 HydrophobicContact CD2-CB 4.46Å; Y265-Y324 HydrophobicContact CE2-CD2 4.3Å; Y265-E327 WeakPolarHBondContact CB-OE2 3.42Å; Y265-E327 WeakPolarHBondContact CD1-OE2 3.45Å
266	Q	83.9	Confident	86.5	Confident	115 Å²	115	81.3 Å²	81.3	54%	0.537	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-41.7	177.8	-76	177.4	-2.5	0	0	112.8	G262 V264 L268 A269 V270	G262-Q266 WeakPolarHBondContact O-CB 3.47Å; G262-Q266 VanDerWaalsContact O-CG 3.28Å; G262-Q266 WeakPolarHBondContact O-CG 3.33Å; G262-Q266 PolarHBondContact O-N 3.37Å; V264-Q266 PolarHBondContact O-N 3.39Å; Q266-L268 VanDerWaalsContact C-N 3.29Å; Q266-L268 PolarHBondContact O-N 3.16Å; Q266-A269 PolarHBondContact O-N 3.02Å; Q266-V270 WeakPolarHBondContact O-CG2 3.33Å; Q266-V270 PolarHBondContact O-N 3.47Å
267	S	89	Confident	86.9	Confident	58 Å²	58	78.9 Å²	78.9	41%	0.406	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-31.8	178.7	77.4	0	0	0	0	113.1	K263 V264 Y265 K271	K263-S267 WeakPolarHBondContact O-CB 3.26Å; K263-S267 PolarHBondContact O-N 2.95Å; V264-S267 PolarHBondContact O-N 3.25Å; V264-S267 PolarHBondContact O-OG 2.62Å; Y265-S267 VanDerWaalsContact C-N 3.31Å; Y265-S267 PolarHBondContact O-N 2.65Å; S267-K271 WeakPolarHBondContact O-CG 3.28Å
268	L	89.6	Confident	87.4	Confident	32 Å²	32	78.6 Å²	78.6	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-75.4	-42.6	174.8	-89.2	76.8	0	0	0	111	V264 Y265 Q266 V270 K271 V272 K319 E320	V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 WeakPolarHBondContact O-CD1 3.5Å; V264-L268 PolarHBondContact O-N 2.99Å; V264-L268 VanDerWaalsContact O-N 3.11Å; Y265-L268 PolarHBondContact O-N 3.22Å; Q266-L268 VanDerWaalsContact C-N 3.29Å; Q266-L268 PolarHBondContact O-N 3.16Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 3.1Å; L268-K271 WeakPolarHBondContact O-CB 3.5Å; L268-K271 PolarHBondContact O-N 2.97Å; L268-V272 PolarHBondContact O-N 2.94Å; L268-K319 VanDerWaalsContact CD2-C 3.42Å; L268-K319 HydrophobicContact CD2-CB 3.45Å; L268-K319 VanDerWaalsContact CD2-CB 3.45Å; L268-E320 HydrophobicContact CB-CB 4.28Å
269	A	88.5	Confident	88	Confident	24 Å²	24	78.1 Å²	78.1	20%	0.198	38%	0.383	C	S	.	.	H	α-helix	trans	-57.2	-41.5	177	0	0	0	0	0	111.8	Y265 Q266 K271 V272 Q273	Y265-A269 PolarHBondContact O-N 3.3Å; Q266-A269 PolarHBondContact O-N 3.02Å; A269-K271 PolarHBondContact O-N 3.28Å; A269-V272 PolarHBondContact O-N 3.28Å; A269-Q273 WeakPolarHBondContact O-CB 3.16Å; A269-Q273 PolarHBondContact O-N 3.19Å
270	V	89.5	Confident	88.5	Confident	92 Å²	92	73 Å²	73	56%	0.558	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-43.2	174.7	172	0	0	0	0	111.8	Q266 L268 Q273 E274	Q266-V270 WeakPolarHBondContact O-CG2 3.33Å; Q266-V270 PolarHBondContact O-N 3.47Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 3.1Å; V270-Q273 PolarHBondContact O-N 3.15Å; V270-E274 PolarHBondContact O-N 3.4Å
271	K	90.9	Very high	88.9	Confident	117 Å²	117	70.7 Å²	70.7	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-37.6	178.3	-67.8	174.8	-180	178.7	0	112.2	S267 L268 A269 E274 S275 L316	S267-K271 WeakPolarHBondContact O-CG 3.28Å; L268-K271 WeakPolarHBondContact O-CB 3.5Å; L268-K271 PolarHBondContact O-N 2.97Å; A269-K271 PolarHBondContact O-N 3.28Å; K271-E274 PolarHBondContact O-N 3.08Å; K271-S275 PolarHBondContact O-N 2.9Å; K271-L316 HydrophobicContact CB-CD2 3.53Å; K271-L316 HydrophobicContact CD-CD2 4.39Å
272	V	92.1	Very high	89.4	Confident	15 Å²	15	68.8 Å²	68.8	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-42.9	174.5	171.3	0	0	0	0	110.3	L268 A269 E274 S275 L276 M313 L316 E320	L268-V272 PolarHBondContact O-N 2.94Å; A269-V272 PolarHBondContact O-N 3.28Å; V272-E274 PolarHBondContact O-N 3.11Å; V272-S275 PolarHBondContact O-N 3.16Å; V272-L276 WeakPolarHBondContact O-CB 3.36Å; V272-L276 PolarHBondContact O-N 3.01Å; V272-M313 HydrophobicContact CG1-CG 4.5Å; V272-M313 HydrophobicContact CG1-SD 4.49Å; V272-L316 HydrophobicContact CG2-CB 3.68Å; V272-E320 VanDerWaalsContact CB-OE2 3.26Å; V272-E320 WeakPolarHBondContact CB-OE2 3.38Å; V272-E320 WeakPolarHBondContact CG1-OE2 3.46Å; V272-E320 HydrophobicContact CG2-CB 4.28Å; V272-E320 WeakPolarHBondContact CG2-OE2 3.43Å
273	Q	88.6	Confident	90	Very high	138 Å²	138	69.9 Å²	69.9	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-62.7	-39.6	175.9	-170.7	175.1	0.6	0	0	112.5	A269 V270 L276 A277	A269-Q273 WeakPolarHBondContact O-CB 3.16Å; A269-Q273 PolarHBondContact O-N 3.19Å; V270-Q273 PolarHBondContact O-N 3.15Å; Q273-L276 PolarHBondContact O-N 2.9Å; Q273-A277 WeakPolarHBondContact O-CB 3.28Å; Q273-A277 PolarHBondContact O-N 2.88Å
274	E	90.9	Very high	90.3	Very high	106 Å²	106	69 Å²	69	50%	0.495	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.9	-166	-165	146.7	0	0	111.9	V270 K271 V272 L276 A277 K278	V270-E274 PolarHBondContact O-N 3.4Å; K271-E274 PolarHBondContact O-N 3.08Å; V272-E274 PolarHBondContact O-N 3.11Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-A277 PolarHBondContact O-N 3.24Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 3.3Å; E274-K278 VanDerWaalsContact O-N 3.12Å; E274-K278 WeakPolarHBondContact OE1-CE 3.46Å; E274-K278 IonicContact OE1-NZ 3.77Å; E274-K278 PolarHBondContact OE1-NZ 3.29Å
275	S	91.5	Very high	90.6	Very high	15 Å²	15	70.7 Å²	70.7	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-38.7	175	-167.5	0	0	0	0	111.8	K271 V272 K278 S279	K271-S275 PolarHBondContact O-N 2.9Å; V272-S275 PolarHBondContact O-N 3.16Å; S275-K278 PolarHBondContact O-N 2.95Å; S275-S279 PolarHBondContact O-N 3.2Å; S275-S279 VanDerWaalsContact O-N 3.15Å
276	L	92.3	Very high	90.9	Very high	83 Å²	83	68.5 Å²	68.5	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-46.8	175.1	-178.4	63.5	0	0	0	110.5	V272 Q273 E274 K278 S279 T280 M313	V272-L276 WeakPolarHBondContact O-CB 3.36Å; V272-L276 PolarHBondContact O-N 3.01Å; Q273-L276 PolarHBondContact O-N 2.9Å; E274-L276 VanDerWaalsContact C-N 3.33Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 3.25Å; L276-S279 PolarHBondContact O-N 2.87Å; L276-S279 PolarHBondContact O-OG 3.08Å; L276-T280 PolarHBondContact O-N 3.01Å; L276-T280 PolarHBondContact O-OG1 3.18Å; L276-T280 VanDerWaalsContact O-OG1 3.11Å; L276-M313 HydrophobicContact CB-SD 4.23Å; L276-M313 HydrophobicContact CD1-SD 4.35Å
277	A	89.4	Confident	91.4	Very high	55 Å²	55	69 Å²	69	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-56.9	-41.4	177	0	0	0	0	0	112.3	Q273 E274 S279 T280 Q281	Q273-A277 WeakPolarHBondContact O-CB 3.28Å; Q273-A277 PolarHBondContact O-N 2.88Å; E274-A277 PolarHBondContact O-N 3.24Å; A277-S279 PolarHBondContact O-N 3.12Å; A277-T280 PolarHBondContact O-N 2.86Å; A277-Q281 WeakPolarHBondContact O-CB 3.5Å; A277-Q281 PolarHBondContact O-N 3.17Å
278	K	91.2	Very high	91.6	Very high	97 Å²	97	71 Å²	71	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-41.3	174.2	-70.4	170.8	-173.6	164.9	0	112.2	E274 S275 L276 Q281 V282	E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 3.3Å; E274-K278 VanDerWaalsContact O-N 3.12Å; E274-K278 WeakPolarHBondContact OE1-CE 3.46Å; E274-K278 IonicContact OE1-NZ 3.77Å; E274-K278 PolarHBondContact OE1-NZ 3.29Å; S275-K278 PolarHBondContact O-N 2.95Å; L276-K278 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 3.25Å; K278-Q281 PolarHBondContact O-N 3.4Å; K278-V282 PolarHBondContact O-N 3.28Å
279	S	92.9	Very high	91.8	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-40.3	176.4	71.5	0	0	0	0	112.4	S275 L276 A277 Q281 V282 A283 F306	S275-S279 PolarHBondContact O-N 3.2Å; S275-S279 VanDerWaalsContact O-N 3.15Å; L276-S279 PolarHBondContact O-N 2.87Å; L276-S279 PolarHBondContact O-OG 3.08Å; A277-S279 PolarHBondContact O-N 3.12Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 3.46Å; S279-V282 PolarHBondContact O-N 2.97Å; S279-A283 PolarHBondContact O-N 3.42Å; S279-A283 VanDerWaalsContact O-N 3.1Å; S279-F306 WeakPolarHBondContact O-CE2 3.37Å
280	T	92.6	Very high	92.1	Very high	66 Å²	66	73.3 Å²	73.3	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-38.9	174.8	-56.2	0	0	0	0	111.3	L276 A277 V282 A283 L284	L276-T280 PolarHBondContact O-N 3.01Å; L276-T280 PolarHBondContact O-OG1 3.18Å; L276-T280 VanDerWaalsContact O-OG1 3.11Å; A277-T280 PolarHBondContact O-N 2.86Å; T280-V282 PolarHBondContact O-N 2.82Å; T280-A283 PolarHBondContact O-N 3.33Å; T280-L284 HydrophobicContact CG2-CD1 4.11Å; T280-L284 HydrophobicContact CG2-CG 4.36Å; T280-L284 WeakPolarHBondContact O-CB 3.24Å; T280-L284 WeakPolarHBondContact O-CG 3.12Å; T280-L284 PolarHBondContact O-N 3.25Å
281	Q	91.7	Very high	92.4	Very high	132 Å²	132	73.8 Å²	73.8	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-61.4	-43.9	176.3	-174.8	178.2	-3.5	0	0	112.1	A277 K278 S279 A283 L284 E285	A277-Q281 WeakPolarHBondContact O-CB 3.5Å; A277-Q281 PolarHBondContact O-N 3.17Å; K278-Q281 PolarHBondContact O-N 3.4Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 3.46Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.22Å; Q281-L284 PolarHBondContact O-N 3.33Å; Q281-E285 WeakPolarHBondContact O-CB 3.46Å; Q281-E285 PolarHBondContact O-N 2.88Å
282	V	92.9	Very high	92.7	Very high	15 Å²	15	71.7 Å²	71.7	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-43.4	175.3	173.8	0	0	0	0	111	K278 S279 T280 E285 A286 K305 K309	K278-V282 PolarHBondContact O-N 3.28Å; S279-V282 PolarHBondContact O-N 2.97Å; T280-V282 PolarHBondContact O-N 2.82Å; V282-E285 PolarHBondContact O-N 3.21Å; V282-A286 PolarHBondContact O-N 3.33Å; V282-K305 HydrophobicContact CG1-CD 4.07Å; V282-K305 HydrophobicContact CG1-CG 4.13Å; V282-K309 HydrophobicContact CG2-CG 4.43Å
283	A	93.9	Very high	93	Very high	29 Å²	29	71.8 Å²	71.8	24%	0.24	40%	0.401	C	S	.	.	H	α-helix	trans	-63.5	-42.4	177	0	0	0	0	0	112.3	S279 T280 Q281 A286 L287 F306	S279-A283 PolarHBondContact O-N 3.42Å; S279-A283 VanDerWaalsContact O-N 3.1Å; T280-A283 PolarHBondContact O-N 3.33Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.22Å; A283-A286 PolarHBondContact O-N 3.32Å; A283-L287 VanDerWaalsContact O-CB 3.28Å; A283-L287 WeakPolarHBondContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.38Å; A283-F306 HydrophobicContact CB-CD2 4.25Å; A283-F306 HydrophobicContact CB-CE2 3.95Å
284	L	91.9	Very high	93.4	Very high	115 Å²	115	73.5 Å²	73.5	60%	0.602	40%	0.401	S	S	*	.	H	α-helix	trans	-62.5	-44.6	176.8	-76.1	171	0	0	0	111.7	T280 Q281 S288	T280-L284 HydrophobicContact CG2-CD1 4.11Å; T280-L284 HydrophobicContact CG2-CG 4.36Å; T280-L284 WeakPolarHBondContact O-CB 3.24Å; T280-L284 WeakPolarHBondContact O-CG 3.12Å; T280-L284 PolarHBondContact O-N 3.25Å; Q281-L284 PolarHBondContact O-N 3.33Å; L284-S288 WeakPolarHBondContact O-CB 3.5Å; L284-S288 PolarHBondContact O-N 3.1Å; L284-S288 PolarHBondContact O-OG 2.93Å
285	E	92.6	Very high	93.7	Very high	114 Å²	114	72.6 Å²	72.6	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-58.1	-52.9	176.9	-173.4	-179.5	-170.4	0	0	110.8	Q281 V282 S288 A289 K305	Q281-E285 WeakPolarHBondContact O-CB 3.46Å; Q281-E285 PolarHBondContact O-N 2.88Å; V282-E285 PolarHBondContact O-N 3.21Å; E285-S288 PolarHBondContact O-OG 3.25Å; E285-A289 PolarHBondContact O-N 2.82Å; E285-K305 IonicContact OE2-NZ 2.64Å
286	A	93.5	Very high	94	Very high	18 Å²	18	79.3 Å²	79.3	15%	0.149	43%	0.434	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-179	0	0	0	0	0	113.1	V282 A283 A289 M290 E302	V282-A286 PolarHBondContact O-N 3.33Å; A283-A286 PolarHBondContact O-N 3.32Å; A286-A289 CarbonylContact O-C 3.6Å; A286-M290 PolarHBondContact O-N 3Å; A286-E302 HydrophobicContact CB-CB 4.27Å; A286-E302 HydrophobicContact CB-CG 4.12Å
287	L	94.9	Very high	94.2	Very high	125 Å²	125	79 Å²	79	65%	0.654	44%	0.444	S	S	*	.	H	α-helix	trans	-73.9	-34.5	-177.7	-67.8	174.7	0	0	0	112.8	A283 A289 M290	A283-L287 VanDerWaalsContact O-CB 3.28Å; A283-L287 WeakPolarHBondContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.38Å; L287-A289 VanDerWaalsContact C-N 3.26Å; L287-A289 PolarHBondContact O-N 2.74Å; L287-M290 PolarHBondContact O-N 3.06Å
288	S	92.3	Very high	94.5	Very high	100 Å²	100	79.7 Å²	79.7	70%	0.699	44%	0.44	S	S	*	.	H	α-helix	trans	-66.4	-31.2	176.8	67.1	0	0	0	0	112.4	L284 E285	L284-S288 WeakPolarHBondContact O-CB 3.5Å; L284-S288 PolarHBondContact O-N 3.1Å; L284-S288 PolarHBondContact O-OG 2.93Å; E285-S288 PolarHBondContact O-OG 3.25Å
289	A	93.9	Very high	94.8	Very high	37 Å²	37	79.1 Å²	79.1	31%	0.306	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	33.2	178	0	0	0	0	0	112.5	E285 A286 L287 P291 T292 V293	E285-A289 PolarHBondContact O-N 2.82Å; A286-A289 CarbonylContact O-C 3.6Å; L287-A289 VanDerWaalsContact C-N 3.26Å; L287-A289 PolarHBondContact O-N 2.74Å; A289-P291 VanDerWaalsContact C-CD 3.44Å; A289-P291 VanDerWaalsContact C-N 3.34Å; A289-T292 WeakPolarHBondContact O-CA 3.21Å; A289-T292 VanDerWaalsContact O-CB 3.25Å; A289-T292 WeakPolarHBondContact O-CB 3.38Å; A289-T292 PolarHBondContact O-N 3.32Å; A289-V293 PolarHBondContact O-N 3.48Å
290	M	94.5	Very high	95	Very high	68 Å²	68	86.1 Å²	86.1	34%	0.335	47%	0.471	S	S	.	.	H	α-helix	trans	-53.8	-39.6	-175.6	-166.8	65.7	-169.5	0	0	114.5	A286 L287 T292 V293 R294	A286-M290 PolarHBondContact O-N 3Å; L287-M290 PolarHBondContact O-N 3.06Å; M290-T292 VanDerWaalsContact C-N 3.26Å; M290-T292 PolarHBondContact O-N 3.34Å; M290-V293 PolarHBondContact O-N 3.09Å; M290-R294 HydrophobicContact CE-CG 4Å; M290-R294 PolarHBondContact O-N 3.3Å
291	P	96.5	Very high	95.1	Very high	102 Å²	102	84.3 Å²	84.3	66%	0.662	47%	0.466	S	S	*	.	H	α-helix	trans	-60	-36.5	174.4	-24.5	35.6	0	0	0	113	A289 S295	A289-P291 VanDerWaalsContact C-CD 3.44Å; A289-P291 VanDerWaalsContact C-N 3.34Å; P291-S295 WeakPolarHBondContact O-CB 3.26Å; P291-S295 PolarHBondContact O-N 3.47Å; P291-S295 PolarHBondContact O-OG 3.47Å
292	T	97.1	Very high	95.3	Very high	73 Å²	73	79.9 Å²	79.9	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-47.4	176.6	-50.8	0	0	0	0	110.8	A289 M290 R294 S295 F296	A289-T292 WeakPolarHBondContact O-CA 3.21Å; A289-T292 VanDerWaalsContact O-CB 3.25Å; A289-T292 WeakPolarHBondContact O-CB 3.38Å; A289-T292 PolarHBondContact O-N 3.32Å; M290-T292 VanDerWaalsContact C-N 3.26Å; M290-T292 PolarHBondContact O-N 3.34Å; T292-R294 PolarHBondContact O-N 2.98Å; T292-S295 WeakPolarHBondContact CA-OG 3.14Å; T292-S295 PolarHBondContact O-N 3.42Å; T292-S295 VanDerWaalsContact O-N 3.16Å; T292-S295 PolarHBondContact O-OG 3.25Å; T292-F296 HydrophobicContact CG2-CD2 3.73Å; T292-F296 HydrophobicContact CG2-CE2 3.73Å; T292-F296 WeakPolarHBondContact O-CD2 3.44Å; T292-F296 PolarHBondContact O-N 2.87Å
293	V	97.5	Very high	95.5	Very high	17 Å²	17	81.6 Å²	81.6	10%	0.103	46%	0.461	C	S	.	.	H	α-helix	trans	-56.4	-43.9	176.8	179.9	0	0	0	0	110.6	A289 M290 F296 A297 N298 E299 E302	A289-V293 PolarHBondContact O-N 3.48Å; M290-V293 PolarHBondContact O-N 3.09Å; V293-F296 PolarHBondContact O-N 3.27Å; V293-A297 PolarHBondContact O-N 3.03Å; V293-A297 VanDerWaalsContact O-N 3.1Å; V293-N298 PolarHBondContact O-N 3.03Å; V293-E299 HydrophobicContact CG1-CG 4.24Å; V293-E302 HydrophobicContact CG1-CG 4.32Å; V293-E302 HydrophobicContact CG2-CG 4.45Å
294	R	96.8	Very high	95.6	Very high	173 Å²	173	86.7 Å²	86.7	65%	0.653	48%	0.48	S	S	*	.	H	α-helix	trans	-67.8	-40.9	176	-74.8	-158.5	169.3	-177	0.3	113.6	M290 T292 F296 A297	M290-R294 HydrophobicContact CE-CG 4Å; M290-R294 PolarHBondContact O-N 3.3Å; T292-R294 PolarHBondContact O-N 2.98Å; R294-F296 PolarHBondContact O-N 3.5Å; R294-A297 PolarHBondContact O-N 3.34Å; R294-A297 VanDerWaalsContact O-N 3.12Å
295	S	97.5	Very high	95.8	Very high	88 Å²	88	84.8 Å²	84.8	62%	0.615	47%	0.467	S	S	*	.	H	α-helix	trans	-64.4	-28	180	66.6	0	0	0	0	112.3	P291 T292	P291-S295 WeakPolarHBondContact O-CB 3.26Å; P291-S295 PolarHBondContact O-N 3.47Å; P291-S295 PolarHBondContact O-OG 3.47Å; T292-S295 WeakPolarHBondContact CA-OG 3.14Å; T292-S295 PolarHBondContact O-N 3.42Å; T292-S295 VanDerWaalsContact O-N 3.16Å; T292-S295 PolarHBondContact O-OG 3.25Å
296	F	97.2	Very high	95.9	Very high	155 Å²	155	82.8 Å²	82.8	68%	0.68	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1.9	176	-71	-74.7	0	0	0	114	T292 V293 R294 N298	T292-F296 HydrophobicContact CG2-CD2 3.73Å; T292-F296 HydrophobicContact CG2-CE2 3.73Å; T292-F296 WeakPolarHBondContact O-CD2 3.44Å; T292-F296 PolarHBondContact O-N 2.87Å; V293-F296 PolarHBondContact O-N 3.27Å; R294-F296 PolarHBondContact O-N 3.5Å; F296-N298 HydrophobicContact CB-CB 4.5Å; F296-N298 PolarHBondContact O-N 3.25Å
297	A	96.8	Very high	96	Very high	78 Å²	78	89.5 Å²	89.5	65%	0.645	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	39.5	-176.6	0	0	0	0	0	113.7	V293 R294 E299	V293-A297 PolarHBondContact O-N 3.03Å; V293-A297 VanDerWaalsContact O-N 3.1Å; R294-A297 PolarHBondContact O-N 3.34Å; R294-A297 VanDerWaalsContact O-N 3.12Å; A297-E299 VanDerWaalsContact CA-OE2 3.31Å; A297-E299 WeakPolarHBondContact CA-OE2 3.47Å
298	N	96.5	Very high	96.1	Very high	69 Å²	69	88.9 Å²	88.9	37%	0.369	47%	0.472	S	S	.	.			trans	-100.9	23.6	-173.6	-166.1	44.9	0	0	0	113.4	V293 F296 E300 G301 E302	V293-N298 PolarHBondContact O-N 3.03Å; F296-N298 HydrophobicContact CB-CB 4.5Å; F296-N298 PolarHBondContact O-N 3.25Å; N298-E300 VanDerWaalsContact C-N 3.33Å; N298-E300 PolarHBondContact O-N 3.13Å; N298-G301 PolarHBondContact O-N 3.13Å; N298-E302 PolarHBondContact ND2-OE1 2.86Å; N298-E302 PolarHBondContact O-N 3.31Å; N298-E302 VanDerWaalsContact O-N 3.08Å
299	E	96.6	Very high	96.1	Very high	85 Å²	85	86.9 Å²	86.9	40%	0.397	45%	0.45	S	S	.	.	H	α-helix	trans	-59.9	-42.8	-178	-63	89.8	160.4	0	0	112.2	V293 A297 A303	V293-E299 HydrophobicContact CG1-CG 4.24Å; A297-E299 VanDerWaalsContact CA-OE2 3.31Å; A297-E299 WeakPolarHBondContact CA-OE2 3.47Å; E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.05Å
300	E	97	Very high	96.1	Very high	149 Å²	149	87.9 Å²	87.9	70%	0.696	45%	0.45	S	S	*	.	H	α-helix	trans	-69.9	-35.5	179.7	-165.7	61.5	-147.2	0	0	111.8	N298 A303 Q304	N298-E300 VanDerWaalsContact C-N 3.33Å; N298-E300 PolarHBondContact O-N 3.13Å; E300-A303 PolarHBondContact O-N 3.42Å; E300-Q304 WeakPolarHBondContact O-CB 3.48Å; E300-Q304 PolarHBondContact O-N 3.11Å
301	G	95.6	Very high	96.2	Very high	28 Å²	28	88.9 Å²	88.9	29%	0.289	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-45.6	176.6	0	0	0	0	0	112.2	N298 Q304 K305	N298-G301 PolarHBondContact O-N 3.13Å; G301-Q304 PolarHBondContact O-N 3.26Å; G301-K305 WeakPolarHBondContact O-CB 3.42Å; G301-K305 PolarHBondContact O-N 2.94Å
302	E	96.6	Very high	95.9	Very high	40 Å²	40	87.8 Å²	87.8	19%	0.187	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-36.9	174.4	-68.7	-55.9	148	0	0	112	A286 V293 N298 Q304 K305 F306	A286-E302 HydrophobicContact CB-CB 4.27Å; A286-E302 HydrophobicContact CB-CG 4.12Å; V293-E302 HydrophobicContact CG1-CG 4.32Å; V293-E302 HydrophobicContact CG2-CG 4.45Å; N298-E302 PolarHBondContact ND2-OE1 2.86Å; N298-E302 PolarHBondContact O-N 3.31Å; N298-E302 VanDerWaalsContact O-N 3.08Å; E302-Q304 PolarHBondContact O-N 2.74Å; E302-K305 PolarHBondContact O-N 3.14Å; E302-K305 IonicContact OE2-NZ 3.41Å; E302-F306 WeakPolarHBondContact O-CB 3.5Å; E302-F306 PolarHBondContact O-N 3.48Å
303	A	95.8	Very high	95.8	Very high	51 Å²	51	85.6 Å²	85.6	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-42.3	174.2	0	0	0	0	0	112.1	E299 E300 F306 R307	E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.05Å; E300-A303 PolarHBondContact O-N 3.42Å; A303-F306 PolarHBondContact O-N 3.44Å; A303-R307 WeakPolarHBondContact O-CB 2.98Å; A303-R307 PolarHBondContact O-N 3.42Å
304	Q	96.8	Very high	95.6	Very high	135 Å²	135	90.2 Å²	90.2	63%	0.631	44%	0.444	S	S	*	.	H	α-helix	trans	-66.7	-42.5	176.7	-173.1	172.9	10.8	0	0	112	E300 G301 E302 F306 R307 Q308	E300-Q304 WeakPolarHBondContact O-CB 3.48Å; E300-Q304 PolarHBondContact O-N 3.11Å; G301-Q304 PolarHBondContact O-N 3.26Å; E302-Q304 PolarHBondContact O-N 2.74Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 2.6Å; Q304-R307 WeakPolarHBondContact O-CB 3.43Å; Q304-R307 PolarHBondContact O-N 3.43Å; Q304-Q308 PolarHBondContact O-N 3.03Å
305	K	95.1	Very high	95.4	Very high	75 Å²	75	85.2 Å²	85.2	33%	0.326	43%	0.434	S	S	.	.	H	α-helix	trans	-60.1	-43.7	175.1	-175	-177.5	171.5	-165.9	0	111.4	V282 E285 G301 E302 Q308 K309	V282-K305 HydrophobicContact CG1-CD 4.07Å; V282-K305 HydrophobicContact CG1-CG 4.13Å; E285-K305 IonicContact OE2-NZ 2.64Å; G301-K305 WeakPolarHBondContact O-CB 3.42Å; G301-K305 PolarHBondContact O-N 2.94Å; E302-K305 PolarHBondContact O-N 3.14Å; E302-K305 IonicContact OE2-NZ 3.41Å; K305-Q308 PolarHBondContact O-N 3.03Å; K305-K309 PolarHBondContact O-N 3.33Å
306	F	95.9	Very high	95.2	Very high	73 Å²	73	83.7 Å²	83.7	32%	0.32	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-43.4	174.6	-173.8	-104	0	0	0	111.9	S279 A283 E302 A303 Q304 Q308 K309 L310	S279-F306 WeakPolarHBondContact O-CE2 3.37Å; A283-F306 HydrophobicContact CB-CD2 4.25Å; A283-F306 HydrophobicContact CB-CE2 3.95Å; E302-F306 WeakPolarHBondContact O-CB 3.5Å; E302-F306 PolarHBondContact O-N 3.48Å; A303-F306 PolarHBondContact O-N 3.44Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 2.6Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; F306-Q308 PolarHBondContact O-N 3.27Å; F306-K309 PolarHBondContact O-N 3.48Å; F306-L310 HydrophobicContact CD1-CD1 3.86Å; F306-L310 HydrophobicContact CD1-CG 4.28Å; F306-L310 HydrophobicContact CE1-CD1 3.51Å; F306-L310 HydrophobicContact CE1-CD2 4.37Å; F306-L310 HydrophobicContact CE1-CG 3.99Å; F306-L310 HydrophobicContact CZ-CD1 4.27Å; F306-L310 HydrophobicContact CZ-CD2 4.33Å; F306-L310 HydrophobicContact CZ-CG 4.36Å; F306-L310 PolarHBondContact O-N 3.34Å
307	R	96	Very high	94.9	Very high	159 Å²	159	79.7 Å²	79.7	60%	0.6	40%	0.404	S	S	*	.	H	α-helix	trans	-59.4	-42.6	176.1	-177.7	177.8	179.3	142.1	-2.8	112.4	A303 Q304 K309 L310 E311	A303-R307 WeakPolarHBondContact O-CB 2.98Å; A303-R307 PolarHBondContact O-N 3.42Å; Q304-R307 WeakPolarHBondContact O-CB 3.43Å; Q304-R307 PolarHBondContact O-N 3.43Å; R307-K309 VanDerWaalsContact C-N 3.31Å; R307-K309 PolarHBondContact O-N 3.37Å; R307-L310 WeakPolarHBondContact O-CB 3.16Å; R307-L310 PolarHBondContact O-N 2.65Å; R307-E311 IonicContact CZ-OE1 3.84Å; R307-E311 IonicContact NE-OE1 3.06Å; R307-E311 PolarHBondContact NE-OE1 3.38Å; R307-E311 IonicContact NH2-OE1 3.69Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 3.39Å
308	Q	95.6	Very high	94.7	Very high	112 Å²	112	83.7 Å²	83.7	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-43.3	176.7	-175.2	-179.9	2.5	0	0	111.2	Q304 K305 F306 L310 E311 E312	Q304-Q308 PolarHBondContact O-N 3.03Å; K305-Q308 PolarHBondContact O-N 3.03Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; F306-Q308 PolarHBondContact O-N 3.27Å; Q308-L310 VanDerWaalsContact C-N 3.33Å; Q308-L310 PolarHBondContact O-N 3.01Å; Q308-E311 PolarHBondContact O-N 3.37Å; Q308-E311 VanDerWaalsContact O-N 3.17Å; Q308-E312 WeakPolarHBondContact O-CG 3.36Å; Q308-E312 PolarHBondContact O-N 3.45Å
309	K	93.6	Very high	94.6	Very high	58 Å²	58	87.2 Å²	87.2	25%	0.252	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-37.4	176.1	-68.6	-72.2	156.5	-145.5	0	112.6	V282 K305 F306 R307 E312 M313	V282-K309 HydrophobicContact CG2-CG 4.43Å; K305-K309 PolarHBondContact O-N 3.33Å; F306-K309 PolarHBondContact O-N 3.48Å; R307-K309 VanDerWaalsContact C-N 3.31Å; R307-K309 PolarHBondContact O-N 3.37Å; K309-E312 IonicContact NZ-OE1 2.85Å; K309-E312 PolarHBondContact NZ-OE1 2.72Å; K309-E312 IonicContact NZ-OE2 2.9Å; K309-E312 PolarHBondContact NZ-OE2 3.45Å; K309-M313 PolarHBondContact O-N 2.69Å
310	L	94.2	Very high	94.3	Very high	58 Å²	58	84.6 Å²	84.6	30%	0.304	41%	0.407	S	S	.	.	H	α-helix	trans	-66.9	-38.4	172.8	-68.3	178.9	0	0	0	112.3	F306 R307 Q308 M313 K314	F306-L310 HydrophobicContact CD1-CD1 3.86Å; F306-L310 HydrophobicContact CD1-CG 4.28Å; F306-L310 HydrophobicContact CE1-CD1 3.51Å; F306-L310 HydrophobicContact CE1-CD2 4.37Å; F306-L310 HydrophobicContact CE1-CG 3.99Å; F306-L310 HydrophobicContact CZ-CD1 4.27Å; F306-L310 HydrophobicContact CZ-CD2 4.33Å; F306-L310 HydrophobicContact CZ-CG 4.36Å; F306-L310 PolarHBondContact O-N 3.34Å; R307-L310 WeakPolarHBondContact O-CB 3.16Å; R307-L310 PolarHBondContact O-N 2.65Å; Q308-L310 VanDerWaalsContact C-N 3.33Å; Q308-L310 PolarHBondContact O-N 3.01Å; L310-M313 HydrophobicContact CD2-CE 4.1Å; L310-M313 WeakPolarHBondContact O-CB 3.37Å; L310-M313 PolarHBondContact O-N 2.95Å; L310-K314 WeakPolarHBondContact O-CG 3.47Å; L310-K314 PolarHBondContact O-N 3.21Å
311	E	94.9	Very high	94.1	Very high	89 Å²	89	79.8 Å²	79.8	42%	0.416	39%	0.393	S	S	.	.	H	α-helix	trans	-68.4	-36.4	177.6	-74.4	-179.4	-177.1	0	0	112.6	R307 Q308 M313 K314 P315	R307-E311 IonicContact CZ-OE1 3.84Å; R307-E311 IonicContact NE-OE1 3.06Å; R307-E311 PolarHBondContact NE-OE1 3.38Å; R307-E311 IonicContact NH2-OE1 3.69Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 3.39Å; Q308-E311 PolarHBondContact O-N 3.37Å; Q308-E311 VanDerWaalsContact O-N 3.17Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.82Å; E311-K314 HydrophobicContact CG-CD 4.39Å; E311-K314 PolarHBondContact O-N 2.69Å; E311-P315 WeakPolarHBondContact O-CD 3.44Å
312	E	91.8	Very high	94	Very high	79 Å²	79	84.3 Å²	84.3	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-35.9	169.3	-72.7	171.4	-166.8	0	0	112	Q308 K309 P315 L316	Q308-E312 WeakPolarHBondContact O-CG 3.36Å; Q308-E312 PolarHBondContact O-N 3.45Å; K309-E312 IonicContact NZ-OE1 2.85Å; K309-E312 PolarHBondContact NZ-OE1 2.72Å; K309-E312 IonicContact NZ-OE2 2.9Å; K309-E312 PolarHBondContact NZ-OE2 3.45Å; E312-P315 WeakPolarHBondContact O-CD 3.33Å; E312-P315 WeakPolarHBondContact O-CG 3.36Å; E312-L316 WeakPolarHBondContact O-CD1 3.3Å
313	M	93.3	Very high	93.7	Very high	27 Å²	27	83.1 Å²	83.1	13%	0.133	41%	0.407	C	S	.	.	H	α-helix	trans	-75.5	-34.4	179.8	-171.2	-178.3	70.5	0	0	113.3	V272 L276 K309 L310 E311 L316 N317	V272-M313 HydrophobicContact CG1-CG 4.5Å; V272-M313 HydrophobicContact CG1-SD 4.49Å; L276-M313 HydrophobicContact CB-SD 4.23Å; L276-M313 HydrophobicContact CD1-SD 4.35Å; K309-M313 PolarHBondContact O-N 2.69Å; L310-M313 HydrophobicContact CD2-CE 4.1Å; L310-M313 WeakPolarHBondContact O-CB 3.37Å; L310-M313 PolarHBondContact O-N 2.95Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.82Å; M313-L316 PolarHBondContact O-N 2.97Å; M313-L316 VanDerWaalsContact O-N 3.08Å; M313-N317 PolarHBondContact O-N 3.34Å
314	K	93.4	Very high	93.4	Very high	113 Å²	113	86.6 Å²	86.6	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-47.9	-50.4	-177.1	-80.1	175.9	-172.8	170.8	0	114.9	L310 E311 L316 N317 K318	L310-K314 WeakPolarHBondContact O-CG 3.47Å; L310-K314 PolarHBondContact O-N 3.21Å; E311-K314 HydrophobicContact CG-CD 4.39Å; E311-K314 PolarHBondContact O-N 2.69Å; K314-L316 VanDerWaalsContact C-N 3.32Å; K314-L316 PolarHBondContact O-N 2.67Å; K314-N317 PolarHBondContact O-N 3.15Å; K314-K318 WeakPolarHBondContact O-CG 3.49Å; K314-K318 PolarHBondContact O-N 3.3Å
315	P	94.4	Very high	93.1	Very high	69 Å²	69	83.7 Å²	83.7	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-66.9	-32.3	-179.2	25.8	-34.9	0	0	0	112.8	E311 E312 K319	E311-P315 WeakPolarHBondContact O-CD 3.44Å; E312-P315 WeakPolarHBondContact O-CD 3.33Å; E312-P315 WeakPolarHBondContact O-CG 3.36Å; P315-K319 WeakPolarHBondContact O-CG 3.15Å; P315-K319 PolarHBondContact O-N 3.11Å
316	L	91.4	Very high	92.9	Very high	55 Å²	55	82.9 Å²	82.9	29%	0.288	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-46.2	173.7	-76.1	99.1	0	0	0	110.9	K271 V272 E312 M313 K314 K318 K319 E320	K271-L316 HydrophobicContact CB-CD2 3.53Å; K271-L316 HydrophobicContact CD-CD2 4.39Å; V272-L316 HydrophobicContact CG2-CB 3.68Å; E312-L316 WeakPolarHBondContact O-CD1 3.3Å; M313-L316 PolarHBondContact O-N 2.97Å; M313-L316 VanDerWaalsContact O-N 3.08Å; K314-L316 VanDerWaalsContact C-N 3.32Å; K314-L316 PolarHBondContact O-N 2.67Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.91Å; L316-K319 PolarHBondContact O-N 2.92Å; L316-K319 VanDerWaalsContact O-N 3.08Å; L316-E320 PolarHBondContact O-N 2.82Å
317	N	91.6	Very high	92.4	Very high	72 Å²	72	81.8 Å²	81.8	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-39.5	179.5	-164.1	-1.5	0	0	0	111.7	M313 K314 K319 E320 A321	M313-N317 PolarHBondContact O-N 3.34Å; K314-N317 PolarHBondContact O-N 3.15Å; N317-K319 PolarHBondContact O-N 2.7Å; N317-E320 PolarHBondContact O-N 3.28Å; N317-A321 WeakPolarHBondContact O-CB 3.31Å; N317-A321 PolarHBondContact O-N 3.35Å
318	K	93.5	Very high	91.9	Very high	161 Å²	161	77 Å²	77	70%	0.7	39%	0.386	S	S	*	.	H	α-helix	trans	-59.3	-43.1	172.2	-75.1	-177.4	179.5	-177.1	0	112.8	K314 L316 L322	K314-K318 WeakPolarHBondContact O-CG 3.49Å; K314-K318 PolarHBondContact O-N 3.3Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.91Å; K318-L322 PolarHBondContact O-N 2.95Å; K318-L322 VanDerWaalsContact O-N 3.11Å
319	K	92.8	Very high	91.6	Very high	144 Å²	144	80.1 Å²	80.1	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-67.9	-38.8	177.6	-70.8	177.7	177.3	178.2	0	111.5	L268 P315 L316 N317 L322 A323	L268-K319 VanDerWaalsContact CD2-C 3.42Å; L268-K319 HydrophobicContact CD2-CB 3.45Å; L268-K319 VanDerWaalsContact CD2-CB 3.45Å; P315-K319 WeakPolarHBondContact O-CG 3.15Å; P315-K319 PolarHBondContact O-N 3.11Å; L316-K319 PolarHBondContact O-N 2.92Å; L316-K319 VanDerWaalsContact O-N 3.08Å; N317-K319 PolarHBondContact O-N 2.7Å; K319-L322 PolarHBondContact O-N 2.91Å; K319-A323 WeakPolarHBondContact O-CB 3.5Å; K319-A323 PolarHBondContact O-N 2.81Å
320	E	91.6	Very high	91.3	Very high	29 Å²	29	78.7 Å²	78.7	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-62.4	-48.6	175.3	-176.6	-173.2	174.7	0	0	111	Y265 L268 V272 L316 N317 L322 A323 Y324	Y265-E320 HydrophobicContact CD2-CG 4.03Å; Y265-E320 HydrophobicContact CE2-CG 3.67Å; L268-E320 HydrophobicContact CB-CB 4.28Å; V272-E320 VanDerWaalsContact CB-OE2 3.26Å; V272-E320 WeakPolarHBondContact CB-OE2 3.38Å; V272-E320 WeakPolarHBondContact CG1-OE2 3.46Å; V272-E320 HydrophobicContact CG2-CB 4.28Å; V272-E320 WeakPolarHBondContact CG2-OE2 3.43Å; L316-E320 PolarHBondContact O-N 2.82Å; N317-E320 PolarHBondContact O-N 3.28Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 2.94Å; E320-A323 WeakPolarHBondContact O-CB 2.88Å; E320-A323 PolarHBondContact O-N 3.03Å; E320-A323 VanDerWaalsContact O-N 3.12Å; E320-Y324 WeakPolarHBondContact O-CB 3.31Å; E320-Y324 PolarHBondContact O-N 2.85Å
321	A	91.9	Very high	90.7	Very high	49 Å²	49	78 Å²	78	41%	0.405	39%	0.386	S	S	.	.	H	α-helix	trans	-58.1	-42.5	177.9	0	0	0	0	0	111.9	N317 Y324 V325	N317-A321 WeakPolarHBondContact O-CB 3.31Å; N317-A321 PolarHBondContact O-N 3.35Å; A321-Y324 PolarHBondContact O-N 2.96Å; A321-V325 WeakPolarHBondContact O-CG2 3.44Å; A321-V325 PolarHBondContact O-N 2.64Å
