A0A023IKJ3_RAT Loading...

Antigen peptide transporter 2

ABC transporter associated with antigen processing. In complex with TAP1 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 A0A023IKJ3, Species RAT (Rattus norvegicus, Rat), Gene Tap2, Length 703 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	M	30.1	Very low	44.7	Very low	250 Å²	250	114.4 Å²	114.4	100%	1.232	62%	0.621	S	S	*	*				0	118	0	-133.3	169.4	-178	0	0	107.5
2	A	26	Very low	46.6	Very low	82 Å²	82	105.8 Å²	105.8	68%	0.678	57%	0.574	S	S	*	*			trans	-70.6	139	-170.8	0	0	0	0	0	111.5	S4	A2-S4 PolarHBondContact O-N 3.27Å
3	L	34.4	Very low	48	Very low	182 Å²	182	101.9 Å²	101.9	95%	0.953	55%	0.553	S	S	*	*			trans	-66.3	50.8	163.3	-85.5	149.9	0	0	0	110.9	H5	L3-H5 PolarHBondContact O-N 2.68Å
4	S	34.1	Very low	49.3	Very low	82 Å²	82	103.1 Å²	103.1	57%	0.573	56%	0.558	S	S	*	*			trans	-97.3	82.6	178.6	57.5	0	0	0	0	109.2	A2	A2-S4 PolarHBondContact O-N 3.27Å
5	H	35.8	Very low	50.7	Low	134 Å²	134	100.4 Å²	100.4	62%	0.62	55%	0.546	S	S	*	.			trans	155.2	112.6	139.8	-76.4	-49.9	0	0	0	109.4	L3 R7 P8	L3-H5 PolarHBondContact O-N 2.68Å; H5-R7 PolarHBondContact O-N 2.74Å; H5-P8 WeakPolarHBondContact O-CD 3.24Å
6	P	48.3	Very low	51.9	Low	104 Å²	104	94.1 Å²	94.1	68%	0.675	51%	0.511	S	S	*	.	S	Bend	trans	-75.8	-8.5	176.7	28.5	-33.8	0	0	0	114.1	W9 A10	P6-W9 PolarHBondContact O-N 3.07Å; P6-A10 PolarHBondContact O-N 2.9Å
7	R	48.8	Very low	52.9	Low	202 Å²	202	92.2 Å²	92.2	76%	0.762	50%	0.5	S	S	*	.	H	α-helix	trans	-60.8	-39.8	-175.1	-69.6	-178.1	173.6	170.8	-2.5	116.3	H5 W9 S11	H5-R7 PolarHBondContact O-N 2.74Å; R7-W9 VanDerWaalsContact C-N 3.35Å; R7-S11 PolarHBondContact O-N 3.2Å; R7-S11 PolarHBondContact O-OG 2.82Å
8	P	55.3	Low	53.7	Low	31 Å²	31	90.4 Å²	90.4	20%	0.201	50%	0.5	C	S	.	.	H	α-helix	trans	-74.8	-23.1	179.4	27.6	-29.7	0	0	0	113.2	H5 S11 L12 L58	H5-P8 WeakPolarHBondContact O-CD 3.24Å; P8-S11 WeakPolarHBondContact CA-OG 3.2Å; P8-S11 PolarHBondContact O-OG 3.1Å; P8-L12 PolarHBondContact O-N 3.31Å; P8-L58 HydrophobicContact CB-CD2 3.83Å
9	W	58.7	Low	54.5	Low	82 Å²	82	86.7 Å²	86.7	31%	0.311	48%	0.479	S	S	.	.	H	α-helix	trans	-78.4	-43	177.3	-81.8	86.9	0	0	0	112.4	P6 R7 S11 L12 L13 F65 L113	P6-W9 PolarHBondContact O-N 3.07Å; R7-W9 VanDerWaalsContact C-N 3.35Å; W9-S11 VanDerWaalsContact C-N 3.28Å; W9-S11 PolarHBondContact O-N 2.75Å; W9-L12 PolarHBondContact O-N 2.95Å; W9-L13 WeakPolarHBondContact O-CG 3.43Å; W9-L13 PolarHBondContact O-N 2.75Å; W9-F65 HydrophobicContact CH2-CB 4.42Å; W9-L113 HydrophobicContact CH2-CD1 3.21Å; W9-L113 HydrophobicContact CH2-CD2 3.79Å; W9-L113 HydrophobicContact CH2-CG 4.11Å; W9-L113 HydrophobicContact CZ2-CD1 4.24Å; W9-L113 HydrophobicContact CZ2-CD2 4.43Å; W9-L113 HydrophobicContact CZ3-CD1 3.41Å; W9-L113 VanDerWaalsContact CZ3-CD1 3.41Å
10	A	58.6	Low	55.2	Low	52 Å²	52	82.8 Å²	82.8	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-38.3	176.5	0	0	0	0	0	112.1	P6 L14	P6-A10 PolarHBondContact O-N 2.9Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 WeakPolarHBondContact O-CD1 3.12Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 2.62Å; A10-L14 VanDerWaalsContact O-N 3.08Å
11	S	61.7	Low	55.6	Low	57 Å²	57	80.4 Å²	80.4	40%	0.399	45%	0.452	S	S	.	.	H	α-helix	trans	-69.1	-38.2	176.3	43.3	0	0	0	0	112.6	R7 P8 W9 L14 V15	R7-S11 PolarHBondContact O-N 3.2Å; R7-S11 PolarHBondContact O-OG 2.82Å; P8-S11 WeakPolarHBondContact CA-OG 3.2Å; P8-S11 PolarHBondContact O-OG 3.1Å; W9-S11 VanDerWaalsContact C-N 3.28Å; W9-S11 PolarHBondContact O-N 2.75Å; S11-L14 PolarHBondContact O-N 3.44Å; S11-V15 VanDerWaalsContact O-CG2 3.22Å; S11-V15 WeakPolarHBondContact O-CG2 3.48Å; S11-V15 PolarHBondContact O-N 3.25Å
12	L	66.9	Low	57.2	Low	11 Å²	11	73.6 Å²	73.6	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-67.4	-42.4	176.5	-162.6	156.3	0	0	0	112.1	P8 W9 L14 V15 D16 L53 V62 L66 L69	P8-L12 PolarHBondContact O-N 3.31Å; W9-L12 PolarHBondContact O-N 2.95Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-V15 PolarHBondContact O-N 3.35Å; L12-D16 VanDerWaalsContact O-CB 3.31Å; L12-D16 WeakPolarHBondContact O-CB 3.41Å; L12-D16 PolarHBondContact O-N 3.39Å; L12-L53 HydrophobicContact CD1-CD1 3.81Å; L12-L53 HydrophobicContact CD1-CD2 4.1Å; L12-V62 HydrophobicContact CD1-CB 4.18Å; L12-V62 HydrophobicContact CD1-CG1 3.41Å; L12-V62 VanDerWaalsContact CD1-CG1 3.41Å; L12-L66 HydrophobicContact CD1-CD1 4.17Å; L12-L69 HydrophobicContact CD2-CD1 4.45Å
13	L	65.9	Low	59	Low	56 Å²	56	70.2 Å²	70.2	29%	0.293	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-37.5	175.8	-70.9	172.6	0	0	0	112.5	W9 D16 L17 L69 Y106	W9-L13 WeakPolarHBondContact O-CG 3.43Å; W9-L13 PolarHBondContact O-N 2.75Å; L13-D16 PolarHBondContact O-N 3.04Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.48Å; L13-L69 HydrophobicContact CD2-CD1 4.44Å; L13-Y106 HydrophobicContact CD2-CD1 3.45Å; L13-Y106 VanDerWaalsContact CD2-CD1 3.45Å; L13-Y106 HydrophobicContact CD2-CE1 3.47Å; L13-Y106 VanDerWaalsContact CD2-CE1 3.47Å; L13-Y106 HydrophobicContact CD2-CG 4.27Å
14	L	66.3	Low	60.4	Low	119 Å²	119	67.7 Å²	67.7	62%	0.623	37%	0.373	S	S	*	.	H	α-helix	trans	-67.3	-40	175.2	-75.9	169.7	0	0	0	112.3	A10 S11 L12 A18	A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 WeakPolarHBondContact O-CD1 3.12Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 2.62Å; A10-L14 VanDerWaalsContact O-N 3.08Å; S11-L14 PolarHBondContact O-N 3.44Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.39Å
15	V	69.1	Low	61.5	Low	62 Å²	62	68.3 Å²	68.3	38%	0.376	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-40.1	176.3	171.4	0	0	0	0	110.9	S11 L12 A18 L19 L49 L52	S11-V15 VanDerWaalsContact O-CG2 3.22Å; S11-V15 WeakPolarHBondContact O-CG2 3.48Å; S11-V15 PolarHBondContact O-N 3.25Å; L12-V15 PolarHBondContact O-N 3.35Å; V15-A18 PolarHBondContact O-N 3.46Å; V15-L19 WeakPolarHBondContact O-CB 3.38Å; V15-L19 PolarHBondContact O-N 3.31Å; V15-L49 HydrophobicContact CG1-CD2 3.81Å; V15-L52 HydrophobicContact CG1-CD1 3.96Å
16	D	71	Confident	62.4	Low	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-69.4	-37.6	177.8	-172.7	42.3	0	0	0	112.5	L12 L13 L19 L20 R45 L49 L69 Y106	L12-D16 VanDerWaalsContact O-CB 3.31Å; L12-D16 WeakPolarHBondContact O-CB 3.41Å; L12-D16 PolarHBondContact O-N 3.39Å; L13-D16 PolarHBondContact O-N 3.04Å; D16-L19 PolarHBondContact O-N 2.95Å; D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 WeakPolarHBondContact O-CG 3.46Å; D16-L20 PolarHBondContact O-N 2.78Å; D16-R45 IonicContact OD1-CZ 2.75Å; D16-R45 VanDerWaalsContact OD1-CZ 3.3Å; D16-R45 IonicContact OD1-NE 3.61Å; D16-R45 PolarHBondContact OD1-NE 3.17Å; D16-R45 IonicContact OD1-NH2 3.65Å; D16-R45 PolarHBondContact OD1-NH2 3.04Å; D16-R45 IonicContact OD2-CZ 3.6Å; D16-R45 IonicContact OD2-NH2 3.83Å; D16-R45 PolarHBondContact OD2-NH2 3Å; D16-L49 HydrophobicContact CB-CD1 4.37Å; D16-L49 HydrophobicContact CB-CD2 4.43Å; D16-L69 WeakPolarHBondContact OD2-CD2 3.36Å; D16-Y106 PolarHBondContact OD2-OH 2.94Å
17	L	68.8	Low	62.7	Low	62 Å²	62	63.7 Å²	63.7	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-42	169.3	-86.1	161.1	0	0	0	112.6	L13 L19 L20 G21	L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L20 PolarHBondContact O-N 2.67Å; L17-G21 PolarHBondContact O-N 2.84Å; L17-G21 VanDerWaalsContact O-N 3.11Å
18	A	66.6	Low	63	Low	59 Å²	59	54.7 Å²	54.7	49%	0.488	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-37.9	175.8	0	0	0	0	0	111.8	L14 V15 G21 L22	L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.39Å; V15-A18 PolarHBondContact O-N 3.46Å; A18-G21 PolarHBondContact O-N 2.84Å; A18-L22 PolarHBondContact O-N 3.07Å; A18-L22 VanDerWaalsContact O-N 3.09Å
19	L	70	Confident	63.1	Low	20 Å²	20	59.6 Å²	59.6	11%	0.105	36%	0.357	C	S	.	.	H	α-helix	trans	-69.9	-37.9	178.3	-161.6	120.7	0	0	0	112.3	V15 D16 L17 L22 L23 R45 V48	V15-L19 WeakPolarHBondContact O-CB 3.38Å; V15-L19 PolarHBondContact O-N 3.31Å; D16-L19 PolarHBondContact O-N 2.95Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-L22 PolarHBondContact O-N 3.02Å; L19-L23 HydrophobicContact CD2-CD1 3.74Å; L19-L23 HydrophobicContact CG-CD1 4.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.92Å; L19-R45 HydrophobicContact CD2-CB 4.21Å; L19-R45 HydrophobicContact CD2-CG 3.54Å; L19-V48 HydrophobicContact CD1-CB 3.8Å; L19-V48 HydrophobicContact CD1-CG1 3.33Å; L19-V48 HydrophobicContact CD1-CG2 4.49Å
20	L	68.7	Low	63.1	Low	9 Å²	9	62.4 Å²	62.4	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-41.3	170.5	-80.9	175.7	0	0	0	112.1	D16 L17 L22 L23 Q24 R45 V94 A95 L102	D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 WeakPolarHBondContact O-CG 3.46Å; D16-L20 PolarHBondContact O-N 2.78Å; L17-L20 PolarHBondContact O-N 2.67Å; L20-L22 PolarHBondContact O-N 2.79Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-Q24 WeakPolarHBondContact O-CB 3.49Å; L20-Q24 PolarHBondContact O-N 2.66Å; L20-R45 VanDerWaalsContact CD2-CZ 3.46Å; L20-V94 HydrophobicContact CD2-CG1 4.33Å; L20-A95 HydrophobicContact CD2-CB 4.26Å; L20-L102 HydrophobicContact CD1-CD2 4.15Å
21	G	62.8	Low	63.2	Low	33 Å²	33	61 Å²	61	34%	0.34	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-34.7	175.1	0	0	0	0	0	113.9	L17 A18 S25	L17-G21 PolarHBondContact O-N 2.84Å; L17-G21 VanDerWaalsContact O-N 3.11Å; A18-G21 PolarHBondContact O-N 2.84Å; G21-S25 PolarHBondContact O-N 3.49Å; G21-S25 PolarHBondContact O-OG 2.93Å
22	L	62.9	Low	63.3	Low	107 Å²	107	61.1 Å²	61.1	56%	0.56	36%	0.362	S	S	*	.	H	α-helix	trans	-69.9	-41.1	174	-83.9	160.7	0	0	0	112.4	A18 L19 L20 Q24 S25 S26	A18-L22 PolarHBondContact O-N 3.07Å; A18-L22 VanDerWaalsContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 3.02Å; L20-L22 PolarHBondContact O-N 2.79Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 2.8Å; L22-S25 PolarHBondContact O-N 2.97Å; L22-S25 PolarHBondContact O-OG 3.39Å; L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 VanDerWaalsContact O-N 3.1Å; L22-S26 PolarHBondContact O-OG 2.74Å
23	L	64.1	Low	62.9	Low	10 Å²	10	66.1 Å²	66.1	5%	0.052	40%	0.395	C	S	.	.	I	π-helix	trans	-65.9	-33.2	175.4	-78.3	161.6	0	0	0	112.1	L19 L20 L27 G28 R45	L19-L23 HydrophobicContact CD2-CD1 3.74Å; L19-L23 HydrophobicContact CG-CD1 4.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.92Å; L20-L23 PolarHBondContact O-N 3.47Å; L23-L27 HydrophobicContact CD2-CB 4.14Å; L23-G28 WeakPolarHBondContact O-CA 3.48Å; L23-G28 PolarHBondContact O-N 3.41Å; L23-R45 HydrophobicContact CD1-CG 3.82Å
24	Q	63.4	Low	62.9	Low	129 Å²	129	64.9 Å²	64.9	60%	0.603	40%	0.395	S	S	*	.	I	π-helix	trans	-69	-32.5	176.7	-164.2	178.2	4.6	0	0	113.2	L20 L22 A95	L20-Q24 WeakPolarHBondContact O-CB 3.49Å; L20-Q24 PolarHBondContact O-N 2.66Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 2.8Å; Q24-A95 HydrophobicContact CB-CB 4.24Å; Q24-A95 WeakPolarHBondContact CG-O 3.33Å; Q24-A95 PolarHBondContact NE2-O 3.46Å; Q24-A95 PolarHBondContact OE1-O 3.14Å
25	S	57.7	Low	62.7	Low	96 Å²	96	62 Å²	62	67%	0.671	38%	0.381	S	S	*	.	I	π-helix	trans	-98	-39.3	-170.9	51.2	0	0	0	0	114.8	G21 L22	G21-S25 PolarHBondContact O-N 3.49Å; G21-S25 PolarHBondContact O-OG 2.93Å; L22-S25 PolarHBondContact O-N 2.97Å; L22-S25 PolarHBondContact O-OG 3.39Å
26	S	55.6	Low	62.6	Low	72 Å²	72	63 Å²	63	50%	0.503	39%	0.388	S	S	.	.	I	π-helix	trans	-115.4	-27.3	-167.4	61.7	0	0	0	0	115.4	L22	L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 VanDerWaalsContact O-N 3.1Å; L22-S26 PolarHBondContact O-OG 2.74Å
27	L	54.3	Low	62.4	Low	69 Å²	69	63.3 Å²	63.3	36%	0.361	39%	0.391	S	S	.	.	I	π-helix	trans	-116.1	-13.7	-172.6	-98.7	134.8	0	0	0	114.5	L23 T29 L30	L23-L27 HydrophobicContact CD2-CB 4.14Å; L27-T29 PolarHBondContact O-N 2.76Å; L27-L30 PolarHBondContact O-N 3.28Å
28	G	55.6	Low	62.4	Low	12 Å²	12	60.5 Å²	60.5	12%	0.124	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.5	-177.3	0	0	0	0	0	114.5	L23 R93	L23-G28 WeakPolarHBondContact O-CA 3.48Å; L23-G28 PolarHBondContact O-N 3.41Å; G28-R93 PolarHBondContact O-NH1 3.19Å; G28-R93 PolarHBondContact O-NH2 3.18Å
29	T	56.5	Low	62.6	Low	134 Å²	134	62.2 Å²	62.2	82%	0.822	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.3	179.1	49.8	0	0	0	0	113.6	L27	L27-T29 PolarHBondContact O-N 2.76Å
30	L	57.9	Low	62.7	Low	141 Å²	141	65 Å²	65	74%	0.738	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.8	-177.3	-74.6	162.3	0	0	0	113.9	L27	L27-L30 PolarHBondContact O-N 3.28Å
31	L	61.7	Low	63	Low	23 Å²	23	65 Å²	65	12%	0.12	39%	0.385	C	S	.	.	S	Bend	trans	-89.8	130.1	-175.8	-75.1	155	0	0	0	111.6	L40 R93	L31-L40 HydrophobicContact CD2-CB 3.51Å; L31-L40 HydrophobicContact CD2-CD1 4.17Å; L31-L40 HydrophobicContact CD2-CG 4.37Å; L31-R93 PolarHBondContact O-NH2 3.12Å
32	P	63.8	Low	63.3	Low	59 Å²	59	63.6 Å²	63.6	38%	0.383	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.3	-177.6	23.9	-32.3	0	0	0	111.7	G37 L40	P32-G37 WeakPolarHBondContact O-CA 3.28Å; P32-L40 HydrophobicContact CG-CD1 4.09Å
33	P	58.8	Low	63.7	Low	117 Å²	117	61.9 Å²	61.9	76%	0.76	37%	0.365	S	S	*	.	S	Bend	trans	-68.7	146.2	175.5	27.9	-33.1	0	0	0	111.6
34	G	65	Low	64.2	Low	29 Å²	29	64.7 Å²	64.7	30%	0.299	38%	0.379	S	S	.	.	S	Bend	trans	102.8	-168.9	178.3	0	0	0	0	0	114.8	G37 L38	G34-G37 PolarHBondContact O-N 3.03Å; G34-G37 VanDerWaalsContact O-N 3.08Å; G34-L38 PolarHBondContact O-N 3.38Å
35	L	63.1	Low	64.7	Low	60 Å²	60	58.8 Å²	58.8	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-52.9	-39.8	-179	-70.1	167.7	0	0	0	114.2	G37 L38 W39 F77 A81	L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 2.74Å; L35-W39 PolarHBondContact O-N 3.5Å; L35-F77 HydrophobicContact CD2-CB 4.12Å; L35-A81 HydrophobicContact CD1-CB 4.17Å
36	P	66.6	Low	65.6	Low	82 Å²	82	55.9 Å²	55.9	53%	0.532	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-35.2	177.5	-21.5	33.4	0	0	0	113	L40	P36-L40 PolarHBondContact O-N 2.93Å
37	G	66.4	Low	66.4	Low	6 Å²	6	54.4 Å²	54.4	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-39.1	176	0	0	0	0	0	113	P32 G34 L35 L40 E41	P32-G37 WeakPolarHBondContact O-CA 3.28Å; G34-G37 PolarHBondContact O-N 3.03Å; G34-G37 VanDerWaalsContact O-N 3.08Å; L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.33Å; G37-L40 PolarHBondContact O-N 3.05Å; G37-E41 WeakPolarHBondContact O-CB 3.34Å; G37-E41 PolarHBondContact O-N 3.39Å
38	L	69.4	Low	67.3	Low	4 Å²	4	54 Å²	54	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-38.9	177.1	-76.3	173.1	0	0	0	112.6	G34 L35 G42 P74 F77 V91 V94	G34-L38 PolarHBondContact O-N 3.38Å; L35-L38 PolarHBondContact O-N 2.74Å; L38-G42 PolarHBondContact O-N 3Å; L38-P74 HydrophobicContact CB-CB 4.32Å; L38-F77 HydrophobicContact CD1-CB 4.36Å; L38-F77 HydrophobicContact CD1-CD2 4.45Å; L38-V91 HydrophobicContact CD1-CG1 3.33Å; L38-V91 HydrophobicContact CG-CG1 4.1Å; L38-V94 HydrophobicContact CD2-CG2 4.15Å
39	W	70.9	Confident	68	Low	94 Å²	94	53.6 Å²	53.6	36%	0.356	32%	0.319	S	S	.	.	H	α-helix	trans	-69	-38.9	175.1	-83.8	93.6	0	0	0	112	L35 T43 L71 P74 L75 S78	L35-W39 PolarHBondContact O-N 3.5Å; W39-T43 WeakPolarHBondContact O-CB 3.45Å; W39-T43 VanDerWaalsContact O-CG2 3.27Å; W39-T43 WeakPolarHBondContact O-CG2 3.46Å; W39-T43 PolarHBondContact O-N 2.87Å; W39-T43 PolarHBondContact O-OG1 2.88Å; W39-L71 HydrophobicContact CE3-CD2 4.44Å; W39-L71 HydrophobicContact CZ3-CD2 4.31Å; W39-P74 HydrophobicContact CD2-CB 4Å; W39-P74 HydrophobicContact CG-CB 4.04Å; W39-L75 HydrophobicContact CH2-CD2 3.85Å; W39-L75 HydrophobicContact CH2-CG 4.04Å; W39-L75 HydrophobicContact CZ2-CD2 3.98Å; W39-L75 HydrophobicContact CZ2-CG 4.21Å; W39-S78 PolarHBondContact NE1-OG 3.28Å
40	L	72.1	Confident	68.8	Low	78 Å²	78	52.7 Å²	52.7	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-45	172.5	-84	161.9	0	0	0	111.6	L31 P32 P36 G37 G42 T43 L44	L31-L40 HydrophobicContact CD2-CB 3.51Å; L31-L40 HydrophobicContact CD2-CD1 4.17Å; L31-L40 HydrophobicContact CD2-CG 4.37Å; P32-L40 HydrophobicContact CG-CD1 4.09Å; P36-L40 PolarHBondContact O-N 2.93Å; G37-L40 PolarHBondContact O-N 3.05Å; L40-G42 PolarHBondContact O-N 3.48Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.29Å; L40-T43 PolarHBondContact O-OG1 2.97Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.29Å
41	E	73.5	Confident	69.3	Low	10 Å²	10	47.7 Å²	47.7	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-45.6	176.2	-171.4	-179.2	169.2	0	0	111.7	G37 L44 R45 A95	G37-E41 WeakPolarHBondContact O-CB 3.34Å; G37-E41 PolarHBondContact O-N 3.39Å; E41-L44 PolarHBondContact O-N 3Å; E41-R45 WeakPolarHBondContact O-CB 3.44Å; E41-R45 WeakPolarHBondContact O-CG 3.34Å; E41-R45 PolarHBondContact O-N 3.44Å; E41-A95 WeakPolarHBondContact OE1-CB 3.49Å; E41-A95 PolarHBondContact OE1-N 3.49Å; E41-A95 VanDerWaalsContact OE1-N 3.11Å
42	G	70.3	Confident	69.6	Low	4 Å²	4	51.1 Å²	51.1	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177.8	0	0	0	0	0	113.8	L38 L40 L46 C70	L38-G42 PolarHBondContact O-N 3Å; L40-G42 PolarHBondContact O-N 3.48Å; G42-L46 WeakPolarHBondContact O-CB 3.38Å; G42-L46 PolarHBondContact O-N 3.4Å; G42-C70 WeakPolarHBondContact CA-O 3.39Å
43	T	71.1	Confident	69.8	Low	71 Å²	71	49.2 Å²	49.2	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-34.6	177.8	50.4	0	0	0	0	112.7	W39 L40 L46 G47 L71	W39-T43 WeakPolarHBondContact O-CB 3.45Å; W39-T43 VanDerWaalsContact O-CG2 3.27Å; W39-T43 WeakPolarHBondContact O-CG2 3.46Å; W39-T43 PolarHBondContact O-N 2.87Å; W39-T43 PolarHBondContact O-OG1 2.88Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.29Å; L40-T43 PolarHBondContact O-OG1 2.97Å; T43-L46 PolarHBondContact O-N 3.42Å; T43-G47 PolarHBondContact O-N 3.48Å; T43-L71 HydrophobicContact CG2-CD2 4.46Å
44	L	74.3	Confident	70.1	Confident	68 Å²	68	50.8 Å²	50.8	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-43.9	174.5	-131.7	137.8	0	0	0	111.3	L40 E41 L46 G47 V48	L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.29Å; E41-L44 PolarHBondContact O-N 3Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.43Å; L44-G47 PolarHBondContact O-N 3.01Å; L44-V48 HydrophobicContact CD2-CG2 4.42Å; L44-V48 WeakPolarHBondContact O-CG2 3.37Å; L44-V48 PolarHBondContact O-N 2.95Å
45	R	74.1	Confident	70.3	Confident	6 Å²	6	55.7 Å²	55.7	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-47	172.1	-78.9	176.9	82.5	-174	3.3	111.5	D16 L19 L20 L23 E41 G47 V48 L49 C70	D16-R45 IonicContact OD1-CZ 2.75Å; D16-R45 VanDerWaalsContact OD1-CZ 3.3Å; D16-R45 IonicContact OD1-NE 3.61Å; D16-R45 PolarHBondContact OD1-NE 3.17Å; D16-R45 IonicContact OD1-NH2 3.65Å; D16-R45 PolarHBondContact OD1-NH2 3.04Å; D16-R45 IonicContact OD2-CZ 3.6Å; D16-R45 IonicContact OD2-NH2 3.83Å; D16-R45 PolarHBondContact OD2-NH2 3Å; L19-R45 HydrophobicContact CD2-CB 4.21Å; L19-R45 HydrophobicContact CD2-CG 3.54Å; L20-R45 VanDerWaalsContact CD2-CZ 3.46Å; L23-R45 HydrophobicContact CD1-CG 3.82Å; E41-R45 WeakPolarHBondContact O-CB 3.44Å; E41-R45 WeakPolarHBondContact O-CG 3.34Å; E41-R45 PolarHBondContact O-N 3.44Å; R45-G47 PolarHBondContact O-N 3.5Å; R45-V48 PolarHBondContact O-N 3.37Å; R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.47Å; R45-L49 VanDerWaalsContact O-CG 3.3Å; R45-L49 WeakPolarHBondContact O-CG 3.48Å; R45-L49 PolarHBondContact O-N 3.3Å; R45-C70 HydrophobicContact CB-CB 4.42Å
46	L	76.3	Confident	70.1	Confident	34 Å²	34	55.3 Å²	55.3	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-47	178.3	-173.8	130.6	0	0	0	112.2	G42 T43 L44 W50 P67 C70 L71	G42-L46 WeakPolarHBondContact O-CB 3.38Å; G42-L46 PolarHBondContact O-N 3.4Å; T43-L46 PolarHBondContact O-N 3.42Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.43Å; L46-W50 HydrophobicContact CD2-CE3 4.06Å; L46-W50 HydrophobicContact CD2-CZ3 4.5Å; L46-W50 WeakPolarHBondContact O-CB 3.43Å; L46-W50 PolarHBondContact O-N 3.31Å; L46-P67 VanDerWaalsContact CD1-CA 3.48Å; L46-P67 HydrophobicContact CD1-CB 3.89Å; L46-P67 HydrophobicContact CD1-CG 4.12Å; L46-C70 HydrophobicContact CB-CB 4.01Å; L46-C70 HydrophobicContact CD1-CB 4.29Å; L46-L71 HydrophobicContact CD1-CD1 4.12Å; L46-L71 HydrophobicContact CD1-CG 4.34Å
47	G	72.6	Confident	69.6	Low	42 Å²	42	54.6 Å²	54.6	43%	0.433	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-45.1	-179.4	0	0	0	0	0	113.2	T43 L44 R45 G51	T43-G47 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 3.01Å; R45-G47 PolarHBondContact O-N 3.5Å; G47-G51 PolarHBondContact O-N 3Å
48	V	72.9	Confident	69.2	Low	60 Å²	60	57.3 Å²	57.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-70.7	-44.9	-178.3	-179.6	0	0	0	0	111.4	L19 L44 R45 W50 G51 L52	L19-V48 HydrophobicContact CD1-CB 3.8Å; L19-V48 HydrophobicContact CD1-CG1 3.33Å; L19-V48 HydrophobicContact CD1-CG2 4.49Å; L44-V48 HydrophobicContact CD2-CG2 4.42Å; L44-V48 WeakPolarHBondContact O-CG2 3.37Å; L44-V48 PolarHBondContact O-N 2.95Å; R45-V48 PolarHBondContact O-N 3.37Å; V48-W50 VanDerWaalsContact C-N 3.3Å; V48-W50 PolarHBondContact O-N 3.14Å; V48-G51 PolarHBondContact O-N 2.92Å; V48-L52 HydrophobicContact CG1-CD1 3.95Å; V48-L52 HydrophobicContact CG1-CG 4.48Å; V48-L52 WeakPolarHBondContact O-CG 3.31Å; V48-L52 PolarHBondContact O-N 3.2Å
49	L	71.8	Confident	68.5	Low	3 Å²	3	59.7 Å²	59.7	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-36.6	177.5	-70.8	170.1	0	0	0	111.6	V15 D16 R45 L52 L53 L66	V15-L49 HydrophobicContact CG1-CD2 3.81Å; D16-L49 HydrophobicContact CB-CD1 4.37Å; D16-L49 HydrophobicContact CB-CD2 4.43Å; R45-L49 VanDerWaalsContact O-CB 3.31Å; R45-L49 WeakPolarHBondContact O-CB 3.47Å; R45-L49 VanDerWaalsContact O-CG 3.3Å; R45-L49 WeakPolarHBondContact O-CG 3.48Å; R45-L49 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 2.88Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 WeakPolarHBondContact O-CD1 3.22Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 3.14Å; L49-L66 HydrophobicContact CB-CD1 3.99Å; L49-L66 HydrophobicContact CB-CD2 3.81Å; L49-L66 HydrophobicContact CB-CG 4.16Å
50	W	72.8	Confident	67.5	Low	116 Å²	116	67.1 Å²	67.1	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-45.4	176.4	-169.2	-49.4	0	0	0	110.8	L46 V48 L53 K54 L59 L66	L46-W50 HydrophobicContact CD2-CE3 4.06Å; L46-W50 HydrophobicContact CD2-CZ3 4.5Å; L46-W50 WeakPolarHBondContact O-CB 3.43Å; L46-W50 PolarHBondContact O-N 3.31Å; V48-W50 VanDerWaalsContact C-N 3.3Å; V48-W50 PolarHBondContact O-N 3.14Å; W50-L53 PolarHBondContact O-N 3.48Å; W50-K54 WeakPolarHBondContact O-CB 3.45Å; W50-K54 PolarHBondContact O-N 3.46Å; W50-L59 HydrophobicContact CG-CD1 4.46Å; W50-L66 HydrophobicContact CB-CD2 3.78Å; W50-L66 VanDerWaalsContact N-CD2 3.32Å
51	G	68.3	Low	66.6	Low	35 Å²	35	69.4 Å²	69.4	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-58.1	-48.3	176	0	0	0	0	0	112.4	G47 V48 K54 V55	G47-G51 PolarHBondContact O-N 3Å; V48-G51 PolarHBondContact O-N 2.92Å; G51-K54 PolarHBondContact O-N 3.5Å; G51-V55 WeakPolarHBondContact O-CG2 3.28Å; G51-V55 PolarHBondContact O-N 3.16Å
52	L	68.3	Low	65.7	Low	95 Å²	95	69.1 Å²	69.1	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-41.7	179.5	-70.9	169.1	0	0	0	112.6	V15 V48 L49 K54 V55 G56	V15-L52 HydrophobicContact CG1-CD1 3.96Å; V48-L52 HydrophobicContact CG1-CD1 3.95Å; V48-L52 HydrophobicContact CG1-CG 4.48Å; V48-L52 WeakPolarHBondContact O-CG 3.31Å; V48-L52 PolarHBondContact O-N 3.2Å; L49-L52 PolarHBondContact O-N 2.88Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-V55 PolarHBondContact O-N 3.27Å; L52-G56 PolarHBondContact O-N 2.99Å
53	L	66.4	Low	65	Low	20 Å²	20	69.7 Å²	69.7	11%	0.105	39%	0.394	C	S	.	.	H	α-helix	trans	-70.2	-28.1	177.8	-78.7	157.7	0	0	0	113.4	L12 L49 W50 G57 L58 L59 L66	L12-L53 HydrophobicContact CD1-CD1 3.81Å; L12-L53 HydrophobicContact CD1-CD2 4.1Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 WeakPolarHBondContact O-CD1 3.22Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 3.14Å; W50-L53 PolarHBondContact O-N 3.48Å; L53-G57 PolarHBondContact O-N 3.03Å; L53-L58 HydrophobicContact CD2-CB 3.87Å; L53-L58 PolarHBondContact O-N 2.91Å; L53-L59 HydrophobicContact CB-CD1 3.91Å; L53-L59 PolarHBondContact O-N 2.83Å; L53-L66 HydrophobicContact CD1-CD1 3.27Å; L53-L66 HydrophobicContact CD1-CD2 4.15Å; L53-L66 HydrophobicContact CD1-CG 4.32Å
54	K	66.5	Low	64.3	Low	149 Å²	149	71.2 Å²	71.2	65%	0.648	40%	0.404	S	S	*	.	H	α-helix	trans	-69.9	-39.7	174.1	-169.1	177.6	178.7	-177.1	0	111.3	W50 G51 L52 L59	W50-K54 WeakPolarHBondContact O-CB 3.45Å; W50-K54 PolarHBondContact O-N 3.46Å; G51-K54 PolarHBondContact O-N 3.5Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.86Å; K54-L59 HydrophobicContact CB-CD1 4.18Å
55	V	68.6	Low	63.6	Low	133 Å²	133	70.2 Å²	70.2	81%	0.806	40%	0.396	S	S	*	.	H	α-helix	trans	-70.5	-36.3	176.1	176.7	0	0	0	0	111.3	G51 L52 G57	G51-V55 WeakPolarHBondContact O-CG2 3.28Å; G51-V55 PolarHBondContact O-N 3.16Å; L52-V55 PolarHBondContact O-N 3.27Å; V55-G57 PolarHBondContact O-N 3.28Å
56	G	59.8	Low	63.1	Low	52 Å²	52	70 Å²	70	54%	0.536	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.6	179.8	0	0	0	0	0	116.6	L52 L58	L52-G56 PolarHBondContact O-N 2.99Å; G56-L58 PolarHBondContact O-N 3.02Å
57	G	56.1	Low	62.6	Low	66 Å²	66	70.7 Å²	70.7	68%	0.68	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-0.1	177.6	0	0	0	0	0	116.5	L53 V55	L53-G57 PolarHBondContact O-N 3.03Å; V55-G57 PolarHBondContact O-N 3.28Å
58	L	57.1	Low	62.1	Low	63 Å²	63	71.4 Å²	71.4	33%	0.33	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.2	-177.1	-85.1	151.3	0	0	0	114	P8 L53 G56 R60 L61 V62	P8-L58 HydrophobicContact CB-CD2 3.83Å; L53-L58 HydrophobicContact CD2-CB 3.87Å; L53-L58 PolarHBondContact O-N 2.91Å; G56-L58 PolarHBondContact O-N 3.02Å; L58-R60 VanDerWaalsContact C-N 3.25Å; L58-R60 PolarHBondContact O-N 2.9Å; L58-L61 HydrophobicContact CD2-CD1 4.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-V62 PolarHBondContact O-N 3.05Å
59	L	55.5	Low	61.7	Low	54 Å²	54	69 Å²	69	28%	0.283	38%	0.381	S	S	.	.	H	α-helix	trans	-57.1	-34.2	-176.6	-155.7	86.5	0	0	0	113.4	W50 L53 K54 L61 G63	W50-L59 HydrophobicContact CG-CD1 4.46Å; L53-L59 HydrophobicContact CB-CD1 3.91Å; L53-L59 PolarHBondContact O-N 2.83Å; K54-L59 HydrophobicContact CB-CD1 4.18Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å; L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.31Å; L59-G63 PolarHBondContact O-N 2.87Å
60	R	50.2	Low	61.4	Low	250 Å²	250	69 Å²	69	94%	0.943	38%	0.381	S	S	*	.	H	α-helix	trans	-69.6	-24.8	178.6	-79.5	-174.9	179.1	176.4	0.5	113.8	L58	L58-R60 VanDerWaalsContact C-N 3.25Å; L58-R60 PolarHBondContact O-N 2.9Å
61	L	52.5	Low	61.2	Low	126 Å²	126	65.2 Å²	65.2	66%	0.66	37%	0.369	S	S	*	.	H	α-helix	trans	-94.2	-34.4	-176.6	-100.1	151.7	0	0	0	112.5	L58 L59	L58-L61 HydrophobicContact CD2-CD1 4.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å
62	V	54.4	Low	61.1	Low	5 Å²	5	65.3 Å²	65.3	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-124.3	-10.8	-170.4	-159.9	0	0	0	0	113.7	L12 L58 T64 F65 L66	L12-V62 HydrophobicContact CD1-CB 4.18Å; L12-V62 HydrophobicContact CD1-CG1 3.41Å; L12-V62 VanDerWaalsContact CD1-CG1 3.41Å; L58-V62 PolarHBondContact O-N 3.05Å; V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 PolarHBondContact O-N 2.87Å; V62-F65 PolarHBondContact O-N 3.4Å; V62-L66 PolarHBondContact O-N 2.86Å
63	G	55.4	Low	60.9	Low	15 Å²	15	61.5 Å²	61.5	16%	0.155	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.1	-174.5	0	0	0	0	0	115.1	L59 F65	L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.31Å; L59-G63 PolarHBondContact O-N 2.87Å; G63-F65 PolarHBondContact O-N 3.35Å
64	T	57.4	Low	60.8	Low	103 Å²	103	60.8 Å²	60.8	63%	0.632	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.6	174.7	45.9	0	0	0	0	113.4	V62	V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 PolarHBondContact O-N 2.87Å
65	F	58.8	Low	60.6	Low	47 Å²	47	57.5 Å²	57.5	21%	0.206	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-11.8	-170.1	-57.8	-63.1	0	0	0	114	W9 V62 G63 P67 L68 L69 L113 W116	W9-F65 HydrophobicContact CH2-CB 4.42Å; V62-F65 PolarHBondContact O-N 3.4Å; G63-F65 PolarHBondContact O-N 3.35Å; F65-P67 VanDerWaalsContact C-CD 3.49Å; F65-L68 PolarHBondContact O-N 3.1Å; F65-L69 PolarHBondContact O-N 3.27Å; F65-L113 HydrophobicContact CB-CD2 3.96Å; F65-L113 HydrophobicContact CD1-CD2 3.42Å; F65-L113 VanDerWaalsContact CD1-CD2 3.42Å; F65-L113 HydrophobicContact CE1-CD2 4.08Å; F65-L113 HydrophobicContact CG-CD2 3.77Å; F65-W116 AromaticContact CE1-CD1 3.49Å; F65-W116 VanDerWaalsContact CE1-CD1 3.49Å; F65-W116 HydrophobicContact CE1-CG 4.3Å; F65-W116 AromaticContact CE1-NE1 3.8Å
66	L	64.2	Low	60.5	Low	3 Å²	3	56.2 Å²	56.2	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-40.9	176.4	-144.1	76.6	0	0	0	114.3	L12 L49 W50 L53 V62 L69 C70	L12-L66 HydrophobicContact CD1-CD1 4.17Å; L49-L66 HydrophobicContact CB-CD1 3.99Å; L49-L66 HydrophobicContact CB-CD2 3.81Å; L49-L66 HydrophobicContact CB-CG 4.16Å; W50-L66 HydrophobicContact CB-CD2 3.78Å; W50-L66 VanDerWaalsContact N-CD2 3.32Å; L53-L66 HydrophobicContact CD1-CD1 3.27Å; L53-L66 HydrophobicContact CD1-CD2 4.15Å; L53-L66 HydrophobicContact CD1-CG 4.32Å; V62-L66 PolarHBondContact O-N 2.86Å; L66-L69 PolarHBondContact O-N 3.45Å; L66-C70 PolarHBondContact O-N 2.8Å; L66-C70 VanDerWaalsContact O-N 3.15Å; L66-C70 PolarHBondContact O-SG 3.25Å
67	P	65.9	Low	60.7	Low	47 Å²	47	55.7 Å²	55.7	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-37.2	176.8	-19.5	33.3	0	0	0	113.1	L46 F65 C70 L71	L46-P67 VanDerWaalsContact CD1-CA 3.48Å; L46-P67 HydrophobicContact CD1-CB 3.89Å; L46-P67 HydrophobicContact CD1-CG 4.12Å; F65-P67 VanDerWaalsContact C-CD 3.49Å; P67-C70 PolarHBondContact O-N 3.41Å; P67-L71 HydrophobicContact CB-CD1 4.32Å; P67-L71 WeakPolarHBondContact O-CB 3.44Å; P67-L71 WeakPolarHBondContact O-CG 3.31Å; P67-L71 PolarHBondContact O-N 3.01Å
68	L	60.7	Low	61.1	Low	58 Å²	58	53.8 Å²	53.8	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.3	-108.6	123.5	0	0	0	110.8	F65 C70 T72	F65-L68 PolarHBondContact O-N 3.1Å; L68-C70 VanDerWaalsContact C-N 3.35Å; L68-C70 PolarHBondContact O-N 2.93Å; L68-T72 HydrophobicContact CD2-CG2 4.31Å; L68-T72 WeakPolarHBondContact O-CB 3.42Å; L68-T72 WeakPolarHBondContact O-CG2 3.38Å; L68-T72 PolarHBondContact O-N 3.12Å; L68-T72 PolarHBondContact O-OG1 3.22Å
69	L	64.7	Low	60.9	Low	9 Å²	9	55.9 Å²	55.9	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-33	-178.5	-169.5	140.3	0	0	0	113.3	L12 L13 D16 F65 L66 V109	L12-L69 HydrophobicContact CD2-CD1 4.45Å; L13-L69 HydrophobicContact CD2-CD1 4.44Å; D16-L69 WeakPolarHBondContact OD2-CD2 3.36Å; F65-L69 PolarHBondContact O-N 3.27Å; L66-L69 PolarHBondContact O-N 3.45Å; L69-V109 HydrophobicContact CB-CG1 4.29Å; L69-V109 HydrophobicContact CD1-CG1 4.15Å; L69-V109 HydrophobicContact CG-CG1 4.35Å
70	C	65.1	Low	61	Low	4 Å²	4	59.7 Å²	59.7	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-91.5	-24.4	-176.5	-59.2	0	0	0	0	114.1	G42 R45 L46 L66 P67 L68	G42-C70 WeakPolarHBondContact CA-O 3.39Å; R45-C70 HydrophobicContact CB-CB 4.42Å; L46-C70 HydrophobicContact CB-CB 4.01Å; L46-C70 HydrophobicContact CD1-CB 4.29Å; L66-C70 PolarHBondContact O-N 2.8Å; L66-C70 VanDerWaalsContact O-N 3.15Å; L66-C70 PolarHBondContact O-SG 3.25Å; P67-C70 PolarHBondContact O-N 3.41Å; L68-C70 VanDerWaalsContact C-N 3.35Å; L68-C70 PolarHBondContact O-N 2.93Å
71	L	68.6	Low	61.4	Low	35 Å²	35	50.6 Å²	50.6	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-112.8	-8.5	-170.3	-57.5	171.9	0	0	0	114.4	W39 T43 L46 P67 N73 P74 L75	W39-L71 HydrophobicContact CE3-CD2 4.44Å; W39-L71 HydrophobicContact CZ3-CD2 4.31Å; T43-L71 HydrophobicContact CG2-CD2 4.46Å; L46-L71 HydrophobicContact CD1-CD1 4.12Å; L46-L71 HydrophobicContact CD1-CG 4.34Å; P67-L71 HydrophobicContact CB-CD1 4.32Å; P67-L71 WeakPolarHBondContact O-CB 3.44Å; P67-L71 WeakPolarHBondContact O-CG 3.31Å; P67-L71 PolarHBondContact O-N 3.01Å; L71-N73 PolarHBondContact O-N 3.05Å; L71-P74 HydrophobicContact CB-CG 4.5Å; L71-P74 HydrophobicContact CD2-CG 4.37Å; L71-P74 VanDerWaalsContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CD 3.39Å; L71-P74 WeakPolarHBondContact O-CG 3.31Å; L71-L75 HydrophobicContact CB-CD1 4.26Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.3Å; L71-L75 WeakPolarHBondContact O-CD1 3.38Å; L71-L75 VanDerWaalsContact O-CG 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.13Å; L71-L75 PolarHBondContact O-N 3.08Å
72	T	67.4	Low	61.4	Low	37 Å²	37	51.7 Å²	51.7	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-48.4	176.8	39.5	0	0	0	0	112.9	L68 L75 F76 V109	L68-T72 HydrophobicContact CD2-CG2 4.31Å; L68-T72 WeakPolarHBondContact O-CB 3.42Å; L68-T72 WeakPolarHBondContact O-CG2 3.38Å; L68-T72 PolarHBondContact O-N 3.12Å; L68-T72 PolarHBondContact O-OG1 3.22Å; T72-L75 PolarHBondContact O-N 2.8Å; T72-F76 VanDerWaalsContact O-CB 3.24Å; T72-F76 WeakPolarHBondContact O-CB 3.43Å; T72-F76 PolarHBondContact O-N 3Å; T72-V109 HydrophobicContact CG2-CG2 4.44Å
73	N	63.1	Low	61.2	Low	16 Å²	16	57.2 Å²	57.2	9%	0.086	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-53.1	178	-83.7	-40.8	0	0	0	113.7	L71 L75 F76 F77 V94 D105	L71-N73 PolarHBondContact O-N 3.05Å; N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.44Å; N73-F76 PolarHBondContact O-N 2.9Å; N73-F77 WeakPolarHBondContact O-CD2 3.42Å; N73-F77 PolarHBondContact O-N 2.95Å; N73-V94 HydrophobicContact CB-CG2 4.04Å; N73-D105 PolarHBondContact ND2-OD1 3.08Å; N73-D105 PolarHBondContact ND2-OD2 3.42Å; N73-D105 PolarHBondContact OD1-OD1 3.4Å
74	P	65.3	Low	60.7	Low	4 Å²	4	58.8 Å²	58.8	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-35	178	19.1	-28.3	0	0	0	112.1	L38 W39 L71 S78	L38-P74 HydrophobicContact CB-CB 4.32Å; W39-P74 HydrophobicContact CD2-CB 4Å; W39-P74 HydrophobicContact CG-CB 4.04Å; L71-P74 HydrophobicContact CB-CG 4.5Å; L71-P74 HydrophobicContact CD2-CG 4.37Å; L71-P74 VanDerWaalsContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CD 3.39Å; L71-P74 WeakPolarHBondContact O-CG 3.31Å; P74-S78 VanDerWaalsContact O-CB 3.24Å; P74-S78 WeakPolarHBondContact O-CB 3.35Å; P74-S78 PolarHBondContact O-N 2.93Å; P74-S78 PolarHBondContact O-OG 3.34Å
75	L	62.8	Low	60.2	Low	81 Å²	81	59.2 Å²	59.2	42%	0.424	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-45.4	172.8	-79.3	164.8	0	0	0	112.5	W39 L71 T72 N73 S78 L79	W39-L75 HydrophobicContact CH2-CD2 3.85Å; W39-L75 HydrophobicContact CH2-CG 4.04Å; W39-L75 HydrophobicContact CZ2-CD2 3.98Å; W39-L75 HydrophobicContact CZ2-CG 4.21Å; L71-L75 HydrophobicContact CB-CD1 4.26Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.3Å; L71-L75 WeakPolarHBondContact O-CD1 3.38Å; L71-L75 VanDerWaalsContact O-CG 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.13Å; L71-L75 PolarHBondContact O-N 3.08Å; T72-L75 PolarHBondContact O-N 2.8Å; N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.44Å; L75-S78 PolarHBondContact O-N 2.93Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.09Å
76	F	65.9	Low	59.6	Low	105 Å²	105	62.7 Å²	62.7	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-47.1	179.5	176.7	-102	0	0	0	112.1	T72 N73 S78 L79 R80	T72-F76 VanDerWaalsContact O-CB 3.24Å; T72-F76 WeakPolarHBondContact O-CB 3.43Å; T72-F76 PolarHBondContact O-N 3Å; N73-F76 PolarHBondContact O-N 2.9Å; F76-S78 VanDerWaalsContact C-N 3.35Å; F76-L79 PolarHBondContact O-N 3.33Å; F76-R80 VanDerWaalsContact O-CB 3.23Å; F76-R80 WeakPolarHBondContact O-CB 3.34Å; F76-R80 PolarHBondContact O-N 3.15Å