322	L	93.3	Very high	90.2	Very high	123 Å²	123	77 Å²	77	64%	0.644	39%	0.389	S	S	*	.	H	α-helix	trans	-66.7	-39.7	176.5	-171.5	136.8	0	0	0	112.2	K318 K319 E320 T326	K318-L322 PolarHBondContact O-N 2.95Å; K318-L322 VanDerWaalsContact O-N 3.11Å; K319-L322 PolarHBondContact O-N 2.91Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 2.94Å; L322-T326 WeakPolarHBondContact O-CB 3.36Å; L322-T326 PolarHBondContact O-N 2.8Å; L322-T326 PolarHBondContact O-OG1 3.23Å
323	A	90.8	Very high	90	Very high	15 Å²	15	77.1 Å²	77.1	12%	0.124	39%	0.394	C	S	.	.	H	α-helix	trans	-63.2	-43	174.8	0	0	0	0	0	111.7	Y265 K319 E320 T326 E327	Y265-A323 HydrophobicContact CD2-CB 4.46Å; K319-A323 WeakPolarHBondContact O-CB 3.5Å; K319-A323 PolarHBondContact O-N 2.81Å; E320-A323 WeakPolarHBondContact O-CB 2.88Å; E320-A323 PolarHBondContact O-N 3.03Å; E320-A323 VanDerWaalsContact O-N 3.12Å; A323-T326 PolarHBondContact O-N 3.13Å; A323-E327 PolarHBondContact O-N 3.39Å
324	Y	88.9	Confident	89.5	Confident	123 Å²	123	76.9 Å²	76.9	48%	0.482	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-50.2	176	172.4	-102.8	0	0	0	112	Y265 E320 A321 T326 E327 V328	Y265-Y324 HydrophobicContact CE2-CD2 4.3Å; E320-Y324 WeakPolarHBondContact O-CB 3.31Å; E320-Y324 PolarHBondContact O-N 2.85Å; A321-Y324 PolarHBondContact O-N 2.96Å; Y324-T326 VanDerWaalsContact C-N 3.27Å; Y324-T326 PolarHBondContact O-N 3.5Å; Y324-E327 PolarHBondContact O-N 2.92Å; Y324-V328 HydrophobicContact CD2-CG2 4.18Å; Y324-V328 HydrophobicContact CE1-CG2 4.08Å; Y324-V328 HydrophobicContact CE2-CG2 3.71Å; Y324-V328 WeakPolarHBondContact O-CG2 3.04Å; Y324-V328 PolarHBondContact O-N 3.22Å
325	V	91.5	Very high	88.9	Confident	74 Å²	74	72.4 Å²	72.4	45%	0.448	38%	0.381	S	S	.	.	H	α-helix	trans	-58.9	-42.9	177.5	172.8	0	0	0	0	110.6	A321 E327 V328 W329	A321-V325 WeakPolarHBondContact O-CG2 3.44Å; A321-V325 PolarHBondContact O-N 2.64Å; V325-E327 PolarHBondContact O-N 3.1Å; V325-V328 PolarHBondContact O-N 2.88Å; V325-W329 WeakPolarHBondContact O-CB 3.25Å; V325-W329 VanDerWaalsContact O-CD1 3.25Å; V325-W329 PolarHBondContact O-N 3.18Å
326	T	89.8	Confident	88.4	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.362	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-41.1	178.7	-54	0	0	0	0	111.8	L261 L322 A323 Y324 T330	L261-T326 HydrophobicContact CD1-CG2 4.32Å; L261-T326 HydrophobicContact CD2-CG2 4.46Å; L322-T326 WeakPolarHBondContact O-CB 3.36Å; L322-T326 PolarHBondContact O-N 2.8Å; L322-T326 PolarHBondContact O-OG1 3.23Å; A323-T326 PolarHBondContact O-N 3.13Å; Y324-T326 VanDerWaalsContact C-N 3.27Å; Y324-T326 PolarHBondContact O-N 3.5Å; T326-T330 VanDerWaalsContact O-CB 3.31Å; T326-T330 WeakPolarHBondContact O-CB 2.84Å; T326-T330 PolarHBondContact O-N 2.82Å; T326-T330 PolarHBondContact O-OG1 3.08Å
327	E	85.9	Confident	88.1	Confident	50 Å²	50	78.5 Å²	78.5	23%	0.234	41%	0.407	C	S	.	.	H	α-helix	trans	-63.2	-52.3	176	-178.7	178.8	-173.4	0	0	111.8	Y265 A323 Y324 V325 W329 T330 M331	Y265-E327 WeakPolarHBondContact CB-OE2 3.42Å; Y265-E327 WeakPolarHBondContact CD1-OE2 3.45Å; A323-E327 PolarHBondContact O-N 3.39Å; Y324-E327 PolarHBondContact O-N 2.92Å; V325-E327 PolarHBondContact O-N 3.1Å; E327-W329 VanDerWaalsContact C-N 3.34Å; E327-W329 PolarHBondContact O-N 3.01Å; E327-T330 PolarHBondContact O-N 3.39Å; E327-M331 PolarHBondContact O-N 3.37Å
328	V	85.7	Confident	87.7	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.345	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-42.6	-179	173.8	0	0	0	0	111.5	Y324 V325 M331 S332	Y324-V328 HydrophobicContact CD2-CG2 4.18Å; Y324-V328 HydrophobicContact CE1-CG2 4.08Å; Y324-V328 HydrophobicContact CE2-CG2 3.71Å; Y324-V328 WeakPolarHBondContact O-CG2 3.04Å; Y324-V328 PolarHBondContact O-N 3.22Å; V325-V328 PolarHBondContact O-N 2.88Å; V328-M331 PolarHBondContact O-N 3.33Å; V328-S332 WeakPolarHBondContact O-CB 3.41Å; V328-S332 PolarHBondContact O-N 3.46Å; V328-S332 PolarHBondContact O-OG 2.84Å
329	W	89.1	Confident	87.1	Confident	178 Å²	178	74.1 Å²	74.1	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-64.5	-44.7	176.4	-90.1	69.8	0	0	0	112	V325 E327 M331 S332 V333	V325-W329 WeakPolarHBondContact O-CB 3.25Å; V325-W329 VanDerWaalsContact O-CD1 3.25Å; V325-W329 PolarHBondContact O-N 3.18Å; E327-W329 VanDerWaalsContact C-N 3.34Å; E327-W329 PolarHBondContact O-N 3.01Å; W329-M331 VanDerWaalsContact C-N 3.32Å; W329-M331 PolarHBondContact O-N 2.92Å; W329-S332 PolarHBondContact O-N 3.25Å; W329-V333 WeakPolarHBondContact O-CB 3.12Å; W329-V333 VanDerWaalsContact O-CG2 3.32Å; W329-V333 WeakPolarHBondContact O-CG2 3.49Å; W329-V333 PolarHBondContact O-N 3.39Å
330	T	86.7	Confident	86.8	Confident	29 Å²	29	71.9 Å²	71.9	18%	0.178	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-42.2	178.8	-57.8	0	0	0	0	111.2	L257 L261 T326 E327 S334	L257-T330 HydrophobicContact CD2-CG2 3.56Å; L257-T330 HydrophobicContact CG-CG2 3.89Å; L261-T330 HydrophobicContact CD1-CG2 3.71Å; L261-T330 WeakPolarHBondContact CD1-OG1 3.03Å; T326-T330 VanDerWaalsContact O-CB 3.31Å; T326-T330 WeakPolarHBondContact O-CB 2.84Å; T326-T330 PolarHBondContact O-N 2.82Å; T326-T330 PolarHBondContact O-OG1 3.08Å; E327-T330 PolarHBondContact O-N 3.39Å; T330-S334 VanDerWaalsContact O-CB 3.28Å; T330-S334 WeakPolarHBondContact O-CB 3.17Å; T330-S334 PolarHBondContact O-N 2.84Å; T330-S334 PolarHBondContact O-OG 2.9Å; T330-S334 VanDerWaalsContact O-OG 3.12Å
331	M	83.4	Confident	86.5	Confident	42 Å²	42	72 Å²	72	21%	0.207	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-47.4	174.7	-170.9	59.2	175.8	0	0	111.3	L254 F255 P258 E327 V328 W329 S334 G335 E375	L254-M331 HydrophobicContact CD2-CE 3.98Å; L254-M331 HydrophobicContact CD2-SD 4.34Å; F255-M331 HydrophobicContact CE1-CE 4.3Å; P258-M331 HydrophobicContact CB-SD 4.23Å; P258-M331 HydrophobicContact CG-SD 3.79Å; E327-M331 PolarHBondContact O-N 3.37Å; V328-M331 PolarHBondContact O-N 3.33Å; W329-M331 VanDerWaalsContact C-N 3.32Å; W329-M331 PolarHBondContact O-N 2.92Å; M331-S334 PolarHBondContact O-N 3.48Å; M331-S334 PolarHBondContact O-OG 3.04Å; M331-G335 PolarHBondContact O-N 3.46Å; M331-E375 VanDerWaalsContact CE-CD 3.41Å; M331-E375 HydrophobicContact CE-CG 3.89Å; M331-E375 VanDerWaalsContact CE-OE1 3.32Å; M331-E375 WeakPolarHBondContact CE-OE1 3.43Å
332	S	83.7	Confident	86	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-46.7	-179.6	-60	0	0	0	0	112.8	V328 W329 G335 M336	V328-S332 WeakPolarHBondContact O-CB 3.41Å; V328-S332 PolarHBondContact O-N 3.46Å; V328-S332 PolarHBondContact O-OG 2.84Å; W329-S332 PolarHBondContact O-N 3.25Å; S332-G335 PolarHBondContact O-N 3.36Å; S332-M336 PolarHBondContact O-N 3Å
333	V	86.9	Confident	85.5	Confident	81 Å²	81	69.7 Å²	69.7	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-65.9	-43.2	179.3	172.1	0	0	0	0	111.1	W329 G335 M336 L337	W329-V333 WeakPolarHBondContact O-CB 3.12Å; W329-V333 VanDerWaalsContact O-CG2 3.32Å; W329-V333 WeakPolarHBondContact O-CG2 3.49Å; W329-V333 PolarHBondContact O-N 3.39Å; V333-G335 VanDerWaalsContact C-N 3.32Å; V333-G335 PolarHBondContact O-N 3.01Å; V333-M336 PolarHBondContact O-N 3.28Å; V333-L337 WeakPolarHBondContact O-CB 3.48Å; V333-L337 PolarHBondContact O-N 2.87Å
334	S	83.3	Confident	85.4	Confident	22 Å²	22	76.2 Å²	76.2	15%	0.154	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-40.1	177.1	70.7	0	0	0	0	112.1	T330 M331 L337 L338	T330-S334 VanDerWaalsContact O-CB 3.28Å; T330-S334 WeakPolarHBondContact O-CB 3.17Å; T330-S334 PolarHBondContact O-N 2.84Å; T330-S334 PolarHBondContact O-OG 2.9Å; T330-S334 VanDerWaalsContact O-OG 3.12Å; M331-S334 PolarHBondContact O-N 3.48Å; M331-S334 PolarHBondContact O-OG 3.04Å; S334-L337 PolarHBondContact O-N 3.25Å; S334-L338 WeakPolarHBondContact O-CB 3.2Å; S334-L338 PolarHBondContact O-N 3.29Å
335	G	81.6	Confident	85.2	Confident	19 Å²	19	73 Å²	73	20%	0.196	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-37.8	174.4	0	0	0	0	0	113.2	M331 S332 V333 K339	M331-G335 PolarHBondContact O-N 3.46Å; S332-G335 PolarHBondContact O-N 3.36Å; V333-G335 VanDerWaalsContact C-N 3.32Å; V333-G335 PolarHBondContact O-N 3.01Å; G335-K339 WeakPolarHBondContact O-CG 3.31Å; G335-K339 PolarHBondContact O-N 3.48Å; G335-K339 VanDerWaalsContact O-N 3.14Å
336	M	84.2	Confident	84.9	Confident	130 Å²	130	69.4 Å²	69.4	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-66.9	-45.2	173.4	-81.3	-178.3	158.1	0	0	112.4	S332 V333 L338 K339 V340	S332-M336 PolarHBondContact O-N 3Å; V333-M336 PolarHBondContact O-N 3.28Å; M336-L338 VanDerWaalsContact C-N 3.26Å; M336-L338 PolarHBondContact O-N 3.43Å; M336-K339 WeakPolarHBondContact O-CB 3.27Å; M336-K339 PolarHBondContact O-N 3.33Å; M336-K339 VanDerWaalsContact O-N 3.14Å; M336-V340 WeakPolarHBondContact O-CG2 3.1Å; M336-V340 PolarHBondContact O-N 3.36Å
337	L	85.2	Confident	84.7	Confident	122 Å²	122	67.8 Å²	67.8	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-58.9	-42.1	177.8	-177.3	64.4	0	0	0	111	V333 S334 V340 G341	V333-L337 WeakPolarHBondContact O-CB 3.48Å; V333-L337 PolarHBondContact O-N 2.87Å; S334-L337 PolarHBondContact O-N 3.25Å; L337-V340 PolarHBondContact O-N 3.06Å; L337-G341 PolarHBondContact O-N 3.46Å
338	L	82.4	Confident	84.6	Confident	26 Å²	26	69 Å²	69	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-52.3	174	177.1	53.8	0	0	0	110.9	S250 L254 S334 M336 V340 G341 I342	S250-L338 WeakPolarHBondContact OG-CD1 2.91Å; L254-L338 HydrophobicContact CD1-CB 4.39Å; L254-L338 HydrophobicContact CD1-CD2 3.38Å; L254-L338 HydrophobicContact CD1-CG 4.49Å; S334-L338 WeakPolarHBondContact O-CB 3.2Å; S334-L338 PolarHBondContact O-N 3.29Å; M336-L338 VanDerWaalsContact C-N 3.26Å; M336-L338 PolarHBondContact O-N 3.43Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-V340 PolarHBondContact O-N 2.95Å; L338-G341 WeakPolarHBondContact O-CA 3.21Å; L338-G341 PolarHBondContact O-N 2.89Å; L338-I342 HydrophobicContact CD1-CD1 3.82Å; L338-I342 HydrophobicContact CD1-CG1 4.17Å; L338-I342 HydrophobicContact CG-CD1 3.84Å; L338-I342 WeakPolarHBondContact O-CD1 3.12Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 2.87Å
339	K	81.1	Confident	84.5	Confident	116 Å²	116	67.4 Å²	67.4	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-52.4	-48	177.9	-72.4	171.5	-170.1	175.6	0	112.7	G335 M336 G341 I342 L343	G335-K339 WeakPolarHBondContact O-CG 3.31Å; G335-K339 PolarHBondContact O-N 3.48Å; G335-K339 VanDerWaalsContact O-N 3.14Å; M336-K339 WeakPolarHBondContact O-CB 3.27Å; M336-K339 PolarHBondContact O-N 3.33Å; M336-K339 VanDerWaalsContact O-N 3.14Å; K339-G341 VanDerWaalsContact C-N 3.33Å; K339-G341 PolarHBondContact O-N 3.01Å; K339-I342 PolarHBondContact O-N 3.28Å; K339-L343 WeakPolarHBondContact O-CB 3.35Å; K339-L343 PolarHBondContact O-N 2.78Å
340	V	85.8	Confident	84.4	Confident	97 Å²	97	61.2 Å²	61.2	59%	0.588	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-41.8	178.3	175	0	0	0	0	110.9	M336 L337 L338 I342 L343 Y344	M336-V340 WeakPolarHBondContact O-CG2 3.1Å; M336-V340 PolarHBondContact O-N 3.36Å; L337-V340 PolarHBondContact O-N 3.06Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-V340 PolarHBondContact O-N 2.95Å; V340-I342 PolarHBondContact O-N 3.45Å; V340-L343 PolarHBondContact O-N 2.83Å; V340-Y344 WeakPolarHBondContact O-CB 3.32Å; V340-Y344 PolarHBondContact O-N 3.21Å
341	G	84.5	Confident	84.4	Confident	31 Å²	31	66 Å²	66	32%	0.32	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-43.9	177.3	0	0	0	0	0	113.6	L337 L338 K339 Y344 L345	L337-G341 PolarHBondContact O-N 3.46Å; L338-G341 WeakPolarHBondContact O-CA 3.21Å; L338-G341 PolarHBondContact O-N 2.89Å; K339-G341 VanDerWaalsContact C-N 3.33Å; K339-G341 PolarHBondContact O-N 3.01Å; G341-Y344 PolarHBondContact O-N 2.81Å; G341-L345 WeakPolarHBondContact O-CB 3.37Å; G341-L345 WeakPolarHBondContact O-CG 3.25Å; G341-L345 PolarHBondContact O-N 3.37Å
342	I	82.4	Confident	84.4	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-70.9	-39.4	177.7	-52.3	123.4	0	0	0	110.9	L338 K339 V340 Y344 L345 G346 F363 V364	L338-I342 HydrophobicContact CD1-CD1 3.82Å; L338-I342 HydrophobicContact CD1-CG1 4.17Å; L338-I342 HydrophobicContact CG-CD1 3.84Å; L338-I342 WeakPolarHBondContact O-CD1 3.12Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 2.87Å; K339-I342 PolarHBondContact O-N 3.28Å; V340-I342 PolarHBondContact O-N 3.45Å; I342-Y344 VanDerWaalsContact C-N 3.26Å; I342-Y344 PolarHBondContact O-N 3.38Å; I342-L345 PolarHBondContact O-N 3.26Å; I342-G346 WeakPolarHBondContact O-CA 3.3Å; I342-G346 PolarHBondContact O-N 3.23Å; I342-F363 HydrophobicContact CG2-CD1 4.29Å; I342-F363 HydrophobicContact CG2-CE1 4.13Å; I342-V364 HydrophobicContact CG2-CG2 4.45Å
343	L	83.7	Confident	84.2	Confident	115 Å²	115	73 Å²	73	60%	0.602	40%	0.4	S	S	*	.	H	α-helix	trans	-61.5	-40.4	178.2	-174.5	63.9	0	0	0	110.7	K339 V340 G347	K339-L343 WeakPolarHBondContact O-CB 3.35Å; K339-L343 PolarHBondContact O-N 2.78Å; V340-L343 PolarHBondContact O-N 2.83Å; L343-G347 WeakPolarHBondContact O-CA 3.36Å; L343-G347 PolarHBondContact O-N 3.44Å
344	Y	87.4	Confident	83.8	Confident	151 Å²	151	72.7 Å²	72.7	59%	0.592	41%	0.406	S	S	*	.	H	α-helix	trans	-65.4	-52.1	175.8	-175.9	-97.8	0	0	0	112.4	V340 G341 I342 G347 Q348	V340-Y344 WeakPolarHBondContact O-CB 3.32Å; V340-Y344 PolarHBondContact O-N 3.21Å; G341-Y344 PolarHBondContact O-N 2.81Å; I342-Y344 VanDerWaalsContact C-N 3.26Å; I342-Y344 PolarHBondContact O-N 3.38Å; Y344-G347 PolarHBondContact O-N 2.83Å; Y344-Q348 PolarHBondContact O-N 3.28Å; Y344-Q348 PolarHBondContact OH-NE2 3.44Å
345	L	85.9	Confident	83.6	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.288	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-42.2	-178.2	-69.9	171.9	0	0	0	112.6	V246 G341 I342 Q348 L349	V246-L345 HydrophobicContact CG1-CD1 3.72Å; G341-L345 WeakPolarHBondContact O-CB 3.37Å; G341-L345 WeakPolarHBondContact O-CG 3.25Å; G341-L345 PolarHBondContact O-N 3.37Å; I342-L345 PolarHBondContact O-N 3.26Å; L345-Q348 PolarHBondContact O-N 3.46Å; L345-L349 PolarHBondContact O-N 3.27Å; L345-L349 VanDerWaalsContact O-N 3.14Å
346	G	84.8	Confident	83.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-65.3	-40.4	174.7	0	0	0	0	0	112.1	I342 L349 V350	I342-G346 WeakPolarHBondContact O-CA 3.3Å; I342-G346 PolarHBondContact O-N 3.23Å; G346-L349 WeakPolarHBondContact O-CB 3.1Å; G346-L349 PolarHBondContact O-N 2.94Å; G346-L349 VanDerWaalsContact O-N 3.14Å; G346-V350 WeakPolarHBondContact O-CG2 3.3Å; G346-V350 PolarHBondContact O-N 3.46Å
347	G	84.4	Confident	83.7	Confident	24 Å²	24	69 Å²	69	25%	0.247	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-43.5	173	0	0	0	0	0	112.6	L343 Y344 L349 V350 V351	L343-G347 WeakPolarHBondContact O-CA 3.36Å; L343-G347 PolarHBondContact O-N 3.44Å; Y344-G347 PolarHBondContact O-N 2.83Å; G347-L349 VanDerWaalsContact C-N 3.29Å; G347-L349 PolarHBondContact O-N 2.75Å; G347-V350 PolarHBondContact O-N 2.89Å; G347-V351 WeakPolarHBondContact O-CG2 3.01Å; G347-V351 PolarHBondContact O-N 2.92Å
348	Q	85.5	Confident	83.6	Confident	76 Å²	76	63.2 Å²	63.2	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-35.2	173.4	-72.3	-155.8	-6.6	0	0	112.9	Y344 L345 V351 R352	Y344-Q348 PolarHBondContact O-N 3.28Å; Y344-Q348 PolarHBondContact OH-NE2 3.44Å; L345-Q348 PolarHBondContact O-N 3.46Å; Q348-V351 PolarHBondContact O-N 2.97Å; Q348-R352 VanDerWaalsContact O-CG 3.32Å; Q348-R352 WeakPolarHBondContact O-CG 3.19Å; Q348-R352 PolarHBondContact O-N 3Å; Q348-R352 VanDerWaalsContact O-N 3.1Å
349	L	83.8	Confident	83.8	Confident	23 Å²	23	65.7 Å²	65.7	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-36.7	174.9	-111.8	69.2	0	0	0	112.5	Y242 L243 L345 G346 G347 R352 G353 A354 V355	Y242-L349 HydrophobicContact CD1-CD1 4Å; Y242-L349 HydrophobicContact CD1-CD2 4.01Å; Y242-L349 HydrophobicContact CE1-CD1 3.99Å; L243-L349 HydrophobicContact CD1-CD2 4.36Å; L243-L349 HydrophobicContact CD2-CD2 4.25Å; L243-L349 HydrophobicContact CG-CD2 4.04Å; L345-L349 PolarHBondContact O-N 3.27Å; L345-L349 VanDerWaalsContact O-N 3.14Å; G346-L349 WeakPolarHBondContact O-CB 3.1Å; G346-L349 PolarHBondContact O-N 2.94Å; G346-L349 VanDerWaalsContact O-N 3.14Å; G347-L349 VanDerWaalsContact C-N 3.29Å; G347-L349 PolarHBondContact O-N 2.75Å; L349-R352 PolarHBondContact O-N 3.36Å; L349-G353 PolarHBondContact O-N 2.9Å; L349-A354 HydrophobicContact CG-CB 4.47Å; L349-A354 PolarHBondContact O-N 3.48Å; L349-A354 VanDerWaalsContact O-N 3.1Å; L349-V355 HydrophobicContact CB-CG2 4.44Å; L349-V355 HydrophobicContact CD2-CG2 3.84Å; L349-V355 HydrophobicContact CG-CG2 4.46Å
350	V	85.7	Confident	84	Confident	49 Å²	49	61.1 Å²	61.1	30%	0.297	35%	0.353	S	S	.	.	H	α-helix	trans	-68.9	-43.8	174.9	173.8	0	0	0	0	110.9	G346 G347 R352 G353 L360	G346-V350 WeakPolarHBondContact O-CG2 3.3Å; G346-V350 PolarHBondContact O-N 3.46Å; G347-V350 PolarHBondContact O-N 2.89Å; V350-R352 PolarHBondContact O-N 2.97Å; V350-G353 PolarHBondContact O-N 3.43Å; V350-L360 HydrophobicContact CG2-CB 4.03Å; V350-L360 HydrophobicContact CG2-CD2 3.64Å; V350-L360 HydrophobicContact CG2-CG 4.39Å
351	V	86.6	Confident	84.1	Confident	130 Å²	130	58.9 Å²	58.9	79%	0.788	34%	0.34	S	S	*	.	H	α-helix	trans	-60.4	-34.3	176.5	172.5	0	0	0	0	111.8	G347 Q348 G353	G347-V351 WeakPolarHBondContact O-CG2 3.01Å; G347-V351 PolarHBondContact O-N 2.92Å; Q348-V351 PolarHBondContact O-N 2.97Å; V351-G353 PolarHBondContact O-N 3.45Å
352	R	84.8	Confident	84.3	Confident	191 Å²	191	57.8 Å²	57.8	72%	0.721	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.9	175.2	-69.1	176.5	-174.1	-172.9	3.9	114	Q348 L349 V350 A354	Q348-R352 VanDerWaalsContact O-CG 3.32Å; Q348-R352 WeakPolarHBondContact O-CG 3.19Å; Q348-R352 PolarHBondContact O-N 3Å; Q348-R352 VanDerWaalsContact O-N 3.1Å; L349-R352 PolarHBondContact O-N 3.36Å; V350-R352 PolarHBondContact O-N 2.97Å; R352-A354 PolarHBondContact O-N 3.31Å
353	G	77.8	Confident	84.6	Confident	65 Å²	65	57.6 Å²	57.6	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	10.8	-178.9	0	0	0	0	0	115	L349 V350 V351	L349-G353 PolarHBondContact O-N 2.9Å; V350-G353 PolarHBondContact O-N 3.43Å; V351-G353 PolarHBondContact O-N 3.45Å
354	A	78.3	Confident	84.8	Confident	76 Å²	76	55 Å²	55	63%	0.628	32%	0.315	S	S	*	.	S	Bend	trans	-79.2	-22.3	-176.9	0	0	0	0	0	113.2	L349 R352	L349-A354 HydrophobicContact CG-CB 4.47Å; L349-A354 PolarHBondContact O-N 3.48Å; L349-A354 VanDerWaalsContact O-N 3.1Å; R352-A354 PolarHBondContact O-N 3.31Å
355	V	80.9	Confident	84.9	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.127	30%	0.3	C	S	.	.	S	Bend	trans	-141.1	139.4	-180	-178.4	0	0	0	0	109.1	L349 N359	L349-V355 HydrophobicContact CB-CG2 4.44Å; L349-V355 HydrophobicContact CD2-CG2 3.84Å; L349-V355 HydrophobicContact CG-CG2 4.46Å; V355-N359 HydrophobicContact CG1-CB 3.58Å
356	S	83.4	Confident	85.1	Confident	37 Å²	37	48.3 Å²	48.3	26%	0.259	29%	0.288	S	S	.	.			trans	-71.9	158.7	174.8	72.2	0	0	0	0	112.3	D129 G358 N359 L360	D129-S356 VanDerWaalsContact OD2-CB 3.32Å; D129-S356 WeakPolarHBondContact OD2-CB 3.34Å; D129-S356 PolarHBondContact OD2-OG 2.96Å; S356-G358 VanDerWaalsContact C-N 3.27Å; S356-G358 PolarHBondContact O-N 3.48Å; S356-N359 PolarHBondContact O-N 2.97Å; S356-N359 WeakPolarHBondContact OG-CB 3.44Å; S356-N359 PolarHBondContact OG-N 3.22Å; S356-N359 VanDerWaalsContact OG-N 3.12Å; S356-L360 PolarHBondContact O-N 3.13Å
357	S	83.7	Confident	85.2	Confident	36 Å²	36	48.6 Å²	48.6	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-54.4	-41.6	173.2	33.7	0	0	0	0	112.9	D129 L132 L360 V361	D129-S357 PolarHBondContact OD1-OG 3.32Å; L132-S357 VanDerWaalsContact CD1-OG 3.27Å; L132-S357 WeakPolarHBondContact CD1-OG 3.41Å; S357-L360 WeakPolarHBondContact O-CB 3.48Å; S357-L360 PolarHBondContact O-N 2.85Å; S357-V361 WeakPolarHBondContact O-CG2 3.19Å; S357-V361 PolarHBondContact O-N 3.11Å
358	G	83.8	Confident	85.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.1	-40.8	-179.3	0	0	0	0	0	112.6	G125 D129 S356 L360 V361 S362	G125-G358 WeakPolarHBondContact CA-O 3.49Å; G125-G358 VanDerWaalsContact O-CA 3.23Å; G125-G358 WeakPolarHBondContact O-CA 3.33Å; D129-G358 VanDerWaalsContact CG-CA 3.46Å; D129-G358 VanDerWaalsContact CG-N 3.28Å; D129-G358 WeakPolarHBondContact OD1-CA 3.48Å; D129-G358 PolarHBondContact OD1-N 2.9Å; D129-G358 WeakPolarHBondContact OD2-CA 3.49Å; D129-G358 PolarHBondContact OD2-N 3.49Å; S356-G358 VanDerWaalsContact C-N 3.27Å; S356-G358 PolarHBondContact O-N 3.48Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.43Å; G358-V361 PolarHBondContact O-N 3.07Å; G358-S362 PolarHBondContact O-N 2.92Å; G358-S362 PolarHBondContact O-OG 3.31Å
359	N	84.8	Confident	85.5	Confident	77 Å²	77	48.8 Å²	48.8	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-35.5	172.9	-76.7	-8.1	0	0	0	111.7	V355 S356 F363	V355-N359 HydrophobicContact CG1-CB 3.58Å; S356-N359 PolarHBondContact O-N 2.97Å; S356-N359 WeakPolarHBondContact OG-CB 3.44Å; S356-N359 PolarHBondContact OG-N 3.22Å; S356-N359 VanDerWaalsContact OG-N 3.12Å; N359-F363 VanDerWaalsContact O-CB 3.23Å; N359-F363 WeakPolarHBondContact O-CB 3.38Å; N359-F363 PolarHBondContact O-N 2.97Å
360	L	86.1	Confident	85.7	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-43.5	172.8	-179.3	63.8	0	0	0	111.5	L243 V350 S356 S357 G358 F363 V364	L243-L360 HydrophobicContact CD1-CD1 4.32Å; V350-L360 HydrophobicContact CG2-CB 4.03Å; V350-L360 HydrophobicContact CG2-CD2 3.64Å; V350-L360 HydrophobicContact CG2-CG 4.39Å; S356-L360 PolarHBondContact O-N 3.13Å; S357-L360 WeakPolarHBondContact O-CB 3.48Å; S357-L360 PolarHBondContact O-N 2.85Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.43Å; L360-F363 PolarHBondContact O-N 2.95Å; L360-V364 HydrophobicContact CD1-CG2 4.36Å; L360-V364 WeakPolarHBondContact O-CG2 3.49Å; L360-V364 PolarHBondContact O-N 3.18Å
361	V	88.8	Confident	85.7	Confident	50 Å²	50	47.2 Å²	47.2	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-48	176.1	170.3	0	0	0	0	111.4	T124 T128 S357 G358 F363 V364 L365	T124-V361 HydrophobicContact CG2-CG1 4.16Å; T128-V361 HydrophobicContact CG2-CG2 4.21Å; S357-V361 WeakPolarHBondContact O-CG2 3.19Å; S357-V361 PolarHBondContact O-N 3.11Å; G358-V361 PolarHBondContact O-N 3.07Å; V361-F363 VanDerWaalsContact C-N 3.29Å; V361-F363 PolarHBondContact O-N 3.03Å; V361-V364 PolarHBondContact O-N 3.31Å; V361-L365 HydrophobicContact CG1-CD1 4.15Å; V361-L365 WeakPolarHBondContact O-CG 3.37Å; V361-L365 PolarHBondContact O-N 3.47Å
362	S	88.5	Confident	85.7	Confident	8 Å²	8	48.4 Å²	48.4	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-44	174	-66.3	0	0	0	0	111.5	P121 G125 G358 L365 Y366	P121-S362 WeakPolarHBondContact O-CB 3.17Å; P121-S362 PolarHBondContact O-OG 3.2Å; G125-S362 VanDerWaalsContact CA-OG 3.26Å; G125-S362 WeakPolarHBondContact CA-OG 3.26Å; G125-S362 PolarHBondContact N-OG 3.49Å; G358-S362 PolarHBondContact O-N 2.92Å; G358-S362 PolarHBondContact O-OG 3.31Å; S362-L365 PolarHBondContact O-N 3.44Å; S362-Y366 WeakPolarHBondContact O-CD2 3.43Å; S362-Y366 PolarHBondContact O-N 3.26Å
363	F	88.6	Confident	85.8	Confident	5 Å²	5	39.4 Å²	39.4	2%	0.022	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-46.6	179.5	-174.1	-87.2	0	0	0	112.2	M236 L243 T247 I342 N359 L360 V361 L365 Y366 Q367	M236-F363 HydrophobicContact CB-CE2 4.23Å; M236-F363 HydrophobicContact CE-CE1 4.4Å; M236-F363 HydrophobicContact CE-CE2 3.87Å; M236-F363 HydrophobicContact CE-CZ 3.61Å; M236-F363 HydrophobicContact CG-CE2 4.39Å; L243-F363 HydrophobicContact CB-CD1 4.01Å; L243-F363 HydrophobicContact CB-CD2 4.05Å; L243-F363 HydrophobicContact CB-CE1 3.5Å; L243-F363 HydrophobicContact CB-CE2 3.53Å; L243-F363 HydrophobicContact CB-CG 4.28Å; L243-F363 HydrophobicContact CB-CZ 3.25Å; L243-F363 HydrophobicContact CD1-CD1 3.91Å; L243-F363 HydrophobicContact CD1-CD2 4.29Å; L243-F363 HydrophobicContact CD1-CE1 4.25Å; L243-F363 HydrophobicContact CD1-CG 3.96Å; L243-F363 HydrophobicContact CG-CE1 4.39Å; L243-F363 HydrophobicContact CG-CZ 4.49Å; T247-F363 HydrophobicContact CG2-CE1 3.74Å; T247-F363 HydrophobicContact CG2-CZ 3.63Å; I342-F363 HydrophobicContact CG2-CD1 4.29Å; I342-F363 HydrophobicContact CG2-CE1 4.13Å; N359-F363 VanDerWaalsContact O-CB 3.23Å; N359-F363 WeakPolarHBondContact O-CB 3.38Å; N359-F363 PolarHBondContact O-N 2.97Å; L360-F363 PolarHBondContact O-N 2.95Å; V361-F363 VanDerWaalsContact C-N 3.29Å; V361-F363 PolarHBondContact O-N 3.03Å; F363-L365 VanDerWaalsContact C-N 3.32Å; F363-L365 PolarHBondContact O-N 3.48Å; F363-Y366 PolarHBondContact O-N 2.9Å; F363-Q367 HydrophobicContact CE1-CB 4.38Å; F363-Q367 WeakPolarHBondContact O-CB 3.48Å; F363-Q367 PolarHBondContact O-N 3.02Å
364	V	87.8	Confident	86.2	Confident	59 Å²	59	37.8 Å²	37.8	36%	0.358	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-41.4	178.1	169.9	0	0	0	0	111.1	I342 L360 V361 Q367 L368	I342-V364 HydrophobicContact CG2-CG2 4.45Å; L360-V364 HydrophobicContact CD1-CG2 4.36Å; L360-V364 WeakPolarHBondContact O-CG2 3.49Å; L360-V364 PolarHBondContact O-N 3.18Å; V361-V364 PolarHBondContact O-N 3.31Å; V364-Q367 PolarHBondContact O-N 3.04Å; V364-L368 WeakPolarHBondContact O-CB 3.42Å; V364-L368 PolarHBondContact O-N 3.34Å
365	L	89.6	Confident	86.4	Confident	56 Å²	56	38 Å²	38	29%	0.293	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-45.6	176.6	-71.7	175.2	0	0	0	112.1	P121 T124 V361 S362 F363 Q367 L368 Q369	P121-L365 HydrophobicContact CB-CB 3.77Å; P121-L365 HydrophobicContact CB-CD1 4.19Å; P121-L365 HydrophobicContact CG-CB 4.17Å; T124-L365 HydrophobicContact CG2-CD1 3.91Å; V361-L365 HydrophobicContact CG1-CD1 4.15Å; V361-L365 WeakPolarHBondContact O-CG 3.37Å; V361-L365 PolarHBondContact O-N 3.47Å; S362-L365 PolarHBondContact O-N 3.44Å; F363-L365 VanDerWaalsContact C-N 3.32Å; F363-L365 PolarHBondContact O-N 3.48Å; L365-Q367 VanDerWaalsContact C-N 3.34Å; L365-Q367 PolarHBondContact O-N 3.2Å; L365-L368 PolarHBondContact O-N 2.92Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 3.43Å; L365-Q369 VanDerWaalsContact O-N 3.15Å
366	Y	90.1	Very high	86.7	Confident	10 Å²	10	38.9 Å²	38.9	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.5	-73.9	-47.6	0	0	0	111.9	M118 P121 F122 L232 F235 S362 F363 L368 Q369 F370	M118-Y366 HydrophobicContact CB-CE1 4.25Å; M118-Y366 WeakPolarHBondContact O-CE1 3.29Å; M118-Y366 PolarHBondContact O-OH 2.76Å; M118-Y366 HydrophobicContact SD-CD1 4.33Å; M118-Y366 HydrophobicContact SD-CE1 4.15Å; P121-Y366 HydrophobicContact CB-CD1 3.75Å; P121-Y366 HydrophobicContact CB-CD2 4.32Å; P121-Y366 HydrophobicContact CB-CE1 3.52Å; P121-Y366 HydrophobicContact CB-CE2 4.09Å; P121-Y366 HydrophobicContact CB-CG 4.16Å; P121-Y366 HydrophobicContact CG-CD1 3.73Å; P121-Y366 HydrophobicContact CG-CE1 3.55Å; F122-Y366 WeakPolarHBondContact CB-OH 3.24Å; F122-Y366 PolarHBondContact N-OH 3.3Å; L232-Y366 HydrophobicContact CD2-CD1 3.58Å; L232-Y366 HydrophobicContact CD2-CE1 4.42Å; L232-Y366 HydrophobicContact CD2-CG 4.35Å; F235-Y366 HydrophobicContact CB-CD2 4.42Å; F235-Y366 HydrophobicContact CB-CE1 4.21Å; F235-Y366 HydrophobicContact CB-CE2 4.08Å; F235-Y366 HydrophobicContact CG-CE1 4.48Å; S362-Y366 WeakPolarHBondContact O-CD2 3.43Å; S362-Y366 PolarHBondContact O-N 3.26Å; F363-Y366 PolarHBondContact O-N 2.9Å; Y366-L368 PolarHBondContact O-N 3.43Å; Y366-Q369 PolarHBondContact O-N 2.85Å; Y366-F370 VanDerWaalsContact O-CB 3.3Å; Y366-F370 WeakPolarHBondContact O-CB 3.23Å; Y366-F370 PolarHBondContact O-N 3.22Å
367	Q	86.9	Confident	86.8	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-42.5	177.9	-178.9	-177.8	-3.9	0	0	112.6	M236 T247 F363 V364 L365 Q369 F370 T371	M236-Q367 HydrophobicContact CE-CB 4.05Å; M236-Q367 HydrophobicContact CE-CG 4.36Å; T247-Q367 HydrophobicContact CG2-CG 3.81Å; T247-Q367 VanDerWaalsContact CG2-NE2 3.26Å; F363-Q367 HydrophobicContact CE1-CB 4.38Å; F363-Q367 WeakPolarHBondContact O-CB 3.48Å; F363-Q367 PolarHBondContact O-N 3.02Å; V364-Q367 PolarHBondContact O-N 3.04Å; L365-Q367 VanDerWaalsContact C-N 3.34Å; L365-Q367 PolarHBondContact O-N 3.2Å; Q367-Q369 VanDerWaalsContact C-N 3.3Å; Q367-Q369 PolarHBondContact O-N 3.41Å; Q367-F370 PolarHBondContact O-N 2.83Å; Q367-T371 WeakPolarHBondContact O-CB 3.48Å; Q367-T371 PolarHBondContact O-N 2.81Å; Q367-T371 PolarHBondContact O-OG1 2.9Å
368	L	86.2	Confident	86.7	Confident	62 Å²	62	41.1 Å²	41.1	33%	0.325	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-44.8	178.6	-173.4	76.9	0	0	0	110.5	V364 L365 Y366 R372	V364-L368 WeakPolarHBondContact O-CB 3.42Å; V364-L368 PolarHBondContact O-N 3.34Å; L365-L368 PolarHBondContact O-N 2.92Å; Y366-L368 PolarHBondContact O-N 3.43Å; L368-R372 PolarHBondContact O-N 3.45Å
369	Q	89.4	Confident	86.5	Confident	41 Å²	41	44.7 Å²	44.7	19%	0.192	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-38.9	176.6	-66.4	-171.7	19	0	0	112	L232 L365 Y366 Q367 R372 A373	L232-Q369 HydrophobicContact CD1-CB 3.92Å; L232-Q369 HydrophobicContact CD2-CB 4.03Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 3.43Å; L365-Q369 VanDerWaalsContact O-N 3.15Å; Y366-Q369 PolarHBondContact O-N 2.85Å; Q367-Q369 VanDerWaalsContact C-N 3.3Å; Q367-Q369 PolarHBondContact O-N 3.41Å; Q369-R372 PolarHBondContact O-N 3.01Å; Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 3.06Å
370	F	88.8	Confident	86.4	Confident	17 Å²	17	41.1 Å²	41.1	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-42.9	179.1	-179.4	-101.8	0	0	0	111.9	L232 L233 M236 L251 Y366 Q367 R372 A373 V374	L232-F370 HydrophobicContact CB-CB 4.28Å; L232-F370 HydrophobicContact CB-CD2 3.98Å; L232-F370 HydrophobicContact CD1-CB 4.2Å; L233-F370 HydrophobicContact CB-CE2 4.11Å; L233-F370 HydrophobicContact CD1-CE2 4.05Å; L233-F370 HydrophobicContact CD1-CZ 3.92Å; M236-F370 HydrophobicContact SD-CB 3.88Å; M236-F370 HydrophobicContact SD-CD1 4.35Å; M236-F370 HydrophobicContact SD-CG 4.03Å; L251-F370 HydrophobicContact CD1-CE1 3.78Å; L251-F370 HydrophobicContact CD1-CZ 4.49Å; L251-F370 HydrophobicContact CD2-CE1 4.39Å; Y366-F370 VanDerWaalsContact O-CB 3.3Å; Y366-F370 WeakPolarHBondContact O-CB 3.23Å; Y366-F370 PolarHBondContact O-N 3.22Å; Q367-F370 PolarHBondContact O-N 2.83Å; F370-R372 VanDerWaalsContact C-N 3.32Å; F370-R372 PolarHBondContact O-N 3.48Å; F370-A373 PolarHBondContact O-N 2.96Å; F370-V374 HydrophobicContact CD1-CG2 4.23Å; F370-V374 HydrophobicContact CD2-CG2 4.43Å; F370-V374 HydrophobicContact CE1-CG2 3.79Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 3.67Å; F370-V374 WeakPolarHBondContact O-CG2 3.38Å; F370-V374 PolarHBondContact O-N 3Å
371	T	84.5	Confident	85.9	Confident	22 Å²	22	46.6 Å²	46.6	14%	0.135	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-44	177.2	-50.8	0	0	0	0	110.7	L254 Q367 V374 E375	L254-T371 HydrophobicContact CD1-CG2 3.91Å; L254-T371 HydrophobicContact CD2-CG2 4.39Å; Q367-T371 WeakPolarHBondContact O-CB 3.48Å; Q367-T371 PolarHBondContact O-N 2.81Å; Q367-T371 PolarHBondContact O-OG1 2.9Å; T371-V374 PolarHBondContact O-N 3.33Å; T371-E375 WeakPolarHBondContact O-CB 3.26Å; T371-E375 PolarHBondContact O-N 3.12Å
372	R	85.9	Confident	85.2	Confident	156 Å²	156	47.4 Å²	47.4	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-63.2	-43.2	173.7	-73	-176.2	-179.4	172.4	0.3	112.5	L368 Q369 F370 V374 E375 V376	L368-R372 PolarHBondContact O-N 3.45Å; Q369-R372 PolarHBondContact O-N 3.01Å; F370-R372 VanDerWaalsContact C-N 3.32Å; F370-R372 PolarHBondContact O-N 3.48Å; R372-V374 VanDerWaalsContact C-N 3.34Å; R372-V374 PolarHBondContact O-N 2.93Å; R372-E375 WeakPolarHBondContact O-CB 3.46Å; R372-E375 PolarHBondContact O-N 3.4Å; R372-V376 WeakPolarHBondContact O-CG2 3.48Å; R372-V376 PolarHBondContact O-N 2.76Å
373	A	88.3	Confident	84.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-43.4	179.2	0	0	0	0	0	111.7	Y225 L232 Q369 F370 L377	Y225-A373 HydrophobicContact CD1-CB 3.83Å; L232-A373 HydrophobicContact CD1-CB 4.42Å; Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 3.06Å; F370-A373 PolarHBondContact O-N 2.96Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 PolarHBondContact O-N 3.45Å
374	V	85.2	Confident	84.1	Confident	31 Å²	31	48.8 Å²	48.8	19%	0.188	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-41.1	175.5	176.3	0	0	0	0	111.3	F255 F370 T371 R372 L377 L378	F255-V374 HydrophobicContact CE2-CB 4.39Å; F255-V374 HydrophobicContact CE2-CG1 3.53Å; F255-V374 HydrophobicContact CZ-CB 4.24Å; F255-V374 HydrophobicContact CZ-CG1 3.7Å; F370-V374 HydrophobicContact CD1-CG2 4.23Å; F370-V374 HydrophobicContact CD2-CG2 4.43Å; F370-V374 HydrophobicContact CE1-CG2 3.79Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 3.67Å; F370-V374 WeakPolarHBondContact O-CG2 3.38Å; F370-V374 PolarHBondContact O-N 3Å; T371-V374 PolarHBondContact O-N 3.33Å; R372-V374 VanDerWaalsContact C-N 3.34Å; R372-V374 PolarHBondContact O-N 2.93Å; V374-L377 PolarHBondContact O-N 3.03Å; V374-L378 HydrophobicContact CG1-CD1 3.93Å; V374-L378 HydrophobicContact CG1-CG 4.26Å; V374-L378 WeakPolarHBondContact O-CB 3.48Å; V374-L378 VanDerWaalsContact O-CG 3.27Å; V374-L378 WeakPolarHBondContact O-CG 3.23Å; V374-L378 PolarHBondContact O-N 3.27Å
375	E	83.3	Confident	83.5	Confident	82 Å²	82	51.4 Å²	51.4	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-48.5	176.5	-179.5	-178.8	-176.9	0	0	111.9	F255 M331 T371 R372 L378 S379	F255-E375 HydrophobicContact CE1-CB 4.16Å; F255-E375 HydrophobicContact CZ-CB 4.36Å; M331-E375 VanDerWaalsContact CE-CD 3.41Å; M331-E375 HydrophobicContact CE-CG 3.89Å; M331-E375 VanDerWaalsContact CE-OE1 3.32Å; M331-E375 WeakPolarHBondContact CE-OE1 3.43Å; T371-E375 WeakPolarHBondContact O-CB 3.26Å; T371-E375 PolarHBondContact O-N 3.12Å; R372-E375 WeakPolarHBondContact O-CB 3.46Å; R372-E375 PolarHBondContact O-N 3.4Å; E375-L378 PolarHBondContact O-N 3.31Å; E375-S379 PolarHBondContact O-N 3.48Å; E375-S379 VanDerWaalsContact O-N 3.07Å
376	V	86.6	Confident	83	Confident	38 Å²	38	56.7 Å²	56.7	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-43.3	176	177.6	0	0	0	0	110.8	Y225 R372 L378 S379 I380	Y225-V376 HydrophobicContact CD1-CB 4.36Å; Y225-V376 HydrophobicContact CD2-CB 4.05Å; Y225-V376 HydrophobicContact CD2-CG1 3.45Å; Y225-V376 VanDerWaalsContact CD2-CG1 3.45Å; Y225-V376 HydrophobicContact CE1-CB 4.39Å; Y225-V376 HydrophobicContact CE1-CG2 4.32Å; Y225-V376 HydrophobicContact CE2-CB 4.14Å; Y225-V376 HydrophobicContact CE2-CG1 3.53Å; Y225-V376 HydrophobicContact CE2-CG2 4.35Å; Y225-V376 HydrophobicContact CG-CB 4.17Å; Y225-V376 HydrophobicContact CG-CG1 4.04Å; R372-V376 WeakPolarHBondContact O-CG2 3.48Å; R372-V376 PolarHBondContact O-N 2.76Å; V376-L378 VanDerWaalsContact C-N 3.27Å; V376-L378 PolarHBondContact O-N 3.37Å; V376-S379 PolarHBondContact O-N 3.15Å; V376-S379 VanDerWaalsContact O-N 3.12Å; V376-S379 PolarHBondContact O-OG 3.02Å; V376-I380 HydrophobicContact CG1-CD1 4.24Å; V376-I380 WeakPolarHBondContact O-CG1 3.39Å; V376-I380 PolarHBondContact O-N 3.45Å; V376-I380 VanDerWaalsContact O-N 3.15Å
377	L	85.1	Confident	82.6	Confident	32 Å²	32	56.6 Å²	56.6	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-37.3	178.8	-165.5	67.1	0	0	0	112.4	F222 L226 A373 V374	F222-L377 HydrophobicContact CD2-CD1 3.45Å; F222-L377 VanDerWaalsContact CD2-CD1 3.45Å; F222-L377 HydrophobicContact CE2-CD1 3.76Å; F222-L377 HydrophobicContact CG-CD1 4.33Å; L226-L377 HydrophobicContact CB-CD1 4.48Å; L226-L377 HydrophobicContact CD1-CD2 4.26Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 PolarHBondContact O-N 3.45Å; V374-L377 PolarHBondContact O-N 3.03Å
378	L	81.3	Confident	82.2	Confident	89 Å²	89	56.5 Å²	56.5	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-71.1	-32.8	176.3	-72	173.5	0	0	0	112.8	F255 V374 E375 V376 I380 P382	F255-L378 HydrophobicContact CB-CD1 4.41Å; F255-L378 HydrophobicContact CD1-CD1 3.55Å; F255-L378 HydrophobicContact CD2-CD1 3.69Å; F255-L378 HydrophobicContact CE1-CD1 3.6Å; F255-L378 HydrophobicContact CE2-CD1 3.74Å; F255-L378 HydrophobicContact CG-CD1 3.61Å; F255-L378 HydrophobicContact CZ-CD1 3.7Å; V374-L378 HydrophobicContact CG1-CD1 3.93Å; V374-L378 HydrophobicContact CG1-CG 4.26Å; V374-L378 WeakPolarHBondContact O-CB 3.48Å; V374-L378 VanDerWaalsContact O-CG 3.27Å; V374-L378 WeakPolarHBondContact O-CG 3.23Å; V374-L378 PolarHBondContact O-N 3.27Å; E375-L378 PolarHBondContact O-N 3.31Å; V376-L378 VanDerWaalsContact C-N 3.27Å; V376-L378 PolarHBondContact O-N 3.37Å; L378-I380 VanDerWaalsContact C-N 3.32Å; L378-P382 WeakPolarHBondContact O-CD 3.45Å
379	S	80.6	Confident	81.7	Confident	74 Å²	74	55.5 Å²	55.5	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-22.3	178	77.7	0	0	0	0	113.2	E375 V376 P382	E375-S379 PolarHBondContact O-N 3.48Å; E375-S379 VanDerWaalsContact O-N 3.07Å; V376-S379 PolarHBondContact O-N 3.15Å; V376-S379 VanDerWaalsContact O-N 3.12Å; V376-S379 PolarHBondContact O-OG 3.02Å; S379-P382 WeakPolarHBondContact O-CD 3.3Å
380	I	83.1	Confident	81.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-35.8	176.5	-69.2	166	0	0	0	111.7	K218 L221 F222 V376 L378 S383 M384	K218-I380 HydrophobicContact CB-CG2 4.16Å; L221-I380 HydrophobicContact CB-CD1 3.77Å; F222-I380 HydrophobicContact CB-CD1 4.07Å; F222-I380 HydrophobicContact CB-CG2 4.35Å; V376-I380 HydrophobicContact CG1-CD1 4.24Å; V376-I380 WeakPolarHBondContact O-CG1 3.39Å; V376-I380 PolarHBondContact O-N 3.45Å; V376-I380 VanDerWaalsContact O-N 3.15Å; L378-I380 VanDerWaalsContact C-N 3.32Å; I380-S383 PolarHBondContact O-N 3.07Å; I380-M384 HydrophobicContact CG2-CB 4.49Å; I380-M384 HydrophobicContact CG2-CE 4.25Å; I380-M384 WeakPolarHBondContact O-CB 3.48Å; I380-M384 PolarHBondContact O-N 3.35Å
381	Y	75.4	Confident	80.9	Confident	136 Å²	136	54.9 Å²	54.9	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-53.7	-172.4	173.8	-85.7	0	0	0	113.9	S383 M384 Q385	Y381-S383 VanDerWaalsContact C-N 3.28Å; Y381-S383 PolarHBondContact O-N 3.26Å; Y381-M384 PolarHBondContact O-N 3.47Å; Y381-Q385 PolarHBondContact O-N 3.28Å
382	P	74.1	Confident	80.8	Confident	66 Å²	66	58.6 Å²	58.6	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-36.9	177.9	-21.5	33.1	0	0	0	112.7	L378 S379 Q385 K386	L378-P382 WeakPolarHBondContact O-CD 3.45Å; S379-P382 WeakPolarHBondContact O-CD 3.3Å; P382-Q385 PolarHBondContact O-N 3.48Å; P382-K386 WeakPolarHBondContact O-CB 3.29Å; P382-K386 PolarHBondContact O-N 2.92Å
383	S	76.3	Confident	80.3	Confident	35 Å²	35	56.6 Å²	56.6	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-44.5	178.8	-169.1	0	0	0	0	111.5	K218 I380 Y381 K386 S387	K218-S383 VanDerWaalsContact CE-OG 3.26Å; K218-S383 WeakPolarHBondContact CE-OG 2.91Å; I380-S383 PolarHBondContact O-N 3.07Å; Y381-S383 VanDerWaalsContact C-N 3.28Å; Y381-S383 PolarHBondContact O-N 3.26Å; S383-K386 WeakPolarHBondContact O-CB 3.45Å; S383-K386 PolarHBondContact O-N 2.68Å; S383-S387 PolarHBondContact O-N 3.46Å; S383-S387 PolarHBondContact O-OG 2.86Å; S383-S387 VanDerWaalsContact O-OG 3.11Å
384	M	78.6	Confident	80.1	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.034	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.9	-165.2	71.2	83.7	0	0	110.6	F76 L89 K218 L219 I380 Y381 K386 S387 V388	F76-M384 HydrophobicContact CZ-CE 4.48Å; F76-M384 HydrophobicContact CZ-CG 4.05Å; L89-M384 HydrophobicContact CD1-CG 4.33Å; L89-M384 HydrophobicContact CD2-SD 4.26Å; K218-M384 HydrophobicContact CB-CE 3.63Å; K218-M384 HydrophobicContact CB-SD 4.16Å; L219-M384 HydrophobicContact CB-CE 4.48Å; I380-M384 HydrophobicContact CG2-CB 4.49Å; I380-M384 HydrophobicContact CG2-CE 4.25Å; I380-M384 WeakPolarHBondContact O-CB 3.48Å; I380-M384 PolarHBondContact O-N 3.35Å; Y381-M384 PolarHBondContact O-N 3.47Å; M384-K386 VanDerWaalsContact C-N 3.3Å; M384-K386 PolarHBondContact O-N 3.11Å; M384-S387 PolarHBondContact O-N 3.07Å; M384-V388 VanDerWaalsContact O-CG2 3.28Å; M384-V388 WeakPolarHBondContact O-CG2 3.26Å; M384-V388 PolarHBondContact O-N 3.46Å
385	Q	75.1	Confident	80	Confident	114 Å²	114	56 Å²	56	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-39.6	176.4	-171.4	174.3	-0.9	0	0	112	Y381 P382 V388 G389	Y381-Q385 PolarHBondContact O-N 3.28Å; P382-Q385 PolarHBondContact O-N 3.48Å; Q385-V388 PolarHBondContact O-N 3.37Å; Q385-G389 PolarHBondContact O-N 3.34Å
386	K	77.8	Confident	80.1	Confident	167 Å²	167	58 Å²	58	73%	0.726	31%	0.306	S	S	*	.	H	α-helix	trans	-63.4	-46.1	174.4	-175.4	-178.4	176.9	-175.5	0	111.8	P382 S383 M384 V388 G389 A390	P382-K386 WeakPolarHBondContact O-CB 3.29Å; P382-K386 PolarHBondContact O-N 2.92Å; S383-K386 WeakPolarHBondContact O-CB 3.45Å; S383-K386 PolarHBondContact O-N 2.68Å; M384-K386 VanDerWaalsContact C-N 3.3Å; M384-K386 PolarHBondContact O-N 3.11Å; K386-V388 VanDerWaalsContact C-N 3.3Å; K386-V388 PolarHBondContact O-N 2.87Å; K386-G389 PolarHBondContact O-N 3.42Å; K386-A390 PolarHBondContact O-N 2.89Å
387	S	81.1	Confident	79.9	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-35.9	178.9	-58.8	0	0	0	0	112.5	S214 S383 M384 A390 S391	S214-S387 WeakPolarHBondContact CB-OG 3.33Å; S383-S387 PolarHBondContact O-N 3.46Å; S383-S387 PolarHBondContact O-OG 2.86Å; S383-S387 VanDerWaalsContact O-OG 3.11Å; M384-S387 PolarHBondContact O-N 3.07Å; S387-A390 PolarHBondContact O-N 2.95Å; S387-S391 PolarHBondContact O-N 3.31Å
388	V	79.1	Confident	79.9	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-70.8	-40.1	175.6	177.9	0	0	0	0	112.2	A85 M88 L89 M384 Q385 K386 A390 S391 E392	A85-V388 HydrophobicContact CB-CB 4.16Å; A85-V388 HydrophobicContact CB-CG1 3.48Å; A85-V388 VanDerWaalsContact CB-CG1 3.48Å; M88-V388 HydrophobicContact CB-CG1 3.86Å; M88-V388 HydrophobicContact CG-CG1 4.45Å; M88-V388 HydrophobicContact SD-CG1 3.91Å; L89-V388 HydrophobicContact CD1-CG2 3.86Å; L89-V388 HydrophobicContact CD2-CG2 3.67Å; L89-V388 HydrophobicContact CG-CG2 3.53Å; M384-V388 VanDerWaalsContact O-CG2 3.28Å; M384-V388 WeakPolarHBondContact O-CG2 3.26Å; M384-V388 PolarHBondContact O-N 3.46Å; Q385-V388 PolarHBondContact O-N 3.37Å; K386-V388 VanDerWaalsContact C-N 3.3Å; K386-V388 PolarHBondContact O-N 2.87Å; V388-A390 PolarHBondContact O-N 2.9Å; V388-S391 PolarHBondContact O-N 3.26Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 2.93Å; V388-E392 PolarHBondContact O-N 3.5Å
389	G	76.7	Confident	80.1	Confident	42 Å²	42	56.6 Å²	56.6	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-32.6	172.6	0	0	0	0	0	112.9	Q385 K386	Q385-G389 PolarHBondContact O-N 3.34Å; K386-G389 PolarHBondContact O-N 3.42Å
390	A	77.9	Confident	80.4	Confident	44 Å²	44	57.9 Å²	57.9	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-72.6	-35.1	173.5	0	0	0	0	0	112.5	V211 K386 S387 V388 E392 K393	V211-A390 HydrophobicContact CG2-CB 3.64Å; K386-A390 PolarHBondContact O-N 2.89Å; S387-A390 PolarHBondContact O-N 2.95Å; V388-A390 PolarHBondContact O-N 2.9Å; A390-E392 VanDerWaalsContact C-N 3.28Å; A390-E392 PolarHBondContact O-N 3.49Å; A390-K393 PolarHBondContact O-N 3.07Å
391	S	82.9	Confident	80.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-24	178.7	79	0	0	0	0	113.5	S387 V388 K393 I394 F395	S387-S391 PolarHBondContact O-N 3.31Å; V388-S391 PolarHBondContact O-N 3.26Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 2.93Å; S391-K393 PolarHBondContact O-N 3.31Å; S391-I394 WeakPolarHBondContact O-CB 3.3Å; S391-I394 PolarHBondContact O-N 3.32Å; S391-F395 VanDerWaalsContact O-CD2 3.3Å; S391-F395 WeakPolarHBondContact O-CD2 3.48Å; S391-F395 PolarHBondContact O-N 3.33Å
392	E	81.6	Confident	80.3	Confident	100 Å²	100	58.7 Å²	58.7	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-51.8	-43.9	175.2	-178.6	164.8	-156.3	0	0	112.1	M88 V388 A390 F395 E396	M88-E392 HydrophobicContact CE-CB 3.52Å; M88-E392 HydrophobicContact CE-CG 3.45Å; M88-E392 VanDerWaalsContact CE-CG 3.45Å; M88-E392 HydrophobicContact SD-CB 3.78Å; M88-E392 HydrophobicContact SD-CG 4.39Å; V388-E392 PolarHBondContact O-N 3.5Å; A390-E392 VanDerWaalsContact C-N 3.28Å; A390-E392 PolarHBondContact O-N 3.49Å; E392-F395 CarbonylContact O-C 3.59Å; E392-F395 PolarHBondContact O-N 3.48Å; E392-E396 PolarHBondContact O-N 3.1Å
393	K	76.3	Confident	79.9	Confident	114 Å²	114	60.5 Å²	60.5	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-41.6	177.9	-66.2	-178	-177.7	175.8	0	111.5	A390 S391 F395 E396 Y397	A390-K393 PolarHBondContact O-N 3.07Å; S391-K393 PolarHBondContact O-N 3.31Å; K393-F395 VanDerWaalsContact C-N 3.3Å; K393-F395 PolarHBondContact O-N 2.9Å; K393-E396 WeakPolarHBondContact O-CA 3.17Å; K393-E396 WeakPolarHBondContact O-CB 3.1Å; K393-E396 PolarHBondContact O-N 3.37Å; K393-E396 VanDerWaalsContact O-N 3.11Å; K393-Y397 WeakPolarHBondContact O-CD2 3.07Å; K393-Y397 PolarHBondContact O-N 2.86Å; K393-Y397 VanDerWaalsContact O-N 3.16Å
394	I	84.1	Confident	79.3	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-42.2	177.2	-59.2	168.2	0	0	0	110.1	V180 T208 V211 S391 E396 Y397 L398	V180-I394 HydrophobicContact CG1-CG2 4.45Å; V180-I394 HydrophobicContact CG2-CG2 3.48Å; V180-I394 VanDerWaalsContact CG2-CG2 3.48Å; T208-I394 HydrophobicContact CG2-CD1 4.49Å; V211-I394 HydrophobicContact CB-CD1 3.79Å; V211-I394 HydrophobicContact CG1-CD1 4.02Å; V211-I394 HydrophobicContact CG2-CD1 3.79Å; S391-I394 WeakPolarHBondContact O-CB 3.3Å; S391-I394 PolarHBondContact O-N 3.32Å; I394-E396 VanDerWaalsContact C-N 3.31Å; I394-E396 PolarHBondContact O-N 3.16Å; I394-Y397 WeakPolarHBondContact O-CB 3.09Å; I394-Y397 PolarHBondContact O-N 3.02Å; I394-L398 HydrophobicContact CG2-CD1 4.3Å; I394-L398 PolarHBondContact O-N 3.29Å
395	F	83.4	Confident	78.4	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.035	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-29.6	174.8	-78.1	-67.6	0	0	0	113	M88 R91 M92 F95 S391 E392 K393 Y397 L398 D399	M88-F395 HydrophobicContact CB-CE2 4.38Å; M88-F395 HydrophobicContact CG-CD2 4.43Å; R91-F395 HydrophobicContact CB-CE1 3.96Å; R91-F395 HydrophobicContact CB-CZ 3.81Å; M92-F395 HydrophobicContact CG-CE2 3.48Å; M92-F395 VanDerWaalsContact CG-CE2 3.48Å; M92-F395 HydrophobicContact CG-CZ 3.43Å; M92-F395 VanDerWaalsContact CG-CZ 3.43Å; M92-F395 HydrophobicContact SD-CE2 4.13Å; F95-F395 HydrophobicContact CE2-CE1 4.21Å; F95-F395 HydrophobicContact CE2-CZ 4.45Å; S391-F395 VanDerWaalsContact O-CD2 3.3Å; S391-F395 WeakPolarHBondContact O-CD2 3.48Å; S391-F395 PolarHBondContact O-N 3.33Å; E392-F395 CarbonylContact O-C 3.59Å; E392-F395 PolarHBondContact O-N 3.48Å; K393-F395 VanDerWaalsContact C-N 3.3Å; K393-F395 PolarHBondContact O-N 2.9Å; F395-Y397 VanDerWaalsContact C-N 3.29Å; F395-Y397 PolarHBondContact O-N 2.88Å; F395-L398 HydrophobicContact CD1-CD1 3.94Å; F395-L398 HydrophobicContact CE1-CD1 4.1Å; F395-L398 PolarHBondContact O-N 3.36Å; F395-D399 WeakPolarHBondContact O-CB 3.31Å; F395-D399 PolarHBondContact O-N 3.4Å
396	E	84	Confident	77.8	Confident	125 Å²	125	61.6 Å²	61.6	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-58.7	-42	169.8	-167	-171.3	165	0	0	111	E392 K393 I394 R400	E392-E396 PolarHBondContact O-N 3.1Å; K393-E396 WeakPolarHBondContact O-CA 3.17Å; K393-E396 WeakPolarHBondContact O-CB 3.1Å; K393-E396 PolarHBondContact O-N 3.37Å; K393-E396 VanDerWaalsContact O-N 3.11Å; I394-E396 VanDerWaalsContact C-N 3.31Å; I394-E396 PolarHBondContact O-N 3.16Å; E396-R400 VanDerWaalsContact O-CB 3.27Å; E396-R400 WeakPolarHBondContact O-CB 3.03Å; E396-R400 PolarHBondContact O-N 3.15Å; E396-R400 VanDerWaalsContact O-N 3.13Å
397	Y	82.7	Confident	77	Confident	20 Å²	20	58 Å²	58	8%	0.078	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-43.1	173.4	-78.6	-91.9	0	0	0	112.8	V184 F191 R203 K393 I394 F395	V184-Y397 HydrophobicContact CG2-CD1 3.82Å; V184-Y397 HydrophobicContact CG2-CE1 4.37Å; F191-Y397 HydrophobicContact CE1-CD1 4.47Å; F191-Y397 AromaticContact CE1-CE1 3.82Å; F191-Y397 HydrophobicContact CE1-CE1 3.82Å; F191-Y397 HydrophobicContact CE2-CE1 4.14Å; F191-Y397 AromaticContact CZ-CD1 3.95Å; F191-Y397 HydrophobicContact CZ-CD1 3.95Å; F191-Y397 AromaticContact CZ-CE1 3.21Å; F191-Y397 HydrophobicContact CZ-CE1 3.21Å; F191-Y397 AromaticContact CZ-CZ 3.92Å; R203-Y397 WeakPolarHBondContact CD-OH 3.19Å; R203-Y397 PolarHBondContact NH1-OH 3.08Å; K393-Y397 WeakPolarHBondContact O-CD2 3.07Å; K393-Y397 PolarHBondContact O-N 2.86Å; K393-Y397 VanDerWaalsContact O-N 3.16Å; I394-Y397 WeakPolarHBondContact O-CB 3.09Å; I394-Y397 PolarHBondContact O-N 3.02Å; F395-Y397 VanDerWaalsContact C-N 3.29Å; F395-Y397 PolarHBondContact O-N 2.88Å
398	L	85.5	Confident	76.7	Confident	42 Å²	42	58.1 Å²	58.1	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-35.8	-179.2	-74.6	168.4	0	0	0	113	E179 V180 A183 I394 F395	E179-L398 HydrophobicContact CB-CD2 4.19Å; V180-L398 HydrophobicContact CB-CD2 4.49Å; V180-L398 HydrophobicContact CG2-CD1 3.91Å; V180-L398 HydrophobicContact CG2-CD2 3.94Å; V180-L398 HydrophobicContact CG2-CG 3.94Å; A183-L398 HydrophobicContact CB-CD2 3.93Å; I394-L398 HydrophobicContact CG2-CD1 4.3Å; I394-L398 PolarHBondContact O-N 3.29Å; F395-L398 HydrophobicContact CD1-CD1 3.94Å; F395-L398 HydrophobicContact CE1-CD1 4.1Å; F395-L398 PolarHBondContact O-N 3.36Å
399	D	86.4	Confident	76.9	Confident	67 Å²	67	63.5 Å²	63.5	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-86.3	-13.1	-177.4	-69.5	-17	0	0	0	112.8	R91 F395 T401	R91-D399 IonicContact CZ-OD1 3.85Å; R91-D399 IonicContact CZ-OD2 3.86Å; R91-D399 IonicContact NH1-OD1 3.55Å; R91-D399 PolarHBondContact NH1-OD1 3.38Å; R91-D399 IonicContact NH1-OD2 2.77Å; R91-D399 PolarHBondContact NH1-OD2 2.9Å; R91-D399 IonicContact NH2-OD1 3.15Å; R91-D399 PolarHBondContact NH2-OD1 2.84Å; R91-D399 IonicContact NH2-OD2 3.68Å; F395-D399 WeakPolarHBondContact O-CB 3.31Å; F395-D399 PolarHBondContact O-N 3.4Å; D399-T401 PolarHBondContact O-N 3.27Å; D399-T401 VanDerWaalsContact O-N 3.13Å
400	R	85.3	Confident	77.4	Confident	100 Å²	100	64.1 Å²	64.1	38%	0.377	37%	0.365	S	S	.	.			trans	-66.7	114.4	178.9	-174.2	176	173.4	125.6	0.1	109.3	Q187 E188 E396	Q187-R400 VanDerWaalsContact CD-CD 3.47Å; Q187-R400 VanDerWaalsContact CD-NE 3.27Å; E188-R400 IonicContact OE1-CZ 2.9Å; E188-R400 IonicContact OE1-NE 2.76Å; E188-R400 IonicContact OE1-NH2 2.8Å; E188-R400 PolarHBondContact OE1-NH2 3.07Å; E396-R400 VanDerWaalsContact O-CB 3.27Å; E396-R400 WeakPolarHBondContact O-CB 3.03Å; E396-R400 PolarHBondContact O-N 3.15Å; E396-R400 VanDerWaalsContact O-N 3.13Å
401	T	80.4	Confident	77.8	Confident	118 Å²	118	64.8 Å²	64.8	72%	0.724	37%	0.371	S	S	*	.			trans	-79.9	129.9	169.7	52.5	0	0	0	0	109.5	D399	D399-T401 PolarHBondContact O-N 3.27Å; D399-T401 VanDerWaalsContact O-N 3.13Å
402	P	77.8	Confident	78.1	Confident	39 Å²	39	66.7 Å²	66.7	25%	0.253	38%	0.383	S	S	.	.			trans	-65.1	140.2	176.9	26.2	-33.1	0	0	0	111.5	H186 E188 S404	H186-P402 WeakPolarHBondContact O-CB 3.43Å; E188-P402 VanDerWaalsContact OE2-CA 3.28Å; E188-P402 WeakPolarHBondContact OE2-CA 3.25Å; P402-S404 VanDerWaalsContact C-N 3.28Å; P402-S404 PolarHBondContact O-N 3.33Å
403	C	65.3	Low	78.1	Confident	104 Å²	104	70.4 Å²	70.4	70%	0.703	41%	0.405	S	S	*	.	S	Bend	trans	-68.4	-29.8	-179.6	-68.6	0	0	0	0	112.4	E188 P405	E188-C403 PolarHBondContact OE2-N 3.12Å; C403-P405 WeakPolarHBondContact O-CD 3.49Å
404	S	62.8	Low	78.4	Confident	33 Å²	33	71.5 Å²	71.5	23%	0.231	42%	0.416	C	S	.	.	S	Bend	trans	-113.3	89.3	172.2	-175.8	0	0	0	0	108.1	P402 Q472	P402-S404 VanDerWaalsContact C-N 3.28Å; P402-S404 PolarHBondContact O-N 3.33Å; S404-Q472 PolarHBondContact OG-NE2 3.46Å
405	P	60.5	Low	78.5	Confident	65 Å²	65	71.3 Å²	71.3	42%	0.422	42%	0.415	S	S	.	.			trans	-69.3	148.1	-178.8	32.3	-36.9	0	0	0	110	C403 S407	C403-P405 WeakPolarHBondContact O-CD 3.49Å; P405-S407 WeakPolarHBondContact CB-OG 3.46Å; P405-S407 PolarHBondContact O-N 3.3Å
406	L	63.1	Low	78.8	Confident	80 Å²	80	78.6 Å²	78.6	42%	0.419	45%	0.447	S	S	.	.	S	Bend	trans	-69.2	33.8	177.6	-64.8	159.6	0	0	0	112.6	H490	L406-H490 HydrophobicContact CB-CB 4.49Å; L406-H490 HydrophobicContact CD2-CB 3.53Å; L406-H490 WeakPolarHBondContact CD2-CD2 3.25Å
407	S	60.5	Low	79	Confident	91 Å²	91	72.7 Å²	72.7	64%	0.636	42%	0.419	S	S	*	.			trans	-102.1	6.1	-156.2	-63.8	0	0	0	0	115.7	P405	P405-S407 WeakPolarHBondContact CB-OG 3.46Å; P405-S407 PolarHBondContact O-N 3.3Å
408	G	73.4	Confident	79.6	Confident	12 Å²	12	73.8 Å²	73.8	12%	0.124	43%	0.426	C	S	.	.			trans	-62.3	138.7	171.3	0	0	0	0	0	110.7	Q487 Y488 D489	G408-Q487 CarbonylContact C-O 3.6Å; G408-Q487 WeakPolarHBondContact CA-O 3.41Å; G408-Y488 WeakPolarHBondContact CA-O 3.21Å; G408-D489 VanDerWaalsContact O-CA 3.24Å; G408-D489 WeakPolarHBondContact O-CA 3.46Å; G408-D489 WeakPolarHBondContact O-CB 3.4Å
409	S	83.3	Confident	80.1	Confident	118 Å²	118	71.8 Å²	71.8	83%	0.825	42%	0.416	S	S	*	.			trans	-106.3	-4.3	177.9	-177.8	0	0	0	0	112.2	A411 Q487	S409-A411 PolarHBondContact O-N 2.91Å; S409-Q487 PolarHBondContact N-O 3.31Å
410	L	87.5	Confident	80.5	Confident	54 Å²	54	72.5 Å²	72.5	28%	0.283	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-83	114.6	-170.8	-165.5	130.4	0	0	0	110.3	P412 E483 Q487 Y488 D489	L410-P412 HydrophobicContact CD2-CG 4.05Å; L410-E483 HydrophobicContact CD1-CG 4.17Å; L410-E483 HydrophobicContact CD2-CG 4.42Å; L410-Q487 WeakPolarHBondContact CB-O 3.42Å; L410-Q487 PolarHBondContact N-O 3.46Å; L410-Q487 VanDerWaalsContact N-O 3.09Å; L410-Y488 HydrophobicContact CD2-CD1 3.51Å; L410-Y488 HydrophobicContact CD2-CD2 4.25Å; L410-Y488 HydrophobicContact CD2-CE1 3.21Å; L410-Y488 HydrophobicContact CD2-CE2 4Å; L410-Y488 HydrophobicContact CD2-CG 4.03Å; L410-Y488 VanDerWaalsContact CD2-CZ 3.47Å; L410-Y488 WeakPolarHBondContact O-CA 3.35Å; L410-D489 PolarHBondContact O-N 3.26Å
411	A	87.9	Confident	81.1	Confident	59 Å²	59	67.8 Å²	67.8	49%	0.488	40%	0.398	S	S	.	.			trans	-136.7	73.6	178.6	0	0	0	0	0	110.5	S409 Y492	S409-A411 PolarHBondContact O-N 2.91Å; A411-Y492 HydrophobicContact CB-CD1 4.41Å; A411-Y492 HydrophobicContact CB-CD2 3.86Å; A411-Y492 HydrophobicContact CB-CE2 4.46Å; A411-Y492 HydrophobicContact CB-CG 3.84Å
412	P	88.7	Confident	81.8	Confident	41 Å²	41	66.4 Å²	66.4	27%	0.266	38%	0.383	S	S	.	.			trans	-65.2	144.8	-176.9	22.5	-31	0	0	0	112.1	L410 N414 Y488 Y492	L410-P412 HydrophobicContact CD2-CG 4.05Å; P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 3.06Å; P412-Y488 HydrophobicContact CG-CE1 4.03Å; P412-Y492 HydrophobicContact CG-CE1 4.02Å; P412-Y492 WeakPolarHBondContact CG-OH 3.49Å; P412-Y492 VanDerWaalsContact O-CE2 3.23Å; P412-Y492 WeakPolarHBondContact O-CE2 3.48Å; P412-Y492 PolarHBondContact O-OH 2.97Å
413	L	81.1	Confident	82.6	Confident	177 Å²	177	69.5 Å²	69.5	93%	0.927	40%	0.398	S	S	*	.	S	Bend	trans	-64.1	-34.5	178.1	-75.1	157.8	0	0	0	112.5
414	N	82.6	Confident	84	Confident	137 Å²	137	64.5 Å²	64.5	73%	0.733	36%	0.364	S	S	*	.			trans	-125.2	123.3	-179.7	-72.9	-31.7	0	0	0	110.2	P412	P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 3.06Å
415	M	87.1	Confident	85.5	Confident	8 Å²	8	64 Å²	64	4%	0.039	36%	0.361	C	S	.	.			trans	-108.7	129.5	172.4	-178.3	-179.5	-72.9	0	0	109.4	L480 D481 Y488 Y492 Q496 R578	M415-L480 HydrophobicContact CE-CD2 3.57Å; M415-L480 HydrophobicContact CE-CG 4.37Å; M415-L480 HydrophobicContact SD-CD1 4.49Å; M415-L480 HydrophobicContact SD-CD2 3.91Å; M415-L480 HydrophobicContact SD-CG 4.42Å; M415-D481 VanDerWaalsContact CG-OD2 3.22Å; M415-D481 WeakPolarHBondContact CG-OD2 3.24Å; M415-Y488 HydrophobicContact CE-CD1 4.45Å; M415-Y488 HydrophobicContact CE-CE1 3.98Å; M415-Y492 HydrophobicContact CE-CD1 4.45Å; M415-Y492 HydrophobicContact CE-CE1 3.46Å; M415-Y492 VanDerWaalsContact CE-CE1 3.46Å; M415-Q496 HydrophobicContact CE-CB 3.71Å; M415-Q496 HydrophobicContact CE-CG 3.7Å; M415-Q496 HydrophobicContact SD-CB 3.51Å; M415-Q496 VanDerWaalsContact SD-CB 3.51Å; M415-Q496 HydrophobicContact SD-CG 3.91Å; M415-R578 HydrophobicContact CB-CG 4.26Å; M415-R578 HydrophobicContact CG-CB 4.39Å; M415-R578 HydrophobicContact SD-CB 4.06Å
416	K	87.9	Confident	87.1	Confident	161 Å²	161	61.1 Å²	61.1	70%	0.7	34%	0.341	S	S	*	.			trans	-82.4	-36.6	175.8	-61.5	177.1	-178.1	175.6	0	110.4	P446 D481	K416-P446 VanDerWaalsContact O-CB 3.32Å; K416-P446 WeakPolarHBondContact O-CB 3.22Å; K416-D481 WeakPolarHBondContact CB-OD1 2.96Å; K416-D481 PolarHBondContact N-OD2 3.08Å
417	G	88.9	Confident	88.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.325	C	S	.	.			trans	90.6	21.9	178.2	0	0	0	0	0	114.2	D481 T611	G417-D481 PolarHBondContact N-OD1 3.5Å; G417-D481 PolarHBondContact N-OD2 3.4Å; G417-T611 WeakPolarHBondContact O-CB 3.49Å; G417-T611 PolarHBondContact O-OG1 3.47Å
418	L	94.8	Very high	89.9	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.225	31%	0.306	C	S	.	.			trans	-78.6	117.3	175	-178.7	74.9	0	0	0	109.6	T443 L444 Y445 L480 D481	L418-T443 HydrophobicContact CD1-CG2 3.8Å; L418-L444 WeakPolarHBondContact CD1-O 3.4Å; L418-Y445 HydrophobicContact CD1-CD1 3.74Å; L418-Y445 HydrophobicContact CD1-CE1 4.12Å; L418-Y445 HydrophobicContact CD1-CG 4.45Å; L418-L480 CarbonylContact O-C 3.6Å; L418-D481 WeakPolarHBondContact CB-OD1 3.39Å; L418-D481 PolarHBondContact N-OD1 3.39Å; L418-D481 PolarHBondContact O-N 3.43Å
419	V	96.2	Very high	90.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.2	178.2	179.3	0	0	0	0	109.8	F421 T443 L444 L467 V478 L479 L480 L579	V419-F421 HydrophobicContact CG1-CD2 3.93Å; V419-F421 HydrophobicContact CG1-CE2 3.78Å; V419-T443 CarbonylContact O-C 3.59Å; V419-T443 VanDerWaalsContact O-CA 3.26Å; V419-T443 WeakPolarHBondContact O-CA 3.35Å; V419-T443 WeakPolarHBondContact O-CG2 3.12Å; V419-L444 HydrophobicContact CB-CB 3.97Å; V419-L444 HydrophobicContact CB-CD1 4.08Å; V419-L444 HydrophobicContact CB-CG 4.15Å; V419-L444 HydrophobicContact CG1-CD1 4.35Å; V419-L444 HydrophobicContact CG2-CB 4.45Å; V419-L444 HydrophobicContact CG2-CD1 4.26Å; V419-L444 PolarHBondContact N-O 2.9Å; V419-L444 PolarHBondContact O-N 3.43Å; V419-L467 HydrophobicContact CB-CD2 4.35Å; V419-L467 HydrophobicContact CG1-CD2 3.41Å; V419-L467 VanDerWaalsContact CG1-CD2 3.41Å; V419-L467 HydrophobicContact CG2-CD2 4.07Å; V419-V478 HydrophobicContact CG1-CG1 4.45Å; V419-L479 CarbonylContact C-O 3.55Å; V419-L479 WeakPolarHBondContact CA-O 3.12Å; V419-L480 HydrophobicContact CG2-CD1 3.74Å; V419-L579 HydrophobicContact CG2-CD1 4.35Å; V419-L579 HydrophobicContact CG2-CD2 3.87Å
420	K	96.2	Very high	90.4	Very high	81 Å²	81	55.4 Å²	55.4	35%	0.352	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.8	172.3	-64	-178.8	178.6	179.2	0	111.1	T443 L479	K420-T443 HydrophobicContact CG-CG2 3.91Å; K420-L479 HydrophobicContact CB-CB 4.32Å; K420-L479 PolarHBondContact N-O 3.26Å; K420-L479 PolarHBondContact O-N 2.93Å
421	F	96.3	Very high	90.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.6	164.7	-80.5	-107.9	0	0	0	108.3	V419 V424 L440 T441 F442 V463 L466 L467 V478	V419-F421 HydrophobicContact CG1-CD2 3.93Å; V419-F421 HydrophobicContact CG1-CE2 3.78Å; F421-V424 HydrophobicContact CB-CG2 4.21Å; F421-V424 HydrophobicContact CD1-CB 3.91Å; F421-V424 HydrophobicContact CD1-CG1 4.13Å; F421-V424 HydrophobicContact CD1-CG2 3.73Å; F421-V424 HydrophobicContact CE1-CG1 4.39Å; F421-V424 HydrophobicContact CG-CG2 4.36Å; F421-L440 HydrophobicContact CD1-CD2 4.12Å; F421-L440 HydrophobicContact CE1-CD2 4.46Å; F421-T441 WeakPolarHBondContact O-CA 3.38Å; F421-T441 WeakPolarHBondContact O-CG2 3.45Å; F421-F442 HydrophobicContact CB-CD1 3.94Å; F421-F442 HydrophobicContact CB-CE1 3.86Å; F421-F442 HydrophobicContact CB-CG 4.46Å; F421-F442 HydrophobicContact CB-CZ 4.34Å; F421-F442 AromaticContact CD1-CE1 3.97Å; F421-F442 HydrophobicContact CD1-CE1 3.97Å; F421-F442 HydrophobicContact CD1-CZ 4.27Å; F421-F442 HydrophobicContact CD2-CD1 4.38Å; F421-F442 HydrophobicContact CD2-CD2 4.42Å; F421-F442 AromaticContact CD2-CE1 3.65Å; F421-F442 HydrophobicContact CD2-CE1 3.65Å; F421-F442 AromaticContact CD2-CE2 3.71Å; F421-F442 HydrophobicContact CD2-CE2 3.71Å; F421-F442 AromaticContact CD2-CZ 3.27Å; F421-F442 HydrophobicContact CD2-CZ 3.27Å; F421-F442 HydrophobicContact CE1-CE1 4.47Å; F421-F442 HydrophobicContact CE1-CZ 4.46Å; F421-F442 HydrophobicContact CE2-CE1 4.16Å; F421-F442 HydrophobicContact CE2-CE2 4.07Å; F421-F442 AromaticContact CE2-CZ 3.49Å; F421-F442 HydrophobicContact CE2-CZ 3.49Å; F421-F442 VanDerWaalsContact CE2-CZ 3.49Å; F421-F442 HydrophobicContact CG-CD1 4.15Å; F421-F442 AromaticContact CG-CE1 3.55Å; F421-F442 HydrophobicContact CG-CE1 3.55Å; F421-F442 HydrophobicContact CG-CE2 4.41Å; F421-F442 AromaticContact CG-CZ 3.71Å; F421-F442 HydrophobicContact CG-CZ 3.71Å; F421-F442 HydrophobicContact CZ-CZ 4.11Å; F421-F442 PolarHBondContact N-O 3.15Å; F421-F442 PolarHBondContact O-N 3.07Å; F421-V463 HydrophobicContact CE1-CG1 4.38Å; F421-V463 HydrophobicContact CE2-CG1 4.4Å; F421-V463 HydrophobicContact CZ-CG1 3.92Å; F421-L466 HydrophobicContact CE1-CB 4.44Å; F421-L466 HydrophobicContact CE1-CD1 4.34Å; F421-L467 HydrophobicContact CE2-CD1 4.29Å; F421-L467 HydrophobicContact CE2-CD2 3.71Å; F421-L467 HydrophobicContact CE2-CG 3.84Å; F421-L467 HydrophobicContact CZ-CD1 4.48Å; F421-L467 HydrophobicContact CZ-CD2 4.09Å; F421-L467 HydrophobicContact CZ-CG 3.83Å; F421-V478 HydrophobicContact CD1-CG2 3.87Å; F421-V478 HydrophobicContact CD2-CG1 4.23Å; F421-V478 HydrophobicContact CE1-CG1 4.28Å; F421-V478 HydrophobicContact CE1-CG2 3.65Å; F421-V478 HydrophobicContact CE2-CG1 3.89Å; F421-V478 HydrophobicContact CG-CG2 4.47Å; F421-V478 HydrophobicContact CZ-CG1 3.9Å; F421-V478 HydrophobicContact CZ-CG2 4.09Å
422	Q	95.3	Very high	90.1	Very high	88 Å²	88	60.2 Å²	60.2	41%	0.411	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	105.7	179.8	-65.3	-178.7	-10.7	0	0	109.9	V424 G476 K477	Q422-V424 PolarHBondContact O-N 3.38Å; Q422-G476 VanDerWaalsContact O-CA 3.27Å; Q422-G476 WeakPolarHBondContact O-CA 3.31Å; Q422-K477 PolarHBondContact N-O 3.41Å; Q422-K477 PolarHBondContact O-N 3.02Å