77	F	64.1	Low	58.3	Low	42 Å²	42	70 Å²	70	18%	0.184	40%	0.396	C	S	.	.	H	α-helix	trans	-69.7	-31.2	177.4	-78.2	-74.5	0	0	0	112.8	L35 L38 N73 A81 W101	L35-F77 HydrophobicContact CD2-CB 4.12Å; L38-F77 HydrophobicContact CD1-CB 4.36Å; L38-F77 HydrophobicContact CD1-CD2 4.45Å; N73-F77 WeakPolarHBondContact O-CD2 3.42Å; N73-F77 PolarHBondContact O-N 2.95Å; F77-A81 WeakPolarHBondContact O-CB 3.35Å; F77-A81 PolarHBondContact O-N 3.35Å; F77-W101 HydrophobicContact CE2-CZ3 4.43Å; F77-W101 HydrophobicContact CZ-CH2 4.05Å; F77-W101 HydrophobicContact CZ-CZ3 4.08Å
78	S	64	Low	57.1	Low	25 Å²	25	73.9 Å²	73.9	18%	0.175	42%	0.424	C	S	.	.	H	α-helix	trans	-69	-43.5	173.6	-57.2	0	0	0	0	111.8	W39 P74 L75 F76 A81 L82	W39-S78 PolarHBondContact NE1-OG 3.28Å; P74-S78 VanDerWaalsContact O-CB 3.24Å; P74-S78 WeakPolarHBondContact O-CB 3.35Å; P74-S78 PolarHBondContact O-N 2.93Å; P74-S78 PolarHBondContact O-OG 3.34Å; L75-S78 PolarHBondContact O-N 2.93Å; F76-S78 VanDerWaalsContact C-N 3.35Å; S78-A81 PolarHBondContact O-N 2.95Å; S78-L82 PolarHBondContact O-N 3.46Å; S78-L82 VanDerWaalsContact O-N 3.15Å
79	L	52.8	Low	56.3	Low	107 Å²	107	76.3 Å²	76.3	56%	0.56	44%	0.441	S	S	*	.	H	α-helix	trans	-66.4	-38.6	175.3	-76.1	164.5	0	0	0	111.8	L75 F76 L82 V83	L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.09Å; F76-L79 PolarHBondContact O-N 3.33Å; L79-L82 WeakPolarHBondContact O-CB 3.44Å; L79-L82 PolarHBondContact O-N 3.01Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 2.86Å; L79-V83 VanDerWaalsContact O-N 3.16Å
80	R	58.4	Low	55.3	Low	134 Å²	134	80.5 Å²	80.5	51%	0.506	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-38.6	175.4	-172.6	176.3	178.9	165.6	1.4	112.4	F76 L82 V83 G84	F76-R80 VanDerWaalsContact O-CB 3.23Å; F76-R80 WeakPolarHBondContact O-CB 3.34Å; F76-R80 PolarHBondContact O-N 3.15Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.23Å; R80-V83 PolarHBondContact O-N 3.32Å; R80-G84 PolarHBondContact O-N 2.93Å; R80-G84 VanDerWaalsContact O-N 3.1Å
81	A	57.4	Low	54.6	Low	60 Å²	60	83.6 Å²	83.6	50%	0.496	49%	0.49	S	S	.	.	H	α-helix	trans	-66.3	-28.8	174.2	0	0	0	0	0	112.8	L35 F77 S78	L35-A81 HydrophobicContact CD1-CB 4.17Å; F77-A81 WeakPolarHBondContact O-CB 3.35Å; F77-A81 PolarHBondContact O-N 3.35Å; S78-A81 PolarHBondContact O-N 2.95Å
82	L	52.1	Low	53.9	Low	148 Å²	148	85.5 Å²	85.5	78%	0.775	50%	0.503	S	S	*	.	H	α-helix	trans	-74.8	-26.5	173.8	-99	146.6	0	0	0	113.5	S78 L79 R80	S78-L82 PolarHBondContact O-N 3.46Å; S78-L82 VanDerWaalsContact O-N 3.15Å; L79-L82 WeakPolarHBondContact O-CB 3.44Å; L79-L82 PolarHBondContact O-N 3.01Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.23Å
83	V	50.2	Low	53.6	Low	121 Å²	121	87.9 Å²	87.9	73%	0.733	51%	0.508	S	S	*	.	H	α-helix	trans	-100.5	-19.8	-172.6	174.3	0	0	0	0	113.6	L79 R80	L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 2.86Å; L79-V83 VanDerWaalsContact O-N 3.16Å; R80-V83 PolarHBondContact O-N 3.32Å
84	G	46.1	Very low	53.2	Low	48 Å²	48	87.8 Å²	87.8	50%	0.495	51%	0.508	S	S	.	.			trans	-125.3	111.1	-177.1	0	0	0	0	0	113.8	R80	R80-G84 PolarHBondContact O-N 2.93Å; R80-G84 VanDerWaalsContact O-N 3.1Å
85	S	46.6	Very low	52.7	Low	112 Å²	112	88.3 Å²	88.3	78%	0.783	51%	0.512	S	S	*	.	S	Bend	trans	-84.5	128	153.6	60.5	0	0	0	0	107.8
86	T	45.2	Very low	52.4	Low	121 Å²	121	87.6 Å²	87.6	74%	0.742	51%	0.514	S	S	*	.			trans	86.9	90.8	-176.9	75.6	0	0	0	0	116.2
87	M	38	Very low	52.1	Low	156 Å²	156	83.9 Å²	83.9	77%	0.768	50%	0.502	S	S	*	.			trans	-175.4	112.9	135.7	-91.1	-49	103.9	0	0	108	T89	M87-T89 VanDerWaalsContact C-N 3.31Å; M87-T89 PolarHBondContact O-N 2.7Å
88	S	40.6	Very low	51.9	Low	128 Å²	128	85.6 Å²	85.6	90%	0.895	52%	0.52	S	S	*	.			trans	-80.1	67.6	180	56.6	0	0	0	0	111.8
89	T	43.1	Very low	51.6	Low	109 Å²	109	93.1 Å²	93.1	67%	0.669	55%	0.545	S	S	*	.			trans	-96.9	122	163.3	46.9	0	0	0	0	108.8	M87 V91	M87-T89 VanDerWaalsContact C-N 3.31Å; M87-T89 PolarHBondContact O-N 2.7Å; T89-V91 PolarHBondContact O-N 2.86Å
90	S	44.9	Very low	51.6	Low	98 Å²	98	90.4 Å²	90.4	69%	0.685	54%	0.542	S	S	*	.			trans	-49.8	125.8	177.5	49.9	0	0	0	0	110.1	V92	S90-V92 WeakPolarHBondContact O-CG2 3.41Å; S90-V92 PolarHBondContact O-N 3.28Å
91	V	50.7	Low	51.8	Low	69 Å²	69	90.3 Å²	90.3	42%	0.418	54%	0.542	S	S	.	.			trans	-60.9	98.4	174.4	-179.3	0	0	0	0	108.1	L38 T89	L38-V91 HydrophobicContact CD1-CG1 3.33Å; L38-V91 HydrophobicContact CG-CG1 4.1Å; T89-V91 PolarHBondContact O-N 2.86Å
92	V	54.3	Low	51.9	Low	74 Å²	74	88.4 Å²	88.4	45%	0.448	52%	0.524	S	S	.	.			trans	-78.2	128.8	179.6	-177.9	0	0	0	0	108.1	S90 S96	S90-V92 WeakPolarHBondContact O-CG2 3.41Å; S90-V92 PolarHBondContact O-N 3.28Å; V92-S96 VanDerWaalsContact CG1-OG 3.26Å; V92-S96 WeakPolarHBondContact CG1-OG 2.98Å
93	R	59.6	Low	52.3	Low	88 Å²	88	86.7 Å²	86.7	33%	0.332	52%	0.515	S	S	.	.			trans	-62.3	144.8	175.4	-66.5	174.4	178.9	168.2	-10.3	109.8	G28 L31 A95 S96 A97	G28-R93 PolarHBondContact O-NH1 3.19Å; G28-R93 PolarHBondContact O-NH2 3.18Å; L31-R93 PolarHBondContact O-NH2 3.12Å; R93-A95 PolarHBondContact O-N 3.02Å; R93-S96 PolarHBondContact N-OG 3.07Å; R93-S96 WeakPolarHBondContact O-CA 3.4Å; R93-S96 PolarHBondContact O-N 3.49Å; R93-S96 PolarHBondContact O-OG 3.27Å; R93-A97 PolarHBondContact O-N 2.91Å
94	V	55.4	Low	52.8	Low	14 Å²	14	83.8 Å²	83.8	9%	0.085	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-61.2	-37.2	-179.7	-179.6	0	0	0	0	110.5	L20 L38 N73 S96 A97 L102	L20-V94 HydrophobicContact CD2-CG1 4.33Å; L38-V94 HydrophobicContact CD2-CG2 4.15Å; N73-V94 HydrophobicContact CB-CG2 4.04Å; V94-S96 PolarHBondContact O-N 3.13Å; V94-S96 VanDerWaalsContact O-N 3.15Å; V94-A97 WeakPolarHBondContact O-CB 3.45Å; V94-A97 PolarHBondContact O-N 3.18Å; V94-L102 HydrophobicContact CG1-CD2 4.11Å
95	A	55.5	Low	53.5	Low	15 Å²	15	82.4 Å²	82.4	12%	0.124	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.3	171.8	0	0	0	0	0	115.8	L20 Q24 E41 R93	L20-A95 HydrophobicContact CD2-CB 4.26Å; Q24-A95 HydrophobicContact CB-CB 4.24Å; Q24-A95 WeakPolarHBondContact CG-O 3.33Å; Q24-A95 PolarHBondContact NE2-O 3.46Å; Q24-A95 PolarHBondContact OE1-O 3.14Å; E41-A95 WeakPolarHBondContact OE1-CB 3.49Å; E41-A95 PolarHBondContact OE1-N 3.49Å; E41-A95 VanDerWaalsContact OE1-N 3.11Å; R93-A95 PolarHBondContact O-N 3.02Å
96	S	54.9	Low	54.3	Low	65 Å²	65	78.9 Å²	78.9	46%	0.455	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-112.8	6.2	177.8	57.6	0	0	0	0	113.6	V92 R93 V94	V92-S96 VanDerWaalsContact CG1-OG 3.26Å; V92-S96 WeakPolarHBondContact CG1-OG 2.98Å; R93-S96 PolarHBondContact N-OG 3.07Å; R93-S96 WeakPolarHBondContact O-CA 3.4Å; R93-S96 PolarHBondContact O-N 3.49Å; R93-S96 PolarHBondContact O-OG 3.27Å; V94-S96 PolarHBondContact O-N 3.13Å; V94-S96 VanDerWaalsContact O-N 3.15Å
97	A	59.8	Low	55	Low	27 Å²	27	74.9 Å²	74.9	22%	0.223	44%	0.437	C	S	.	.			trans	-71.2	144.2	-178.8	0	0	0	0	0	111.6	R93 V94 W101 L102	R93-A97 PolarHBondContact O-N 2.91Å; V94-A97 WeakPolarHBondContact O-CB 3.45Å; V94-A97 PolarHBondContact O-N 3.18Å; A97-W101 HydrophobicContact CB-CB 4.09Å; A97-L102 HydrophobicContact CB-CG 4.29Å
98	S	60.7	Low	56	Low	78 Å²	78	70.1 Å²	70.1	55%	0.545	42%	0.423	S	S	.	.			trans	-64.1	152.4	173.9	63.9	0	0	0	0	110.8	G100 W101 L102	S98-G100 PolarHBondContact O-N 2.61Å; S98-W101 PolarHBondContact O-N 2.8Å; S98-L102 PolarHBondContact O-N 3.08Å
99	W	56.5	Low	56.8	Low	184 Å²	184	64.3 Å²	64.3	70%	0.697	38%	0.382	S	S	*	.	H	α-helix	trans	-51.4	-33	-179.6	-95.6	85.7	0	0	0	113.7	L103	W99-L103 WeakPolarHBondContact O-CB 3.37Å; W99-L103 WeakPolarHBondContact O-CG 3.02Å; W99-L103 PolarHBondContact O-N 3.32Å
100	G	54.1	Low	57.2	Low	50 Å²	50	61.7 Å²	61.7	52%	0.515	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-35.5	175.7	0	0	0	0	0	114.1	S98 A104	S98-G100 PolarHBondContact O-N 2.61Å; G100-A104 PolarHBondContact O-N 3.18Å; G100-A104 VanDerWaalsContact O-N 3.09Å
101	W	61.3	Low	57.6	Low	132 Å²	132	62.8 Å²	62.8	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-38.6	176.4	-105.4	85.7	0	0	0	112.2	F77 A97 S98 A104 D105	F77-W101 HydrophobicContact CE2-CZ3 4.43Å; F77-W101 HydrophobicContact CZ-CH2 4.05Å; F77-W101 HydrophobicContact CZ-CZ3 4.08Å; A97-W101 HydrophobicContact CB-CB 4.09Å; S98-W101 PolarHBondContact O-N 2.8Å; W101-A104 PolarHBondContact O-N 2.8Å; W101-D105 PolarHBondContact O-N 3.44Å
102	L	60.2	Low	57.8	Low	20 Å²	20	61.2 Å²	61.2	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.1	173.8	-71.1	169.4	0	0	0	111.1	L20 V94 A97 S98 A104 D105 Y106	L20-L102 HydrophobicContact CD1-CD2 4.15Å; V94-L102 HydrophobicContact CG1-CD2 4.11Å; A97-L102 HydrophobicContact CB-CG 4.29Å; S98-L102 PolarHBondContact O-N 3.08Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 2.02Å; L102-D105 PolarHBondContact O-N 3.05Å; L102-Y106 HydrophobicContact CB-CD2 4.39Å; L102-Y106 HydrophobicContact CB-CE2 4.17Å; L102-Y106 WeakPolarHBondContact O-CD2 3.41Å; L102-Y106 PolarHBondContact O-N 2.77Å
103	L	60.8	Low	57.8	Low	112 Å²	112	58.8 Å²	58.8	59%	0.586	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-38.1	175	-77.6	165.8	0	0	0	112.7	W99 G107	W99-L103 WeakPolarHBondContact O-CB 3.37Å; W99-L103 WeakPolarHBondContact O-CG 3.02Å; W99-L103 PolarHBondContact O-N 3.32Å; L103-G107 PolarHBondContact O-N 2.92Å
104	A	60.3	Low	57.3	Low	60 Å²	60	57.2 Å²	57.2	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-67.3	-39.6	175.8	0	0	0	0	0	112.4	G100 W101 L102 G107 A108	G100-A104 PolarHBondContact O-N 3.18Å; G100-A104 VanDerWaalsContact O-N 3.09Å; W101-A104 PolarHBondContact O-N 2.8Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 2.02Å; A104-G107 PolarHBondContact O-N 3Å; A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.22Å
105	D	60.5	Low	57.1	Low	18 Å²	18	59.3 Å²	59.3	10%	0.096	36%	0.363	C	S	.	.	H	α-helix	trans	-68.4	-47.5	176.5	-175.5	42.8	0	0	0	111.9	N73 W101 L102 G107 A108 V109	N73-D105 PolarHBondContact ND2-OD1 3.08Å; N73-D105 PolarHBondContact ND2-OD2 3.42Å; N73-D105 PolarHBondContact OD1-OD1 3.4Å; W101-D105 PolarHBondContact O-N 3.44Å; L102-D105 PolarHBondContact O-N 3.05Å; D105-G107 PolarHBondContact O-N 3.2Å; D105-A108 PolarHBondContact O-N 3.17Å; D105-A108 VanDerWaalsContact O-N 3.15Å; D105-V109 WeakPolarHBondContact O-CB 3.32Å; D105-V109 VanDerWaalsContact O-CG2 3.31Å; D105-V109 WeakPolarHBondContact O-CG2 3.21Å; D105-V109 PolarHBondContact O-N 2.89Å
106	Y	63.9	Low	56.8	Low	38 Å²	38	65.1 Å²	65.1	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-61.9	-34.2	172.7	-68.9	-58.1	0	0	0	112	L13 D16 L102 A110	L13-Y106 HydrophobicContact CD2-CD1 3.45Å; L13-Y106 VanDerWaalsContact CD2-CD1 3.45Å; L13-Y106 HydrophobicContact CD2-CE1 3.47Å; L13-Y106 VanDerWaalsContact CD2-CE1 3.47Å; L13-Y106 HydrophobicContact CD2-CG 4.27Å; D16-Y106 PolarHBondContact OD2-OH 2.94Å; L102-Y106 HydrophobicContact CB-CD2 4.39Å; L102-Y106 HydrophobicContact CB-CE2 4.17Å; L102-Y106 WeakPolarHBondContact O-CD2 3.41Å; L102-Y106 PolarHBondContact O-N 2.77Å; Y106-A110 WeakPolarHBondContact O-CB 2.78Å; Y106-A110 PolarHBondContact O-N 3.41Å
107	G	61	Low	56.5	Low	37 Å²	37	64.6 Å²	64.6	38%	0.381	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-43.9	172.3	0	0	0	0	0	112.9	L103 A104 D105 A110 L111	L103-G107 PolarHBondContact O-N 2.92Å; A104-G107 PolarHBondContact O-N 3Å; D105-G107 PolarHBondContact O-N 3.2Å; G107-A110 PolarHBondContact O-N 3.41Å; G107-L111 VanDerWaalsContact O-CB 3.31Å; G107-L111 WeakPolarHBondContact O-CB 3.32Å; G107-L111 PolarHBondContact O-N 3.26Å
108	A	58.2	Low	55.9	Low	57 Å²	57	66.2 Å²	66.2	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-39.7	176.6	0	0	0	0	0	111.9	A104 D105 L111 S112	A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.22Å; D105-A108 PolarHBondContact O-N 3.17Å; D105-A108 VanDerWaalsContact O-N 3.15Å; A108-L111 PolarHBondContact O-N 3.33Å; A108-S112 WeakPolarHBondContact O-CB 3.42Å; A108-S112 PolarHBondContact O-N 3.14Å; A108-S112 PolarHBondContact O-OG 3.46Å
109	V	56.8	Low	55	Low	5 Å²	5	65.9 Å²	65.9	3%	0.03	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-47.1	172.5	173.6	0	0	0	0	109.7	L69 T72 D105 L111 S112 L113	L69-V109 HydrophobicContact CB-CG1 4.29Å; L69-V109 HydrophobicContact CD1-CG1 4.15Å; L69-V109 HydrophobicContact CG-CG1 4.35Å; T72-V109 HydrophobicContact CG2-CG2 4.44Å; D105-V109 WeakPolarHBondContact O-CB 3.32Å; D105-V109 VanDerWaalsContact O-CG2 3.31Å; D105-V109 WeakPolarHBondContact O-CG2 3.21Å; D105-V109 PolarHBondContact O-N 2.89Å; V109-L111 VanDerWaalsContact C-N 3.28Å; V109-L111 PolarHBondContact O-N 3.21Å; V109-S112 WeakPolarHBondContact CA-OG 3.47Å; V109-S112 PolarHBondContact O-N 3.32Å; V109-S112 PolarHBondContact O-OG 3.45Å; V109-L113 HydrophobicContact CG1-CD1 3.71Å; V109-L113 HydrophobicContact CG1-CG 4.26Å; V109-L113 VanDerWaalsContact O-CB 3.32Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 WeakPolarHBondContact O-CD1 3.42Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.38Å
110	A	52.8	Low	54.4	Low	55 Å²	55	59.5 Å²	59.5	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-37.4	174.6	0	0	0	0	0	113	Y106 G107 L113 A114	Y106-A110 WeakPolarHBondContact O-CB 2.78Å; Y106-A110 PolarHBondContact O-N 3.41Å; G107-A110 PolarHBondContact O-N 3.41Å; A110-L113 WeakPolarHBondContact O-CB 3.42Å; A110-L113 PolarHBondContact O-N 3.38Å; A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.1Å
111	L	53.2	Low	53.8	Low	121 Å²	121	62.6 Å²	62.6	63%	0.634	38%	0.375	S	S	*	.	H	α-helix	trans	-73.5	-40.2	177.4	-157.3	135.7	0	0	0	111.6	G107 A108 V109 L113 A114 V115	G107-L111 VanDerWaalsContact O-CB 3.31Å; G107-L111 WeakPolarHBondContact O-CB 3.32Å; G107-L111 PolarHBondContact O-N 3.26Å; A108-L111 PolarHBondContact O-N 3.33Å; V109-L111 VanDerWaalsContact C-N 3.28Å; V109-L111 PolarHBondContact O-N 3.21Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.49Å; L111-A114 PolarHBondContact O-N 3.34Å; L111-V115 HydrophobicContact CD2-CG2 4.37Å; L111-V115 WeakPolarHBondContact O-CB 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.47Å; L111-V115 PolarHBondContact O-N 2.79Å
112	S	54	Low	52.8	Low	35 Å²	35	60.2 Å²	60.2	25%	0.245	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-32	171.7	77	0	0	0	0	112.2	A108 V109 W116	A108-S112 WeakPolarHBondContact O-CB 3.42Å; A108-S112 PolarHBondContact O-N 3.14Å; A108-S112 PolarHBondContact O-OG 3.46Å; V109-S112 WeakPolarHBondContact CA-OG 3.47Å; V109-S112 PolarHBondContact O-N 3.32Å; V109-S112 PolarHBondContact O-OG 3.45Å; S112-W116 VanDerWaalsContact O-CB 3.27Å; S112-W116 WeakPolarHBondContact O-CB 3.49Å; S112-W116 PolarHBondContact O-N 3.31Å
113	L	54.3	Low	51.7	Low	24 Å²	24	62.2 Å²	62.2	13%	0.126	41%	0.409	C	S	.	.	H	α-helix	trans	-73.6	-40.4	174.6	-73	163.3	0	0	0	111.6	W9 F65 V109 A110 L111 V115 W116 A117	W9-L113 HydrophobicContact CH2-CD1 3.21Å; W9-L113 HydrophobicContact CH2-CD2 3.79Å; W9-L113 HydrophobicContact CH2-CG 4.11Å; W9-L113 HydrophobicContact CZ2-CD1 4.24Å; W9-L113 HydrophobicContact CZ2-CD2 4.43Å; W9-L113 HydrophobicContact CZ3-CD1 3.41Å; W9-L113 VanDerWaalsContact CZ3-CD1 3.41Å; F65-L113 HydrophobicContact CB-CD2 3.96Å; F65-L113 HydrophobicContact CD1-CD2 3.42Å; F65-L113 VanDerWaalsContact CD1-CD2 3.42Å; F65-L113 HydrophobicContact CE1-CD2 4.08Å; F65-L113 HydrophobicContact CG-CD2 3.77Å; V109-L113 HydrophobicContact CG1-CD1 3.71Å; V109-L113 HydrophobicContact CG1-CG 4.26Å; V109-L113 VanDerWaalsContact O-CB 3.32Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 WeakPolarHBondContact O-CD1 3.42Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.38Å; A110-L113 WeakPolarHBondContact O-CB 3.42Å; A110-L113 PolarHBondContact O-N 3.38Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.49Å; L113-V115 VanDerWaalsContact C-N 3.32Å; L113-W116 PolarHBondContact O-N 3.16Å; L113-A117 WeakPolarHBondContact O-CB 3.44Å; L113-A117 PolarHBondContact O-N 3.48Å
114	A	49.8	Very low	50.2	Low	55 Å²	55	61.8 Å²	61.8	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-44.7	171.5	0	0	0	0	0	110.1	A110 L111 A117 V118	A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.1Å; L111-A114 PolarHBondContact O-N 3.34Å; A114-A117 PolarHBondContact O-N 3.12Å; A114-V118 VanDerWaalsContact O-CB 3.25Å; A114-V118 WeakPolarHBondContact O-CB 3.38Å; A114-V118 WeakPolarHBondContact O-CG2 3.35Å; A114-V118 PolarHBondContact O-N 2.83Å
115	V	49.8	Very low	48.8	Very low	57 Å²	57	67.5 Å²	67.5	35%	0.345	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-42	175.3	169.8	0	0	0	0	111.2	L111 L113 V118 L119	L111-V115 HydrophobicContact CD2-CG2 4.37Å; L111-V115 WeakPolarHBondContact O-CB 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.47Å; L111-V115 PolarHBondContact O-N 2.79Å; L113-V115 VanDerWaalsContact C-N 3.32Å; V115-V118 CarbonylContact O-C 3.51Å; V115-V118 PolarHBondContact O-N 2.88Å; V115-L119 HydrophobicContact CG1-CD1 3.47Å; V115-L119 VanDerWaalsContact CG1-CD1 3.47Å; V115-L119 HydrophobicContact CG1-CG 4.18Å; V115-L119 VanDerWaalsContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 3.29Å
116	W	50.8	Low	47.4	Very low	138 Å²	138	75.8 Å²	75.8	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-70.1	-39.2	176.7	-174.7	-85.3	0	0	0	112.9	F65 S112 L113 V118 L119 S120	F65-W116 AromaticContact CE1-CD1 3.49Å; F65-W116 VanDerWaalsContact CE1-CD1 3.49Å; F65-W116 HydrophobicContact CE1-CG 4.3Å; F65-W116 AromaticContact CE1-NE1 3.8Å; S112-W116 VanDerWaalsContact O-CB 3.27Å; S112-W116 WeakPolarHBondContact O-CB 3.49Å; S112-W116 PolarHBondContact O-N 3.31Å; L113-W116 PolarHBondContact O-N 3.16Å; W116-V118 PolarHBondContact O-N 2.83Å; W116-L119 CarbonylContact O-C 3.57Å; W116-L119 PolarHBondContact O-N 2.95Å; W116-S120 VanDerWaalsContact O-CB 3.27Å; W116-S120 WeakPolarHBondContact O-CB 3.46Å; W116-S120 PolarHBondContact O-N 3.4Å; W116-S120 PolarHBondContact O-OG 2.8Å
117	A	48	Very low	45.8	Very low	53 Å²	53	81 Å²	81	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-34.5	172.5	0	0	0	0	0	111.1	L113 A114 S120 K308	L113-A117 WeakPolarHBondContact O-CB 3.44Å; L113-A117 PolarHBondContact O-N 3.48Å; A114-A117 PolarHBondContact O-N 3.12Å; A117-S120 PolarHBondContact O-OG 3.33Å; A117-K308 PolarHBondContact O-NZ 2.81Å
118	V	45.9	Very low	44.4	Very low	62 Å²	62	86.9 Å²	86.9	38%	0.376	52%	0.517	S	S	.	.	H	α-helix	trans	-73.7	-35.2	172.3	171.4	0	0	0	0	111.9	A114 V115 W116 A305 K308	A114-V118 VanDerWaalsContact O-CB 3.25Å; A114-V118 WeakPolarHBondContact O-CB 3.38Å; A114-V118 WeakPolarHBondContact O-CG2 3.35Å; A114-V118 PolarHBondContact O-N 2.83Å; V115-V118 CarbonylContact O-C 3.51Å; V115-V118 PolarHBondContact O-N 2.88Å; W116-V118 PolarHBondContact O-N 2.83Å; V118-A305 HydrophobicContact CG1-CB 3.87Å; V118-K308 VanDerWaalsContact C-NZ 3.33Å; V118-K308 WeakPolarHBondContact O-CD 3.36Å; V118-K308 WeakPolarHBondContact O-CE 3.35Å; V118-K308 PolarHBondContact O-NZ 3.18Å
119	L	42.6	Very low	42.9	Very low	71 Å²	71	90.9 Å²	90.9	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-82.2	-23.3	177.9	-71.2	165.8	0	0	0	113.2	V115 W116 I304	V115-L119 HydrophobicContact CG1-CD1 3.47Å; V115-L119 VanDerWaalsContact CG1-CD1 3.47Å; V115-L119 HydrophobicContact CG1-CG 4.18Å; V115-L119 VanDerWaalsContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 3.29Å; W116-L119 CarbonylContact O-C 3.57Å; W116-L119 PolarHBondContact O-N 2.95Å; L119-I304 HydrophobicContact CD2-CB 4.13Å; L119-I304 HydrophobicContact CD2-CD1 3.79Å; L119-I304 HydrophobicContact CD2-CG2 3.71Å
120	S	44.8	Very low	42.2	Very low	49 Å²	49	93.9 Å²	93.9	34%	0.343	57%	0.57	S	S	.	*	S	Bend	trans	-66.8	125.4	177.6	67.6	0	0	0	0	109.6	W116 A117 A122 K308	W116-S120 VanDerWaalsContact O-CB 3.27Å; W116-S120 WeakPolarHBondContact O-CB 3.46Å; W116-S120 PolarHBondContact O-N 3.4Å; W116-S120 PolarHBondContact O-OG 2.8Å; A117-S120 PolarHBondContact O-OG 3.33Å; S120-A122 PolarHBondContact O-N 3.39Å; S120-K308 PolarHBondContact O-NZ 2.83Å
121	P	41.9	Very low	42	Very low	116 Å²	116	95.8 Å²	95.8	75%	0.753	57%	0.57	S	S	*	*			trans	-58.7	129.9	-174.9	19.2	-29.6	0	0	0	110.5	G123	P121-G123 PolarHBondContact O-N 2.88Å
122	A	39	Very low	42	Very low	81 Å²	81	94.2 Å²	94.2	67%	0.669	56%	0.559	S	S	*	*	S	Bend	trans	-73.4	110.4	173.1	0	0	0	0	0	108.6	S120	S120-A122 PolarHBondContact O-N 3.39Å
123	G	36.5	Very low	42.7	Very low	62 Å²	62	97.4 Å²	97.4	64%	0.639	57%	0.573	S	S	*	*			trans	82.6	93.5	164.7	0	0	0	0	0	114.3	P121 Q125	P121-G123 PolarHBondContact O-N 2.88Å; G123-Q125 VanDerWaalsContact C-N 3.28Å; G123-Q125 PolarHBondContact O-N 3.15Å; G123-Q125 VanDerWaalsContact O-N 3.12Å
124	A	30.2	Very low	43.5	Very low	103 Å²	103	98.2 Å²	98.2	85%	0.851	58%	0.578	S	S	*	*			trans	-59.1	107.9	131.8	0	0	0	0	0	105.3	E126	A124-E126 PolarHBondContact O-N 3.24Å
125	Q	30	Very low	44.4	Very low	181 Å²	181	104.4 Å²	104.4	85%	0.846	59%	0.589	S	S	*	*			trans	-47.7	132.6	161.3	-80.9	175	-47.6	0	0	107	G123 K127	G123-Q125 VanDerWaalsContact C-N 3.28Å; G123-Q125 PolarHBondContact O-N 3.15Å; G123-Q125 VanDerWaalsContact O-N 3.12Å; Q125-K127 PolarHBondContact O-N 3.27Å
126	E	31.1	Very low	45.8	Very low	192 Å²	192	104 Å²	104	90%	0.897	59%	0.592	S	S	*	*			trans	-49.4	115.4	165.9	-82.4	174.3	152	0	0	107.1	A124 E128	A124-E126 PolarHBondContact O-N 3.24Å; E126-E128 PolarHBondContact O-N 3.41Å
127	K	31.7	Very low	47.1	Very low	146 Å²	146	97.5 Å²	97.5	64%	0.635	57%	0.567	S	S	*	*			trans	-56.9	121.8	177.3	-75.5	178.3	172.1	-175.3	0	107.6	Q125	Q125-K127 PolarHBondContact O-N 3.27Å
128	E	31.2	Very low	48.3	Very low	161 Å²	161	97.8 Å²	97.8	75%	0.752	56%	0.56	S	S	*	*			trans	-58.7	138.6	163.2	-74.6	-169.3	165.6	0	0	108.7	E126 G130	E126-E128 PolarHBondContact O-N 3.41Å; E128-G130 PolarHBondContact O-N 3.35Å
129	P	27.6	Very low	50	Low	141 Å²	141	99.1 Å²	99.1	92%	0.916	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	98.7	179.8	27.4	-31.5	0	0	0	109.1
130	G	41	Very low	51.9	Low	68 Å²	68	99.1 Å²	99.1	70%	0.701	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	156	-20.1	-179.2	0	0	0	0	0	114.8	E128 E132	E128-G130 PolarHBondContact O-N 3.35Å; G130-E132 PolarHBondContact O-N 3.2Å; G130-E132 VanDerWaalsContact O-N 3.15Å
131	Q	48	Very low	53.5	Low	96 Å²	96	97.1 Å²	97.1	45%	0.449	55%	0.545	S	S	.	.			trans	-65.4	114.2	-180	-109	174.6	-5.5	0	0	111.9	N133 E441	Q131-N133 PolarHBondContact O-N 2.62Å; Q131-E441 WeakPolarHBondContact CA-OE1 3.3Å
132	E	54.6	Low	55.3	Low	87 Å²	87	96.4 Å²	96.4	41%	0.407	53%	0.534	S	S	.	.			trans	-52.4	141.9	165.8	-88	-163.4	158.4	0	0	109	G130 N134 L137	G130-E132 PolarHBondContact O-N 3.2Å; G130-E132 VanDerWaalsContact O-N 3.15Å; E132-N134 PolarHBondContact O-N 3.33Å; E132-L137 HydrophobicContact CB-CD1 4.04Å; E132-L137 HydrophobicContact CB-CD2 4.3Å; E132-L137 HydrophobicContact CB-CG 3.95Å; E132-L137 WeakPolarHBondContact OE2-CD2 3.4Å
133	N	68.6	Low	57.4	Low	103 Å²	103	100.4 Å²	100.4	55%	0.551	53%	0.532	S	S	*	.			trans	-56.3	115.7	-179.6	-157.9	4.3	0	0	0	108.5	Q131 R135 A136 L137	Q131-N133 PolarHBondContact O-N 2.62Å; N133-R135 CarbonylContact O-C 3.47Å; N133-R135 PolarHBondContact O-N 2.73Å; N133-A136 HydrophobicContact CB-CB 4.38Å; N133-A136 WeakPolarHBondContact O-CA 3.38Å; N133-A136 VanDerWaalsContact O-CB 3.31Å; N133-A136 WeakPolarHBondContact O-CB 3.22Å; N133-A136 PolarHBondContact O-N 3.23Å; N133-L137 PolarHBondContact O-N 3.04Å
134	N	70.2	Confident	59.6	Low	41 Å²	41	98.9 Å²	98.9	22%	0.219	51%	0.509	C	S	.	.	H	α-helix	trans	-46	-33.4	-174.9	-66.6	0.1	0	0	0	113.3	E132 L137 M138 V437	E132-N134 PolarHBondContact O-N 3.33Å; N134-L137 PolarHBondContact O-N 3.45Å; N134-M138 VanDerWaalsContact O-CG 3.26Å; N134-M138 WeakPolarHBondContact O-CG 3.35Å; N134-M138 PolarHBondContact O-N 3.39Å; N134-V437 HydrophobicContact CB-CG1 4.43Å; N134-V437 HydrophobicContact CB-CG2 4.48Å
135	R	69.9	Low	62	Low	185 Å²	185	94 Å²	94	70%	0.698	47%	0.469	S	S	*	.	H	α-helix	trans	-62.7	-40.4	174.6	-170.4	178.2	-179.3	-174	0.5	113.7	N133 M138 I139	N133-R135 CarbonylContact O-C 3.47Å; N133-R135 PolarHBondContact O-N 2.73Å; R135-M138 PolarHBondContact O-N 3.27Å; R135-I139 HydrophobicContact CG-CD1 4.14Å; R135-I139 WeakPolarHBondContact O-CD1 3.37Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.38Å; R135-I139 PolarHBondContact O-N 2.91Å
136	A	77.7	Confident	64.6	Low	47 Å²	47	91.2 Å²	91.2	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-44.7	176.4	0	0	0	0	0	111.2	N133 M138 I139 R140	N133-A136 HydrophobicContact CB-CB 4.38Å; N133-A136 WeakPolarHBondContact O-CA 3.38Å; N133-A136 VanDerWaalsContact O-CB 3.31Å; N133-A136 WeakPolarHBondContact O-CB 3.22Å; N133-A136 PolarHBondContact O-N 3.23Å; A136-M138 VanDerWaalsContact C-N 3.34Å; A136-M138 PolarHBondContact O-N 3.45Å; A136-I139 PolarHBondContact O-N 3.26Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.18Å
137	L	78.3	Confident	67.2	Low	2 Å²	2	85.8 Å²	85.8	1%	0.01	44%	0.435	C	S	.	.	H	α-helix	trans	-57.8	-45.1	173.7	-71.3	170.1	0	0	0	111.5	E132 N133 N134 R140 L141 V437 E441 F444	E132-L137 HydrophobicContact CB-CD1 4.04Å; E132-L137 HydrophobicContact CB-CD2 4.3Å; E132-L137 HydrophobicContact CB-CG 3.95Å; E132-L137 WeakPolarHBondContact OE2-CD2 3.4Å; N133-L137 PolarHBondContact O-N 3.04Å; N134-L137 PolarHBondContact O-N 3.45Å; L137-R140 WeakPolarHBondContact O-CB 3.3Å; L137-R140 PolarHBondContact O-N 2.98Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 WeakPolarHBondContact O-CG 3.25Å; L137-L141 PolarHBondContact O-N 3.28Å; L137-V437 HydrophobicContact CB-CG1 4.48Å; L137-V437 HydrophobicContact CD1-CG1 3.41Å; L137-V437 VanDerWaalsContact CD1-CG1 3.41Å; L137-E441 HydrophobicContact CD1-CB 4.08Å; L137-E441 HydrophobicContact CD1-CG 4.48Å; L137-F444 HydrophobicContact CD2-CD2 3.55Å; L137-F444 HydrophobicContact CD2-CE2 4.12Å; L137-F444 HydrophobicContact CD2-CG 4.46Å
138	M	74.2	Confident	69.8	Low	59 Å²	59	78.9 Å²	78.9	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-46	175.1	-71.9	178.1	157.7	0	0	112.8	N134 R135 A136 R140 L141 L142 W263 M433	N134-M138 VanDerWaalsContact O-CG 3.26Å; N134-M138 WeakPolarHBondContact O-CG 3.35Å; N134-M138 PolarHBondContact O-N 3.39Å; R135-M138 PolarHBondContact O-N 3.27Å; A136-M138 VanDerWaalsContact C-N 3.34Å; A136-M138 PolarHBondContact O-N 3.45Å; M138-R140 PolarHBondContact O-N 3.2Å; M138-L141 WeakPolarHBondContact O-CB 3.07Å; M138-L141 PolarHBondContact O-N 3.14Å; M138-L142 WeakPolarHBondContact O-CG 3.34Å; M138-L142 PolarHBondContact O-N 3.09Å; M138-W263 HydrophobicContact CB-CH2 4.45Å; M138-W263 HydrophobicContact CE-CH2 3.95Å; M138-W263 HydrophobicContact CE-CZ2 3.59Å; M138-W263 HydrophobicContact CG-CH2 3.71Å; M138-W263 HydrophobicContact CG-CZ2 4.15Å; M138-M433 HydrophobicContact CE-CE 4.49Å; M138-M433 HydrophobicContact CE-SD 4Å
139	I	80.4	Confident	72.3	Confident	90 Å²	90	75 Å²	75	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-37.6	177.8	-70.7	164.5	0	0	0	110.6	R135 A136 L142 R143	R135-I139 HydrophobicContact CG-CD1 4.14Å; R135-I139 WeakPolarHBondContact O-CD1 3.37Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.38Å; R135-I139 PolarHBondContact O-N 2.91Å; A136-I139 PolarHBondContact O-N 3.26Å; I139-L142 PolarHBondContact O-N 3.23Å; I139-R143 WeakPolarHBondContact O-CB 3.38Å; I139-R143 PolarHBondContact O-N 2.88Å
140	R	82.5	Confident	75.2	Confident	71 Å²	71	71.9 Å²	71.9	27%	0.268	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-42.5	178.7	-168.3	174.5	-179.4	-177.6	-12	112.3	A136 L137 M138 L142 R143 L144 F444 D448	A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.18Å; L137-R140 WeakPolarHBondContact O-CB 3.3Å; L137-R140 PolarHBondContact O-N 2.98Å; M138-R140 PolarHBondContact O-N 3.2Å; R140-L142 PolarHBondContact O-N 3.25Å; R140-R143 WeakPolarHBondContact O-CB 3.44Å; R140-R143 PolarHBondContact O-N 3.24Å; R140-R143 VanDerWaalsContact O-N 3.11Å; R140-L144 PolarHBondContact O-N 2.97Å; R140-F444 HydrophobicContact CB-CE2 4.46Å; R140-F444 HydrophobicContact CB-CZ 4.19Å; R140-F444 HydrophobicContact CG-CE1 3.93Å; R140-F444 HydrophobicContact CG-CE2 4.38Å; R140-F444 HydrophobicContact CG-CZ 3.77Å; R140-D448 IonicContact CZ-OD1 3.96Å; R140-D448 IonicContact CZ-OD2 2.78Å; R140-D448 IonicContact NH1-OD1 3.66Å; R140-D448 IonicContact NH1-OD2 3.12Å; R140-D448 PolarHBondContact NH1-OD2 2.94Å; R140-D448 IonicContact NH2-OD1 3.21Å; R140-D448 PolarHBondContact NH2-OD1 2.87Å; R140-D448 IonicContact NH2-OD2 3.92Å; R140-D448 PolarHBondContact NH2-OD2 3.1Å
141	L	78.8	Confident	77.4	Confident	7 Å²	7	72.7 Å²	72.7	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-56.4	-48	170.6	-81.6	158.1	0	0	0	111.6	L137 M138 R143 L144 S145 M260 W263 L264 A440 F444	L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 WeakPolarHBondContact O-CG 3.25Å; L137-L141 PolarHBondContact O-N 3.28Å; M138-L141 WeakPolarHBondContact O-CB 3.07Å; M138-L141 PolarHBondContact O-N 3.14Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 2.92Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-L144 VanDerWaalsContact O-N 3.07Å; L141-S145 PolarHBondContact O-N 3.08Å; L141-M260 HydrophobicContact CD2-CE 3.32Å; L141-M260 HydrophobicContact CD2-CG 3.67Å; L141-M260 HydrophobicContact CD2-SD 4.32Å; L141-M260 HydrophobicContact CG-CE 4.21Å; L141-W263 HydrophobicContact CB-CZ3 4.38Å; L141-W263 HydrophobicContact CD1-CE3 3.82Å; L141-W263 HydrophobicContact CD1-CH2 4.37Å; L141-W263 HydrophobicContact CD1-CZ3 3.68Å; L141-L264 HydrophobicContact CB-CD1 4.33Å; L141-A440 HydrophobicContact CD1-CB 3.96Å; L141-F444 HydrophobicContact CD2-CE2 4.35Å; L141-F444 HydrophobicContact CD2-CZ 4.29Å; L141-F444 HydrophobicContact CG-CE2 3.92Å; L141-F444 HydrophobicContact CG-CZ 4.07Å
142	L	79	Confident	79.2	Confident	102 Å²	102	68.8 Å²	68.8	53%	0.534	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-31.6	175.5	-71.8	167.5	0	0	0	112.7	M138 I139 R140 L144 S145 L264	M138-L142 WeakPolarHBondContact O-CG 3.34Å; M138-L142 PolarHBondContact O-N 3.09Å; I139-L142 PolarHBondContact O-N 3.23Å; R140-L142 PolarHBondContact O-N 3.25Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-S145 PolarHBondContact O-OG 2.92Å; L142-L264 HydrophobicContact CD2-CD1 4.07Å
143	R	83.9	Confident	80.9	Confident	164 Å²	164	69.1 Å²	69.1	62%	0.619	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-35.3	174.2	-172.5	-179.3	-73.5	-176	-3.9	111.3	I139 R140 L141 S145 K146	I139-R143 WeakPolarHBondContact O-CB 3.38Å; I139-R143 PolarHBondContact O-N 2.88Å; R140-R143 WeakPolarHBondContact O-CB 3.44Å; R140-R143 PolarHBondContact O-N 3.24Å; R140-R143 VanDerWaalsContact O-N 3.11Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 2.92Å; R143-S145 VanDerWaalsContact C-N 3.3Å; R143-S145 PolarHBondContact O-N 3.38Å; R143-K146 HydrophobicContact CG-CD 4.06Å; R143-K146 WeakPolarHBondContact O-CB 3.2Å; R143-K146 VanDerWaalsContact O-CG 3.29Å; R143-K146 WeakPolarHBondContact O-CG 3.15Å; R143-K146 PolarHBondContact O-N 3.34Å
144	L	81.9	Confident	81.9	Confident	30 Å²	30	67.1 Å²	67.1	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-70.5	-27.1	179.8	-156	115.9	0	0	0	112.8	R140 L141 L142 P147 I221 R224 I225	R140-L144 PolarHBondContact O-N 2.97Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-L144 VanDerWaalsContact O-N 3.07Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L144-P147 WeakPolarHBondContact O-CD 3.41Å; L144-I221 HydrophobicContact CD2-CG2 4.43Å; L144-R224 PolarHBondContact O-NH1 3.06Å; L144-R224 VanDerWaalsContact O-NH1 3.08Å; L144-I225 HydrophobicContact CD2-CD1 3.77Å; L144-I225 HydrophobicContact CD2-CG1 3.31Å
145	S	81.8	Confident	82.8	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1	175.7	62.2	0	0	0	0	115.1	L141 L142 R143 P147 D148 L149 L264	L141-S145 PolarHBondContact O-N 3.08Å; L142-S145 PolarHBondContact O-OG 2.92Å; R143-S145 VanDerWaalsContact C-N 3.3Å; R143-S145 PolarHBondContact O-N 3.38Å; S145-P147 VanDerWaalsContact C-N 3.29Å; S145-D148 CarbonylContact O-C 3.6Å; S145-D148 PolarHBondContact O-N 3.48Å; S145-L149 PolarHBondContact O-N 3.05Å; S145-L264 VanDerWaalsContact CB-CD2 3.42Å
146	K	84.1	Confident	83.7	Confident	122 Å²	122	59.8 Å²	59.8	53%	0.53	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-47	-43.4	176.2	-78.5	-179.6	174.8	-167.7	0	114.5	R143 D148 L149	R143-K146 HydrophobicContact CG-CD 4.06Å; R143-K146 WeakPolarHBondContact O-CB 3.2Å; R143-K146 VanDerWaalsContact O-CG 3.29Å; R143-K146 WeakPolarHBondContact O-CG 3.15Å; R143-K146 PolarHBondContact O-N 3.34Å; K146-D148 PolarHBondContact O-N 2.93Å; K146-L149 HydrophobicContact CB-CD1 4.35Å; K146-L149 HydrophobicContact CG-CD1 4.32Å; K146-L149 WeakPolarHBondContact O-CB 3.41Å; K146-L149 WeakPolarHBondContact O-CD1 3.48Å; K146-L149 WeakPolarHBondContact O-CG 3.38Å; K146-L149 PolarHBondContact O-N 2.65Å
147	P	86.1	Confident	84.3	Confident	78 Å²	78	61.8 Å²	61.8	51%	0.506	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-67.1	-21.2	-179.8	-20.4	34.4	0	0	0	113.9	L144 S145	L144-P147 WeakPolarHBondContact O-CD 3.41Å; S145-P147 VanDerWaalsContact C-N 3.29Å
148	D	86.3	Confident	85	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-105.5	9.5	-177.9	-52	-72.9	0	0	0	112.2	S145 K146 P150 F151 L152 R220 R224	S145-D148 CarbonylContact O-C 3.6Å; S145-D148 PolarHBondContact O-N 3.48Å; K146-D148 PolarHBondContact O-N 2.93Å; D148-P150 VanDerWaalsContact C-N 3.33Å; D148-F151 PolarHBondContact O-N 2.83Å; D148-F151 VanDerWaalsContact O-N 3.13Å; D148-L152 PolarHBondContact O-N 3.44Å; D148-R220 IonicContact OD1-NE 2.61Å; D148-R224 IonicContact OD1-NH2 2.78Å; D148-R224 PolarHBondContact OD1-NH2 3.07Å; D148-R224 IonicContact OD2-CZ 2.82Å; D148-R224 IonicContact OD2-NH1 3.43Å; D148-R224 PolarHBondContact OD2-NH1 3.28Å; D148-R224 IonicContact OD2-NH2 3.03Å; D148-R224 PolarHBondContact OD2-NH2 3.08Å
149	L	84.5	Confident	85.8	Confident	79 Å²	79	62 Å²	62	41%	0.414	31%	0.305	S	S	.	.	H	α-helix	trans	-47.5	-41.2	170.5	-82.9	169.5	0	0	0	115.1	S145 K146 F151 L152 I153	S145-L149 PolarHBondContact O-N 3.05Å; K146-L149 HydrophobicContact CB-CD1 4.35Å; K146-L149 HydrophobicContact CG-CD1 4.32Å; K146-L149 WeakPolarHBondContact O-CB 3.41Å; K146-L149 WeakPolarHBondContact O-CD1 3.48Å; K146-L149 WeakPolarHBondContact O-CG 3.38Å; K146-L149 PolarHBondContact O-N 2.65Å; L149-F151 VanDerWaalsContact C-N 3.3Å; L149-F151 PolarHBondContact O-N 2.97Å; L149-L152 PolarHBondContact O-N 3.07Å; L149-I153 WeakPolarHBondContact O-CB 3.47Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.19Å; L149-I153 PolarHBondContact O-N 3.29Å
150	P	87.8	Confident	86.3	Confident	76 Å²	76	60.3 Å²	60.3	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-41.1	179.2	21.6	-33.6	0	0	0	112.3	D148 I153 V154	D148-P150 VanDerWaalsContact C-N 3.33Å; P150-I153 PolarHBondContact O-N 3.5Å; P150-V154 VanDerWaalsContact O-CG2 3.28Å; P150-V154 WeakPolarHBondContact O-CG2 3.46Å; P150-V154 PolarHBondContact O-N 3.42Å
151	F	87.3	Confident	86.6	Confident	85 Å²	85	61.3 Å²	61.3	37%	0.373	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-40	176.8	-67.5	-75.9	0	0	0	111.8	D148 L149 V154 A155 A217	D148-F151 PolarHBondContact O-N 2.83Å; D148-F151 VanDerWaalsContact O-N 3.13Å; L149-F151 VanDerWaalsContact C-N 3.3Å; L149-F151 PolarHBondContact O-N 2.97Å; F151-V154 PolarHBondContact O-N 3.15Å; F151-A155 VanDerWaalsContact O-CB 3.29Å; F151-A155 WeakPolarHBondContact O-CB 3.41Å; F151-A155 PolarHBondContact O-N 3.17Å; F151-A217 HydrophobicContact CB-CB 4.25Å
152	L	86.4	Confident	87.2	Confident	15 Å²	15	61 Å²	61	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-42.2	175.8	-66.6	174.4	0	0	0	111.7	D148 L149 A155 F156 F214 A217	D148-L152 PolarHBondContact O-N 3.44Å; L149-L152 PolarHBondContact O-N 3.07Å; L152-A155 WeakPolarHBondContact O-CB 3.36Å; L152-A155 PolarHBondContact O-N 3.44Å; L152-F156 HydrophobicContact CB-CD2 4.46Å; L152-F156 HydrophobicContact CB-CE2 4.27Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 WeakPolarHBondContact O-CD2 2.89Å; L152-F156 WeakPolarHBondContact O-CG 3.39Å; L152-F156 PolarHBondContact O-N 2.96Å; L152-F214 HydrophobicContact CD2-CD1 4.01Å; L152-F214 HydrophobicContact CD2-CE1 3.82Å; L152-A217 HydrophobicContact CD2-CB 4Å; L152-A217 HydrophobicContact CG-CB 4.43Å
153	I	88.4	Confident	87.8	Confident	93 Å²	93	56.2 Å²	56.2	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-47.3	177.1	-68.6	163.1	0	0	0	110.4	L149 P150 A155 F156 I157	L149-I153 WeakPolarHBondContact O-CB 3.47Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.19Å; L149-I153 PolarHBondContact O-N 3.29Å; P150-I153 PolarHBondContact O-N 3.5Å; I153-A155 VanDerWaalsContact C-N 3.3Å; I153-A155 PolarHBondContact O-N 3.41Å; I153-F156 PolarHBondContact O-N 3.08Å; I153-F156 VanDerWaalsContact O-N 3.16Å; I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 WeakPolarHBondContact O-CG1 3.47Å; I153-I157 PolarHBondContact O-N 3.42Å
154	V	90.6	Very high	88.1	Confident	62 Å²	62	55.1 Å²	55.1	38%	0.376	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-44.1	175.3	170.7	0	0	0	0	110.6	P150 F151 F156 I157 F158	P150-V154 VanDerWaalsContact O-CG2 3.28Å; P150-V154 WeakPolarHBondContact O-CG2 3.46Å; P150-V154 PolarHBondContact O-N 3.42Å; F151-V154 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact C-N 3.32Å; V154-F156 PolarHBondContact O-N 2.96Å; V154-I157 PolarHBondContact O-N 3.31Å; V154-F158 HydrophobicContact CG1-CD2 3.64Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact O-CD2 3.24Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 PolarHBondContact O-N 2.74Å
155	A	89.9	Confident	88.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-40	176.2	0	0	0	0	0	112.2	F151 L152 I153 F158 L159 F214	F151-A155 VanDerWaalsContact O-CB 3.29Å; F151-A155 WeakPolarHBondContact O-CB 3.41Å; F151-A155 PolarHBondContact O-N 3.17Å; L152-A155 WeakPolarHBondContact O-CB 3.36Å; L152-A155 PolarHBondContact O-N 3.44Å; I153-A155 VanDerWaalsContact C-N 3.3Å; I153-A155 PolarHBondContact O-N 3.41Å; A155-F158 PolarHBondContact O-N 3.35Å; A155-L159 VanDerWaalsContact O-CB 3.23Å; A155-L159 WeakPolarHBondContact O-CB 3.46Å; A155-L159 PolarHBondContact O-N 3.07Å; A155-F214 HydrophobicContact CB-CD1 4.35Å; A155-F214 HydrophobicContact CB-CD2 3.63Å; A155-F214 HydrophobicContact CB-CE1 4.28Å; A155-F214 HydrophobicContact CB-CE2 3.53Å; A155-F214 HydrophobicContact CB-CG 4.04Å; A155-F214 HydrophobicContact CB-CZ 3.87Å
156	F	88.7	Confident	89	Confident	72 Å²	72	57.8 Å²	57.8	32%	0.316	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-38.3	176.8	-76.8	-54	0	0	0	113.1	L152 I153 V154 L159 A160 F214 L272	L152-F156 HydrophobicContact CB-CD2 4.46Å; L152-F156 HydrophobicContact CB-CE2 4.27Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 WeakPolarHBondContact O-CD2 2.89Å; L152-F156 WeakPolarHBondContact O-CG 3.39Å; L152-F156 PolarHBondContact O-N 2.96Å; I153-F156 PolarHBondContact O-N 3.08Å; I153-F156 VanDerWaalsContact O-N 3.16Å; V154-F156 VanDerWaalsContact C-N 3.32Å; V154-F156 PolarHBondContact O-N 2.96Å; F156-L159 HydrophobicContact CD1-CD1 4.48Å; F156-L159 WeakPolarHBondContact O-CB 3.5Å; F156-L159 PolarHBondContact O-N 3.21Å; F156-A160 PolarHBondContact O-N 2.91Å; F156-F214 HydrophobicContact CD1-CZ 4.34Å; F156-F214 HydrophobicContact CE1-CZ 4.07Å; F156-F214 HydrophobicContact CZ-CZ 4.36Å; F156-L272 HydrophobicContact CD1-CD2 3.15Å; F156-L272 HydrophobicContact CE1-CB 4.21Å; F156-L272 HydrophobicContact CE1-CD2 3.23Å; F156-L272 HydrophobicContact CE1-CG 4.3Å; F156-L272 HydrophobicContact CG-CD2 4.27Å; F156-L272 HydrophobicContact CZ-CD2 4.38Å
157	I	90.6	Very high	89.3	Confident	89 Å²	89	52.4 Å²	52.4	46%	0.456	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-49.5	174.8	-67.4	165.5	0	0	0	110.1	I153 V154 L159 A160 M161	I153-I157 HydrophobicContact CG2-CD1 4.02Å; I153-I157 WeakPolarHBondContact O-CG1 3.47Å; I153-I157 PolarHBondContact O-N 3.42Å; V154-I157 PolarHBondContact O-N 3.31Å; I157-L159 VanDerWaalsContact C-N 3.27Å; I157-L159 PolarHBondContact O-N 3.43Å; I157-A160 PolarHBondContact O-N 3.18Å; I157-M161 HydrophobicContact CG2-CE 4.1Å; I157-M161 PolarHBondContact O-N 3.42Å
158	F	92.3	Very high	89.5	Confident	63 Å²	63	50.7 Å²	50.7	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-28.3	176.7	-75.4	-60.6	0	0	0	113.1	V154 A155 A162 S206 C209 R210	V154-F158 HydrophobicContact CG1-CD2 3.64Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact O-CD2 3.24Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 PolarHBondContact O-N 2.74Å; A155-F158 PolarHBondContact O-N 3.35Å; F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 3.11Å; F158-S206 PolarHBondContact O-OG 3.1Å; F158-C209 HydrophobicContact CB-CB 4.41Å; F158-C209 HydrophobicContact CD1-CB 3.83Å; F158-C209 HydrophobicContact CD2-CB 3.71Å; F158-C209 HydrophobicContact CE1-CB 3.93Å; F158-C209 HydrophobicContact CE2-CB 3.8Å; F158-C209 HydrophobicContact CG-CB 3.73Å; F158-C209 HydrophobicContact CZ-CB 3.92Å; F158-R210 HydrophobicContact CB-CB 3.84Å
159	L	90.6	Very high	89.7	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-49.3	171.5	178.6	158.5	0	0	0	110.6	A155 F156 I157 M161 A162 V163 F214 N269 L272 R273	A155-L159 VanDerWaalsContact O-CB 3.23Å; A155-L159 WeakPolarHBondContact O-CB 3.46Å; A155-L159 PolarHBondContact O-N 3.07Å; F156-L159 HydrophobicContact CD1-CD1 4.48Å; F156-L159 WeakPolarHBondContact O-CB 3.5Å; F156-L159 PolarHBondContact O-N 3.21Å; I157-L159 VanDerWaalsContact C-N 3.27Å; I157-L159 PolarHBondContact O-N 3.43Å; L159-M161 PolarHBondContact O-N 3.13Å; L159-A162 PolarHBondContact O-N 3.5Å; L159-V163 HydrophobicContact CD2-CG2 4.29Å; L159-V163 WeakPolarHBondContact O-CB 3.16Å; L159-V163 VanDerWaalsContact O-CG2 3.27Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 3.32Å; L159-F214 HydrophobicContact CD1-CE2 4.32Å; L159-N269 WeakPolarHBondContact CD1-OD1 3.48Å; L159-L272 HydrophobicContact CD1-CB 4.43Å; L159-L272 HydrophobicContact CD1-CD2 4.44Å; L159-L272 HydrophobicContact CD2-CD2 4.15Å; L159-L272 HydrophobicContact CD2-CG 4.4Å; L159-R273 HydrophobicContact CD1-CB 4.03Å; L159-R273 HydrophobicContact CD2-CB 4.47Å; L159-R273 HydrophobicContact CG-CB 4.25Å
160	A	90.1	Very high	90.1	Very high	54 Å²	54	49.2 Å²	49.2	45%	0.446	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-45.4	178.5	0	0	0	0	0	111.4	F156 I157 V163 W164	F156-A160 PolarHBondContact O-N 2.91Å; I157-A160 PolarHBondContact O-N 3.18Å; A160-V163 PolarHBondContact O-N 2.88Å; A160-W164 WeakPolarHBondContact O-CB 3.46Å; A160-W164 PolarHBondContact O-N 3.13Å
161	M	90.7	Very high	90.2	Very high	93 Å²	93	49.1 Å²	49.1	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-59.9	-48.6	174.9	-75.1	-174.3	-180	0	0	111.8	I157 L159 V163 W164 W165 S206	I157-M161 HydrophobicContact CG2-CE 4.1Å; I157-M161 PolarHBondContact O-N 3.42Å; L159-M161 PolarHBondContact O-N 3.13Å; M161-V163 VanDerWaalsContact C-N 3.32Å; M161-V163 PolarHBondContact O-N 3.12Å; M161-W164 WeakPolarHBondContact O-CB 3.23Å; M161-W164 PolarHBondContact O-N 3.41Å; M161-W165 VanDerWaalsContact C-CD1 3.5Å; M161-W165 PolarHBondContact O-N 2.95Å; M161-S206 WeakPolarHBondContact CB-OG 3.15Å
162	A	91.3	Very high	90.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-45.9	179.8	0	0	0	0	0	111.3	F158 L159 W164 W165 E166 S206	F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 3.11Å; L159-A162 PolarHBondContact O-N 3.5Å; A162-W164 VanDerWaalsContact C-N 3.32Å; A162-W164 PolarHBondContact O-N 2.71Å; A162-W165 PolarHBondContact O-N 2.8Å; A162-E166 WeakPolarHBondContact O-CB 3.46Å; A162-E166 WeakPolarHBondContact O-CG 3.48Å; A162-E166 PolarHBondContact O-N 3.2Å; A162-S206 PolarHBondContact N-OG 3.31Å
163	V	90.7	Very high	90.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-42.2	178.6	172.3	0	0	0	0	111.1	L159 A160 M161 E166 M167 R273 V276 K277	L159-V163 HydrophobicContact CD2-CG2 4.29Å; L159-V163 WeakPolarHBondContact O-CB 3.16Å; L159-V163 VanDerWaalsContact O-CG2 3.27Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 3.32Å; A160-V163 PolarHBondContact O-N 2.88Å; M161-V163 VanDerWaalsContact C-N 3.32Å; M161-V163 PolarHBondContact O-N 3.12Å; V163-E166 PolarHBondContact O-N 3.19Å; V163-M167 HydrophobicContact CG1-CE 3.35Å; V163-M167 HydrophobicContact CG1-SD 4.16Å; V163-M167 VanDerWaalsContact O-CG 3.27Å; V163-M167 WeakPolarHBondContact O-CG 3.36Å; V163-M167 PolarHBondContact O-N 3.35Å; V163-M167 VanDerWaalsContact O-N 3.09Å; V163-R273 HydrophobicContact CG2-CG 3.83Å; V163-V276 HydrophobicContact CB-CG1 4.44Å; V163-V276 HydrophobicContact CG1-CB 4.41Å; V163-V276 HydrophobicContact CG1-CG1 3.75Å; V163-K277 HydrophobicContact CG1-CD 3.96Å; V163-K277 HydrophobicContact CG1-CG 3.77Å; V163-K277 HydrophobicContact CG2-CG 4.03Å
164	W	90.4	Very high	90.5	Very high	141 Å²	141	43.4 Å²	43.4	53%	0.534	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-50.1	177.6	-163.5	77.4	0	0	0	111.6	A160 M161 A162 E166 M167 F168	A160-W164 WeakPolarHBondContact O-CB 3.46Å; A160-W164 PolarHBondContact O-N 3.13Å; M161-W164 WeakPolarHBondContact O-CB 3.23Å; M161-W164 PolarHBondContact O-N 3.41Å; A162-W164 VanDerWaalsContact C-N 3.32Å; A162-W164 PolarHBondContact O-N 2.71Å; W164-E166 PolarHBondContact O-N 3.3Å; W164-M167 PolarHBondContact O-N 2.9Å; W164-F168 HydrophobicContact CD2-CD2 4.34Å; W164-F168 AromaticContact CD2-CE2 3.8Å; W164-F168 HydrophobicContact CD2-CE2 3.8Å; W164-F168 AromaticContact CE2-CE2 3.46Å; W164-F168 VanDerWaalsContact CE2-CE2 3.46Å; W164-F168 HydrophobicContact CE3-CD2 4.45Å; W164-F168 HydrophobicContact CE3-CE2 4.22Å; W164-F168 HydrophobicContact CG-CE2 4.32Å; W164-F168 HydrophobicContact CH2-CE2 4.05Å; W164-F168 AromaticContact CZ2-CE2 3.6Å; W164-F168 HydrophobicContact CZ2-CE2 3.6Å; W164-F168 AromaticContact CZ2-CZ 3.98Å; W164-F168 HydrophobicContact CZ2-CZ 3.98Å; W164-F168 HydrophobicContact CZ3-CE2 4.34Å; W164-F168 AromaticContact NE1-CE2 3.76Å; W164-F168 VanDerWaalsContact O-CD2 3.25Å; W164-F168 WeakPolarHBondContact O-CD2 3.43Å
165	W	92.6	Very high	90.5	Very high	65 Å²	65	46.8 Å²	46.8	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-46.5	176.7	-62.6	125.7	0	0	0	112.6	M161 A162 M167 F168 F199	M161-W165 VanDerWaalsContact C-CD1 3.5Å; M161-W165 PolarHBondContact O-N 2.95Å; A162-W165 PolarHBondContact O-N 2.8Å; W165-M167 VanDerWaalsContact C-N 3.29Å; W165-M167 PolarHBondContact O-N 2.88Å; W165-F168 PolarHBondContact O-N 3.43Å; W165-F199 HydrophobicContact CD2-CD1 4.43Å; W165-F199 HydrophobicContact CE3-CB 4.42Å; W165-F199 AromaticContact CE3-CD1 3.19Å; W165-F199 HydrophobicContact CE3-CD1 3.19Å; W165-F199 AromaticContact CE3-CE1 3.73Å; W165-F199 HydrophobicContact CE3-CE1 3.73Å; W165-F199 HydrophobicContact CE3-CG 4.14Å; W165-F199 AromaticContact CZ3-CD1 3.31Å; W165-F199 HydrophobicContact CZ3-CD1 3.31Å; W165-F199 AromaticContact CZ3-CE1 3.48Å; W165-F199 HydrophobicContact CZ3-CE1 3.48Å; W165-F199 VanDerWaalsContact CZ3-CE1 3.48Å
166	E	90.5	Very high	90.5	Very high	22 Å²	22	47.7 Å²	47.7	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-35	-179.3	-69.6	170.7	-168.7	0	0	111.9	A162 V163 W164 F168 I169 P170 R210 R273 K277	A162-E166 WeakPolarHBondContact O-CB 3.46Å; A162-E166 WeakPolarHBondContact O-CG 3.48Å; A162-E166 PolarHBondContact O-N 3.2Å; V163-E166 PolarHBondContact O-N 3.19Å; W164-E166 PolarHBondContact O-N 3.3Å; E166-F168 VanDerWaalsContact C-N 3.29Å; E166-F168 PolarHBondContact O-N 3.27Å; E166-I169 PolarHBondContact O-N 2.84Å; E166-P170 WeakPolarHBondContact O-CD 3.44Å; E166-R210 IonicContact OE1-NH1 2.82Å; E166-R210 IonicContact OE1-NH2 3.53Å; E166-R273 IonicContact OE1-CZ 2.8Å; E166-R273 IonicContact OE1-NH2 3.89Å; E166-R273 PolarHBondContact OE1-NH2 3.07Å; E166-R273 IonicContact OE2-CZ 3.77Å; E166-R273 IonicContact OE2-NE 3Å; E166-R273 IonicContact OE2-NH2 3.3Å; E166-R273 PolarHBondContact OE2-NH2 3.05Å; E166-K277 WeakPolarHBondContact OE2-CE 3.44Å; E166-K277 IonicContact OE2-NZ 3.68Å; E166-K277 PolarHBondContact OE2-NZ 3.35Å; E166-K277 VanDerWaalsContact OE2-NZ 3.12Å
167	M	89.9	Confident	90.5	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-27.1	179.9	-75.8	174	-179.7	0	0	114	V163 W164 W165 V276 K277 G280 L281 F284 Y415	V163-M167 HydrophobicContact CG1-CE 3.35Å; V163-M167 HydrophobicContact CG1-SD 4.16Å; V163-M167 VanDerWaalsContact O-CG 3.27Å; V163-M167 WeakPolarHBondContact O-CG 3.36Å; V163-M167 PolarHBondContact O-N 3.35Å; V163-M167 VanDerWaalsContact O-N 3.09Å; W164-M167 PolarHBondContact O-N 2.9Å; W165-M167 VanDerWaalsContact C-N 3.29Å; W165-M167 PolarHBondContact O-N 2.88Å; M167-V276 WeakPolarHBondContact CE-O 3.47Å; M167-K277 HydrophobicContact CE-CD 4.16Å; M167-G280 VanDerWaalsContact CE-CA 3.43Å; M167-L281 HydrophobicContact CE-CG 4.46Å; M167-L281 HydrophobicContact CG-CD2 3.99Å; M167-L281 HydrophobicContact CG-CG 4.49Å; M167-F284 HydrophobicContact CB-CD2 4.17Å; M167-F284 HydrophobicContact CB-CE2 3.74Å; M167-F284 HydrophobicContact CG-CD2 4.49Å; M167-F284 HydrophobicContact CG-CE2 4.3Å; M167-F284 HydrophobicContact SD-CD2 4.39Å; M167-F284 HydrophobicContact SD-CE2 4.03Å; M167-Y415 VanDerWaalsContact O-CE1 3.27Å; M167-Y415 WeakPolarHBondContact O-CE1 3.13Å; M167-Y415 PolarHBondContact O-OH 3.14Å
168	F	90.6	Very high	90.4	Very high	42 Å²	42	45.9 Å²	45.9	18%	0.184	22%	0.217	C	C	.	.	H	α-helix	trans	-81.8	-19.4	179.1	-76.7	-80.4	0	0	0	113.4	W164 W165 E166 H171 Y172 F199 F284	W164-F168 HydrophobicContact CD2-CD2 4.34Å; W164-F168 AromaticContact CD2-CE2 3.8Å; W164-F168 HydrophobicContact CD2-CE2 3.8Å; W164-F168 AromaticContact CE2-CE2 3.46Å; W164-F168 VanDerWaalsContact CE2-CE2 3.46Å; W164-F168 HydrophobicContact CE3-CD2 4.45Å; W164-F168 HydrophobicContact CE3-CE2 4.22Å; W164-F168 HydrophobicContact CG-CE2 4.32Å; W164-F168 HydrophobicContact CH2-CE2 4.05Å; W164-F168 AromaticContact CZ2-CE2 3.6Å; W164-F168 HydrophobicContact CZ2-CE2 3.6Å; W164-F168 AromaticContact CZ2-CZ 3.98Å; W164-F168 HydrophobicContact CZ2-CZ 3.98Å; W164-F168 HydrophobicContact CZ3-CE2 4.34Å; W164-F168 AromaticContact NE1-CE2 3.76Å; W164-F168 VanDerWaalsContact O-CD2 3.25Å; W164-F168 WeakPolarHBondContact O-CD2 3.43Å; W165-F168 PolarHBondContact O-N 3.43Å; E166-F168 VanDerWaalsContact C-N 3.29Å; E166-F168 PolarHBondContact O-N 3.27Å; F168-H171 WeakPolarHBondContact O-CB 3.25Å; F168-H171 PolarHBondContact O-N 3.02Å; F168-Y172 HydrophobicContact CB-CD2 4.36Å; F168-Y172 HydrophobicContact CD1-CE2 4.2Å; F168-Y172 WeakPolarHBondContact O-CD2 3.17Å; F168-Y172 PolarHBondContact O-N 3.48Å; F168-Y172 VanDerWaalsContact O-N 3.15Å; F168-F199 HydrophobicContact CB-CD2 3.54Å; F168-F199 HydrophobicContact CB-CE2 3.65Å; F168-F199 HydrophobicContact CB-CG 4.17Å; F168-F199 HydrophobicContact CB-CZ 4.29Å; F168-F199 HydrophobicContact CG-CD2 4.47Å; F168-F199 HydrophobicContact CG-CE2 4.17Å; F168-F199 HydrophobicContact CG-CZ 4.4Å; F168-F284 HydrophobicContact CE1-CE1 4.34Å; F168-F284 HydrophobicContact CE1-CZ 4.14Å; F168-F284 HydrophobicContact CE2-CZ 4.44Å; F168-F284 HydrophobicContact CZ-CZ 4.04Å
169	I	90.8	Very high	90.2	Very high	42 Å²	42	44 Å²	44	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-52.2	-176	-61.2	171.8	0	0	0	111.1	E166 H171 Y172 S173 F199	E166-I169 PolarHBondContact O-N 2.84Å; I169-H171 VanDerWaalsContact C-N 3.31Å; I169-H171 PolarHBondContact O-N 3.47Å; I169-Y172 PolarHBondContact O-N 3.25Å; I169-S173 PolarHBondContact O-N 3.27Å; I169-S173 PolarHBondContact O-OG 3.23Å; I169-S173 VanDerWaalsContact O-OG 3.11Å; I169-F199 HydrophobicContact CG1-CB 4.22Å
170	P	91.9	Very high	90	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-29.9	-179.5	-22.7	35.8	0	0	0	114.3	E166 S173 G174 S411 L414 Y415	E166-P170 WeakPolarHBondContact O-CD 3.44Å; P170-S173 PolarHBondContact O-N 3.07Å; P170-G174 PolarHBondContact O-N 2.81Å; P170-S411 WeakPolarHBondContact O-CB 3.38Å; P170-S411 PolarHBondContact O-OG 2.62Å; P170-L414 HydrophobicContact CB-CB 3.76Å; P170-L414 HydrophobicContact CB-CD1 4.01Å; P170-L414 HydrophobicContact CG-CB 4.24Å; P170-Y415 HydrophobicContact CB-CD1 3.76Å; P170-Y415 HydrophobicContact CB-CE1 3.47Å; P170-Y415 VanDerWaalsContact CB-CE1 3.47Å; P170-Y415 HydrophobicContact CB-CE2 4.3Å; P170-Y415 HydrophobicContact CB-CG 4.34Å; P170-Y415 HydrophobicContact CG-CD1 3.71Å; P170-Y415 HydrophobicContact CG-CE1 3.46Å; P170-Y415 VanDerWaalsContact CG-CE1 3.46Å
171	H	90.3	Very high	89.6	Confident	75 Å²	75	48 Å²	48	35%	0.347	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-47.2	175.4	-179.6	77.6	0	0	0	111.2	F168 I169 G174 R175 Y415	F168-H171 WeakPolarHBondContact O-CB 3.25Å; F168-H171 PolarHBondContact O-N 3.02Å; I169-H171 VanDerWaalsContact C-N 3.31Å; I169-H171 PolarHBondContact O-N 3.47Å; H171-G174 PolarHBondContact O-N 3.38Å; H171-R175 PolarHBondContact O-N 2.95Å; H171-Y415 WeakPolarHBondContact CB-OH 3.45Å; H171-Y415 PolarHBondContact N-OH 3.33Å
172	Y	90.3	Very high	89	Confident	44 Å²	44	45.9 Å²	45.9	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-32.6	179.1	-80.9	-94.8	0	0	0	112.2	F168 I169 G174 R175 V176 A192 F195 F199	F168-Y172 HydrophobicContact CB-CD2 4.36Å; F168-Y172 HydrophobicContact CD1-CE2 4.2Å; F168-Y172 WeakPolarHBondContact O-CD2 3.17Å; F168-Y172 PolarHBondContact O-N 3.48Å; F168-Y172 VanDerWaalsContact O-N 3.15Å; I169-Y172 PolarHBondContact O-N 3.25Å; Y172-G174 VanDerWaalsContact C-N 3.31Å; Y172-G174 PolarHBondContact O-N 2.99Å; Y172-R175 PolarHBondContact O-N 3.48Å; Y172-V176 VanDerWaalsContact O-CG2 3.31Å; Y172-V176 WeakPolarHBondContact O-CG2 3.41Å; Y172-V176 PolarHBondContact O-N 3.47Å; Y172-A192 HydrophobicContact CD1-CB 4.39Å; Y172-F195 HydrophobicContact CD1-CB 3.81Å; Y172-F195 HydrophobicContact CE1-CB 3.47Å; Y172-F195 VanDerWaalsContact CE1-CB 3.47Å; Y172-F195 AromaticContact CE1-CD2 3.88Å; Y172-F195 HydrophobicContact CE1-CD2 3.88Å; Y172-F195 AromaticContact CE1-CG 3.93Å; Y172-F195 HydrophobicContact CE1-CG 3.93Å; Y172-F195 HydrophobicContact CG-CB 4.47Å; Y172-F199 HydrophobicContact CD2-CD2 4.1Å; Y172-F199 AromaticContact CD2-CE2 3.67Å; Y172-F199 HydrophobicContact CD2-CE2 3.67Å; Y172-F199 HydrophobicContact CE2-CD2 4.25Å; Y172-F199 AromaticContact CE2-CE2 3.37Å; Y172-F199 HydrophobicContact CE2-CE2 3.37Å; Y172-F199 HydrophobicContact CE2-CZ 4.2Å; Y172-F199 HydrophobicContact CG-CE2 4.45Å; Y172-F199 AromaticContact CZ-CE2 3.88Å
173	S	89.6	Confident	88.2	Confident	28 Å²	28	53.8 Å²	53.8	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-41.2	169.7	-57.9	0	0	0	0	112.2	I169 P170 I177	I169-S173 PolarHBondContact O-N 3.27Å; I169-S173 PolarHBondContact O-OG 3.23Å; I169-S173 VanDerWaalsContact O-OG 3.11Å; P170-S173 PolarHBondContact O-N 3.07Å; S173-I177 PolarHBondContact O-N 3.1Å
174	G	89.3	Confident	87.9	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-45.1	173.3	0	0	0	0	0	112.6	P170 H171 Y172 V176 I177 D178 G407 S411	P170-G174 PolarHBondContact O-N 2.81Å; H171-G174 PolarHBondContact O-N 3.38Å; Y172-G174 VanDerWaalsContact C-N 3.31Å; Y172-G174 PolarHBondContact O-N 2.99Å; G174-V176 VanDerWaalsContact C-N 3.28Å; G174-V176 PolarHBondContact O-N 2.86Å; G174-I177 WeakPolarHBondContact O-CB 3.02Å; G174-I177 PolarHBondContact O-N 3.16Å; G174-D178 PolarHBondContact O-N 3.35Å; G174-G407 VanDerWaalsContact CA-O 3.27Å; G174-G407 WeakPolarHBondContact CA-O 3.32Å; G174-G407 WeakPolarHBondContact O-CA 3.26Å; G174-S411 VanDerWaalsContact CA-OG 3.28Å; G174-S411 WeakPolarHBondContact CA-OG 3.41Å; G174-S411 PolarHBondContact N-OG 2.88Å
175	R	88.7	Confident	87.7	Confident	132 Å²	132	56.3 Å²	56.3	50%	0.498	30%	0.296	S	S	.	.	H	α-helix	trans	-58.6	-38.8	177.9	-166.7	177.2	179.7	97.6	1.8	112.5	H171 Y172 I177 D178 I179	H171-R175 PolarHBondContact O-N 2.95Å; Y172-R175 PolarHBondContact O-N 3.48Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-D178 PolarHBondContact O-N 3.2Å; R175-I179 HydrophobicContact CG-CD1 4.18Å; R175-I179 WeakPolarHBondContact O-CD1 3.05Å; R175-I179 VanDerWaalsContact O-CG1 3.26Å; R175-I179 WeakPolarHBondContact O-CG1 3.42Å; R175-I179 PolarHBondContact O-N 3.11Å
176	V	90.3	Very high	87.3	Confident	20 Å²	20	56.9 Å²	56.9	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-43.1	174.2	169.2	0	0	0	0	111.3	Y172 G174 I179 L180 F189 A192 I193	Y172-V176 VanDerWaalsContact O-CG2 3.31Å; Y172-V176 WeakPolarHBondContact O-CG2 3.41Å; Y172-V176 PolarHBondContact O-N 3.47Å; G174-V176 VanDerWaalsContact C-N 3.28Å; G174-V176 PolarHBondContact O-N 2.86Å; V176-I179 PolarHBondContact O-N 2.85Å; V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CG 3.25Å; V176-L180 PolarHBondContact O-N 2.87Å; V176-F189 HydrophobicContact CG1-CD2 4.29Å; V176-F189 HydrophobicContact CG1-CE2 3.76Å; V176-A192 HydrophobicContact CG2-CB 3.78Å; V176-I193 HydrophobicContact CG2-CG1 4.33Å
177	I	89.7	Confident	87.2	Confident	67 Å²	67	62 Å²	62	34%	0.344	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.7	-66.6	-61	0	0	0	112	S173 G174 R175 I179 L180 G181 L410	S173-I177 PolarHBondContact O-N 3.1Å; G174-I177 WeakPolarHBondContact O-CB 3.02Å; G174-I177 PolarHBondContact O-N 3.16Å; R175-I177 VanDerWaalsContact C-N 3.34Å; I177-I179 VanDerWaalsContact C-N 3.34Å; I177-L180 PolarHBondContact O-N 3.08Å; I177-G181 PolarHBondContact O-N 2.76Å; I177-L410 HydrophobicContact CB-CD2 4.45Å; I177-L410 HydrophobicContact CD1-CD2 4.38Å; I177-L410 HydrophobicContact CG1-CD2 3.5Å
178	D	88.2	Confident	87	Confident	56 Å²	56	62.7 Å²	62.7	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176.4	-78.5	-27.2	0	0	0	111.7	G174 R175 G181 G182 T405 R406 G407	G174-D178 PolarHBondContact O-N 3.35Å; R175-D178 PolarHBondContact O-N 3.2Å; D178-G181 PolarHBondContact O-N 2.84Å; D178-G182 PolarHBondContact O-N 2.68Å; D178-T405 VanDerWaalsContact OD1-CB 3.27Å; D178-T405 WeakPolarHBondContact OD1-CB 3.49Å; D178-T405 PolarHBondContact OD1-OG1 3.33Å; D178-T405 WeakPolarHBondContact OD2-CB 3.36Å; D178-T405 PolarHBondContact OD2-OG1 2.91Å; D178-R406 PolarHBondContact OD1-N 3.2Å; D178-G407 VanDerWaalsContact OD1-CA 3.3Å; D178-G407 WeakPolarHBondContact OD1-CA 3.45Å; D178-G407 PolarHBondContact OD1-N 3.29Å
179	I	88.4	Confident	87	Confident	24 Å²	24	63.2 Å²	63.2	12%	0.123	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-41.6	176	-64.7	161.3	0	0	0	111.3	R175 V176 I177 G181 A188 F189 A192	R175-I179 HydrophobicContact CG-CD1 4.18Å; R175-I179 WeakPolarHBondContact O-CD1 3.05Å; R175-I179 VanDerWaalsContact O-CG1 3.26Å; R175-I179 WeakPolarHBondContact O-CG1 3.42Å; R175-I179 PolarHBondContact O-N 3.11Å; V176-I179 PolarHBondContact O-N 2.85Å; I177-I179 VanDerWaalsContact C-N 3.34Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 3.44Å; I179-A188 HydrophobicContact CD1-CB 4.03Å; I179-F189 HydrophobicContact CG2-CB 4.09Å; I179-F189 HydrophobicContact CG2-CD2 4.43Å; I179-A192 HydrophobicContact CD1-CB 4.15Å
180	L	86.6	Confident	86.9	Confident	95 Å²	95	63.9 Å²	63.9	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-26.9	177	-73	172.5	0	0	0	113.2	V176 I177 F184 F189	V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 WeakPolarHBondContact O-CG 3.25Å; V176-L180 PolarHBondContact O-N 2.87Å; I177-L180 PolarHBondContact O-N 3.08Å; L180-F184 HydrophobicContact CD2-CD2 4.26Å; L180-F184 HydrophobicContact CD2-CE2 4.07Å; L180-F189 HydrophobicContact CD1-CE2 4.06Å; L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.76Å; L180-F189 HydrophobicContact CD2-CZ 4.43Å; L180-F189 HydrophobicContact CG-CD2 4.31Å; L180-F189 HydrophobicContact CG-CE2 3.86Å
181	G	79.9	Confident	86.8	Confident	45 Å²	45	66 Å²	66	46%	0.464	37%	0.373	S	S	.	.	H	α-helix	trans	-89.2	-8.5	-178.7	0	0	0	0	0	115.1	I177 D178 I179	I177-G181 PolarHBondContact O-N 2.76Å; D178-G181 PolarHBondContact O-N 2.84Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 3.44Å
182	G	78.3	Confident	86.8	Confident	48 Å²	48	62.5 Å²	62.5	50%	0.495	36%	0.357	S	S	.	.	S	Bend	trans	-118	-150.7	-179.6	0	0	0	0	0	113	D178 F184	D178-G182 PolarHBondContact O-N 2.68Å; G182-F184 PolarHBondContact O-N 3.07Å
183	D	75.4	Confident	86.8	Confident	166 Å²	166	63.3 Å²	63.3	89%	0.888	36%	0.363	S	S	*	.	S	Bend	trans	-69.8	114.4	173.1	-68	-34.1	0	0	0	109.5	D185	D183-D185 PolarHBondContact O-N 3.02Å; D183-D185 VanDerWaalsContact O-N 3.1Å
184	F	83.6	Confident	87	Confident	119 Å²	119	68.2 Å²	68.2	52%	0.522	38%	0.381	S	S	.	.			trans	-69.3	110.1	-173.7	-177.9	-103.8	0	0	0	111.3	L180 G182 P186 F189	L180-F184 HydrophobicContact CD2-CD2 4.26Å; L180-F184 HydrophobicContact CD2-CE2 4.07Å; G182-F184 PolarHBondContact O-N 3.07Å; F184-P186 HydrophobicContact CD1-CG 4.15Å; F184-P186 HydrophobicContact CE1-CB 4.21Å; F184-P186 HydrophobicContact CE1-CG 3.81Å; F184-F189 HydrophobicContact CE2-CB 4.14Å; F184-F189 HydrophobicContact CE2-CD1 4.4Å; F184-F189 HydrophobicContact CE2-CD2 4.17Å; F184-F189 HydrophobicContact CE2-CG 4Å; F184-F189 HydrophobicContact CZ-CB 4.43Å; F184-F189 HydrophobicContact CZ-CD1 4.42Å; F184-F189 HydrophobicContact CZ-CG 4.38Å
185	D	85.9	Confident	87.1	Confident	77 Å²	77	72 Å²	72	41%	0.412	40%	0.397	S	S	.	.			trans	-103.2	108.7	171.1	-178.1	2.4	0	0	0	110	D183 D187 A188 F189	D183-D185 PolarHBondContact O-N 3.02Å; D183-D185 VanDerWaalsContact O-N 3.1Å; D185-D187 VanDerWaalsContact C-N 3.25Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 PolarHBondContact OD1-N 3.02Å; D185-D187 VanDerWaalsContact OD1-N 3.16Å; D185-A188 HydrophobicContact CB-CB 3.9Å; D185-A188 PolarHBondContact O-N 2.85Å; D185-A188 WeakPolarHBondContact OD2-CB 3.11Å; D185-F189 WeakPolarHBondContact O-CB 3.33Å; D185-F189 PolarHBondContact O-N 3.28Å
186	P	86.2	Confident	87.2	Confident	76 Å²	76	68.2 Å²	68.2	49%	0.494	39%	0.386	S	S	.	.	H	α-helix	trans	-57.7	-35	-179.3	-21.9	31	0	0	0	113.6	F184 F189 A190	F184-P186 HydrophobicContact CD1-CG 4.15Å; F184-P186 HydrophobicContact CE1-CB 4.21Å; F184-P186 HydrophobicContact CE1-CG 3.81Å; P186-F189 PolarHBondContact O-N 3.48Å; P186-A190 WeakPolarHBondContact O-CB 3.43Å; P186-A190 PolarHBondContact O-N 3.4Å
187	D	87.7	Confident	87.4	Confident	129 Å²	129	70.4 Å²	70.4	69%	0.69	40%	0.401	S	S	*	.	H	α-helix	trans	-76.7	-40.2	-175.8	-68.7	-27	0	0	0	111	D185 F189 S191	D185-D187 VanDerWaalsContact C-N 3.25Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 PolarHBondContact OD1-N 3.02Å; D185-D187 VanDerWaalsContact OD1-N 3.16Å; D187-F189 VanDerWaalsContact C-N 3.32Å; D187-F189 PolarHBondContact O-N 2.82Å; D187-S191 WeakPolarHBondContact O-CB 3.36Å; D187-S191 PolarHBondContact O-N 3.17Å; D187-S191 PolarHBondContact O-OG 2.65Å
188	A	86.3	Confident	87.6	Confident	25 Å²	25	71 Å²	71	21%	0.207	41%	0.405	C	S	.	.	H	α-helix	trans	-64.3	-37.7	172	0	0	0	0	0	112	I179 D185 S191 A192	I179-A188 HydrophobicContact CD1-CB 4.03Å; D185-A188 HydrophobicContact CB-CB 3.9Å; D185-A188 PolarHBondContact O-N 2.85Å; D185-A188 WeakPolarHBondContact OD2-CB 3.11Å; A188-S191 WeakPolarHBondContact CA-OG 3.48Å; A188-S191 PolarHBondContact O-OG 3.41Å; A188-A192 WeakPolarHBondContact O-CB 3.43Å; A188-A192 PolarHBondContact O-N 2.94Å
189	F	89.3	Confident	87.8	Confident	54 Å²	54	69.1 Å²	69.1	24%	0.237	39%	0.394	C	S	.	.	H	α-helix	trans	-67.4	-47.6	176.4	-177.1	-101.2	0	0	0	112	V176 I179 L180 F184 D185 P186 D187 S191 A192 I193	V176-F189 HydrophobicContact CG1-CD2 4.29Å; V176-F189 HydrophobicContact CG1-CE2 3.76Å; I179-F189 HydrophobicContact CG2-CB 4.09Å; I179-F189 HydrophobicContact CG2-CD2 4.43Å; L180-F189 HydrophobicContact CD1-CE2 4.06Å; L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.76Å; L180-F189 HydrophobicContact CD2-CZ 4.43Å; L180-F189 HydrophobicContact CG-CD2 4.31Å; L180-F189 HydrophobicContact CG-CE2 3.86Å; F184-F189 HydrophobicContact CE2-CB 4.14Å; F184-F189 HydrophobicContact CE2-CD1 4.4Å; F184-F189 HydrophobicContact CE2-CD2 4.17Å; F184-F189 HydrophobicContact CE2-CG 4Å; F184-F189 HydrophobicContact CZ-CB 4.43Å; F184-F189 HydrophobicContact CZ-CD1 4.42Å; F184-F189 HydrophobicContact CZ-CG 4.38Å; D185-F189 WeakPolarHBondContact O-CB 3.33Å; D185-F189 PolarHBondContact O-N 3.28Å; P186-F189 PolarHBondContact O-N 3.48Å; D187-F189 VanDerWaalsContact C-N 3.32Å; D187-F189 PolarHBondContact O-N 2.82Å; F189-S191 PolarHBondContact O-N 3.49Å; F189-A192 PolarHBondContact O-N 2.87Å; F189-I193 HydrophobicContact CD1-CD1 3.86Å; F189-I193 HydrophobicContact CE1-CD1 3.26Å; F189-I193 HydrophobicContact CE1-CG1 4.41Å; F189-I193 HydrophobicContact CE2-CD1 4.07Å; F189-I193 HydrophobicContact CG-CD1 4.48Å; F189-I193 HydrophobicContact CZ-CD1 3.4Å; F189-I193 VanDerWaalsContact CZ-CD1 3.4Å; F189-I193 HydrophobicContact CZ-CG1 4.44Å; F189-I193 PolarHBondContact O-N 3.02Å
190	A	89.9	Confident	88	Confident	55 Å²	55	69.9 Å²	69.9	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-42.3	178.1	0	0	0	0	0	111.9	P186 I193 F194	P186-A190 WeakPolarHBondContact O-CB 3.43Å; P186-A190 PolarHBondContact O-N 3.4Å; A190-I193 PolarHBondContact O-N 2.98Å; A190-F194 VanDerWaalsContact O-CB 3.32Å; A190-F194 WeakPolarHBondContact O-CB 3.16Å; A190-F194 PolarHBondContact O-N 3.01Å
191	S	89.9	Confident	88.3	Confident	51 Å²	51	70 Å²	70	36%	0.357	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-41.2	176.4	58.8	0	0	0	0	112.5	D187 A188 F189 I193 F194 F195	D187-S191 WeakPolarHBondContact O-CB 3.36Å; D187-S191 PolarHBondContact O-N 3.17Å; D187-S191 PolarHBondContact O-OG 2.65Å; A188-S191 WeakPolarHBondContact CA-OG 3.48Å; A188-S191 PolarHBondContact O-OG 3.41Å; F189-S191 PolarHBondContact O-N 3.49Å; S191-I193 PolarHBondContact O-N 3.24Å; S191-F194 PolarHBondContact O-N 3.18Å; S191-F195 WeakPolarHBondContact O-CD2 3.43Å; S191-F195 PolarHBondContact O-N 3.4Å
192	A	89.1	Confident	89	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.008	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-42.7	176.7	0	0	0	0	0	112.4	Y172 V176 I179 A188 F189 M196	Y172-A192 HydrophobicContact CD1-CB 4.39Å; V176-A192 HydrophobicContact CG2-CB 3.78Å; I179-A192 HydrophobicContact CD1-CB 4.15Å; A188-A192 WeakPolarHBondContact O-CB 3.43Å; A188-A192 PolarHBondContact O-N 2.94Å; F189-A192 PolarHBondContact O-N 2.87Å; A192-M196 WeakPolarHBondContact O-CB 3.15Å; A192-M196 PolarHBondContact O-N 3.11Å
193	I	91.6	Very high	89.7	Confident	60 Å²	60	66.9 Å²	66.9	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-42.3	174.4	-69.7	-179.8	0	0	0	111.2	V176 F189 A190 S191 F195 M196 C197	V176-I193 HydrophobicContact CG2-CG1 4.33Å; F189-I193 HydrophobicContact CD1-CD1 3.86Å; F189-I193 HydrophobicContact CE1-CD1 3.26Å; F189-I193 HydrophobicContact CE1-CG1 4.41Å; F189-I193 HydrophobicContact CE2-CD1 4.07Å; F189-I193 HydrophobicContact CG-CD1 4.48Å; F189-I193 HydrophobicContact CZ-CD1 3.4Å; F189-I193 VanDerWaalsContact CZ-CD1 3.4Å; F189-I193 HydrophobicContact CZ-CG1 4.44Å; F189-I193 PolarHBondContact O-N 3.02Å; A190-I193 PolarHBondContact O-N 2.98Å; S191-I193 PolarHBondContact O-N 3.24Å; I193-F195 PolarHBondContact O-N 3.44Å; I193-M196 WeakPolarHBondContact O-CB 3.44Å; I193-M196 PolarHBondContact O-N 3.08Å; I193-C197 WeakPolarHBondContact O-CB 3.37Å; I193-C197 PolarHBondContact O-N 3.03Å; I193-C197 PolarHBondContact O-SG 3.19Å
194	F	93.2	Very high	90.6	Very high	132 Å²	132	62.9 Å²	62.9	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-58.9	-48	178	176.3	-97.3	0	0	0	111.7	A190 S191 C197 L198	A190-F194 VanDerWaalsContact O-CB 3.32Å; A190-F194 WeakPolarHBondContact O-CB 3.16Å; A190-F194 PolarHBondContact O-N 3.01Å; S191-F194 PolarHBondContact O-N 3.18Å; F194-C197 PolarHBondContact O-N 2.86Å; F194-L198 HydrophobicContact CE1-CD2 4.45Å; F194-L198 WeakPolarHBondContact O-CB 3.48Å; F194-L198 PolarHBondContact O-N 3.39Å
195	F	91.8	Very high	91.1	Very high	79 Å²	79	63 Å²	63	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-39.4	176.1	-74.8	-61.5	0	0	0	112.2	Y172 S191 I193 C197 L198 F199	Y172-F195 HydrophobicContact CD1-CB 3.81Å; Y172-F195 HydrophobicContact CE1-CB 3.47Å; Y172-F195 VanDerWaalsContact CE1-CB 3.47Å; Y172-F195 AromaticContact CE1-CD2 3.88Å; Y172-F195 HydrophobicContact CE1-CD2 3.88Å; Y172-F195 AromaticContact CE1-CG 3.93Å; Y172-F195 HydrophobicContact CE1-CG 3.93Å; Y172-F195 HydrophobicContact CG-CB 4.47Å; S191-F195 WeakPolarHBondContact O-CD2 3.43Å; S191-F195 PolarHBondContact O-N 3.4Å; I193-F195 PolarHBondContact O-N 3.44Å; F195-C197 PolarHBondContact O-N 3.48Å; F195-L198 HydrophobicContact CD1-CD2 4.34Å; F195-L198 PolarHBondContact O-N 2.85Å; F195-F199 HydrophobicContact CB-CE2 4.02Å; F195-F199 HydrophobicContact CB-CZ 4.47Å; F195-F199 HydrophobicContact CD1-CZ 4.37Å; F195-F199 WeakPolarHBondContact O-CB 3.41Å; F195-F199 WeakPolarHBondContact O-CD2 3.44Å; F195-F199 WeakPolarHBondContact O-CG 3.31Å; F195-F199 PolarHBondContact O-N 3.11Å
196	M	90.6	Very high	91.4	Very high	54 Å²	54	59.7 Å²	59.7	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-44.3	174.4	-170.1	-174.6	76.3	0	0	111.9	A192 I193 S200	A192-M196 WeakPolarHBondContact O-CB 3.15Å; A192-M196 PolarHBondContact O-N 3.11Å; I193-M196 WeakPolarHBondContact O-CB 3.44Å; I193-M196 PolarHBondContact O-N 3.08Å; M196-S200 WeakPolarHBondContact O-CB 3.35Å; M196-S200 PolarHBondContact O-N 2.85Å; M196-S200 PolarHBondContact O-OG 2.96Å
197	C	93.1	Very high	91.6	Very high	65 Å²	65	57.2 Å²	57.2	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.1	-76.8	0	0	0	0	111.5	I193 F194 F195 F199 S200 V201	I193-C197 WeakPolarHBondContact O-CB 3.37Å; I193-C197 PolarHBondContact O-N 3.03Å; I193-C197 PolarHBondContact O-SG 3.19Å; F194-C197 PolarHBondContact O-N 2.86Å; F195-C197 PolarHBondContact O-N 3.48Å; C197-F199 PolarHBondContact O-N 3.15Å; C197-S200 PolarHBondContact O-N 2.97Å; C197-V201 WeakPolarHBondContact O-CG2 3.24Å; C197-V201 PolarHBondContact O-N 3.08Å
198	L	93.9	Very high	91.8	Very high	80 Å²	80	53.3 Å²	53.3	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-47	178.9	-179.7	64.4	0	0	0	111.5	F194 F195 G202	F194-L198 HydrophobicContact CE1-CD2 4.45Å; F194-L198 WeakPolarHBondContact O-CB 3.48Å; F194-L198 PolarHBondContact O-N 3.39Å; F195-L198 HydrophobicContact CD1-CD2 4.34Å; F195-L198 PolarHBondContact O-N 2.85Å; L198-G202 PolarHBondContact O-N 3.2Å
199	F	93.6	Very high	92	Very high	17 Å²	17	54.3 Å²	54.3	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-34.2	177.4	-59.9	-31.3	0	0	0	112.8	W165 F168 I169 Y172 F195 C197 S203	W165-F199 HydrophobicContact CD2-CD1 4.43Å; W165-F199 HydrophobicContact CE3-CB 4.42Å; W165-F199 AromaticContact CE3-CD1 3.19Å; W165-F199 HydrophobicContact CE3-CD1 3.19Å; W165-F199 AromaticContact CE3-CE1 3.73Å; W165-F199 HydrophobicContact CE3-CE1 3.73Å; W165-F199 HydrophobicContact CE3-CG 4.14Å; W165-F199 AromaticContact CZ3-CD1 3.31Å; W165-F199 HydrophobicContact CZ3-CD1 3.31Å; W165-F199 AromaticContact CZ3-CE1 3.48Å; W165-F199 HydrophobicContact CZ3-CE1 3.48Å; W165-F199 VanDerWaalsContact CZ3-CE1 3.48Å; F168-F199 HydrophobicContact CB-CD2 3.54Å; F168-F199 HydrophobicContact CB-CE2 3.65Å; F168-F199 HydrophobicContact CB-CG 4.17Å; F168-F199 HydrophobicContact CB-CZ 4.29Å; F168-F199 HydrophobicContact CG-CD2 4.47Å; F168-F199 HydrophobicContact CG-CE2 4.17Å; F168-F199 HydrophobicContact CG-CZ 4.4Å; I169-F199 HydrophobicContact CG1-CB 4.22Å; Y172-F199 HydrophobicContact CD2-CD2 4.1Å; Y172-F199 AromaticContact CD2-CE2 3.67Å; Y172-F199 HydrophobicContact CD2-CE2 3.67Å; Y172-F199 HydrophobicContact CE2-CD2 4.25Å; Y172-F199 AromaticContact CE2-CE2 3.37Å; Y172-F199 HydrophobicContact CE2-CE2 3.37Å; Y172-F199 HydrophobicContact CE2-CZ 4.2Å; Y172-F199 HydrophobicContact CG-CE2 4.45Å; Y172-F199 AromaticContact CZ-CE2 3.88Å; F195-F199 HydrophobicContact CB-CE2 4.02Å; F195-F199 HydrophobicContact CB-CZ 4.47Å; F195-F199 HydrophobicContact CD1-CZ 4.37Å; F195-F199 WeakPolarHBondContact O-CB 3.41Å; F195-F199 WeakPolarHBondContact O-CD2 3.44Å; F195-F199 WeakPolarHBondContact O-CG 3.31Å; F195-F199 PolarHBondContact O-N 3.11Å; C197-F199 PolarHBondContact O-N 3.15Å; F199-S203 VanDerWaalsContact O-CB 3.23Å; F199-S203 WeakPolarHBondContact O-CB 2.92Å; F199-S203 PolarHBondContact O-N 2.83Å; F199-S203 PolarHBondContact O-OG 2.92Å