423	D	94.4	Very high	90.1	Very high	104 Å²	104	65.8 Å²	65.8	56%	0.556	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50	43	176.7	-165.3	34	0	0	0	113.3	S425 G439 L440 T441 G476	D423-S425 PolarHBondContact O-N 2.99Å; D423-G439 WeakPolarHBondContact OD1-CA 3.45Å; D423-L440 PolarHBondContact N-O 3.4Å; D423-T441 PolarHBondContact N-OG1 3.43Å; D423-G476 WeakPolarHBondContact O-CA 3.22Å; D423-G476 PolarHBondContact O-N 3.44Å
424	V	95.3	Very high	90.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.9	-170.2	174.1	0	0	0	0	110.9	F421 Q422 G439 L440 L466 P473 G475 K477 V478	F421-V424 HydrophobicContact CB-CG2 4.21Å; F421-V424 HydrophobicContact CD1-CB 3.91Å; F421-V424 HydrophobicContact CD1-CG1 4.13Å; F421-V424 HydrophobicContact CD1-CG2 3.73Å; F421-V424 HydrophobicContact CE1-CG1 4.39Å; F421-V424 HydrophobicContact CG-CG2 4.36Å; Q422-V424 PolarHBondContact O-N 3.38Å; V424-G439 PolarHBondContact O-N 3.39Å; V424-L440 HydrophobicContact CB-CB 4.25Å; V424-L440 PolarHBondContact N-O 2.95Å; V424-L440 WeakPolarHBondContact O-CB 3.4Å; V424-L440 PolarHBondContact O-N 3.18Å; V424-L466 HydrophobicContact CG1-CD1 3.98Å; V424-P473 HydrophobicContact CG1-CB 3.79Å; V424-G475 WeakPolarHBondContact CA-O 3.27Å; V424-K477 VanDerWaalsContact CG2-O 3.26Å; V424-K477 WeakPolarHBondContact CG2-O 3.38Å; V424-V478 HydrophobicContact CG1-CG2 4.33Å; V424-V478 HydrophobicContact CG2-CG2 3.82Å
425	S	94.4	Very high	90.7	Very high	22 Å²	22	60 Å²	60	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.3	172.1	-65.7	0	0	0	0	109.8	D423 L437 G439 T474 G475	D423-S425 PolarHBondContact O-N 2.99Å; S425-L437 VanDerWaalsContact CA-O 3.29Å; S425-L437 WeakPolarHBondContact CA-O 3.49Å; S425-G439 PolarHBondContact OG-N 3.12Å; S425-G439 VanDerWaalsContact OG-N 3.17Å; S425-T474 VanDerWaalsContact C-OG1 3.25Å; S425-T474 PolarHBondContact O-N 3.35Å; S425-T474 PolarHBondContact O-OG1 2.92Å; S425-G475 PolarHBondContact N-O 3.48Å; S425-G475 PolarHBondContact O-N 3.48Å; S425-G475 VanDerWaalsContact O-N 3.11Å
426	F	94.2	Very high	91	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139.3	-178.6	-178.4	-99.7	0	0	0	112.7	Y428 V436 L437 T462 L466 Y471 Q472 T474	F426-Y428 AromaticContact CE1-CD1 3.77Å; F426-Y428 HydrophobicContact CE1-CD1 3.77Å; F426-Y428 AromaticContact CE1-CD2 3.89Å; F426-Y428 HydrophobicContact CE1-CD2 3.89Å; F426-Y428 AromaticContact CE1-CE1 3.81Å; F426-Y428 HydrophobicContact CE1-CE1 3.81Å; F426-Y428 AromaticContact CE1-CE2 3.92Å; F426-Y428 HydrophobicContact CE1-CE2 3.92Å; F426-Y428 AromaticContact CE1-CG 3.8Å; F426-Y428 HydrophobicContact CE1-CG 3.8Å; F426-Y428 AromaticContact CE1-CZ 3.88Å; F426-Y428 HydrophobicContact CZ-CD1 4.01Å; F426-Y428 HydrophobicContact CZ-CE1 4.21Å; F426-Y428 HydrophobicContact CZ-CG 4.33Å; F426-V436 PolarHBondContact O-N 3.47Å; F426-L437 HydrophobicContact CB-CB 4.1Å; F426-L437 HydrophobicContact CB-CD1 4.11Å; F426-L437 HydrophobicContact CB-CG 4.29Å; F426-L437 PolarHBondContact N-O 2.86Å; F426-L437 PolarHBondContact O-N 3.4Å; F426-T462 HydrophobicContact CD1-CG2 3.27Å; F426-T462 HydrophobicContact CE1-CG2 3.59Å; F426-T462 HydrophobicContact CG-CG2 4.14Å; F426-L466 HydrophobicContact CB-CD1 4.21Å; F426-L466 HydrophobicContact CD2-CD2 3.85Å; F426-L466 HydrophobicContact CE2-CD2 4.13Å; F426-L466 HydrophobicContact CG-CD1 4.39Å; F426-L466 HydrophobicContact CG-CD2 4.31Å; F426-Y471 HydrophobicContact CE2-CG 4.2Å; F426-Y471 HydrophobicContact CZ-CD1 4.1Å; F426-Y471 HydrophobicContact CZ-CD2 4.35Å; F426-Y471 AromaticContact CZ-CG 3.77Å; F426-Y471 HydrophobicContact CZ-CG 3.77Å; F426-Q472 WeakPolarHBondContact CD2-O 3.49Å; F426-Q472 WeakPolarHBondContact CE2-O 3.23Å; F426-T474 VanDerWaalsContact CA-OG1 3.29Å; F426-T474 WeakPolarHBondContact CA-OG1 3.27Å; F426-T474 HydrophobicContact CD2-CG2 4.45Å; F426-T474 PolarHBondContact N-OG1 3.31Å
427	A	91.8	Very high	91.3	Very high	9 Å²	9	53.5 Å²	53.5	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.6	169.5	0	0	0	0	0	109.5	P432 V434 T474	A427-P432 WeakPolarHBondContact CB-O 3.39Å; A427-V434 WeakPolarHBondContact CB-O 3.45Å; A427-T474 HydrophobicContact CB-CG2 4.42Å
428	Y	89.8	Confident	91.5	Very high	59 Å²	59	58.2 Å²	58.2	23%	0.231	30%	0.304	C	S	.	.			trans	-69.7	143.9	178.7	-78	-81.1	0	0	0	111.1	L193 F426 N430 H431 V436 T462 Y471	L193-Y428 HydrophobicContact CD1-CD1 4.15Å; F426-Y428 AromaticContact CE1-CD1 3.77Å; F426-Y428 HydrophobicContact CE1-CD1 3.77Å; F426-Y428 AromaticContact CE1-CD2 3.89Å; F426-Y428 HydrophobicContact CE1-CD2 3.89Å; F426-Y428 AromaticContact CE1-CE1 3.81Å; F426-Y428 HydrophobicContact CE1-CE1 3.81Å; F426-Y428 AromaticContact CE1-CE2 3.92Å; F426-Y428 HydrophobicContact CE1-CE2 3.92Å; F426-Y428 AromaticContact CE1-CG 3.8Å; F426-Y428 HydrophobicContact CE1-CG 3.8Å; F426-Y428 AromaticContact CE1-CZ 3.88Å; F426-Y428 HydrophobicContact CZ-CD1 4.01Å; F426-Y428 HydrophobicContact CZ-CE1 4.21Å; F426-Y428 HydrophobicContact CZ-CG 4.33Å; Y428-N430 PolarHBondContact O-N 2.86Å; Y428-H431 CarbonylContact O-C 3.56Å; Y428-H431 PolarHBondContact O-N 2.99Å; Y428-V436 HydrophobicContact CD2-CG2 3.79Å; Y428-V436 HydrophobicContact CE2-CG1 4.47Å; Y428-V436 HydrophobicContact CE2-CG2 3.99Å; Y428-T462 HydrophobicContact CE2-CG2 4.21Å; Y428-T462 PolarHBondContact OH-OG1 3.32Å; Y428-Y471 HydrophobicContact CD1-CE1 4.49Å; Y428-Y471 HydrophobicContact CE1-CD2 4.43Å; Y428-Y471 HydrophobicContact CE1-CE2 4.02Å
429	P	84.4	Confident	91.3	Very high	52 Å²	52	57.6 Å²	57.6	34%	0.338	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	-179.8	-27.1	35.3	0	0	0	115.6	K194	K194-P429 WeakPolarHBondContact CE-O 3.48Å; K194-P429 PolarHBondContact NZ-O 3.05Å
430	N	83.6	Confident	91.2	Very high	61 Å²	61	57.6 Å²	57.6	33%	0.326	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-26.6	176.7	-69.4	8.3	0	0	0	112.3	L193 K194 Y428	L193-N430 PolarHBondContact O-ND2 3.41Å; K194-N430 WeakPolarHBondContact CE-OD1 3.28Å; K194-N430 WeakPolarHBondContact CG-OD1 3.22Å; Y428-N430 PolarHBondContact O-N 2.86Å
431	H	86.1	Confident	91.1	Very high	128 Å²	128	57.5 Å²	57.5	59%	0.593	31%	0.314	S	S	*	.			trans	-136.7	68.2	-178.7	-63.3	-67.7	0	0	0	110	Y428 N433 V434	Y428-H431 CarbonylContact O-C 3.56Å; Y428-H431 PolarHBondContact O-N 2.99Å; H431-N433 PolarHBondContact O-N 3.5Å; H431-N433 VanDerWaalsContact O-N 3.14Å; H431-V434 HydrophobicContact CB-CB 4.38Å; H431-V434 HydrophobicContact CB-CG2 4.41Å; H431-V434 PolarHBondContact O-N 3.33Å; H431-V434 VanDerWaalsContact O-N 3.11Å
432	P	84.3	Confident	91.1	Very high	86 Å²	86	57.8 Å²	57.8	56%	0.558	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.1	-174.2	26.4	-35.3	0	0	0	113.3	A427 V434	A427-P432 WeakPolarHBondContact CB-O 3.39Å; P432-V434 VanDerWaalsContact C-N 3.31Å
433	N	87	Confident	91.1	Very high	159 Å²	159	55.1 Å²	55.1	85%	0.85	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.2	-179.5	-61.9	-14.6	0	0	0	113.3	H431	H431-N433 PolarHBondContact O-N 3.5Å; H431-N433 VanDerWaalsContact O-N 3.14Å
434	V	88.4	Confident	91.2	Very high	89 Å²	89	50.2 Å²	50.2	54%	0.539	28%	0.279	S	S	.	.	S	Bend	trans	-108.1	104.4	-178.5	-176.9	0	0	0	0	108.6	A427 H431 P432 V436	A427-V434 WeakPolarHBondContact CB-O 3.45Å; H431-V434 HydrophobicContact CB-CB 4.38Å; H431-V434 HydrophobicContact CB-CG2 4.41Å; H431-V434 PolarHBondContact O-N 3.33Å; H431-V434 VanDerWaalsContact O-N 3.11Å; P432-V434 VanDerWaalsContact C-N 3.31Å; V434-V436 PolarHBondContact O-N 2.85Å
435	Q	89.3	Confident	91.1	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.3	174.5	-71	-174.1	-9.3	0	0	109.9	Q438	Q435-Q438 HydrophobicContact CB-CG 4.05Å
436	V	93	Very high	91	Very high	34 Å²	34	57.1 Å²	57.1	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-35.5	177.3	178.9	0	0	0	0	111.1	F426 Y428 V434 T462 G634	F426-V436 PolarHBondContact O-N 3.47Å; Y428-V436 HydrophobicContact CD2-CG2 3.79Å; Y428-V436 HydrophobicContact CE2-CG1 4.47Å; Y428-V436 HydrophobicContact CE2-CG2 3.99Å; V434-V436 PolarHBondContact O-N 2.85Å; V436-T462 HydrophobicContact CG1-CG2 4.3Å; V436-G634 WeakPolarHBondContact O-CA 3.49Å
437	L	93.9	Very high	90.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	173.9	-58	177.8	0	0	0	109.2	S425 F426 L440 T462 V463 L466 G634	S425-L437 VanDerWaalsContact CA-O 3.29Å; S425-L437 WeakPolarHBondContact CA-O 3.49Å; F426-L437 HydrophobicContact CB-CB 4.1Å; F426-L437 HydrophobicContact CB-CD1 4.11Å; F426-L437 HydrophobicContact CB-CG 4.29Å; F426-L437 PolarHBondContact N-O 2.86Å; F426-L437 PolarHBondContact O-N 3.4Å; L437-L440 HydrophobicContact CD1-CD2 4.14Å; L437-L440 HydrophobicContact CD2-CD2 4.21Å; L437-T462 HydrophobicContact CD1-CG2 3.9Å; L437-T462 HydrophobicContact CG-CG2 4.15Å; L437-V463 HydrophobicContact CD1-CG2 4.2Å; L437-V463 HydrophobicContact CD2-CG2 4.2Å; L437-L466 HydrophobicContact CD1-CD1 3.5Å; L437-L466 VanDerWaalsContact CD1-CD1 3.5Å; L437-G634 WeakPolarHBondContact CA-O 3.39Å
438	Q	93.1	Very high	90.8	Very high	98 Å²	98	62.3 Å²	62.3	46%	0.458	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	102.7	-173.6	-60.2	-179.5	19.8	0	0	109.6	Q435 L440 G634	Q435-Q438 HydrophobicContact CB-CG 4.05Å; Q438-L440 VanDerWaalsContact C-N 3.32Å; Q438-L440 PolarHBondContact O-N 3.35Å; Q438-G634 PolarHBondContact N-O 3.01Å
439	G	91.2	Very high	91	Very high	30 Å²	30	59.7 Å²	59.7	31%	0.309	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.6	34.7	174.7	0	0	0	0	0	115.2	D423 V424 S425 T441	D423-G439 WeakPolarHBondContact OD1-CA 3.45Å; V424-G439 PolarHBondContact O-N 3.39Å; S425-G439 PolarHBondContact OG-N 3.12Å; S425-G439 VanDerWaalsContact OG-N 3.17Å; G439-T441 PolarHBondContact O-N 3.36Å; G439-T441 PolarHBondContact O-OG1 3.49Å
440	L	93.8	Very high	91.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.2	-171.9	-166.6	73.9	0	0	0	112	F421 D423 V424 L437 Q438 F442 V463 L631 V636	F421-L440 HydrophobicContact CD1-CD2 4.12Å; F421-L440 HydrophobicContact CE1-CD2 4.46Å; D423-L440 PolarHBondContact N-O 3.4Å; V424-L440 HydrophobicContact CB-CB 4.25Å; V424-L440 PolarHBondContact N-O 2.95Å; V424-L440 WeakPolarHBondContact O-CB 3.4Å; V424-L440 PolarHBondContact O-N 3.18Å; L437-L440 HydrophobicContact CD1-CD2 4.14Å; L437-L440 HydrophobicContact CD2-CD2 4.21Å; Q438-L440 VanDerWaalsContact C-N 3.32Å; Q438-L440 PolarHBondContact O-N 3.35Å; L440-F442 HydrophobicContact CD2-CD1 4.24Å; L440-F442 HydrophobicContact CD2-CE1 3.6Å; L440-F442 HydrophobicContact CG-CD1 3.97Å; L440-F442 HydrophobicContact CG-CE1 3.85Å; L440-V463 HydrophobicContact CD2-CG2 3.61Å; L440-L631 HydrophobicContact CD1-CD1 3.41Å; L440-L631 VanDerWaalsContact CD1-CD1 3.41Å; L440-V636 HydrophobicContact CD1-CG2 3.49Å; L440-V636 VanDerWaalsContact CD1-CG2 3.49Å; L440-V636 HydrophobicContact CG-CG2 4.41Å
441	T	94.6	Very high	92	Very high	80 Å²	80	54.4 Å²	54.4	49%	0.491	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116.5	-178.5	-58.8	0	0	0	0	111.3	F421 D423 G439	F421-T441 WeakPolarHBondContact O-CA 3.38Å; F421-T441 WeakPolarHBondContact O-CG2 3.45Å; D423-T441 PolarHBondContact N-OG1 3.43Å; G439-T441 PolarHBondContact O-N 3.36Å; G439-T441 PolarHBondContact O-OG1 3.49Å
442	F	95.3	Very high	92.4	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	171.1	173.2	66.1	-87.6	0	0	0	110.7	F421 L440 L444 V463 L629 V636	F421-F442 HydrophobicContact CB-CD1 3.94Å; F421-F442 HydrophobicContact CB-CE1 3.86Å; F421-F442 HydrophobicContact CB-CG 4.46Å; F421-F442 HydrophobicContact CB-CZ 4.34Å; F421-F442 AromaticContact CD1-CE1 3.97Å; F421-F442 HydrophobicContact CD1-CE1 3.97Å; F421-F442 HydrophobicContact CD1-CZ 4.27Å; F421-F442 HydrophobicContact CD2-CD1 4.38Å; F421-F442 HydrophobicContact CD2-CD2 4.42Å; F421-F442 AromaticContact CD2-CE1 3.65Å; F421-F442 HydrophobicContact CD2-CE1 3.65Å; F421-F442 AromaticContact CD2-CE2 3.71Å; F421-F442 HydrophobicContact CD2-CE2 3.71Å; F421-F442 AromaticContact CD2-CZ 3.27Å; F421-F442 HydrophobicContact CD2-CZ 3.27Å; F421-F442 HydrophobicContact CE1-CE1 4.47Å; F421-F442 HydrophobicContact CE1-CZ 4.46Å; F421-F442 HydrophobicContact CE2-CE1 4.16Å; F421-F442 HydrophobicContact CE2-CE2 4.07Å; F421-F442 AromaticContact CE2-CZ 3.49Å; F421-F442 HydrophobicContact CE2-CZ 3.49Å; F421-F442 VanDerWaalsContact CE2-CZ 3.49Å; F421-F442 HydrophobicContact CG-CD1 4.15Å; F421-F442 AromaticContact CG-CE1 3.55Å; F421-F442 HydrophobicContact CG-CE1 3.55Å; F421-F442 HydrophobicContact CG-CE2 4.41Å; F421-F442 AromaticContact CG-CZ 3.71Å; F421-F442 HydrophobicContact CG-CZ 3.71Å; F421-F442 HydrophobicContact CZ-CZ 4.11Å; F421-F442 PolarHBondContact N-O 3.15Å; F421-F442 PolarHBondContact O-N 3.07Å; L440-F442 HydrophobicContact CD2-CD1 4.24Å; L440-F442 HydrophobicContact CD2-CE1 3.6Å; L440-F442 HydrophobicContact CG-CD1 3.97Å; L440-F442 HydrophobicContact CG-CE1 3.85Å; F442-L444 HydrophobicContact CD2-CD2 3.95Å; F442-L444 HydrophobicContact CD2-CG 4.22Å; F442-L444 HydrophobicContact CE2-CD1 4.28Å; F442-L444 HydrophobicContact CE2-CD2 3.68Å; F442-L444 HydrophobicContact CE2-CG 3.78Å; F442-V463 HydrophobicContact CE1-CG1 4.33Å; F442-V463 HydrophobicContact CZ-CG1 3.77Å; F442-L629 HydrophobicContact CB-CD1 4.1Å; F442-L629 HydrophobicContact CB-CD2 4.1Å; F442-L629 HydrophobicContact CD1-CD1 4.36Å; F442-L629 HydrophobicContact CD2-CD1 3.46Å; F442-L629 VanDerWaalsContact CD2-CD1 3.46Å; F442-L629 HydrophobicContact CE2-CD1 3.93Å; F442-L629 HydrophobicContact CG-CD1 3.71Å; F442-V636 HydrophobicContact CD1-CG2 4.28Å
443	T	95.6	Very high	92.8	Very high	33 Å²	33	44.4 Å²	44.4	20%	0.202	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.5	179.3	-58.7	0	0	0	0	110.7	L418 V419 K420 Y445	L418-T443 HydrophobicContact CD1-CG2 3.8Å; V419-T443 CarbonylContact O-C 3.59Å; V419-T443 VanDerWaalsContact O-CA 3.26Å; V419-T443 WeakPolarHBondContact O-CA 3.35Å; V419-T443 WeakPolarHBondContact O-CG2 3.12Å; K420-T443 HydrophobicContact CG-CG2 3.91Å; T443-Y445 HydrophobicContact CG2-CD1 4.3Å; T443-Y445 HydrophobicContact CG2-CD2 4.29Å; T443-Y445 HydrophobicContact CG2-CE1 3.87Å; T443-Y445 HydrophobicContact CG2-CE2 3.86Å; T443-Y445 HydrophobicContact CG2-CG 4.5Å
444	L	95.7	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.8	169.1	-50.5	176	0	0	0	109	L418 V419 F442 T450 L467 L579 T611 L613	L418-L444 WeakPolarHBondContact CD1-O 3.4Å; V419-L444 HydrophobicContact CB-CB 3.97Å; V419-L444 HydrophobicContact CB-CD1 4.08Å; V419-L444 HydrophobicContact CB-CG 4.15Å; V419-L444 HydrophobicContact CG1-CD1 4.35Å; V419-L444 HydrophobicContact CG2-CB 4.45Å; V419-L444 HydrophobicContact CG2-CD1 4.26Å; V419-L444 PolarHBondContact N-O 2.9Å; V419-L444 PolarHBondContact O-N 3.43Å; F442-L444 HydrophobicContact CD2-CD2 3.95Å; F442-L444 HydrophobicContact CD2-CG 4.22Å; F442-L444 HydrophobicContact CE2-CD1 4.28Å; F442-L444 HydrophobicContact CE2-CD2 3.68Å; F442-L444 HydrophobicContact CE2-CG 3.78Å; L444-T450 HydrophobicContact CD2-CG2 3.67Å; L444-L467 HydrophobicContact CD1-CD1 4.12Å; L444-L579 HydrophobicContact CD1-CD1 4.43Å; L444-T611 HydrophobicContact CB-CG2 3.64Å; L444-T611 HydrophobicContact CD1-CG2 4.47Å; L444-L613 HydrophobicContact CD1-CB 4.18Å; L444-L613 HydrophobicContact CD1-CD1 4.43Å; L444-L613 HydrophobicContact CD1-CD2 4.47Å; L444-L613 HydrophobicContact CD2-CD1 4.14Å
445	Y	93.8	Very high	92.9	Very high	111 Å²	111	36.3 Å²	36.3	44%	0.435	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-102.2	144	-175.6	-67.2	-84.8	0	0	0	111.9	L418 T443 K448	L418-Y445 HydrophobicContact CD1-CD1 3.74Å; L418-Y445 HydrophobicContact CD1-CE1 4.12Å; L418-Y445 HydrophobicContact CD1-CG 4.45Å; T443-Y445 HydrophobicContact CG2-CD1 4.3Å; T443-Y445 HydrophobicContact CG2-CD2 4.29Å; T443-Y445 HydrophobicContact CG2-CE1 3.87Å; T443-Y445 HydrophobicContact CG2-CE2 3.86Å; T443-Y445 HydrophobicContact CG2-CG 4.5Å; Y445-K448 PolarHBondContact O-N 3.23Å
446	P	92.3	Very high	92.7	Very high	57 Å²	57	37.5 Å²	37.5	37%	0.37	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	140.9	173.1	27.6	-34.9	0	0	0	111.8	K416 K448 T611	K416-P446 VanDerWaalsContact O-CB 3.32Å; K416-P446 WeakPolarHBondContact O-CB 3.22Å; P446-K448 PolarHBondContact O-N 2.81Å; P446-T611 VanDerWaalsContact CA-OG1 3.29Å; P446-T611 WeakPolarHBondContact CA-OG1 3.44Å
447	G	89.6	Confident	92.3	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.4	-178.1	0	0	0	0	0	114.7	A608 R610	G447-A608 WeakPolarHBondContact CA-O 3.35Å; G447-R610 VanDerWaalsContact CA-O 3.26Å; G447-R610 WeakPolarHBondContact CA-O 3.28Å; G447-R610 PolarHBondContact N-O 3.45Å
448	K	91.8	Very high	92	Very high	97 Å²	97	39.9 Å²	39.9	42%	0.422	24%	0.243	S	C	.	.			trans	-116.9	136.2	177.3	-64.3	-165.7	-177.5	179.6	0	111.4	Y445 P446 V612 H626	Y445-K448 PolarHBondContact O-N 3.23Å; P446-K448 PolarHBondContact O-N 2.81Å; K448-V612 PolarHBondContact O-N 3.34Å; K448-H626 HydrophobicContact CB-CB 4.21Å; K448-H626 HydrophobicContact CD-CB 4.44Å; K448-H626 HydrophobicContact CG-CB 4.41Å
449	V	93.6	Very high	91.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.7	166.8	-174.1	0	0	0	0	108.6	Y602 V612 L614 H626 H627	V449-Y602 HydrophobicContact CB-CE1 3.84Å; V449-Y602 HydrophobicContact CG1-CE1 4.13Å; V449-Y602 HydrophobicContact CG2-CD1 4.13Å; V449-Y602 HydrophobicContact CG2-CE1 3.78Å; V449-V612 HydrophobicContact CB-CB 4.41Å; V449-V612 HydrophobicContact CG1-CB 4.25Å; V449-V612 HydrophobicContact CG1-CG1 4.15Å; V449-V612 HydrophobicContact CG2-CB 4.13Å; V449-V612 HydrophobicContact CG2-CG2 4.4Å; V449-L614 HydrophobicContact CG1-CB 4.38Å; V449-H626 PolarHBondContact N-ND1 3.33Å; V449-H626 PolarHBondContact O-N 2.91Å; V449-H627 PolarHBondContact O-N 3.49Å
450	T	95.2	Very high	91.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.6	175.6	-54	0	0	0	0	109.4	L444 V612 L614 H627 L629	L444-T450 HydrophobicContact CD2-CG2 3.67Å; T450-V612 PolarHBondContact N-O 3.34Å; T450-L614 PolarHBondContact O-N 3.37Å; T450-H627 CarbonylContact C-O 3.5Å; T450-H627 VanDerWaalsContact CA-O 3.24Å; T450-H627 WeakPolarHBondContact CA-O 3.49Å; T450-H627 HydrophobicContact CG2-CB 4.24Å; T450-L629 HydrophobicContact CG2-CD1 3.71Å; T450-L629 HydrophobicContact CG2-CG 3.89Å
451	A	94.8	Very high	91.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.9	174.2	0	0	0	0	0	110.9	L614 A622 A625 H627 I628 L629	A451-L614 CarbonylContact C-O 3.55Å; A451-L614 WeakPolarHBondContact CA-O 3.28Å; A451-A622 HydrophobicContact CB-CB 4.32Å; A451-A625 HydrophobicContact CB-CB 3.53Å; A451-H627 PolarHBondContact N-O 3.44Å; A451-I628 HydrophobicContact CB-CG1 4.35Å; A451-I628 CarbonylContact O-C 3.59Å; A451-I628 WeakPolarHBondContact O-CA 3.37Å; A451-L629 PolarHBondContact O-N 2.85Å
452	L	94.4	Very high	91.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.9	173	-176.5	65.4	0	0	0	108.9	K460 V463 L613 L614 I615 L629 L631	L452-K460 HydrophobicContact CD2-CB 4.06Å; L452-K460 HydrophobicContact CD2-CG 4.25Å; L452-K460 HydrophobicContact CG-CB 4.46Å; L452-K460 HydrophobicContact CG-CG 4.18Å; L452-V463 HydrophobicContact CD2-CB 4.08Å; L452-V463 HydrophobicContact CD2-CG1 4.22Å; L452-V463 HydrophobicContact CD2-CG2 4.21Å; L452-L613 HydrophobicContact CB-CD1 4.05Å; L452-L614 PolarHBondContact N-O 3.18Å; L452-I615 HydrophobicContact CB-CG1 4.04Å; L452-I615 HydrophobicContact CD2-CD1 4.48Å; L452-I615 HydrophobicContact CD2-CG1 4.06Å; L452-I615 HydrophobicContact CG-CG1 4.47Å; L452-I615 WeakPolarHBondContact O-CA 3.4Å; L452-L629 WeakPolarHBondContact CA-O 3.42Å; L452-L629 HydrophobicContact CD1-CB 3.68Å; L452-L629 HydrophobicContact CD1-CD1 4.41Å; L452-L631 HydrophobicContact CD1-CB 4.01Å; L452-L631 HydrophobicContact CD1-CD1 4.42Å; L452-L631 HydrophobicContact CD1-CD2 4.48Å
453	V	92.6	Very high	91.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.4	-174	-64.7	0	0	0	0	110.8	A622 I628 L629 F630 L631 Y652 M655	V453-A622 HydrophobicContact CG1-CB 3.92Å; V453-I628 HydrophobicContact CG2-CG2 3.65Å; V453-L629 WeakPolarHBondContact CG2-O 3.38Å; V453-L629 PolarHBondContact N-O 3.35Å; V453-F630 HydrophobicContact CG2-CB 4.35Å; V453-F630 HydrophobicContact CG2-CD2 3.84Å; V453-F630 WeakPolarHBondContact O-CA 3.17Å; V453-L631 PolarHBondContact O-N 3.06Å; V453-Y652 HydrophobicContact CG2-CD2 3.95Å; V453-Y652 HydrophobicContact CG2-CE2 4.04Å; V453-M655 HydrophobicContact CB-CE 4.08Å; V453-M655 HydrophobicContact CB-SD 4.45Å; V453-M655 HydrophobicContact CG2-CE 4.22Å
454	G	90.3	Very high	91.5	Very high	10 Å²	10	32.1 Å²	32.1	10%	0.103	20%	0.2	C	C	.	.			trans	153.5	169.6	178.7	0	0	0	0	0	112.6	K460 L631	G454-K460 PolarHBondContact O-NZ 3.47Å; G454-L631 WeakPolarHBondContact CA-O 3.34Å
455	P	86.8	Confident	91.4	Very high	68 Å²	68	32.7 Å²	32.7	44%	0.442	20%	0.204	S	C	.	.			trans	-61.2	161.9	-177.9	25	-34.3	0	0	0	112.8	S458 K460 L631	P455-S458 WeakPolarHBondContact O-CB 3.37Å; P455-S458 PolarHBondContact O-N 3.04Å; P455-S458 PolarHBondContact O-OG 3.26Å; P455-K460 PolarHBondContact O-NZ 2.88Å; P455-L631 WeakPolarHBondContact CD-O 3.23Å
456	N	85.9	Confident	91.3	Very high	128 Å²	128	27.5 Å²	27.5	68%	0.684	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	141.4	172.1	-69.5	-21	0	0	0	110.2	S458 Q617	N456-S458 VanDerWaalsContact C-N 3.32Å; N456-S458 PolarHBondContact O-N 3.47Å; N456-Q617 PolarHBondContact OD1-NE2 3.33Å
457	G	83.5	Confident	91.4	Very high	81 Å²	81	24.9 Å²	24.9	84%	0.835	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.4	-177.3	0	0	0	0	0	116.1	G459	G457-G459 PolarHBondContact O-N 3.5Å
458	S	87.9	Confident	91.5	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	16%	0.164	C	C	.	.	S	Bend	trans	-70.2	-8.8	177.8	48.5	0	0	0	0	115.7	P455 N456 K460 L631 G634	P455-S458 WeakPolarHBondContact O-CB 3.37Å; P455-S458 PolarHBondContact O-N 3.04Å; P455-S458 PolarHBondContact O-OG 3.26Å; N456-S458 VanDerWaalsContact C-N 3.32Å; N456-S458 PolarHBondContact O-N 3.47Å; S458-K460 WeakPolarHBondContact OG-CG 3.36Å; S458-K460 PolarHBondContact OG-NZ 3.17Å; S458-L631 WeakPolarHBondContact CB-O 3.26Å; S458-L631 WeakPolarHBondContact O-CD2 3.39Å; S458-G634 WeakPolarHBondContact O-CA 3.22Å; S458-G634 PolarHBondContact O-N 2.95Å
459	G	89.7	Confident	91.4	Very high	6 Å²	6	22 Å²	22	6%	0.062	15%	0.149	C	C	.	.	S	Bend	trans	100.1	10.8	179.7	0	0	0	0	0	115.9	G457 S461 T462 V463	G457-G459 PolarHBondContact O-N 3.5Å; G459-S461 PolarHBondContact O-N 3.04Å; G459-T462 WeakPolarHBondContact O-CA 3.42Å; G459-T462 VanDerWaalsContact O-CB 3.23Å; G459-T462 WeakPolarHBondContact O-CB 3.26Å; G459-T462 PolarHBondContact O-N 3.49Å; G459-T462 VanDerWaalsContact O-N 3.1Å; G459-V463 PolarHBondContact O-N 3.45Å
460	K	92.1	Very high	91.2	Very high	16 Å²	16	24.7 Å²	24.7	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-52.2	-177.5	-54.6	-176.2	-61	-79.5	0	113.4	L452 G454 P455 S458 T462 V463 A464 I615 L631	L452-K460 HydrophobicContact CD2-CB 4.06Å; L452-K460 HydrophobicContact CD2-CG 4.25Å; L452-K460 HydrophobicContact CG-CB 4.46Å; L452-K460 HydrophobicContact CG-CG 4.18Å; G454-K460 PolarHBondContact O-NZ 3.47Å; P455-K460 PolarHBondContact O-NZ 2.88Å; S458-K460 WeakPolarHBondContact OG-CG 3.36Å; S458-K460 PolarHBondContact OG-NZ 3.17Å; K460-T462 PolarHBondContact O-N 2.97Å; K460-V463 WeakPolarHBondContact O-CB 3.32Å; K460-V463 PolarHBondContact O-N 3.18Å; K460-V463 VanDerWaalsContact O-N 3.11Å; K460-A464 PolarHBondContact O-N 2.88Å; K460-I615 HydrophobicContact CB-CD1 4.3Å; K460-I615 HydrophobicContact CB-CG1 4.4Å; K460-I615 HydrophobicContact CB-CG2 3.7Å; K460-I615 HydrophobicContact CD-CG2 3.87Å; K460-I615 HydrophobicContact CG-CG2 4.36Å; K460-I615 WeakPolarHBondContact O-CD1 3.27Å; K460-L631 HydrophobicContact CG-CD2 4.04Å
461	S	90.9	Very high	90.9	Very high	54 Å²	54	26.2 Å²	26.2	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-65.7	-26	177	-50.6	0	0	0	0	112.4	G459 A464 A465 D583	G459-S461 PolarHBondContact O-N 3.04Å; S461-A464 PolarHBondContact O-N 3.22Å; S461-A465 WeakPolarHBondContact O-CB 3.17Å; S461-A465 PolarHBondContact O-N 3.02Å; S461-D583 VanDerWaalsContact CB-OD2 3.27Å; S461-D583 WeakPolarHBondContact CB-OD2 3.45Å; S461-D583 PolarHBondContact OG-OD2 3.39Å
462	T	93.1	Very high	90.6	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.043	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-40	172.9	-48.8	0	0	0	0	111.3	F426 Y428 V436 L437 G459 K460 A464 A465 L466	F426-T462 HydrophobicContact CD1-CG2 3.27Å; F426-T462 HydrophobicContact CE1-CG2 3.59Å; F426-T462 HydrophobicContact CG-CG2 4.14Å; Y428-T462 HydrophobicContact CE2-CG2 4.21Å; Y428-T462 PolarHBondContact OH-OG1 3.32Å; V436-T462 HydrophobicContact CG1-CG2 4.3Å; L437-T462 HydrophobicContact CD1-CG2 3.9Å; L437-T462 HydrophobicContact CG-CG2 4.15Å; G459-T462 WeakPolarHBondContact O-CA 3.42Å; G459-T462 VanDerWaalsContact O-CB 3.23Å; G459-T462 WeakPolarHBondContact O-CB 3.26Å; G459-T462 PolarHBondContact O-N 3.49Å; G459-T462 VanDerWaalsContact O-N 3.1Å; K460-T462 PolarHBondContact O-N 2.97Å; T462-A464 VanDerWaalsContact C-N 3.35Å; T462-A464 PolarHBondContact O-N 3Å; T462-A465 PolarHBondContact O-N 2.9Å; T462-L466 WeakPolarHBondContact O-CG 3.34Å; T462-L466 PolarHBondContact O-N 2.77Å
463	V	94.2	Very high	90.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-45.2	172.6	176.2	0	0	0	0	110.9	F421 L437 L440 F442 L452 G459 K460 A465 L466 L467 L613	F421-V463 HydrophobicContact CE1-CG1 4.38Å; F421-V463 HydrophobicContact CE2-CG1 4.4Å; F421-V463 HydrophobicContact CZ-CG1 3.92Å; L437-V463 HydrophobicContact CD1-CG2 4.2Å; L437-V463 HydrophobicContact CD2-CG2 4.2Å; L440-V463 HydrophobicContact CD2-CG2 3.61Å; F442-V463 HydrophobicContact CE1-CG1 4.33Å; F442-V463 HydrophobicContact CZ-CG1 3.77Å; L452-V463 HydrophobicContact CD2-CB 4.08Å; L452-V463 HydrophobicContact CD2-CG1 4.22Å; L452-V463 HydrophobicContact CD2-CG2 4.21Å; G459-V463 PolarHBondContact O-N 3.45Å; K460-V463 WeakPolarHBondContact O-CB 3.32Å; K460-V463 PolarHBondContact O-N 3.18Å; K460-V463 VanDerWaalsContact O-N 3.11Å; V463-A465 VanDerWaalsContact C-N 3.31Å; V463-A465 PolarHBondContact O-N 3.49Å; V463-L466 PolarHBondContact O-N 2.98Å; V463-L467 HydrophobicContact CG1-CD1 4.28Å; V463-L467 PolarHBondContact O-N 3.26Å; V463-L613 HydrophobicContact CG1-CD2 4.27Å
464	A	93.7	Very high	90.4	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-39.3	175.1	0	0	0	0	0	112.5	K460 S461 T462 Q468 I581 I615	K460-A464 PolarHBondContact O-N 2.88Å; S461-A464 PolarHBondContact O-N 3.22Å; T462-A464 VanDerWaalsContact C-N 3.35Å; T462-A464 PolarHBondContact O-N 3Å; A464-Q468 WeakPolarHBondContact O-CG 3.34Å; A464-Q468 PolarHBondContact O-N 3.01Å; A464-Q468 PolarHBondContact O-NE2 3.49Å; A464-I581 HydrophobicContact CB-CG2 3.74Å; A464-I615 HydrophobicContact CB-CD1 3.86Å
465	A	92.5	Very high	90.4	Very high	11 Å²	11	36.2 Å²	36.2	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-37.2	179.2	0	0	0	0	0	112.9	S461 T462 V463 Q468 N469 L470 Y471	S461-A465 WeakPolarHBondContact O-CB 3.17Å; S461-A465 PolarHBondContact O-N 3.02Å; T462-A465 PolarHBondContact O-N 2.9Å; V463-A465 VanDerWaalsContact C-N 3.31Å; V463-A465 PolarHBondContact O-N 3.49Å; A465-Q468 PolarHBondContact O-N 3.11Å; A465-N469 PolarHBondContact O-N 3.06Å; A465-L470 HydrophobicContact CB-CD1 4.48Å; A465-L470 WeakPolarHBondContact O-CB 3.28Å; A465-L470 PolarHBondContact O-N 3.19Å; A465-Y471 HydrophobicContact CB-CD2 3.77Å; A465-Y471 HydrophobicContact CB-CE2 3.98Å
466	L	92.8	Very high	90.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-39.6	173.7	-71	177.2	0	0	0	111.8	F421 V424 F426 L437 T462 V463 Q468 N469 Y471 L485	F421-L466 HydrophobicContact CE1-CB 4.44Å; F421-L466 HydrophobicContact CE1-CD1 4.34Å; V424-L466 HydrophobicContact CG1-CD1 3.98Å; F426-L466 HydrophobicContact CB-CD1 4.21Å; F426-L466 HydrophobicContact CD2-CD2 3.85Å; F426-L466 HydrophobicContact CE2-CD2 4.13Å; F426-L466 HydrophobicContact CG-CD1 4.39Å; F426-L466 HydrophobicContact CG-CD2 4.31Å; L437-L466 HydrophobicContact CD1-CD1 3.5Å; L437-L466 VanDerWaalsContact CD1-CD1 3.5Å; T462-L466 WeakPolarHBondContact O-CG 3.34Å; T462-L466 PolarHBondContact O-N 2.77Å; V463-L466 PolarHBondContact O-N 2.98Å; L466-Q468 VanDerWaalsContact C-N 3.28Å; L466-Q468 PolarHBondContact O-N 3.06Å; L466-N469 WeakPolarHBondContact O-CA 3.44Å; L466-N469 PolarHBondContact O-N 3.41Å; L466-Y471 VanDerWaalsContact CD2-O 3.3Å; L466-Y471 WeakPolarHBondContact CD2-O 3.46Å; L466-L485 WeakPolarHBondContact O-CD1 3.26Å
467	L	93.3	Very high	91.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-34.6	176.4	-86.1	171.1	0	0	0	113.6	V419 F421 L444 V463 N469 L579 I581 L613	V419-L467 HydrophobicContact CB-CD2 4.35Å; V419-L467 HydrophobicContact CG1-CD2 3.41Å; V419-L467 VanDerWaalsContact CG1-CD2 3.41Å; V419-L467 HydrophobicContact CG2-CD2 4.07Å; F421-L467 HydrophobicContact CE2-CD1 4.29Å; F421-L467 HydrophobicContact CE2-CD2 3.71Å; F421-L467 HydrophobicContact CE2-CG 3.84Å; F421-L467 HydrophobicContact CZ-CD1 4.48Å; F421-L467 HydrophobicContact CZ-CD2 4.09Å; F421-L467 HydrophobicContact CZ-CG 3.83Å; L444-L467 HydrophobicContact CD1-CD1 4.12Å; V463-L467 HydrophobicContact CG1-CD1 4.28Å; V463-L467 PolarHBondContact O-N 3.26Å; L467-N469 PolarHBondContact O-N 2.74Å; L467-L579 HydrophobicContact CD2-CD2 4.13Å; L467-I581 HydrophobicContact CB-CD1 3.64Å; L467-I581 HydrophobicContact CD1-CD1 4.12Å; L467-L613 HydrophobicContact CD1-CD2 3.37Å
468	Q	91.7	Very high	91.6	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.1	173.8	-70.6	171.6	82.1	0	0	112.6	A464 A465 L466 L470 H494 V497 A499 I581	A464-Q468 WeakPolarHBondContact O-CG 3.34Å; A464-Q468 PolarHBondContact O-N 3.01Å; A464-Q468 PolarHBondContact O-NE2 3.49Å; A465-Q468 PolarHBondContact O-N 3.11Å; L466-Q468 VanDerWaalsContact C-N 3.28Å; L466-Q468 PolarHBondContact O-N 3.06Å; Q468-L470 HydrophobicContact CB-CD1 4.12Å; Q468-L470 HydrophobicContact CB-CD2 4.46Å; Q468-L470 HydrophobicContact CB-CG 3.73Å; Q468-L470 PolarHBondContact O-N 3.29Å; Q468-L470 VanDerWaalsContact O-N 3.14Å; Q468-H494 PolarHBondContact O-CE1 3.27Å; Q468-H494 PolarHBondContact O-NE2 3.44Å; Q468-V497 HydrophobicContact CG-CG1 4.42Å; Q468-A499 HydrophobicContact CG-CB 3.97Å; Q468-A499 VanDerWaalsContact OE1-CB 3.31Å; Q468-I581 HydrophobicContact CG-CD1 4.04Å
469	N	91	Very high	91.9	Very high	22 Å²	22	31.7 Å²	31.7	12%	0.118	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	31.6	-173.3	-163.6	33.7	0	0	0	112.9	A465 L466 L467 Y471 L485 L493	A465-N469 PolarHBondContact O-N 3.06Å; L466-N469 WeakPolarHBondContact O-CA 3.44Å; L466-N469 PolarHBondContact O-N 3.41Å; L467-N469 PolarHBondContact O-N 2.74Å; N469-Y471 VanDerWaalsContact C-N 3.31Å; N469-L485 HydrophobicContact CB-CB 4.49Å; N469-L493 HydrophobicContact CB-CD2 3.56Å
470	L	89.2	Confident	92.1	Very high	60 Å²	60	31.5 Å²	31.5	31%	0.314	18%	0.184	S	C	.	.	S	Bend	trans	-74	-30.4	173.3	-61.2	178.2	0	0	0	110.6	T189 A465 Q468	T189-L470 HydrophobicContact CG2-CB 4.49Å; T189-L470 HydrophobicContact CG2-CD2 4.33Å; T189-L470 PolarHBondContact OG1-O 3.42Å; A465-L470 HydrophobicContact CB-CD1 4.48Å; A465-L470 WeakPolarHBondContact O-CB 3.28Å; A465-L470 PolarHBondContact O-N 3.19Å; Q468-L470 HydrophobicContact CB-CD1 4.12Å; Q468-L470 HydrophobicContact CB-CD2 4.46Å; Q468-L470 HydrophobicContact CB-CG 3.73Å; Q468-L470 PolarHBondContact O-N 3.29Å; Q468-L470 VanDerWaalsContact O-N 3.14Å