200	S	91.8	Very high	92.1	Very high	39 Å²	39	53 Å²	53	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-40.2	176.1	-59.3	0	0	0	0	112.6	M196 C197 S203 S204	M196-S200 WeakPolarHBondContact O-CB 3.35Å; M196-S200 PolarHBondContact O-N 2.85Å; M196-S200 PolarHBondContact O-OG 2.96Å; C197-S200 PolarHBondContact O-N 2.97Å; S200-S203 PolarHBondContact O-OG 3.42Å; S200-S204 WeakPolarHBondContact O-CB 3.46Å; S200-S204 PolarHBondContact O-N 3.35Å; S200-S204 VanDerWaalsContact O-N 3.09Å; S200-S204 PolarHBondContact O-OG 3Å
201	V	94.2	Very high	92	Very high	99 Å²	99	52 Å²	52	60%	0.6	32%	0.315	S	S	*	.	H	α-helix	trans	-70.4	-44.2	174.9	173.9	0	0	0	0	110.3	C197 S203 S204 L205	C197-V201 WeakPolarHBondContact O-CG2 3.24Å; C197-V201 PolarHBondContact O-N 3.08Å; V201-S203 PolarHBondContact O-N 2.96Å; V201-S204 PolarHBondContact O-N 3.3Å; V201-L205 WeakPolarHBondContact O-CB 3.49Å; V201-L205 PolarHBondContact O-N 3.04Å
202	G	94	Very high	92	Very high	17 Å²	17	50.8 Å²	50.8	18%	0.175	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176.3	0	0	0	0	0	112.7	L198 S206	L198-G202 PolarHBondContact O-N 3.2Å; G202-S206 WeakPolarHBondContact O-CB 3.23Å; G202-S206 PolarHBondContact O-N 3.05Å
203	S	93.1	Very high	92	Very high	10 Å²	10	51.6 Å²	51.6	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-45.1	176.3	68	0	0	0	0	111.4	F199 S200 V201 S206 A207	F199-S203 VanDerWaalsContact O-CB 3.23Å; F199-S203 WeakPolarHBondContact O-CB 2.92Å; F199-S203 PolarHBondContact O-N 2.83Å; F199-S203 PolarHBondContact O-OG 2.92Å; S200-S203 PolarHBondContact O-OG 3.42Å; V201-S203 PolarHBondContact O-N 2.96Å; S203-S206 PolarHBondContact O-N 3.13Å; S203-A207 WeakPolarHBondContact O-CB 3.07Å; S203-A207 PolarHBondContact O-N 2.71Å
204	S	93.1	Very high	91.9	Very high	82 Å²	82	48.9 Å²	48.9	57%	0.573	30%	0.303	S	S	*	.	H	α-helix	trans	-62.9	-45.5	-179.6	-61.2	0	0	0	0	112.2	S200 V201 A207 G208	S200-S204 WeakPolarHBondContact O-CB 3.46Å; S200-S204 PolarHBondContact O-N 3.35Å; S200-S204 VanDerWaalsContact O-N 3.09Å; S200-S204 PolarHBondContact O-OG 3Å; V201-S204 PolarHBondContact O-N 3.3Å; S204-A207 PolarHBondContact O-N 2.89Å; S204-G208 PolarHBondContact O-N 3.47Å
205	L	94.6	Very high	91.7	Very high	122 Å²	122	47.5 Å²	47.5	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-47.6	177.7	-176.6	62.1	0	0	0	111.2	V201 A207 G208 C209	V201-L205 WeakPolarHBondContact O-CB 3.49Å; V201-L205 PolarHBondContact O-N 3.04Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.22Å; L205-G208 PolarHBondContact O-N 3.23Å; L205-C209 PolarHBondContact O-N 3.47Å; L205-C209 PolarHBondContact O-SG 3.14Å; L205-C209 VanDerWaalsContact O-SG 3.39Å
206	S	93.4	Very high	91.6	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-35.9	178.3	-160.6	0	0	0	0	111.9	F158 M161 A162 G202 S203 R210	F158-S206 PolarHBondContact O-OG 3.1Å; M161-S206 WeakPolarHBondContact CB-OG 3.15Å; A162-S206 PolarHBondContact N-OG 3.31Å; G202-S206 WeakPolarHBondContact O-CB 3.23Å; G202-S206 PolarHBondContact O-N 3.05Å; S203-S206 PolarHBondContact O-N 3.13Å; S206-R210 WeakPolarHBondContact O-CB 3.49Å; S206-R210 PolarHBondContact O-N 3.49Å
207	A	89.6	Confident	91.5	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-69.3	-33.9	175.4	0	0	0	0	0	113	S203 S204 L205 R210 G211	S203-A207 WeakPolarHBondContact O-CB 3.07Å; S203-A207 PolarHBondContact O-N 2.71Å; S204-A207 PolarHBondContact O-N 2.89Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.22Å; A207-R210 WeakPolarHBondContact O-CG 3.3Å; A207-G211 PolarHBondContact O-N 3.46Å
208	G	91	Very high	91.3	Very high	48 Å²	48	46 Å²	46	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-50.5	170.8	0	0	0	0	0	111.8	S204 L205 R210 G211 G212	S204-G208 PolarHBondContact O-N 3.47Å; L205-G208 PolarHBondContact O-N 3.23Å; G208-R210 PolarHBondContact O-N 3.15Å; G208-G211 PolarHBondContact O-N 3.06Å; G208-G211 VanDerWaalsContact O-N 3.15Å; G208-G212 PolarHBondContact O-N 3.48Å
209	C	92.3	Very high	91.1	Very high	46 Å²	46	45 Å²	45	31%	0.311	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-41	-179.6	-67.9	0	0	0	0	113	F158 L205 G211 S213	F158-C209 HydrophobicContact CB-CB 4.41Å; F158-C209 HydrophobicContact CD1-CB 3.83Å; F158-C209 HydrophobicContact CD2-CB 3.71Å; F158-C209 HydrophobicContact CE1-CB 3.93Å; F158-C209 HydrophobicContact CE2-CB 3.8Å; F158-C209 HydrophobicContact CG-CB 3.73Å; F158-C209 HydrophobicContact CZ-CB 3.92Å; L205-C209 PolarHBondContact O-N 3.47Å; L205-C209 PolarHBondContact O-SG 3.14Å; L205-C209 VanDerWaalsContact O-SG 3.39Å; C209-G211 VanDerWaalsContact C-N 3.35Å; C209-S213 WeakPolarHBondContact O-CB 3.41Å; C209-S213 PolarHBondContact O-N 3.05Å; C209-S213 PolarHBondContact O-OG 3.44Å
210	R	89.7	Confident	90.9	Very high	25 Å²	25	50.7 Å²	50.7	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.3	78.2	-176.5	176.7	-170.5	-11.2	111	F158 E166 S206 A207 G208 S213 F214 R273	F158-R210 HydrophobicContact CB-CB 3.84Å; E166-R210 IonicContact OE1-NH1 2.82Å; E166-R210 IonicContact OE1-NH2 3.53Å; S206-R210 WeakPolarHBondContact O-CB 3.49Å; S206-R210 PolarHBondContact O-N 3.49Å; A207-R210 WeakPolarHBondContact O-CG 3.3Å; G208-R210 PolarHBondContact O-N 3.15Å; R210-S213 PolarHBondContact O-N 3.31Å; R210-F214 WeakPolarHBondContact O-CD2 3.31Å; R210-F214 PolarHBondContact O-N 3.14Å; R210-R273 VanDerWaalsContact NH1-CZ 3.25Å; R210-R273 VanDerWaalsContact NH2-CZ 3.28Å; R210-R273 VanDerWaalsContact NH2-NH1 3.18Å
211	G	88.3	Confident	90.8	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-46.9	-174.9	0	0	0	0	0	111	A207 G208 C209 S213 F214 L215	A207-G211 PolarHBondContact O-N 3.46Å; G208-G211 PolarHBondContact O-N 3.06Å; G208-G211 VanDerWaalsContact O-N 3.15Å; C209-G211 VanDerWaalsContact C-N 3.35Å; G211-S213 PolarHBondContact O-N 2.79Å; G211-F214 PolarHBondContact O-N 3.44Å; G211-L215 WeakPolarHBondContact O-CB 3.31Å; G211-L215 PolarHBondContact O-N 2.82Å
212	G	90.1	Very high	90.6	Very high	27 Å²	27	45.3 Å²	45.3	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-46.5	173.7	0	0	0	0	0	112.4	G208 F214 L215 F216	G208-G212 PolarHBondContact O-N 3.48Å; G212-F214 PolarHBondContact O-N 3.35Å; G212-L215 PolarHBondContact O-N 3.23Å; G212-F216 WeakPolarHBondContact O-CD2 3.46Å; G212-F216 PolarHBondContact O-N 3.36Å
213	S	89.8	Confident	90.4	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-43.1	-178.6	-58	0	0	0	0	112.7	C209 R210 G211 A217	C209-S213 WeakPolarHBondContact O-CB 3.41Å; C209-S213 PolarHBondContact O-N 3.05Å; C209-S213 PolarHBondContact O-OG 3.44Å; R210-S213 PolarHBondContact O-N 3.31Å; G211-S213 PolarHBondContact O-N 2.79Å; S213-A217 WeakPolarHBondContact O-CB 2.92Å; S213-A217 PolarHBondContact O-N 3.43Å
214	F	89.1	Confident	90.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-39.3	173.9	-85.9	-66	0	0	0	112.4	L152 A155 F156 L159 R210 G211 G212 A217 E218 S265 N269	L152-F214 HydrophobicContact CD2-CD1 4.01Å; L152-F214 HydrophobicContact CD2-CE1 3.82Å; A155-F214 HydrophobicContact CB-CD1 4.35Å; A155-F214 HydrophobicContact CB-CD2 3.63Å; A155-F214 HydrophobicContact CB-CE1 4.28Å; A155-F214 HydrophobicContact CB-CE2 3.53Å; A155-F214 HydrophobicContact CB-CG 4.04Å; A155-F214 HydrophobicContact CB-CZ 3.87Å; F156-F214 HydrophobicContact CD1-CZ 4.34Å; F156-F214 HydrophobicContact CE1-CZ 4.07Å; F156-F214 HydrophobicContact CZ-CZ 4.36Å; L159-F214 HydrophobicContact CD1-CE2 4.32Å; R210-F214 WeakPolarHBondContact O-CD2 3.31Å; R210-F214 PolarHBondContact O-N 3.14Å; G211-F214 PolarHBondContact O-N 3.44Å; G212-F214 PolarHBondContact O-N 3.35Å; F214-A217 PolarHBondContact O-N 2.69Å; F214-E218 WeakPolarHBondContact O-CB 3.26Å; F214-E218 PolarHBondContact O-N 2.82Å; F214-S265 WeakPolarHBondContact CD1-O 3.29Å; F214-N269 HydrophobicContact CD1-CB 4.24Å; F214-N269 HydrophobicContact CD2-CB 3.78Å; F214-N269 HydrophobicContact CE1-CB 4.06Å; F214-N269 HydrophobicContact CE2-CB 3.58Å; F214-N269 WeakPolarHBondContact CE2-OD1 3.41Å; F214-N269 HydrophobicContact CG-CB 4.12Å; F214-N269 HydrophobicContact CZ-CB 3.74Å
215	L	89.3	Confident	90.2	Very high	103 Å²	103	47.8 Å²	47.8	54%	0.539	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-40.3	178.4	-174.1	67.7	0	0	0	112.5	G211 G212 E218 S219	G211-L215 WeakPolarHBondContact O-CB 3.31Å; G211-L215 PolarHBondContact O-N 2.82Å; G212-L215 PolarHBondContact O-N 3.23Å; L215-E218 PolarHBondContact O-N 3.44Å; L215-S219 PolarHBondContact O-N 3.42Å; L215-S219 PolarHBondContact O-OG 2.78Å
216	F	89.5	Confident	90	Very high	139 Å²	139	46.5 Å²	46.5	61%	0.61	26%	0.256	S	S	*	.	H	α-helix	trans	-64.9	-44.8	173.9	-80.5	-65.4	0	0	0	111.6	G212 S219 R220	G212-F216 WeakPolarHBondContact O-CD2 3.46Å; G212-F216 PolarHBondContact O-N 3.36Å; F216-S219 PolarHBondContact O-N 3.48Å; F216-R220 VanDerWaalsContact O-CG 3.23Å; F216-R220 WeakPolarHBondContact O-CG 3.41Å; F216-R220 PolarHBondContact O-N 3.37Å; F216-R220 VanDerWaalsContact O-N 3.11Å
217	A	89.2	Confident	90	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-45.5	176.1	0	0	0	0	0	111.3	F151 L152 S213 F214 S219 R220 I221	F151-A217 HydrophobicContact CB-CB 4.25Å; L152-A217 HydrophobicContact CD2-CB 4Å; L152-A217 HydrophobicContact CG-CB 4.43Å; S213-A217 WeakPolarHBondContact O-CB 2.92Å; S213-A217 PolarHBondContact O-N 3.43Å; F214-A217 PolarHBondContact O-N 2.69Å; A217-S219 PolarHBondContact O-N 2.89Å; A217-R220 PolarHBondContact O-N 3.35Å; A217-I221 WeakPolarHBondContact O-CB 3.34Å; A217-I221 WeakPolarHBondContact O-CD1 3.43Å; A217-I221 VanDerWaalsContact O-CG1 3.23Å; A217-I221 WeakPolarHBondContact O-CG1 3.38Å; A217-I221 PolarHBondContact O-N 3.33Å
218	E	88.4	Confident	90.1	Very high	26 Å²	26	55.6 Å²	55.6	12%	0.121	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-50.3	177.3	-174.6	-174.2	150.2	0	0	111.8	F214 L215 R220 I221 N222 Q262 S265	F214-E218 WeakPolarHBondContact O-CB 3.26Å; F214-E218 PolarHBondContact O-N 2.82Å; L215-E218 PolarHBondContact O-N 3.44Å; E218-R220 VanDerWaalsContact C-N 3.33Å; E218-R220 PolarHBondContact O-N 3.12Å; E218-I221 PolarHBondContact O-N 3.45Å; E218-N222 WeakPolarHBondContact O-CB 3.42Å; E218-N222 PolarHBondContact O-N 3.12Å; E218-Q262 WeakPolarHBondContact OE1-CG 3.24Å; E218-S265 WeakPolarHBondContact CA-OG 3.26Å; E218-S265 WeakPolarHBondContact CB-OG 3.14Å
219	S	89.7	Confident	90.1	Very high	60 Å²	60	53.3 Å²	53.3	42%	0.42	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-41.6	-178.1	-59.1	0	0	0	0	111.8	L215 F216 A217 N222 L223	L215-S219 PolarHBondContact O-N 3.42Å; L215-S219 PolarHBondContact O-OG 2.78Å; F216-S219 PolarHBondContact O-N 3.48Å; A217-S219 PolarHBondContact O-N 2.89Å; S219-N222 PolarHBondContact O-N 2.72Å; S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 2.95Å
220	R	89.7	Confident	90.2	Very high	137 Å²	137	56.2 Å²	56.2	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-43.4	178.2	-71.6	-89.5	-74.7	-168.3	-8.1	112	D148 F216 A217 E218 R224	D148-R220 IonicContact OD1-NE 2.61Å; F216-R220 VanDerWaalsContact O-CG 3.23Å; F216-R220 WeakPolarHBondContact O-CG 3.41Å; F216-R220 PolarHBondContact O-N 3.37Å; F216-R220 VanDerWaalsContact O-N 3.11Å; A217-R220 PolarHBondContact O-N 3.35Å; E218-R220 VanDerWaalsContact C-N 3.33Å; E218-R220 PolarHBondContact O-N 3.12Å; R220-R224 PolarHBondContact O-N 2.96Å; R220-R224 VanDerWaalsContact O-N 3.15Å
221	I	88.6	Confident	90.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-45	176.3	-69.4	161.1	0	0	0	109.9	L144 A217 E218 L223 R224 I225 L264	L144-I221 HydrophobicContact CD2-CG2 4.43Å; A217-I221 WeakPolarHBondContact O-CB 3.34Å; A217-I221 WeakPolarHBondContact O-CD1 3.43Å; A217-I221 VanDerWaalsContact O-CG1 3.23Å; A217-I221 WeakPolarHBondContact O-CG1 3.38Å; A217-I221 PolarHBondContact O-N 3.33Å; E218-I221 PolarHBondContact O-N 3.45Å; I221-L223 PolarHBondContact O-N 2.86Å; I221-R224 PolarHBondContact O-N 3.36Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.29Å; I221-I225 VanDerWaalsContact O-CG1 3.3Å; I221-I225 WeakPolarHBondContact O-CG1 3.47Å; I221-I225 PolarHBondContact O-N 2.87Å; I221-L264 HydrophobicContact CD1-CD2 3.83Å
222	N	89.8	Confident	90.4	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-50.9	178.7	-173.3	-95.3	0	0	0	111.9	E218 S219 R224 I225 R226 T257 S258 S261	E218-N222 WeakPolarHBondContact O-CB 3.42Å; E218-N222 PolarHBondContact O-N 3.12Å; S219-N222 PolarHBondContact O-N 2.72Å; N222-R224 VanDerWaalsContact C-N 3.34Å; N222-R224 PolarHBondContact O-N 3.08Å; N222-I225 PolarHBondContact O-N 3.12Å; N222-R226 VanDerWaalsContact O-CG 3.3Å; N222-R226 WeakPolarHBondContact O-CG 3.37Å; N222-R226 PolarHBondContact O-N 3.34Å; N222-R226 WeakPolarHBondContact OD1-CD 3.39Å; N222-T257 PolarHBondContact ND2-O 2.91Å; N222-S258 VanDerWaalsContact ND2-CA 3.32Å; N222-S258 WeakPolarHBondContact ND2-CA 3.46Å; N222-S258 PolarHBondContact ND2-N 3.32Å; N222-S261 WeakPolarHBondContact CB-OG 3.25Å; N222-S261 PolarHBondContact ND2-OG 2.98Å
223	L	90.6	Very high	90.5	Very high	112 Å²	112	56 Å²	56	59%	0.586	27%	0.27	S	S	*	.	H	α-helix	trans	-57.7	-45.7	178.3	-73.6	171.6	0	0	0	111.9	S219 I221 R226 E227	S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 2.95Å; I221-L223 PolarHBondContact O-N 2.86Å; L223-R226 PolarHBondContact O-N 2.6Å; L223-E227 WeakPolarHBondContact O-CB 3.29Å; L223-E227 PolarHBondContact O-N 2.88Å
224	R	90.3	Very high	90.5	Very high	47 Å²	47	60.9 Å²	60.9	18%	0.177	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-44.4	179	-172.5	-177	-60.3	133.7	13.4	112.2	L144 D148 R220 I221 N222 R226 E227 Q228	L144-R224 PolarHBondContact O-NH1 3.06Å; L144-R224 VanDerWaalsContact O-NH1 3.08Å; D148-R224 IonicContact OD1-NH2 2.78Å; D148-R224 PolarHBondContact OD1-NH2 3.07Å; D148-R224 IonicContact OD2-CZ 2.82Å; D148-R224 IonicContact OD2-NH1 3.43Å; D148-R224 PolarHBondContact OD2-NH1 3.28Å; D148-R224 IonicContact OD2-NH2 3.03Å; D148-R224 PolarHBondContact OD2-NH2 3.08Å; R220-R224 PolarHBondContact O-N 2.96Å; R220-R224 VanDerWaalsContact O-N 3.15Å; I221-R224 PolarHBondContact O-N 3.36Å; N222-R224 VanDerWaalsContact C-N 3.34Å; N222-R224 PolarHBondContact O-N 3.08Å; R224-R226 VanDerWaalsContact C-N 3.34Å; R224-E227 PolarHBondContact O-N 3.16Å; R224-Q228 WeakPolarHBondContact O-CB 3.35Å; R224-Q228 VanDerWaalsContact O-CG 3.3Å; R224-Q228 WeakPolarHBondContact O-CG 3.37Å; R224-Q228 PolarHBondContact O-N 2.82Å
225	I	90.5	Very high	90.4	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-44.8	178	-66.9	168.6	0	0	0	109.9	L144 I221 N222 Q228 L229 T257 M260 V443	L144-I225 HydrophobicContact CD2-CD1 3.77Å; L144-I225 HydrophobicContact CD2-CG1 3.31Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.29Å; I221-I225 VanDerWaalsContact O-CG1 3.3Å; I221-I225 WeakPolarHBondContact O-CG1 3.47Å; I221-I225 PolarHBondContact O-N 2.87Å; N222-I225 PolarHBondContact O-N 3.12Å; I225-Q228 PolarHBondContact O-N 3.23Å; I225-L229 WeakPolarHBondContact O-CB 3.41Å; I225-L229 PolarHBondContact O-N 2.98Å; I225-T257 HydrophobicContact CG2-CG2 3.62Å; I225-M260 HydrophobicContact CD1-CE 4.3Å; I225-M260 HydrophobicContact CD1-CG 4.2Å; I225-M260 HydrophobicContact CD1-SD 4.03Å; I225-M260 HydrophobicContact CG2-SD 4.22Å; I225-V443 HydrophobicContact CG2-CG1 3.92Å
226	R	92.1	Very high	90.5	Very high	95 Å²	95	64.8 Å²	64.8	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-42.2	180	-69.6	179.2	82	-172.1	2.1	111.9	N222 L223 R224 F230 L253 T257	N222-R226 VanDerWaalsContact O-CG 3.3Å; N222-R226 WeakPolarHBondContact O-CG 3.37Å; N222-R226 PolarHBondContact O-N 3.34Å; N222-R226 WeakPolarHBondContact OD1-CD 3.39Å; L223-R226 PolarHBondContact O-N 2.6Å; R224-R226 VanDerWaalsContact C-N 3.34Å; R226-F230 WeakPolarHBondContact O-CB 3.39Å; R226-F230 PolarHBondContact O-N 3.37Å; R226-L253 HydrophobicContact CB-CD1 4.46Å; R226-L253 PolarHBondContact NE-O 2.73Å; R226-T257 HydrophobicContact CG-CG2 3.99Å; R226-T257 WeakPolarHBondContact CG-OG1 2.96Å
227	E	92.1	Very high	90.4	Very high	140 Å²	140	58.7 Å²	58.7	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-49.8	175.5	-174.7	-173.2	176	0	0	111.6	L223 R224 L229 F230 S231	L223-E227 WeakPolarHBondContact O-CB 3.29Å; L223-E227 PolarHBondContact O-N 2.88Å; R224-E227 PolarHBondContact O-N 3.16Å; E227-L229 PolarHBondContact O-N 2.83Å; E227-F230 PolarHBondContact O-N 3.28Å; E227-S231 VanDerWaalsContact O-CB 3.31Å; E227-S231 WeakPolarHBondContact O-CB 3.37Å; E227-S231 PolarHBondContact O-N 3.38Å
228	Q	91.5	Very high	90.3	Very high	82 Å²	82	62.1 Å²	62.1	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-42.5	179	-72.6	178.9	-3.8	0	0	111.9	R224 I225 S231 S232 L447	R224-Q228 WeakPolarHBondContact O-CB 3.35Å; R224-Q228 VanDerWaalsContact O-CG 3.3Å; R224-Q228 WeakPolarHBondContact O-CG 3.37Å; R224-Q228 PolarHBondContact O-N 2.82Å; I225-Q228 PolarHBondContact O-N 3.23Å; Q228-S231 PolarHBondContact O-N 3.39Å; Q228-S232 WeakPolarHBondContact O-CB 3.18Å; Q228-S232 PolarHBondContact O-N 3.31Å; Q228-L447 HydrophobicContact CB-CD2 3.98Å
229	L	92.7	Very high	90.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-47.4	178.5	179.6	60.9	0	0	0	110.6	I225 E227 S231 S232 L233 L253 T257 V443 L447	I225-L229 WeakPolarHBondContact O-CB 3.41Å; I225-L229 PolarHBondContact O-N 2.98Å; E227-L229 PolarHBondContact O-N 2.83Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.33Å; L229-S232 PolarHBondContact O-N 2.91Å; L229-L233 HydrophobicContact CD1-CD1 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.16Å; L229-L233 HydrophobicContact CG-CD1 4.05Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.5Å; L229-L253 HydrophobicContact CB-CD1 4.19Å; L229-L253 HydrophobicContact CD2-CD1 3.97Å; L229-L253 HydrophobicContact CG-CD1 4.07Å; L229-T257 HydrophobicContact CD2-CG2 3.67Å; L229-V443 HydrophobicContact CD2-CG1 4.36Å; L229-L447 HydrophobicContact CB-CD2 4.2Å; L229-L447 HydrophobicContact CD1-CD2 4.4Å; L229-L447 HydrophobicContact CD1-CG 4.21Å
230	F	93.2	Very high	90	Very high	107 Å²	107	58.7 Å²	58.7	47%	0.469	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.3	-172.2	-109.4	0	0	0	111.8	R226 E227 S232 L233 L234 L253	R226-F230 WeakPolarHBondContact O-CB 3.39Å; R226-F230 PolarHBondContact O-N 3.37Å; E227-F230 PolarHBondContact O-N 3.28Å; F230-S232 PolarHBondContact O-N 3.35Å; F230-L233 PolarHBondContact O-N 3.23Å; F230-L234 HydrophobicContact CD1-CD1 3.99Å; F230-L234 HydrophobicContact CE1-CD1 3.49Å; F230-L234 VanDerWaalsContact CE1-CD1 3.49Å; F230-L234 HydrophobicContact CE1-CG 4.22Å; F230-L234 HydrophobicContact CZ-CD1 3.85Å; F230-L234 HydrophobicContact CZ-CD2 4.37Å; F230-L234 HydrophobicContact CZ-CG 4.23Å; F230-L234 WeakPolarHBondContact O-CG 3.45Å; F230-L234 PolarHBondContact O-N 3.07Å; F230-L253 HydrophobicContact CB-CD1 4.05Å; F230-L253 HydrophobicContact CD2-CD2 3.89Å
231	S	91.9	Very high	89.9	Confident	51 Å²	51	56.2 Å²	56.2	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-41.9	175.8	-170.5	0	0	0	0	112.3	E227 Q228 L229 R235	E227-S231 VanDerWaalsContact O-CB 3.31Å; E227-S231 WeakPolarHBondContact O-CB 3.37Å; E227-S231 PolarHBondContact O-N 3.38Å; Q228-S231 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.33Å; S231-R235 WeakPolarHBondContact O-CG 3.24Å
232	S	91.1	Very high	89.6	Confident	19 Å²	19	61 Å²	61	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-43.6	176	-173.7	0	0	0	0	111.9	Q228 L229 F230 L234 R235 Q236 Y446	Q228-S232 WeakPolarHBondContact O-CB 3.18Å; Q228-S232 PolarHBondContact O-N 3.31Å; L229-S232 PolarHBondContact O-N 2.91Å; F230-S232 PolarHBondContact O-N 3.35Å; S232-L234 PolarHBondContact O-N 3.01Å; S232-R235 PolarHBondContact O-N 3.48Å; S232-R235 VanDerWaalsContact O-N 3.14Å; S232-Q236 WeakPolarHBondContact O-CG 3.49Å; S232-Q236 PolarHBondContact O-N 3.32Å; S232-Q236 PolarHBondContact O-NE2 3.15Å; S232-Y446 PolarHBondContact OG-O 3.48Å
233	L	91.2	Very high	89.2	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-45.3	179	-73.1	173.5	0	0	0	111.3	L229 F230 R235 Q236 F240 F241 L249 Y446	L229-L233 HydrophobicContact CD1-CD1 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.16Å; L229-L233 HydrophobicContact CG-CD1 4.05Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.5Å; F230-L233 PolarHBondContact O-N 3.23Å; L233-R235 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact O-N 3.15Å; L233-Q236 WeakPolarHBondContact O-CB 3.35Å; L233-Q236 WeakPolarHBondContact O-CG 3.33Å; L233-Q236 PolarHBondContact O-N 3.09Å; L233-F240 HydrophobicContact CD2-CE1 3.76Å; L233-F240 HydrophobicContact CD2-CZ 3.8Å; L233-F241 WeakPolarHBondContact O-CZ 3.47Å; L233-L249 HydrophobicContact CD2-CD2 3.95Å; L233-Y446 HydrophobicContact CD2-CD1 3.93Å; L233-Y446 HydrophobicContact CD2-CG 4.48Å
234	L	89.3	Confident	88.8	Confident	118 Å²	118	61.3 Å²	61.3	62%	0.618	29%	0.286	S	S	*	.	H	α-helix	trans	-64.5	-16.8	178.7	-70.9	-179.7	0	0	0	114.3	F230 S232	F230-L234 HydrophobicContact CD1-CD1 3.99Å; F230-L234 HydrophobicContact CE1-CD1 3.49Å; F230-L234 VanDerWaalsContact CE1-CD1 3.49Å; F230-L234 HydrophobicContact CE1-CG 4.22Å; F230-L234 HydrophobicContact CZ-CD1 3.85Å; F230-L234 HydrophobicContact CZ-CD2 4.37Å; F230-L234 HydrophobicContact CZ-CG 4.23Å; F230-L234 WeakPolarHBondContact O-CG 3.45Å; F230-L234 PolarHBondContact O-N 3.07Å; S232-L234 PolarHBondContact O-N 3.01Å
235	R	88.4	Confident	88.4	Confident	179 Å²	179	66.9 Å²	66.9	68%	0.675	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.9	176.3	-66.2	176.1	-176.1	-171.2	1.3	113.3	S231 S232 L233 P451	S231-R235 WeakPolarHBondContact O-CG 3.24Å; S232-R235 PolarHBondContact O-N 3.48Å; S232-R235 VanDerWaalsContact O-N 3.14Å; L233-R235 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact O-N 3.15Å; R235-P451 WeakPolarHBondContact O-CB 3.5Å; R235-P451 WeakPolarHBondContact O-CG 3.21Å
236	Q	90.1	Very high	87.8	Confident	11 Å²	11	72.4 Å²	72.4	5%	0.051	35%	0.346	C	S	.	.	S	Bend	trans	-73.2	153.8	178.1	-59.5	-57.4	-45.2	0	0	111.3	S232 L233 F240 F241 R449	S232-Q236 WeakPolarHBondContact O-CG 3.49Å; S232-Q236 PolarHBondContact O-N 3.32Å; S232-Q236 PolarHBondContact O-NE2 3.15Å; L233-Q236 WeakPolarHBondContact O-CB 3.35Å; L233-Q236 WeakPolarHBondContact O-CG 3.33Å; L233-Q236 PolarHBondContact O-N 3.09Å; Q236-F240 HydrophobicContact CB-CB 4.22Å; Q236-F240 HydrophobicContact CB-CD1 3.66Å; Q236-F240 HydrophobicContact CB-CE1 4.29Å; Q236-F240 HydrophobicContact CB-CG 4.04Å; Q236-F240 HydrophobicContact CG-CD1 4.06Å; Q236-F240 HydrophobicContact CG-CE1 4.23Å; Q236-F240 HydrophobicContact CG-CG 4.46Å; Q236-F241 HydrophobicContact CB-CE2 4.09Å; Q236-R449 PolarHBondContact NE2-O 3.41Å
237	D	88.6	Confident	87.2	Confident	11 Å²	11	70.6 Å²	70.6	6%	0.059	36%	0.357	C	S	.	.			trans	-64.1	157.6	174	56.5	-81.8	0	0	0	112.6	A239 F240 F241 R449 N452 L453	D237-A239 VanDerWaalsContact C-N 3.26Å; D237-A239 PolarHBondContact O-N 2.82Å; D237-A239 WeakPolarHBondContact OD2-CB 3.3Å; D237-A239 PolarHBondContact OD2-N 3.2Å; D237-F240 VanDerWaalsContact O-CB 3.25Å; D237-F240 WeakPolarHBondContact O-CB 3.2Å; D237-F240 PolarHBondContact O-N 2.92Å; D237-F240 PolarHBondContact OD2-N 2.71Å; D237-F241 WeakPolarHBondContact O-CD2 3.41Å; D237-R449 IonicContact OD1-CZ 3.48Å; D237-R449 IonicContact OD1-NH1 3.2Å; D237-R449 PolarHBondContact OD1-NH1 3.05Å; D237-R449 IonicContact OD1-NH2 3.1Å; D237-R449 PolarHBondContact OD1-NH2 3.24Å; D237-R449 IonicContact OD2-NH2 3.49Å; D237-N452 PolarHBondContact OD1-N 3.13Å; D237-L453 HydrophobicContact CB-CD1 4.13Å; D237-L453 HydrophobicContact CB-CG 4.09Å
238	L	86.9	Confident	86.6	Confident	71 Å²	71	67.5 Å²	67.5	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-28	179.8	-86.2	76.1	0	0	0	113.1	F240 F241 Q242 L519 Y520	L238-F240 VanDerWaalsContact C-N 3.28Å; L238-F240 PolarHBondContact O-N 3.08Å; L238-F241 PolarHBondContact O-N 3.28Å; L238-F241 VanDerWaalsContact O-N 3.09Å; L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-N 3.36Å; L238-Q242 VanDerWaalsContact O-N 3.15Å; L238-L519 HydrophobicContact CD1-CB 4.37Å; L238-L519 HydrophobicContact CD1-CD2 4.2Å; L238-L519 HydrophobicContact CD2-CB 4.33Å; L238-L519 HydrophobicContact CD2-CD1 4.28Å; L238-Y520 HydrophobicContact CB-CE1 4.2Å; L238-Y520 WeakPolarHBondContact CB-OH 2.91Å; L238-Y520 HydrophobicContact CD2-CE2 4.36Å
239	A	85.4	Confident	86.4	Confident	8 Å²	8	64.5 Å²	64.5	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-38.1	-179.5	0	0	0	0	0	111.4	D237 F241 Q242 E243 P478	D237-A239 VanDerWaalsContact C-N 3.26Å; D237-A239 PolarHBondContact O-N 2.82Å; D237-A239 WeakPolarHBondContact OD2-CB 3.3Å; D237-A239 PolarHBondContact OD2-N 3.2Å; A239-F241 VanDerWaalsContact C-N 3.31Å; A239-F241 PolarHBondContact O-N 3.31Å; A239-Q242 WeakPolarHBondContact O-CB 3.42Å; A239-Q242 PolarHBondContact O-N 3.23Å; A239-Q242 VanDerWaalsContact O-N 3.11Å; A239-E243 PolarHBondContact O-N 3.27Å; A239-P478 HydrophobicContact CB-CB 3.9Å; A239-P478 HydrophobicContact CB-CG 3.92Å
240	F	86.9	Confident	86.1	Confident	7 Å²	7	69.7 Å²	69.7	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-50.8	-46.3	169.8	176.3	-110.6	0	0	0	114.2	L233 Q236 D237 L238 Q242 E243 T244 L249 Y446 R449	L233-F240 HydrophobicContact CD2-CE1 3.76Å; L233-F240 HydrophobicContact CD2-CZ 3.8Å; Q236-F240 HydrophobicContact CB-CB 4.22Å; Q236-F240 HydrophobicContact CB-CD1 3.66Å; Q236-F240 HydrophobicContact CB-CE1 4.29Å; Q236-F240 HydrophobicContact CB-CG 4.04Å; Q236-F240 HydrophobicContact CG-CD1 4.06Å; Q236-F240 HydrophobicContact CG-CE1 4.23Å; Q236-F240 HydrophobicContact CG-CG 4.46Å; D237-F240 VanDerWaalsContact O-CB 3.25Å; D237-F240 WeakPolarHBondContact O-CB 3.2Å; D237-F240 PolarHBondContact O-N 2.92Å; D237-F240 PolarHBondContact OD2-N 2.71Å; L238-F240 VanDerWaalsContact C-N 3.28Å; L238-F240 PolarHBondContact O-N 3.08Å; F240-Q242 VanDerWaalsContact C-N 3.3Å; F240-E243 PolarHBondContact O-N 2.95Å; F240-T244 WeakPolarHBondContact CE2-OG1 3.21Å; F240-T244 VanDerWaalsContact O-CB 3.24Å; F240-T244 WeakPolarHBondContact O-CB 3.28Å; F240-T244 PolarHBondContact O-N 3.31Å; F240-T244 PolarHBondContact O-OG1 3.49Å; F240-L249 HydrophobicContact CE1-CD2 3.9Å; F240-L249 HydrophobicContact CZ-CD2 3.76Å; F240-Y446 AromaticContact CE2-CD1 3.75Å; F240-Y446 HydrophobicContact CE2-CD1 3.75Å; F240-Y446 AromaticContact CE2-CE1 3.5Å; F240-Y446 HydrophobicContact CE2-CE1 3.5Å; F240-Y446 VanDerWaalsContact CE2-CE1 3.5Å; F240-Y446 AromaticContact CZ-CD1 3.45Å; F240-Y446 HydrophobicContact CZ-CD1 3.45Å; F240-Y446 VanDerWaalsContact CZ-CD1 3.45Å; F240-Y446 AromaticContact CZ-CE1 3.35Å; F240-Y446 HydrophobicContact CZ-CE1 3.35Å; F240-R449 VanDerWaalsContact CB-NH1 3.27Å
241	F	86.3	Confident	85.5	Confident	85 Å²	85	67.2 Å²	67.2	37%	0.373	35%	0.352	S	S	.	.	H	α-helix	trans	-76	-19.7	-178.2	-70.2	-77.2	0	0	0	112.8	L233 Q236 D237 L238 A239 L249	L233-F241 WeakPolarHBondContact O-CZ 3.47Å; Q236-F241 HydrophobicContact CB-CE2 4.09Å; D237-F241 WeakPolarHBondContact O-CD2 3.41Å; L238-F241 PolarHBondContact O-N 3.28Å; L238-F241 VanDerWaalsContact O-N 3.09Å; A239-F241 VanDerWaalsContact C-N 3.31Å; A239-F241 PolarHBondContact O-N 3.31Å; F241-L249 HydrophobicContact CD1-CD1 3.65Å; F241-L249 HydrophobicContact CE1-CD1 3.67Å
242	Q	83.1	Confident	85.2	Confident	101 Å²	101	66.4 Å²	66.4	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-78.2	-34.3	171.9	-68.1	179.7	-17.1	0	0	112	L238 A239 F240 Y520	L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-N 3.36Å; L238-Q242 VanDerWaalsContact O-N 3.15Å; A239-Q242 WeakPolarHBondContact O-CB 3.42Å; A239-Q242 PolarHBondContact O-N 3.23Å; A239-Q242 VanDerWaalsContact O-N 3.11Å; F240-Q242 VanDerWaalsContact C-N 3.3Å; Q242-Y520 PolarHBondContact NE2-OH 3.2Å
243	E	81.2	Confident	85	Confident	124 Å²	124	67 Å²	67	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-81.3	-37.4	177.6	-68.7	175.9	-177.2	0	0	112.2	A239 F240	A239-E243 PolarHBondContact O-N 3.27Å; F240-E243 PolarHBondContact O-N 2.95Å
244	T	81.6	Confident	84.8	Confident	18 Å²	18	69.2 Å²	69.2	11%	0.11	36%	0.36	C	S	.	.	S	Bend	trans	-94.8	125.3	-174.3	-46.7	0	0	0	0	111.3	F240 E248 L249	F240-T244 WeakPolarHBondContact CE2-OG1 3.21Å; F240-T244 VanDerWaalsContact O-CB 3.24Å; F240-T244 WeakPolarHBondContact O-CB 3.28Å; F240-T244 PolarHBondContact O-N 3.31Å; F240-T244 PolarHBondContact O-OG1 3.49Å; T244-E248 HydrophobicContact CG2-CB 4.33Å; T244-E248 HydrophobicContact CG2-CG 4.33Å; T244-L249 HydrophobicContact CG2-CD2 3.73Å; T244-L249 HydrophobicContact CG2-CG 3.95Å
245	K	81.9	Confident	84.6	Confident	165 Å²	165	66.2 Å²	66.2	72%	0.717	35%	0.348	S	S	*	.			trans	-69.5	139.1	179.6	-63.8	178.2	-178	176.5	0	111.1	G247 E248 L249	K245-G247 PolarHBondContact O-N 2.98Å; K245-G247 VanDerWaalsContact O-N 3.16Å; K245-E248 HydrophobicContact CB-CB 4.49Å; K245-E248 WeakPolarHBondContact O-CA 3.23Å; K245-E248 VanDerWaalsContact O-CB 3.29Å; K245-E248 WeakPolarHBondContact O-CB 3.39Å; K245-E248 PolarHBondContact O-N 3.47Å; K245-L249 PolarHBondContact O-N 3.32Å
246	T	79.3	Confident	84.5	Confident	117 Å²	117	58.5 Å²	58.5	72%	0.718	32%	0.321	S	S	*	.	H	α-helix	trans	-55.6	-36.6	177.7	-41	0	0	0	0	113.2	E248 L249 N250	T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.83Å; T246-L249 PolarHBondContact O-N 3.41Å; T246-N250 PolarHBondContact O-N 2.87Å
247	G	77.8	Confident	84.4	Confident	57 Å²	57	58 Å²	58	59%	0.588	32%	0.318	S	S	*	.	H	α-helix	trans	-65	-31.5	176	0	0	0	0	0	113.4	K245 S251	K245-G247 PolarHBondContact O-N 2.98Å; K245-G247 VanDerWaalsContact O-N 3.16Å; G247-S251 WeakPolarHBondContact O-CB 3.5Å; G247-S251 PolarHBondContact O-N 3.01Å; G247-S251 VanDerWaalsContact O-N 3.11Å
248	E	81.2	Confident	84.3	Confident	74 Å²	74	59.4 Å²	59.4	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-48	173.1	-178.9	170.9	-175.2	0	0	110.5	T244 K245 T246 N250 S251 R252 Y446	T244-E248 HydrophobicContact CG2-CB 4.33Å; T244-E248 HydrophobicContact CG2-CG 4.33Å; K245-E248 HydrophobicContact CB-CB 4.49Å; K245-E248 WeakPolarHBondContact O-CA 3.23Å; K245-E248 VanDerWaalsContact O-CB 3.29Å; K245-E248 WeakPolarHBondContact O-CB 3.39Å; K245-E248 PolarHBondContact O-N 3.47Å; T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.83Å; E248-N250 VanDerWaalsContact C-N 3.31Å; E248-N250 PolarHBondContact O-N 3.13Å; E248-S251 WeakPolarHBondContact O-CA 3.3Å; E248-S251 WeakPolarHBondContact O-CB 3.35Å; E248-S251 PolarHBondContact O-N 2.92Å; E248-S251 VanDerWaalsContact O-N 3.08Å; E248-R252 HydrophobicContact CG-CG 4.45Å; E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 2.98Å; E248-R252 IonicContact OE1-CZ 3.5Å; E248-R252 IonicContact OE1-NE 3.46Å; E248-R252 IonicContact OE1-NH2 3.57Å; E248-R252 PolarHBondContact OE1-NH2 3.4Å; E248-Y446 PolarHBondContact OE1-OH 2.67Å
249	L	86.5	Confident	84.2	Confident	19 Å²	19	59.1 Å²	59.1	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-42.5	177.7	-63.1	176.3	0	0	0	112.3	L233 F240 F241 T244 K245 T246 R252 L253 Y446	L233-L249 HydrophobicContact CD2-CD2 3.95Å; F240-L249 HydrophobicContact CE1-CD2 3.9Å; F240-L249 HydrophobicContact CZ-CD2 3.76Å; F241-L249 HydrophobicContact CD1-CD1 3.65Å; F241-L249 HydrophobicContact CE1-CD1 3.67Å; T244-L249 HydrophobicContact CG2-CD2 3.73Å; T244-L249 HydrophobicContact CG2-CG 3.95Å; K245-L249 PolarHBondContact O-N 3.32Å; T246-L249 PolarHBondContact O-N 3.41Å; L249-R252 PolarHBondContact O-N 2.96Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 PolarHBondContact O-N 3.15Å; L249-Y446 HydrophobicContact CD2-CE1 4.25Å
250	N	85.8	Confident	84.1	Confident	110 Å²	110	58.9 Å²	58.9	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-39.8	176.8	-168.1	33.3	0	0	0	111.9	T246 E248 L253 S254	T246-N250 PolarHBondContact O-N 2.87Å; E248-N250 VanDerWaalsContact C-N 3.31Å; E248-N250 PolarHBondContact O-N 3.13Å; N250-L253 PolarHBondContact O-N 3.4Å; N250-S254 WeakPolarHBondContact O-CB 3.13Å; N250-S254 PolarHBondContact O-N 3.43Å
251	S	81.8	Confident	84	Confident	55 Å²	55	58.6 Å²	58.6	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-43	173.7	-169	0	0	0	0	111.7	G247 E248 L253 S254 S255 D256	G247-S251 WeakPolarHBondContact O-CB 3.5Å; G247-S251 PolarHBondContact O-N 3.01Å; G247-S251 VanDerWaalsContact O-N 3.11Å; E248-S251 WeakPolarHBondContact O-CA 3.3Å; E248-S251 WeakPolarHBondContact O-CB 3.35Å; E248-S251 PolarHBondContact O-N 2.92Å; E248-S251 VanDerWaalsContact O-N 3.08Å; S251-L253 PolarHBondContact O-N 3.04Å; S251-S254 PolarHBondContact O-N 3.43Å; S251-S255 WeakPolarHBondContact O-CA 3.12Å; S251-S255 WeakPolarHBondContact O-CB 3.47Å; S251-S255 PolarHBondContact O-N 3.19Å; S251-D256 PolarHBondContact O-N 3.23Å
252	R	84.3	Confident	83.7	Confident	34 Å²	34	57.9 Å²	57.9	13%	0.128	32%	0.321	C	S	.	.	I	π-helix	trans	-58.2	-50.1	175.3	-61.9	-48	-179	-159.9	-7	111.2	E248 L249 S254 D256 T257 Y446	E248-R252 HydrophobicContact CG-CG 4.45Å; E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 2.98Å; E248-R252 IonicContact OE1-CZ 3.5Å; E248-R252 IonicContact OE1-NE 3.46Å; E248-R252 IonicContact OE1-NH2 3.57Å; E248-R252 PolarHBondContact OE1-NH2 3.4Å; L249-R252 PolarHBondContact O-N 2.96Å; R252-S254 VanDerWaalsContact C-N 3.3Å; R252-S254 PolarHBondContact O-N 3.3Å; R252-D256 WeakPolarHBondContact CD-OD2 3.48Å; R252-D256 IonicContact CZ-OD2 2.6Å; R252-D256 IonicContact NE-OD2 2.73Å; R252-D256 IonicContact NH1-OD2 3.49Å; R252-D256 PolarHBondContact NH1-OD2 3.11Å; R252-T257 WeakPolarHBondContact O-CG2 3.24Å; R252-T257 PolarHBondContact O-N 3.35Å; R252-Y446 HydrophobicContact CG-CD2 4.22Å; R252-Y446 HydrophobicContact CG-CE2 3.72Å
253	L	88.4	Confident	83.3	Confident	31 Å²	31	54.1 Å²	54.1	16%	0.162	30%	0.303	C	S	.	.	I	π-helix	trans	-72.9	-19.4	-174.5	-166.3	68.9	0	0	0	114	R226 L229 F230 L249 N250 S251 T257	R226-L253 HydrophobicContact CB-CD1 4.46Å; R226-L253 PolarHBondContact NE-O 2.73Å; L229-L253 HydrophobicContact CB-CD1 4.19Å; L229-L253 HydrophobicContact CD2-CD1 3.97Å; L229-L253 HydrophobicContact CG-CD1 4.07Å; F230-L253 HydrophobicContact CB-CD1 4.05Å; F230-L253 HydrophobicContact CD2-CD2 3.89Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 PolarHBondContact O-N 3.15Å; N250-L253 PolarHBondContact O-N 3.4Å; S251-L253 PolarHBondContact O-N 3.04Å; L253-T257 PolarHBondContact O-OG1 3.26Å
254	S	85.8	Confident	82.9	Confident	59 Å²	59	48.7 Å²	48.7	41%	0.413	28%	0.278	S	S	.	.	I	π-helix	trans	-108.8	-66.8	-179.5	-171.5	0	0	0	0	111	N250 S251 R252 T257 S258	N250-S254 WeakPolarHBondContact O-CB 3.13Å; N250-S254 PolarHBondContact O-N 3.43Å; S251-S254 PolarHBondContact O-N 3.43Å; R252-S254 VanDerWaalsContact C-N 3.3Å; R252-S254 PolarHBondContact O-N 3.3Å; S254-T257 PolarHBondContact O-OG1 2.91Å; S254-S258 VanDerWaalsContact O-CB 3.27Å; S254-S258 WeakPolarHBondContact O-CB 3.34Å; S254-S258 PolarHBondContact O-N 3.45Å
255	S	85	Confident	82.6	Confident	55 Å²	55	47.9 Å²	47.9	39%	0.385	27%	0.273	S	S	.	.	I	π-helix	trans	-69.9	-55.1	-173.3	-174.8	0	0	0	0	111.9	S251 T257 S258 L259	S251-S255 WeakPolarHBondContact O-CA 3.12Å; S251-S255 WeakPolarHBondContact O-CB 3.47Å; S251-S255 PolarHBondContact O-N 3.19Å; S255-T257 PolarHBondContact O-N 3.36Å; S255-S258 WeakPolarHBondContact O-CB 3.23Å; S255-S258 PolarHBondContact O-N 3.24Å; S255-S258 VanDerWaalsContact O-N 3.12Å; S255-L259 WeakPolarHBondContact O-CG 3.45Å; S255-L259 PolarHBondContact O-N 3.44Å
256	D	85.9	Confident	82.2	Confident	17 Å²	17	43.3 Å²	43.3	9%	0.091	26%	0.256	C	S	.	.	I	π-helix	trans	-70	-37.1	-171.5	-66	-18.9	0	0	0	112.1	S251 R252 S258 L259 M260 V443	S251-D256 PolarHBondContact O-N 3.23Å; R252-D256 WeakPolarHBondContact CD-OD2 3.48Å; R252-D256 IonicContact CZ-OD2 2.6Å; R252-D256 IonicContact NE-OD2 2.73Å; R252-D256 IonicContact NH1-OD2 3.49Å; R252-D256 PolarHBondContact NH1-OD2 3.11Å; D256-S258 VanDerWaalsContact C-N 3.29Å; D256-S258 PolarHBondContact O-N 3.18Å; D256-L259 PolarHBondContact O-N 3.2Å; D256-M260 VanDerWaalsContact O-CB 3.26Å; D256-M260 WeakPolarHBondContact O-CB 3.46Å; D256-M260 PolarHBondContact O-N 2.61Å; D256-V443 HydrophobicContact CB-CG2 3.8Å
257	T	88	Confident	82.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-34.8	172.1	56.6	0	0	0	0	113	N222 I225 R226 L229 R252 L253 S254 S255 S261 V443	N222-T257 PolarHBondContact ND2-O 2.91Å; I225-T257 HydrophobicContact CG2-CG2 3.62Å; R226-T257 HydrophobicContact CG-CG2 3.99Å; R226-T257 WeakPolarHBondContact CG-OG1 2.96Å; L229-T257 HydrophobicContact CD2-CG2 3.67Å; R252-T257 WeakPolarHBondContact O-CG2 3.24Å; R252-T257 PolarHBondContact O-N 3.35Å; L253-T257 PolarHBondContact O-OG1 3.26Å; S254-T257 PolarHBondContact O-OG1 2.91Å; S255-T257 PolarHBondContact O-N 3.36Å; T257-S261 PolarHBondContact O-N 3.29Å; T257-S261 PolarHBondContact O-OG 3.37Å; T257-S261 VanDerWaalsContact O-OG 3.1Å; T257-V443 HydrophobicContact CG2-CG2 4.35Å
258	S	87.2	Confident	82	Confident	41 Å²	41	37.7 Å²	37.7	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-47.8	176.7	-172.4	0	0	0	0	111.3	N222 S254 S255 D256 M260 S261 Q262	N222-S258 VanDerWaalsContact ND2-CA 3.32Å; N222-S258 WeakPolarHBondContact ND2-CA 3.46Å; N222-S258 PolarHBondContact ND2-N 3.32Å; S254-S258 VanDerWaalsContact O-CB 3.27Å; S254-S258 WeakPolarHBondContact O-CB 3.34Å; S254-S258 PolarHBondContact O-N 3.45Å; S255-S258 WeakPolarHBondContact O-CB 3.23Å; S255-S258 PolarHBondContact O-N 3.24Å; S255-S258 VanDerWaalsContact O-N 3.12Å; D256-S258 VanDerWaalsContact C-N 3.29Å; D256-S258 PolarHBondContact O-N 3.18Å; S258-M260 VanDerWaalsContact C-N 3.29Å; S258-M260 PolarHBondContact O-N 3.06Å; S258-S261 PolarHBondContact O-N 3.24Å; S258-S261 PolarHBondContact O-OG 3.39Å; S258-Q262 WeakPolarHBondContact O-CB 3.42Å; S258-Q262 VanDerWaalsContact O-CG 3.31Å; S258-Q262 WeakPolarHBondContact O-CG 3.45Å; S258-Q262 PolarHBondContact O-N 3.15Å
259	L	84.3	Confident	82.1	Confident	64 Å²	64	35.2 Å²	35.2	34%	0.335	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-41.2	175.4	-67.7	173.2	0	0	0	111.6	S255 D256 W263 A439	S255-L259 WeakPolarHBondContact O-CG 3.45Å; S255-L259 PolarHBondContact O-N 3.44Å; D256-L259 PolarHBondContact O-N 3.2Å; L259-W263 VanDerWaalsContact O-CB 3.29Å; L259-W263 WeakPolarHBondContact O-CB 3.45Å; L259-W263 PolarHBondContact O-N 2.88Å; L259-A439 HydrophobicContact CB-CB 4.27Å
260	M	84.4	Confident	82	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-42.4	177.2	-175	-179.3	178.7	0	0	112.7	L141 I225 D256 S258 L264 A440 V443 F444	L141-M260 HydrophobicContact CD2-CE 3.32Å; L141-M260 HydrophobicContact CD2-CG 3.67Å; L141-M260 HydrophobicContact CD2-SD 4.32Å; L141-M260 HydrophobicContact CG-CE 4.21Å; I225-M260 HydrophobicContact CD1-CE 4.3Å; I225-M260 HydrophobicContact CD1-CG 4.2Å; I225-M260 HydrophobicContact CD1-SD 4.03Å; I225-M260 HydrophobicContact CG2-SD 4.22Å; D256-M260 VanDerWaalsContact O-CB 3.26Å; D256-M260 WeakPolarHBondContact O-CB 3.46Å; D256-M260 PolarHBondContact O-N 2.61Å; S258-M260 VanDerWaalsContact C-N 3.29Å; S258-M260 PolarHBondContact O-N 3.06Å; M260-L264 PolarHBondContact O-N 3.07Å; M260-A440 HydrophobicContact CE-CB 4.38Å; M260-A440 HydrophobicContact CG-CB 4.04Å; M260-A440 HydrophobicContact SD-CB 4.37Å; M260-V443 HydrophobicContact CE-CG1 4.38Å; M260-V443 HydrophobicContact SD-CB 3.67Å; M260-V443 HydrophobicContact SD-CG1 3.56Å; M260-V443 VanDerWaalsContact SD-CG1 3.56Å; M260-V443 HydrophobicContact SD-CG2 4.09Å; M260-F444 HydrophobicContact CE-CD1 4.26Å; M260-F444 HydrophobicContact CE-CD2 4.06Å; M260-F444 HydrophobicContact CE-CE1 3.66Å; M260-F444 HydrophobicContact CE-CE2 3.46Å; M260-F444 VanDerWaalsContact CE-CE2 3.46Å; M260-F444 HydrophobicContact CE-CG 4.45Å; M260-F444 HydrophobicContact CE-CZ 3.22Å
261	S	83.6	Confident	81.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.5	-39.2	177.3	52.4	0	0	0	0	113	N222 T257 S258 W263 L264 S265	N222-S261 WeakPolarHBondContact CB-OG 3.25Å; N222-S261 PolarHBondContact ND2-OG 2.98Å; T257-S261 PolarHBondContact O-N 3.29Å; T257-S261 PolarHBondContact O-OG 3.37Å; T257-S261 VanDerWaalsContact O-OG 3.1Å; S258-S261 PolarHBondContact O-N 3.24Å; S258-S261 PolarHBondContact O-OG 3.39Å; S261-W263 VanDerWaalsContact C-N 3.32Å; S261-L264 PolarHBondContact O-N 3.11Å; S261-S265 PolarHBondContact O-N 3.01Å; S261-S265 PolarHBondContact O-OG 3.5Å
262	Q	80.7	Confident	82	Confident	70 Å²	70	34.7 Å²	34.7	33%	0.327	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-43.8	174.5	-79.7	176.2	-0.7	0	0	110.8	E218 S258 L264 S265 L266	E218-Q262 WeakPolarHBondContact OE1-CG 3.24Å; S258-Q262 WeakPolarHBondContact O-CB 3.42Å; S258-Q262 VanDerWaalsContact O-CG 3.31Å; S258-Q262 WeakPolarHBondContact O-CG 3.45Å; S258-Q262 PolarHBondContact O-N 3.15Å; Q262-L264 VanDerWaalsContact C-N 3.28Å; Q262-L264 PolarHBondContact O-N 3.32Å; Q262-S265 PolarHBondContact O-N 3.35Å; Q262-L266 HydrophobicContact CB-CD1 4.14Å; Q262-L266 HydrophobicContact CG-CD1 4.09Å; Q262-L266 WeakPolarHBondContact O-CB 3.37Å; Q262-L266 PolarHBondContact O-N 2.88Å
263	W	75.5	Confident	82.2	Confident	22 Å²	22	36.1 Å²	36.1	8%	0.083	20%	0.199	C	C	.	.	I	π-helix	trans	-55.2	-45.8	178.5	-178.4	92.8	0	0	0	111.5	M138 L141 L259 S261 S265 N267 M433 N436	M138-W263 HydrophobicContact CB-CH2 4.45Å; M138-W263 HydrophobicContact CE-CH2 3.95Å; M138-W263 HydrophobicContact CE-CZ2 3.59Å; M138-W263 HydrophobicContact CG-CH2 3.71Å; M138-W263 HydrophobicContact CG-CZ2 4.15Å; L141-W263 HydrophobicContact CB-CZ3 4.38Å; L141-W263 HydrophobicContact CD1-CE3 3.82Å; L141-W263 HydrophobicContact CD1-CH2 4.37Å; L141-W263 HydrophobicContact CD1-CZ3 3.68Å; L259-W263 VanDerWaalsContact O-CB 3.29Å; L259-W263 WeakPolarHBondContact O-CB 3.45Å; L259-W263 PolarHBondContact O-N 2.88Å; S261-W263 VanDerWaalsContact C-N 3.32Å; W263-S265 PolarHBondContact O-N 3.11Å; W263-N267 WeakPolarHBondContact O-CB 3.49Å; W263-N267 PolarHBondContact O-N 3.35Å; W263-M433 HydrophobicContact CH2-CE 4.22Å; W263-M433 HydrophobicContact CZ2-CE 3.72Å; W263-M433 HydrophobicContact CZ2-CG 4.35Å; W263-M433 HydrophobicContact CZ2-SD 4.35Å; W263-N436 VanDerWaalsContact CD1-CB 3.47Å; W263-N436 HydrophobicContact CG-CB 4.43Å
264	L	72.7	Confident	82.2	Confident	11 Å²	11	34.7 Å²	34.7	6%	0.058	19%	0.192	C	C	.	.	I	π-helix	trans	-68.6	-37.2	-176.7	-171.2	64	0	0	0	112.7	L141 L142 S145 I221 M260 S261 Q262 A268	L141-L264 HydrophobicContact CB-CD1 4.33Å; L142-L264 HydrophobicContact CD2-CD1 4.07Å; S145-L264 VanDerWaalsContact CB-CD2 3.42Å; I221-L264 HydrophobicContact CD1-CD2 3.83Å; M260-L264 PolarHBondContact O-N 3.07Å; S261-L264 PolarHBondContact O-N 3.11Å; Q262-L264 VanDerWaalsContact C-N 3.28Å; Q262-L264 PolarHBondContact O-N 3.32Å; L264-A268 WeakPolarHBondContact O-CB 3.37Å
265	S	75	Confident	82.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-92.3	-52	-168.6	-43.7	0	0	0	0	111.6	F214 E218 S261 Q262 W263 N269	F214-S265 WeakPolarHBondContact CD1-O 3.29Å; E218-S265 WeakPolarHBondContact CA-OG 3.26Å; E218-S265 WeakPolarHBondContact CB-OG 3.14Å; S261-S265 PolarHBondContact O-N 3.01Å; S261-S265 PolarHBondContact O-OG 3.5Å; Q262-S265 PolarHBondContact O-N 3.35Å; W263-S265 PolarHBondContact O-N 3.11Å; S265-N269 VanDerWaalsContact O-CB 3.31Å; S265-N269 WeakPolarHBondContact O-CB 3.45Å; S265-N269 PolarHBondContact O-N 3.04Å; S265-N269 VanDerWaalsContact O-N 3.16Å
266	L	72.5	Confident	82.6	Confident	70 Å²	70	36.5 Å²	36.5	37%	0.366	19%	0.194	S	C	.	.	I	π-helix	trans	-75.1	-41.7	-177.5	-68.1	168.9	0	0	0	111.7	Q262 N269 I270	Q262-L266 HydrophobicContact CB-CD1 4.14Å; Q262-L266 HydrophobicContact CG-CD1 4.09Å; Q262-L266 WeakPolarHBondContact O-CB 3.37Å; Q262-L266 PolarHBondContact O-N 2.88Å; L266-N269 PolarHBondContact O-N 2.88Å; L266-I270 WeakPolarHBondContact O-CG1 3.36Å; L266-I270 PolarHBondContact O-N 3.41Å
267	N	77.4	Confident	82.8	Confident	23 Å²	23	35.7 Å²	35.7	12%	0.123	19%	0.19	C	C	.	.	I	π-helix	trans	-73.2	-34.2	179.1	-64.3	-40.8	0	0	0	112	W263 N269 L271 M429 M433	W263-N267 WeakPolarHBondContact O-CB 3.49Å; W263-N267 PolarHBondContact O-N 3.35Å; N267-N269 VanDerWaalsContact C-N 3.33Å; N267-N269 PolarHBondContact O-N 2.89Å; N267-L271 VanDerWaalsContact O-CB 3.26Å; N267-L271 WeakPolarHBondContact O-CB 3.34Å; N267-L271 WeakPolarHBondContact O-CD1 3.18Å; N267-L271 PolarHBondContact O-N 3.42Å; N267-M429 HydrophobicContact CB-CE 3.57Å; N267-M429 WeakPolarHBondContact O-CE 3.41Å; N267-M433 HydrophobicContact CB-CE 4.17Å
268	A	76.6	Confident	82.9	Confident	32 Å²	32	36.7 Å²	36.7	26%	0.264	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-42.5	172.2	0	0	0	0	0	111.6	L264 L272	L264-A268 WeakPolarHBondContact O-CB 3.37Å; A268-L272 WeakPolarHBondContact O-CB 3.1Å; A268-L272 PolarHBondContact O-N 3.4Å; A268-L272 VanDerWaalsContact O-N 3.07Å
269	N	83.6	Confident	83	Confident	23 Å²	23	39.3 Å²	39.3	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-54	177.1	177.5	32.1	0	0	0	112.1	L159 F214 S265 L266 N267 R273	L159-N269 WeakPolarHBondContact CD1-OD1 3.48Å; F214-N269 HydrophobicContact CD1-CB 4.24Å; F214-N269 HydrophobicContact CD2-CB 3.78Å; F214-N269 HydrophobicContact CE1-CB 4.06Å; F214-N269 HydrophobicContact CE2-CB 3.58Å; F214-N269 WeakPolarHBondContact CE2-OD1 3.41Å; F214-N269 HydrophobicContact CG-CB 4.12Å; F214-N269 HydrophobicContact CZ-CB 3.74Å; S265-N269 VanDerWaalsContact O-CB 3.31Å; S265-N269 WeakPolarHBondContact O-CB 3.45Å; S265-N269 PolarHBondContact O-N 3.04Å; S265-N269 VanDerWaalsContact O-N 3.16Å; L266-N269 PolarHBondContact O-N 2.88Å; N267-N269 VanDerWaalsContact C-N 3.33Å; N267-N269 PolarHBondContact O-N 2.89Å; N269-R273 WeakPolarHBondContact O-CB 3.48Å; N269-R273 PolarHBondContact O-N 3.29Å
270	I	84.6	Confident	83.3	Confident	64 Å²	64	37 Å²	37	33%	0.328	20%	0.201	S	C	.	.	H	α-helix	trans	-67.9	-38.4	-176.1	-63.6	164.7	0	0	0	111.1	L266 S274 N425 M429	L266-I270 WeakPolarHBondContact O-CG1 3.36Å; L266-I270 PolarHBondContact O-N 3.41Å; I270-S274 WeakPolarHBondContact O-CB 3.42Å; I270-S274 PolarHBondContact O-N 3.3Å; I270-S274 PolarHBondContact O-OG 3.49Å; I270-N425 HydrophobicContact CG2-CB 4.48Å; I270-M429 HydrophobicContact CB-CE 3.47Å; I270-M429 VanDerWaalsContact CB-CE 3.47Å; I270-M429 HydrophobicContact CB-SD 4.06Å; I270-M429 HydrophobicContact CG2-CE 3.72Å; I270-M429 HydrophobicContact CG2-SD 3.69Å
271	L	83.6	Confident	83.7	Confident	44 Å²	44	36.8 Å²	36.8	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-56.9	177.2	-112	111.1	0	0	0	109.2	N267 R273 S274 L275 L426 M429 M433	N267-L271 VanDerWaalsContact O-CB 3.26Å; N267-L271 WeakPolarHBondContact O-CB 3.34Å; N267-L271 WeakPolarHBondContact O-CD1 3.18Å; N267-L271 PolarHBondContact O-N 3.42Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.42Å; L271-S274 PolarHBondContact O-N 3.28Å; L271-L275 VanDerWaalsContact O-CB 3.26Å; L271-L275 WeakPolarHBondContact O-CB 3.05Å; L271-L275 PolarHBondContact O-N 3.04Å; L271-L426 HydrophobicContact CD2-CD2 3.7Å; L271-M429 VanDerWaalsContact CA-SD 3.56Å; L271-M429 HydrophobicContact CB-CE 4.16Å; L271-M429 HydrophobicContact CB-SD 3.96Å; L271-M429 HydrophobicContact CD1-CE 3.61Å; L271-M429 HydrophobicContact CD1-CG 3.84Å; L271-M429 HydrophobicContact CD1-SD 3.61Å; L271-M429 HydrophobicContact CD2-CE 4.48Å; L271-M429 HydrophobicContact CD2-CG 3.96Å; L271-M429 HydrophobicContact CD2-SD 3.43Å; L271-M429 WeakPolarHBondContact CD2-SD 3.37Å; L271-M429 HydrophobicContact CG-CE 4.17Å; L271-M429 HydrophobicContact CG-CG 4.38Å; L271-M429 HydrophobicContact CG-SD 3.72Å; L271-M429 VanDerWaalsContact N-CE 3.31Å; L271-M429 PolarHBondContact N-SD 2.96Å; L271-M429 VanDerWaalsContact N-SD 3.38Å; L271-M433 HydrophobicContact CD1-CE 3.11Å; L271-M433 HydrophobicContact CD1-CG 4.2Å; L271-M433 HydrophobicContact CD1-SD 3.49Å; L271-M433 WeakPolarHBondContact CD1-SD 3.32Å; L271-M433 HydrophobicContact CG-CE 4.44Å
272	L	83.6	Confident	84	Confident	65 Å²	65	38.5 Å²	38.5	34%	0.34	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-42.9	-171.1	-170.3	75.8	0	0	0	110	F156 L159 A268 S274 L275 V276	F156-L272 HydrophobicContact CD1-CD2 3.15Å; F156-L272 HydrophobicContact CE1-CB 4.21Å; F156-L272 HydrophobicContact CE1-CD2 3.23Å; F156-L272 HydrophobicContact CE1-CG 4.3Å; F156-L272 HydrophobicContact CG-CD2 4.27Å; F156-L272 HydrophobicContact CZ-CD2 4.38Å; L159-L272 HydrophobicContact CD1-CB 4.43Å; L159-L272 HydrophobicContact CD1-CD2 4.44Å; L159-L272 HydrophobicContact CD2-CD2 4.15Å; L159-L272 HydrophobicContact CD2-CG 4.4Å; A268-L272 WeakPolarHBondContact O-CB 3.1Å; A268-L272 PolarHBondContact O-N 3.4Å; A268-L272 VanDerWaalsContact O-N 3.07Å; L272-S274 PolarHBondContact O-N 3.23Å; L272-L275 PolarHBondContact O-N 3.34Å; L272-V276 HydrophobicContact CG-CG2 4.31Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.37Å; L272-V276 PolarHBondContact O-N 3.03Å
273	R	87.4	Confident	84.5	Confident	63 Å²	63	41.9 Å²	41.9	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-51.8	175.2	-175.7	-172	179.8	-174.4	3.2	110.8	L159 V163 E166 R210 N269 L271 L275 V276 K277	L159-R273 HydrophobicContact CD1-CB 4.03Å; L159-R273 HydrophobicContact CD2-CB 4.47Å; L159-R273 HydrophobicContact CG-CB 4.25Å; V163-R273 HydrophobicContact CG2-CG 3.83Å; E166-R273 IonicContact OE1-CZ 2.8Å; E166-R273 IonicContact OE1-NH2 3.89Å; E166-R273 PolarHBondContact OE1-NH2 3.07Å; E166-R273 IonicContact OE2-CZ 3.77Å; E166-R273 IonicContact OE2-NE 3Å; E166-R273 IonicContact OE2-NH2 3.3Å; E166-R273 PolarHBondContact OE2-NH2 3.05Å; R210-R273 VanDerWaalsContact NH1-CZ 3.25Å; R210-R273 VanDerWaalsContact NH2-CZ 3.28Å; R210-R273 VanDerWaalsContact NH2-NH1 3.18Å; N269-R273 WeakPolarHBondContact O-CB 3.48Å; N269-R273 PolarHBondContact O-N 3.29Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.42Å; R273-L275 VanDerWaalsContact C-N 3.33Å; R273-L275 PolarHBondContact O-N 3.41Å; R273-V276 PolarHBondContact O-N 3.27Å; R273-K277 HydrophobicContact CG-CG 4.43Å; R273-K277 VanDerWaalsContact O-CB 3.24Å; R273-K277 WeakPolarHBondContact O-CB 3.49Å; R273-K277 WeakPolarHBondContact O-CG 3.43Å; R273-K277 PolarHBondContact O-N 2.87Å
274	S	89.3	Confident	85.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-38	-175.8	-56.3	0	0	0	0	111.1	I270 L271 L272 K277 V278	I270-S274 WeakPolarHBondContact O-CB 3.42Å; I270-S274 PolarHBondContact O-N 3.3Å; I270-S274 PolarHBondContact O-OG 3.49Å; L271-S274 PolarHBondContact O-N 3.28Å; L272-S274 PolarHBondContact O-N 3.23Å; S274-K277 PolarHBondContact O-N 3.46Å; S274-V278 WeakPolarHBondContact O-CB 3.25Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 2.95Å
275	L	88.2	Confident	86.1	Confident	95 Å²	95	41.6 Å²	41.6	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-50.5	175.4	-172.4	129.3	0	0	0	111.6	L271 L272 R273 K277 V278 V279 L426	L271-L275 VanDerWaalsContact O-CB 3.26Å; L271-L275 WeakPolarHBondContact O-CB 3.05Å; L271-L275 PolarHBondContact O-N 3.04Å; L272-L275 PolarHBondContact O-N 3.34Å; R273-L275 VanDerWaalsContact C-N 3.33Å; R273-L275 PolarHBondContact O-N 3.41Å; L275-K277 PolarHBondContact O-N 2.85Å; L275-V278 PolarHBondContact O-N 3.16Å; L275-V279 WeakPolarHBondContact O-CG2 3.22Å; L275-V279 PolarHBondContact O-N 3.42Å; L275-V279 VanDerWaalsContact O-N 3.1Å; L275-L426 HydrophobicContact CB-CD2 4.4Å
276	V	89.5	Confident	86.9	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.345	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-41.7	178.2	179.4	0	0	0	0	110.9	V163 M167 L272 R273 G280	V163-V276 HydrophobicContact CB-CG1 4.44Å; V163-V276 HydrophobicContact CG1-CB 4.41Å; V163-V276 HydrophobicContact CG1-CG1 3.75Å; M167-V276 WeakPolarHBondContact CE-O 3.47Å; L272-V276 HydrophobicContact CG-CG2 4.31Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.37Å; L272-V276 PolarHBondContact O-N 3.03Å; R273-V276 PolarHBondContact O-N 3.27Å; V276-G280 PolarHBondContact O-N 3.46Å
277	K	90.4	Very high	87.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-50.5	175.9	-89.2	-79.5	-169	163	0	112.2	V163 E166 M167 R273 S274 L275 V279 G280 L281 E418 H422	V163-K277 HydrophobicContact CG1-CD 3.96Å; V163-K277 HydrophobicContact CG1-CG 3.77Å; V163-K277 HydrophobicContact CG2-CG 4.03Å; E166-K277 WeakPolarHBondContact OE2-CE 3.44Å; E166-K277 IonicContact OE2-NZ 3.68Å; E166-K277 PolarHBondContact OE2-NZ 3.35Å; E166-K277 VanDerWaalsContact OE2-NZ 3.12Å; M167-K277 HydrophobicContact CE-CD 4.16Å; R273-K277 HydrophobicContact CG-CG 4.43Å; R273-K277 VanDerWaalsContact O-CB 3.24Å; R273-K277 WeakPolarHBondContact O-CB 3.49Å; R273-K277 WeakPolarHBondContact O-CG 3.43Å; R273-K277 PolarHBondContact O-N 2.87Å; S274-K277 PolarHBondContact O-N 3.46Å; L275-K277 PolarHBondContact O-N 2.85Å; K277-V279 PolarHBondContact O-N 3.49Å; K277-G280 PolarHBondContact O-N 2.86Å; K277-L281 HydrophobicContact CB-CD1 4.4Å; K277-L281 HydrophobicContact CD-CD1 3.96Å; K277-L281 HydrophobicContact CD-CG 4.21Å; K277-L281 WeakPolarHBondContact O-CB 3.49Å; K277-L281 WeakPolarHBondContact O-CG 3.07Å; K277-L281 PolarHBondContact O-N 3.23Å; K277-E418 IonicContact NZ-OE2 3.39Å; K277-E418 PolarHBondContact NZ-OE2 2.86Å; K277-H422 HydrophobicContact CB-CB 4.36Å
278	V	90.3	Very high	88.2	Confident	20 Å²	20	48.4 Å²	48.4	12%	0.121	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-48.7	179.6	167.7	0	0	0	0	110.7	S274 L275 Y282 H422 V423 L426	S274-V278 WeakPolarHBondContact O-CB 3.25Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 2.95Å; L275-V278 PolarHBondContact O-N 3.16Å; V278-Y282 HydrophobicContact CG1-CD2 3.69Å; V278-Y282 HydrophobicContact CG1-CE2 3.72Å; V278-Y282 WeakPolarHBondContact O-CB 3.26Å; V278-Y282 WeakPolarHBondContact O-CD2 3.44Å; V278-Y282 PolarHBondContact O-N 2.83Å; V278-Y282 VanDerWaalsContact O-N 3.08Å; V278-H422 HydrophobicContact CG2-CB 3.71Å; V278-V423 HydrophobicContact CG1-CG2 4.02Å; V278-V423 HydrophobicContact CG2-CG2 3.61Å; V278-L426 HydrophobicContact CB-CD1 4.33Å; V278-L426 HydrophobicContact CG2-CD1 3.86Å
279	V	90.4	Very high	88.8	Confident	97 Å²	97	47.1 Å²	47.1	59%	0.588	24%	0.239	S	C	*	.	H	α-helix	trans	-62.3	-48.8	179.5	176.4	0	0	0	0	111.7	L275 K277 Y283	L275-V279 WeakPolarHBondContact O-CG2 3.22Å; L275-V279 PolarHBondContact O-N 3.42Å; L275-V279 VanDerWaalsContact O-N 3.1Å; K277-V279 PolarHBondContact O-N 3.49Å; V279-Y283 PolarHBondContact O-N 2.99Å; V279-Y283 VanDerWaalsContact O-N 3.11Å
280	G	90.6	Very high	89	Confident	14 Å²	14	49.5 Å²	49.5	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-71.4	-37.6	-176.4	0	0	0	0	0	113.4	M167 V276 K277 Y283 F284	M167-G280 VanDerWaalsContact CE-CA 3.43Å; V276-G280 PolarHBondContact O-N 3.46Å; K277-G280 PolarHBondContact O-N 2.86Å; G280-Y283 WeakPolarHBondContact O-CB 3.29Å; G280-Y283 PolarHBondContact O-N 3.02Å; G280-F284 WeakPolarHBondContact O-CD2 2.99Å; G280-F284 PolarHBondContact O-N 3.48Å
281	L	91.8	Very high	89	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-41.3	177.6	-68.2	174.5	0	0	0	111.7	M167 K277 Y283 F284 M285 Y415 E418 V419	M167-L281 HydrophobicContact CE-CG 4.46Å; M167-L281 HydrophobicContact CG-CD2 3.99Å; M167-L281 HydrophobicContact CG-CG 4.49Å; K277-L281 HydrophobicContact CB-CD1 4.4Å; K277-L281 HydrophobicContact CD-CD1 3.96Å; K277-L281 HydrophobicContact CD-CG 4.21Å; K277-L281 WeakPolarHBondContact O-CB 3.49Å; K277-L281 WeakPolarHBondContact O-CG 3.07Å; K277-L281 PolarHBondContact O-N 3.23Å; L281-Y283 VanDerWaalsContact C-N 3.25Å; L281-Y283 PolarHBondContact O-N 2.77Å; L281-F284 PolarHBondContact O-N 3.03Å; L281-M285 VanDerWaalsContact O-CG 3.31Å; L281-M285 WeakPolarHBondContact O-CG 3.38Å; L281-M285 PolarHBondContact O-N 2.92Å; L281-Y415 HydrophobicContact CD2-CD1 3.54Å; L281-Y415 HydrophobicContact CD2-CE1 3.9Å; L281-Y415 HydrophobicContact CD2-CG 4.49Å; L281-E418 HydrophobicContact CD1-CB 3.68Å; L281-V419 HydrophobicContact CB-CG2 3.23Å; L281-V419 HydrophobicContact CD1-CG2 3.64Å; L281-V419 HydrophobicContact CG-CG2 4.08Å
282	Y	90.3	Very high	89.1	Confident	37 Å²	37	51.8 Å²	51.8	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-37.1	172	-86.1	-55.9	0	0	0	112.1	V278 M285 L286 T293 L297 L300 V419 V423	V278-Y282 HydrophobicContact CG1-CD2 3.69Å; V278-Y282 HydrophobicContact CG1-CE2 3.72Å; V278-Y282 WeakPolarHBondContact O-CB 3.26Å; V278-Y282 WeakPolarHBondContact O-CD2 3.44Å; V278-Y282 PolarHBondContact O-N 2.83Å; V278-Y282 VanDerWaalsContact O-N 3.08Å; Y282-M285 HydrophobicContact CD1-SD 4.27Å; Y282-M285 PolarHBondContact O-N 3.47Å; Y282-L286 WeakPolarHBondContact O-CB 3.33Å; Y282-L286 VanDerWaalsContact O-CG 3.29Å; Y282-L286 WeakPolarHBondContact O-CG 3.35Å; Y282-L286 PolarHBondContact O-N 2.9Å; Y282-T293 HydrophobicContact CD1-CG2 4.08Å; Y282-L297 HydrophobicContact CE1-CD2 3.74Å; Y282-L297 HydrophobicContact CE1-CG 4.21Å; Y282-L297 HydrophobicContact CE2-CD2 4.49Å; Y282-L300 WeakPolarHBondContact OH-CD1 3.27Å; Y282-V419 HydrophobicContact CD2-CG1 4.28Å; Y282-V419 HydrophobicContact CE1-CG1 4Å; Y282-V419 HydrophobicContact CE2-CG1 3.63Å; Y282-V419 VanDerWaalsContact CZ-CG1 3.44Å; Y282-V419 WeakPolarHBondContact OH-CG1 3.49Å; Y282-V423 HydrophobicContact CE2-CG2 4.46Å
283	Y	91.5	Very high	89.3	Confident	140 Å²	140	48.8 Å²	48.8	55%	0.549	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-46.7	173.8	173.9	-97.6	0	0	0	112	V279 G280 L281 L286 Q287	V279-Y283 PolarHBondContact O-N 2.99Å; V279-Y283 VanDerWaalsContact O-N 3.11Å; G280-Y283 WeakPolarHBondContact O-CB 3.29Å; G280-Y283 PolarHBondContact O-N 3.02Å; L281-Y283 VanDerWaalsContact C-N 3.25Å; L281-Y283 PolarHBondContact O-N 2.77Å; Y283-L286 PolarHBondContact O-N 3.05Å; Y283-Q287 PolarHBondContact O-N 3.06Å; Y283-Q287 PolarHBondContact OH-NE2 3.44Å
284	F	90.6	Very high	89.3	Confident	27 Å²	27	51.8 Å²	51.8	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-39.9	175.3	-79.5	-75	0	0	0	112.8	M167 F168 G280 L281 L286 Q287 V288 Y415	M167-F284 HydrophobicContact CB-CD2 4.17Å; M167-F284 HydrophobicContact CB-CE2 3.74Å; M167-F284 HydrophobicContact CG-CD2 4.49Å; M167-F284 HydrophobicContact CG-CE2 4.3Å; M167-F284 HydrophobicContact SD-CD2 4.39Å; M167-F284 HydrophobicContact SD-CE2 4.03Å; F168-F284 HydrophobicContact CE1-CE1 4.34Å; F168-F284 HydrophobicContact CE1-CZ 4.14Å; F168-F284 HydrophobicContact CE2-CZ 4.44Å; F168-F284 HydrophobicContact CZ-CZ 4.04Å; G280-F284 WeakPolarHBondContact O-CD2 2.99Å; G280-F284 PolarHBondContact O-N 3.48Å; L281-F284 PolarHBondContact O-N 3.03Å; F284-L286 VanDerWaalsContact C-N 3.34Å; F284-L286 PolarHBondContact O-N 2.93Å; F284-Q287 WeakPolarHBondContact O-CB 3.37Å; F284-Q287 PolarHBondContact O-N 3.05Å; F284-V288 PolarHBondContact O-N 2.7Å; F284-Y415 HydrophobicContact CB-CD2 4.27Å; F284-Y415 HydrophobicContact CB-CE1 4.49Å; F284-Y415 HydrophobicContact CB-CE2 3.84Å
285	M	90.6	Very high	89.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-41.9	176.3	-70.2	175.2	75.2	0	0	112	L281 Y282 Q287 V288 S289 T293 F412 Y415 Q416 V419	L281-M285 VanDerWaalsContact O-CG 3.31Å; L281-M285 WeakPolarHBondContact O-CG 3.38Å; L281-M285 PolarHBondContact O-N 2.92Å; Y282-M285 HydrophobicContact CD1-SD 4.27Å; Y282-M285 PolarHBondContact O-N 3.47Å; M285-Q287 VanDerWaalsContact C-N 3.3Å; M285-Q287 PolarHBondContact O-N 3.39Å; M285-V288 PolarHBondContact O-N 3.5Å; M285-S289 PolarHBondContact O-N 3.34Å; M285-T293 HydrophobicContact CB-CG2 4.15Å; M285-T293 PolarHBondContact O-OG1 3.18Å; M285-T293 VanDerWaalsContact O-OG1 3.05Å; M285-F412 HydrophobicContact CB-CD2 4.3Å; M285-F412 HydrophobicContact CB-CE2 3.96Å; M285-F412 HydrophobicContact CE-CD2 4.24Å; M285-F412 HydrophobicContact CE-CE1 3.96Å; M285-F412 HydrophobicContact CE-CE2 3.51Å; M285-F412 HydrophobicContact CE-CZ 3.31Å; M285-F412 HydrophobicContact CG-CD2 4.36Å; M285-F412 HydrophobicContact CG-CE2 4.21Å; M285-Y415 HydrophobicContact CG-CD2 4.42Å; M285-Y415 HydrophobicContact CG-CG 4.35Å; M285-Q416 HydrophobicContact CE-CB 3.9Å; M285-Q416 HydrophobicContact CE-CG 4.36Å; M285-V419 HydrophobicContact SD-CB 4.48Å; M285-V419 HydrophobicContact SD-CG2 3.86Å
286	L	91	Very high	88.9	Confident	78 Å²	78	49 Å²	49	41%	0.408	24%	0.242	S	C	.	.	H	α-helix	trans	-63	-34.9	176.3	-74.8	170.8	0	0	0	112.6	Y282 Y283 F284 P290 T293	Y282-L286 WeakPolarHBondContact O-CB 3.33Å; Y282-L286 VanDerWaalsContact O-CG 3.29Å; Y282-L286 WeakPolarHBondContact O-CG 3.35Å; Y282-L286 PolarHBondContact O-N 2.9Å; Y283-L286 PolarHBondContact O-N 3.05Å; F284-L286 VanDerWaalsContact C-N 3.34Å; F284-L286 PolarHBondContact O-N 2.93Å; L286-P290 WeakPolarHBondContact O-CD 3.45Å; L286-T293 HydrophobicContact CD2-CG2 3.75Å; L286-T293 HydrophobicContact CG-CG2 4.01Å; L286-T293 PolarHBondContact N-OG1 3.41Å
287	Q	89.3	Confident	88.6	Confident	119 Å²	119	49.3 Å²	49.3	56%	0.556	24%	0.242	S	C	*	.	H	α-helix	trans	-67.5	-36.1	174.9	-71.6	-167.6	-3.5	0	0	112.8	Y283 F284 M285	Y283-Q287 PolarHBondContact O-N 3.06Å; Y283-Q287 PolarHBondContact OH-NE2 3.44Å; F284-Q287 WeakPolarHBondContact O-CB 3.37Å; F284-Q287 PolarHBondContact O-N 3.05Å; M285-Q287 VanDerWaalsContact C-N 3.3Å; M285-Q287 PolarHBondContact O-N 3.39Å
288	V	88.4	Confident	88.2	Confident	39 Å²	39	54.1 Å²	54.1	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-72	-56	178.8	176.3	0	0	0	0	110.6	F284 M285 V404 G408 F412	F284-V288 PolarHBondContact O-N 2.7Å; M285-V288 PolarHBondContact O-N 3.5Å; V288-V404 HydrophobicContact CG1-CG1 4.27Å; V288-G408 WeakPolarHBondContact CG1-O 3.48Å; V288-F412 HydrophobicContact CG1-CB 4.26Å
289	S	88.9	Confident	87.7	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.042	27%	0.27	C	S	.	.			trans	-158.7	121.4	172.6	64.2	0	0	0	0	112	M285 R291 L292 T293	M285-S289 PolarHBondContact O-N 3.34Å; S289-R291 VanDerWaalsContact C-N 3.27Å; S289-R291 PolarHBondContact O-N 3.46Å; S289-L292 WeakPolarHBondContact OG-CB 3.29Å; S289-L292 VanDerWaalsContact OG-CD1 3.3Å; S289-L292 WeakPolarHBondContact OG-CD1 3.46Å; S289-L292 WeakPolarHBondContact OG-CG 3.49Å; S289-T293 PolarHBondContact O-N 3.49Å; S289-T293 PolarHBondContact O-OG1 3Å
290	P	87.8	Confident	87.2	Confident	73 Å²	73	52 Å²	52	47%	0.474	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-36.8	174.9	-26.1	34.9	0	0	0	112.5	L286 T293 F294	L286-P290 WeakPolarHBondContact O-CD 3.45Å; P290-T293 PolarHBondContact O-N 3.15Å; P290-F294 HydrophobicContact CB-CE2 4.39Å; P290-F294 WeakPolarHBondContact O-CD2 3.48Å; P290-F294 PolarHBondContact O-N 2.99Å
291	R	84.9	Confident	86.6	Confident	155 Å²	155	53.3 Å²	53.3	59%	0.585	26%	0.257	S	S	*	.	H	α-helix	trans	-64.2	-47.4	-177.5	-70.1	-179.4	179.6	163.9	0.3	112.9	S289 T293 L295 E403	S289-R291 VanDerWaalsContact C-N 3.27Å; S289-R291 PolarHBondContact O-N 3.46Å; R291-T293 VanDerWaalsContact C-N 3.3Å; R291-L295 PolarHBondContact O-N 3.38Å; R291-E403 IonicContact CZ-OE1 2.73Å; R291-E403 IonicContact CZ-OE2 2.75Å; R291-E403 IonicContact NH1-OE1 3.73Å; R291-E403 PolarHBondContact NH1-OE1 3.45Å; R291-E403 IonicContact NH1-OE2 3.81Å; R291-E403 PolarHBondContact NH1-OE2 3.28Å; R291-E403 IonicContact NH2-OE1 3.71Å
292	L	86.3	Confident	86	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-33	176.3	-57.8	177	0	0	0	110.9	S289 L295 S296 V394 L409 F412	S289-L292 WeakPolarHBondContact OG-CB 3.29Å; S289-L292 VanDerWaalsContact OG-CD1 3.3Å; S289-L292 WeakPolarHBondContact OG-CD1 3.46Å; S289-L292 WeakPolarHBondContact OG-CG 3.49Å; L292-L295 WeakPolarHBondContact O-CB 3.48Å; L292-L295 PolarHBondContact O-N 2.85Å; L292-S296 PolarHBondContact O-N 3.45Å; L292-V394 HydrophobicContact CD2-CB 4.01Å; L292-V394 HydrophobicContact CD2-CG1 3.68Å; L292-L409 HydrophobicContact CD1-CD1 3.88Å; L292-F412 HydrophobicContact CB-CD1 4.2Å; L292-F412 HydrophobicContact CB-CD2 4.16Å; L292-F412 HydrophobicContact CB-CE1 3.67Å; L292-F412 HydrophobicContact CB-CE2 3.6Å; L292-F412 HydrophobicContact CB-CG 4.44Å; L292-F412 HydrophobicContact CB-CZ 3.35Å; L292-F412 HydrophobicContact CD1-CD1 4.21Å; L292-F412 HydrophobicContact CD1-CE1 4.48Å; L292-F412 HydrophobicContact CD1-CG 4.26Å; L292-F412 WeakPolarHBondContact O-CZ 3.23Å
293	T	88.3	Confident	85.4	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-48.1	176.9	-52.3	0	0	0	0	111.8	Y282 M285 L286 S289 P290 R291 L295 S296 L297	Y282-T293 HydrophobicContact CD1-CG2 4.08Å; M285-T293 HydrophobicContact CB-CG2 4.15Å; M285-T293 PolarHBondContact O-OG1 3.18Å; M285-T293 VanDerWaalsContact O-OG1 3.05Å; L286-T293 HydrophobicContact CD2-CG2 3.75Å; L286-T293 HydrophobicContact CG-CG2 4.01Å; L286-T293 PolarHBondContact N-OG1 3.41Å; S289-T293 PolarHBondContact O-N 3.49Å; S289-T293 PolarHBondContact O-OG1 3Å; P290-T293 PolarHBondContact O-N 3.15Å; R291-T293 VanDerWaalsContact C-N 3.3Å; T293-L295 VanDerWaalsContact C-N 3.27Å; T293-L295 PolarHBondContact O-N 2.96Å; T293-S296 PolarHBondContact O-N 3.42Å; T293-S296 VanDerWaalsContact O-N 3.17Å; T293-S296 PolarHBondContact O-OG 3.29Å; T293-L297 PolarHBondContact O-N 3.34Å
294	F	85.9	Confident	84.8	Confident	127 Å²	127	52.4 Å²	52.4	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-62.6	-35.3	175.3	-74.6	-62.2	0	0	0	112.9	P290 L297	P290-F294 HydrophobicContact CB-CE2 4.39Å; P290-F294 WeakPolarHBondContact O-CD2 3.48Å; P290-F294 PolarHBondContact O-N 2.99Å; F294-L297 HydrophobicContact CD1-CD1 4.03Å; F294-L297 PolarHBondContact O-N 2.89Å
295	L	85.6	Confident	84.2	Confident	30 Å²	30	52.7 Å²	52.7	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-53.1	171.5	-172.9	61.2	0	0	0	109.8	R291 L292 T293 L297 L298 M387 L390 I391 V394	R291-L295 PolarHBondContact O-N 3.38Å; L292-L295 WeakPolarHBondContact O-CB 3.48Å; L292-L295 PolarHBondContact O-N 2.85Å; T293-L295 VanDerWaalsContact C-N 3.27Å; T293-L295 PolarHBondContact O-N 2.96Å; L295-L297 PolarHBondContact O-N 3.03Å; L295-L297 VanDerWaalsContact O-N 3.15Å; L295-L298 HydrophobicContact CD1-CD1 4.24Å; L295-L298 VanDerWaalsContact O-CB 3.27Å; L295-L298 WeakPolarHBondContact O-CB 3.39Å; L295-L298 PolarHBondContact O-N 3.31Å; L295-M387 HydrophobicContact CD1-CE 4.2Å; L295-M387 HydrophobicContact CG-CE 3.86Å; L295-M387 WeakPolarHBondContact O-CE 3.39Å; L295-L390 HydrophobicContact CD1-CD2 3.87Å; L295-L390 HydrophobicContact CD1-CG 4.47Å; L295-L390 HydrophobicContact CD2-CG 4.29Å; L295-I391 HydrophobicContact CD2-CG1 3.83Å; L295-I391 HydrophobicContact CG-CG1 4.14Å; L295-V394 HydrophobicContact CD2-CB 4.16Å; L295-V394 HydrophobicContact CD2-CG1 4.48Å; L295-V394 HydrophobicContact CD2-CG2 3.99Å
296	S	84.4	Confident	83.7	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-30.7	179	75.1	0	0	0	0	114	L292 T293 L298 D299	L292-S296 PolarHBondContact O-N 3.45Å; T293-S296 PolarHBondContact O-N 3.42Å; T293-S296 VanDerWaalsContact O-N 3.17Å; T293-S296 PolarHBondContact O-OG 3.29Å; S296-L298 PolarHBondContact O-N 2.87Å; S296-D299 VanDerWaalsContact O-CB 3.26Å; S296-D299 WeakPolarHBondContact O-CB 3.31Å; S296-D299 PolarHBondContact O-N 2.82Å; S296-D299 VanDerWaalsContact O-N 3.1Å
297	L	83.8	Confident	83.1	Confident	64 Å²	64	51.1 Å²	51.1	34%	0.335	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-21.1	175.4	-77.5	168.7	0	0	0	113.4	Y282 T293 F294 L295 D299 L300 P301	Y282-L297 HydrophobicContact CE1-CD2 3.74Å; Y282-L297 HydrophobicContact CE1-CG 4.21Å; Y282-L297 HydrophobicContact CE2-CD2 4.49Å; T293-L297 PolarHBondContact O-N 3.34Å; F294-L297 HydrophobicContact CD1-CD1 4.03Å; F294-L297 PolarHBondContact O-N 2.89Å; L295-L297 PolarHBondContact O-N 3.03Å; L295-L297 VanDerWaalsContact O-N 3.15Å; L297-D299 PolarHBondContact O-N 3.42Å; L297-L300 HydrophobicContact CD2-CD1 3.96Å; L297-L300 PolarHBondContact O-N 3.37Å; L297-P301 WeakPolarHBondContact O-CD 3.31Å
298	L	81.6	Confident	82.4	Confident	102 Å²	102	48.4 Å²	48.4	53%	0.534	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.4	173.9	-64.8	174.6	0	0	0	113.1	L295 S296 L300 P301 M387	L295-L298 HydrophobicContact CD1-CD1 4.24Å; L295-L298 VanDerWaalsContact O-CB 3.27Å; L295-L298 WeakPolarHBondContact O-CB 3.39Å; L295-L298 PolarHBondContact O-N 3.31Å; S296-L298 PolarHBondContact O-N 2.87Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L298-P301 VanDerWaalsContact O-CD 3.29Å; L298-P301 WeakPolarHBondContact O-CD 3.32Å; L298-P301 WeakPolarHBondContact O-CG 3.36Å; L298-M387 HydrophobicContact CB-CE 4.41Å
299	D	80.3	Confident	82	Confident	33 Å²	33	50.8 Å²	50.8	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-33.4	175.4	-166.4	46.6	0	0	0	111.9	S296 L297 L302 T303 M387	S296-D299 VanDerWaalsContact O-CB 3.26Å; S296-D299 WeakPolarHBondContact O-CB 3.31Å; S296-D299 PolarHBondContact O-N 2.82Å; S296-D299 VanDerWaalsContact O-N 3.1Å; L297-D299 PolarHBondContact O-N 3.42Å; D299-L302 PolarHBondContact O-N 3.23Å; D299-T303 WeakPolarHBondContact O-CG2 3.46Å; D299-T303 PolarHBondContact O-N 3.17Å; D299-T303 PolarHBondContact O-OG1 3.32Å; D299-M387 HydrophobicContact CB-CE 4.41Å; D299-M387 HydrophobicContact CB-CG 4.08Å
300	L	78.3	Confident	81.8	Confident	38 Å²	38	52 Å²	52	20%	0.199	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-54.4	178.9	-67.9	-175.2	0	0	0	114.2	Y282 L297 L298 L302 T303 I304 V423	Y282-L300 WeakPolarHBondContact OH-CD1 3.27Å; L297-L300 HydrophobicContact CD2-CD1 3.96Å; L297-L300 PolarHBondContact O-N 3.37Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L300-L302 VanDerWaalsContact C-N 3.27Å; L300-L302 PolarHBondContact O-N 2.68Å; L300-T303 WeakPolarHBondContact CA-OG1 3.05Å; L300-T303 PolarHBondContact O-N 3.17Å; L300-T303 PolarHBondContact O-OG1 2.75Å; L300-I304 WeakPolarHBondContact O-CB 3.35Å; L300-I304 WeakPolarHBondContact O-CD1 3.17Å; L300-I304 WeakPolarHBondContact O-CG1 3.41Å; L300-I304 PolarHBondContact O-N 3.45Å; L300-V423 HydrophobicContact CD2-CB 4.03Å; L300-V423 HydrophobicContact CD2-CG1 3.47Å; L300-V423 VanDerWaalsContact CD2-CG1 3.47Å; L300-V423 HydrophobicContact CD2-CG2 4.22Å
301	P	78.4	Confident	81.4	Confident	42 Å²	42	51.7 Å²	51.7	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-30.7	179.1	25.6	-34.8	0	0	0	112.5	L297 L298 A305	L297-P301 WeakPolarHBondContact O-CD 3.31Å; L298-P301 VanDerWaalsContact O-CD 3.29Å; L298-P301 WeakPolarHBondContact O-CD 3.32Å; L298-P301 WeakPolarHBondContact O-CG 3.36Å; P301-A305 VanDerWaalsContact O-CB 3.24Å; P301-A305 WeakPolarHBondContact O-CB 3.39Å; P301-A305 PolarHBondContact O-N 3.43Å
302	L	80.4	Confident	81.2	Confident	89 Å²	89	48 Å²	48	47%	0.466	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-49.8	175.4	-106.4	88.8	0	0	0	111.5	D299 L300 A305 A306 M383	D299-L302 PolarHBondContact O-N 3.23Å; L300-L302 VanDerWaalsContact C-N 3.27Å; L300-L302 PolarHBondContact O-N 2.68Å; L302-A305 PolarHBondContact O-N 2.9Å; L302-A306 PolarHBondContact O-N 3.05Å; L302-M383 HydrophobicContact CD2-CG 4.48Å; L302-M383 HydrophobicContact CD2-SD 4.04Å
303	T	78	Confident	81.1	Confident	22 Å²	22	55 Å²	55	14%	0.135	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-44.9	179.5	48.5	0	0	0	0	111.4	D299 L300 A305 A306 E307	D299-T303 WeakPolarHBondContact O-CG2 3.46Å; D299-T303 PolarHBondContact O-N 3.17Å; D299-T303 PolarHBondContact O-OG1 3.32Å; L300-T303 WeakPolarHBondContact CA-OG1 3.05Å; L300-T303 PolarHBondContact O-N 3.17Å; L300-T303 PolarHBondContact O-OG1 2.75Å; T303-A305 VanDerWaalsContact C-N 3.33Å; T303-A305 PolarHBondContact O-N 3.25Å; T303-A306 PolarHBondContact O-N 3.37Å; T303-E307 WeakPolarHBondContact O-CB 3.34Å; T303-E307 PolarHBondContact O-N 3.24Å