471	Y	89.4	Confident	92.2	Very high	33 Å²	33	33 Å²	33	13%	0.129	19%	0.193	C	C	.	.	S	Bend	trans	-129.9	152.9	172.4	-56.5	-81.2	0	0	0	109.6	L193 F426 Y428 A465 L466 N469	L193-Y471 HydrophobicContact CD1-CE1 4.11Å; L193-Y471 WeakPolarHBondContact CD1-OH 3.46Å; F426-Y471 HydrophobicContact CE2-CG 4.2Å; F426-Y471 HydrophobicContact CZ-CD1 4.1Å; F426-Y471 HydrophobicContact CZ-CD2 4.35Å; F426-Y471 AromaticContact CZ-CG 3.77Å; F426-Y471 HydrophobicContact CZ-CG 3.77Å; Y428-Y471 HydrophobicContact CD1-CE1 4.49Å; Y428-Y471 HydrophobicContact CE1-CD2 4.43Å; Y428-Y471 HydrophobicContact CE1-CE2 4.02Å; A465-Y471 HydrophobicContact CB-CD2 3.77Å; A465-Y471 HydrophobicContact CB-CE2 3.98Å; L466-Y471 VanDerWaalsContact CD2-O 3.3Å; L466-Y471 WeakPolarHBondContact CD2-O 3.46Å; N469-Y471 VanDerWaalsContact C-N 3.31Å
472	Q	88.5	Confident	92.2	Very high	72 Å²	72	32.7 Å²	32.7	34%	0.336	20%	0.198	S	C	.	.			trans	-95	142.7	171.2	-64	-172.7	-0.3	0	0	109.8	S404 F426 V486	S404-Q472 PolarHBondContact OG-NE2 3.46Å; F426-Q472 WeakPolarHBondContact CD2-O 3.49Å; F426-Q472 WeakPolarHBondContact CE2-O 3.23Å; Q472-V486 HydrophobicContact CG-CG2 4.16Å
473	P	91.5	Very high	92.2	Very high	37 Å²	37	36.6 Å²	36.6	24%	0.24	22%	0.216	C	C	.	.			trans	-63	144.8	175.4	29.4	-35.8	0	0	0	110.8	V424 V478	V424-P473 HydrophobicContact CG1-CB 3.79Å; P473-V478 HydrophobicContact CG-CG2 4.47Å
474	T	90.3	Very high	92	Very high	88 Å²	88	39.2 Å²	39.2	54%	0.54	23%	0.23	S	C	.	.	S	Bend	trans	-80.1	-24.4	176.2	56.3	0	0	0	0	112.1	S425 F426 A427	S425-T474 VanDerWaalsContact C-OG1 3.25Å; S425-T474 PolarHBondContact O-N 3.35Å; S425-T474 PolarHBondContact O-OG1 2.92Å; F426-T474 VanDerWaalsContact CA-OG1 3.29Å; F426-T474 WeakPolarHBondContact CA-OG1 3.27Å; F426-T474 HydrophobicContact CD2-CG2 4.45Å; F426-T474 PolarHBondContact N-OG1 3.31Å; A427-T474 HydrophobicContact CB-CG2 4.42Å
475	G	91.1	Very high	91.8	Very high	27 Å²	27	39.5 Å²	39.5	28%	0.278	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.1	172.2	0	0	0	0	0	110.9	V424 S425	V424-G475 WeakPolarHBondContact CA-O 3.27Å; S425-G475 PolarHBondContact N-O 3.48Å; S425-G475 PolarHBondContact O-N 3.48Å; S425-G475 VanDerWaalsContact O-N 3.11Å
476	G	92.9	Very high	91.6	Very high	40 Å²	40	41.9 Å²	41.9	41%	0.412	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-165.7	-176	0	0	0	0	0	113.9	Q422 D423	Q422-G476 VanDerWaalsContact O-CA 3.27Å; Q422-G476 WeakPolarHBondContact O-CA 3.31Å; D423-G476 WeakPolarHBondContact O-CA 3.22Å; D423-G476 PolarHBondContact O-N 3.44Å
477	K	93.8	Very high	91.4	Very high	115 Å²	115	45.8 Å²	45.8	50%	0.5	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.6	-175.3	-65.9	175.4	-179.3	178.1	0	111.6	Q422 V424 L484	Q422-K477 PolarHBondContact N-O 3.41Å; Q422-K477 PolarHBondContact O-N 3.02Å; V424-K477 VanDerWaalsContact CG2-O 3.26Å; V424-K477 WeakPolarHBondContact CG2-O 3.38Å; K477-L484 HydrophobicContact CB-CD2 3.86Å; K477-L484 HydrophobicContact CD-CD2 4.08Å; K477-L484 HydrophobicContact CG-CD2 3.9Å
478	V	94.6	Very high	91.3	Very high	8 Å²	8	46 Å²	46	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.2	168.2	-171.9	0	0	0	0	108.2	V419 F421 V424 P473 L485	V419-V478 HydrophobicContact CG1-CG1 4.45Å; F421-V478 HydrophobicContact CD1-CG2 3.87Å; F421-V478 HydrophobicContact CD2-CG1 4.23Å; F421-V478 HydrophobicContact CE1-CG1 4.28Å; F421-V478 HydrophobicContact CE1-CG2 3.65Å; F421-V478 HydrophobicContact CE2-CG1 3.89Å; F421-V478 HydrophobicContact CG-CG2 4.47Å; F421-V478 HydrophobicContact CZ-CG1 3.9Å; F421-V478 HydrophobicContact CZ-CG2 4.09Å; V424-V478 HydrophobicContact CG1-CG2 4.33Å; V424-V478 HydrophobicContact CG2-CG2 3.82Å; P473-V478 HydrophobicContact CG-CG2 4.47Å; V478-L485 HydrophobicContact CB-CD1 3.8Å; V478-L485 HydrophobicContact CB-CG 4.45Å; V478-L485 HydrophobicContact CG1-CD1 3.33Å; V478-L485 HydrophobicContact CG1-CG 4.1Å; V478-L485 PolarHBondContact O-N 3.21Å
479	L	94.7	Very high	91.2	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.2	-177.2	-56.1	168.9	0	0	0	110.3	V419 K420 E483 L484	V419-L479 CarbonylContact C-O 3.55Å; V419-L479 WeakPolarHBondContact CA-O 3.12Å; K420-L479 HydrophobicContact CB-CB 4.32Å; K420-L479 PolarHBondContact N-O 3.26Å; K420-L479 PolarHBondContact O-N 2.93Å; L479-E483 CarbonylContact C-O 3.49Å; L479-E483 WeakPolarHBondContact CA-O 3.49Å; L479-L484 HydrophobicContact CD2-CD2 3.64Å; L479-L484 HydrophobicContact CD2-CG 3.92Å
480	L	93.9	Very high	91	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	168.5	-178.5	65.2	0	0	0	107.1	M415 L418 V419 G482 E483 L485 Y488 L493	M415-L480 HydrophobicContact CE-CD2 3.57Å; M415-L480 HydrophobicContact CE-CG 4.37Å; M415-L480 HydrophobicContact SD-CD1 4.49Å; M415-L480 HydrophobicContact SD-CD2 3.91Å; M415-L480 HydrophobicContact SD-CG 4.42Å; L418-L480 CarbonylContact O-C 3.6Å; V419-L480 HydrophobicContact CG2-CD1 3.74Å; L480-G482 PolarHBondContact O-N 2.99Å; L480-E483 PolarHBondContact N-O 3.4Å; L480-E483 PolarHBondContact O-N 3.27Å; L480-L485 HydrophobicContact CB-CD2 3.95Å; L480-L485 HydrophobicContact CD2-CD2 4.13Å; L480-Y488 HydrophobicContact CB-CE2 3.91Å; L480-Y488 HydrophobicContact CD2-CE1 4.34Å; L480-Y488 HydrophobicContact CD2-CE2 4.29Å; L480-Y488 HydrophobicContact CG-CE2 4.43Å; L480-Y488 PolarHBondContact O-OH 3.13Å; L480-L493 HydrophobicContact CD2-CD1 3.79Å
481	D	93	Very high	91	Very high	48 Å²	48	52.3 Å²	52.3	26%	0.257	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	21.5	-175.4	-68.6	-21.7	0	0	0	115.8	M415 K416 G417 L418	M415-D481 VanDerWaalsContact CG-OD2 3.22Å; M415-D481 WeakPolarHBondContact CG-OD2 3.24Å; K416-D481 WeakPolarHBondContact CB-OD1 2.96Å; K416-D481 PolarHBondContact N-OD2 3.08Å; G417-D481 PolarHBondContact N-OD1 3.5Å; G417-D481 PolarHBondContact N-OD2 3.4Å; L418-D481 WeakPolarHBondContact CB-OD1 3.39Å; L418-D481 PolarHBondContact N-OD1 3.39Å; L418-D481 PolarHBondContact O-N 3.43Å
482	G	91.1	Very high	91.1	Very high	48 Å²	48	52.3 Å²	52.3	50%	0.495	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	-12.3	-179.6	0	0	0	0	0	114.7	L480	L480-G482 PolarHBondContact O-N 2.99Å
483	E	92.3	Very high	91.2	Very high	88 Å²	88	48.9 Å²	48.9	41%	0.411	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.1	178.9	-60.3	-61.9	165.6	0	0	111.4	L410 L479 L480 Q487 Y488	L410-E483 HydrophobicContact CD1-CG 4.17Å; L410-E483 HydrophobicContact CD2-CG 4.42Å; L479-E483 CarbonylContact C-O 3.49Å; L479-E483 WeakPolarHBondContact CA-O 3.49Å; L480-E483 PolarHBondContact N-O 3.4Å; L480-E483 PolarHBondContact O-N 3.27Å; E483-Q487 PolarHBondContact OE2-OE1 3.07Å; E483-Q487 VanDerWaalsContact OE2-OE1 3.12Å; E483-Y488 HydrophobicContact CB-CE2 3.81Å
484	L	91.6	Very high	91.2	Very high	56 Å²	56	48.8 Å²	48.8	29%	0.293	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.8	178.5	-72.6	165.8	0	0	0	110.9	K477 L479 V486 Q487 Y488	K477-L484 HydrophobicContact CB-CD2 3.86Å; K477-L484 HydrophobicContact CD-CD2 4.08Å; K477-L484 HydrophobicContact CG-CD2 3.9Å; L479-L484 HydrophobicContact CD2-CD2 3.64Å; L479-L484 HydrophobicContact CD2-CG 3.92Å; L484-V486 PolarHBondContact O-N 3.12Å; L484-Q487 HydrophobicContact CB-CG 4.11Å; L484-Q487 WeakPolarHBondContact O-CB 3.47Å; L484-Q487 PolarHBondContact O-N 3.1Å; L484-Y488 WeakPolarHBondContact O-CD2 3.33Å
485	L	89.3	Confident	91.1	Very high	10 Å²	10	48 Å²	48	5%	0.052	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.8	177.5	-82.9	174.8	0	0	0	113.5	L466 N469 V478 L480 Q487 Y488 L493	L466-L485 WeakPolarHBondContact O-CD1 3.26Å; N469-L485 HydrophobicContact CB-CB 4.49Å; V478-L485 HydrophobicContact CB-CD1 3.8Å; V478-L485 HydrophobicContact CB-CG 4.45Å; V478-L485 HydrophobicContact CG1-CD1 3.33Å; V478-L485 HydrophobicContact CG1-CG 4.1Å; V478-L485 PolarHBondContact O-N 3.21Å; L480-L485 HydrophobicContact CB-CD2 3.95Å; L480-L485 HydrophobicContact CD2-CD2 4.13Å; L485-Q487 PolarHBondContact O-N 3.24Å; L485-Y488 PolarHBondContact O-N 2.93Å; L485-L493 HydrophobicContact CD2-CD1 3.8Å; L485-L493 HydrophobicContact CD2-CD2 4.25Å
486	V	86.9	Confident	91.2	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.37	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-67.1	-21	-179.5	-175.4	0	0	0	0	113	Q472 L484	Q472-V486 HydrophobicContact CG-CG2 4.16Å; L484-V486 PolarHBondContact O-N 3.12Å
487	Q	89.6	Confident	91.2	Very high	83 Å²	83	46.7 Å²	46.7	39%	0.388	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-83.2	-18.1	-179.5	-65.8	172.1	-16.7	0	0	113.2	G408 S409 L410 E483 L484 L485	G408-Q487 CarbonylContact C-O 3.6Å; G408-Q487 WeakPolarHBondContact CA-O 3.41Å; S409-Q487 PolarHBondContact N-O 3.31Å; L410-Q487 WeakPolarHBondContact CB-O 3.42Å; L410-Q487 PolarHBondContact N-O 3.46Å; L410-Q487 VanDerWaalsContact N-O 3.09Å; E483-Q487 PolarHBondContact OE2-OE1 3.07Å; E483-Q487 VanDerWaalsContact OE2-OE1 3.12Å; L484-Q487 HydrophobicContact CB-CG 4.11Å; L484-Q487 WeakPolarHBondContact O-CB 3.47Å; L484-Q487 PolarHBondContact O-N 3.1Å; L485-Q487 PolarHBondContact O-N 3.24Å
488	Y	90.1	Very high	91.2	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-71.9	140.9	178.1	-74.6	-93.3	0	0	0	111.5	G408 L410 P412 M415 L480 E483 L484 L485 H490 Y492	G408-Y488 WeakPolarHBondContact CA-O 3.21Å; L410-Y488 HydrophobicContact CD2-CD1 3.51Å; L410-Y488 HydrophobicContact CD2-CD2 4.25Å; L410-Y488 HydrophobicContact CD2-CE1 3.21Å; L410-Y488 HydrophobicContact CD2-CE2 4Å; L410-Y488 HydrophobicContact CD2-CG 4.03Å; L410-Y488 VanDerWaalsContact CD2-CZ 3.47Å; L410-Y488 WeakPolarHBondContact O-CA 3.35Å; P412-Y488 HydrophobicContact CG-CE1 4.03Å; M415-Y488 HydrophobicContact CE-CD1 4.45Å; M415-Y488 HydrophobicContact CE-CE1 3.98Å; L480-Y488 HydrophobicContact CB-CE2 3.91Å; L480-Y488 HydrophobicContact CD2-CE1 4.34Å; L480-Y488 HydrophobicContact CD2-CE2 4.29Å; L480-Y488 HydrophobicContact CG-CE2 4.43Å; L480-Y488 PolarHBondContact O-OH 3.13Å; E483-Y488 HydrophobicContact CB-CE2 3.81Å; L484-Y488 WeakPolarHBondContact O-CD2 3.33Å; L485-Y488 PolarHBondContact O-N 2.93Å; Y488-H490 PolarHBondContact O-N 3.37Å; Y488-Y492 AromaticContact CD1-CD1 3.95Å; Y488-Y492 HydrophobicContact CD1-CD1 3.95Å; Y488-Y492 AromaticContact CD1-CE1 3.9Å; Y488-Y492 HydrophobicContact CD1-CE1 3.9Å; Y488-Y492 HydrophobicContact CE1-CE1 4.13Å
489	D	90.3	Very high	91.1	Very high	47 Å²	47	42.7 Å²	42.7	25%	0.251	23%	0.232	S	C	.	.			trans	-59.2	134.7	167.1	170	68.2	0	0	0	110	G408 L410 H491 Y492 L493	G408-D489 VanDerWaalsContact O-CA 3.24Å; G408-D489 WeakPolarHBondContact O-CA 3.46Å; G408-D489 WeakPolarHBondContact O-CB 3.4Å; L410-D489 PolarHBondContact O-N 3.26Å; D489-H491 PolarHBondContact O-N 2.87Å; D489-H491 WeakPolarHBondContact OD2-CB 3.49Å; D489-H491 PolarHBondContact OD2-N 2.85Å; D489-H491 VanDerWaalsContact OD2-N 3.14Å; D489-Y492 PolarHBondContact O-N 2.99Å; D489-Y492 PolarHBondContact OD2-N 3.4Å; D489-L493 WeakPolarHBondContact O-CB 3.39Å; D489-L493 PolarHBondContact O-N 3.24Å
490	H	88	Confident	91.1	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.292	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-43.1	-173.8	176.4	83.3	0	0	0	111.9	L406 Y488 L493 H494	L406-H490 HydrophobicContact CB-CB 4.49Å; L406-H490 HydrophobicContact CD2-CB 3.53Å; L406-H490 WeakPolarHBondContact CD2-CD2 3.25Å; Y488-H490 PolarHBondContact O-N 3.37Å; H490-L493 PolarHBondContact O-N 3.39Å; H490-H494 AromaticContact CD2-CD2 3.93Å; H490-H494 AromaticContact CE1-CD2 3.12Å; H490-H494 PolarHBondContact CE1-CD2 2.86Å; H490-H494 AromaticContact CE1-NE2 3.06Å; H490-H494 PolarHBondContact CE1-NE2 2.89Å; H490-H494 AromaticContact CG-CD2 3.84Å; H490-H494 AromaticContact ND1-CD2 3.33Å; H490-H494 PolarHBondContact ND1-CD2 3.33Å; H490-H494 VanDerWaalsContact ND1-CD2 3.33Å; H490-H494 AromaticContact ND1-NE2 3.38Å; H490-H494 PolarHBondContact ND1-NE2 2.8Å; H490-H494 AromaticContact NE2-CD2 3.51Å; H490-H494 AromaticContact NE2-NE2 3.86Å; H490-H494 PolarHBondContact O-CD2 3.37Å; H490-H494 VanDerWaalsContact O-CD2 3.22Å; H490-H494 PolarHBondContact O-N 3.15Å; H490-H494 VanDerWaalsContact O-N 3.08Å
491	H	88.4	Confident	90.9	Very high	144 Å²	144	43.5 Å²	43.5	67%	0.667	25%	0.245	S	C	*	.	H	α-helix	trans	-65.5	-42.9	178.8	-74.5	-67.5	0	0	0	111.3	D489 T495	D489-H491 PolarHBondContact O-N 2.87Å; D489-H491 WeakPolarHBondContact OD2-CB 3.49Å; D489-H491 PolarHBondContact OD2-N 2.85Å; D489-H491 VanDerWaalsContact OD2-N 3.14Å; H491-T495 PolarHBondContact O-N 3.27Å; H491-T495 VanDerWaalsContact O-N 3.12Å; H491-T495 PolarHBondContact O-OG1 3.44Å
492	Y	90.4	Very high	90.6	Very high	33 Å²	33	45.7 Å²	45.7	13%	0.129	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-49.4	174.9	177.2	-94.8	0	0	0	111.7	A411 P412 M415 Y488 D489 H494 T495 Q496	A411-Y492 HydrophobicContact CB-CD1 4.41Å; A411-Y492 HydrophobicContact CB-CD2 3.86Å; A411-Y492 HydrophobicContact CB-CE2 4.46Å; A411-Y492 HydrophobicContact CB-CG 3.84Å; P412-Y492 HydrophobicContact CG-CE1 4.02Å; P412-Y492 WeakPolarHBondContact CG-OH 3.49Å; P412-Y492 VanDerWaalsContact O-CE2 3.23Å; P412-Y492 WeakPolarHBondContact O-CE2 3.48Å; P412-Y492 PolarHBondContact O-OH 2.97Å; M415-Y492 HydrophobicContact CE-CD1 4.45Å; M415-Y492 HydrophobicContact CE-CE1 3.46Å; M415-Y492 VanDerWaalsContact CE-CE1 3.46Å; Y488-Y492 AromaticContact CD1-CD1 3.95Å; Y488-Y492 HydrophobicContact CD1-CD1 3.95Å; Y488-Y492 AromaticContact CD1-CE1 3.9Å; Y488-Y492 HydrophobicContact CD1-CE1 3.9Å; Y488-Y492 HydrophobicContact CE1-CE1 4.13Å; D489-Y492 PolarHBondContact O-N 2.99Å; D489-Y492 PolarHBondContact OD2-N 3.4Å; Y492-H494 PolarHBondContact O-N 3.04Å; Y492-T495 WeakPolarHBondContact O-CB 3.18Å; Y492-T495 PolarHBondContact O-N 3.09Å; Y492-T495 VanDerWaalsContact O-N 3.09Å; Y492-Q496 HydrophobicContact CD1-CG 4.41Å; Y492-Q496 HydrophobicContact CE1-CG 3.91Å; Y492-Q496 HydrophobicContact CE2-CG 4.09Å; Y492-Q496 WeakPolarHBondContact O-CG 3.49Å; Y492-Q496 PolarHBondContact O-N 3.13Å; Y492-Q496 VanDerWaalsContact O-N 3.11Å
493	L	91.6	Very high	90.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-48	179.9	-177.2	67.9	0	0	0	111.6	N469 L480 L485 D489 H490 T495 Q496 V497	N469-L493 HydrophobicContact CB-CD2 3.56Å; L480-L493 HydrophobicContact CD2-CD1 3.79Å; L485-L493 HydrophobicContact CD2-CD1 3.8Å; L485-L493 HydrophobicContact CD2-CD2 4.25Å; D489-L493 WeakPolarHBondContact O-CB 3.39Å; D489-L493 PolarHBondContact O-N 3.24Å; H490-L493 PolarHBondContact O-N 3.39Å; L493-T495 PolarHBondContact O-N 3.42Å; L493-Q496 PolarHBondContact O-N 2.92Å; L493-Q496 VanDerWaalsContact O-N 3.09Å; L493-V497 HydrophobicContact CD1-CG2 3.73Å; L493-V497 HydrophobicContact CG-CG2 4.25Å; L493-V497 WeakPolarHBondContact O-CB 3.19Å; L493-V497 WeakPolarHBondContact O-CG2 3.13Å; L493-V497 PolarHBondContact O-N 3.37Å
494	H	90.9	Very high	89.9	Confident	35 Å²	35	48 Å²	48	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-76.8	-5.6	-179.7	-73.4	-71.5	0	0	0	114.9	Q468 H490 Y492 R575	Q468-H494 PolarHBondContact O-CE1 3.27Å; Q468-H494 PolarHBondContact O-NE2 3.44Å; H490-H494 AromaticContact CD2-CD2 3.93Å; H490-H494 AromaticContact CE1-CD2 3.12Å; H490-H494 PolarHBondContact CE1-CD2 2.86Å; H490-H494 AromaticContact CE1-NE2 3.06Å; H490-H494 PolarHBondContact CE1-NE2 2.89Å; H490-H494 AromaticContact CG-CD2 3.84Å; H490-H494 AromaticContact ND1-CD2 3.33Å; H490-H494 PolarHBondContact ND1-CD2 3.33Å; H490-H494 VanDerWaalsContact ND1-CD2 3.33Å; H490-H494 AromaticContact ND1-NE2 3.38Å; H490-H494 PolarHBondContact ND1-NE2 2.8Å; H490-H494 AromaticContact NE2-CD2 3.51Å; H490-H494 AromaticContact NE2-NE2 3.86Å; H490-H494 PolarHBondContact O-CD2 3.37Å; H490-H494 VanDerWaalsContact O-CD2 3.22Å; H490-H494 PolarHBondContact O-N 3.15Å; H490-H494 VanDerWaalsContact O-N 3.08Å; Y492-H494 PolarHBondContact O-N 3.04Å; H494-R575 PolarHBondContact O-NH1 3.44Å; H494-R575 VanDerWaalsContact O-NH1 3.17Å
495	T	89.5	Confident	89.6	Confident	71 Å²	71	51.1 Å²	51.1	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-82.9	-37.7	165	-55.1	0	0	0	0	110.5	H491 Y492 L493	H491-T495 PolarHBondContact O-N 3.27Å; H491-T495 VanDerWaalsContact O-N 3.12Å; H491-T495 PolarHBondContact O-OG1 3.44Å; Y492-T495 WeakPolarHBondContact O-CB 3.18Å; Y492-T495 PolarHBondContact O-N 3.09Å; Y492-T495 VanDerWaalsContact O-N 3.09Å; L493-T495 PolarHBondContact O-N 3.42Å
496	Q	91.8	Very high	89.7	Confident	37 Å²	37	50.9 Å²	50.9	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-87.2	-26	-178.3	-58	-57.8	-37.1	0	0	113.9	M415 Y492 L493 P577 R578 L579	M415-Q496 HydrophobicContact CE-CB 3.71Å; M415-Q496 HydrophobicContact CE-CG 3.7Å; M415-Q496 HydrophobicContact SD-CB 3.51Å; M415-Q496 VanDerWaalsContact SD-CB 3.51Å; M415-Q496 HydrophobicContact SD-CG 3.91Å; Y492-Q496 HydrophobicContact CD1-CG 4.41Å; Y492-Q496 HydrophobicContact CE1-CG 3.91Å; Y492-Q496 HydrophobicContact CE2-CG 4.09Å; Y492-Q496 WeakPolarHBondContact O-CG 3.49Å; Y492-Q496 PolarHBondContact O-N 3.13Å; Y492-Q496 VanDerWaalsContact O-N 3.11Å; L493-Q496 PolarHBondContact O-N 2.92Å; L493-Q496 VanDerWaalsContact O-N 3.09Å; Q496-P577 CarbonylContact O-C 3.47Å; Q496-P577 WeakPolarHBondContact O-CA 3.43Å; Q496-P577 VanDerWaalsContact O-CB 3.29Å; Q496-P577 WeakPolarHBondContact O-CB 3.44Å; Q496-R578 PolarHBondContact O-N 3.37Å; Q496-L579 PolarHBondContact O-N 3.45Å
497	V	93.3	Very high	89.8	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.6	179.1	-175	0	0	0	0	108.9	Q468 L493 L579 I581	Q468-V497 HydrophobicContact CG-CG1 4.42Å; L493-V497 HydrophobicContact CD1-CG2 3.73Å; L493-V497 HydrophobicContact CG-CG2 4.25Å; L493-V497 WeakPolarHBondContact O-CB 3.19Å; L493-V497 WeakPolarHBondContact O-CG2 3.13Å; L493-V497 PolarHBondContact O-N 3.37Å; V497-L579 WeakPolarHBondContact CA-O 3.31Å; V497-L579 HydrophobicContact CG1-CB 4.45Å; V497-L579 HydrophobicContact CG1-CD2 3.98Å; V497-L579 HydrophobicContact CG1-CG 4.26Å; V497-L579 HydrophobicContact CG2-CB 4.17Å; V497-L579 HydrophobicContact CG2-CD2 4.03Å; V497-I581 HydrophobicContact CG1-CD1 3.95Å
498	A	93.9	Very high	89.8	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.4	171.3	0	0	0	0	0	110.3	A572 P577 L579 L580 I581	A498-A572 HydrophobicContact CB-CB 3.91Å; A498-P577 HydrophobicContact CB-CB 3.74Å; A498-P577 HydrophobicContact CB-CG 3.68Å; A498-L579 PolarHBondContact N-O 3.01Å; A498-L580 HydrophobicContact CB-CD1 4.28Å; A498-L580 WeakPolarHBondContact O-CA 3.33Å; A498-I581 PolarHBondContact O-N 2.8Å
499	A	93.4	Very high	89.9	Confident	36 Å²	36	55.2 Å²	55.2	30%	0.298	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142	177.1	0	0	0	0	0	110.9	Q468 I581	Q468-A499 HydrophobicContact CG-CB 3.97Å; Q468-A499 VanDerWaalsContact OE1-CB 3.31Å; A499-I581 CarbonylContact C-O 3.4Å; A499-I581 VanDerWaalsContact CA-O 3.27Å; A499-I581 WeakPolarHBondContact CA-O 3.32Å; A499-I581 HydrophobicContact CB-CB 3.97Å; A499-I581 HydrophobicContact CB-CD1 4.43Å
500	V	93.8	Very high	90	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.9	168.2	-171.1	0	0	0	0	107	A568 L569 A572 I581 L582 D583 A585	V500-A568 HydrophobicContact CG1-CB 3.91Å; V500-L569 HydrophobicContact CG2-CD1 4.14Å; V500-A572 HydrophobicContact CG2-CB 3.65Å; V500-I581 PolarHBondContact N-O 2.98Å; V500-L582 HydrophobicContact CB-CD2 4Å; V500-L582 HydrophobicContact CG2-CD2 3.83Å; V500-D583 PolarHBondContact O-N 3.45Å; V500-A585 HydrophobicContact CB-CB 3.69Å; V500-A585 HydrophobicContact CG1-CB 3.47Å; V500-A585 VanDerWaalsContact CG1-CB 3.47Å
501	G	89.8	Confident	90.3	Very high	35 Å²	35	50.6 Å²	50.6	36%	0.361	27%	0.271	S	S	.	.			trans	-78.5	166.6	178.7	0	0	0	0	0	112.6	E503 P504 D583	G501-E503 PolarHBondContact O-N 3.44Å; G501-P504 WeakPolarHBondContact O-CD 3.13Å; G501-D583 CarbonylContact C-O 3.45Å; G501-D583 VanDerWaalsContact C-O 3.32Å
502	Q	86.4	Confident	90.6	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-58.1	-46.5	180	-177.6	175.5	7.4	0	0	112.3	P504 Q565 D583 D584	Q502-P504 VanDerWaalsContact O-CD 3.31Å; Q502-P504 WeakPolarHBondContact O-CD 3.2Å; Q502-Q565 PolarHBondContact O-NE2 3.2Å; Q502-D583 WeakPolarHBondContact CA-O 3.33Å; Q502-D583 PolarHBondContact N-O 2.95Å; Q502-D584 HydrophobicContact CB-CB 4.46Å; Q502-D584 HydrophobicContact CG-CB 4.16Å
503	E	83.9	Confident	90.8	Very high	170 Å²	170	51 Å²	51	79%	0.794	27%	0.271	S	S	*	.	S	Bend	trans	-114.6	85.5	174.8	-66.3	-172.9	167.2	0	0	109.9	G501 L505	G501-E503 PolarHBondContact O-N 3.44Å; E503-L505 PolarHBondContact O-N 2.93Å
504	P	85	Confident	90.9	Very high	16 Å²	16	51 Å²	51	10%	0.104	27%	0.271	C	S	.	.			trans	-72.6	129.7	-176.8	25.5	-29.2	0	0	0	111.3	G501 Q502 R564 Q565 A568	G501-P504 WeakPolarHBondContact O-CD 3.13Å; Q502-P504 VanDerWaalsContact O-CD 3.31Å; Q502-P504 WeakPolarHBondContact O-CD 3.2Å; P504-R564 HydrophobicContact CG-CB 4.32Å; P504-Q565 HydrophobicContact CG-CB 4.49Å; P504-Q565 HydrophobicContact CG-CG 3.93Å; P504-A568 HydrophobicContact CB-CB 3.33Å; P504-A568 HydrophobicContact CG-CB 3.77Å
505	L	86.1	Confident	91.2	Very high	120 Å²	120	49.3 Å²	49.3	63%	0.628	26%	0.263	S	S	*	.			trans	-86.3	132.1	174.2	-62.8	172.1	0	0	0	110.6	E503 T555 R571	E503-L505 PolarHBondContact O-N 2.93Å; L505-T555 HydrophobicContact CD2-CG2 4.47Å; L505-R571 PolarHBondContact O-NH1 3.41Å
506	L	89.9	Confident	91.4	Very high	6 Å²	6	47 Å²	47	3%	0.031	25%	0.251	C	S	.	.			trans	-104.2	148.4	170.9	-57.2	-176.8	0	0	0	109.9	V552 T555 L559 R564 V567	L506-V552 HydrophobicContact CB-CG1 4.13Å; L506-V552 HydrophobicContact CD1-CG1 3.67Å; L506-T555 WeakPolarHBondContact O-CA 3.47Å; L506-L559 HydrophobicContact CD1-CD1 3.59Å; L506-R564 HydrophobicContact CD1-CB 4.37Å; L506-R564 HydrophobicContact CD1-CG 4.03Å; L506-R564 HydrophobicContact CG-CG 4.5Å; L506-V567 HydrophobicContact CD1-CB 4.19Å; L506-V567 HydrophobicContact CD1-CG1 4.1Å; L506-V567 HydrophobicContact CD2-CB 4.2Å; L506-V567 HydrophobicContact CD2-CG1 3.74Å
507	F	89.6	Confident	91.5	Very high	80 Å²	80	49.2 Å²	49.2	35%	0.351	26%	0.258	S	S	.	.			trans	-84.4	149.7	175.6	-63.9	-80.6	0	0	0	109.3	R509 N514 Y517	F507-R509 HydrophobicContact CB-CB 4.45Å; F507-R509 HydrophobicContact CB-CG 4.06Å; F507-R509 PolarHBondContact O-N 3.5Å; F507-N514 PolarHBondContact N-OD1 3.24Å; F507-N514 PolarHBondContact O-ND2 2.67Å; F507-N514 PolarHBondContact O-OD1 2.83Å; F507-Y517 HydrophobicContact CD2-CD1 4.48Å; F507-Y517 AromaticContact CD2-CD2 3.86Å; F507-Y517 HydrophobicContact CD2-CD2 3.86Å; F507-Y517 AromaticContact CD2-CE2 3.89Å; F507-Y517 HydrophobicContact CD2-CE2 3.89Å; F507-Y517 HydrophobicContact CD2-CG 4.16Å; F507-Y517 HydrophobicContact CE1-CE2 4.45Å; F507-Y517 AromaticContact CE2-CD1 3.77Å; F507-Y517 HydrophobicContact CE2-CD1 3.77Å; F507-Y517 AromaticContact CE2-CD2 3.76Å; F507-Y517 HydrophobicContact CE2-CD2 3.76Å; F507-Y517 AromaticContact CE2-CE1 3.51Å; F507-Y517 HydrophobicContact CE2-CE1 3.51Å; F507-Y517 AromaticContact CE2-CE2 3.49Å; F507-Y517 HydrophobicContact CE2-CE2 3.49Å; F507-Y517 VanDerWaalsContact CE2-CE2 3.49Å; F507-Y517 AromaticContact CE2-CG 3.89Å; F507-Y517 HydrophobicContact CE2-CG 3.89Å; F507-Y517 AromaticContact CE2-CZ 3.35Å; F507-Y517 AromaticContact CZ-CE1 3.86Å; F507-Y517 HydrophobicContact CZ-CE1 3.86Å; F507-Y517 AromaticContact CZ-CE2 3.81Å; F507-Y517 HydrophobicContact CZ-CE2 3.81Å; F507-Y517 AromaticContact CZ-CZ 3.42Å; F507-Y517 VanDerWaalsContact CZ-CZ 3.42Å; F507-Y517 WeakPolarHBondContact CZ-OH 3.49Å
508	G	89.9	Confident	91.1	Very high	53 Å²	53	51.8 Å²	51.8	55%	0.546	29%	0.285	S	S	.	.	S	Bend	trans	-68.3	71.9	171.1	0	0	0	0	0	111.1	G553	G508-G553 WeakPolarHBondContact CA-O 3.38Å
509	R	91.8	Very high	90.8	Very high	108 Å²	108	53.7 Å²	53.7	41%	0.408	29%	0.294	S	S	.	.	S	Bend	trans	-145.8	171.5	-174.3	-68.8	-173.4	-172.3	-174.2	-0.4	108.5	F507 E513 N514 V552	F507-R509 HydrophobicContact CB-CB 4.45Å; F507-R509 HydrophobicContact CB-CG 4.06Å; F507-R509 PolarHBondContact O-N 3.5Å; R509-E513 HydrophobicContact CB-CB 3.92Å; R509-E513 WeakPolarHBondContact CB-OE2 3.29Å; R509-E513 WeakPolarHBondContact CD-OE2 3.26Å; R509-E513 WeakPolarHBondContact CG-OE2 3.4Å; R509-N514 PolarHBondContact O-ND2 3.17Å; R509-N514 VanDerWaalsContact O-ND2 3.08Å; R509-V552 WeakPolarHBondContact O-CG2 3.47Å; R509-V552 PolarHBondContact O-N 2.87Å
510	S	93.4	Very high	90.4	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.091	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-63	161.2	173.8	67.2	0	0	0	0	112.5	R512 E513 N514 T550	S510-R512 VanDerWaalsContact C-N 3.27Å; S510-R512 PolarHBondContact O-N 3.27Å; S510-E513 PolarHBondContact O-N 2.74Å; S510-E513 WeakPolarHBondContact OG-CB 3.39Å; S510-E513 WeakPolarHBondContact OG-CG 3.42Å; S510-E513 PolarHBondContact OG-N 3.46Å; S510-N514 WeakPolarHBondContact O-CB 3.16Å; S510-N514 PolarHBondContact O-N 2.87Å; S510-N514 PolarHBondContact O-ND2 3.42Å; S510-T550 VanDerWaalsContact CA-O 3.26Å; S510-T550 WeakPolarHBondContact CA-O 3.43Å
511	F	94.6	Very high	90.1	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-57.2	-42.9	172.1	-73.1	-70.9	0	0	0	111.7	E513 N514 I515 F540 I541 F544 Y548 T550 V552 L559 V567	F511-E513 PolarHBondContact O-N 2.96Å; F511-N514 PolarHBondContact O-N 2.91Å; F511-I515 WeakPolarHBondContact O-CG1 3.48Å; F511-I515 PolarHBondContact O-N 3.46Å; F511-F540 AromaticContact CE1-CE2 3.85Å; F511-F540 HydrophobicContact CE1-CE2 3.85Å; F511-F540 AromaticContact CZ-CE2 3.99Å; F511-F540 HydrophobicContact CZ-CE2 3.99Å; F511-I541 HydrophobicContact CB-CD1 4.24Å; F511-I541 HydrophobicContact CB-CG2 4.35Å; F511-I541 HydrophobicContact CD1-CD1 4.03Å; F511-I541 HydrophobicContact CD1-CG1 3.93Å; F511-I541 HydrophobicContact CD2-CG1 4.22Å; F511-I541 HydrophobicContact CD2-CG2 4.05Å; F511-I541 HydrophobicContact CE1-CG1 4.08Å; F511-I541 HydrophobicContact CE2-CG1 4.37Å; F511-I541 HydrophobicContact CG-CD1 4.15Å; F511-I541 HydrophobicContact CG-CG1 3.99Å; F511-I541 HydrophobicContact CG-CG2 4.26Å; F511-I541 HydrophobicContact CZ-CG1 4.29Å; F511-F544 AromaticContact CE2-CD2 3.87Å; F511-F544 HydrophobicContact CE2-CD2 3.87Å; F511-F544 HydrophobicContact CE2-CE2 4.04Å; F511-F544 HydrophobicContact CE2-CG 4.27Å; F511-F544 HydrophobicContact CZ-CD2 4.15Å; F511-F544 AromaticContact CZ-CE2 3.85Å; F511-F544 HydrophobicContact CZ-CE2 3.85Å; F511-F544 HydrophobicContact CZ-CZ 4.3Å; F511-Y548 WeakPolarHBondContact CB-O 3.4Å; F511-Y548 PolarHBondContact N-O 2.65Å; F511-T550 WeakPolarHBondContact CD2-O 3.43Å; F511-T550 HydrophobicContact CE2-CG2 4.26Å; F511-T550 PolarHBondContact N-O 3.23Å; F511-T550 VanDerWaalsContact N-O 3.14Å; F511-V552 HydrophobicContact CD1-CG2 3.56Å; F511-V552 HydrophobicContact CD2-CG2 4.25Å; F511-V552 HydrophobicContact CE1-CG2 3.64Å; F511-V552 HydrophobicContact CE2-CG2 4.31Å; F511-V552 HydrophobicContact CG-CG2 3.9Å; F511-V552 HydrophobicContact CZ-CG2 4.03Å; F511-L559 HydrophobicContact CE1-CD1 3.74Å; F511-L559 HydrophobicContact CE1-CD2 4.17Å; F511-L559 HydrophobicContact CZ-CD1 4.25Å; F511-L559 HydrophobicContact CZ-CD2 3.85Å; F511-V567 HydrophobicContact CD1-CG2 3.9Å; F511-V567 HydrophobicContact CE1-CG2 4Å
512	R	94.8	Very high	90.1	Very high	83 Å²	83	69.5 Å²	69.5	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-53.1	-51.6	175.9	-174.3	-164.2	-62.9	-113.8	0	111.5	S510 N514 I515 A516 M525 I528 Y548 D549	S510-R512 VanDerWaalsContact C-N 3.27Å; S510-R512 PolarHBondContact O-N 3.27Å; R512-N514 VanDerWaalsContact C-N 3.35Å; R512-I515 PolarHBondContact O-N 3.47Å; R512-A516 WeakPolarHBondContact O-CB 3.32Å; R512-A516 PolarHBondContact O-N 2.88Å; R512-M525 HydrophobicContact CG-SD 4.07Å; R512-M525 PolarHBondContact NH1-SD 2.72Å; R512-I528 HydrophobicContact CG-CD1 3.52Å; R512-Y548 PolarHBondContact N-O 2.94Å; R512-D549 IonicContact CZ-OD1 3.77Å; R512-D549 VanDerWaalsContact CZ-OD1 3.28Å; R512-D549 IonicContact NE-OD1 2.71Å; R512-D549 PolarHBondContact NE-OD1 3.21Å; R512-D549 IonicContact NH2-OD1 3.4Å; R512-D549 PolarHBondContact NH2-OD1 2.89Å; R512-D549 IonicContact NH2-OD2 3.46Å; R512-D549 PolarHBondContact NH2-OD2 3.49Å
513	E	93.9	Very high	90.4	Very high	102 Å²	102	66 Å²	66	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-33.1	-179.2	-73.5	178.3	-171.6	0	0	112.8	R509 S510 F511 Y517	R509-E513 HydrophobicContact CB-CB 3.92Å; R509-E513 WeakPolarHBondContact CB-OE2 3.29Å; R509-E513 WeakPolarHBondContact CD-OE2 3.26Å; R509-E513 WeakPolarHBondContact CG-OE2 3.4Å; S510-E513 PolarHBondContact O-N 2.74Å; S510-E513 WeakPolarHBondContact OG-CB 3.39Å; S510-E513 WeakPolarHBondContact OG-CG 3.42Å; S510-E513 PolarHBondContact OG-N 3.46Å; F511-E513 PolarHBondContact O-N 2.96Å; E513-Y517 PolarHBondContact O-N 2.96Å; E513-Y517 VanDerWaalsContact O-N 3.16Å
514	N	94.3	Very high	90.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-41.2	174.3	-90.2	-76.1	0	0	0	111.8	F507 R509 S510 F511 R512 Y517 V567 R571	F507-N514 PolarHBondContact N-OD1 3.24Å; F507-N514 PolarHBondContact O-ND2 2.67Å; F507-N514 PolarHBondContact O-OD1 2.83Å; R509-N514 PolarHBondContact O-ND2 3.17Å; R509-N514 VanDerWaalsContact O-ND2 3.08Å; S510-N514 WeakPolarHBondContact O-CB 3.16Å; S510-N514 PolarHBondContact O-N 2.87Å; S510-N514 PolarHBondContact O-ND2 3.42Å; F511-N514 PolarHBondContact O-N 2.91Å; R512-N514 VanDerWaalsContact C-N 3.35Å; N514-Y517 WeakPolarHBondContact O-CB 3.49Å; N514-V567 HydrophobicContact CB-CG1 4.19Å; N514-R571 PolarHBondContact O-NE 3.48Å; N514-R571 PolarHBondContact O-NH2 3.27Å; N514-R571 PolarHBondContact OD1-NH2 3.36Å
515	I	95.3	Very high	91.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-43.9	177.2	-65.8	168.4	0	0	0	110	F511 R512 Y517 I528 V531 A532 I541 Y548 V567 A570 I574	F511-I515 WeakPolarHBondContact O-CG1 3.48Å; F511-I515 PolarHBondContact O-N 3.46Å; R512-I515 PolarHBondContact O-N 3.47Å; I515-Y517 PolarHBondContact O-N 3.4Å; I515-I528 HydrophobicContact CB-CG2 4.39Å; I515-I528 HydrophobicContact CD1-CG2 3.92Å; I515-I528 HydrophobicContact CG2-CG2 4.2Å; I515-V531 HydrophobicContact CG2-CG2 3.93Å; I515-A532 HydrophobicContact CD1-CB 4.41Å; I515-I541 HydrophobicContact CD1-CD1 4.27Å; I515-Y548 HydrophobicContact CD1-CD1 4.41Å; I515-Y548 HydrophobicContact CD1-CE1 4.11Å; I515-V567 HydrophobicContact CG1-CG1 4.26Å; I515-A570 HydrophobicContact CD1-CB 4.22Å; I515-A570 HydrophobicContact CG1-CB 4.03Å; I515-A570 HydrophobicContact CG2-CB 4.19Å; I515-I574 HydrophobicContact CG2-CD1 3.88Å; I515-I574 WeakPolarHBondContact O-CG2 3.24Å
516	A	94.4	Very high	91.7	Very high	21 Å²	21	63.8 Å²	63.8	17%	0.174	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.8	-179.8	0	0	0	0	0	114.7	R512 G518 L519 P523	R512-A516 WeakPolarHBondContact O-CB 3.32Å; R512-A516 PolarHBondContact O-N 2.88Å; A516-G518 PolarHBondContact O-N 3.27Å; A516-L519 PolarHBondContact O-N 3.21Å; A516-P523 HydrophobicContact CB-CG 3.58Å