304	I	77.4	Confident	80.8	Confident	48 Å²	48	56.8 Å²	56.8	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-40.4	176.2	-64	163.8	0	0	0	111.5	L119 L300 E307 K308	L119-I304 HydrophobicContact CD2-CB 4.13Å; L119-I304 HydrophobicContact CD2-CD1 3.79Å; L119-I304 HydrophobicContact CD2-CG2 3.71Å; L300-I304 WeakPolarHBondContact O-CB 3.35Å; L300-I304 WeakPolarHBondContact O-CD1 3.17Å; L300-I304 WeakPolarHBondContact O-CG1 3.41Å; L300-I304 PolarHBondContact O-N 3.45Å; I304-E307 PolarHBondContact O-N 3.3Å; I304-K308 WeakPolarHBondContact O-CB 3.21Å; I304-K308 PolarHBondContact O-N 3.35Å
305	A	78.1	Confident	80.5	Confident	33 Å²	33	55.8 Å²	55.8	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-45	177.7	0	0	0	0	0	112	V118 P301 L302 T303 E307 K308 V309	V118-A305 HydrophobicContact CG1-CB 3.87Å; P301-A305 VanDerWaalsContact O-CB 3.24Å; P301-A305 WeakPolarHBondContact O-CB 3.39Å; P301-A305 PolarHBondContact O-N 3.43Å; L302-A305 PolarHBondContact O-N 2.9Å; T303-A305 VanDerWaalsContact C-N 3.33Å; T303-A305 PolarHBondContact O-N 3.25Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 3.1Å; A305-K308 PolarHBondContact O-N 3.19Å; A305-V309 WeakPolarHBondContact O-CG2 3.36Å; A305-V309 PolarHBondContact O-N 2.85Å
306	A	80.6	Confident	80.4	Confident	23 Å²	23	56.8 Å²	56.8	19%	0.19	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-44	175.9	0	0	0	0	0	111.3	L302 T303 V309 Y310 Y376	L302-A306 PolarHBondContact O-N 3.05Å; T303-A306 PolarHBondContact O-N 3.37Å; A306-V309 PolarHBondContact O-N 2.84Å; A306-Y310 PolarHBondContact O-N 2.91Å; A306-Y376 HydrophobicContact CB-CE2 4.33Å
307	E	78.3	Confident	80.6	Confident	21 Å²	21	56.7 Å²	56.7	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-41.1	179.8	-167.3	177.7	170.4	0	0	112.2	T303 I304 A305 V309 Y310 N311 Y428	T303-E307 WeakPolarHBondContact O-CB 3.34Å; T303-E307 PolarHBondContact O-N 3.24Å; I304-E307 PolarHBondContact O-N 3.3Å; A305-E307 VanDerWaalsContact C-N 3.32Å; A305-E307 PolarHBondContact O-N 3.1Å; E307-V309 VanDerWaalsContact C-N 3.25Å; E307-V309 PolarHBondContact O-N 3.44Å; E307-Y310 PolarHBondContact O-N 3.43Å; E307-Y310 VanDerWaalsContact O-N 3.15Å; E307-N311 VanDerWaalsContact O-CB 3.26Å; E307-N311 WeakPolarHBondContact O-CB 3.21Å; E307-N311 PolarHBondContact O-N 3.43Å; E307-Y428 WeakPolarHBondContact OE1-CD1 3.48Å; E307-Y428 WeakPolarHBondContact OE1-CE1 3.28Å; E307-Y428 VanDerWaalsContact OE1-CZ 3.29Å
308	K	75.1	Confident	80.6	Confident	63 Å²	63	55.8 Å²	55.8	27%	0.274	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-29.5	177.4	-172.8	172.1	-176.3	175.7	0	113.4	A117 V118 S120 I304 A305 P312	A117-K308 PolarHBondContact O-NZ 2.81Å; V118-K308 VanDerWaalsContact C-NZ 3.33Å; V118-K308 WeakPolarHBondContact O-CD 3.36Å; V118-K308 WeakPolarHBondContact O-CE 3.35Å; V118-K308 PolarHBondContact O-NZ 3.18Å; S120-K308 PolarHBondContact O-NZ 2.83Å; I304-K308 WeakPolarHBondContact O-CB 3.21Å; I304-K308 PolarHBondContact O-N 3.35Å; A305-K308 PolarHBondContact O-N 3.19Å; K308-P312 WeakPolarHBondContact O-CD 3.33Å; K308-P312 WeakPolarHBondContact O-CG 3.22Å
309	V	80.7	Confident	80.7	Confident	89 Å²	89	57.7 Å²	57.7	54%	0.539	30%	0.304	S	S	.	.	H	α-helix	trans	-77.9	-34.5	176.1	175.9	0	0	0	0	111.5	A305 A306 E307 R313	A305-V309 WeakPolarHBondContact O-CG2 3.36Å; A305-V309 PolarHBondContact O-N 2.85Å; A306-V309 PolarHBondContact O-N 2.84Å; E307-V309 VanDerWaalsContact C-N 3.25Å; E307-V309 PolarHBondContact O-N 3.44Å; V309-R313 VanDerWaalsContact CG1-NH1 3.26Å; V309-R313 PolarHBondContact O-NH1 2.95Å; V309-R313 VanDerWaalsContact O-NH1 3.08Å
310	Y	82.8	Confident	81.3	Confident	32 Å²	32	59.8 Å²	59.8	13%	0.125	31%	0.313	C	S	.	.	H	α-helix	trans	-80.7	-49.2	-178.3	175.2	-107.7	0	0	0	113	A306 E307 R313 H314 K373 Y376	A306-Y310 PolarHBondContact O-N 2.91Å; E307-Y310 PolarHBondContact O-N 3.43Å; E307-Y310 VanDerWaalsContact O-N 3.15Å; Y310-R313 PolarHBondContact O-N 3.16Å; Y310-R313 VanDerWaalsContact O-N 3.14Å; Y310-H314 HydrophobicContact CD1-CB 4.3Å; Y310-H314 HydrophobicContact CE1-CB 3.86Å; Y310-H314 AromaticContact CE1-CG 3.88Å; Y310-H314 HydrophobicContact CE2-CB 4.33Å; Y310-H314 AromaticContact CZ-CG 3.84Å; Y310-H314 AromaticContact CZ-ND1 3.84Å; Y310-H314 PolarHBondContact O-N 3.43Å; Y310-H314 PolarHBondContact OH-ND1 2.94Å; Y310-K373 WeakPolarHBondContact OH-CB 3.5Å; Y310-Y376 HydrophobicContact CD1-CD1 4.09Å; Y310-Y376 HydrophobicContact CD1-CD2 4.17Å; Y310-Y376 HydrophobicContact CD1-CE1 4.22Å; Y310-Y376 HydrophobicContact CD1-CE2 4.28Å; Y310-Y376 HydrophobicContact CD1-CG 4.07Å; Y310-Y376 HydrophobicContact CD2-CD2 4.08Å; Y310-Y376 AromaticContact CD2-CG 3.84Å; Y310-Y376 HydrophobicContact CD2-CG 3.84Å; Y310-Y376 HydrophobicContact CE1-CD1 4.14Å; Y310-Y376 HydrophobicContact CE1-CE1 4.43Å; Y310-Y376 HydrophobicContact CE1-CG 4.4Å; Y310-Y376 HydrophobicContact CE2-CG 4.19Å; Y310-Y376 HydrophobicContact CG-CD1 4.28Å; Y310-Y376 AromaticContact CG-CD2 3.7Å; Y310-Y376 HydrophobicContact CG-CD2 3.7Å; Y310-Y376 HydrophobicContact CG-CE2 4.12Å; Y310-Y376 AromaticContact CG-CG 3.78Å; Y310-Y376 HydrophobicContact CG-CG 3.78Å
311	N	80.6	Confident	81.9	Confident	66 Å²	66	58.6 Å²	58.6	35%	0.353	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-44.8	-167.6	-167.8	25.9	0	0	0	114	E307 R313 H314 Q315	E307-N311 VanDerWaalsContact O-CB 3.26Å; E307-N311 WeakPolarHBondContact O-CB 3.21Å; E307-N311 PolarHBondContact O-N 3.43Å; N311-R313 VanDerWaalsContact C-N 3.33Å; N311-R313 PolarHBondContact O-N 3.23Å; N311-H314 WeakPolarHBondContact O-CB 3.47Å; N311-H314 PolarHBondContact O-N 3.08Å; N311-Q315 WeakPolarHBondContact O-CB 3.49Å; N311-Q315 VanDerWaalsContact O-CG 3.26Å; N311-Q315 WeakPolarHBondContact O-CG 3.37Å; N311-Q315 PolarHBondContact O-N 2.9Å
312	P	80.3	Confident	82.1	Confident	77 Å²	77	62.9 Å²	62.9	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-37.5	178.9	-21.8	33.7	0	0	0	113.3	K308 A316	K308-P312 WeakPolarHBondContact O-CD 3.33Å; K308-P312 WeakPolarHBondContact O-CG 3.22Å; P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 3.49Å; P312-A316 VanDerWaalsContact O-N 3.09Å
313	R	83.3	Confident	82.6	Confident	148 Å²	148	63 Å²	63	56%	0.558	32%	0.324	S	S	*	.	H	α-helix	trans	-68.4	-44.4	176.2	-67.7	-172.5	175.2	102.6	-7.7	110.6	V309 Y310 N311 Q315 A316 V317	V309-R313 VanDerWaalsContact CG1-NH1 3.26Å; V309-R313 PolarHBondContact O-NH1 2.95Å; V309-R313 VanDerWaalsContact O-NH1 3.08Å; Y310-R313 PolarHBondContact O-N 3.16Å; Y310-R313 VanDerWaalsContact O-N 3.14Å; N311-R313 VanDerWaalsContact C-N 3.33Å; N311-R313 PolarHBondContact O-N 3.23Å; R313-Q315 VanDerWaalsContact C-N 3.35Å; R313-Q315 PolarHBondContact O-N 3.39Å; R313-A316 PolarHBondContact O-N 2.86Å; R313-V317 WeakPolarHBondContact O-CG2 3.49Å; R313-V317 PolarHBondContact O-N 3.49Å
314	H	82.8	Confident	83.3	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-47	176.7	-175.4	57.7	0	0	0	112	Y310 N311 V317 L318	Y310-H314 HydrophobicContact CD1-CB 4.3Å; Y310-H314 HydrophobicContact CE1-CB 3.86Å; Y310-H314 AromaticContact CE1-CG 3.88Å; Y310-H314 HydrophobicContact CE2-CB 4.33Å; Y310-H314 AromaticContact CZ-CG 3.84Å; Y310-H314 AromaticContact CZ-ND1 3.84Å; Y310-H314 PolarHBondContact O-N 3.43Å; Y310-H314 PolarHBondContact OH-ND1 2.94Å; N311-H314 WeakPolarHBondContact O-CB 3.47Å; N311-H314 PolarHBondContact O-N 3.08Å; H314-V317 PolarHBondContact O-N 3.24Å; H314-L318 VanDerWaalsContact CD2-CD1 3.48Å; H314-L318 WeakPolarHBondContact CD2-CD1 3.25Å; H314-L318 VanDerWaalsContact NE2-CD1 3.28Å; H314-L318 WeakPolarHBondContact NE2-CD1 3.5Å; H314-L318 WeakPolarHBondContact O-CB 2.93Å; H314-L318 WeakPolarHBondContact O-CG 3.4Å; H314-L318 PolarHBondContact O-N 2.94Å
315	Q	79.8	Confident	84	Confident	107 Å²	107	63.3 Å²	63.3	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.7	-70.2	-70.2	-13.7	0	0	112.6	N311 R313 L318 K319	N311-Q315 WeakPolarHBondContact O-CB 3.49Å; N311-Q315 VanDerWaalsContact O-CG 3.26Å; N311-Q315 WeakPolarHBondContact O-CG 3.37Å; N311-Q315 PolarHBondContact O-N 2.9Å; R313-Q315 VanDerWaalsContact C-N 3.35Å; R313-Q315 PolarHBondContact O-N 3.39Å; Q315-L318 PolarHBondContact O-N 3.32Å; Q315-K319 PolarHBondContact O-N 2.83Å
316	A	84.6	Confident	84.4	Confident	51 Å²	51	64.3 Å²	64.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-46.8	176.4	0	0	0	0	0	111.9	P312 R313 K319 E320	P312-A316 WeakPolarHBondContact O-CB 3.44Å; P312-A316 PolarHBondContact O-N 3.49Å; P312-A316 VanDerWaalsContact O-N 3.09Å; R313-A316 PolarHBondContact O-N 2.86Å; A316-K319 PolarHBondContact O-N 3.01Å; A316-E320 PolarHBondContact O-N 2.9Å; A316-E320 VanDerWaalsContact O-N 3.14Å
317	V	87.5	Confident	84.9	Confident	4 Å²	4	70 Å²	70	2%	0.024	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-38.3	177.7	177.9	0	0	0	0	111.3	R313 H314 K319 E320 I321 R369	R313-V317 WeakPolarHBondContact O-CG2 3.49Å; R313-V317 PolarHBondContact O-N 3.49Å; H314-V317 PolarHBondContact O-N 3.24Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.11Å; V317-E320 PolarHBondContact O-N 2.67Å; V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 HydrophobicContact CG1-CG1 4.36Å; V317-I321 VanDerWaalsContact O-CG1 3.25Å; V317-I321 WeakPolarHBondContact O-CG1 3.26Å; V317-I321 PolarHBondContact O-N 2.9Å; V317-R369 HydrophobicContact CG1-CB 3.88Å
318	L	84.3	Confident	85.7	Confident	46 Å²	46	69.2 Å²	69.2	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-42.9	174.2	-90.7	161.3	0	0	0	112.2	H314 Q315 I321 Q322	H314-L318 VanDerWaalsContact CD2-CD1 3.48Å; H314-L318 WeakPolarHBondContact CD2-CD1 3.25Å; H314-L318 VanDerWaalsContact NE2-CD1 3.28Å; H314-L318 WeakPolarHBondContact NE2-CD1 3.5Å; H314-L318 WeakPolarHBondContact O-CB 2.93Å; H314-L318 WeakPolarHBondContact O-CG 3.4Å; H314-L318 PolarHBondContact O-N 2.94Å; Q315-L318 PolarHBondContact O-N 3.32Å; L318-I321 WeakPolarHBondContact O-CB 3.18Å; L318-I321 PolarHBondContact O-N 3.12Å; L318-Q322 WeakPolarHBondContact O-CG 3.15Å; L318-Q322 PolarHBondContact O-N 3.25Å
319	K	84.4	Confident	86.5	Confident	141 Å²	141	67.7 Å²	67.7	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-63.5	-45.7	176.4	-172.8	175.2	179.4	177.8	0	111.7	Q315 A316 V317 I321 Q322 D323	Q315-K319 PolarHBondContact O-N 2.83Å; A316-K319 PolarHBondContact O-N 3.01Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.11Å; K319-I321 VanDerWaalsContact C-N 3.27Å; K319-I321 PolarHBondContact O-N 3.19Å; K319-Q322 PolarHBondContact O-N 2.93Å; K319-Q322 VanDerWaalsContact O-N 3.17Å; K319-D323 PolarHBondContact O-N 3.45Å
320	E	91.3	Very high	87	Confident	78 Å²	78	68 Å²	68	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-37.7	175	-69.7	-179.3	-153.4	0	0	112.4	A316 V317 D323 A324 L365	A316-E320 PolarHBondContact O-N 2.9Å; A316-E320 VanDerWaalsContact O-N 3.14Å; V317-E320 PolarHBondContact O-N 2.67Å; E320-D323 PolarHBondContact O-N 3.01Å; E320-A324 WeakPolarHBondContact O-CB 3.27Å; E320-A324 PolarHBondContact O-N 3.42Å; E320-L365 HydrophobicContact CB-CD1 4.05Å; E320-L365 HydrophobicContact CB-CD2 4.15Å; E320-L365 VanDerWaalsContact OE2-CD2 3.3Å; E320-L365 WeakPolarHBondContact OE2-CD2 3.32Å
321	I	91.1	Very high	87.5	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-46.1	174.9	-71.6	166.7	0	0	0	110.7	V317 L318 K319 D323 A324 V325 L365 W366 R369	V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 HydrophobicContact CG1-CG1 4.36Å; V317-I321 VanDerWaalsContact O-CG1 3.25Å; V317-I321 WeakPolarHBondContact O-CG1 3.26Å; V317-I321 PolarHBondContact O-N 2.9Å; L318-I321 WeakPolarHBondContact O-CB 3.18Å; L318-I321 PolarHBondContact O-N 3.12Å; K319-I321 VanDerWaalsContact C-N 3.27Å; K319-I321 PolarHBondContact O-N 3.19Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 3.39Å; I321-A324 PolarHBondContact O-N 3.01Å; I321-V325 HydrophobicContact CG2-CG2 4.19Å; I321-V325 WeakPolarHBondContact O-CB 3.41Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 2.93Å; I321-L365 HydrophobicContact CD1-CB 4.42Å; I321-L365 HydrophobicContact CG1-CB 3.63Å; I321-L365 HydrophobicContact CG1-CD1 4.4Å; I321-W366 VanDerWaalsContact CG2-NE1 3.28Å; I321-R369 HydrophobicContact CD1-CB 4.09Å; I321-R369 HydrophobicContact CD1-CG 4.4Å
322	Q	83.4	Confident	88.2	Confident	131 Å²	131	66.8 Å²	66.8	61%	0.612	35%	0.351	S	S	*	.	H	α-helix	trans	-59.1	-44.7	178.2	-73.3	177	1.3	0	0	111.3	L318 K319 A324 V325 A326	L318-Q322 WeakPolarHBondContact O-CG 3.15Å; L318-Q322 PolarHBondContact O-N 3.25Å; K319-Q322 PolarHBondContact O-N 2.93Å; K319-Q322 VanDerWaalsContact O-N 3.17Å; Q322-A324 PolarHBondContact O-N 2.89Å; Q322-V325 PolarHBondContact O-N 3.15Å; Q322-A326 WeakPolarHBondContact O-CB 3.48Å; Q322-A326 PolarHBondContact O-N 3.23Å
323	D	90.1	Very high	88.7	Confident	91 Å²	91	71.5 Å²	71.5	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-41.2	177.3	-69.1	-23.5	0	0	0	112.1	K319 E320 I321 A326 K327	K319-D323 PolarHBondContact O-N 3.45Å; E320-D323 PolarHBondContact O-N 3.01Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 3.39Å; D323-A326 PolarHBondContact O-N 3.39Å; D323-K327 WeakPolarHBondContact O-CG 3.22Å; D323-K327 PolarHBondContact O-N 2.78Å; D323-K327 VanDerWaalsContact O-N 3.13Å
324	A	92.9	Very high	89.1	Confident	9 Å²	9	68.4 Å²	68.4	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-42.5	177.4	0	0	0	0	0	112.3	E320 I321 Q322 K327 A328 R361 L365	E320-A324 WeakPolarHBondContact O-CB 3.27Å; E320-A324 PolarHBondContact O-N 3.42Å; I321-A324 PolarHBondContact O-N 3.01Å; Q322-A324 PolarHBondContact O-N 2.89Å; A324-K327 PolarHBondContact O-N 2.95Å; A324-A328 PolarHBondContact O-N 2.93Å; A324-R361 HydrophobicContact CB-CG 4.36Å; A324-L365 HydrophobicContact CB-CD1 3.82Å
325	V	92.1	Very high	89.5	Confident	68 Å²	68	67.5 Å²	67.5	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.2	170.4	0	0	0	0	111	I321 Q322 K327 A328 G329	I321-V325 HydrophobicContact CG2-CG2 4.19Å; I321-V325 WeakPolarHBondContact O-CB 3.41Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 2.93Å; Q322-V325 PolarHBondContact O-N 3.15Å; V325-K327 VanDerWaalsContact C-N 3.32Å; V325-K327 PolarHBondContact O-N 2.93Å; V325-A328 PolarHBondContact O-N 2.92Å; V325-G329 PolarHBondContact O-N 2.98Å
326	A	87	Confident	90	Very high	55 Å²	55	66.9 Å²	66.9	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-40.5	176.2	0	0	0	0	0	112.1	Q322 D323 G329 Q330	Q322-A326 WeakPolarHBondContact O-CB 3.48Å; Q322-A326 PolarHBondContact O-N 3.23Å; D323-A326 PolarHBondContact O-N 3.39Å; A326-G329 PolarHBondContact O-N 3.25Å; A326-Q330 PolarHBondContact O-N 3.19Å
327	K	91.3	Very high	90.2	Very high	141 Å²	141	67.9 Å²	67.9	61%	0.613	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-45.6	174	-72.8	175.8	-177.3	179.8	0	112.3	D323 A324 V325 G329 Q330 V331	D323-K327 WeakPolarHBondContact O-CG 3.22Å; D323-K327 PolarHBondContact O-N 2.78Å; D323-K327 VanDerWaalsContact O-N 3.13Å; A324-K327 PolarHBondContact O-N 2.95Å; V325-K327 VanDerWaalsContact C-N 3.32Å; V325-K327 PolarHBondContact O-N 2.93Å; K327-G329 VanDerWaalsContact C-N 3.32Å; K327-G329 PolarHBondContact O-N 3.26Å; K327-Q330 WeakPolarHBondContact O-CB 3.43Å; K327-Q330 PolarHBondContact O-N 2.94Å; K327-Q330 VanDerWaalsContact O-N 3.16Å; K327-V331 PolarHBondContact O-N 2.98Å
328	A	93.7	Very high	90.4	Very high	6 Å²	6	68.7 Å²	68.7	5%	0.05	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-42.2	175.9	0	0	0	0	0	111.7	A324 V325 Q330 V331 V332 Y355 A358	A324-A328 PolarHBondContact O-N 2.93Å; V325-A328 PolarHBondContact O-N 2.92Å; A328-Q330 VanDerWaalsContact C-N 3.31Å; A328-Q330 PolarHBondContact O-N 3.4Å; A328-V331 PolarHBondContact O-N 3.38Å; A328-V332 PolarHBondContact O-N 3.48Å; A328-Y355 HydrophobicContact CB-CE2 4.19Å; A328-A358 HydrophobicContact CB-CB 3.95Å
329	G	92.4	Very high	90.8	Very high	30 Å²	30	70.7 Å²	70.7	31%	0.309	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-28.3	174.9	0	0	0	0	0	113.8	V325 A326 K327 R333	V325-G329 PolarHBondContact O-N 2.98Å; A326-G329 PolarHBondContact O-N 3.25Å; K327-G329 VanDerWaalsContact C-N 3.32Å; K327-G329 PolarHBondContact O-N 3.26Å; G329-R333 WeakPolarHBondContact O-CG 3.28Å; G329-R333 PolarHBondContact O-N 3.26Å; G329-R333 VanDerWaalsContact O-N 3.08Å; G329-R333 PolarHBondContact O-NE 2.97Å
330	Q	91.3	Very high	91.2	Very high	97 Å²	97	72.1 Å²	72.1	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-45.2	171.7	-177.9	179.1	-11.9	0	0	111.5	A326 K327 A328 V332 R333 E334	A326-Q330 PolarHBondContact O-N 3.19Å; K327-Q330 WeakPolarHBondContact O-CB 3.43Å; K327-Q330 PolarHBondContact O-N 2.94Å; K327-Q330 VanDerWaalsContact O-N 3.16Å; A328-Q330 VanDerWaalsContact C-N 3.31Å; A328-Q330 PolarHBondContact O-N 3.4Å; Q330-V332 VanDerWaalsContact C-N 3.33Å; Q330-V332 PolarHBondContact O-N 3.47Å; Q330-R333 PolarHBondContact O-N 3.47Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.37Å; Q330-E334 PolarHBondContact NE2-OE1 3.07Å; Q330-E334 WeakPolarHBondContact O-CG 3.42Å; Q330-E334 PolarHBondContact O-N 2.94Å
331	V	93.8	Very high	91.4	Very high	13 Å²	13	72.3 Å²	72.3	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-55.2	-50.4	176.2	178.7	0	0	0	0	110	K327 A328 R333 E334 S335 R354	K327-V331 PolarHBondContact O-N 2.98Å; A328-V331 PolarHBondContact O-N 3.38Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 3.35Å; V331-E334 PolarHBondContact O-N 3.18Å; V331-E334 VanDerWaalsContact O-N 3.17Å; V331-S335 PolarHBondContact O-N 3.41Å; V331-S335 PolarHBondContact O-OG 3.32Å; V331-R354 HydrophobicContact CG1-CB 4.41Å; V331-R354 HydrophobicContact CG1-CG 4Å; V331-R354 HydrophobicContact CG2-CG 4.27Å
332	V	94.6	Very high	91.6	Very high	58 Å²	58	72.5 Å²	72.5	35%	0.352	40%	0.404	S	S	.	.	H	α-helix	trans	-58.7	-44	178.7	177.3	0	0	0	0	112.2	A328 Q330 E334 S335 V336 Y355	A328-V332 PolarHBondContact O-N 3.48Å; Q330-V332 VanDerWaalsContact C-N 3.33Å; Q330-V332 PolarHBondContact O-N 3.47Å; V332-E334 VanDerWaalsContact C-N 3.32Å; V332-E334 PolarHBondContact O-N 3.45Å; V332-S335 PolarHBondContact O-N 3.36Å; V332-V336 HydrophobicContact CG1-CG2 3.98Å; V332-V336 VanDerWaalsContact O-CB 3.28Å; V332-V336 WeakPolarHBondContact O-CB 3.23Å; V332-V336 VanDerWaalsContact O-CG2 3.3Å; V332-V336 WeakPolarHBondContact O-CG2 3.08Å; V332-V336 PolarHBondContact O-N 3.16Å; V332-Y355 HydrophobicContact CG2-CD2 3.68Å; V332-Y355 HydrophobicContact CG2-CE2 3.39Å
333	R	90.8	Very high	92.2	Very high	176 Å²	176	74.4 Å²	74.4	66%	0.664	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-39.6	178.8	-77.3	-178	-67.3	-161.9	1.1	112.2	G329 Q330 V331 G337	G329-R333 WeakPolarHBondContact O-CG 3.28Å; G329-R333 PolarHBondContact O-N 3.26Å; G329-R333 VanDerWaalsContact O-N 3.08Å; G329-R333 PolarHBondContact O-NE 2.97Å; Q330-R333 PolarHBondContact O-N 3.47Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 3.35Å; R333-G337 WeakPolarHBondContact O-CA 3.36Å; R333-G337 PolarHBondContact O-N 2.93Å
334	E	91.2	Very high	92.5	Very high	83 Å²	83	74.2 Å²	74.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-49.5	176.2	-71.5	171.9	-166.8	0	0	111.4	Q330 V331 V332 G338 R354	Q330-E334 WeakPolarHBondContact CG-OE1 3.37Å; Q330-E334 PolarHBondContact NE2-OE1 3.07Å; Q330-E334 WeakPolarHBondContact O-CG 3.42Å; Q330-E334 PolarHBondContact O-N 2.94Å; V331-E334 PolarHBondContact O-N 3.18Å; V331-E334 VanDerWaalsContact O-N 3.17Å; V332-E334 VanDerWaalsContact C-N 3.32Å; V332-E334 PolarHBondContact O-N 3.45Å; E334-G338 PolarHBondContact O-N 3.4Å; E334-R354 IonicContact OE2-CZ 3.19Å; E334-R354 IonicContact OE2-NH1 3.05Å; E334-R354 PolarHBondContact OE2-NH1 2.94Å; E334-R354 IonicContact OE2-NH2 2.71Å; E334-R354 PolarHBondContact OE2-NH2 2.95Å
335	S	91.3	Very high	92.6	Very high	19 Å²	19	81.8 Å²	81.8	13%	0.133	44%	0.443	C	S	.	.	H	α-helix	trans	-67.4	-40.4	-177.2	-35.3	0	0	0	0	112.4	V331 V332 G338 L339 E351	V331-S335 PolarHBondContact O-N 3.41Å; V331-S335 PolarHBondContact O-OG 3.32Å; V332-S335 PolarHBondContact O-N 3.36Å; S335-G338 CarbonylContact O-C 3.53Å; S335-L339 WeakPolarHBondContact O-CA 3.38Å; S335-L339 PolarHBondContact O-N 2.94Å; S335-L339 VanDerWaalsContact O-N 3.09Å; S335-E351 PolarHBondContact OG-OE2 3.42Å
336	V	91.4	Very high	92.8	Very high	94 Å²	94	81.1 Å²	81.1	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-76.5	-40.5	178.5	176.8	0	0	0	0	111.1	V332 G338 L339	V332-V336 HydrophobicContact CG1-CG2 3.98Å; V332-V336 VanDerWaalsContact O-CB 3.28Å; V332-V336 WeakPolarHBondContact O-CB 3.23Å; V332-V336 VanDerWaalsContact O-CG2 3.3Å; V332-V336 WeakPolarHBondContact O-CG2 3.08Å; V332-V336 PolarHBondContact O-N 3.16Å; V336-G338 PolarHBondContact O-N 3.38Å; V336-L339 VanDerWaalsContact O-CB 3.28Å; V336-L339 WeakPolarHBondContact O-CB 3.31Å; V336-L339 PolarHBondContact O-N 2.91Å
337	G	87.9	Confident	93.2	Very high	72 Å²	72	79.6 Å²	79.6	74%	0.742	44%	0.437	S	S	*	.	H	α-helix	trans	-62.9	-33.8	174.8	0	0	0	0	0	112.4	R333	R333-G337 WeakPolarHBondContact O-CA 3.36Å; R333-G337 PolarHBondContact O-N 2.93Å
338	G	91.6	Very high	93.4	Very high	22 Å²	22	76.4 Å²	76.4	23%	0.227	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	23.5	173.8	0	0	0	0	0	114.1	E334 S335 V336 Q340 T341 V342	E334-G338 PolarHBondContact O-N 3.4Å; S335-G338 CarbonylContact O-C 3.53Å; V336-G338 PolarHBondContact O-N 3.38Å; G338-Q340 PolarHBondContact O-N 2.96Å; G338-Q340 VanDerWaalsContact O-N 3.14Å; G338-T341 CarbonylContact O-C 3.56Å; G338-T341 WeakPolarHBondContact O-CA 3.35Å; G338-T341 VanDerWaalsContact O-CB 3.27Å; G338-T341 WeakPolarHBondContact O-CB 3.43Å; G338-T341 PolarHBondContact O-N 2.89Å; G338-V342 PolarHBondContact O-N 3.39Å
339	L	93.2	Very high	93.6	Very high	87 Å²	87	82.7 Å²	82.7	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-57.4	-35.8	-170.9	-177.1	63.5	0	0	0	112.9	S335 V336 T341 V342 R343	S335-L339 WeakPolarHBondContact O-CA 3.38Å; S335-L339 PolarHBondContact O-N 2.94Å; S335-L339 VanDerWaalsContact O-N 3.09Å; V336-L339 VanDerWaalsContact O-CB 3.28Å; V336-L339 WeakPolarHBondContact O-CB 3.31Å; V336-L339 PolarHBondContact O-N 2.91Å; L339-T341 VanDerWaalsContact C-N 3.32Å; L339-T341 PolarHBondContact O-N 2.94Å; L339-V342 PolarHBondContact O-N 2.91Å; L339-R343 HydrophobicContact CD1-CG 4.32Å; L339-R343 HydrophobicContact CG-CG 4.38Å; L339-R343 VanDerWaalsContact O-CB 3.32Å; L339-R343 WeakPolarHBondContact O-CB 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.32Å; L339-R343 PolarHBondContact O-N 3.45Å
340	Q	92.4	Very high	93.7	Very high	172 Å²	172	87.7 Å²	87.7	80%	0.804	47%	0.468	S	S	*	.	H	α-helix	trans	-61.9	-41.2	174.5	-173.9	177.6	7	0	0	111.5	G338 S344	G338-Q340 PolarHBondContact O-N 2.96Å; G338-Q340 VanDerWaalsContact O-N 3.14Å; Q340-S344 VanDerWaalsContact O-CB 3.27Å; Q340-S344 WeakPolarHBondContact O-CB 3.34Å; Q340-S344 PolarHBondContact O-N 3.47Å; Q340-S344 PolarHBondContact O-OG 3.3Å
341	T	95.6	Very high	93.9	Very high	81 Å²	81	84.9 Å²	84.9	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-66.5	-47.1	174.8	-51.4	0	0	0	0	110.9	G338 L339 R343 S344 F345	G338-T341 CarbonylContact O-C 3.56Å; G338-T341 WeakPolarHBondContact O-CA 3.35Å; G338-T341 VanDerWaalsContact O-CB 3.27Å; G338-T341 WeakPolarHBondContact O-CB 3.43Å; G338-T341 PolarHBondContact O-N 2.89Å; L339-T341 VanDerWaalsContact C-N 3.32Å; L339-T341 PolarHBondContact O-N 2.94Å; T341-R343 VanDerWaalsContact C-N 3.26Å; T341-R343 PolarHBondContact O-N 2.81Å; T341-S344 WeakPolarHBondContact CA-OG 3.37Å; T341-S344 PolarHBondContact O-N 3.14Å; T341-S344 PolarHBondContact O-OG 3.09Å; T341-F345 HydrophobicContact CG2-CD2 3.65Å; T341-F345 HydrophobicContact CG2-CE2 3.83Å; T341-F345 VanDerWaalsContact O-CD2 3.27Å; T341-F345 WeakPolarHBondContact O-CD2 3.26Å; T341-F345 PolarHBondContact O-N 2.91Å
342	V	96.4	Very high	94	Very high	17 Å²	17	88.9 Å²	88.9	10%	0.103	48%	0.479	C	S	.	.	H	α-helix	trans	-56.7	-44.8	177.5	177.5	0	0	0	0	110.5	G338 L339 G346 A347 E348 E351	G338-V342 PolarHBondContact O-N 3.39Å; L339-V342 PolarHBondContact O-N 2.91Å; V342-G346 PolarHBondContact O-N 3.29Å; V342-A347 HydrophobicContact CG1-CB 4.37Å; V342-A347 PolarHBondContact O-N 2.86Å; V342-E348 HydrophobicContact CG1-CG 4.11Å; V342-E351 HydrophobicContact CG1-CG 4.23Å; V342-E351 HydrophobicContact CG2-CG 4.12Å
343	R	95.3	Very high	94.1	Very high	172 Å²	172	93.6 Å²	93.6	65%	0.649	49%	0.49	S	S	*	.	H	α-helix	trans	-67	-42.5	176.5	-74	-87.6	-177.5	166.8	0.5	112.8	L339 T341 F345 G346 E348	L339-R343 HydrophobicContact CD1-CG 4.32Å; L339-R343 HydrophobicContact CG-CG 4.38Å; L339-R343 VanDerWaalsContact O-CB 3.32Å; L339-R343 WeakPolarHBondContact O-CB 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.32Å; L339-R343 PolarHBondContact O-N 3.45Å; T341-R343 VanDerWaalsContact C-N 3.26Å; T341-R343 PolarHBondContact O-N 2.81Å; R343-F345 PolarHBondContact O-N 3.17Å; R343-G346 PolarHBondContact O-N 2.86Å; R343-E348 WeakPolarHBondContact CD-OE1 3.2Å; R343-E348 IonicContact NE-OE1 3.92Å
344	S	96.3	Very high	94.3	Very high	86 Å²	86	89.9 Å²	89.9	60%	0.601	48%	0.476	S	S	*	.	H	α-helix	trans	-68	-27.5	-178.4	69.1	0	0	0	0	112.5	Q340 T341	Q340-S344 VanDerWaalsContact O-CB 3.27Å; Q340-S344 WeakPolarHBondContact O-CB 3.34Å; Q340-S344 PolarHBondContact O-N 3.47Å; Q340-S344 PolarHBondContact O-OG 3.3Å; T341-S344 WeakPolarHBondContact CA-OG 3.37Å; T341-S344 PolarHBondContact O-N 3.14Å; T341-S344 PolarHBondContact O-OG 3.09Å
345	F	96.3	Very high	94.6	Very high	169 Å²	169	90.4 Å²	90.4	74%	0.741	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.2	177.8	-73.1	-84.4	0	0	0	113.8	T341 R343 A347	T341-F345 HydrophobicContact CG2-CD2 3.65Å; T341-F345 HydrophobicContact CG2-CE2 3.83Å; T341-F345 VanDerWaalsContact O-CD2 3.27Å; T341-F345 WeakPolarHBondContact O-CD2 3.26Å; T341-F345 PolarHBondContact O-N 2.91Å; R343-F345 PolarHBondContact O-N 3.17Å; F345-A347 VanDerWaalsContact C-N 3.29Å; F345-A347 PolarHBondContact O-N 2.9Å
346	G	95.5	Very high	94.8	Very high	54 Å²	54	96.7 Å²	96.7	56%	0.557	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	33.1	-179.3	0	0	0	0	0	114.2	V342 R343 E348	V342-G346 PolarHBondContact O-N 3.29Å; R343-G346 PolarHBondContact O-N 2.86Å; G346-E348 VanDerWaalsContact CA-OE2 3.29Å; G346-E348 WeakPolarHBondContact CA-OE2 3.18Å
347	A	95.6	Very high	95	Very high	22 Å²	22	99.1 Å²	99.1	18%	0.182	51%	0.505	C	S	.	.			trans	-93.2	15.8	-170.6	0	0	0	0	0	114	V342 F345 E349 Q350 E351	V342-A347 HydrophobicContact CG1-CB 4.37Å; V342-A347 PolarHBondContact O-N 2.86Å; F345-A347 VanDerWaalsContact C-N 3.29Å; F345-A347 PolarHBondContact O-N 2.9Å; A347-E349 PolarHBondContact O-N 2.79Å; A347-Q350 PolarHBondContact O-N 3.22Å; A347-Q350 VanDerWaalsContact O-N 3.14Å; A347-E351 PolarHBondContact O-N 2.97Å; A347-E351 VanDerWaalsContact O-N 3.17Å
348	E	96.1	Very high	95.2	Very high	74 Å²	74	96.7 Å²	96.7	35%	0.346	48%	0.479	S	S	.	.	H	α-helix	trans	-58.2	-44.1	-173	-65.2	89.1	160.6	0	0	112.8	V342 R343 G346 Q350 E351 V352	V342-E348 HydrophobicContact CG1-CG 4.11Å; R343-E348 WeakPolarHBondContact CD-OE1 3.2Å; R343-E348 IonicContact NE-OE1 3.92Å; G346-E348 VanDerWaalsContact CA-OE2 3.29Å; G346-E348 WeakPolarHBondContact CA-OE2 3.18Å; E348-Q350 VanDerWaalsContact C-N 3.31Å; E348-Q350 PolarHBondContact O-N 3.21Å; E348-E351 PolarHBondContact O-N 2.79Å; E348-V352 VanDerWaalsContact O-CG2 3.29Å; E348-V352 WeakPolarHBondContact O-CG2 3.47Å; E348-V352 PolarHBondContact O-N 3.47Å
349	E	96.7	Very high	95.5	Very high	138 Å²	138	99.1 Å²	99.1	65%	0.645	49%	0.486	S	S	*	.	H	α-helix	trans	-64.4	-35.5	179	-73.6	-162.9	-175.7	0	0	113	A347 V352 R353	A347-E349 PolarHBondContact O-N 2.79Å; E349-V352 PolarHBondContact O-N 3.17Å; E349-R353 WeakPolarHBondContact O-CG 2.92Å; E349-R353 PolarHBondContact O-N 3.1Å; E349-R353 IonicContact OE2-NH2 3.58Å; E349-R353 PolarHBondContact OE2-NH2 3.17Å; E349-R353 VanDerWaalsContact OE2-NH2 3.12Å
350	Q	95.4	Very high	95.6	Very high	136 Å²	136	98.7 Å²	98.7	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-67.2	-44.9	-179.9	-177.5	176.4	-2.9	0	0	110.6	A347 E348 V352 R353 R354	A347-Q350 PolarHBondContact O-N 3.22Å; A347-Q350 VanDerWaalsContact O-N 3.14Å; E348-Q350 VanDerWaalsContact C-N 3.31Å; E348-Q350 PolarHBondContact O-N 3.21Å; Q350-V352 VanDerWaalsContact C-N 3.34Å; Q350-V352 PolarHBondContact O-N 3.42Å; Q350-R353 PolarHBondContact O-N 3.38Å; Q350-R354 PolarHBondContact O-N 3.48Å
351	E	95.7	Very high	95.6	Very high	38 Å²	38	96.9 Å²	96.9	18%	0.178	47%	0.467	C	S	.	.	H	α-helix	trans	-65.4	-37.4	176.5	-68.7	-58.6	135.6	0	0	111.8	S335 V342 A347 E348 R353 R354 Y355	S335-E351 PolarHBondContact OG-OE2 3.42Å; V342-E351 HydrophobicContact CG1-CG 4.23Å; V342-E351 HydrophobicContact CG2-CG 4.12Å; A347-E351 PolarHBondContact O-N 2.97Å; A347-E351 VanDerWaalsContact O-N 3.17Å; E348-E351 PolarHBondContact O-N 2.79Å; E351-R353 PolarHBondContact O-N 3Å; E351-R354 PolarHBondContact O-N 3.23Å; E351-R354 IonicContact OE1-NH1 2.68Å; E351-R354 IonicContact OE2-NH1 2.61Å; E351-Y355 WeakPolarHBondContact O-CB 3.36Å; E351-Y355 PolarHBondContact O-N 3.37Å
352	V	96	Very high	95.5	Very high	97 Å²	97	93.3 Å²	93.3	59%	0.588	45%	0.446	S	S	*	.	H	α-helix	trans	-61.7	-43.1	173.2	169.9	0	0	0	0	111.7	E348 E349 Q350 Y355 K356	E348-V352 VanDerWaalsContact O-CG2 3.29Å; E348-V352 WeakPolarHBondContact O-CG2 3.47Å; E348-V352 PolarHBondContact O-N 3.47Å; E349-V352 PolarHBondContact O-N 3.17Å; Q350-V352 VanDerWaalsContact C-N 3.34Å; Q350-V352 PolarHBondContact O-N 3.42Å; V352-Y355 PolarHBondContact O-N 3.48Å; V352-K356 WeakPolarHBondContact O-CB 3.27Å; V352-K356 PolarHBondContact O-N 3.1Å
353	R	96.5	Very high	95.5	Very high	156 Å²	156	99.9 Å²	99.9	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-63.7	-45.7	176.8	-71.1	175.5	-160.9	-176.7	9	111.5	E349 Q350 E351 Y355 K356 E357	E349-R353 WeakPolarHBondContact O-CG 2.92Å; E349-R353 PolarHBondContact O-N 3.1Å; E349-R353 IonicContact OE2-NH2 3.58Å; E349-R353 PolarHBondContact OE2-NH2 3.17Å; E349-R353 VanDerWaalsContact OE2-NH2 3.12Å; Q350-R353 PolarHBondContact O-N 3.38Å; E351-R353 PolarHBondContact O-N 3Å; R353-Y355 VanDerWaalsContact C-N 3.3Å; R353-Y355 PolarHBondContact O-N 3.43Å; R353-K356 WeakPolarHBondContact O-CB 3.24Å; R353-K356 PolarHBondContact O-N 3.43Å; R353-K356 VanDerWaalsContact O-N 3.12Å; R353-E357 WeakPolarHBondContact O-CG 3.5Å; R353-E357 PolarHBondContact O-N 2.84Å
354	R	95	Very high	95.5	Very high	99 Å²	99	96.4 Å²	96.4	37%	0.374	46%	0.46	S	S	.	.	H	α-helix	trans	-57.9	-41.9	176.6	-172.9	-179.2	170.5	-154.1	-5.4	111.8	V331 E334 Q350 E351 A358	V331-R354 HydrophobicContact CG1-CB 4.41Å; V331-R354 HydrophobicContact CG1-CG 4Å; V331-R354 HydrophobicContact CG2-CG 4.27Å; E334-R354 IonicContact OE2-CZ 3.19Å; E334-R354 IonicContact OE2-NH1 3.05Å; E334-R354 PolarHBondContact OE2-NH1 2.94Å; E334-R354 IonicContact OE2-NH2 2.71Å; E334-R354 PolarHBondContact OE2-NH2 2.95Å; Q350-R354 PolarHBondContact O-N 3.48Å; E351-R354 PolarHBondContact O-N 3.23Å; E351-R354 IonicContact OE1-NH1 2.68Å; E351-R354 IonicContact OE2-NH1 2.61Å; R354-A358 PolarHBondContact O-N 2.8Å
355	Y	95.8	Very high	95.4	Very high	93 Å²	93	92.7 Å²	92.7	37%	0.365	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-41	175.1	-175.4	-118.9	0	0	0	112.6	A328 V332 E351 V352 R353 E357 A358 L359	A328-Y355 HydrophobicContact CB-CE2 4.19Å; V332-Y355 HydrophobicContact CG2-CD2 3.68Å; V332-Y355 HydrophobicContact CG2-CE2 3.39Å; E351-Y355 WeakPolarHBondContact O-CB 3.36Å; E351-Y355 PolarHBondContact O-N 3.37Å; V352-Y355 PolarHBondContact O-N 3.48Å; R353-Y355 VanDerWaalsContact C-N 3.3Å; R353-Y355 PolarHBondContact O-N 3.43Å; Y355-E357 PolarHBondContact O-N 2.84Å; Y355-A358 PolarHBondContact O-N 3.41Å; Y355-L359 HydrophobicContact CD1-CD1 3.84Å; Y355-L359 HydrophobicContact CD1-CG 4.38Å; Y355-L359 HydrophobicContact CE1-CD1 3.41Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y355-L359 HydrophobicContact CE1-CG 4.02Å; Y355-L359 HydrophobicContact CE2-CD2 4.48Å; Y355-L359 HydrophobicContact CE2-CG 4.27Å; Y355-L359 PolarHBondContact O-N 2.92Å
356	K	96.8	Very high	95.4	Very high	151 Å²	151	90.4 Å²	90.4	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-60.7	-41.9	176.9	-173.5	179.2	178.5	-178.9	0	112.3	V352 R353 L359 E360	V352-K356 WeakPolarHBondContact O-CB 3.27Å; V352-K356 PolarHBondContact O-N 3.1Å; R353-K356 WeakPolarHBondContact O-CB 3.24Å; R353-K356 PolarHBondContact O-N 3.43Å; R353-K356 VanDerWaalsContact O-N 3.12Å; K356-L359 PolarHBondContact O-N 2.76Å; K356-E360 PolarHBondContact O-N 3.35Å
357	E	95.3	Very high	95.4	Very high	145 Å²	145	96.4 Å²	96.4	68%	0.678	43%	0.426	S	S	*	.	H	α-helix	trans	-62.4	-42.7	175.5	-72.1	172.3	-171.7	0	0	112	R353 Y355 L359 E360	R353-E357 WeakPolarHBondContact O-CG 3.5Å; R353-E357 PolarHBondContact O-N 2.84Å; Y355-E357 PolarHBondContact O-N 2.84Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.84Å; E357-E360 PolarHBondContact O-N 3.48Å
358	A	93	Very high	95.3	Very high	22 Å²	22	101.3 Å²	101.3	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-63.1	-37.7	175.1	0	0	0	0	0	112.3	A328 R354 Y355 C362	A328-A358 HydrophobicContact CB-CB 3.95Å; R354-A358 PolarHBondContact O-N 2.8Å; Y355-A358 PolarHBondContact O-N 3.41Å; A358-C362 PolarHBondContact O-N 3.3Å; A358-C362 PolarHBondContact O-SG 3.34Å
359	L	95.9	Very high	95.2	Very high	72 Å²	72	100.9 Å²	100.9	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-68.7	-36	175.9	-77.3	178.1	0	0	0	113.3	Y355 K356 E357 R361 C362 R363	Y355-L359 HydrophobicContact CD1-CD1 3.84Å; Y355-L359 HydrophobicContact CD1-CG 4.38Å; Y355-L359 HydrophobicContact CE1-CD1 3.41Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y355-L359 HydrophobicContact CE1-CG 4.02Å; Y355-L359 HydrophobicContact CE2-CD2 4.48Å; Y355-L359 HydrophobicContact CE2-CG 4.27Å; Y355-L359 PolarHBondContact O-N 2.92Å; K356-L359 PolarHBondContact O-N 2.76Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.84Å; L359-R361 PolarHBondContact O-N 3.18Å; L359-C362 WeakPolarHBondContact O-CA 3.35Å; L359-C362 WeakPolarHBondContact O-CB 3.25Å; L359-C362 PolarHBondContact O-N 3.17Å; L359-R363 PolarHBondContact O-N 3.27Å
360	E	96.3	Very high	95	Very high	79 Å²	79	97.3 Å²	97.3	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-35.7	179.6	-169.4	58.3	-144.7	0	0	111.2	K356 E357 R363 Q364	K356-E360 PolarHBondContact O-N 3.35Å; E357-E360 PolarHBondContact O-N 3.48Å; E360-R363 WeakPolarHBondContact O-CB 3.42Å; E360-R363 PolarHBondContact O-N 3.34Å; E360-R363 IonicContact OE1-NH1 2.66Å; E360-R363 IonicContact OE2-NH1 3.73Å; E360-Q364 WeakPolarHBondContact O-CG 3.3Å; E360-Q364 PolarHBondContact O-N 3.4Å
361	R	92.1	Very high	94.9	Very high	133 Å²	133	96.2 Å²	96.2	50%	0.502	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-42.2	172.5	-174.2	59	178.5	177.4	1.1	112.3	A324 L359 R363 Q364 L365	A324-R361 HydrophobicContact CB-CG 4.36Å; L359-R361 PolarHBondContact O-N 3.18Å; R361-R363 VanDerWaalsContact C-N 3.32Å; R361-R363 PolarHBondContact O-N 2.98Å; R361-Q364 PolarHBondContact O-N 3.08Å; R361-L365 WeakPolarHBondContact O-CG 3.28Å; R361-L365 PolarHBondContact O-N 3.09Å
362	C	94.3	Very high	94.6	Very high	6 Å²	6	96.9 Å²	96.9	4%	0.041	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-44.6	175.6	-62.2	0	0	0	0	110.8	A358 L359 Q364 L365 W366	A358-C362 PolarHBondContact O-N 3.3Å; A358-C362 PolarHBondContact O-SG 3.34Å; L359-C362 WeakPolarHBondContact O-CA 3.35Å; L359-C362 WeakPolarHBondContact O-CB 3.25Å; L359-C362 PolarHBondContact O-N 3.17Å; C362-Q364 PolarHBondContact O-N 3.44Å; C362-L365 PolarHBondContact O-N 3.32Å; C362-W366 PolarHBondContact O-N 2.79Å
363	R	96.3	Very high	94.3	Very high	155 Å²	155	96.8 Å²	96.8	59%	0.585	41%	0.413	S	S	*	.	H	α-helix	trans	-58.1	-47.7	178.9	-176.9	-174.7	177.4	-168.4	1.1	112.3	L359 E360 R361 L365 W366 W367	L359-R363 PolarHBondContact O-N 3.27Å; E360-R363 WeakPolarHBondContact O-CB 3.42Å; E360-R363 PolarHBondContact O-N 3.34Å; E360-R363 IonicContact OE1-NH1 2.66Å; E360-R363 IonicContact OE2-NH1 3.73Å; R361-R363 VanDerWaalsContact C-N 3.32Å; R361-R363 PolarHBondContact O-N 2.98Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.44Å; R363-W366 PolarHBondContact O-N 2.9Å; R363-W367 WeakPolarHBondContact O-CB 2.89Å; R363-W367 PolarHBondContact O-N 3.27Å
364	Q	95.7	Very high	94.2	Very high	100 Å²	100	92.4 Å²	92.4	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-58.6	-42.8	178.6	-71.5	173.5	0.5	0	0	112	E360 R361 C362 R368	E360-Q364 WeakPolarHBondContact O-CG 3.3Å; E360-Q364 PolarHBondContact O-N 3.4Å; R361-Q364 PolarHBondContact O-N 3.08Å; C362-Q364 PolarHBondContact O-N 3.44Å; Q364-R368 PolarHBondContact O-N 3.34Å; Q364-R368 VanDerWaalsContact O-N 3.08Å
365	L	93.8	Very high	94	Very high	8 Å²	8	93 Å²	93	4%	0.042	42%	0.416	C	S	.	.	H	α-helix	trans	-70.3	-41	179.4	-66.3	171.9	0	0	0	112.2	E320 I321 A324 R361 C362 R363 R368 R369	E320-L365 HydrophobicContact CB-CD1 4.05Å; E320-L365 HydrophobicContact CB-CD2 4.15Å; E320-L365 VanDerWaalsContact OE2-CD2 3.3Å; E320-L365 WeakPolarHBondContact OE2-CD2 3.32Å; I321-L365 HydrophobicContact CD1-CB 4.42Å; I321-L365 HydrophobicContact CG1-CB 3.63Å; I321-L365 HydrophobicContact CG1-CD1 4.4Å; A324-L365 HydrophobicContact CB-CD1 3.82Å; R361-L365 WeakPolarHBondContact O-CG 3.28Å; R361-L365 PolarHBondContact O-N 3.09Å; C362-L365 PolarHBondContact O-N 3.32Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.44Å; L365-R368 PolarHBondContact O-N 3.46Å; L365-R369 WeakPolarHBondContact O-CB 3.27Å; L365-R369 PolarHBondContact O-N 3.12Å
366	W	95.3	Very high	93.6	Very high	120 Å²	120	89.7 Å²	89.7	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-61.2	-45.2	174.2	-74	7	0	0	0	111.4	I321 C362 R363 R368 R369 D370	I321-W366 VanDerWaalsContact CG2-NE1 3.28Å; C362-W366 PolarHBondContact O-N 2.79Å; R363-W366 PolarHBondContact O-N 2.9Å; W366-R368 VanDerWaalsContact C-N 3.33Å; W366-R368 PolarHBondContact O-N 2.89Å; W366-R369 WeakPolarHBondContact O-CB 3.37Å; W366-R369 PolarHBondContact O-N 3.09Å; W366-D370 WeakPolarHBondContact O-CB 3.27Å; W366-D370 PolarHBondContact O-N 2.86Å
367	W	96.1	Very high	93.2	Very high	181 Å²	181	86.6 Å²	86.6	69%	0.686	39%	0.393	S	S	*	.	H	α-helix	trans	-59.5	-45.1	177.4	-168.1	-88.7	0	0	0	112	R363 D370 L371	R363-W367 WeakPolarHBondContact O-CB 2.89Å; R363-W367 PolarHBondContact O-N 3.27Å; W367-D370 PolarHBondContact O-N 3.14Å; W367-L371 WeakPolarHBondContact O-CB 3.38Å; W367-L371 PolarHBondContact O-N 2.99Å
368	R	93.4	Very high	93	Very high	125 Å²	125	84 Å²	84	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-49.1	175.7	-178	179.8	176.4	-178.1	2.8	111.8	Q364 L365 W366 D370 L371 E372	Q364-R368 PolarHBondContact O-N 3.34Å; Q364-R368 VanDerWaalsContact O-N 3.08Å; L365-R368 PolarHBondContact O-N 3.46Å; W366-R368 VanDerWaalsContact C-N 3.33Å; W366-R368 PolarHBondContact O-N 2.89Å; R368-D370 VanDerWaalsContact C-N 3.31Å; R368-D370 PolarHBondContact O-N 2.9Å; R368-L371 PolarHBondContact O-N 3.44Å; R368-E372 WeakPolarHBondContact CG-OE1 3.2Å; R368-E372 IonicContact CZ-OE1 3.77Å; R368-E372 IonicContact NE-OE1 3.5Å; R368-E372 PolarHBondContact NE-OE1 3.37Å; R368-E372 IonicContact NH2-OE1 2.96Å; R368-E372 WeakPolarHBondContact O-CB 3.39Å; R368-E372 WeakPolarHBondContact O-CG 3.11Å; R368-E372 PolarHBondContact O-N 3.3Å
369	R	93.3	Very high	92.8	Very high	64 Å²	64	86.5 Å²	86.5	24%	0.242	40%	0.397	C	S	.	.	H	α-helix	trans	-56.4	-46.8	176.5	-178.9	-158.8	68.1	-168.9	-5.8	111.2	V317 I321 L365 W366 E372 K373	V317-R369 HydrophobicContact CG1-CB 3.88Å; I321-R369 HydrophobicContact CD1-CB 4.09Å; I321-R369 HydrophobicContact CD1-CG 4.4Å; L365-R369 WeakPolarHBondContact O-CB 3.27Å; L365-R369 PolarHBondContact O-N 3.12Å; W366-R369 WeakPolarHBondContact O-CB 3.37Å; W366-R369 PolarHBondContact O-N 3.09Å; R369-E372 PolarHBondContact O-N 2.91Å; R369-K373 VanDerWaalsContact O-CB 3.23Å; R369-K373 WeakPolarHBondContact O-CB 3.22Å; R369-K373 PolarHBondContact O-N 2.88Å
370	D	93.2	Very high	92.3	Very high	64 Å²	64	84.9 Å²	84.9	34%	0.342	39%	0.387	S	S	.	.	H	α-helix	trans	-71.7	-36.8	-173.9	-68.3	-15.6	0	0	0	111.5	W366 W367 R368 S374	W366-D370 WeakPolarHBondContact O-CB 3.27Å; W366-D370 PolarHBondContact O-N 2.86Å; W367-D370 PolarHBondContact O-N 3.14Å; R368-D370 VanDerWaalsContact C-N 3.31Å; R368-D370 PolarHBondContact O-N 2.9Å; D370-S374 VanDerWaalsContact O-CB 3.24Å; D370-S374 WeakPolarHBondContact O-CB 3.27Å; D370-S374 PolarHBondContact O-N 2.99Å; D370-S374 PolarHBondContact O-OG 2.99Å
371	L	93.3	Very high	91.9	Very high	113 Å²	113	89.1 Å²	89.1	59%	0.592	40%	0.4	S	S	*	.	H	α-helix	trans	-64.3	-49.2	172	-173.6	71.7	0	0	0	111.5	W367 R368 K373 S374 L375	W367-L371 WeakPolarHBondContact O-CB 3.38Å; W367-L371 PolarHBondContact O-N 2.99Å; R368-L371 PolarHBondContact O-N 3.44Å; L371-K373 VanDerWaalsContact C-N 3.33Å; L371-K373 PolarHBondContact O-N 3.49Å; L371-S374 PolarHBondContact O-N 3.38Å; L371-L375 PolarHBondContact O-N 3.26Å
372	E	89.2	Confident	91.9	Very high	51 Å²	51	87.3 Å²	87.3	24%	0.238	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-41.8	178	-72.5	177.8	-166	0	0	111.2	R368 R369 Y376	R368-E372 WeakPolarHBondContact CG-OE1 3.2Å; R368-E372 IonicContact CZ-OE1 3.77Å; R368-E372 IonicContact NE-OE1 3.5Å; R368-E372 PolarHBondContact NE-OE1 3.37Å; R368-E372 IonicContact NH2-OE1 2.96Å; R368-E372 WeakPolarHBondContact O-CB 3.39Å; R368-E372 WeakPolarHBondContact O-CG 3.11Å; R368-E372 PolarHBondContact O-N 3.3Å; R369-E372 PolarHBondContact O-N 2.91Å; E372-Y376 WeakPolarHBondContact O-CB 3.42Å; E372-Y376 PolarHBondContact O-N 2.95Å; E372-Y376 VanDerWaalsContact O-N 3.08Å
373	K	89.9	Confident	91.5	Very high	95 Å²	95	90.2 Å²	90.2	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175.2	-175.1	174.1	179.9	178	0	112.2	Y310 R369 L371 L375 Y376 L377	Y310-K373 WeakPolarHBondContact OH-CB 3.5Å; R369-K373 VanDerWaalsContact O-CB 3.23Å; R369-K373 WeakPolarHBondContact O-CB 3.22Å; R369-K373 PolarHBondContact O-N 2.88Å; L371-K373 VanDerWaalsContact C-N 3.33Å; L371-K373 PolarHBondContact O-N 3.49Å; K373-L375 VanDerWaalsContact C-N 3.34Å; K373-L375 PolarHBondContact O-N 3.18Å; K373-Y376 PolarHBondContact O-N 2.97Å; K373-L377 HydrophobicContact CG-CD1 4.11Å; K373-L377 HydrophobicContact CG-CG 4.39Å; K373-L377 WeakPolarHBondContact O-CG 3.32Å; K373-L377 PolarHBondContact O-N 3.28Å
374	S	93.3	Very high	90.9	Very high	65 Å²	65	84.8 Å²	84.8	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-43.8	179.8	-61.2	0	0	0	0	111.1	D370 L371 L377 V378	D370-S374 VanDerWaalsContact O-CB 3.24Å; D370-S374 WeakPolarHBondContact O-CB 3.27Å; D370-S374 PolarHBondContact O-N 2.99Å; D370-S374 PolarHBondContact O-OG 2.99Å; L371-S374 PolarHBondContact O-N 3.38Å; S374-L377 PolarHBondContact O-N 2.89Å; S374-V378 WeakPolarHBondContact O-CG2 3.43Å; S374-V378 PolarHBondContact O-N 2.99Å
375	L	91.2	Very high	90.6	Very high	111 Å²	111	83.5 Å²	83.5	58%	0.581	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-45.1	175.5	-178	63.2	0	0	0	111.6	L371 K373 V378 I379	L371-L375 PolarHBondContact O-N 3.26Å; K373-L375 VanDerWaalsContact C-N 3.34Å; K373-L375 PolarHBondContact O-N 3.18Å; L375-V378 PolarHBondContact O-N 2.82Å; L375-I379 HydrophobicContact CD1-CD1 4.22Å; L375-I379 HydrophobicContact CG-CD1 4Å; L375-I379 VanDerWaalsContact O-CG1 3.31Å; L375-I379 WeakPolarHBondContact O-CG1 3.37Å; L375-I379 PolarHBondContact O-N 3.3Å
376	Y	88	Confident	90.4	Very high	23 Å²	23	85.2 Å²	85.2	9%	0.09	42%	0.421	C	S	.	.	H	α-helix	trans	-58.7	-47.3	176	170.3	-101	0	0	0	112.3	A306 Y310 E372 K373 V378 I379 Q380	A306-Y376 HydrophobicContact CB-CE2 4.33Å; Y310-Y376 HydrophobicContact CD1-CD1 4.09Å; Y310-Y376 HydrophobicContact CD1-CD2 4.17Å; Y310-Y376 HydrophobicContact CD1-CE1 4.22Å; Y310-Y376 HydrophobicContact CD1-CE2 4.28Å; Y310-Y376 HydrophobicContact CD1-CG 4.07Å; Y310-Y376 HydrophobicContact CD2-CD2 4.08Å; Y310-Y376 AromaticContact CD2-CG 3.84Å; Y310-Y376 HydrophobicContact CD2-CG 3.84Å; Y310-Y376 HydrophobicContact CE1-CD1 4.14Å; Y310-Y376 HydrophobicContact CE1-CE1 4.43Å; Y310-Y376 HydrophobicContact CE1-CG 4.4Å; Y310-Y376 HydrophobicContact CE2-CG 4.19Å; Y310-Y376 HydrophobicContact CG-CD1 4.28Å; Y310-Y376 AromaticContact CG-CD2 3.7Å; Y310-Y376 HydrophobicContact CG-CD2 3.7Å; Y310-Y376 HydrophobicContact CG-CE2 4.12Å; Y310-Y376 AromaticContact CG-CG 3.78Å; Y310-Y376 HydrophobicContact CG-CG 3.78Å; E372-Y376 WeakPolarHBondContact O-CB 3.42Å; E372-Y376 PolarHBondContact O-N 2.95Å; E372-Y376 VanDerWaalsContact O-N 3.08Å; K373-Y376 PolarHBondContact O-N 2.97Å; Y376-V378 VanDerWaalsContact C-N 3.34Å; Y376-V378 PolarHBondContact O-N 2.96Å; Y376-I379 PolarHBondContact O-N 3.47Å; Y376-Q380 VanDerWaalsContact CE1-OE1 3.29Å; Y376-Q380 WeakPolarHBondContact O-CB 3.35Å; Y376-Q380 PolarHBondContact O-N 3.05Å
377	L	88.2	Confident	90	Very high	86 Å²	86	80.5 Å²	80.5	45%	0.45	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-39.9	179.3	-72.3	172.5	0	0	0	112.3	K373 S374 Q380 R381	K373-L377 HydrophobicContact CG-CD1 4.11Å; K373-L377 HydrophobicContact CG-CG 4.39Å; K373-L377 WeakPolarHBondContact O-CG 3.32Å; K373-L377 PolarHBondContact O-N 3.28Å; S374-L377 PolarHBondContact O-N 2.89Å; L377-Q380 PolarHBondContact O-N 3.49Å; L377-R381 VanDerWaalsContact O-CB 3.29Å; L377-R381 WeakPolarHBondContact O-CB 3.49Å; L377-R381 PolarHBondContact O-N 2.87Å
378	V	92.2	Very high	89.6	Confident	91 Å²	91	75.8 Å²	75.8	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-63.8	-47.1	175.7	171.6	0	0	0	0	110.6	S374 L375 Y376 Q380 R381 V382	S374-V378 WeakPolarHBondContact O-CG2 3.43Å; S374-V378 PolarHBondContact O-N 2.99Å; L375-V378 PolarHBondContact O-N 2.82Å; Y376-V378 VanDerWaalsContact C-N 3.34Å; Y376-V378 PolarHBondContact O-N 2.96Å; V378-Q380 VanDerWaalsContact C-N 3.35Å; V378-Q380 PolarHBondContact O-N 3.46Å; V378-R381 PolarHBondContact O-N 2.75Å; V378-V382 HydrophobicContact CG1-CG2 4.45Å; V378-V382 WeakPolarHBondContact O-CG2 3.08Å; V378-V382 PolarHBondContact O-N 3.24Å
379	I	87.7	Confident	89.5	Confident	74 Å²	74	74.4 Å²	74.4	38%	0.379	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-47.3	178.1	-68.7	168	0	0	0	110.5	L375 Y376 R381 V382 M383	L375-I379 HydrophobicContact CD1-CD1 4.22Å; L375-I379 HydrophobicContact CG-CD1 4Å; L375-I379 VanDerWaalsContact O-CG1 3.31Å; L375-I379 WeakPolarHBondContact O-CG1 3.37Å; L375-I379 PolarHBondContact O-N 3.3Å; Y376-I379 PolarHBondContact O-N 3.47Å; I379-R381 VanDerWaalsContact C-N 3.34Å; I379-R381 PolarHBondContact O-N 2.99Å; I379-V382 PolarHBondContact O-N 3.5Å; I379-M383 HydrophobicContact CG2-CE 3.65Å; I379-M383 HydrophobicContact CG2-SD 4.37Å; I379-M383 WeakPolarHBondContact O-CG 3.41Å; I379-M383 PolarHBondContact O-N 3Å
380	Q	86.1	Confident	89.3	Confident	39 Å²	39	75.1 Å²	75.1	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-41.8	178.6	-169.8	-178.5	4.9	0	0	111.6	Y376 L377 V378 M383 A384	Y376-Q380 VanDerWaalsContact CE1-OE1 3.29Å; Y376-Q380 WeakPolarHBondContact O-CB 3.35Å; Y376-Q380 PolarHBondContact O-N 3.05Å; L377-Q380 PolarHBondContact O-N 3.49Å; V378-Q380 VanDerWaalsContact C-N 3.35Å; V378-Q380 PolarHBondContact O-N 3.46Å; Q380-M383 PolarHBondContact O-N 3.32Å; Q380-A384 WeakPolarHBondContact O-CB 3.35Å; Q380-A384 PolarHBondContact O-N 3.32Å
381	R	88.2	Confident	89.1	Confident	167 Å²	167	72 Å²	72	63%	0.63	39%	0.387	S	S	*	.	H	α-helix	trans	-65.3	-41.7	177.9	-174.8	61.2	173.9	-173.2	1.9	112.2	L377 V378 I379 A384 L385	L377-R381 VanDerWaalsContact O-CB 3.29Å; L377-R381 WeakPolarHBondContact O-CB 3.49Å; L377-R381 PolarHBondContact O-N 2.87Å; V378-R381 PolarHBondContact O-N 2.75Å; I379-R381 VanDerWaalsContact C-N 3.34Å; I379-R381 PolarHBondContact O-N 2.99Å; R381-A384 PolarHBondContact O-N 3.24Å; R381-L385 HydrophobicContact CG-CD1 4.09Å; R381-L385 WeakPolarHBondContact O-CB 3.48Å; R381-L385 WeakPolarHBondContact O-CG 3.47Å; R381-L385 PolarHBondContact O-N 3.4Å
382	V	90.3	Very high	88.9	Confident	96 Å²	96	69.8 Å²	69.8	58%	0.582	38%	0.375	S	S	*	.	H	α-helix	trans	-65	-43.3	176.6	171.3	0	0	0	0	110.9	V378 I379 G386	V378-V382 HydrophobicContact CG1-CG2 4.45Å; V378-V382 WeakPolarHBondContact O-CG2 3.08Å; V378-V382 PolarHBondContact O-N 3.24Å; I379-V382 PolarHBondContact O-N 3.5Å; V382-G386 PolarHBondContact O-N 3.37Å
383	M	86.1	Confident	88.9	Confident	66 Å²	66	71.7 Å²	71.7	33%	0.325	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-48.9	175.1	-73.6	-176.6	-173.8	0	0	111.7	L302 I379 Q380 L385 G386 M387	L302-M383 HydrophobicContact CD2-CG 4.48Å; L302-M383 HydrophobicContact CD2-SD 4.04Å; I379-M383 HydrophobicContact CG2-CE 3.65Å; I379-M383 HydrophobicContact CG2-SD 4.37Å; I379-M383 WeakPolarHBondContact O-CG 3.41Å; I379-M383 PolarHBondContact O-N 3Å; Q380-M383 PolarHBondContact O-N 3.32Å; M383-L385 PolarHBondContact O-N 3.46Å; M383-G386 PolarHBondContact O-N 3.5Å; M383-M387 WeakPolarHBondContact O-CB 3.33Å; M383-M387 PolarHBondContact O-N 3.12Å
384	A	85.6	Confident	88.9	Confident	42 Å²	42	69 Å²	69	35%	0.347	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-44.3	179.8	0	0	0	0	0	112.3	Q380 R381 M387 Q388	Q380-A384 WeakPolarHBondContact O-CB 3.35Å; Q380-A384 PolarHBondContact O-N 3.32Å; R381-A384 PolarHBondContact O-N 3.24Å; A384-M387 PolarHBondContact O-N 3.07Å; A384-Q388 WeakPolarHBondContact O-CB 3.32Å; A384-Q388 PolarHBondContact O-N 3.37Å
385	L	88.9	Confident	88.8	Confident	73 Å²	73	65.9 Å²	65.9	38%	0.382	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-43.1	175.6	-74.9	170.3	0	0	0	111.9	R381 M383 M387 Q388 V389	R381-L385 HydrophobicContact CG-CD1 4.09Å; R381-L385 WeakPolarHBondContact O-CB 3.48Å; R381-L385 WeakPolarHBondContact O-CG 3.47Å; R381-L385 PolarHBondContact O-N 3.4Å; M383-L385 PolarHBondContact O-N 3.46Å; L385-M387 VanDerWaalsContact C-N 3.27Å; L385-M387 PolarHBondContact O-N 3.19Å; L385-Q388 PolarHBondContact O-N 3.24Å; L385-V389 WeakPolarHBondContact O-CG2 3.22Å; L385-V389 PolarHBondContact O-N 3.11Å
386	G	89.5	Confident	88.7	Confident	43 Å²	43	64 Å²	64	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-41.2	175.8	0	0	0	0	0	111.8	V382 M383 V389 L390	V382-G386 PolarHBondContact O-N 3.37Å; M383-G386 PolarHBondContact O-N 3.5Å; G386-V389 PolarHBondContact O-N 3.41Å; G386-L390 WeakPolarHBondContact O-CB 3.11Å; G386-L390 PolarHBondContact O-N 3.08Å
387	M	86.5	Confident	88.7	Confident	22 Å²	22	68.3 Å²	68.3	11%	0.108	37%	0.37	C	S	.	.	H	α-helix	trans	-67.8	-41.9	176.5	-169.5	55.7	177.3	0	0	112.4	L295 L298 D299 M383 A384 L385 V389 L390 I391	L295-M387 HydrophobicContact CD1-CE 4.2Å; L295-M387 HydrophobicContact CG-CE 3.86Å; L295-M387 WeakPolarHBondContact O-CE 3.39Å; L298-M387 HydrophobicContact CB-CE 4.41Å; D299-M387 HydrophobicContact CB-CE 4.41Å; D299-M387 HydrophobicContact CB-CG 4.08Å; M383-M387 WeakPolarHBondContact O-CB 3.33Å; M383-M387 PolarHBondContact O-N 3.12Å; A384-M387 PolarHBondContact O-N 3.07Å; L385-M387 VanDerWaalsContact C-N 3.27Å; L385-M387 PolarHBondContact O-N 3.19Å; M387-V389 PolarHBondContact O-N 3.06Å; M387-L390 WeakPolarHBondContact O-CB 3.44Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 HydrophobicContact SD-CD2 4.1Å; M387-I391 HydrophobicContact CE-CD1 4.03Å; M387-I391 HydrophobicContact CE-CG1 4.29Å; M387-I391 HydrophobicContact CG-CD1 4.04Å; M387-I391 VanDerWaalsContact O-CG1 3.29Å; M387-I391 WeakPolarHBondContact O-CG1 3.42Å; M387-I391 PolarHBondContact O-N 3.2Å; M387-I391 HydrophobicContact SD-CD1 4.49Å
388	Q	88.1	Confident	88.8	Confident	82 Å²	82	64.7 Å²	64.7	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-43.1	174.7	-170.6	178.4	13.1	0	0	112	A384 L385 I391 L392	A384-Q388 WeakPolarHBondContact O-CB 3.32Å; A384-Q388 PolarHBondContact O-N 3.37Å; L385-Q388 PolarHBondContact O-N 3.24Å; Q388-I391 PolarHBondContact O-N 3.04Å; Q388-L392 HydrophobicContact CG-CD1 4.32Å; Q388-L392 WeakPolarHBondContact O-CB 3.19Å; Q388-L392 WeakPolarHBondContact O-CG 3.36Å; Q388-L392 PolarHBondContact O-N 3.38Å
389	V	90.6	Very high	88.7	Confident	96 Å²	96	62.6 Å²	62.6	58%	0.582	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-41.4	175.3	171.3	0	0	0	0	111.2	L385 G386 M387 L392 N393	L385-V389 WeakPolarHBondContact O-CG2 3.22Å; L385-V389 PolarHBondContact O-N 3.11Å; G386-V389 PolarHBondContact O-N 3.41Å; M387-V389 PolarHBondContact O-N 3.06Å; V389-L392 PolarHBondContact O-N 2.85Å; V389-N393 WeakPolarHBondContact O-CB 3.5Å; V389-N393 PolarHBondContact O-N 3.09Å
390	L	88.5	Confident	88.8	Confident	78 Å²	78	66 Å²	66	41%	0.408	36%	0.355	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177.2	-173.8	66.5	0	0	0	111.7	L295 G386 M387 N393 V394	L295-L390 HydrophobicContact CD1-CD2 3.87Å; L295-L390 HydrophobicContact CD1-CG 4.47Å; L295-L390 HydrophobicContact CD2-CG 4.29Å; G386-L390 WeakPolarHBondContact O-CB 3.11Å; G386-L390 PolarHBondContact O-N 3.08Å; M387-L390 WeakPolarHBondContact O-CB 3.44Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 HydrophobicContact SD-CD2 4.1Å; L390-N393 PolarHBondContact O-N 3.43Å; L390-V394 WeakPolarHBondContact O-CG2 3.31Å; L390-V394 PolarHBondContact O-N 2.95Å
391	I	89	Confident	88.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-41	178.1	-70	168.1	0	0	0	111.2	L295 M387 Q388 G395 F412 L413	L295-I391 HydrophobicContact CD2-CG1 3.83Å; L295-I391 HydrophobicContact CG-CG1 4.14Å; M387-I391 HydrophobicContact CE-CD1 4.03Å; M387-I391 HydrophobicContact CE-CG1 4.29Å; M387-I391 HydrophobicContact CG-CD1 4.04Å; M387-I391 VanDerWaalsContact O-CG1 3.29Å; M387-I391 WeakPolarHBondContact O-CG1 3.42Å; M387-I391 PolarHBondContact O-N 3.2Å; M387-I391 HydrophobicContact SD-CD1 4.49Å; Q388-I391 PolarHBondContact O-N 3.04Å; I391-G395 WeakPolarHBondContact O-CA 3.2Å; I391-G395 PolarHBondContact O-N 3.13Å; I391-F412 HydrophobicContact CG2-CD1 4.07Å; I391-F412 HydrophobicContact CG2-CE1 3.79Å; I391-L413 HydrophobicContact CG2-CD2 4.06Å
392	L	90.1	Very high	88.6	Confident	65 Å²	65	62.5 Å²	62.5	34%	0.34	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-45.5	173.3	-81.7	165.7	0	0	0	111.6	Q388 V389 G395 V396 L413	Q388-L392 HydrophobicContact CG-CD1 4.32Å; Q388-L392 WeakPolarHBondContact O-CB 3.19Å; Q388-L392 WeakPolarHBondContact O-CG 3.36Å; Q388-L392 PolarHBondContact O-N 3.38Å; V389-L392 PolarHBondContact O-N 2.85Å; L392-G395 PolarHBondContact O-N 3.47Å; L392-V396 WeakPolarHBondContact O-CG2 3.45Å; L392-V396 PolarHBondContact O-N 3.14Å; L392-L413 HydrophobicContact CD2-CD1 3.68Å; L392-L413 HydrophobicContact CD2-CD2 4.45Å; L392-L413 HydrophobicContact CG-CD1 4.41Å; L392-L413 HydrophobicContact CG-CD2 4.37Å
393	N	89.9	Confident	88.3	Confident	92 Å²	92	62.7 Å²	62.7	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-47.9	179.7	-174.2	37	0	0	0	111.9	V389 L390 G395 V396 Q397	V389-N393 WeakPolarHBondContact O-CB 3.5Å; V389-N393 PolarHBondContact O-N 3.09Å; L390-N393 PolarHBondContact O-N 3.43Å; N393-G395 VanDerWaalsContact C-N 3.34Å; N393-V396 PolarHBondContact O-N 3.46Å; N393-Q397 WeakPolarHBondContact O-CG 3.13Å; N393-Q397 PolarHBondContact O-N 3.35Å
394	V	89.1	Confident	88.4	Confident	38 Å²	38	60.1 Å²	60.1	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-67.6	-36.2	176.3	177.9	0	0	0	0	111.3	L292 L295 L390 Q397 Q398	L292-V394 HydrophobicContact CD2-CB 4.01Å; L292-V394 HydrophobicContact CD2-CG1 3.68Å; L295-V394 HydrophobicContact CD2-CB 4.16Å; L295-V394 HydrophobicContact CD2-CG1 4.48Å; L295-V394 HydrophobicContact CD2-CG2 3.99Å; L390-V394 WeakPolarHBondContact O-CG2 3.31Å; L390-V394 PolarHBondContact O-N 2.95Å; V394-Q397 WeakPolarHBondContact O-CB 3.39Å; V394-Q397 PolarHBondContact O-N 2.99Å; V394-Q398 PolarHBondContact O-N 3.4Å
395	G	90.3	Very high	88.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-42.9	176.4	0	0	0	0	0	112.6	I391 L392 N393 Q397 Q398 I399	I391-G395 WeakPolarHBondContact O-CA 3.2Å; I391-G395 PolarHBondContact O-N 3.13Å; L392-G395 PolarHBondContact O-N 3.47Å; N393-G395 VanDerWaalsContact C-N 3.34Å; G395-Q397 VanDerWaalsContact C-N 3.33Å; G395-Q397 PolarHBondContact O-N 3Å; G395-Q398 PolarHBondContact O-N 2.9Å; G395-I399 WeakPolarHBondContact O-CG1 3.33Å; G395-I399 PolarHBondContact O-N 2.82Å
396	V	89.7	Confident	88.6	Confident	70 Å²	70	66.1 Å²	66.1	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-42	174.1	170	0	0	0	0	111	L392 N393 Q398 I399 L400	L392-V396 WeakPolarHBondContact O-CG2 3.45Å; L392-V396 PolarHBondContact O-N 3.14Å; N393-V396 PolarHBondContact O-N 3.46Å; V396-Q398 VanDerWaalsContact C-N 3.28Å; V396-Q398 PolarHBondContact O-N 2.84Å; V396-I399 PolarHBondContact O-N 3.19Å; V396-L400 HydrophobicContact CG1-CD1 4.16Å; V396-L400 HydrophobicContact CG1-CG 4.43Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.49Å
397	Q	89.1	Confident	88.5	Confident	114 Å²	114	64 Å²	64	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-38.9	175.3	-68.5	176.5	-2	0	0	112	N393 V394 G395 L400 A401	N393-Q397 WeakPolarHBondContact O-CG 3.13Å; N393-Q397 PolarHBondContact O-N 3.35Å; V394-Q397 WeakPolarHBondContact O-CB 3.39Å; V394-Q397 PolarHBondContact O-N 2.99Å; G395-Q397 VanDerWaalsContact C-N 3.33Å; G395-Q397 PolarHBondContact O-N 3Å; Q397-L400 PolarHBondContact O-N 3.49Å; Q397-A401 WeakPolarHBondContact O-CB 3.27Å; Q397-A401 PolarHBondContact O-N 3.35Å
398	Q	88.8	Confident	88.7	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-34.1	176.1	-71.4	178.4	23.6	0	0	113	V394 G395 V396 A401 G402 E403 V404	V394-Q398 PolarHBondContact O-N 3.4Å; G395-Q398 PolarHBondContact O-N 2.9Å; V396-Q398 VanDerWaalsContact C-N 3.28Å; V396-Q398 PolarHBondContact O-N 2.84Å; Q398-A401 PolarHBondContact O-N 2.89Å; Q398-G402 PolarHBondContact O-N 3.15Å; Q398-E403 HydrophobicContact CB-CB 4.32Å; Q398-E403 PolarHBondContact O-N 3.45Å; Q398-V404 HydrophobicContact CB-CB 4.36Å; Q398-V404 HydrophobicContact CB-CG2 4.11Å
399	I	90.9	Very high	88.8	Confident	47 Å²	47	60.1 Å²	60.1	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-45.7	171.6	-68.1	168.2	0	0	0	110.3	G395 V396 A401 G402 V404 R406 L409	G395-I399 WeakPolarHBondContact O-CG1 3.33Å; G395-I399 PolarHBondContact O-N 2.82Å; V396-I399 PolarHBondContact O-N 3.19Å; I399-A401 VanDerWaalsContact C-N 3.26Å; I399-A401 PolarHBondContact O-N 3.06Å; I399-G402 PolarHBondContact O-N 3.41Å; I399-V404 WeakPolarHBondContact CA-O 3.31Å; I399-V404 WeakPolarHBondContact CG1-O 3.29Å; I399-R406 HydrophobicContact CD1-CG 4.49Å; I399-R406 HydrophobicContact CG2-CG 4.38Å; I399-L409 HydrophobicContact CD1-CB 3.97Å; I399-L409 HydrophobicContact CD1-CD2 3.47Å; I399-L409 VanDerWaalsContact CD1-CD2 3.47Å; I399-L409 HydrophobicContact CD1-CG 4.36Å
400	L	88.8	Confident	88.8	Confident	146 Å²	146	58.5 Å²	58.5	76%	0.764	33%	0.325	S	S	*	.	H	α-helix	trans	-64.8	-30.9	178	-67.8	173.8	0	0	0	112.4	V396 Q397 G402	V396-L400 HydrophobicContact CG1-CD1 4.16Å; V396-L400 HydrophobicContact CG1-CG 4.43Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.49Å; Q397-L400 PolarHBondContact O-N 3.49Å; L400-G402 VanDerWaalsContact C-N 3.26Å
401	A	87.6	Confident	89	Confident	67 Å²	67	55 Å²	55	55%	0.554	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.2	173.7	0	0	0	0	0	113.8	Q397 Q398 I399 E403	Q397-A401 WeakPolarHBondContact O-CB 3.27Å; Q397-A401 PolarHBondContact O-N 3.35Å; Q398-A401 PolarHBondContact O-N 2.89Å; I399-A401 VanDerWaalsContact C-N 3.26Å; I399-A401 PolarHBondContact O-N 3.06Å; A401-E403 VanDerWaalsContact C-N 3.25Å; A401-E403 HydrophobicContact CB-CG 4.09Å; A401-E403 PolarHBondContact O-N 2.87Å
402	G	83.5	Confident	89.1	Confident	66 Å²	66	55 Å²	55	68%	0.68	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	13.3	-176.6	0	0	0	0	0	114.5	Q398 I399 L400	Q398-G402 PolarHBondContact O-N 3.15Å; I399-G402 PolarHBondContact O-N 3.41Å; L400-G402 VanDerWaalsContact C-N 3.26Å
403	E	83.5	Confident	89.2	Confident	99 Å²	99	53.5 Å²	53.5	46%	0.463	30%	0.299	S	S	.	.	S	Bend	trans	-79.9	-28.8	-179.1	-65.3	-176.1	171.4	0	0	112.5	R291 Q398 A401	R291-E403 IonicContact CZ-OE1 2.73Å; R291-E403 IonicContact CZ-OE2 2.75Å; R291-E403 IonicContact NH1-OE1 3.73Å; R291-E403 PolarHBondContact NH1-OE1 3.45Å; R291-E403 IonicContact NH1-OE2 3.81Å; R291-E403 PolarHBondContact NH1-OE2 3.28Å; R291-E403 IonicContact NH2-OE1 3.71Å; Q398-E403 HydrophobicContact CB-CB 4.32Å; Q398-E403 PolarHBondContact O-N 3.45Å; A401-E403 VanDerWaalsContact C-N 3.25Å; A401-E403 HydrophobicContact CB-CG 4.09Å; A401-E403 PolarHBondContact O-N 2.87Å
404	V	88.9	Confident	89.2	Confident	13 Å²	13	51.9 Å²	51.9	8%	0.079	29%	0.29	C	S	.	.	S	Bend	trans	-138.2	142.4	-176.5	179.9	0	0	0	0	110.3	V288 Q398 I399 L409	V288-V404 HydrophobicContact CG1-CG1 4.27Å; Q398-V404 HydrophobicContact CB-CB 4.36Å; Q398-V404 HydrophobicContact CB-CG2 4.11Å; I399-V404 WeakPolarHBondContact CA-O 3.31Å; I399-V404 WeakPolarHBondContact CG1-O 3.29Å; V404-L409 HydrophobicContact CG1-CB 4.46Å
405	T	89.9	Confident	89.4	Confident	75 Å²	75	50.1 Å²	50.1	46%	0.46	28%	0.279	S	S	.	.			trans	-81.7	163.5	175.7	65.5	0	0	0	0	112.2	D178 G407 G408 L409	D178-T405 VanDerWaalsContact OD1-CB 3.27Å; D178-T405 WeakPolarHBondContact OD1-CB 3.49Å; D178-T405 PolarHBondContact OD1-OG1 3.33Å; D178-T405 WeakPolarHBondContact OD2-CB 3.36Å; D178-T405 PolarHBondContact OD2-OG1 2.91Å; T405-G407 VanDerWaalsContact C-N 3.32Å; T405-G407 PolarHBondContact O-N 3.03Å; T405-G408 PolarHBondContact O-N 3.16Å; T405-G408 PolarHBondContact OG1-N 3.44Å; T405-L409 PolarHBondContact O-N 3.42Å
406	R	88.2	Confident	89.4	Confident	165 Å²	165	51.5 Å²	51.5	62%	0.623	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-42.1	178.7	-65.1	178.1	-175.3	164.9	2.7	111.3	D178 I399 L409 L410	D178-R406 PolarHBondContact OD1-N 3.2Å; I399-R406 HydrophobicContact CD1-CG 4.49Å; I399-R406 HydrophobicContact CG2-CG 4.38Å; R406-L409 PolarHBondContact O-N 2.71Å; R406-L410 PolarHBondContact O-N 2.73Å
407	G	87.9	Confident	89.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-39	173.2	0	0	0	0	0	112.8	G174 D178 T405 L409 L410 S411	G174-G407 VanDerWaalsContact CA-O 3.27Å; G174-G407 WeakPolarHBondContact CA-O 3.32Å; G174-G407 WeakPolarHBondContact O-CA 3.26Å; D178-G407 VanDerWaalsContact OD1-CA 3.3Å; D178-G407 WeakPolarHBondContact OD1-CA 3.45Å; D178-G407 PolarHBondContact OD1-N 3.29Å; T405-G407 VanDerWaalsContact C-N 3.32Å; T405-G407 PolarHBondContact O-N 3.03Å; G407-L409 VanDerWaalsContact C-N 3.34Å; G407-L409 PolarHBondContact O-N 3.21Å; G407-L410 PolarHBondContact O-N 3.31Å; G407-L410 VanDerWaalsContact O-N 3.16Å; G407-S411 PolarHBondContact O-N 3.24Å; G407-S411 PolarHBondContact O-OG 2.98Å
408	G	89.6	Confident	89.3	Confident	10 Å²	10	51.5 Å²	51.5	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-43	172.9	0	0	0	0	0	112.6	V288 T405 S411 F412	V288-G408 WeakPolarHBondContact CG1-O 3.48Å; T405-G408 PolarHBondContact O-N 3.16Å; T405-G408 PolarHBondContact OG1-N 3.44Å; G408-S411 PolarHBondContact O-N 3.3Å; G408-F412 WeakPolarHBondContact O-CB 3.27Å; G408-F412 PolarHBondContact O-N 3.29Å
409	L	90.5	Very high	89.3	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-40.1	174.3	-177.2	61.8	0	0	0	112	L292 I399 V404 T405 R406 G407 F412 L413	L292-L409 HydrophobicContact CD1-CD1 3.88Å; I399-L409 HydrophobicContact CD1-CB 3.97Å; I399-L409 HydrophobicContact CD1-CD2 3.47Å; I399-L409 VanDerWaalsContact CD1-CD2 3.47Å; I399-L409 HydrophobicContact CD1-CG 4.36Å; V404-L409 HydrophobicContact CG1-CB 4.46Å; T405-L409 PolarHBondContact O-N 3.42Å; R406-L409 PolarHBondContact O-N 2.71Å; G407-L409 VanDerWaalsContact C-N 3.34Å; G407-L409 PolarHBondContact O-N 3.21Å; L409-F412 WeakPolarHBondContact O-CB 3.41Å; L409-F412 PolarHBondContact O-N 3.11Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 3.27Å
410	L	91.3	Very high	89	Confident	61 Å²	61	50 Å²	50	32%	0.319	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-48.2	174.9	178.6	65.1	0	0	0	111.7	I177 R406 G407 F412 L413 L414	I177-L410 HydrophobicContact CB-CD2 4.45Å; I177-L410 HydrophobicContact CD1-CD2 4.38Å; I177-L410 HydrophobicContact CG1-CD2 3.5Å; R406-L410 PolarHBondContact O-N 2.73Å; G407-L410 PolarHBondContact O-N 3.31Å; G407-L410 VanDerWaalsContact O-N 3.16Å; L410-F412 PolarHBondContact O-N 3Å; L410-L413 PolarHBondContact O-N 3.48Å; L410-L413 VanDerWaalsContact O-N 3.17Å; L410-L414 HydrophobicContact CD1-CG 4.41Å; L410-L414 HydrophobicContact CG-CD1 4.22Å; L410-L414 WeakPolarHBondContact O-CG 3.13Å; L410-L414 PolarHBondContact O-N 3.44Å
411	S	91.8	Very high	88.9	Confident	4 Å²	4	48 Å²	48	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-41.9	175.4	-65.2	0	0	0	0	111.2	P170 G174 G407 G408 L414 Y415	P170-S411 WeakPolarHBondContact O-CB 3.38Å; P170-S411 PolarHBondContact O-OG 2.62Å; G174-S411 VanDerWaalsContact CA-OG 3.28Å; G174-S411 WeakPolarHBondContact CA-OG 3.41Å; G174-S411 PolarHBondContact N-OG 2.88Å; G407-S411 PolarHBondContact O-N 3.24Å; G407-S411 PolarHBondContact O-OG 2.98Å; G408-S411 PolarHBondContact O-N 3.3Å; S411-L414 PolarHBondContact O-N 3.26Å; S411-Y415 WeakPolarHBondContact O-CB 3.25Å; S411-Y415 WeakPolarHBondContact O-CD2 3.37Å; S411-Y415 VanDerWaalsContact O-CG 3.27Å; S411-Y415 PolarHBondContact O-N 2.94Å
412	F	92.3	Very high	88.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-45.9	177.1	-174	-86.1	0	0	0	112.3	M285 V288 L292 I391 G408 L409 L410 Y415 Q416	M285-F412 HydrophobicContact CB-CD2 4.3Å; M285-F412 HydrophobicContact CB-CE2 3.96Å; M285-F412 HydrophobicContact CE-CD2 4.24Å; M285-F412 HydrophobicContact CE-CE1 3.96Å; M285-F412 HydrophobicContact CE-CE2 3.51Å; M285-F412 HydrophobicContact CE-CZ 3.31Å; M285-F412 HydrophobicContact CG-CD2 4.36Å; M285-F412 HydrophobicContact CG-CE2 4.21Å; V288-F412 HydrophobicContact CG1-CB 4.26Å; L292-F412 HydrophobicContact CB-CD1 4.2Å; L292-F412 HydrophobicContact CB-CD2 4.16Å; L292-F412 HydrophobicContact CB-CE1 3.67Å; L292-F412 HydrophobicContact CB-CE2 3.6Å; L292-F412 HydrophobicContact CB-CG 4.44Å; L292-F412 HydrophobicContact CB-CZ 3.35Å; L292-F412 HydrophobicContact CD1-CD1 4.21Å; L292-F412 HydrophobicContact CD1-CE1 4.48Å; L292-F412 HydrophobicContact CD1-CG 4.26Å; L292-F412 WeakPolarHBondContact O-CZ 3.23Å; I391-F412 HydrophobicContact CG2-CD1 4.07Å; I391-F412 HydrophobicContact CG2-CE1 3.79Å; G408-F412 WeakPolarHBondContact O-CB 3.27Å; G408-F412 PolarHBondContact O-N 3.29Å; L409-F412 WeakPolarHBondContact O-CB 3.41Å; L409-F412 PolarHBondContact O-N 3.11Å; L410-F412 PolarHBondContact O-N 3Å; F412-Y415 PolarHBondContact O-N 3.26Å; F412-Q416 HydrophobicContact CE1-CB 4.49Å; F412-Q416 WeakPolarHBondContact O-CB 3.26Å; F412-Q416 PolarHBondContact O-N 3.37Å
413	L	90.9	Very high	89	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-42.8	178.9	-68.3	169	0	0	0	112	I391 L392 L409 L410 Q416 E417	I391-L413 HydrophobicContact CG2-CD2 4.06Å; L392-L413 HydrophobicContact CD2-CD1 3.68Å; L392-L413 HydrophobicContact CD2-CD2 4.45Å; L392-L413 HydrophobicContact CG-CD1 4.41Å; L392-L413 HydrophobicContact CG-CD2 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 3.27Å; L410-L413 PolarHBondContact O-N 3.48Å; L410-L413 VanDerWaalsContact O-N 3.17Å; L413-Q416 PolarHBondContact O-N 2.98Å; L413-E417 PolarHBondContact O-N 3.01Å; L413-E417 VanDerWaalsContact O-N 3.13Å
414	L	91.8	Very high	88.8	Confident	59 Å²	59	41.5 Å²	41.5	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-63.9	-42.2	176.3	-68.3	175.2	0	0	0	111.8	P170 L410 S411 E417 E418	P170-L414 HydrophobicContact CB-CB 3.76Å; P170-L414 HydrophobicContact CB-CD1 4.01Å; P170-L414 HydrophobicContact CG-CB 4.24Å; L410-L414 HydrophobicContact CD1-CG 4.41Å; L410-L414 HydrophobicContact CG-CD1 4.22Å; L410-L414 WeakPolarHBondContact O-CG 3.13Å; L410-L414 PolarHBondContact O-N 3.44Å; S411-L414 PolarHBondContact O-N 3.26Å; L414-E417 PolarHBondContact O-N 3.34Å; L414-E418 PolarHBondContact O-N 3.49Å
415	Y	91.9	Very high	88.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-41.2	175.7	-71.6	-41.8	0	0	0	112.7	M167 P170 H171 L281 F284 M285 S411 F412 E417 E418 V419	M167-Y415 VanDerWaalsContact O-CE1 3.27Å; M167-Y415 WeakPolarHBondContact O-CE1 3.13Å; M167-Y415 PolarHBondContact O-OH 3.14Å; P170-Y415 HydrophobicContact CB-CD1 3.76Å; P170-Y415 HydrophobicContact CB-CE1 3.47Å; P170-Y415 VanDerWaalsContact CB-CE1 3.47Å; P170-Y415 HydrophobicContact CB-CE2 4.3Å; P170-Y415 HydrophobicContact CB-CG 4.34Å; P170-Y415 HydrophobicContact CG-CD1 3.71Å; P170-Y415 HydrophobicContact CG-CE1 3.46Å; P170-Y415 VanDerWaalsContact CG-CE1 3.46Å; H171-Y415 WeakPolarHBondContact CB-OH 3.45Å; H171-Y415 PolarHBondContact N-OH 3.33Å; L281-Y415 HydrophobicContact CD2-CD1 3.54Å; L281-Y415 HydrophobicContact CD2-CE1 3.9Å; L281-Y415 HydrophobicContact CD2-CG 4.49Å; F284-Y415 HydrophobicContact CB-CD2 4.27Å; F284-Y415 HydrophobicContact CB-CE1 4.49Å; F284-Y415 HydrophobicContact CB-CE2 3.84Å; M285-Y415 HydrophobicContact CG-CD2 4.42Å; M285-Y415 HydrophobicContact CG-CG 4.35Å; S411-Y415 WeakPolarHBondContact O-CB 3.25Å; S411-Y415 WeakPolarHBondContact O-CD2 3.37Å; S411-Y415 VanDerWaalsContact O-CG 3.27Å; S411-Y415 PolarHBondContact O-N 2.94Å; F412-Y415 PolarHBondContact O-N 3.26Å; Y415-E417 VanDerWaalsContact C-N 3.34Å; Y415-E417 PolarHBondContact O-N 3.15Å; Y415-E418 PolarHBondContact O-N 3.17Å; Y415-V419 WeakPolarHBondContact O-CB 3.47Å; Y415-V419 VanDerWaalsContact O-CG2 3.3Å; Y415-V419 WeakPolarHBondContact O-CG2 3.29Å; Y415-V419 PolarHBondContact O-N 3.01Å
416	Q	89.9	Confident	88.1	Confident	30 Å²	30	42.6 Å²	42.6	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-43.3	178.6	-177.2	-168.1	-23.7	0	0	111.9	M285 F412 L413 V419 G420	M285-Q416 HydrophobicContact CE-CB 3.9Å; M285-Q416 HydrophobicContact CE-CG 4.36Å; F412-Q416 HydrophobicContact CE1-CB 4.49Å; F412-Q416 WeakPolarHBondContact O-CB 3.26Å; F412-Q416 PolarHBondContact O-N 3.37Å; L413-Q416 PolarHBondContact O-N 2.98Å; Q416-V419 PolarHBondContact O-N 3.39Å; Q416-G420 PolarHBondContact O-N 2.99Å
417	E	87.9	Confident	87.4	Confident	124 Å²	124	37.3 Å²	37.3	58%	0.579	20%	0.196	S	C	*	.	H	α-helix	trans	-61	-48	177	-174.1	173.7	-173.2	0	0	111.2	L413 L414 Y415 V419 G420 H421	L413-E417 PolarHBondContact O-N 3.01Å; L413-E417 VanDerWaalsContact O-N 3.13Å; L414-E417 PolarHBondContact O-N 3.34Å; Y415-E417 VanDerWaalsContact C-N 3.34Å; Y415-E417 PolarHBondContact O-N 3.15Å; E417-V419 PolarHBondContact O-N 3.29Å; E417-G420 PolarHBondContact O-N 3.44Å; E417-H421 PolarHBondContact O-CD2 3.03Å; E417-H421 PolarHBondContact O-N 3Å
418	E	89.8	Confident	86.6	Confident	59 Å²	59	41.8 Å²	41.8	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-43.4	177	-77.1	-157.1	177.4	0	0	112.9	K277 L281 L414 Y415 G420 H421 H422	K277-E418 IonicContact NZ-OE2 3.39Å; K277-E418 PolarHBondContact NZ-OE2 2.86Å; L281-E418 HydrophobicContact CD1-CB 3.68Å; L414-E418 PolarHBondContact O-N 3.49Å; Y415-E418 PolarHBondContact O-N 3.17Å; E418-G420 VanDerWaalsContact C-N 3.35Å; E418-G420 PolarHBondContact O-N 3.16Å; E418-H421 PolarHBondContact O-N 2.94Å; E418-H422 PolarHBondContact O-CD2 3.32Å; E418-H422 PolarHBondContact O-N 3.49Å