517	Y	93.1	Very high	91.9	Very high	85 Å²	85	66.2 Å²	66.2	33%	0.333	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	125.5	-171.5	-176.5	-96.1	0	0	0	113.1	F507 E513 N514 I515 R575	F507-Y517 HydrophobicContact CD2-CD1 4.48Å; F507-Y517 AromaticContact CD2-CD2 3.86Å; F507-Y517 HydrophobicContact CD2-CD2 3.86Å; F507-Y517 AromaticContact CD2-CE2 3.89Å; F507-Y517 HydrophobicContact CD2-CE2 3.89Å; F507-Y517 HydrophobicContact CD2-CG 4.16Å; F507-Y517 HydrophobicContact CE1-CE2 4.45Å; F507-Y517 AromaticContact CE2-CD1 3.77Å; F507-Y517 HydrophobicContact CE2-CD1 3.77Å; F507-Y517 AromaticContact CE2-CD2 3.76Å; F507-Y517 HydrophobicContact CE2-CD2 3.76Å; F507-Y517 AromaticContact CE2-CE1 3.51Å; F507-Y517 HydrophobicContact CE2-CE1 3.51Å; F507-Y517 AromaticContact CE2-CE2 3.49Å; F507-Y517 HydrophobicContact CE2-CE2 3.49Å; F507-Y517 VanDerWaalsContact CE2-CE2 3.49Å; F507-Y517 AromaticContact CE2-CG 3.89Å; F507-Y517 HydrophobicContact CE2-CG 3.89Å; F507-Y517 AromaticContact CE2-CZ 3.35Å; F507-Y517 AromaticContact CZ-CE1 3.86Å; F507-Y517 HydrophobicContact CZ-CE1 3.86Å; F507-Y517 AromaticContact CZ-CE2 3.81Å; F507-Y517 HydrophobicContact CZ-CE2 3.81Å; F507-Y517 AromaticContact CZ-CZ 3.42Å; F507-Y517 VanDerWaalsContact CZ-CZ 3.42Å; F507-Y517 WeakPolarHBondContact CZ-OH 3.49Å; E513-Y517 PolarHBondContact O-N 2.96Å; E513-Y517 VanDerWaalsContact O-N 3.16Å; N514-Y517 WeakPolarHBondContact O-CB 3.49Å; I515-Y517 PolarHBondContact O-N 3.4Å; Y517-R575 PolarHBondContact O-NH2 3.08Å
518	G	85.7	Confident	92.2	Very high	56 Å²	56	62.6 Å²	62.6	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	6.7	176.9	0	0	0	0	0	115.1	A516	A516-G518 PolarHBondContact O-N 3.27Å
519	L	88.5	Confident	92.4	Very high	44 Å²	44	61.5 Å²	61.5	23%	0.23	32%	0.322	C	S	.	.			trans	-82.2	135.6	169	-66.1	171.4	0	0	0	110.6	A516 R521 P523 I574 R575	A516-L519 PolarHBondContact O-N 3.21Å; L519-R521 VanDerWaalsContact C-N 3.34Å; L519-R521 WeakPolarHBondContact CB-O 3.48Å; L519-P523 HydrophobicContact CD1-CB 4.17Å; L519-P523 HydrophobicContact CD1-CG 3.81Å; L519-I574 HydrophobicContact CD1-CD1 3.96Å; L519-I574 HydrophobicContact CD1-CG1 4.03Å; L519-I574 HydrophobicContact CD1-CG2 4Å; L519-R575 HydrophobicContact CD2-CG 4.03Å
520	T	83.6	Confident	92.4	Very high	155 Å²	155	58.4 Å²	58.4	95%	0.951	32%	0.319	S	S	*	.	S	Bend	trans	-72.2	-30.6	174	-40.6	0	0	0	0	112
521	R	89	Confident	92.4	Very high	120 Å²	120	58.4 Å²	58.4	45%	0.453	32%	0.319	S	S	.	.	S	Bend	trans	-95.9	146.9	174.6	70.7	-176.9	-176.2	86.3	-5.5	110.1	L519 P523 E527	L519-R521 VanDerWaalsContact C-N 3.34Å; L519-R521 WeakPolarHBondContact CB-O 3.48Å; R521-P523 VanDerWaalsContact O-CD 3.29Å; R521-P523 WeakPolarHBondContact O-CD 3.34Å; R521-E527 IonicContact CZ-OE1 3.44Å; R521-E527 IonicContact CZ-OE2 3.46Å; R521-E527 IonicContact NH1-OE1 3.22Å; R521-E527 PolarHBondContact NH1-OE1 2.95Å; R521-E527 IonicContact NH1-OE2 2.7Å; R521-E527 PolarHBondContact NH1-OE2 3.38Å; R521-E527 IonicContact NH2-OE1 2.8Å; R521-E527 PolarHBondContact NH2-OE1 3.3Å; R521-E527 IonicContact NH2-OE2 3.29Å; R521-E527 PolarHBondContact NH2-OE2 3.01Å
522	T	89.5	Confident	92.4	Very high	133 Å²	133	58.4 Å²	58.4	82%	0.816	32%	0.319	S	S	*	.			trans	-74.7	115.5	167.7	48.9	0	0	0	0	109.2
523	P	92.1	Very high	92.2	Very high	21 Å²	21	58.6 Å²	58.6	14%	0.136	32%	0.324	C	S	.	.			trans	-70.3	152.4	177.3	29.3	-33.8	0	0	0	111.3	A516 L519 R521 E527 I528 I574	A516-P523 HydrophobicContact CB-CG 3.58Å; L519-P523 HydrophobicContact CD1-CB 4.17Å; L519-P523 HydrophobicContact CD1-CG 3.81Å; R521-P523 VanDerWaalsContact O-CD 3.29Å; R521-P523 WeakPolarHBondContact O-CD 3.34Å; P523-E527 VanDerWaalsContact CA-OE2 3.29Å; P523-E527 WeakPolarHBondContact CA-OE2 3.45Å; P523-E527 HydrophobicContact CB-CB 4.45Å; P523-E527 WeakPolarHBondContact CB-OE2 3.3Å; P523-I528 HydrophobicContact CB-CG1 4.18Å; P523-I528 HydrophobicContact CG-CD1 3.98Å; P523-I528 HydrophobicContact CG-CG1 3.94Å; P523-I574 HydrophobicContact CB-CD1 3.82Å; P523-I574 HydrophobicContact CG-CD1 3.88Å
524	T	94.8	Very high	91.9	Very high	70 Å²	70	56.9 Å²	56.9	43%	0.429	32%	0.316	S	S	.	.			trans	-76.9	160.7	175.5	78.1	0	0	0	0	110.5	E526 E527 I528	T524-E526 WeakPolarHBondContact CB-OE2 3.48Å; T524-E526 PolarHBondContact O-N 2.87Å; T524-E526 PolarHBondContact OG1-OE2 3.24Å; T524-E527 PolarHBondContact N-OE2 2.97Å; T524-E527 VanDerWaalsContact N-OE2 3.12Å; T524-E527 PolarHBondContact O-N 3.2Å; T524-E527 PolarHBondContact OG1-N 3.1Å; T524-I528 WeakPolarHBondContact O-CG1 3.42Å; T524-I528 PolarHBondContact O-N 3.38Å; T524-I528 VanDerWaalsContact O-N 3.1Å
525	M	93.6	Very high	91.7	Very high	50 Å²	50	56.9 Å²	56.9	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-29.3	179	-86	-51.3	-67.2	0	0	112.7	R512 E527 I528 T529 Y548	R512-M525 HydrophobicContact CG-SD 4.07Å; R512-M525 PolarHBondContact NH1-SD 2.72Å; M525-E527 VanDerWaalsContact C-N 3.33Å; M525-I528 HydrophobicContact CE-CG2 4.4Å; M525-I528 PolarHBondContact O-N 2.95Å; M525-I528 HydrophobicContact SD-CB 4.27Å; M525-I528 HydrophobicContact SD-CD1 3.82Å; M525-I528 HydrophobicContact SD-CG2 4.47Å; M525-T529 VanDerWaalsContact O-CB 3.25Å; M525-T529 WeakPolarHBondContact O-CB 3.42Å; M525-T529 PolarHBondContact O-N 3.4Å; M525-T529 PolarHBondContact O-OG1 3.33Å; M525-Y548 HydrophobicContact CE-CD1 4.12Å; M525-Y548 HydrophobicContact CE-CD2 3.77Å; M525-Y548 HydrophobicContact CE-CE2 4.34Å; M525-Y548 HydrophobicContact CE-CG 3.65Å
526	E	94.5	Very high	91.3	Very high	139 Å²	139	57 Å²	57	65%	0.65	32%	0.317	S	S	*	.	H	α-helix	trans	-62.8	-43.1	174.8	-57.8	74.8	-159.7	0	0	110.4	T524 T529 A530	T524-E526 WeakPolarHBondContact CB-OE2 3.48Å; T524-E526 PolarHBondContact O-N 2.87Å; T524-E526 PolarHBondContact OG1-OE2 3.24Å; E526-T529 PolarHBondContact O-N 2.9Å; E526-A530 VanDerWaalsContact O-CB 3.29Å; E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 2.85Å
527	E	93.6	Very high	91.2	Very high	57 Å²	57	56 Å²	56	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176.1	-67.2	-179.5	135.7	0	0	111.8	R521 P523 T524 M525 T529 A530 V531	R521-E527 IonicContact CZ-OE1 3.44Å; R521-E527 IonicContact CZ-OE2 3.46Å; R521-E527 IonicContact NH1-OE1 3.22Å; R521-E527 PolarHBondContact NH1-OE1 2.95Å; R521-E527 IonicContact NH1-OE2 2.7Å; R521-E527 PolarHBondContact NH1-OE2 3.38Å; R521-E527 IonicContact NH2-OE1 2.8Å; R521-E527 PolarHBondContact NH2-OE1 3.3Å; R521-E527 IonicContact NH2-OE2 3.29Å; R521-E527 PolarHBondContact NH2-OE2 3.01Å; P523-E527 VanDerWaalsContact CA-OE2 3.29Å; P523-E527 WeakPolarHBondContact CA-OE2 3.45Å; P523-E527 HydrophobicContact CB-CB 4.45Å; P523-E527 WeakPolarHBondContact CB-OE2 3.3Å; T524-E527 PolarHBondContact N-OE2 2.97Å; T524-E527 VanDerWaalsContact N-OE2 3.12Å; T524-E527 PolarHBondContact O-N 3.2Å; T524-E527 PolarHBondContact OG1-N 3.1Å; M525-E527 VanDerWaalsContact C-N 3.33Å; E527-T529 VanDerWaalsContact C-N 3.31Å; E527-T529 PolarHBondContact O-N 3.37Å; E527-A530 PolarHBondContact O-N 3.32Å; E527-V531 WeakPolarHBondContact O-CG2 3.46Å; E527-V531 PolarHBondContact O-N 3.46Å; E527-V531 VanDerWaalsContact O-N 3.12Å
528	I	95.3	Very high	91.3	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178.1	-65.5	177.3	0	0	0	110.7	R512 I515 P523 T524 M525 V531 A532 Y548 I574	R512-I528 HydrophobicContact CG-CD1 3.52Å; I515-I528 HydrophobicContact CB-CG2 4.39Å; I515-I528 HydrophobicContact CD1-CG2 3.92Å; I515-I528 HydrophobicContact CG2-CG2 4.2Å; P523-I528 HydrophobicContact CB-CG1 4.18Å; P523-I528 HydrophobicContact CG-CD1 3.98Å; P523-I528 HydrophobicContact CG-CG1 3.94Å; T524-I528 WeakPolarHBondContact O-CG1 3.42Å; T524-I528 PolarHBondContact O-N 3.38Å; T524-I528 VanDerWaalsContact O-N 3.1Å; M525-I528 HydrophobicContact CE-CG2 4.4Å; M525-I528 PolarHBondContact O-N 2.95Å; M525-I528 HydrophobicContact SD-CB 4.27Å; M525-I528 HydrophobicContact SD-CD1 3.82Å; M525-I528 HydrophobicContact SD-CG2 4.47Å; I528-V531 VanDerWaalsContact O-CG2 3.27Å; I528-V531 WeakPolarHBondContact O-CG2 3.47Å; I528-A532 VanDerWaalsContact O-CB 3.24Å; I528-A532 WeakPolarHBondContact O-CB 3.44Å; I528-A532 PolarHBondContact O-N 3.05Å; I528-Y548 HydrophobicContact CG2-CD1 3.82Å; I528-Y548 HydrophobicContact CG2-CE1 3.72Å; I528-I574 HydrophobicContact CG1-CD1 3.99Å
529	T	94.9	Very high	91.5	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-41.8	-178.5	-52.3	0	0	0	0	110.8	M525 E526 E527 A532 M533	M525-T529 VanDerWaalsContact O-CB 3.25Å; M525-T529 WeakPolarHBondContact O-CB 3.42Å; M525-T529 PolarHBondContact O-N 3.4Å; M525-T529 PolarHBondContact O-OG1 3.33Å; E526-T529 PolarHBondContact O-N 2.9Å; E527-T529 VanDerWaalsContact C-N 3.31Å; E527-T529 PolarHBondContact O-N 3.37Å; T529-A532 PolarHBondContact O-N 2.86Å; T529-M533 HydrophobicContact CG2-CE 3.62Å; T529-M533 WeakPolarHBondContact O-CG 3.28Å; T529-M533 PolarHBondContact O-N 3.44Å
530	A	92.6	Very high	91.6	Very high	43 Å²	43	55.1 Å²	55.1	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-51.2	176.6	0	0	0	0	0	111.8	E526 E527 A532 M533 E534	E526-A530 VanDerWaalsContact O-CB 3.29Å; E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 2.85Å; E527-A530 PolarHBondContact O-N 3.32Å; A530-A532 VanDerWaalsContact C-N 3.29Å; A530-A532 PolarHBondContact O-N 2.97Å; A530-M533 WeakPolarHBondContact O-CB 3.16Å; A530-M533 PolarHBondContact O-N 3.45Å; A530-M533 VanDerWaalsContact O-N 3.15Å; A530-E534 WeakPolarHBondContact O-CG 3.4Å; A530-E534 PolarHBondContact O-N 2.72Å
531	V	92.8	Very high	92.1	Very high	13 Å²	13	47.8 Å²	47.8	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-29.8	179.4	-59.9	0	0	0	0	113.1	I515 E527 I528 E534 S535 A570 L573 I574	I515-V531 HydrophobicContact CG2-CG2 3.93Å; E527-V531 WeakPolarHBondContact O-CG2 3.46Å; E527-V531 PolarHBondContact O-N 3.46Å; E527-V531 VanDerWaalsContact O-N 3.12Å; I528-V531 VanDerWaalsContact O-CG2 3.27Å; I528-V531 WeakPolarHBondContact O-CG2 3.47Å; V531-E534 PolarHBondContact O-N 3.29Å; V531-S535 WeakPolarHBondContact O-CB 3.12Å; V531-S535 PolarHBondContact O-N 2.95Å; V531-S535 PolarHBondContact O-OG 3.49Å; V531-A570 HydrophobicContact CG2-CB 4.27Å; V531-L573 HydrophobicContact CB-CB 4.35Å; V531-L573 HydrophobicContact CG1-CB 4.39Å; V531-I574 HydrophobicContact CG1-CB 4.17Å; V531-I574 HydrophobicContact CG1-CG1 4.39Å; V531-I574 HydrophobicContact CG2-CB 4.1Å; V531-I574 HydrophobicContact CG2-CD1 4.27Å; V531-I574 HydrophobicContact CG2-CG1 4.33Å
532	A	93.9	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-32.8	174	0	0	0	0	0	111.9	I515 I528 T529 A530 S535 G536 A537 H538 Y548	I515-A532 HydrophobicContact CD1-CB 4.41Å; I528-A532 VanDerWaalsContact O-CB 3.24Å; I528-A532 WeakPolarHBondContact O-CB 3.44Å; I528-A532 PolarHBondContact O-N 3.05Å; T529-A532 PolarHBondContact O-N 2.86Å; A530-A532 VanDerWaalsContact C-N 3.29Å; A530-A532 PolarHBondContact O-N 2.97Å; A532-S535 PolarHBondContact O-OG 3.34Å; A532-G536 CarbonylContact O-C 3.52Å; A532-G536 PolarHBondContact O-N 2.93Å; A532-A537 HydrophobicContact CB-CB 4.29Å; A532-A537 PolarHBondContact O-N 2.89Å; A532-H538 HydrophobicContact CB-CB 4.17Å; A532-H538 PolarHBondContact O-N 2.94Å; A532-Y548 HydrophobicContact CB-CE1 4.02Å; A532-Y548 WeakPolarHBondContact CB-OH 3.15Å
533	M	91.3	Very high	92.3	Very high	87 Å²	87	41.8 Å²	41.8	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-69.5	-40.5	172.4	-71.9	174.8	-177.3	0	0	111.4	T529 A530 G536 H538	T529-M533 HydrophobicContact CG2-CE 3.62Å; T529-M533 WeakPolarHBondContact O-CG 3.28Å; T529-M533 PolarHBondContact O-N 3.44Å; A530-M533 WeakPolarHBondContact O-CB 3.16Å; A530-M533 PolarHBondContact O-N 3.45Å; A530-M533 VanDerWaalsContact O-N 3.15Å; M533-G536 PolarHBondContact O-N 3.42Å; M533-H538 HydrophobicContact CB-CB 4.4Å; M533-H538 HydrophobicContact CG-CB 3.7Å
534	E	88.1	Confident	92.3	Very high	67 Å²	67	43.5 Å²	43.5	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-39.8	176.5	-72.4	177	-170.1	0	0	112.5	A530 V531 G536 L573 L600	A530-E534 WeakPolarHBondContact O-CG 3.4Å; A530-E534 PolarHBondContact O-N 2.72Å; V531-E534 PolarHBondContact O-N 3.29Å; E534-G536 VanDerWaalsContact C-N 3.33Å; E534-L573 HydrophobicContact CB-CD1 4.1Å; E534-L600 HydrophobicContact CB-CD1 4.5Å; E534-L600 HydrophobicContact CB-CD2 4.33Å; E534-L600 HydrophobicContact CG-CD1 4.37Å
535	S	89	Confident	91.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.8	179.2	79.1	0	0	0	0	114.6	V531 A532 A537 A566 A570	V531-S535 WeakPolarHBondContact O-CB 3.12Å; V531-S535 PolarHBondContact O-N 2.95Å; V531-S535 PolarHBondContact O-OG 3.49Å; A532-S535 PolarHBondContact O-OG 3.34Å; S535-A537 VanDerWaalsContact C-N 3.28Å; S535-A537 WeakPolarHBondContact OG-CB 3.42Å; S535-A537 PolarHBondContact OG-N 3.01Å; S535-A566 VanDerWaalsContact CB-O 3.28Å; S535-A566 WeakPolarHBondContact CB-O 3.47Å; S535-A566 PolarHBondContact OG-O 3.46Å; S535-A570 WeakPolarHBondContact OG-CB 3.03Å
536	G	88.1	Confident	91.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	10	-173.6	0	0	0	0	0	114.6	A532 M533 E534 N593	A532-G536 CarbonylContact O-C 3.52Å; A532-G536 PolarHBondContact O-N 2.93Å; M533-G536 PolarHBondContact O-N 3.42Å; E534-G536 VanDerWaalsContact C-N 3.33Å; G536-N593 VanDerWaalsContact CA-OD1 3.25Å; G536-N593 WeakPolarHBondContact CA-OD1 3.49Å; G536-N593 PolarHBondContact O-ND2 3.42Å
537	A	91.9	Very high	91.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.263	C	S	.	.			trans	-79.9	-26.3	179.1	0	0	0	0	0	114.2	A532 S535 D539 F540 I541 A566 V567	A532-A537 HydrophobicContact CB-CB 4.29Å; A532-A537 PolarHBondContact O-N 2.89Å; S535-A537 VanDerWaalsContact C-N 3.28Å; S535-A537 WeakPolarHBondContact OG-CB 3.42Å; S535-A537 PolarHBondContact OG-N 3.01Å; A537-D539 PolarHBondContact O-N 3.27Å; A537-F540 VanDerWaalsContact CA-CE1 3.43Å; A537-F540 HydrophobicContact CB-CE1 3.86Å; A537-F540 HydrophobicContact CB-CZ 4.2Å; A537-F540 WeakPolarHBondContact O-CD1 3.19Å; A537-I541 HydrophobicContact CB-CD1 3.77Å; A537-I541 WeakPolarHBondContact O-CB 3.35Å; A537-I541 WeakPolarHBondContact O-CD1 3.35Å; A537-I541 WeakPolarHBondContact O-CG1 3.43Å; A537-I541 PolarHBondContact O-N 3.17Å; A537-I541 VanDerWaalsContact O-N 3.09Å; A537-A566 HydrophobicContact CB-CB 4.02Å; A537-V567 HydrophobicContact CB-CG2 4.44Å
538	H	93.9	Very high	91.8	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.185	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-44.8	-174.5	-179.8	71.6	0	0	0	113	A532 M533 F540 I541 S542 Y548	A532-H538 HydrophobicContact CB-CB 4.17Å; A532-H538 PolarHBondContact O-N 2.94Å; M533-H538 HydrophobicContact CB-CB 4.4Å; M533-H538 HydrophobicContact CG-CB 3.7Å; H538-F540 VanDerWaalsContact C-N 3.32Å; H538-F540 PolarHBondContact O-N 3.44Å; H538-I541 PolarHBondContact O-N 2.97Å; H538-S542 PolarHBondContact CE1-OG 3.08Å; H538-S542 PolarHBondContact ND1-OG 3.35Å; H538-S542 PolarHBondContact NE2-OG 3.46Å; H538-S542 WeakPolarHBondContact O-CB 3.41Å; H538-S542 PolarHBondContact O-N 3.46Å; H538-S542 PolarHBondContact O-OG 2.88Å; H538-S542 VanDerWaalsContact O-OG 3.05Å; H538-Y548 AromaticContact ND1-CE2 3.97Å; H538-Y548 AromaticContact ND1-CZ 3.88Å; H538-Y548 PolarHBondContact ND1-OH 3.43Å
539	D	90.3	Very high	91.8	Very high	92 Å²	92	46.6 Å²	46.6	49%	0.492	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-40.2	-170.8	-63.8	-17.7	0	0	0	111.7	A537 R596	A537-D539 PolarHBondContact O-N 3.27Å; D539-R596 IonicContact OD2-CZ 3.71Å; D539-R596 IonicContact OD2-NH2 3.77Å; D539-R596 PolarHBondContact OD2-NH2 3.46Å; D539-R596 VanDerWaalsContact OD2-NH2 3.15Å
540	F	90.9	Very high	91.7	Very high	36 Å²	36	45.9 Å²	45.9	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-84.8	-34.5	177.6	78.2	-102.9	0	0	0	112.8	F511 A537 H538 S542 G543 F544 Q563 A566 V567	F511-F540 AromaticContact CE1-CE2 3.85Å; F511-F540 HydrophobicContact CE1-CE2 3.85Å; F511-F540 AromaticContact CZ-CE2 3.99Å; F511-F540 HydrophobicContact CZ-CE2 3.99Å; A537-F540 VanDerWaalsContact CA-CE1 3.43Å; A537-F540 HydrophobicContact CB-CE1 3.86Å; A537-F540 HydrophobicContact CB-CZ 4.2Å; A537-F540 WeakPolarHBondContact O-CD1 3.19Å; H538-F540 VanDerWaalsContact C-N 3.32Å; H538-F540 PolarHBondContact O-N 3.44Å; F540-S542 VanDerWaalsContact C-N 3.31Å; F540-S542 PolarHBondContact O-N 3.08Å; F540-G543 PolarHBondContact O-N 3.39Å; F540-G543 VanDerWaalsContact O-N 3.07Å; F540-F544 AromaticContact CD2-CE2 4Å; F540-F544 HydrophobicContact CD2-CE2 4Å; F540-F544 VanDerWaalsContact O-CD2 3.28Å; F540-F544 WeakPolarHBondContact O-CD2 3.45Å; F540-Q563 HydrophobicContact CD1-CG 3.98Å; F540-Q563 HydrophobicContact CD2-CG 4.02Å; F540-Q563 HydrophobicContact CE1-CB 4.05Å; F540-Q563 HydrophobicContact CE1-CG 3.87Å; F540-Q563 HydrophobicContact CE2-CB 4.02Å; F540-Q563 HydrophobicContact CE2-CG 3.96Å; F540-Q563 HydrophobicContact CG-CG 4.03Å; F540-Q563 HydrophobicContact CZ-CB 3.71Å; F540-Q563 HydrophobicContact CZ-CG 3.86Å; F540-A566 HydrophobicContact CE1-CB 4.02Å; F540-V567 HydrophobicContact CE2-CG2 4.45Å; F540-V567 HydrophobicContact CZ-CG2 3.77Å
541	I	94.1	Very high	91.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-44.1	178	-69.7	169	0	0	0	109.7	F511 I515 A537 H538 G543 F544 G547 Y548 V567	F511-I541 HydrophobicContact CB-CD1 4.24Å; F511-I541 HydrophobicContact CB-CG2 4.35Å; F511-I541 HydrophobicContact CD1-CD1 4.03Å; F511-I541 HydrophobicContact CD1-CG1 3.93Å; F511-I541 HydrophobicContact CD2-CG1 4.22Å; F511-I541 HydrophobicContact CD2-CG2 4.05Å; F511-I541 HydrophobicContact CE1-CG1 4.08Å; F511-I541 HydrophobicContact CE2-CG1 4.37Å; F511-I541 HydrophobicContact CG-CD1 4.15Å; F511-I541 HydrophobicContact CG-CG1 3.99Å; F511-I541 HydrophobicContact CG-CG2 4.26Å; F511-I541 HydrophobicContact CZ-CG1 4.29Å; I515-I541 HydrophobicContact CD1-CD1 4.27Å; A537-I541 HydrophobicContact CB-CD1 3.77Å; A537-I541 WeakPolarHBondContact O-CB 3.35Å; A537-I541 WeakPolarHBondContact O-CD1 3.35Å; A537-I541 WeakPolarHBondContact O-CG1 3.43Å; A537-I541 PolarHBondContact O-N 3.17Å; A537-I541 VanDerWaalsContact O-N 3.09Å; H538-I541 PolarHBondContact O-N 2.97Å; I541-G543 PolarHBondContact O-N 3.24Å; I541-F544 PolarHBondContact O-N 2.98Å; I541-F544 VanDerWaalsContact O-N 3.11Å; I541-G547 WeakPolarHBondContact O-CA 3.17Å; I541-Y548 HydrophobicContact CD1-CD1 4.47Å; I541-Y548 HydrophobicContact CD1-CE1 4.04Å; I541-Y548 HydrophobicContact CG2-CD1 3.8Å; I541-Y548 HydrophobicContact CG2-CD2 3.87Å; I541-Y548 HydrophobicContact CG2-CE1 3.93Å; I541-Y548 HydrophobicContact CG2-CE2 4Å; I541-Y548 HydrophobicContact CG2-CG 3.76Å; I541-V567 HydrophobicContact CD1-CG2 4.43Å
542	S	92.4	Very high	91.3	Very high	61 Å²	61	49.9 Å²	49.9	43%	0.427	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	176.8	-63.8	0	0	0	0	113.5	H538 F540 F544	H538-S542 PolarHBondContact CE1-OG 3.08Å; H538-S542 PolarHBondContact ND1-OG 3.35Å; H538-S542 PolarHBondContact NE2-OG 3.46Å; H538-S542 WeakPolarHBondContact O-CB 3.41Å; H538-S542 PolarHBondContact O-N 3.46Å; H538-S542 PolarHBondContact O-OG 2.88Å; H538-S542 VanDerWaalsContact O-OG 3.05Å; F540-S542 VanDerWaalsContact C-N 3.31Å; F540-S542 PolarHBondContact O-N 3.08Å; S542-F544 VanDerWaalsContact C-N 3.35Å
543	G	90.7	Very high	90.7	Very high	67 Å²	67	50.7 Å²	50.7	69%	0.691	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.8	174.9	0	0	0	0	0	114.4	F540 I541	F540-G543 PolarHBondContact O-N 3.39Å; F540-G543 VanDerWaalsContact O-N 3.07Å; I541-G543 PolarHBondContact O-N 3.24Å
544	F	91.8	Very high	90	Very high	57 Å²	57	54.4 Å²	54.4	25%	0.25	31%	0.305	C	S	.	.	S	Bend	trans	-78.5	148.1	176.7	-78.7	-90.6	0	0	0	111.9	F511 F540 I541 S542 Q546 G547 T550 L559	F511-F544 AromaticContact CE2-CD2 3.87Å; F511-F544 HydrophobicContact CE2-CD2 3.87Å; F511-F544 HydrophobicContact CE2-CE2 4.04Å; F511-F544 HydrophobicContact CE2-CG 4.27Å; F511-F544 HydrophobicContact CZ-CD2 4.15Å; F511-F544 AromaticContact CZ-CE2 3.85Å; F511-F544 HydrophobicContact CZ-CE2 3.85Å; F511-F544 HydrophobicContact CZ-CZ 4.3Å; F540-F544 AromaticContact CD2-CE2 4Å; F540-F544 HydrophobicContact CD2-CE2 4Å; F540-F544 VanDerWaalsContact O-CD2 3.28Å; F540-F544 WeakPolarHBondContact O-CD2 3.45Å; I541-F544 PolarHBondContact O-N 2.98Å; I541-F544 VanDerWaalsContact O-N 3.11Å; S542-F544 VanDerWaalsContact C-N 3.35Å; F544-Q546 PolarHBondContact O-N 3.06Å; F544-Q546 VanDerWaalsContact O-N 3.11Å; F544-G547 PolarHBondContact O-N 3.21Å; F544-T550 HydrophobicContact CB-CG2 4.16Å; F544-T550 VanDerWaalsContact CB-OG1 3.31Å; F544-T550 WeakPolarHBondContact CB-OG1 3.36Å; F544-T550 HydrophobicContact CD1-CG2 3.75Å; F544-T550 HydrophobicContact CE1-CG2 4.42Å; F544-T550 HydrophobicContact CG-CG2 4.11Å; F544-L559 HydrophobicContact CE2-CD2 4.39Å; F544-L559 HydrophobicContact CZ-CD2 4Å
545	P	86.9	Confident	89.2	Confident	134 Å²	134	54.3 Å²	54.3	87%	0.87	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.1	-177.4	-26.6	34.4	0	0	0	115.3
546	Q	91.9	Very high	88.2	Confident	132 Å²	132	54.3 Å²	54.3	62%	0.617	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	10.3	178.2	-65.2	179.8	-14.8	0	0	112.4	F544 Y548 D549 T550	F544-Q546 PolarHBondContact O-N 3.06Å; F544-Q546 VanDerWaalsContact O-N 3.11Å; Q546-Y548 PolarHBondContact O-N 3.04Å; Q546-D549 PolarHBondContact O-N 3.19Å; Q546-T550 WeakPolarHBondContact CB-OG1 3.47Å
547	G	93.5	Very high	87.5	Confident	17 Å²	17	60 Å²	60	18%	0.175	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	51.4	-125	-179.1	0	0	0	0	0	112.4	I541 F544 D549 T550	I541-G547 WeakPolarHBondContact O-CA 3.17Å; F544-G547 PolarHBondContact O-N 3.21Å; G547-D549 PolarHBondContact O-N 3.41Å; G547-T550 PolarHBondContact N-OG1 3.22Å; G547-T550 VanDerWaalsContact O-CB 3.3Å; G547-T550 WeakPolarHBondContact O-CB 3.47Å; G547-T550 PolarHBondContact O-N 2.89Å; G547-T550 PolarHBondContact O-OG1 3.18Å
548	Y	94.6	Very high	86.8	Confident	20 Å²	20	66.3 Å²	66.3	8%	0.078	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-67	-19	179.6	-75.8	-89.8	0	0	0	115.2	F511 R512 I515 M525 I528 A532 H538 I541 Q546 T550	F511-Y548 WeakPolarHBondContact CB-O 3.4Å; F511-Y548 PolarHBondContact N-O 2.65Å; R512-Y548 PolarHBondContact N-O 2.94Å; I515-Y548 HydrophobicContact CD1-CD1 4.41Å; I515-Y548 HydrophobicContact CD1-CE1 4.11Å; M525-Y548 HydrophobicContact CE-CD1 4.12Å; M525-Y548 HydrophobicContact CE-CD2 3.77Å; M525-Y548 HydrophobicContact CE-CE2 4.34Å; M525-Y548 HydrophobicContact CE-CG 3.65Å; I528-Y548 HydrophobicContact CG2-CD1 3.82Å; I528-Y548 HydrophobicContact CG2-CE1 3.72Å; A532-Y548 HydrophobicContact CB-CE1 4.02Å; A532-Y548 WeakPolarHBondContact CB-OH 3.15Å; H538-Y548 AromaticContact ND1-CE2 3.97Å; H538-Y548 AromaticContact ND1-CZ 3.88Å; H538-Y548 PolarHBondContact ND1-OH 3.43Å; I541-Y548 HydrophobicContact CD1-CD1 4.47Å; I541-Y548 HydrophobicContact CD1-CE1 4.04Å; I541-Y548 HydrophobicContact CG2-CD1 3.8Å; I541-Y548 HydrophobicContact CG2-CD2 3.87Å; I541-Y548 HydrophobicContact CG2-CE1 3.93Å; I541-Y548 HydrophobicContact CG2-CE2 4Å; I541-Y548 HydrophobicContact CG2-CG 3.76Å; Q546-Y548 PolarHBondContact O-N 3.04Å; Y548-T550 VanDerWaalsContact C-N 3.31Å
549	D	94.7	Very high	86.4	Confident	80 Å²	80	65 Å²	65	43%	0.428	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-89.6	-3	-179.6	-60	-38.9	0	0	0	111.9	R512 Q546 G547 E551	R512-D549 IonicContact CZ-OD1 3.77Å; R512-D549 VanDerWaalsContact CZ-OD1 3.28Å; R512-D549 IonicContact NE-OD1 2.71Å; R512-D549 PolarHBondContact NE-OD1 3.21Å; R512-D549 IonicContact NH2-OD1 3.4Å; R512-D549 PolarHBondContact NH2-OD1 2.89Å; R512-D549 IonicContact NH2-OD2 3.46Å; R512-D549 PolarHBondContact NH2-OD2 3.49Å; Q546-D549 PolarHBondContact O-N 3.19Å; G547-D549 PolarHBondContact O-N 3.41Å; D549-E551 PolarHBondContact O-N 2.9Å
550	T	93	Very high	86.3	Confident	16 Å²	16	63.6 Å²	63.6	10%	0.098	36%	0.36	C	S	.	.			trans	-62.2	128.4	173.8	-48.6	0	0	0	0	111.2	S510 F511 F544 Q546 G547 Y548	S510-T550 VanDerWaalsContact CA-O 3.26Å; S510-T550 WeakPolarHBondContact CA-O 3.43Å; F511-T550 WeakPolarHBondContact CD2-O 3.43Å; F511-T550 HydrophobicContact CE2-CG2 4.26Å; F511-T550 PolarHBondContact N-O 3.23Å; F511-T550 VanDerWaalsContact N-O 3.14Å; F544-T550 HydrophobicContact CB-CG2 4.16Å; F544-T550 VanDerWaalsContact CB-OG1 3.31Å; F544-T550 WeakPolarHBondContact CB-OG1 3.36Å; F544-T550 HydrophobicContact CD1-CG2 3.75Å; F544-T550 HydrophobicContact CE1-CG2 4.42Å; F544-T550 HydrophobicContact CG-CG2 4.11Å; Q546-T550 WeakPolarHBondContact CB-OG1 3.47Å; G547-T550 PolarHBondContact N-OG1 3.22Å; G547-T550 VanDerWaalsContact O-CB 3.3Å; G547-T550 WeakPolarHBondContact O-CB 3.47Å; G547-T550 PolarHBondContact O-N 2.89Å; G547-T550 PolarHBondContact O-OG1 3.18Å; Y548-T550 VanDerWaalsContact C-N 3.31Å
551	E	91.1	Very high	86.1	Confident	140 Å²	140	63.3 Å²	63.3	65%	0.654	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-74.1	132.5	174.3	-66.1	-173.3	172.8	0	0	112.1	D549	D549-E551 PolarHBondContact O-N 2.9Å
552	V	86	Confident	85.8	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	37%	0.373	C	S	.	.			trans	-83.9	-11.6	-172.1	179.5	0	0	0	0	113	L506 R509 F511 L559	L506-V552 HydrophobicContact CB-CG1 4.13Å; L506-V552 HydrophobicContact CD1-CG1 3.67Å; R509-V552 WeakPolarHBondContact O-CG2 3.47Å; R509-V552 PolarHBondContact O-N 2.87Å; F511-V552 HydrophobicContact CD1-CG2 3.56Å; F511-V552 HydrophobicContact CD2-CG2 4.25Å; F511-V552 HydrophobicContact CE1-CG2 3.64Å; F511-V552 HydrophobicContact CE2-CG2 4.31Å; F511-V552 HydrophobicContact CG-CG2 3.9Å; F511-V552 HydrophobicContact CZ-CG2 4.03Å; V552-L559 HydrophobicContact CG1-CD1 3.49Å; V552-L559 VanDerWaalsContact CG1-CD1 3.49Å; V552-L559 HydrophobicContact CG1-CG 3.97Å
553	G	80.4	Confident	85.7	Confident	17 Å²	17	63.4 Å²	63.4	18%	0.175	36%	0.364	C	S	.	.			trans	76.1	171	-175.6	0	0	0	0	0	114.1	G508 T555 G556	G508-G553 WeakPolarHBondContact CA-O 3.38Å; G553-T555 PolarHBondContact O-N 3.35Å; G553-G556 PolarHBondContact O-N 2.97Å
554	E	76.1	Confident	85.7	Confident	165 Å²	165	63.6 Å²	63.6	77%	0.771	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-57.4	129.3	178.4	-67.3	-174.1	168.9	0	0	110.9	G556 N557	E554-G556 PolarHBondContact O-N 3.45Å; E554-N557 PolarHBondContact O-N 2.94Å; E554-N557 VanDerWaalsContact O-N 3.1Å
555	T	71.4	Confident	85.6	Confident	65 Å²	65	61.2 Å²	61.2	40%	0.399	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	52.4	13.3	-177.6	55.8	0	0	0	0	116	L505 L506 G553 N557	L505-T555 HydrophobicContact CD2-CG2 4.47Å; L506-T555 WeakPolarHBondContact O-CA 3.47Å; G553-T555 PolarHBondContact O-N 3.35Å; T555-N557 VanDerWaalsContact C-N 3.34Å; T555-N557 VanDerWaalsContact OG1-CG 3.31Å; T555-N557 PolarHBondContact OG1-ND2 3.31Å; T555-N557 PolarHBondContact OG1-OD1 2.84Å
556	G	68.9	Low	85.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	66.4	30.9	-174.3	0	0	0	0	0	114.6	G553 E554 Q558 L559	G553-G556 PolarHBondContact O-N 2.97Å; E554-G556 PolarHBondContact O-N 3.45Å; G556-Q558 PolarHBondContact O-N 3.4Å; G556-L559 PolarHBondContact O-N 3.35Å
557	N	73.8	Confident	86	Confident	120 Å²	120	48.6 Å²	48.6	64%	0.642	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.3	-179.6	-69.2	-10.6	0	0	0	114.1	E554 T555 L559	E554-N557 PolarHBondContact O-N 2.94Å; E554-N557 VanDerWaalsContact O-N 3.1Å; T555-N557 VanDerWaalsContact C-N 3.34Å; T555-N557 VanDerWaalsContact OG1-CG 3.31Å; T555-N557 PolarHBondContact OG1-ND2 3.31Å; T555-N557 PolarHBondContact OG1-OD1 2.84Å; N557-L559 VanDerWaalsContact C-N 3.29Å
558	Q	77	Confident	86	Confident	132 Å²	132	48.1 Å²	48.1	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.9	175.6	-59.8	-176.9	6.3	0	0	113.2	G556	G556-Q558 PolarHBondContact O-N 3.4Å
559	L	85.4	Confident	85.9	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	26%	0.255	C	S	.	.	S	Bend	trans	-109.9	148.5	-175.1	-60.3	-176	0	0	0	112.4	L506 F511 F544 V552 G556 N557 Q563 R564	L506-L559 HydrophobicContact CD1-CD1 3.59Å; F511-L559 HydrophobicContact CE1-CD1 3.74Å; F511-L559 HydrophobicContact CE1-CD2 4.17Å; F511-L559 HydrophobicContact CZ-CD1 4.25Å; F511-L559 HydrophobicContact CZ-CD2 3.85Å; F544-L559 HydrophobicContact CE2-CD2 4.39Å; F544-L559 HydrophobicContact CZ-CD2 4Å; V552-L559 HydrophobicContact CG1-CD1 3.49Å; V552-L559 VanDerWaalsContact CG1-CD1 3.49Å; V552-L559 HydrophobicContact CG1-CG 3.97Å; G556-L559 PolarHBondContact O-N 3.35Å; N557-L559 VanDerWaalsContact C-N 3.29Å; L559-Q563 HydrophobicContact CB-CB 3.99Å; L559-Q563 HydrophobicContact CD1-CB 4.48Å; L559-Q563 HydrophobicContact CD2-CB 4.45Å; L559-R564 HydrophobicContact CB-CG 3.73Å; L559-R564 HydrophobicContact CD1-CG 4.24Å
560	S	88	Confident	85.9	Confident	62 Å²	62	43.5 Å²	43.5	43%	0.434	24%	0.235	S	C	.	.			trans	-65.9	161.6	169.2	77.5	0	0	0	0	111.5	G562 Q563 R564	S560-G562 VanDerWaalsContact C-N 3.31Å; S560-G562 PolarHBondContact O-N 3.03Å; S560-Q563 PolarHBondContact O-N 3.12Å; S560-Q563 VanDerWaalsContact OG-CG 3.3Å; S560-Q563 WeakPolarHBondContact OG-CG 3.46Å; S560-Q563 PolarHBondContact OG-N 2.95Å; S560-R564 WeakPolarHBondContact O-CG 3.48Å; S560-R564 PolarHBondContact O-N 3.41Å
561	G	86.4	Confident	85.9	Confident	31 Å²	31	44.3 Å²	44.3	32%	0.32	24%	0.236	S	C	.	.	H	α-helix	trans	-53.1	-47	175.4	0	0	0	0	0	112.9	R564 Q565	G561-R564 PolarHBondContact O-N 2.87Å; G561-Q565 PolarHBondContact O-N 2.94Å
562	G	87.3	Confident	86	Confident	11 Å²	11	37.9 Å²	37.9	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-40.6	177.2	0	0	0	0	0	113.9	S560 R564 Q565 A566 A588 L589	S560-G562 VanDerWaalsContact C-N 3.31Å; S560-G562 PolarHBondContact O-N 3.03Å; G562-R564 VanDerWaalsContact C-N 3.34Å; G562-R564 PolarHBondContact O-N 2.86Å; G562-Q565 PolarHBondContact O-N 3.43Å; G562-A566 PolarHBondContact O-N 2.82Å; G562-A588 WeakPolarHBondContact CA-O 3.44Å; G562-A588 PolarHBondContact N-O 3.46Å; G562-L589 VanDerWaalsContact O-CD2 3.23Å; G562-L589 WeakPolarHBondContact O-CD2 3.37Å
563	Q	90	Very high	86.3	Confident	52 Å²	52	38 Å²	38	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-41	176.2	-74.6	170.3	-18	0	0	111.8	F540 L559 S560 A566 V567	F540-Q563 HydrophobicContact CD1-CG 3.98Å; F540-Q563 HydrophobicContact CD2-CG 4.02Å; F540-Q563 HydrophobicContact CE1-CB 4.05Å; F540-Q563 HydrophobicContact CE1-CG 3.87Å; F540-Q563 HydrophobicContact CE2-CB 4.02Å; F540-Q563 HydrophobicContact CE2-CG 3.96Å; F540-Q563 HydrophobicContact CG-CG 4.03Å; F540-Q563 HydrophobicContact CZ-CB 3.71Å; F540-Q563 HydrophobicContact CZ-CG 3.86Å; L559-Q563 HydrophobicContact CB-CB 3.99Å; L559-Q563 HydrophobicContact CD1-CB 4.48Å; L559-Q563 HydrophobicContact CD2-CB 4.45Å; S560-Q563 PolarHBondContact O-N 3.12Å; S560-Q563 VanDerWaalsContact OG-CG 3.3Å; S560-Q563 WeakPolarHBondContact OG-CG 3.46Å; S560-Q563 PolarHBondContact OG-N 2.95Å; Q563-A566 PolarHBondContact O-N 2.97Å; Q563-V567 WeakPolarHBondContact O-CG2 3.47Å; Q563-V567 PolarHBondContact O-N 3.35Å; Q563-V567 VanDerWaalsContact O-N 3.11Å
564	R	91.4	Very high	86.9	Confident	71 Å²	71	37.5 Å²	37.5	27%	0.268	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-42.5	174.9	-68.5	-173.8	-72.2	179.4	2.8	111.8	P504 L506 L559 S560 G561 G562 V567 A568	P504-R564 HydrophobicContact CG-CB 4.32Å; L506-R564 HydrophobicContact CD1-CB 4.37Å; L506-R564 HydrophobicContact CD1-CG 4.03Å; L506-R564 HydrophobicContact CG-CG 4.5Å; L559-R564 HydrophobicContact CB-CG 3.73Å; L559-R564 HydrophobicContact CD1-CG 4.24Å; S560-R564 WeakPolarHBondContact O-CG 3.48Å; S560-R564 PolarHBondContact O-N 3.41Å; G561-R564 PolarHBondContact O-N 2.87Å; G562-R564 VanDerWaalsContact C-N 3.34Å; G562-R564 PolarHBondContact O-N 2.86Å; R564-V567 PolarHBondContact O-N 3.23Å; R564-A568 WeakPolarHBondContact O-CB 3.38Å; R564-A568 PolarHBondContact O-N 3.19Å
565	Q	90.9	Very high	87.6	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-45.4	174.9	-75	-176.2	-16.9	0	0	112.4	Q502 P504 G561 G562 V567 A568 L569 D584 A585 L589	Q502-Q565 PolarHBondContact O-NE2 3.2Å; P504-Q565 HydrophobicContact CG-CB 4.49Å; P504-Q565 HydrophobicContact CG-CG 3.93Å; G561-Q565 PolarHBondContact O-N 2.94Å; G562-Q565 PolarHBondContact O-N 3.43Å; Q565-V567 PolarHBondContact O-N 3.44Å; Q565-A568 PolarHBondContact O-N 3.08Å; Q565-L569 WeakPolarHBondContact O-CB 3.47Å; Q565-L569 PolarHBondContact O-N 3.32Å; Q565-D584 PolarHBondContact NE2-O 3.12Å; Q565-A585 PolarHBondContact OE1-O 3.11Å; Q565-L589 HydrophobicContact CB-CD2 4.23Å; Q565-L589 HydrophobicContact CB-CG 4.49Å
566	A	92.1	Very high	88.5	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-39.2	179	0	0	0	0	0	113	S535 A537 F540 G562 Q563 A570 L589	S535-A566 VanDerWaalsContact CB-O 3.28Å; S535-A566 WeakPolarHBondContact CB-O 3.47Å; S535-A566 PolarHBondContact OG-O 3.46Å; A537-A566 HydrophobicContact CB-CB 4.02Å; F540-A566 HydrophobicContact CE1-CB 4.02Å; G562-A566 PolarHBondContact O-N 2.82Å; Q563-A566 PolarHBondContact O-N 2.97Å; A566-A570 PolarHBondContact O-N 2.9Å; A566-L589 HydrophobicContact CB-CD2 3.94Å
567	V	93.9	Very high	89.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-41.5	175.5	174.3	0	0	0	0	111.3	L506 F511 N514 I515 A537 F540 I541 Q563 R564 Q565 L569 A570 R571	L506-V567 HydrophobicContact CD1-CB 4.19Å; L506-V567 HydrophobicContact CD1-CG1 4.1Å; L506-V567 HydrophobicContact CD2-CB 4.2Å; L506-V567 HydrophobicContact CD2-CG1 3.74Å; F511-V567 HydrophobicContact CD1-CG2 3.9Å; F511-V567 HydrophobicContact CE1-CG2 4Å; N514-V567 HydrophobicContact CB-CG1 4.19Å; I515-V567 HydrophobicContact CG1-CG1 4.26Å; A537-V567 HydrophobicContact CB-CG2 4.44Å; F540-V567 HydrophobicContact CE2-CG2 4.45Å; F540-V567 HydrophobicContact CZ-CG2 3.77Å; I541-V567 HydrophobicContact CD1-CG2 4.43Å; Q563-V567 WeakPolarHBondContact O-CG2 3.47Å; Q563-V567 PolarHBondContact O-N 3.35Å; Q563-V567 VanDerWaalsContact O-N 3.11Å; R564-V567 PolarHBondContact O-N 3.23Å; Q565-V567 PolarHBondContact O-N 3.44Å; V567-L569 VanDerWaalsContact C-N 3.29Å; V567-L569 PolarHBondContact O-N 3.36Å; V567-A570 PolarHBondContact O-N 3.45Å; V567-R571 PolarHBondContact O-N 3.15Å
568	A	93.4	Very high	90.6	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-35.3	176.6	0	0	0	0	0	112.1	V500 P504 R564 Q565 R571 A572	V500-A568 HydrophobicContact CG1-CB 3.91Å; P504-A568 HydrophobicContact CB-CB 3.33Å; P504-A568 HydrophobicContact CG-CB 3.77Å; R564-A568 WeakPolarHBondContact O-CB 3.38Å; R564-A568 PolarHBondContact O-N 3.19Å; Q565-A568 PolarHBondContact O-N 3.08Å; A568-R571 WeakPolarHBondContact O-CB 3.42Å; A568-R571 PolarHBondContact O-N 3.42Å; A568-A572 PolarHBondContact O-N 2.86Å
569	L	93.1	Very high	91.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-47.4	172.1	-176	62.3	0	0	0	111	V500 Q565 V567 R571 A572 L573 L582 V597	V500-L569 HydrophobicContact CG2-CD1 4.14Å; Q565-L569 WeakPolarHBondContact O-CB 3.47Å; Q565-L569 PolarHBondContact O-N 3.32Å; V567-L569 VanDerWaalsContact C-N 3.29Å; V567-L569 PolarHBondContact O-N 3.36Å; L569-R571 VanDerWaalsContact C-N 3.26Å; L569-R571 PolarHBondContact O-N 3.48Å; L569-A572 WeakPolarHBondContact O-CA 3.49Å; L569-A572 WeakPolarHBondContact O-CB 3.41Å; L569-A572 PolarHBondContact O-N 2.94Å; L569-L573 HydrophobicContact CD1-CD1 4.46Å; L569-L573 HydrophobicContact CD1-CD2 4.36Å; L569-L573 HydrophobicContact CD1-CG 4.2Å; L569-L573 HydrophobicContact CG-CD1 4.01Å; L569-L573 HydrophobicContact CG-CG 4.2Å; L569-L573 VanDerWaalsContact O-CG 3.28Å; L569-L573 WeakPolarHBondContact O-CG 3.35Å; L569-L573 PolarHBondContact O-N 2.83Å; L569-L582 HydrophobicContact CD1-CD2 3.82Å; L569-V597 HydrophobicContact CD2-CB 4.35Å; L569-V597 HydrophobicContact CD2-CG1 3.98Å; L569-V597 HydrophobicContact CD2-CG2 3.38Å
570	A	93.8	Very high	91.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.6	-42.4	172.9	0	0	0	0	0	112.3	I515 V531 S535 A566 V567 A572 L573 I574	I515-A570 HydrophobicContact CD1-CB 4.22Å; I515-A570 HydrophobicContact CG1-CB 4.03Å; I515-A570 HydrophobicContact CG2-CB 4.19Å; V531-A570 HydrophobicContact CG2-CB 4.27Å; S535-A570 WeakPolarHBondContact OG-CB 3.03Å; A566-A570 PolarHBondContact O-N 2.9Å; V567-A570 PolarHBondContact O-N 3.45Å; A570-A572 VanDerWaalsContact C-N 3.29Å; A570-A572 PolarHBondContact O-N 3.41Å; A570-L573 PolarHBondContact O-N 2.97Å; A570-I574 PolarHBondContact O-N 3.32Å
571	R	94.4	Very high	92.2	Very high	33 Å²	33	23.8 Å²	23.8	13%	0.125	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-33.7	174.8	-178.9	-167.8	-64.4	167	1	112.8	L505 N514 V567 A568 L569 I574	L505-R571 PolarHBondContact O-NH1 3.41Å; N514-R571 PolarHBondContact O-NE 3.48Å; N514-R571 PolarHBondContact O-NH2 3.27Å; N514-R571 PolarHBondContact OD1-NH2 3.36Å; V567-R571 PolarHBondContact O-N 3.15Å; A568-R571 WeakPolarHBondContact O-CB 3.42Å; A568-R571 PolarHBondContact O-N 3.42Å; L569-R571 VanDerWaalsContact C-N 3.26Å; L569-R571 PolarHBondContact O-N 3.48Å; R571-I574 WeakPolarHBondContact O-CG2 3.19Å
572	A	93.1	Very high	92.5	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-76.4	-43.6	174.7	0	0	0	0	0	111.8	A498 V500 A568 L569 A570 R575 P577 L580	A498-A572 HydrophobicContact CB-CB 3.91Å; V500-A572 HydrophobicContact CG2-CB 3.65Å; A568-A572 PolarHBondContact O-N 2.86Å; L569-A572 WeakPolarHBondContact O-CA 3.49Å; L569-A572 WeakPolarHBondContact O-CB 3.41Å; L569-A572 PolarHBondContact O-N 2.94Å; A570-A572 VanDerWaalsContact C-N 3.29Å; A570-A572 PolarHBondContact O-N 3.41Å; A572-R575 PolarHBondContact O-N 2.97Å; A572-P577 WeakPolarHBondContact O-CD 3.41Å; A572-L580 HydrophobicContact CB-CD1 4.1Å
573	L	92	Very high	92.8	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-38.2	-176.2	-64.6	177.2	0	0	0	112.8	V531 E534 L569 A570 R575 K576 L600 W607	V531-L573 HydrophobicContact CB-CB 4.35Å; V531-L573 HydrophobicContact CG1-CB 4.39Å; E534-L573 HydrophobicContact CB-CD1 4.1Å; L569-L573 HydrophobicContact CD1-CD1 4.46Å; L569-L573 HydrophobicContact CD1-CD2 4.36Å; L569-L573 HydrophobicContact CD1-CG 4.2Å; L569-L573 HydrophobicContact CG-CD1 4.01Å; L569-L573 HydrophobicContact CG-CG 4.2Å; L569-L573 VanDerWaalsContact O-CG 3.28Å; L569-L573 WeakPolarHBondContact O-CG 3.35Å; L569-L573 PolarHBondContact O-N 2.83Å; A570-L573 PolarHBondContact O-N 2.97Å; L573-R575 PolarHBondContact O-N 3.32Å; L573-R575 VanDerWaalsContact O-N 3.09Å; L573-K576 PolarHBondContact O-N 3.36Å; L573-L600 HydrophobicContact CD1-CD2 3.63Å; L573-L600 HydrophobicContact CD2-CD2 3.77Å; L573-L600 HydrophobicContact CG-CD2 4.38Å; L573-W607 HydrophobicContact CD2-CH2 3.7Å; L573-W607 HydrophobicContact CD2-CZ2 3.21Å
574	I	92.9	Very high	92.6	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.036	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.8	-179	-159.7	166.2	0	0	0	113.5	I515 L519 P523 I528 V531 A570 R571 K576	I515-I574 HydrophobicContact CG2-CD1 3.88Å; I515-I574 WeakPolarHBondContact O-CG2 3.24Å; L519-I574 HydrophobicContact CD1-CD1 3.96Å; L519-I574 HydrophobicContact CD1-CG1 4.03Å; L519-I574 HydrophobicContact CD1-CG2 4Å; P523-I574 HydrophobicContact CB-CD1 3.82Å; P523-I574 HydrophobicContact CG-CD1 3.88Å; I528-I574 HydrophobicContact CG1-CD1 3.99Å; V531-I574 HydrophobicContact CG1-CB 4.17Å; V531-I574 HydrophobicContact CG1-CG1 4.39Å; V531-I574 HydrophobicContact CG2-CB 4.1Å; V531-I574 HydrophobicContact CG2-CD1 4.27Å; V531-I574 HydrophobicContact CG2-CG1 4.33Å; A570-I574 PolarHBondContact O-N 3.32Å; R571-I574 WeakPolarHBondContact O-CG2 3.19Å; I574-K576 VanDerWaalsContact C-N 3.28Å; I574-K576 PolarHBondContact O-N 3.5Å
575	R	90.8	Very high	92	Very high	61 Å²	61	17.6 Å²	17.6	23%	0.23	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.9	177.5	-62	-177.1	-178.8	-167.1	1.3	113.2	H494 Y517 L519 A572 L573	H494-R575 PolarHBondContact O-NH1 3.44Å; H494-R575 VanDerWaalsContact O-NH1 3.17Å; Y517-R575 PolarHBondContact O-NH2 3.08Å; L519-R575 HydrophobicContact CD2-CG 4.03Å; A572-R575 PolarHBondContact O-N 2.97Å; L573-R575 PolarHBondContact O-N 3.32Å; L573-R575 VanDerWaalsContact O-N 3.09Å
576	K	89.9	Confident	91.5	Very high	118 Å²	118	17.6 Å²	17.6	51%	0.513	8%	0.077	S	C	.	.			trans	49.8	55.6	-174.3	-58.3	-177.2	179.3	-173.9	0	112.2	L573 I574	L573-K576 PolarHBondContact O-N 3.36Å; I574-K576 VanDerWaalsContact C-N 3.28Å; I574-K576 PolarHBondContact O-N 3.5Å
577	P	92.8	Very high	90.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.			trans	-66.4	151.1	-174	32.1	-39.5	0	0	0	112	Q496 A498 A572 L580 W607 R610	Q496-P577 CarbonylContact O-C 3.47Å; Q496-P577 WeakPolarHBondContact O-CA 3.43Å; Q496-P577 VanDerWaalsContact O-CB 3.29Å; Q496-P577 WeakPolarHBondContact O-CB 3.44Å; A498-P577 HydrophobicContact CB-CB 3.74Å; A498-P577 HydrophobicContact CB-CG 3.68Å; A572-P577 WeakPolarHBondContact O-CD 3.41Å; P577-L580 HydrophobicContact CG-CB 4.37Å; P577-L580 HydrophobicContact CG-CD1 4.39Å; P577-W607 HydrophobicContact CG-CH2 4.17Å; P577-R610 VanDerWaalsContact O-CD 3.3Å; P577-R610 WeakPolarHBondContact O-CD 3.48Å
578	R	92.9	Very high	90.2	Very high	88 Å²	88	22 Å²	22	33%	0.332	11%	0.11	S	C	.	.	S	Bend	trans	-79.7	-28.7	170	-69.2	-71.2	-176.1	177.8	1.9	112.5	M415 Q496 T611	M415-R578 HydrophobicContact CB-CG 4.26Å; M415-R578 HydrophobicContact CG-CB 4.39Å; M415-R578 HydrophobicContact SD-CB 4.06Å; Q496-R578 PolarHBondContact O-N 3.37Å; R578-T611 PolarHBondContact O-N 2.97Å
579	L	94.6	Very high	89.6	Confident	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.3	174.4	178	64.1	0	0	0	109.3	V419 L444 L467 Q496 V497 A498 I581 T611	V419-L579 HydrophobicContact CG2-CD1 4.35Å; V419-L579 HydrophobicContact CG2-CD2 3.87Å; L444-L579 HydrophobicContact CD1-CD1 4.43Å; L467-L579 HydrophobicContact CD2-CD2 4.13Å; Q496-L579 PolarHBondContact O-N 3.45Å; V497-L579 WeakPolarHBondContact CA-O 3.31Å; V497-L579 HydrophobicContact CG1-CB 4.45Å; V497-L579 HydrophobicContact CG1-CD2 3.98Å; V497-L579 HydrophobicContact CG1-CG 4.26Å; V497-L579 HydrophobicContact CG2-CB 4.17Å; V497-L579 HydrophobicContact CG2-CD2 4.03Å; A498-L579 PolarHBondContact N-O 3.01Å; L579-I581 HydrophobicContact CG-CG1 4.41Å; L579-T611 WeakPolarHBondContact CA-O 3.46Å; L579-T611 HydrophobicContact CD1-CG2 3.51Å
580	L	94.9	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.5	174.4	178.4	68.1	0	0	0	110.1	A498 A572 P577 L582 L601 W607 T611 V612 L613	A498-L580 HydrophobicContact CB-CD1 4.28Å; A498-L580 WeakPolarHBondContact O-CA 3.33Å; A572-L580 HydrophobicContact CB-CD1 4.1Å; P577-L580 HydrophobicContact CG-CB 4.37Å; P577-L580 HydrophobicContact CG-CD1 4.39Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CD2-CD1 4.14Å; L580-L582 HydrophobicContact CD2-CD2 4.09Å; L580-L582 HydrophobicContact CD2-CG 4.11Å; L580-L582 HydrophobicContact CG-CD2 4.07Å; L580-L582 HydrophobicContact CG-CG 4.09Å; L580-L601 HydrophobicContact CD2-CD2 3.89Å; L580-W607 HydrophobicContact CB-CH2 4.17Å; L580-W607 HydrophobicContact CB-CZ3 3.67Å; L580-W607 HydrophobicContact CD2-CE3 4.32Å; L580-W607 HydrophobicContact CD2-CH2 3.6Å; L580-W607 HydrophobicContact CD2-CZ3 3.45Å; L580-W607 VanDerWaalsContact CD2-CZ3 3.45Å; L580-W607 HydrophobicContact CG-CH2 4.33Å; L580-W607 HydrophobicContact CG-CZ3 4.14Å; L580-T611 PolarHBondContact N-O 3.14Å; L580-V612 HydrophobicContact CB-CG2 4.47Å; L580-V612 CarbonylContact O-C 3.46Å; L580-V612 WeakPolarHBondContact O-CA 3.46Å; L580-L613 PolarHBondContact O-N 3.05Å
581	I	95.4	Very high	88.5	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.1	176.7	-54.1	166.4	0	0	0	108.1	A464 L467 Q468 V497 A498 A499 V500 L579 L613	A464-I581 HydrophobicContact CB-CG2 3.74Å; L467-I581 HydrophobicContact CB-CD1 3.64Å; L467-I581 HydrophobicContact CD1-CD1 4.12Å; Q468-I581 HydrophobicContact CG-CD1 4.04Å; V497-I581 HydrophobicContact CG1-CD1 3.95Å; A498-I581 PolarHBondContact O-N 2.8Å; A499-I581 CarbonylContact C-O 3.4Å; A499-I581 VanDerWaalsContact CA-O 3.27Å; A499-I581 WeakPolarHBondContact CA-O 3.32Å; A499-I581 HydrophobicContact CB-CB 3.97Å; A499-I581 HydrophobicContact CB-CD1 4.43Å; V500-I581 PolarHBondContact N-O 2.98Å; L579-I581 HydrophobicContact CG-CG1 4.41Å; I581-L613 WeakPolarHBondContact CA-O 3.16Å; I581-L613 HydrophobicContact CG1-CB 4.41Å; I581-L613 HydrophobicContact CG2-CD2 4.26Å
582	L	93.7	Very high	87.9	Confident	1 Å²	1	30 Å²	30	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	106.4	177.4	-61.7	177.3	0	0	0	107.9	V500 L569 L580 A585 L601 L613 L614 I615	V500-L582 HydrophobicContact CB-CD2 4Å; V500-L582 HydrophobicContact CG2-CD2 3.83Å; L569-L582 HydrophobicContact CD1-CD2 3.82Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CD2-CD1 4.14Å; L580-L582 HydrophobicContact CD2-CD2 4.09Å; L580-L582 HydrophobicContact CD2-CG 4.11Å; L580-L582 HydrophobicContact CG-CD2 4.07Å; L580-L582 HydrophobicContact CG-CG 4.09Å; L582-A585 HydrophobicContact CB-CB 4.26Å; L582-A585 HydrophobicContact CD2-CB 4.16Å; L582-L601 HydrophobicContact CD1-CD1 3.66Å; L582-L601 HydrophobicContact CD1-CD2 4.19Å; L582-L613 PolarHBondContact N-O 3.04Å; L582-L614 HydrophobicContact CB-CD1 3.77Å; L582-L614 HydrophobicContact CD1-CD1 4.15Å; L582-I615 PolarHBondContact O-N 3.37Å
583	D	92.3	Very high	87.3	Confident	17 Å²	17	30.7 Å²	30.7	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	92	177.1	-164.8	7.2	0	0	0	110.4	S461 V500 G501 Q502 A585 I615	S461-D583 VanDerWaalsContact CB-OD2 3.27Å; S461-D583 WeakPolarHBondContact CB-OD2 3.45Å; S461-D583 PolarHBondContact OG-OD2 3.39Å; V500-D583 PolarHBondContact O-N 3.45Å; G501-D583 CarbonylContact C-O 3.45Å; G501-D583 VanDerWaalsContact C-O 3.32Å; Q502-D583 WeakPolarHBondContact CA-O 3.33Å; Q502-D583 PolarHBondContact N-O 2.95Å; D583-A585 PolarHBondContact O-N 2.71Å; D583-I615 HydrophobicContact CB-CD1 4.1Å; D583-I615 WeakPolarHBondContact OD1-CB 3.4Å; D583-I615 WeakPolarHBondContact OD1-CG2 3.45Å
584	D	85.2	Confident	86.9	Confident	15 Å²	15	32.8 Å²	32.8	8%	0.08	19%	0.188	C	C	.	.	S	Bend	trans	50.9	26.6	-175.9	-155.7	45.6	0	0	0	114	Q502 Q565 T586 S587 I615	Q502-D584 HydrophobicContact CB-CB 4.46Å; Q502-D584 HydrophobicContact CG-CB 4.16Å; Q565-D584 PolarHBondContact NE2-O 3.12Å; D584-T586 PolarHBondContact O-N 3Å; D584-S587 VanDerWaalsContact CG-OG 3.29Å; D584-S587 PolarHBondContact O-N 3.22Å; D584-S587 PolarHBondContact O-OG 2.99Å; D584-S587 WeakPolarHBondContact OD1-CB 3.23Å; D584-S587 VanDerWaalsContact OD2-CB 3.24Å; D584-S587 WeakPolarHBondContact OD2-CB 3.08Å; D584-S587 PolarHBondContact OD2-OG 3.42Å; D584-I615 WeakPolarHBondContact CA-O 3.32Å; D584-I615 PolarHBondContact N-O 3.41Å
585	A	79.8	Confident	86.5	Confident	2 Å²	2	36 Å²	36	2%	0.017	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-2.3	-170.6	0	0	0	0	0	114.8	V500 Q565 L582 D583	V500-A585 HydrophobicContact CB-CB 3.69Å; V500-A585 HydrophobicContact CG1-CB 3.47Å; V500-A585 VanDerWaalsContact CG1-CB 3.47Å; Q565-A585 PolarHBondContact OE1-O 3.11Å; L582-A585 HydrophobicContact CB-CB 4.26Å; L582-A585 HydrophobicContact CD2-CB 4.16Å; D583-A585 PolarHBondContact O-N 2.71Å
586	T	80	Confident	86.2	Confident	5 Å²	5	38 Å²	38	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-3.4	-179.9	57.2	0	0	0	0	112.9	D584 A588 L589 Q594 V597 L621	D584-T586 PolarHBondContact O-N 3Å; T586-A588 PolarHBondContact O-N 3.06Å; T586-L589 HydrophobicContact CG2-CD1 4.14Å; T586-L589 PolarHBondContact O-N 2.69Å; T586-Q594 WeakPolarHBondContact O-CG 3.5Å; T586-Q594 PolarHBondContact O-NE2 3.37Å; T586-V597 HydrophobicContact CG2-CB 4.38Å; T586-V597 HydrophobicContact CG2-CG1 3.84Å; T586-L621 WeakPolarHBondContact OG1-CD1 2.98Å
587	S	79.3	Confident	86	Confident	44 Å²	44	32.4 Å²	32.4	31%	0.308	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.6	-171.7	59.8	0	0	0	0	113.8	D584	D584-S587 VanDerWaalsContact CG-OG 3.29Å; D584-S587 PolarHBondContact O-N 3.22Å; D584-S587 PolarHBondContact O-OG 2.99Å; D584-S587 WeakPolarHBondContact OD1-CB 3.23Å; D584-S587 VanDerWaalsContact OD2-CB 3.24Å; D584-S587 WeakPolarHBondContact OD2-CB 3.08Å; D584-S587 PolarHBondContact OD2-OG 3.42Å
588	A	78.9	Confident	85.7	Confident	49 Å²	49	33.6 Å²	33.6	41%	0.405	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.5	179.5	0	0	0	0	0	113.6	G562 T586	G562-A588 WeakPolarHBondContact CA-O 3.44Å; G562-A588 PolarHBondContact N-O 3.46Å; T586-A588 PolarHBondContact O-N 3.06Å
589	L	80.9	Confident	85.3	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	20%	0.202	C	C	.	.	S	Bend	trans	-74.3	146.4	173.4	-65.9	177.1	0	0	0	110.6	G562 Q565 A566 T586 N593 Q594 V597	G562-L589 VanDerWaalsContact O-CD2 3.23Å; G562-L589 WeakPolarHBondContact O-CD2 3.37Å; Q565-L589 HydrophobicContact CB-CD2 4.23Å; Q565-L589 HydrophobicContact CB-CG 4.49Å; A566-L589 HydrophobicContact CB-CD2 3.94Å; T586-L589 HydrophobicContact CG2-CD1 4.14Å; T586-L589 PolarHBondContact O-N 2.69Å; L589-N593 HydrophobicContact CB-CB 4.33Å; L589-N593 HydrophobicContact CD2-CB 4.47Å; L589-Q594 HydrophobicContact CB-CG 3.73Å; L589-Q594 PolarHBondContact O-NE2 3.43Å; L589-V597 HydrophobicContact CD1-CG2 4.05Å
590	D	83.1	Confident	84.9	Confident	88 Å²	88	36.4 Å²	36.4	47%	0.471	21%	0.205	S	C	.	.			trans	-65.2	157.1	169.1	61	-70.6	0	0	0	111.4	G592 N593 Q594	D590-G592 PolarHBondContact O-N 3.19Å; D590-G592 VanDerWaalsContact O-N 3.14Å; D590-G592 PolarHBondContact OD2-N 2.95Å; D590-N593 PolarHBondContact O-N 3.34Å; D590-N593 VanDerWaalsContact O-N 3.11Å; D590-N593 VanDerWaalsContact OD1-CB 3.31Å; D590-N593 WeakPolarHBondContact OD1-CB 3.41Å; D590-N593 VanDerWaalsContact OD1-CG 3.26Å; D590-N593 PolarHBondContact OD1-ND2 3.02Å; D590-N593 PolarHBondContact OD2-N 3.44Å; D590-N593 VanDerWaalsContact OD2-N 3.11Å; D590-Q594 WeakPolarHBondContact O-CG 3.17Å; D590-Q594 PolarHBondContact O-N 2.98Å
591	A	81.6	Confident	84.5	Confident	77 Å²	77	37 Å²	37	64%	0.636	21%	0.208	S	C	*	.	H	α-helix	trans	-57	-33.6	-175.2	0	0	0	0	0	113.4	L595	A591-L595 WeakPolarHBondContact O-CB 3.41Å; A591-L595 PolarHBondContact O-N 2.99Å; A591-L595 VanDerWaalsContact O-N 3.1Å
592	G	80.8	Confident	84	Confident	40 Å²	40	39 Å²	39	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-48.7	177.1	0	0	0	0	0	111.9	D590 L595 R596	D590-G592 PolarHBondContact O-N 3.19Å; D590-G592 VanDerWaalsContact O-N 3.14Å; D590-G592 PolarHBondContact OD2-N 2.95Å; G592-L595 PolarHBondContact O-N 3.46Å; G592-R596 PolarHBondContact O-N 3.39Å
593	N	82.1	Confident	83.5	Confident	18 Å²	18	44.4 Å²	44.4	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-37.2	176.8	-74.1	-27.6	0	0	0	113	G536 L589 D590 L595 R596 V597	G536-N593 VanDerWaalsContact CA-OD1 3.25Å; G536-N593 WeakPolarHBondContact CA-OD1 3.49Å; G536-N593 PolarHBondContact O-ND2 3.42Å; L589-N593 HydrophobicContact CB-CB 4.33Å; L589-N593 HydrophobicContact CD2-CB 4.47Å; D590-N593 PolarHBondContact O-N 3.34Å; D590-N593 VanDerWaalsContact O-N 3.11Å; D590-N593 VanDerWaalsContact OD1-CB 3.31Å; D590-N593 WeakPolarHBondContact OD1-CB 3.41Å; D590-N593 VanDerWaalsContact OD1-CG 3.26Å; D590-N593 PolarHBondContact OD1-ND2 3.02Å; D590-N593 PolarHBondContact OD2-N 3.44Å; D590-N593 VanDerWaalsContact OD2-N 3.11Å; N593-L595 VanDerWaalsContact C-N 3.3Å; N593-L595 PolarHBondContact O-N 3.43Å; N593-R596 WeakPolarHBondContact O-CB 3.35Å; N593-R596 PolarHBondContact O-N 3.03Å; N593-R596 VanDerWaalsContact O-N 3.16Å; N593-V597 WeakPolarHBondContact O-CG2 3.41Å; N593-V597 PolarHBondContact O-N 2.98Å
594	Q	83.1	Confident	83	Confident	47 Å²	47	45 Å²	45	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-44.8	172.4	-74	177.6	-14.8	0	0	111.7	T586 L589 D590 R596 V597 Q598	T586-Q594 WeakPolarHBondContact O-CG 3.5Å; T586-Q594 PolarHBondContact O-NE2 3.37Å; L589-Q594 HydrophobicContact CB-CG 3.73Å; L589-Q594 PolarHBondContact O-NE2 3.43Å; D590-Q594 WeakPolarHBondContact O-CG 3.17Å; D590-Q594 PolarHBondContact O-N 2.98Å; Q594-R596 VanDerWaalsContact C-N 3.34Å; Q594-R596 PolarHBondContact O-N 3Å; Q594-V597 PolarHBondContact O-N 3.03Å; Q594-Q598 WeakPolarHBondContact O-CB 3.31Å; Q594-Q598 PolarHBondContact O-N 2.86Å
595	L	84.5	Confident	82.6	Confident	75 Å²	75	49.6 Å²	49.6	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-40.5	177.4	-164	94.8	0	0	0	111.7	A591 G592 N593 Q598 R599	A591-L595 WeakPolarHBondContact O-CB 3.41Å; A591-L595 PolarHBondContact O-N 2.99Å; A591-L595 VanDerWaalsContact O-N 3.1Å; G592-L595 PolarHBondContact O-N 3.46Å; N593-L595 VanDerWaalsContact C-N 3.3Å; N593-L595 PolarHBondContact O-N 3.43Å; L595-Q598 PolarHBondContact O-N 2.86Å; L595-R599 VanDerWaalsContact CD2-CZ 3.47Å; L595-R599 WeakPolarHBondContact O-CG 3.48Å; L595-R599 PolarHBondContact O-N 2.96Å
596	R	84.8	Confident	82.4	Confident	102 Å²	102	54 Å²	54	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-48.1	176	-70.5	-179.6	-176.1	-138.3	15.1	111.6	D539 G592 N593 Q594 Q598 R599 L600	D539-R596 IonicContact OD2-CZ 3.71Å; D539-R596 IonicContact OD2-NH2 3.77Å; D539-R596 PolarHBondContact OD2-NH2 3.46Å; D539-R596 VanDerWaalsContact OD2-NH2 3.15Å; G592-R596 PolarHBondContact O-N 3.39Å; N593-R596 WeakPolarHBondContact O-CB 3.35Å; N593-R596 PolarHBondContact O-N 3.03Å; N593-R596 VanDerWaalsContact O-N 3.16Å; Q594-R596 VanDerWaalsContact C-N 3.34Å; Q594-R596 PolarHBondContact O-N 3Å; R596-Q598 VanDerWaalsContact C-N 3.3Å; R596-Q598 PolarHBondContact O-N 2.97Å; R596-R599 PolarHBondContact O-N 3.42Å; R596-L600 PolarHBondContact O-N 3.47Å
597	V	85.6	Confident	82.4	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-40.7	177.4	178.2	0	0	0	0	110.8	L569 T586 L589 N593 Q594 L600 L601	L569-V597 HydrophobicContact CD2-CB 4.35Å; L569-V597 HydrophobicContact CD2-CG1 3.98Å; L569-V597 HydrophobicContact CD2-CG2 3.38Å; T586-V597 HydrophobicContact CG2-CB 4.38Å; T586-V597 HydrophobicContact CG2-CG1 3.84Å; L589-V597 HydrophobicContact CD1-CG2 4.05Å; N593-V597 WeakPolarHBondContact O-CG2 3.41Å; N593-V597 PolarHBondContact O-N 2.98Å; Q594-V597 PolarHBondContact O-N 3.03Å; V597-L600 WeakPolarHBondContact O-CB 3.4Å; V597-L600 PolarHBondContact O-N 3.22Å; V597-L601 HydrophobicContact CG1-CD1 4.07Å; V597-L601 HydrophobicContact CG1-CG 4.37Å; V597-L601 WeakPolarHBondContact O-CG 3.29Å; V597-L601 PolarHBondContact O-N 2.85Å
598	Q	85.4	Confident	82.2	Confident	24 Å²	24	55.4 Å²	55.4	11%	0.112	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-46.4	176.8	-167.1	-178	39.6	0	0	111.9	Q594 L595 R596 L600 L601 Y602 L621 R624	Q594-Q598 WeakPolarHBondContact O-CB 3.31Å; Q594-Q598 PolarHBondContact O-N 2.86Å; L595-Q598 PolarHBondContact O-N 2.86Å; R596-Q598 VanDerWaalsContact C-N 3.3Å; R596-Q598 PolarHBondContact O-N 2.97Å; Q598-L600 VanDerWaalsContact C-N 3.3Å; Q598-L600 PolarHBondContact O-N 3.23Å; Q598-L601 PolarHBondContact O-N 3.41Å; Q598-Y602 HydrophobicContact CG-CD2 3.85Å; Q598-Y602 HydrophobicContact CG-CE2 4.14Å; Q598-Y602 VanDerWaalsContact O-CD2 3.3Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.34Å; Q598-Y602 PolarHBondContact O-N 2.73Å; Q598-L621 HydrophobicContact CB-CD2 4.34Å; Q598-L621 HydrophobicContact CG-CD2 4.05Å; Q598-R624 VanDerWaalsContact NE2-NH1 3.19Å; Q598-R624 VanDerWaalsContact OE1-NH1 3.13Å
599	R	86.4	Confident	82.3	Confident	133 Å²	133	56 Å²	56	50%	0.502	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-40.2	174.5	-69.4	-177.6	177.2	158	-1.5	111.6	L595 R596 L601 E603 S604	L595-R599 VanDerWaalsContact CD2-CZ 3.47Å; L595-R599 WeakPolarHBondContact O-CG 3.48Å; L595-R599 PolarHBondContact O-N 2.96Å; R596-R599 PolarHBondContact O-N 3.42Å; R599-L601 PolarHBondContact O-N 3.14Å; R599-E603 WeakPolarHBondContact CG-OE2 3.33Å; R599-E603 WeakPolarHBondContact O-CA 3.48Å; R599-E603 VanDerWaalsContact O-CB 3.27Å; R599-E603 WeakPolarHBondContact O-CB 3.31Å; R599-E603 PolarHBondContact O-N 3.42Å; R599-S604 PolarHBondContact O-N 3.4Å
600	L	85.6	Confident	82.7	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-45.6	175.8	-176.2	69	0	0	0	112	E534 L573 R596 V597 Q598 S604	E534-L600 HydrophobicContact CB-CD1 4.5Å; E534-L600 HydrophobicContact CB-CD2 4.33Å; E534-L600 HydrophobicContact CG-CD1 4.37Å; L573-L600 HydrophobicContact CD1-CD2 3.63Å; L573-L600 HydrophobicContact CD2-CD2 3.77Å; L573-L600 HydrophobicContact CG-CD2 4.38Å; R596-L600 PolarHBondContact O-N 3.47Å; V597-L600 WeakPolarHBondContact O-CB 3.4Å; V597-L600 PolarHBondContact O-N 3.22Å; Q598-L600 VanDerWaalsContact C-N 3.3Å; Q598-L600 PolarHBondContact O-N 3.23Å; L600-S604 WeakPolarHBondContact O-CB 3.41Å
601	L	85.7	Confident	83.3	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-74	-33.9	-176.2	-65.8	175.6	0	0	0	113.8	L580 L582 V597 Q598 R599 W607 V612	L580-L601 HydrophobicContact CD2-CD2 3.89Å; L582-L601 HydrophobicContact CD1-CD1 3.66Å; L582-L601 HydrophobicContact CD1-CD2 4.19Å; V597-L601 HydrophobicContact CG1-CD1 4.07Å; V597-L601 HydrophobicContact CG1-CG 4.37Å; V597-L601 WeakPolarHBondContact O-CG 3.29Å; V597-L601 PolarHBondContact O-N 2.85Å; Q598-L601 PolarHBondContact O-N 3.41Å; R599-L601 PolarHBondContact O-N 3.14Å; L601-W607 HydrophobicContact CD2-CE3 4.49Å; L601-V612 HydrophobicContact CD2-CG1 4.15Å; L601-V612 HydrophobicContact CD2-CG2 4.27Å
602	Y	85.1	Confident	83.9	Confident	44 Å²	44	48.8 Å²	48.8	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-107.9	-27.4	-171.4	-69.1	-76.2	0	0	0	114.6	V449 Q598 L621 R624 A625 H626	V449-Y602 HydrophobicContact CB-CE1 3.84Å; V449-Y602 HydrophobicContact CG1-CE1 4.13Å; V449-Y602 HydrophobicContact CG2-CD1 4.13Å; V449-Y602 HydrophobicContact CG2-CE1 3.78Å; Q598-Y602 HydrophobicContact CG-CD2 3.85Å; Q598-Y602 HydrophobicContact CG-CE2 4.14Å; Q598-Y602 VanDerWaalsContact O-CD2 3.3Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.34Å; Q598-Y602 PolarHBondContact O-N 2.73Å; Y602-L621 PolarHBondContact OH-O 3.28Å; Y602-R624 HydrophobicContact CE1-CB 4.19Å; Y602-R624 WeakPolarHBondContact CE1-O 3.36Å; Y602-R624 HydrophobicContact CE2-CB 4.18Å; Y602-A625 WeakPolarHBondContact OH-CA 3.34Å; Y602-A625 PolarHBondContact OH-N 3.08Å; Y602-H626 AromaticContact CD1-CE1 3.92Å
603	E	83.4	Confident	84.6	Confident	113 Å²	113	46.9 Å²	46.9	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-112.3	-18.2	-171.6	-59	169.5	-162.2	0	0	112.6	R599 R624	R599-E603 WeakPolarHBondContact CG-OE2 3.33Å; R599-E603 WeakPolarHBondContact O-CA 3.48Å; R599-E603 VanDerWaalsContact O-CB 3.27Å; R599-E603 WeakPolarHBondContact O-CB 3.31Å; R599-E603 PolarHBondContact O-N 3.42Å; E603-R624 IonicContact OE1-NH2 3.49Å; E603-R624 PolarHBondContact OE1-NH2 2.65Å
604	S	81.9	Confident	85.2	Confident	29 Å²	29	46 Å²	46	20%	0.203	24%	0.237	C	C	.	.			trans	-75.1	126.8	-178.1	-175	0	0	0	0	112.6	R599 L600 E606 W607 A608	R599-S604 PolarHBondContact O-N 3.4Å; L600-S604 WeakPolarHBondContact O-CB 3.41Å; S604-E606 PolarHBondContact O-N 3.02Å; S604-W607 PolarHBondContact O-N 3.47Å; S604-W607 VanDerWaalsContact O-N 3.11Å; S604-A608 PolarHBondContact O-N 3.48Å
605	P	76.7	Confident	85.7	Confident	113 Å²	113	44 Å²	44	73%	0.734	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.8	176.5	-21.7	31.3	0	0	0	113.3	W607 A608	P605-W607 PolarHBondContact O-N 3.04Å; P605-A608 WeakPolarHBondContact O-CB 3.43Å; P605-A608 PolarHBondContact O-N 3.42Å
606	E	76.2	Confident	85.8	Confident	95 Å²	95	40.5 Å²	40.5	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.2	-179.5	-62.2	-160.7	175.1	0	0	113	S604 R610	S604-E606 PolarHBondContact O-N 3.02Å; E606-R610 PolarHBondContact O-NE 3.14Å; E606-R610 IonicContact OE2-NH2 3.6Å
607	W	78.5	Confident	85.6	Confident	8 Å²	8	40.5 Å²	40.5	3%	0.03	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-14	-177.7	-70.9	87.8	0	0	0	112.8	L573 P577 L580 L601 S604 P605 S609 R610 V612	L573-W607 HydrophobicContact CD2-CH2 3.7Å; L573-W607 HydrophobicContact CD2-CZ2 3.21Å; P577-W607 HydrophobicContact CG-CH2 4.17Å; L580-W607 HydrophobicContact CB-CH2 4.17Å; L580-W607 HydrophobicContact CB-CZ3 3.67Å; L580-W607 HydrophobicContact CD2-CE3 4.32Å; L580-W607 HydrophobicContact CD2-CH2 3.6Å; L580-W607 HydrophobicContact CD2-CZ3 3.45Å; L580-W607 VanDerWaalsContact CD2-CZ3 3.45Å; L580-W607 HydrophobicContact CG-CH2 4.33Å; L580-W607 HydrophobicContact CG-CZ3 4.14Å; L601-W607 HydrophobicContact CD2-CE3 4.49Å; S604-W607 PolarHBondContact O-N 3.47Å; S604-W607 VanDerWaalsContact O-N 3.11Å; P605-W607 PolarHBondContact O-N 3.04Å; W607-S609 PolarHBondContact O-N 3.05Å; W607-R610 HydrophobicContact CE3-CB 4.02Å; W607-R610 VanDerWaalsContact CE3-CD 3.48Å; W607-R610 HydrophobicContact CE3-CG 4.36Å; W607-R610 HydrophobicContact CZ3-CB 4.37Å; W607-R610 PolarHBondContact O-N 3.34Å; W607-V612 HydrophobicContact CE3-CG2 4.15Å; W607-V612 HydrophobicContact CZ3-CG2 4.46Å
608	A	76.1	Confident	85.3	Confident	70 Å²	70	42.4 Å²	42.4	58%	0.579	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.5	177.7	0	0	0	0	0	114.4	G447 S604 P605	G447-A608 WeakPolarHBondContact CA-O 3.35Å; S604-A608 PolarHBondContact O-N 3.48Å; P605-A608 WeakPolarHBondContact O-CB 3.43Å; P605-A608 PolarHBondContact O-N 3.42Å
609	S	79.9	Confident	85	Confident	61 Å²	61	43.4 Å²	43.4	43%	0.427	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.2	177	65.8	0	0	0	0	114.3	W607	W607-S609 PolarHBondContact O-N 3.05Å
610	R	90.9	Very high	84.8	Confident	21 Å²	21	40.3 Å²	40.3	8%	0.079	23%	0.227	C	C	.	.	S	Bend	trans	-104.4	150	-173.3	-59.8	177.2	-170.7	-169.1	9.1	110.8	G447 P577 E606 W607	G447-R610 VanDerWaalsContact CA-O 3.26Å; G447-R610 WeakPolarHBondContact CA-O 3.28Å; G447-R610 PolarHBondContact N-O 3.45Å; P577-R610 VanDerWaalsContact O-CD 3.3Å; P577-R610 WeakPolarHBondContact O-CD 3.48Å; E606-R610 PolarHBondContact O-NE 3.14Å; E606-R610 IonicContact OE2-NH2 3.6Å; W607-R610 HydrophobicContact CE3-CB 4.02Å; W607-R610 VanDerWaalsContact CE3-CD 3.48Å; W607-R610 HydrophobicContact CE3-CG 4.36Å; W607-R610 HydrophobicContact CZ3-CB 4.37Å; W607-R610 PolarHBondContact O-N 3.34Å
611	T	94.7	Very high	84.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.1	174.7	-55.4	0	0	0	0	108.7	G417 L444 P446 R578 L579 L580	G417-T611 WeakPolarHBondContact O-CB 3.49Å; G417-T611 PolarHBondContact O-OG1 3.47Å; L444-T611 HydrophobicContact CB-CG2 3.64Å; L444-T611 HydrophobicContact CD1-CG2 4.47Å; P446-T611 VanDerWaalsContact CA-OG1 3.29Å; P446-T611 WeakPolarHBondContact CA-OG1 3.44Å; R578-T611 PolarHBondContact O-N 2.97Å; L579-T611 WeakPolarHBondContact CA-O 3.46Å; L579-T611 HydrophobicContact CD1-CG2 3.51Å; L580-T611 PolarHBondContact N-O 3.14Å
612	V	94.6	Very high	84.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.9	177.7	-177	0	0	0	0	109.6	K448 V449 T450 L580 L601 W607	K448-V612 PolarHBondContact O-N 3.34Å; V449-V612 HydrophobicContact CB-CB 4.41Å; V449-V612 HydrophobicContact CG1-CB 4.25Å; V449-V612 HydrophobicContact CG1-CG1 4.15Å; V449-V612 HydrophobicContact CG2-CB 4.13Å; V449-V612 HydrophobicContact CG2-CG2 4.4Å; T450-V612 PolarHBondContact N-O 3.34Å; L580-V612 HydrophobicContact CB-CG2 4.47Å; L580-V612 CarbonylContact O-C 3.46Å; L580-V612 WeakPolarHBondContact O-CA 3.46Å; L601-V612 HydrophobicContact CD2-CG1 4.15Å; L601-V612 HydrophobicContact CD2-CG2 4.27Å; W607-V612 HydrophobicContact CE3-CG2 4.15Å; W607-V612 HydrophobicContact CZ3-CG2 4.46Å
613	L	95.7	Very high	84.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.5	167.2	178.9	65.3	0	0	0	108.6	L444 L452 V463 L467 L580 I581 L582	L444-L613 HydrophobicContact CD1-CB 4.18Å; L444-L613 HydrophobicContact CD1-CD1 4.43Å; L444-L613 HydrophobicContact CD1-CD2 4.47Å; L444-L613 HydrophobicContact CD2-CD1 4.14Å; L452-L613 HydrophobicContact CB-CD1 4.05Å; V463-L613 HydrophobicContact CG1-CD2 4.27Å; L467-L613 HydrophobicContact CD1-CD2 3.37Å; L580-L613 PolarHBondContact O-N 3.05Å; I581-L613 WeakPolarHBondContact CA-O 3.16Å; I581-L613 HydrophobicContact CG1-CB 4.41Å; I581-L613 HydrophobicContact CG2-CD2 4.26Å; L582-L613 PolarHBondContact N-O 3.04Å
614	L	94.3	Very high	84.9	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.9	178.6	178.8	65.4	0	0	0	109.5	V449 T450 A451 L452 L582 T616 L621	V449-L614 HydrophobicContact CG1-CB 4.38Å; T450-L614 PolarHBondContact O-N 3.37Å; A451-L614 CarbonylContact C-O 3.55Å; A451-L614 WeakPolarHBondContact CA-O 3.28Å; L452-L614 PolarHBondContact N-O 3.18Å; L582-L614 HydrophobicContact CB-CD1 3.77Å; L582-L614 HydrophobicContact CD1-CD1 4.15Å; L614-T616 HydrophobicContact CD2-CG2 4.06Å; L614-T616 HydrophobicContact CG-CG2 4.03Å; L614-L621 HydrophobicContact CD2-CB 3.97Å
615	I	93.7	Very high	85.3	Confident	3 Å²	3	40 Å²	40	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.9	167.1	-57.5	160.3	0	0	0	106.4	L452 K460 A464 L582 D583 D584	L452-I615 HydrophobicContact CB-CG1 4.04Å; L452-I615 HydrophobicContact CD2-CD1 4.48Å; L452-I615 HydrophobicContact CD2-CG1 4.06Å; L452-I615 HydrophobicContact CG-CG1 4.47Å; L452-I615 WeakPolarHBondContact O-CA 3.4Å; K460-I615 HydrophobicContact CB-CD1 4.3Å; K460-I615 HydrophobicContact CB-CG1 4.4Å; K460-I615 HydrophobicContact CB-CG2 3.7Å; K460-I615 HydrophobicContact CD-CG2 3.87Å; K460-I615 HydrophobicContact CG-CG2 4.36Å; K460-I615 WeakPolarHBondContact O-CD1 3.27Å; A464-I615 HydrophobicContact CB-CD1 3.86Å; L582-I615 PolarHBondContact O-N 3.37Å; D583-I615 HydrophobicContact CB-CD1 4.1Å; D583-I615 WeakPolarHBondContact OD1-CB 3.4Å; D583-I615 WeakPolarHBondContact OD1-CG2 3.45Å; D584-I615 WeakPolarHBondContact CA-O 3.32Å; D584-I615 PolarHBondContact N-O 3.41Å
616	T	86.9	Confident	86.1	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	21%	0.206	C	C	.	.			trans	-148.1	148.2	-176.8	-171.8	0	0	0	0	111.2	L614 Q618 L621 A622	L614-T616 HydrophobicContact CD2-CG2 4.06Å; L614-T616 HydrophobicContact CG-CG2 4.03Å; T616-Q618 WeakPolarHBondContact OG1-CB 3.37Å; T616-Q618 PolarHBondContact OG1-N 2.9Å; T616-L621 HydrophobicContact CG2-CB 4.23Å; T616-A622 HydrophobicContact CG2-CB 4.06Å
617	Q	80.9	Confident	86.9	Confident	102 Å²	102	36.5 Å²	36.5	48%	0.477	19%	0.194	S	C	.	.	S	Bend	trans	-96.9	-8.6	166.1	-54.5	-168.3	8.4	0	0	111.7	N456 L619	N456-Q617 PolarHBondContact OD1-NE2 3.33Å; Q617-L619 PolarHBondContact O-N 3.05Å
618	Q	79.1	Confident	87.7	Confident	42 Å²	42	36.1 Å²	36.1	20%	0.196	19%	0.193	C	C	.	.			trans	-80.9	115.1	-179	-63.4	-177.9	-31.7	0	0	110.2	T616 S620 L621 A622	T616-Q618 WeakPolarHBondContact OG1-CB 3.37Å; T616-Q618 PolarHBondContact OG1-N 2.9Å; Q618-S620 VanDerWaalsContact C-N 3.34Å; Q618-S620 PolarHBondContact O-N 3.33Å; Q618-L621 HydrophobicContact CB-CB 4.5Å; Q618-L621 HydrophobicContact CB-CD1 4.33Å; Q618-L621 HydrophobicContact CB-CG 4.43Å; Q618-L621 PolarHBondContact O-N 3.38Å; Q618-A622 PolarHBondContact O-N 2.65Å
619	L	79.4	Confident	88.6	Confident	44 Å²	44	32.8 Å²	32.8	23%	0.23	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-44.7	-178.1	-175.7	65.4	0	0	0	112.3	Q617 L621 A622 E623 V656	Q617-L619 PolarHBondContact O-N 3.05Å; L619-L621 PolarHBondContact O-N 2.92Å; L619-L621 VanDerWaalsContact O-N 3.15Å; L619-A622 PolarHBondContact O-N 3.12Å; L619-E623 HydrophobicContact CD1-CG 4.12Å; L619-E623 WeakPolarHBondContact CD2-OE1 3.35Å; L619-E623 HydrophobicContact CG-CG 4.02Å; L619-E623 VanDerWaalsContact CG-OE1 3.29Å; L619-E623 WeakPolarHBondContact CG-OE1 3.48Å; L619-E623 WeakPolarHBondContact O-CB 3.49Å; L619-E623 VanDerWaalsContact O-CG 3.29Å; L619-E623 WeakPolarHBondContact O-CG 3.32Å; L619-E623 PolarHBondContact O-N 3.31Å; L619-V656 HydrophobicContact CD1-CB 4.32Å; L619-V656 HydrophobicContact CD1-CG1 4.04Å; L619-V656 HydrophobicContact CD1-CG2 3.57Å; L619-V656 HydrophobicContact CD2-CG1 3.82Å
620	S	81.1	Confident	89.3	Confident	68 Å²	68	30.4 Å²	30.4	48%	0.476	15%	0.147	S	C	.	.	H	α-helix	trans	-58.8	-29.8	-178	56.6	0	0	0	0	114.2	Q618	Q618-S620 VanDerWaalsContact C-N 3.34Å; Q618-S620 PolarHBondContact O-N 3.33Å
621	L	81.9	Confident	89.3	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-84.1	-37	175.9	-69.6	180	0	0	0	112.2	T586 Q598 Y602 L614 T616 Q618 L619	T586-L621 WeakPolarHBondContact OG1-CD1 2.98Å; Q598-L621 HydrophobicContact CB-CD2 4.34Å; Q598-L621 HydrophobicContact CG-CD2 4.05Å; Y602-L621 PolarHBondContact OH-O 3.28Å; L614-L621 HydrophobicContact CD2-CB 3.97Å; T616-L621 HydrophobicContact CG2-CB 4.23Å; Q618-L621 HydrophobicContact CB-CB 4.5Å; Q618-L621 HydrophobicContact CB-CD1 4.33Å; Q618-L621 HydrophobicContact CB-CG 4.43Å; Q618-L621 PolarHBondContact O-N 3.38Å; L619-L621 PolarHBondContact O-N 2.92Å; L619-L621 VanDerWaalsContact O-N 3.15Å
622	A	85.6	Confident	89.2	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-38.6	176.2	0	0	0	0	0	112	A451 V453 T616 Q618 L619 R624 A625 I628	A451-A622 HydrophobicContact CB-CB 4.32Å; V453-A622 HydrophobicContact CG1-CB 3.92Å; T616-A622 HydrophobicContact CG2-CB 4.06Å; Q618-A622 PolarHBondContact O-N 2.65Å; L619-A622 PolarHBondContact O-N 3.12Å; A622-R624 VanDerWaalsContact C-N 3.32Å; A622-R624 PolarHBondContact O-N 3.47Å; A622-A625 VanDerWaalsContact O-CB 3.25Å; A622-A625 WeakPolarHBondContact O-CB 3.45Å; A622-A625 PolarHBondContact O-N 3.4Å; A622-A625 VanDerWaalsContact O-N 3.12Å; A622-I628 VanDerWaalsContact O-CD1 3.27Å; A622-I628 WeakPolarHBondContact O-CD1 3.41Å
623	E	87.4	Confident	88.8	Confident	81 Å²	81	40 Å²	40	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-59	-38.7	179.8	-79.4	178.1	174.6	0	0	113.4	L619 A625 H642	L619-E623 HydrophobicContact CD1-CG 4.12Å; L619-E623 WeakPolarHBondContact CD2-OE1 3.35Å; L619-E623 HydrophobicContact CG-CG 4.02Å; L619-E623 VanDerWaalsContact CG-OE1 3.29Å; L619-E623 WeakPolarHBondContact CG-OE1 3.48Å; L619-E623 WeakPolarHBondContact O-CB 3.49Å; L619-E623 VanDerWaalsContact O-CG 3.29Å; L619-E623 WeakPolarHBondContact O-CG 3.32Å; L619-E623 PolarHBondContact O-N 3.31Å; E623-A625 VanDerWaalsContact C-N 3.29Å; E623-A625 PolarHBondContact O-N 2.88Å; E623-H642 IonicContact OE1-CE1 3.84Å
624	R	87.8	Confident	88.4	Confident	107 Å²	107	40 Å²	40	40%	0.404	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.2	179.6	-68.4	-177.8	76.9	174.2	-1.9	113.6	Q598 Y602 E603 A622	Q598-R624 VanDerWaalsContact NE2-NH1 3.19Å; Q598-R624 VanDerWaalsContact OE1-NH1 3.13Å; Y602-R624 HydrophobicContact CE1-CB 4.19Å; Y602-R624 WeakPolarHBondContact CE1-O 3.36Å; Y602-R624 HydrophobicContact CE2-CB 4.18Å; E603-R624 IonicContact OE1-NH2 3.49Å; E603-R624 PolarHBondContact OE1-NH2 2.65Å; A622-R624 VanDerWaalsContact C-N 3.32Å; A622-R624 PolarHBondContact O-N 3.47Å
625	A	90.6	Very high	88.3	Confident	8 Å²	8	42 Å²	42	7%	0.066	21%	0.206	C	C	.	.			trans	-66.4	143.5	-177.8	0	0	0	0	0	111.4	A451 Y602 A622 E623 H627 I628	A451-A625 HydrophobicContact CB-CB 3.53Å; Y602-A625 WeakPolarHBondContact OH-CA 3.34Å; Y602-A625 PolarHBondContact OH-N 3.08Å; A622-A625 VanDerWaalsContact O-CB 3.25Å; A622-A625 WeakPolarHBondContact O-CB 3.45Å; A622-A625 PolarHBondContact O-N 3.4Å; A622-A625 VanDerWaalsContact O-N 3.12Å; E623-A625 VanDerWaalsContact C-N 3.29Å; E623-A625 PolarHBondContact O-N 2.88Å; A625-H627 PolarHBondContact O-N 3.37Å; A625-I628 HydrophobicContact CB-CG1 4.22Å
626	H	92.8	Very high	88.2	Confident	94 Å²	94	43.7 Å²	43.7	44%	0.435	22%	0.216	S	C	.	.	S	Bend	trans	-69.1	-27.8	178.8	-59.6	86	0	0	0	111.7	K448 V449 Y602	K448-H626 HydrophobicContact CB-CB 4.21Å; K448-H626 HydrophobicContact CD-CB 4.44Å; K448-H626 HydrophobicContact CG-CB 4.41Å; V449-H626 PolarHBondContact N-ND1 3.33Å; V449-H626 PolarHBondContact O-N 2.91Å; Y602-H626 AromaticContact CD1-CE1 3.92Å
627	H	94.1	Very high	88.3	Confident	41 Å²	41	46.4 Å²	46.4	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.3	177.9	-167	51.6	0	0	0	109.5	V449 T450 A451 A625 G640	V449-H627 PolarHBondContact O-N 3.49Å; T450-H627 CarbonylContact C-O 3.5Å; T450-H627 VanDerWaalsContact CA-O 3.24Å; T450-H627 WeakPolarHBondContact CA-O 3.49Å; T450-H627 HydrophobicContact CG2-CB 4.24Å; A451-H627 PolarHBondContact N-O 3.44Å; A625-H627 PolarHBondContact O-N 3.37Å; H627-G640 PolarHBondContact ND1-O 3.37Å
628	I	95	Very high	88.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.7	178.9	-56.8	178.4	0	0	0	108	A451 V453 A622 A625 Q639 G640 H642 L645 Y652	A451-I628 HydrophobicContact CB-CG1 4.35Å; A451-I628 CarbonylContact O-C 3.59Å; A451-I628 WeakPolarHBondContact O-CA 3.37Å; V453-I628 HydrophobicContact CG2-CG2 3.65Å; A622-I628 VanDerWaalsContact O-CD1 3.27Å; A622-I628 WeakPolarHBondContact O-CD1 3.41Å; A625-I628 HydrophobicContact CB-CG1 4.22Å; I628-Q639 VanDerWaalsContact O-CA 3.25Å; I628-Q639 WeakPolarHBondContact O-CA 3.47Å; I628-G640 PolarHBondContact N-O 3.2Å; I628-G640 PolarHBondContact O-N 2.92Å; I628-G640 VanDerWaalsContact O-N 3.15Å; I628-H642 HydrophobicContact CD1-CB 3.89Å; I628-L645 HydrophobicContact CB-CD1 3.74Å; I628-L645 HydrophobicContact CG2-CD1 3.8Å; I628-Y652 HydrophobicContact CD1-CE2 4.15Å; I628-Y652 WeakPolarHBondContact CD1-OH 3.32Å; I628-Y652 HydrophobicContact CG2-CD2 4.13Å; I628-Y652 HydrophobicContact CG2-CE2 3.85Å
629	L	94.5	Very high	89.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118	173.2	-62.8	173.3	0	0	0	108.2	F442 T450 A451 L452 V453 V636 Q639	F442-L629 HydrophobicContact CB-CD1 4.1Å; F442-L629 HydrophobicContact CB-CD2 4.1Å; F442-L629 HydrophobicContact CD1-CD1 4.36Å; F442-L629 HydrophobicContact CD2-CD1 3.46Å; F442-L629 VanDerWaalsContact CD2-CD1 3.46Å; F442-L629 HydrophobicContact CE2-CD1 3.93Å; F442-L629 HydrophobicContact CG-CD1 3.71Å; T450-L629 HydrophobicContact CG2-CD1 3.71Å; T450-L629 HydrophobicContact CG2-CG 3.89Å; A451-L629 PolarHBondContact O-N 2.85Å; L452-L629 WeakPolarHBondContact CA-O 3.42Å; L452-L629 HydrophobicContact CD1-CB 3.68Å; L452-L629 HydrophobicContact CD1-CD1 4.41Å; V453-L629 WeakPolarHBondContact CG2-O 3.38Å; V453-L629 PolarHBondContact N-O 3.35Å; L629-V636 HydrophobicContact CD2-CG1 4.34Å; L629-Q639 HydrophobicContact CD2-CB 3.69Å
630	F	93.4	Very high	90.2	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.044	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.6	173.9	-170.1	-87.3	0	0	0	110.1	V453 K632 C637 E638 C651 Y652 M655	V453-F630 HydrophobicContact CG2-CB 4.35Å; V453-F630 HydrophobicContact CG2-CD2 3.84Å; V453-F630 WeakPolarHBondContact O-CA 3.17Å; F630-K632 HydrophobicContact CE1-CB 4.16Å; F630-C637 HydrophobicContact CD1-CB 4.23Å; F630-C637 PolarHBondContact O-N 3.19Å; F630-E638 HydrophobicContact CB-CB 4.14Å; F630-E638 PolarHBondContact N-O 2.98Å; F630-C651 HydrophobicContact CD1-CB 3.81Å; F630-C651 HydrophobicContact CE1-CB 3.43Å; F630-C651 VanDerWaalsContact CE1-CB 3.43Å; F630-C651 HydrophobicContact CZ-CB 3.87Å; F630-Y652 HydrophobicContact CD2-CD2 4.14Å; F630-M655 HydrophobicContact CD2-SD 4.43Å; F630-M655 HydrophobicContact CE2-CB 3.97Å; F630-M655 HydrophobicContact CE2-CE 4.36Å; F630-M655 HydrophobicContact CE2-CG 4.4Å; F630-M655 HydrophobicContact CE2-SD 3.72Å
631	L	92.9	Very high	90.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	-176.4	-157.8	76.5	0	0	0	110.6	L440 L452 V453 G454 P455 S458 K460 S635 V636	L440-L631 HydrophobicContact CD1-CD1 3.41Å; L440-L631 VanDerWaalsContact CD1-CD1 3.41Å; L452-L631 HydrophobicContact CD1-CB 4.01Å; L452-L631 HydrophobicContact CD1-CD1 4.42Å; L452-L631 HydrophobicContact CD1-CD2 4.48Å; V453-L631 PolarHBondContact O-N 3.06Å; G454-L631 WeakPolarHBondContact CA-O 3.34Å; P455-L631 WeakPolarHBondContact CD-O 3.23Å; S458-L631 WeakPolarHBondContact CB-O 3.26Å; S458-L631 WeakPolarHBondContact O-CD2 3.39Å; K460-L631 HydrophobicContact CG-CD2 4.04Å; L631-S635 WeakPolarHBondContact CA-O 3.48Å; L631-S635 WeakPolarHBondContact CD1-O 3.49Å; L631-V636 HydrophobicContact CD1-CG2 4.21Å
632	K	90.9	Very high	91.2	Very high	84 Å²	84	43.7 Å²	43.7	37%	0.365	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.9	174.6	-169.4	-176.9	173.7	-177.1	0	109.1	F630 G634 S635 C637	F630-K632 HydrophobicContact CE1-CB 4.16Å; K632-G634 PolarHBondContact O-N 3.07Å; K632-S635 PolarHBondContact N-O 3.31Å; K632-S635 PolarHBondContact O-N 2.97Å; K632-S635 PolarHBondContact O-OG 3.16Å; K632-S635 VanDerWaalsContact O-OG 3.14Å; K632-C637 WeakPolarHBondContact CB-SG 3.32Å
633	E	87.6	Confident	91.5	Very high	140 Å²	140	49.4 Å²	49.4	65%	0.654	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.9	176.7	-66.6	166.8	-149.5	0	0	113.5	S635	E633-S635 PolarHBondContact O-N 3.45Å
634	G	86.8	Confident	91.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	5.1	177.4	0	0	0	0	0	116.2	V436 L437 Q438 S458 K632	V436-G634 WeakPolarHBondContact O-CA 3.49Å; L437-G634 WeakPolarHBondContact CA-O 3.39Å; Q438-G634 PolarHBondContact N-O 3.01Å; S458-G634 WeakPolarHBondContact O-CA 3.22Å; S458-G634 PolarHBondContact O-N 2.95Å; K632-G634 PolarHBondContact O-N 3.07Å
635	S	91	Very high	91.8	Very high	43 Å²	43	44.8 Å²	44.8	30%	0.301	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.2	178.5	69.1	0	0	0	0	111.9	L631 K632 E633 C637	L631-S635 WeakPolarHBondContact CA-O 3.48Å; L631-S635 WeakPolarHBondContact CD1-O 3.49Å; K632-S635 PolarHBondContact N-O 3.31Å; K632-S635 PolarHBondContact O-N 2.97Å; K632-S635 PolarHBondContact O-OG 3.16Å; K632-S635 VanDerWaalsContact O-OG 3.14Å; E633-S635 PolarHBondContact O-N 3.45Å; S635-C637 PolarHBondContact O-N 3.38Å
636	V	92.4	Very high	91.8	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	112.2	172.2	-177.1	0	0	0	0	108.3	L440 F442 L629 L631 Q639	L440-V636 HydrophobicContact CD1-CG2 3.49Å; L440-V636 VanDerWaalsContact CD1-CG2 3.49Å; L440-V636 HydrophobicContact CG-CG2 4.41Å; F442-V636 HydrophobicContact CD1-CG2 4.28Å; L629-V636 HydrophobicContact CD2-CG1 4.34Å; L631-V636 HydrophobicContact CD1-CG2 4.21Å; V636-Q639 HydrophobicContact CG1-CB 4.39Å
637	C	89.8	Confident	91.7	Very high	60 Å²	60	49.7 Å²	49.7	41%	0.405	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-43	175.3	-66.6	0	0	0	0	111.8	F630 K632 S635	F630-C637 HydrophobicContact CD1-CB 4.23Å; F630-C637 PolarHBondContact O-N 3.19Å; K632-C637 WeakPolarHBondContact CB-SG 3.32Å; S635-C637 PolarHBondContact O-N 3.38Å
638	E	92.1	Very high	91.6	Very high	31 Å²	31	55.1 Å²	55.1	15%	0.145	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145	-173.7	-60.9	175	177.4	0	0	110.7	F630 L645 G650 C651 Y652	F630-E638 HydrophobicContact CB-CB 4.14Å; F630-E638 PolarHBondContact N-O 2.98Å; E638-L645 HydrophobicContact CB-CD2 3.79Å; E638-G650 WeakPolarHBondContact OE1-CA 3.43Å; E638-C651 VanDerWaalsContact CD-N 3.35Å; E638-C651 PolarHBondContact OE1-N 3.38Å; E638-C651 PolarHBondContact OE2-N 3.14Å; E638-Y652 WeakPolarHBondContact OE2-CB 3.27Å; E638-Y652 PolarHBondContact OE2-N 3.22Å
639	Q	93	Very high	91	Very high	87 Å²	87	57.1 Å²	57.1	41%	0.407	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.8	174.4	64.4	-177.6	4.3	0	0	111	I628 L629 V636 R648	I628-Q639 VanDerWaalsContact O-CA 3.25Å; I628-Q639 WeakPolarHBondContact O-CA 3.47Å; L629-Q639 HydrophobicContact CD2-CB 3.69Å; V636-Q639 HydrophobicContact CG1-CB 4.39Å; Q639-R648 PolarHBondContact O-NH1 3.35Å
640	G	92.7	Very high	90.7	Very high	4 Å²	4	58 Å²	58	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-166.7	-176.4	0	0	0	0	0	112.8	H627 I628	H627-G640 PolarHBondContact ND1-O 3.37Å; I628-G640 PolarHBondContact N-O 3.2Å; I628-G640 PolarHBondContact O-N 2.92Å; I628-G640 VanDerWaalsContact O-N 3.15Å
641	T	93.4	Very high	90.4	Very high	49 Å²	49	59.6 Å²	59.6	30%	0.301	31%	0.313	S	S	.	.			trans	-85.7	164.6	164.5	66.3	0	0	0	0	110.5	L643 Q644 L645	T641-L643 VanDerWaalsContact C-N 3.32Å; T641-L643 PolarHBondContact O-N 3.02Å; T641-Q644 VanDerWaalsContact N-OE1 3.14Å; T641-Q644 PolarHBondContact O-N 3.43Å; T641-Q644 VanDerWaalsContact OG1-CG 3.3Å; T641-Q644 WeakPolarHBondContact OG1-CG 3.47Å; T641-Q644 PolarHBondContact OG1-N 2.96Å; T641-L645 WeakPolarHBondContact O-CG 3.47Å; T641-L645 PolarHBondContact O-N 3.49Å
642	H	91.4	Very high	90.2	Very high	38 Å²	38	59.6 Å²	59.6	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-50.4	-51.3	176.5	175.7	71.6	0	0	0	112.3	E623 I628 Q644 L645 M646 Y652	E623-H642 IonicContact OE1-CE1 3.84Å; I628-H642 HydrophobicContact CD1-CB 3.89Å; H642-Q644 PolarHBondContact O-N 3.03Å; H642-L645 PolarHBondContact O-N 3Å; H642-M646 VanDerWaalsContact O-CG 3.3Å; H642-M646 WeakPolarHBondContact O-CG 3.42Å; H642-M646 PolarHBondContact O-N 2.94Å; H642-Y652 AromaticContact ND1-CE1 3.49Å; H642-Y652 WeakPolarHBondContact ND1-CE1 3.3Å; H642-Y652 AromaticContact ND1-CZ 3.62Å; H642-Y652 PolarHBondContact ND1-OH 3.33Å
643	L	91.3	Very high	90.1	Very high	122 Å²	122	60.2 Å²	60.2	64%	0.639	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-46.3	179.4	-64.4	173.5	0	0	0	112.2	T641 L645 M646 E647	T641-L643 VanDerWaalsContact C-N 3.32Å; T641-L643 PolarHBondContact O-N 3.02Å; L643-L645 VanDerWaalsContact C-N 3.31Å; L643-L645 PolarHBondContact O-N 3.4Å; L643-M646 PolarHBondContact O-N 3.4Å; L643-E647 WeakPolarHBondContact O-CB 3.37Å; L643-E647 WeakPolarHBondContact O-CG 3.45Å; L643-E647 PolarHBondContact O-N 3.29Å
644	Q	92.1	Very high	90.1	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-37.9	179.1	-71.5	172.7	-8.9	0	0	112.5	T641 H642 R648	T641-Q644 VanDerWaalsContact N-OE1 3.14Å; T641-Q644 PolarHBondContact O-N 3.43Å; T641-Q644 VanDerWaalsContact OG1-CG 3.3Å; T641-Q644 WeakPolarHBondContact OG1-CG 3.47Å; T641-Q644 PolarHBondContact OG1-N 2.96Å; H642-Q644 PolarHBondContact O-N 3.03Å; Q644-R648 VanDerWaalsContact O-CG 3.27Å; Q644-R648 WeakPolarHBondContact O-CG 3.42Å; Q644-R648 PolarHBondContact O-N 3.49Å
645	L	90.8	Very high	90.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-75.3	-35.3	180	-67.3	179.3	0	0	0	112.1	I628 E638 T641 H642 L643 Y652	I628-L645 HydrophobicContact CB-CD1 3.74Å; I628-L645 HydrophobicContact CG2-CD1 3.8Å; E638-L645 HydrophobicContact CB-CD2 3.79Å; T641-L645 WeakPolarHBondContact O-CG 3.47Å; T641-L645 PolarHBondContact O-N 3.49Å; H642-L645 PolarHBondContact O-N 3Å; L643-L645 VanDerWaalsContact C-N 3.31Å; L643-L645 PolarHBondContact O-N 3.4Å; L645-Y652 HydrophobicContact CB-CD1 3.4Å; L645-Y652 HydrophobicContact CB-CE1 4.03Å; L645-Y652 HydrophobicContact CB-CG 3.88Å; L645-Y652 HydrophobicContact CD1-CD1 4.09Å; L645-Y652 HydrophobicContact CD1-CD2 4.17Å; L645-Y652 HydrophobicContact CD1-CG 3.89Å; L645-Y652 HydrophobicContact CG-CD1 4.39Å; L645-Y652 HydrophobicContact CG-CG 4.5Å
646	M	90.8	Very high	89.9	Confident	47 Å²	47	57.3 Å²	57.3	23%	0.232	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-38.9	174.2	-69.4	-59.6	-72.3	0	0	112.3	H642 L643 G649 Y652 R653 V656	H642-M646 VanDerWaalsContact O-CG 3.3Å; H642-M646 WeakPolarHBondContact O-CG 3.42Å; H642-M646 PolarHBondContact O-N 2.94Å; L643-M646 PolarHBondContact O-N 3.4Å; M646-G649 PolarHBondContact O-N 3.48Å; M646-Y652 HydrophobicContact CG-CE1 4.18Å; M646-Y652 HydrophobicContact SD-CD1 4.11Å; M646-Y652 HydrophobicContact SD-CE1 3.94Å; M646-R653 HydrophobicContact CE-CG 4.07Å; M646-R653 PolarHBondContact O-NH1 2.99Å; M646-R653 HydrophobicContact SD-CB 4.18Å; M646-R653 HydrophobicContact SD-CG 4.13Å; M646-V656 HydrophobicContact CE-CB 4.47Å; M646-V656 HydrophobicContact CE-CG1 4.09Å; M646-V656 HydrophobicContact SD-CB 4.12Å; M646-V656 HydrophobicContact SD-CG1 4.19Å; M646-V656 HydrophobicContact SD-CG2 4.02Å
647	E	90.8	Very high	89.6	Confident	157 Å²	157	60 Å²	60	73%	0.734	31%	0.313	S	S	*	.	H	α-helix	trans	-67.1	-38.2	175.7	-75.3	174	179.7	0	0	112.7	L643 G649	L643-E647 WeakPolarHBondContact O-CB 3.37Å; L643-E647 WeakPolarHBondContact O-CG 3.45Å; L643-E647 PolarHBondContact O-N 3.29Å; E647-G649 PolarHBondContact O-N 3.29Å
648	R	90.3	Very high	89.2	Confident	156 Å²	156	60.6 Å²	60.6	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-22.1	178.2	-80.4	176.1	-176.8	170.7	5.5	113.7	Q639 Q644 G650	Q639-R648 PolarHBondContact O-NH1 3.35Å; Q644-R648 VanDerWaalsContact O-CG 3.27Å; Q644-R648 WeakPolarHBondContact O-CG 3.42Å; Q644-R648 PolarHBondContact O-N 3.49Å; R648-G650 VanDerWaalsContact C-N 3.27Å; R648-G650 PolarHBondContact O-N 3.1Å
649	G	83.1	Confident	88.4	Confident	42 Å²	42	64 Å²	64	43%	0.433	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	24.2	176.9	0	0	0	0	0	114.8	M646 E647	M646-G649 PolarHBondContact O-N 3.48Å; E647-G649 PolarHBondContact O-N 3.29Å
650	G	89.3	Confident	87.2	Confident	19 Å²	19	63.6 Å²	63.6	20%	0.196	35%	0.353	C	S	.	.	S	Bend	trans	-95.1	-154.5	-173.4	0	0	0	0	0	115	E638 R648 Y652 R653 S654	E638-G650 WeakPolarHBondContact OE1-CA 3.43Å; R648-G650 VanDerWaalsContact C-N 3.27Å; R648-G650 PolarHBondContact O-N 3.1Å; G650-Y652 VanDerWaalsContact C-N 3.29Å; G650-Y652 PolarHBondContact O-N 2.95Å; G650-R653 PolarHBondContact O-N 3.19Å; G650-R653 VanDerWaalsContact O-N 3.13Å; G650-S654 PolarHBondContact O-N 2.99Å; G650-S654 PolarHBondContact O-OG 3.1Å
651	C	86.9	Confident	85.6	Confident	43 Å²	43	66.2 Å²	66.2	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-36.9	-174.7	-65.1	0	0	0	0	112.9	F630 E638 S654 M655	F630-C651 HydrophobicContact CD1-CB 3.81Å; F630-C651 HydrophobicContact CE1-CB 3.43Å; F630-C651 VanDerWaalsContact CE1-CB 3.43Å; F630-C651 HydrophobicContact CZ-CB 3.87Å; E638-C651 VanDerWaalsContact CD-N 3.35Å; E638-C651 PolarHBondContact OE1-N 3.38Å; E638-C651 PolarHBondContact OE2-N 3.14Å; C651-S654 PolarHBondContact O-N 2.86Å; C651-M655 PolarHBondContact O-N 2.68Å; C651-M655 VanDerWaalsContact O-N 3.13Å
652	Y	88.5	Confident	83.1	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-47.9	176.3	177.4	-100.6	0	0	0	111.3	V453 I628 F630 E638 H642 L645 M646 G650 S654 M655 V656	V453-Y652 HydrophobicContact CG2-CD2 3.95Å; V453-Y652 HydrophobicContact CG2-CE2 4.04Å; I628-Y652 HydrophobicContact CD1-CE2 4.15Å; I628-Y652 WeakPolarHBondContact CD1-OH 3.32Å; I628-Y652 HydrophobicContact CG2-CD2 4.13Å; I628-Y652 HydrophobicContact CG2-CE2 3.85Å; F630-Y652 HydrophobicContact CD2-CD2 4.14Å; E638-Y652 WeakPolarHBondContact OE2-CB 3.27Å; E638-Y652 PolarHBondContact OE2-N 3.22Å; H642-Y652 AromaticContact ND1-CE1 3.49Å; H642-Y652 WeakPolarHBondContact ND1-CE1 3.3Å; H642-Y652 AromaticContact ND1-CZ 3.62Å; H642-Y652 PolarHBondContact ND1-OH 3.33Å; L645-Y652 HydrophobicContact CB-CD1 3.4Å; L645-Y652 HydrophobicContact CB-CE1 4.03Å; L645-Y652 HydrophobicContact CB-CG 3.88Å; L645-Y652 HydrophobicContact CD1-CD1 4.09Å; L645-Y652 HydrophobicContact CD1-CD2 4.17Å; L645-Y652 HydrophobicContact CD1-CG 3.89Å; L645-Y652 HydrophobicContact CG-CD1 4.39Å; L645-Y652 HydrophobicContact CG-CG 4.5Å; M646-Y652 HydrophobicContact CG-CE1 4.18Å; M646-Y652 HydrophobicContact SD-CD1 4.11Å; M646-Y652 HydrophobicContact SD-CE1 3.94Å; G650-Y652 VanDerWaalsContact C-N 3.29Å; G650-Y652 PolarHBondContact O-N 2.95Å; Y652-S654 PolarHBondContact O-N 3.41Å; Y652-M655 HydrophobicContact CD2-CE 4.04Å; Y652-M655 HydrophobicContact CE2-CE 4Å; Y652-M655 WeakPolarHBondContact O-CB 3.41Å; Y652-M655 PolarHBondContact O-N 2.81Å; Y652-M655 VanDerWaalsContact O-N 3.14Å; Y652-V656 HydrophobicContact CD1-CG2 4.13Å; Y652-V656 HydrophobicContact CE1-CG2 3.75Å; Y652-V656 HydrophobicContact CE2-CG2 4.29Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.77Å
653	R	88.8	Confident	80.8	Confident	96 Å²	96	73 Å²	73	36%	0.362	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-43.8	179.2	-177.8	-178.7	177.4	153.2	-7	111.7	M646 G650 M655 V656 E657	M646-R653 HydrophobicContact CE-CG 4.07Å; M646-R653 PolarHBondContact O-NH1 2.99Å; M646-R653 HydrophobicContact SD-CB 4.18Å; M646-R653 HydrophobicContact SD-CG 4.13Å; G650-R653 PolarHBondContact O-N 3.19Å; G650-R653 VanDerWaalsContact O-N 3.13Å; R653-M655 VanDerWaalsContact C-N 3.26Å; R653-M655 PolarHBondContact O-N 2.96Å; R653-V656 PolarHBondContact O-N 3.25Å; R653-V656 VanDerWaalsContact O-N 3.08Å; R653-E657 HydrophobicContact CG-CG 4.23Å; R653-E657 IonicContact CZ-OE1 3.44Å; R653-E657 IonicContact NE-OE1 2.73Å; R653-E657 PolarHBondContact NE-OE1 3.31Å; R653-E657 IonicContact NH2-OE1 3.22Å; R653-E657 PolarHBondContact NH2-OE1 3.23Å; R653-E657 WeakPolarHBondContact O-CG 3.27Å; R653-E657 PolarHBondContact O-N 3.46Å
654	S	87	Confident	78.1	Confident	69 Å²	69	77.9 Å²	77.9	48%	0.483	45%	0.452	S	S	.	.	H	α-helix	trans	-59.4	-37.5	176.5	-54.6	0	0	0	0	112.5	G650 C651 Y652 A658	G650-S654 PolarHBondContact O-N 2.99Å; G650-S654 PolarHBondContact O-OG 3.1Å; C651-S654 PolarHBondContact O-N 2.86Å; Y652-S654 PolarHBondContact O-N 3.41Å; S654-A658 VanDerWaalsContact O-CB 3.22Å; S654-A658 WeakPolarHBondContact O-CB 3.31Å; S654-A658 PolarHBondContact O-N 2.89Å
655	M	86.6	Confident	77.4	Confident	42 Å²	42	77.2 Å²	77.2	21%	0.207	45%	0.453	C	S	.	.	H	α-helix	trans	-65.6	-43.5	173.6	-177.3	-166.8	72.3	0	0	111.5	V453 F630 C651 Y652 R653 A658 L659	V453-M655 HydrophobicContact CB-CE 4.08Å; V453-M655 HydrophobicContact CB-SD 4.45Å; V453-M655 HydrophobicContact CG2-CE 4.22Å; F630-M655 HydrophobicContact CD2-SD 4.43Å; F630-M655 HydrophobicContact CE2-CB 3.97Å; F630-M655 HydrophobicContact CE2-CE 4.36Å; F630-M655 HydrophobicContact CE2-CG 4.4Å; F630-M655 HydrophobicContact CE2-SD 3.72Å; C651-M655 PolarHBondContact O-N 2.68Å; C651-M655 VanDerWaalsContact O-N 3.13Å; Y652-M655 HydrophobicContact CD2-CE 4.04Å; Y652-M655 HydrophobicContact CE2-CE 4Å; Y652-M655 WeakPolarHBondContact O-CB 3.41Å; Y652-M655 PolarHBondContact O-N 2.81Å; Y652-M655 VanDerWaalsContact O-N 3.14Å; R653-M655 VanDerWaalsContact C-N 3.26Å; R653-M655 PolarHBondContact O-N 2.96Å; M655-A658 PolarHBondContact O-N 3.45Å; M655-L659 HydrophobicContact CG-CD1 3.99Å; M655-L659 WeakPolarHBondContact O-CB 3.19Å; M655-L659 VanDerWaalsContact O-CG 3.29Å; M655-L659 WeakPolarHBondContact O-CG 3.41Å; M655-L659 PolarHBondContact O-N 3.47Å
656	V	86.5	Confident	76.7	Confident	12 Å²	12	81.3 Å²	81.3	7%	0.073	48%	0.477	C	S	.	.	H	α-helix	trans	-62.2	-47.1	177.9	176.5	0	0	0	0	111.2	L619 M646 Y652 R653 L659 A660	L619-V656 HydrophobicContact CD1-CB 4.32Å; L619-V656 HydrophobicContact CD1-CG1 4.04Å; L619-V656 HydrophobicContact CD1-CG2 3.57Å; L619-V656 HydrophobicContact CD2-CG1 3.82Å; M646-V656 HydrophobicContact CE-CB 4.47Å; M646-V656 HydrophobicContact CE-CG1 4.09Å; M646-V656 HydrophobicContact SD-CB 4.12Å; M646-V656 HydrophobicContact SD-CG1 4.19Å; M646-V656 HydrophobicContact SD-CG2 4.02Å; Y652-V656 HydrophobicContact CD1-CG2 4.13Å; Y652-V656 HydrophobicContact CE1-CG2 3.75Å; Y652-V656 HydrophobicContact CE2-CG2 4.29Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.77Å; R653-V656 PolarHBondContact O-N 3.25Å; R653-V656 VanDerWaalsContact O-N 3.08Å; V656-L659 PolarHBondContact O-N 3.49Å; V656-A660 WeakPolarHBondContact O-CB 3.46Å; V656-A660 PolarHBondContact O-N 3.22Å
657	E	85.8	Confident	76	Confident	94 Å²	94	83.2 Å²	83.2	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-40.2	178.8	-71.7	175.6	169.6	0	0	111.8	R653 L659 A660 A661	R653-E657 HydrophobicContact CG-CG 4.23Å; R653-E657 IonicContact CZ-OE1 3.44Å; R653-E657 IonicContact NE-OE1 2.73Å; R653-E657 PolarHBondContact NE-OE1 3.31Å; R653-E657 IonicContact NH2-OE1 3.22Å; R653-E657 PolarHBondContact NH2-OE1 3.23Å; R653-E657 WeakPolarHBondContact O-CG 3.27Å; R653-E657 PolarHBondContact O-N 3.46Å; E657-L659 VanDerWaalsContact C-N 3.33Å; E657-L659 PolarHBondContact O-N 3.35Å; E657-A660 PolarHBondContact O-N 3.29Å; E657-A661 PolarHBondContact O-N 3.45Å
658	A	82.4	Confident	75.1	Confident	72 Å²	72	78.8 Å²	78.8	60%	0.595	48%	0.476	S	S	*	.	H	α-helix	trans	-65.6	-33.8	175.8	0	0	0	0	0	113	S654 M655	S654-A658 VanDerWaalsContact O-CB 3.22Å; S654-A658 WeakPolarHBondContact O-CB 3.31Å; S654-A658 PolarHBondContact O-N 2.89Å; M655-A658 PolarHBondContact O-N 3.45Å
659	L	74.9	Confident	74.1	Confident	104 Å²	104	74 Å²	74	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-77.6	-23.9	174.9	-72.5	168.1	0	0	0	112.9	M655 V656 E657	M655-L659 HydrophobicContact CG-CD1 3.99Å; M655-L659 WeakPolarHBondContact O-CB 3.19Å; M655-L659 VanDerWaalsContact O-CG 3.29Å; M655-L659 WeakPolarHBondContact O-CG 3.41Å; M655-L659 PolarHBondContact O-N 3.47Å; V656-L659 PolarHBondContact O-N 3.49Å; E657-L659 VanDerWaalsContact C-N 3.33Å; E657-L659 PolarHBondContact O-N 3.35Å
660	A	68.7	Low	73.5	Confident	78 Å²	78	76.1 Å²	76.1	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-88.2	-17.4	177.6	0	0	0	0	0	113.3	V656 E657	V656-A660 WeakPolarHBondContact O-CB 3.46Å; V656-A660 PolarHBondContact O-N 3.22Å; E657-A660 PolarHBondContact O-N 3.29Å
661	A	57.5	Low	72.4	Confident	58 Å²	58	80.2 Å²	80.2	48%	0.479	49%	0.491	S	S	.	.	S	Bend	trans	-67	132.1	173.3	0	0	0	0	0	109.9	E657 S663	E657-A661 PolarHBondContact O-N 3.45Å; A661-S663 PolarHBondContact O-N 3.21Å
662	P	42.8	Very low	71.3	Confident	108 Å²	108	83.1 Å²	83.1	70%	0.701	51%	0.507	S	S	*	.			trans	-58.9	130.1	174	23.9	-30.2	0	0	0	108.9	D664	P662-D664 PolarHBondContact O-N 2.89Å
663	S	42.8	Very low	69.9	Low	122 Å²	122	90 Å²	90	85%	0.853	55%	0.549	S	S	*	.			trans	-66.1	99.7	167.3	52.7	0	0	0	0	107.9	A661	A661-S663 PolarHBondContact O-N 3.21Å
664	D	34.6	Very low	68.1	Low	225 Å²	225	89.5 Å²	89.5	100%	1.203	57%	0.566	S	S	*	*			trans	-60.8	0	172.7	-77.5	-24.3	0	0	0	112.5	P662	P662-D664 PolarHBondContact O-N 2.89Å

Retrieved 664 of 664 residues in 1167.8 ms (Link to these results)

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