419	V	89.4	Confident	85.7	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-45.4	178.3	169.7	0	0	0	0	110.7	L281 Y282 M285 Y415 Q416 E417 H421 H422 V423	L281-V419 HydrophobicContact CB-CG2 3.23Å; L281-V419 HydrophobicContact CD1-CG2 3.64Å; L281-V419 HydrophobicContact CG-CG2 4.08Å; Y282-V419 HydrophobicContact CD2-CG1 4.28Å; Y282-V419 HydrophobicContact CE1-CG1 4Å; Y282-V419 HydrophobicContact CE2-CG1 3.63Å; Y282-V419 VanDerWaalsContact CZ-CG1 3.44Å; Y282-V419 WeakPolarHBondContact OH-CG1 3.49Å; M285-V419 HydrophobicContact SD-CB 4.48Å; M285-V419 HydrophobicContact SD-CG2 3.86Å; Y415-V419 WeakPolarHBondContact O-CB 3.47Å; Y415-V419 VanDerWaalsContact O-CG2 3.3Å; Y415-V419 WeakPolarHBondContact O-CG2 3.29Å; Y415-V419 PolarHBondContact O-N 3.01Å; Q416-V419 PolarHBondContact O-N 3.39Å; E417-V419 PolarHBondContact O-N 3.29Å; V419-H421 VanDerWaalsContact C-N 3.28Å; V419-H421 PolarHBondContact O-N 2.81Å; V419-H422 PolarHBondContact O-N 2.92Å; V419-H422 VanDerWaalsContact O-N 3.15Å; V419-V423 HydrophobicContact CG1-CG2 3.92Å; V419-V423 WeakPolarHBondContact O-CG2 3.35Å; V419-V423 PolarHBondContact O-N 3.26Å
420	G	84.3	Confident	84.4	Confident	22 Å²	22	48.9 Å²	48.9	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-54.5	-45.9	178.4	0	0	0	0	0	112	Q416 E417 E418 Q424	Q416-G420 PolarHBondContact O-N 2.99Å; E417-G420 PolarHBondContact O-N 3.44Å; E418-G420 VanDerWaalsContact C-N 3.35Å; E418-G420 PolarHBondContact O-N 3.16Å; G420-Q424 WeakPolarHBondContact O-CB 3.47Å; G420-Q424 VanDerWaalsContact O-CG 3.31Å; G420-Q424 WeakPolarHBondContact O-CG 3.46Å; G420-Q424 PolarHBondContact O-N 3.22Å
421	H	85.8	Confident	83	Confident	104 Å²	104	47.9 Å²	47.9	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-45.3	175.8	-76.1	-61	0	0	0	113.2	E417 E418 V419 Q424 N425	E417-H421 PolarHBondContact O-CD2 3.03Å; E417-H421 PolarHBondContact O-N 3Å; E418-H421 PolarHBondContact O-N 2.94Å; V419-H421 VanDerWaalsContact C-N 3.28Å; V419-H421 PolarHBondContact O-N 2.81Å; H421-Q424 PolarHBondContact O-N 3.41Å; H421-N425 VanDerWaalsContact O-CG 3.24Å; H421-N425 PolarHBondContact O-N 2.94Å; H421-N425 PolarHBondContact O-ND2 3.19Å
422	H	88.2	Confident	81.6	Confident	17 Å²	17	51.8 Å²	51.8	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-32.8	-178.6	-74.7	-62.4	0	0	0	113.4	K277 V278 E418 V419 N425 L426	K277-H422 HydrophobicContact CB-CB 4.36Å; V278-H422 HydrophobicContact CG2-CB 3.71Å; E418-H422 PolarHBondContact O-CD2 3.32Å; E418-H422 PolarHBondContact O-N 3.49Å; V419-H422 PolarHBondContact O-N 2.92Å; V419-H422 VanDerWaalsContact O-N 3.15Å; H422-N425 PolarHBondContact O-N 3.43Å; H422-L426 PolarHBondContact O-N 3.23Å; H422-L426 VanDerWaalsContact O-N 3.09Å
423	V	84.6	Confident	80.2	Confident	21 Å²	21	53.5 Å²	53.5	13%	0.127	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-44.4	173.3	177.2	0	0	0	0	110.7	V278 Y282 L300 V419 N425 L426 V427	V278-V423 HydrophobicContact CG1-CG2 4.02Å; V278-V423 HydrophobicContact CG2-CG2 3.61Å; Y282-V423 HydrophobicContact CE2-CG2 4.46Å; L300-V423 HydrophobicContact CD2-CB 4.03Å; L300-V423 HydrophobicContact CD2-CG1 3.47Å; L300-V423 VanDerWaalsContact CD2-CG1 3.47Å; L300-V423 HydrophobicContact CD2-CG2 4.22Å; V419-V423 HydrophobicContact CG1-CG2 3.92Å; V419-V423 WeakPolarHBondContact O-CG2 3.35Å; V419-V423 PolarHBondContact O-N 3.26Å; V423-N425 VanDerWaalsContact C-N 3.29Å; V423-N425 PolarHBondContact O-N 3.23Å; V423-L426 PolarHBondContact O-N 3.04Å; V423-L426 VanDerWaalsContact O-N 3.13Å; V423-V427 HydrophobicContact CG1-CG2 4.45Å; V423-V427 WeakPolarHBondContact O-CG2 3.48Å; V423-V427 PolarHBondContact O-N 3.38Å
424	Q	79.6	Confident	78.7	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-55.8	-46.4	173.2	-76.9	174.7	6.6	0	0	111.1	G420 H421 L426 V427 Y428	G420-Q424 WeakPolarHBondContact O-CB 3.47Å; G420-Q424 VanDerWaalsContact O-CG 3.31Å; G420-Q424 WeakPolarHBondContact O-CG 3.46Å; G420-Q424 PolarHBondContact O-N 3.22Å; H421-Q424 PolarHBondContact O-N 3.41Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 3.46Å; Q424-V427 PolarHBondContact O-N 3.04Å; Q424-V427 VanDerWaalsContact O-N 3.14Å; Q424-Y428 HydrophobicContact CB-CD2 4.26Å; Q424-Y428 HydrophobicContact CB-CE2 4.15Å; Q424-Y428 WeakPolarHBondContact O-CD2 2.89Å; Q424-Y428 PolarHBondContact O-N 3.06Å
425	N	83.4	Confident	77	Confident	71 Å²	71	56.9 Å²	56.9	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-56.8	-44.1	176.4	-71.4	-18.4	0	0	0	112.1	I270 H421 H422 V423 V427 M429	I270-N425 HydrophobicContact CG2-CB 4.48Å; H421-N425 VanDerWaalsContact O-CG 3.24Å; H421-N425 PolarHBondContact O-N 2.94Å; H421-N425 PolarHBondContact O-ND2 3.19Å; H422-N425 PolarHBondContact O-N 3.43Å; V423-N425 VanDerWaalsContact C-N 3.29Å; V423-N425 PolarHBondContact O-N 3.23Å; N425-V427 PolarHBondContact O-N 3.19Å; N425-M429 WeakPolarHBondContact O-CB 3.49Å; N425-M429 PolarHBondContact O-N 3.42Å
426	L	80.8	Confident	75.5	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-40.3	176.9	-75	170.5	0	0	0	112.8	L271 L275 V278 H422 V423 Q424 Y430	L271-L426 HydrophobicContact CD2-CD2 3.7Å; L275-L426 HydrophobicContact CB-CD2 4.4Å; V278-L426 HydrophobicContact CB-CD1 4.33Å; V278-L426 HydrophobicContact CG2-CD1 3.86Å; H422-L426 PolarHBondContact O-N 3.23Å; H422-L426 VanDerWaalsContact O-N 3.09Å; V423-L426 PolarHBondContact O-N 3.04Å; V423-L426 VanDerWaalsContact O-N 3.13Å; Q424-L426 VanDerWaalsContact C-N 3.32Å; Q424-L426 PolarHBondContact O-N 3.46Å; L426-Y430 PolarHBondContact O-N 3.05Å
427	V	74.3	Confident	74.5	Confident	53 Å²	53	58.3 Å²	58.3	32%	0.321	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-51.6	179.7	173.8	0	0	0	0	110.9	V423 Q424 N425 M429 Y430	V423-V427 HydrophobicContact CG1-CG2 4.45Å; V423-V427 WeakPolarHBondContact O-CG2 3.48Å; V423-V427 PolarHBondContact O-N 3.38Å; Q424-V427 PolarHBondContact O-N 3.04Å; Q424-V427 VanDerWaalsContact O-N 3.14Å; N425-V427 PolarHBondContact O-N 3.19Å; V427-M429 VanDerWaalsContact C-N 3.31Å; V427-M429 PolarHBondContact O-N 3.35Å; V427-Y430 PolarHBondContact O-N 3.44Å
428	Y	70.2	Confident	73.7	Confident	94 Å²	94	53.3 Å²	53.3	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-42.1	179.5	-76	-61.9	0	0	0	112.1	E307 Q424 Y430 G431 D432	E307-Y428 WeakPolarHBondContact OE1-CD1 3.48Å; E307-Y428 WeakPolarHBondContact OE1-CE1 3.28Å; E307-Y428 VanDerWaalsContact OE1-CZ 3.29Å; Q424-Y428 HydrophobicContact CB-CD2 4.26Å; Q424-Y428 HydrophobicContact CB-CE2 4.15Å; Q424-Y428 WeakPolarHBondContact O-CD2 2.89Å; Q424-Y428 PolarHBondContact O-N 3.06Å; Y428-Y430 VanDerWaalsContact C-N 3.33Å; Y428-Y430 PolarHBondContact O-N 3.29Å; Y428-G431 WeakPolarHBondContact O-CA 3.39Å; Y428-G431 PolarHBondContact O-N 2.96Å; Y428-D432 PolarHBondContact O-N 3.29Å
429	M	70.3	Confident	73	Confident	8 Å²	8	51 Å²	51	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-31.4	-176.9	-178.2	171.8	-142.8	0	0	114.2	N267 I270 L271 N425 V427 G431 D432 M433	N267-M429 HydrophobicContact CB-CE 3.57Å; N267-M429 WeakPolarHBondContact O-CE 3.41Å; I270-M429 HydrophobicContact CB-CE 3.47Å; I270-M429 VanDerWaalsContact CB-CE 3.47Å; I270-M429 HydrophobicContact CB-SD 4.06Å; I270-M429 HydrophobicContact CG2-CE 3.72Å; I270-M429 HydrophobicContact CG2-SD 3.69Å; L271-M429 VanDerWaalsContact CA-SD 3.56Å; L271-M429 HydrophobicContact CB-CE 4.16Å; L271-M429 HydrophobicContact CB-SD 3.96Å; L271-M429 HydrophobicContact CD1-CE 3.61Å; L271-M429 HydrophobicContact CD1-CG 3.84Å; L271-M429 HydrophobicContact CD1-SD 3.61Å; L271-M429 HydrophobicContact CD2-CE 4.48Å; L271-M429 HydrophobicContact CD2-CG 3.96Å; L271-M429 HydrophobicContact CD2-SD 3.43Å; L271-M429 WeakPolarHBondContact CD2-SD 3.37Å; L271-M429 HydrophobicContact CG-CE 4.17Å; L271-M429 HydrophobicContact CG-CG 4.38Å; L271-M429 HydrophobicContact CG-SD 3.72Å; L271-M429 VanDerWaalsContact N-CE 3.31Å; L271-M429 PolarHBondContact N-SD 2.96Å; L271-M429 VanDerWaalsContact N-SD 3.38Å; N425-M429 WeakPolarHBondContact O-CB 3.49Å; N425-M429 PolarHBondContact O-N 3.42Å; V427-M429 VanDerWaalsContact C-N 3.31Å; V427-M429 PolarHBondContact O-N 3.35Å; M429-G431 VanDerWaalsContact C-N 3.26Å; M429-G431 PolarHBondContact O-N 3.48Å; M429-D432 PolarHBondContact O-N 2.9Å; M429-M433 VanDerWaalsContact O-CB 3.31Å; M429-M433 WeakPolarHBondContact O-CB 3.25Å; M429-M433 PolarHBondContact O-N 3Å
430	Y	64.4	Low	72.6	Confident	164 Å²	164	51 Å²	51	64%	0.643	28%	0.278	S	S	*	.	H	α-helix	trans	-63	-37.8	172.8	-172	-96.3	0	0	0	111.2	L426 V427 Y428 L434	L426-Y430 PolarHBondContact O-N 3.05Å; V427-Y430 PolarHBondContact O-N 3.44Å; Y428-Y430 VanDerWaalsContact C-N 3.33Å; Y428-Y430 PolarHBondContact O-N 3.29Å; Y430-L434 HydrophobicContact CD1-CD1 4.03Å; Y430-L434 HydrophobicContact CE1-CD1 3.69Å; Y430-L434 PolarHBondContact O-N 3.43Å
431	G	62.3	Low	72.5	Confident	39 Å²	39	52.2 Å²	52.2	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-47	172.5	0	0	0	0	0	112.7	Y428 M429 M433 L434 S435	Y428-G431 WeakPolarHBondContact O-CA 3.39Å; Y428-G431 PolarHBondContact O-N 2.96Å; M429-G431 VanDerWaalsContact C-N 3.26Å; M429-G431 PolarHBondContact O-N 3.48Å; G431-M433 VanDerWaalsContact C-N 3.31Å; G431-M433 PolarHBondContact O-N 3.26Å; G431-L434 PolarHBondContact O-N 3.49Å; G431-S435 PolarHBondContact O-N 3.45Å
432	D	61.7	Low	72.4	Confident	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-30.8	178.2	-74.4	-15.7	0	0	0	112.8	Y428 M429 L434 S435 N436	Y428-D432 PolarHBondContact O-N 3.29Å; M429-D432 PolarHBondContact O-N 2.9Å; D432-L434 VanDerWaalsContact C-N 3.32Å; D432-L434 PolarHBondContact O-N 3.04Å; D432-S435 WeakPolarHBondContact CA-OG 3.41Å; D432-S435 PolarHBondContact O-OG 3.17Å; D432-S435 VanDerWaalsContact O-OG 3.1Å; D432-N436 VanDerWaalsContact O-CB 3.32Å; D432-N436 WeakPolarHBondContact O-CB 3.47Å; D432-N436 VanDerWaalsContact O-CG 3.28Å; D432-N436 PolarHBondContact O-N 3.35Å; D432-N436 PolarHBondContact O-ND2 2.9Å
433	M	62.4	Low	72.4	Confident	36 Å²	36	51 Å²	51	18%	0.177	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-39.7	174.3	-96.5	-158.9	156.5	0	0	112	M138 W263 N267 L271 M429 G431 V437	M138-M433 HydrophobicContact CE-CE 4.49Å; M138-M433 HydrophobicContact CE-SD 4Å; W263-M433 HydrophobicContact CH2-CE 4.22Å; W263-M433 HydrophobicContact CZ2-CE 3.72Å; W263-M433 HydrophobicContact CZ2-CG 4.35Å; W263-M433 HydrophobicContact CZ2-SD 4.35Å; N267-M433 HydrophobicContact CB-CE 4.17Å; L271-M433 HydrophobicContact CD1-CE 3.11Å; L271-M433 HydrophobicContact CD1-CG 4.2Å; L271-M433 HydrophobicContact CD1-SD 3.49Å; L271-M433 WeakPolarHBondContact CD1-SD 3.32Å; L271-M433 HydrophobicContact CG-CE 4.44Å; M429-M433 VanDerWaalsContact O-CB 3.31Å; M429-M433 WeakPolarHBondContact O-CB 3.25Å; M429-M433 PolarHBondContact O-N 3Å; G431-M433 VanDerWaalsContact C-N 3.31Å; G431-M433 PolarHBondContact O-N 3.26Å; M433-V437 WeakPolarHBondContact O-CG2 3.41Å
434	L	59.6	Low	72.6	Confident	88 Å²	88	50.1 Å²	50.1	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-73.4	-38.2	-179.4	-78.2	159	0	0	0	112.2	Y430 G431 D432	Y430-L434 HydrophobicContact CD1-CD1 4.03Å; Y430-L434 HydrophobicContact CE1-CD1 3.69Å; Y430-L434 PolarHBondContact O-N 3.43Å; G431-L434 PolarHBondContact O-N 3.49Å; D432-L434 VanDerWaalsContact C-N 3.32Å; D432-L434 PolarHBondContact O-N 3.04Å
435	S	56.2	Low	73.1	Confident	76 Å²	76	50.6 Å²	50.6	53%	0.531	27%	0.274	S	S	.	.	H	α-helix	trans	-72	-32.9	-179.7	63.1	0	0	0	0	112.9	G431 D432	G431-S435 PolarHBondContact O-N 3.45Å; D432-S435 WeakPolarHBondContact CA-OG 3.41Å; D432-S435 PolarHBondContact O-OG 3.17Å; D432-S435 VanDerWaalsContact O-OG 3.1Å
436	N	61.5	Low	73.3	Confident	51 Å²	51	48.4 Å²	48.4	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-83.5	-10	-177.1	-71.7	-44.4	0	0	0	114.7	W263 D432 G438 A439	W263-N436 VanDerWaalsContact CD1-CB 3.47Å; W263-N436 HydrophobicContact CG-CB 4.43Å; D432-N436 VanDerWaalsContact O-CB 3.32Å; D432-N436 WeakPolarHBondContact O-CB 3.47Å; D432-N436 VanDerWaalsContact O-CG 3.28Å; D432-N436 PolarHBondContact O-N 3.35Å; D432-N436 PolarHBondContact O-ND2 2.9Å; N436-G438 PolarHBondContact O-N 3.13Å; N436-A439 PolarHBondContact O-N 3.48Å
437	V	68.4	Low	73.7	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-33.7	172.4	-177.4	0	0	0	0	111	N134 L137 M433 A439 A440 E441	N134-V437 HydrophobicContact CB-CG1 4.43Å; N134-V437 HydrophobicContact CB-CG2 4.48Å; L137-V437 HydrophobicContact CB-CG1 4.48Å; L137-V437 HydrophobicContact CD1-CG1 3.41Å; L137-V437 VanDerWaalsContact CD1-CG1 3.41Å; M433-V437 WeakPolarHBondContact O-CG2 3.41Å; V437-A439 VanDerWaalsContact C-N 3.27Å; V437-A439 PolarHBondContact O-N 3.19Å; V437-A440 PolarHBondContact O-N 3.38Å; V437-E441 WeakPolarHBondContact O-CB 3.47Å; V437-E441 PolarHBondContact O-N 2.89Å
438	G	70.2	Confident	74.5	Confident	20 Å²	20	49.3 Å²	49.3	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-26	-178.5	0	0	0	0	0	114.5	N436 K442	N436-G438 PolarHBondContact O-N 3.13Å; G438-K442 WeakPolarHBondContact O-CG 3.49Å; G438-K442 PolarHBondContact O-N 3.35Å
439	A	74.8	Confident	75.3	Confident	11 Å²	11	48.5 Å²	48.5	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-73.8	-44.4	173.9	0	0	0	0	0	111	L259 N436 V437 K442 V443	L259-A439 HydrophobicContact CB-CB 4.27Å; N436-A439 PolarHBondContact O-N 3.48Å; V437-A439 VanDerWaalsContact C-N 3.27Å; V437-A439 PolarHBondContact O-N 3.19Å; A439-K442 PolarHBondContact O-N 3.44Å; A439-V443 WeakPolarHBondContact O-CG2 3.31Å; A439-V443 PolarHBondContact O-N 3.47Å
440	A	81.4	Confident	76.1	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.7	0	0	0	0	0	111.9	L141 M260 V437 K442 V443 F444	L141-A440 HydrophobicContact CD1-CB 3.96Å; M260-A440 HydrophobicContact CE-CB 4.38Å; M260-A440 HydrophobicContact CG-CB 4.04Å; M260-A440 HydrophobicContact SD-CB 4.37Å; V437-A440 PolarHBondContact O-N 3.38Å; A440-K442 VanDerWaalsContact C-N 3.31Å; A440-K442 PolarHBondContact O-N 2.91Å; A440-V443 PolarHBondContact O-N 3.35Å; A440-F444 HydrophobicContact CB-CD2 4.47Å; A440-F444 HydrophobicContact CB-CE2 4.4Å; A440-F444 WeakPolarHBondContact O-CB 3.46Å; A440-F444 WeakPolarHBondContact O-CD2 3.29Å; A440-F444 PolarHBondContact O-N 3.33Å
441	E	83.3	Confident	77.1	Confident	46 Å²	46	53.3 Å²	53.3	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-45.8	175.6	-178.2	175.8	-162.1	0	0	111.5	Q131 L137 V437 F444 S445	Q131-E441 WeakPolarHBondContact CA-OE1 3.3Å; L137-E441 HydrophobicContact CD1-CB 4.08Å; L137-E441 HydrophobicContact CD1-CG 4.48Å; V437-E441 WeakPolarHBondContact O-CB 3.47Å; V437-E441 PolarHBondContact O-N 2.89Å; E441-F444 PolarHBondContact O-N 2.99Å; E441-S445 PolarHBondContact O-N 3.48Å
442	K	82.9	Confident	78	Confident	96 Å²	96	58.1 Å²	58.1	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-47.3	177.1	-68.3	175	-158	175.9	0	111.6	G438 A439 A440 F444 S445 Y446	G438-K442 WeakPolarHBondContact O-CG 3.49Å; G438-K442 PolarHBondContact O-N 3.35Å; A439-K442 PolarHBondContact O-N 3.44Å; A440-K442 VanDerWaalsContact C-N 3.31Å; A440-K442 PolarHBondContact O-N 2.91Å; K442-F444 VanDerWaalsContact C-N 3.28Å; K442-F444 PolarHBondContact O-N 3.26Å; K442-S445 PolarHBondContact O-N 3.32Å; K442-S445 VanDerWaalsContact O-N 3.15Å; K442-S445 PolarHBondContact O-OG 2.94Å; K442-Y446 WeakPolarHBondContact O-CD2 3.06Å; K442-Y446 PolarHBondContact O-N 3.32Å
443	V	88.4	Confident	78.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-42.2	178	172.7	0	0	0	0	111.1	I225 L229 D256 T257 M260 A439 A440 Y446 L447	I225-V443 HydrophobicContact CG2-CG1 3.92Å; L229-V443 HydrophobicContact CD2-CG1 4.36Å; D256-V443 HydrophobicContact CB-CG2 3.8Å; T257-V443 HydrophobicContact CG2-CG2 4.35Å; M260-V443 HydrophobicContact CE-CG1 4.38Å; M260-V443 HydrophobicContact SD-CB 3.67Å; M260-V443 HydrophobicContact SD-CG1 3.56Å; M260-V443 VanDerWaalsContact SD-CG1 3.56Å; M260-V443 HydrophobicContact SD-CG2 4.09Å; A439-V443 WeakPolarHBondContact O-CG2 3.31Å; A439-V443 PolarHBondContact O-N 3.47Å; A440-V443 PolarHBondContact O-N 3.35Å; V443-Y446 PolarHBondContact O-N 3.26Å; V443-L447 HydrophobicContact CG1-CD1 3.88Å; V443-L447 HydrophobicContact CG1-CG 4.48Å; V443-L447 WeakPolarHBondContact O-CG 3.28Å; V443-L447 PolarHBondContact O-N 3.46Å
444	F	89	Confident	79.5	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-37.4	175.8	-73.8	-53	0	0	0	112.8	L137 R140 L141 M260 A440 E441 K442 Y446 L447 D448	L137-F444 HydrophobicContact CD2-CD2 3.55Å; L137-F444 HydrophobicContact CD2-CE2 4.12Å; L137-F444 HydrophobicContact CD2-CG 4.46Å; R140-F444 HydrophobicContact CB-CE2 4.46Å; R140-F444 HydrophobicContact CB-CZ 4.19Å; R140-F444 HydrophobicContact CG-CE1 3.93Å; R140-F444 HydrophobicContact CG-CE2 4.38Å; R140-F444 HydrophobicContact CG-CZ 3.77Å; L141-F444 HydrophobicContact CD2-CE2 4.35Å; L141-F444 HydrophobicContact CD2-CZ 4.29Å; L141-F444 HydrophobicContact CG-CE2 3.92Å; L141-F444 HydrophobicContact CG-CZ 4.07Å; M260-F444 HydrophobicContact CE-CD1 4.26Å; M260-F444 HydrophobicContact CE-CD2 4.06Å; M260-F444 HydrophobicContact CE-CE1 3.66Å; M260-F444 HydrophobicContact CE-CE2 3.46Å; M260-F444 VanDerWaalsContact CE-CE2 3.46Å; M260-F444 HydrophobicContact CE-CG 4.45Å; M260-F444 HydrophobicContact CE-CZ 3.22Å; A440-F444 HydrophobicContact CB-CD2 4.47Å; A440-F444 HydrophobicContact CB-CE2 4.4Å; A440-F444 WeakPolarHBondContact O-CB 3.46Å; A440-F444 WeakPolarHBondContact O-CD2 3.29Å; A440-F444 PolarHBondContact O-N 3.33Å; E441-F444 PolarHBondContact O-N 2.99Å; K442-F444 VanDerWaalsContact C-N 3.28Å; K442-F444 PolarHBondContact O-N 3.26Å; F444-Y446 VanDerWaalsContact C-N 3.26Å; F444-Y446 PolarHBondContact O-N 2.89Å; F444-L447 HydrophobicContact CD1-CD1 4.01Å; F444-L447 HydrophobicContact CE1-CD1 4.42Å; F444-L447 PolarHBondContact O-N 3.43Å; F444-D448 WeakPolarHBondContact O-CB 3.44Å; F444-D448 PolarHBondContact O-N 3.42Å
445	S	89	Confident	80.4	Confident	67 Å²	67	60.9 Å²	60.9	47%	0.469	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-35.8	177.3	76.6	0	0	0	0	112.4	E441 K442 R449	E441-S445 PolarHBondContact O-N 3.48Å; K442-S445 PolarHBondContact O-N 3.32Å; K442-S445 VanDerWaalsContact O-N 3.15Å; K442-S445 PolarHBondContact O-OG 2.94Å; S445-R449 WeakPolarHBondContact O-CB 3.35Å; S445-R449 PolarHBondContact O-N 3.33Å; S445-R449 VanDerWaalsContact O-N 3.16Å
446	Y	88.3	Confident	81.5	Confident	26 Å²	26	61.9 Å²	61.9	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-75.1	-35.3	171.9	-70.1	-82.8	0	0	0	113.3	S232 L233 F240 E248 L249 R252 K442 V443 F444 D448	S232-Y446 PolarHBondContact OG-O 3.48Å; L233-Y446 HydrophobicContact CD2-CD1 3.93Å; L233-Y446 HydrophobicContact CD2-CG 4.48Å; F240-Y446 AromaticContact CE2-CD1 3.75Å; F240-Y446 HydrophobicContact CE2-CD1 3.75Å; F240-Y446 AromaticContact CE2-CE1 3.5Å; F240-Y446 HydrophobicContact CE2-CE1 3.5Å; F240-Y446 VanDerWaalsContact CE2-CE1 3.5Å; F240-Y446 AromaticContact CZ-CD1 3.45Å; F240-Y446 HydrophobicContact CZ-CD1 3.45Å; F240-Y446 VanDerWaalsContact CZ-CD1 3.45Å; F240-Y446 AromaticContact CZ-CE1 3.35Å; F240-Y446 HydrophobicContact CZ-CE1 3.35Å; E248-Y446 PolarHBondContact OE1-OH 2.67Å; L249-Y446 HydrophobicContact CD2-CE1 4.25Å; R252-Y446 HydrophobicContact CG-CD2 4.22Å; R252-Y446 HydrophobicContact CG-CE2 3.72Å; K442-Y446 WeakPolarHBondContact O-CD2 3.06Å; K442-Y446 PolarHBondContact O-N 3.32Å; V443-Y446 PolarHBondContact O-N 3.26Å; F444-Y446 VanDerWaalsContact C-N 3.26Å; F444-Y446 PolarHBondContact O-N 2.89Å; Y446-D448 VanDerWaalsContact C-N 3.35Å
447	L	89.8	Confident	82.7	Confident	33 Å²	33	60.2 Å²	60.2	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-35.4	176.9	-77.9	168.2	0	0	0	112.5	Q228 L229 V443 F444	Q228-L447 HydrophobicContact CB-CD2 3.98Å; L229-L447 HydrophobicContact CB-CD2 4.2Å; L229-L447 HydrophobicContact CD1-CD2 4.4Å; L229-L447 HydrophobicContact CD1-CG 4.21Å; V443-L447 HydrophobicContact CG1-CD1 3.88Å; V443-L447 HydrophobicContact CG1-CG 4.48Å; V443-L447 WeakPolarHBondContact O-CG 3.28Å; V443-L447 PolarHBondContact O-N 3.46Å; F444-L447 HydrophobicContact CD1-CD1 4.01Å; F444-L447 HydrophobicContact CE1-CD1 4.42Å; F444-L447 PolarHBondContact O-N 3.43Å
448	D	89.8	Confident	83.9	Confident	78 Å²	78	66.3 Å²	66.3	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-91.2	-13.8	-177.6	-67.1	-52.2	0	0	0	114.3	R140 F444 Y446 R450	R140-D448 IonicContact CZ-OD1 3.96Å; R140-D448 IonicContact CZ-OD2 2.78Å; R140-D448 IonicContact NH1-OD1 3.66Å; R140-D448 IonicContact NH1-OD2 3.12Å; R140-D448 PolarHBondContact NH1-OD2 2.94Å; R140-D448 IonicContact NH2-OD1 3.21Å; R140-D448 PolarHBondContact NH2-OD1 2.87Å; R140-D448 IonicContact NH2-OD2 3.92Å; R140-D448 PolarHBondContact NH2-OD2 3.1Å; F444-D448 WeakPolarHBondContact O-CB 3.44Å; F444-D448 PolarHBondContact O-N 3.42Å; Y446-D448 VanDerWaalsContact C-N 3.35Å; D448-R450 PolarHBondContact O-N 3.2Å; D448-R450 VanDerWaalsContact O-N 3.08Å
449	R	88.6	Confident	85.1	Confident	77 Å²	77	67.6 Å²	67.6	29%	0.291	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-57.4	118.8	177.4	-170.2	177.5	-175.5	-90.7	4.2	108.8	Q236 D237 F240 S445	Q236-R449 PolarHBondContact NE2-O 3.41Å; D237-R449 IonicContact OD1-CZ 3.48Å; D237-R449 IonicContact OD1-NH1 3.2Å; D237-R449 PolarHBondContact OD1-NH1 3.05Å; D237-R449 IonicContact OD1-NH2 3.1Å; D237-R449 PolarHBondContact OD1-NH2 3.24Å; D237-R449 IonicContact OD2-NH2 3.49Å; F240-R449 VanDerWaalsContact CB-NH1 3.27Å; S445-R449 WeakPolarHBondContact O-CB 3.35Å; S445-R449 PolarHBondContact O-N 3.33Å; S445-R449 VanDerWaalsContact O-N 3.16Å
450	R	86.6	Confident	85.9	Confident	225 Å²	225	69.7 Å²	69.7	85%	0.849	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-86.4	130.8	171	-65	-171.7	178.8	-165.1	-0.7	108.4	D448	D448-R450 PolarHBondContact O-N 3.2Å; D448-R450 VanDerWaalsContact O-N 3.08Å
451	P	85.4	Confident	86.5	Confident	48 Å²	48	71 Å²	71	31%	0.312	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60	143.3	175	24.6	-32.7	0	0	0	110	R235 L453	R235-P451 WeakPolarHBondContact O-CB 3.5Å; R235-P451 WeakPolarHBondContact O-CG 3.21Å; P451-L453 HydrophobicContact CB-CB 4.37Å; P451-L453 HydrophobicContact CB-CD1 4.2Å; P451-L453 HydrophobicContact CB-CG 4.45Å; P451-L453 PolarHBondContact O-N 3.5Å
452	N	81.7	Confident	86.8	Confident	141 Å²	141	75.3 Å²	75.3	75%	0.754	42%	0.415	S	S	*	.	S	Bend	trans	-82	57.2	170.6	-168	25.5	0	0	0	110.6	D237	D237-N452 PolarHBondContact OD1-N 3.13Å
453	L	76.7	Confident	87	Confident	66 Å²	66	81.5 Å²	81.5	35%	0.346	44%	0.435	S	S	.	.	S	Bend	trans	-124.7	142.4	177.3	-72.7	163.8	0	0	0	108.3	D237 P451	D237-L453 HydrophobicContact CB-CD1 4.13Å; D237-L453 HydrophobicContact CB-CG 4.09Å; P451-L453 HydrophobicContact CB-CB 4.37Å; P451-L453 HydrophobicContact CB-CD1 4.2Å; P451-L453 HydrophobicContact CB-CG 4.45Å; P451-L453 PolarHBondContact O-N 3.5Å
454	P	77.4	Confident	87.2	Confident	57 Å²	57	81.9 Å²	81.9	37%	0.37	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-59.5	152.3	170.7	25.7	-32	0	0	0	110	Q521 V535	P454-Q521 HydrophobicContact CG-CG 4.13Å; P454-V535 HydrophobicContact CB-CG1 3.5Å; P454-V535 HydrophobicContact CG-CB 4.41Å; P454-V535 HydrophobicContact CG-CG1 3.49Å; P454-V535 VanDerWaalsContact CG-CG1 3.49Å; P454-V535 HydrophobicContact CG-CG2 4.05Å
455	N	79.8	Confident	87.3	Confident	146 Å²	146	88.1 Å²	88.1	78%	0.781	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-56.7	139.9	174.2	-70.8	-34.1	0	0	0	109.2	G457	N455-G457 PolarHBondContact O-N 3.27Å
456	P	78	Confident	87.4	Confident	96 Å²	96	84.9 Å²	84.9	62%	0.623	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-58	133.1	178.6	23.7	-32.2	0	0	0	109.5
457	G	88.3	Confident	87.8	Confident	16 Å²	16	88.7 Å²	88.7	17%	0.165	46%	0.458	C	S	.	.			trans	-69.9	176.8	172.2	0	0	0	0	0	112	N455 V535 Q536 Y537 D538	N455-G457 PolarHBondContact O-N 3.27Å; G457-V535 PolarHBondContact N-O 3.28Å; G457-Q536 CarbonylContact C-O 3.5Å; G457-Q536 WeakPolarHBondContact CA-O 3.4Å; G457-Y537 PolarHBondContact N-O 2.96Å; G457-D538 VanDerWaalsContact O-CA 3.31Å; G457-D538 WeakPolarHBondContact O-CA 3.47Å
458	T	93.6	Very high	88.2	Confident	136 Å²	136	87.3 Å²	87.3	83%	0.834	45%	0.451	S	S	*	.			trans	-117.4	0	-177.3	55.3	0	0	0	0	113.1	A460 Q536	T458-A460 PolarHBondContact O-N 2.94Å; T458-Q536 PolarHBondContact N-O 3.12Å; T458-Q536 VanDerWaalsContact N-O 3.16Å
459	L	93.6	Very high	88.5	Confident	48 Å²	48	85 Å²	85	25%	0.251	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-76.7	119	-173	-151.8	164.9	0	0	0	109.7	P461 E532 Q536 Y537 D538	L459-P461 HydrophobicContact CD2-CB 4.31Å; L459-P461 VanDerWaalsContact CD2-CD 3.42Å; L459-P461 HydrophobicContact CD2-CG 3.76Å; L459-E532 HydrophobicContact CD1-CB 4.21Å; L459-E532 HydrophobicContact CD1-CG 3.92Å; L459-Q536 WeakPolarHBondContact CB-O 3.27Å; L459-Q536 HydrophobicContact CD1-CB 4.44Å; L459-Q536 PolarHBondContact N-O 3.45Å; L459-Y537 HydrophobicContact CB-CD1 4.43Å; L459-Y537 HydrophobicContact CD2-CD1 4.05Å; L459-Y537 HydrophobicContact CD2-CE1 3.7Å; L459-Y537 WeakPolarHBondContact O-CA 3.35Å; L459-D538 PolarHBondContact O-N 3.24Å
460	A	93.6	Very high	88.9	Confident	55 Å²	55	81.4 Å²	81.4	46%	0.455	42%	0.424	S	S	.	.			trans	-144	74	179.8	0	0	0	0	0	109.4	T458 D538 Y541	T458-A460 PolarHBondContact O-N 2.94Å; A460-D538 HydrophobicContact CB-CB 4.48Å; A460-Y541 HydrophobicContact CB-CD1 4.43Å; A460-Y541 HydrophobicContact CB-CD2 3.71Å; A460-Y541 HydrophobicContact CB-CE2 4.33Å; A460-Y541 HydrophobicContact CB-CG 3.75Å
461	P	93.6	Very high	89.3	Confident	31 Å²	31	74.5 Å²	74.5	20%	0.201	40%	0.402	C	S	.	.			trans	-70.7	145.6	-173.6	29	-26.4	0	0	0	110.1	L459 R463 L464 Y537 Y541	L459-P461 HydrophobicContact CD2-CB 4.31Å; L459-P461 VanDerWaalsContact CD2-CD 3.42Å; L459-P461 HydrophobicContact CD2-CG 3.76Å; P461-R463 PolarHBondContact O-N 3.37Å; P461-L464 HydrophobicContact CG-CD1 4.14Å; P461-Y537 HydrophobicContact CG-CE1 4.12Å; P461-Y541 VanDerWaalsContact CD-CZ 3.47Å; P461-Y541 WeakPolarHBondContact CD-OH 3.43Å; P461-Y541 HydrophobicContact CG-CE1 4.33Å; P461-Y541 VanDerWaalsContact O-CE2 3.24Å; P461-Y541 WeakPolarHBondContact O-CE2 3.29Å; P461-Y541 VanDerWaalsContact O-CZ 3.23Å; P461-Y541 PolarHBondContact O-OH 3.45Å
462	P	88.4	Confident	89.8	Confident	136 Å²	136	77 Å²	77	88%	0.883	41%	0.412	S	S	*	.	S	Bend	trans	-68	-23.2	-177.5	27.4	-34.9	0	0	0	112.7
463	R	87.7	Confident	90.4	Very high	226 Å²	226	70.2 Å²	70.2	85%	0.853	38%	0.376	S	S	*	.			trans	-131.5	143.4	175.4	-68	-174.9	178.3	-177.9	-1.3	109.1	P461	P461-R463 PolarHBondContact O-N 3.37Å
464	L	92.4	Very high	91.3	Very high	8 Å²	8	68.8 Å²	68.8	4%	0.042	37%	0.372	C	S	.	.			trans	-138.5	129	-179.2	-166.6	114.3	0	0	0	106.3	P461 L529 D530 Y537 Y541 Q545 R626	P461-L464 HydrophobicContact CG-CD1 4.14Å; L464-L529 HydrophobicContact CD1-CD2 3.84Å; L464-L529 HydrophobicContact CD1-CG 4.15Å; L464-L529 HydrophobicContact CD2-CD1 4.17Å; L464-L529 HydrophobicContact CD2-CD2 4.11Å; L464-L529 HydrophobicContact CD2-CG 4.3Å; L464-D530 WeakPolarHBondContact CA-OD2 3.42Å; L464-D530 WeakPolarHBondContact CG-OD2 3.34Å; L464-Y537 HydrophobicContact CD1-CE1 3.86Å; L464-Y541 HydrophobicContact CD1-CE1 3.99Å; L464-Q545 HydrophobicContact CD2-CB 4.23Å; L464-R626 HydrophobicContact CB-CG 4.23Å; L464-R626 HydrophobicContact CD2-CB 3.61Å; L464-R626 HydrophobicContact CD2-CG 4.01Å; L464-R626 WeakPolarHBondContact O-CD 3.35Å; L464-R626 PolarHBondContact O-NE 3.4Å
465	E	91.1	Very high	92.1	Very high	134 Å²	134	66.3 Å²	66.3	63%	0.626	36%	0.355	S	S	*	.			trans	-77.2	-31.8	177.8	-63.4	-175.9	176	0	0	110.4	P495 D530	E465-P495 HydrophobicContact CB-CG 4.23Å; E465-D530 PolarHBondContact N-OD2 2.94Å
466	G	92.4	Very high	92.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.			trans	86.5	24.5	177.7	0	0	0	0	0	113.3	D530 T655	G466-D530 PolarHBondContact N-OD1 3.24Å; G466-D530 PolarHBondContact N-OD2 2.86Å; G466-T655 WeakPolarHBondContact O-CB 3.26Å; G466-T655 PolarHBondContact O-OG1 3.14Å
467	R	96.1	Very high	93.3	Very high	105 Å²	105	58.2 Å²	58.2	40%	0.396	30%	0.304	S	S	.	.			trans	-78.8	124.4	173.3	-179.4	178.3	173.3	170.1	-1.9	109.3	E469 T492 L493 P495 L529 D530	R467-E469 HydrophobicContact CG-CG 4.49Å; R467-E469 IonicContact CZ-OE1 3.86Å; R467-E469 IonicContact NE-OE1 2.9Å; R467-E469 PolarHBondContact NE-OE1 2.99Å; R467-E469 IonicContact NH2-OE1 3.97Å; R467-E469 PolarHBondContact NH2-OE1 3.49Å; R467-T492 HydrophobicContact CG-CG2 4.22Å; R467-L493 WeakPolarHBondContact CA-O 3.36Å; R467-P495 HydrophobicContact CB-CG 3.99Å; R467-L529 CarbonylContact O-C 3.49Å; R467-L529 WeakPolarHBondContact O-CA 3.39Å; R467-D530 WeakPolarHBondContact CB-OD1 3.02Å; R467-D530 PolarHBondContact N-OD1 3.43Å; R467-D530 PolarHBondContact O-N 3.46Å
468	V	96.9	Very high	93.2	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.9	-178.7	177.8	0	0	0	0	109.6	F470 T492 L493 L516 L527 L528 L529 V627	V468-F470 HydrophobicContact CG1-CD2 4.31Å; V468-F470 HydrophobicContact CG1-CE2 4.06Å; V468-T492 CarbonylContact O-C 3.54Å; V468-T492 VanDerWaalsContact O-CA 3.28Å; V468-T492 WeakPolarHBondContact O-CA 3.39Å; V468-T492 WeakPolarHBondContact O-CG2 3.35Å; V468-L493 HydrophobicContact CB-CB 3.98Å; V468-L493 HydrophobicContact CB-CD1 4.02Å; V468-L493 HydrophobicContact CB-CG 4.13Å; V468-L493 HydrophobicContact CG1-CD1 4.22Å; V468-L493 HydrophobicContact CG2-CD1 4.3Å; V468-L493 PolarHBondContact N-O 3.26Å; V468-L493 PolarHBondContact O-N 3.38Å; V468-L516 HydrophobicContact CB-CD2 4.45Å; V468-L516 HydrophobicContact CG1-CD2 3.29Å; V468-L516 HydrophobicContact CG2-CD2 4.44Å; V468-L527 HydrophobicContact CG1-CD1 4.05Å; V468-L528 CarbonylContact C-O 3.43Å; V468-L528 WeakPolarHBondContact CA-O 3.26Å; V468-L529 HydrophobicContact CG2-CD1 3.79Å; V468-V627 HydrophobicContact CG2-CG1 4.31Å; V468-V627 HydrophobicContact CG2-CG2 4.05Å
469	E	96.8	Very high	92.7	Very high	29 Å²	29	56.9 Å²	56.9	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	179.6	-56.9	-173.1	167.4	0	0	111.9	R467 Q471 T492 L527 L528	R467-E469 HydrophobicContact CG-CG 4.49Å; R467-E469 IonicContact CZ-OE1 3.86Å; R467-E469 IonicContact NE-OE1 2.9Å; R467-E469 PolarHBondContact NE-OE1 2.99Å; R467-E469 IonicContact NH2-OE1 3.97Å; R467-E469 PolarHBondContact NH2-OE1 3.49Å; E469-Q471 PolarHBondContact OE2-NE2 3.49Å; E469-Q471 VanDerWaalsContact OE2-NE2 3.14Å; E469-T492 HydrophobicContact CG-CG2 3.98Å; E469-L527 WeakPolarHBondContact O-CA 3.43Å; E469-L527 WeakPolarHBondContact O-CD1 3.35Å; E469-L528 HydrophobicContact CB-CB 4.27Å; E469-L528 PolarHBondContact N-O 3.15Å; E469-L528 PolarHBondContact O-N 3.49Å
470	F	96.6	Very high	92.3	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124	164.3	-75.1	-107	0	0	0	108.2	V468 V473 T490 F491 V512 L516 L527	V468-F470 HydrophobicContact CG1-CD2 4.31Å; V468-F470 HydrophobicContact CG1-CE2 4.06Å; F470-V473 HydrophobicContact CB-CG2 4.01Å; F470-V473 HydrophobicContact CD1-CB 3.84Å; F470-V473 HydrophobicContact CD1-CG1 4.1Å; F470-V473 HydrophobicContact CD1-CG2 3.68Å; F470-V473 HydrophobicContact CE1-CG1 4.45Å; F470-V473 HydrophobicContact CG-CG2 4.24Å; F470-T490 VanDerWaalsContact O-CA 3.28Å; F470-T490 WeakPolarHBondContact O-CA 3.44Å; F470-F491 HydrophobicContact CB-CD1 3.83Å; F470-F491 HydrophobicContact CB-CE1 3.82Å; F470-F491 HydrophobicContact CB-CG 4.42Å; F470-F491 HydrophobicContact CB-CZ 4.4Å; F470-F491 AromaticContact CD1-CE1 3.86Å; F470-F491 HydrophobicContact CD1-CE1 3.86Å; F470-F491 HydrophobicContact CD1-CZ 4.18Å; F470-F491 HydrophobicContact CD2-CD1 4.12Å; F470-F491 HydrophobicContact CD2-CD2 4.19Å; F470-F491 AromaticContact CD2-CE1 3.49Å; F470-F491 HydrophobicContact CD2-CE1 3.49Å; F470-F491 VanDerWaalsContact CD2-CE1 3.49Å; F470-F491 AromaticContact CD2-CE2 3.56Å; F470-F491 HydrophobicContact CD2-CE2 3.56Å; F470-F491 HydrophobicContact CD2-CG 4.46Å; F470-F491 AromaticContact CD2-CZ 3.18Å; F470-F491 HydrophobicContact CD2-CZ 3.18Å; F470-F491 HydrophobicContact CE1-CE1 4.31Å; F470-F491 HydrophobicContact CE1-CZ 4.28Å; F470-F491 AromaticContact CE2-CE1 3.93Å; F470-F491 HydrophobicContact CE2-CE1 3.93Å; F470-F491 AromaticContact CE2-CE2 3.75Å; F470-F491 HydrophobicContact CE2-CE2 3.75Å; F470-F491 AromaticContact CE2-CZ 3.26Å; F470-F491 HydrophobicContact CE2-CZ 3.26Å; F470-F491 AromaticContact CG-CD1 3.99Å; F470-F491 HydrophobicContact CG-CD1 3.99Å; F470-F491 AromaticContact CG-CE1 3.45Å; F470-F491 HydrophobicContact CG-CE1 3.45Å; F470-F491 VanDerWaalsContact CG-CE1 3.45Å; F470-F491 HydrophobicContact CG-CE2 4.35Å; F470-F491 AromaticContact CG-CZ 3.68Å; F470-F491 HydrophobicContact CG-CZ 3.68Å; F470-F491 HydrophobicContact CZ-CE1 4.34Å; F470-F491 AromaticContact CZ-CZ 3.86Å; F470-F491 HydrophobicContact CZ-CZ 3.86Å; F470-F491 PolarHBondContact N-O 3.3Å; F470-F491 PolarHBondContact O-N 3.02Å; F470-V512 HydrophobicContact CE1-CG1 4.21Å; F470-V512 HydrophobicContact CE2-CG1 4.27Å; F470-V512 HydrophobicContact CZ-CG1 3.66Å; F470-L516 HydrophobicContact CE2-CD1 4.23Å; F470-L516 HydrophobicContact CE2-CD2 3.69Å; F470-L516 HydrophobicContact CE2-CG 4Å; F470-L516 HydrophobicContact CZ-CD1 4.23Å; F470-L516 HydrophobicContact CZ-CD2 3.88Å; F470-L516 HydrophobicContact CZ-CG 3.78Å; F470-L527 HydrophobicContact CB-CD1 4.44Å; F470-L527 HydrophobicContact CD1-CD1 3.75Å; F470-L527 HydrophobicContact CD2-CD1 3.39Å; F470-L527 HydrophobicContact CE1-CD1 3.71Å; F470-L527 HydrophobicContact CE1-CD2 4.07Å; F470-L527 HydrophobicContact CE2-CD1 3.38Å; F470-L527 HydrophobicContact CG-CD1 3.58Å; F470-L527 HydrophobicContact CZ-CD1 3.52Å; F470-L527 HydrophobicContact CZ-CD2 3.96Å; F470-L527 HydrophobicContact CZ-CG 4.44Å
471	Q	95.8	Very high	91.9	Very high	80 Å²	80	63.9 Å²	63.9	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	103.5	177.9	-61.4	-176.2	-1.8	0	0	109.6	E469 V473 G525 Q526 L528	E469-Q471 PolarHBondContact OE2-NE2 3.49Å; E469-Q471 VanDerWaalsContact OE2-NE2 3.14Å; Q471-V473 PolarHBondContact O-N 3.26Å; Q471-G525 CarbonylContact O-C 3.51Å; Q471-G525 WeakPolarHBondContact O-CA 3.22Å; Q471-Q526 PolarHBondContact N-O 3.22Å; Q471-Q526 PolarHBondContact O-N 3.01Å; Q471-L528 VanDerWaalsContact NE2-CD1 3.25Å
472	D	94.8	Very high	91.7	Very high	100 Å²	100	70.6 Å²	70.6	54%	0.535	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.9	40.1	179.7	-166.2	32.8	0	0	0	114.1	S474 G488 L489 T490 G525	D472-S474 PolarHBondContact O-N 3.3Å; D472-G488 WeakPolarHBondContact OD1-CA 3.3Å; D472-L489 PolarHBondContact N-O 2.94Å; D472-T490 PolarHBondContact N-OG1 3.03Å; D472-G525 VanDerWaalsContact O-CA 3.27Å; D472-G525 WeakPolarHBondContact O-CA 3.49Å; D472-G525 PolarHBondContact O-N 3.44Å
473	V	95.7	Very high	91.7	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.3	-170.7	177	0	0	0	0	111.3	F470 Q471 G488 L489 L515 P522 G524 Q526	F470-V473 HydrophobicContact CB-CG2 4.01Å; F470-V473 HydrophobicContact CD1-CB 3.84Å; F470-V473 HydrophobicContact CD1-CG1 4.1Å; F470-V473 HydrophobicContact CD1-CG2 3.68Å; F470-V473 HydrophobicContact CE1-CG1 4.45Å; F470-V473 HydrophobicContact CG-CG2 4.24Å; Q471-V473 PolarHBondContact O-N 3.26Å; V473-G488 PolarHBondContact O-N 3.05Å; V473-L489 HydrophobicContact CB-CB 4.49Å; V473-L489 PolarHBondContact N-O 3.03Å; V473-L489 PolarHBondContact O-N 3.33Å; V473-L515 HydrophobicContact CG1-CD1 4.12Å; V473-P522 HydrophobicContact CG1-CB 3.82Å; V473-G524 WeakPolarHBondContact CA-O 3.29Å; V473-Q526 WeakPolarHBondContact CG2-O 3.47Å
474	S	94.9	Very high	91.8	Very high	36 Å²	36	63.7 Å²	63.7	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144	173.3	-61.9	0	0	0	0	110.4	D472 L486 G488 T523 G524	D472-S474 PolarHBondContact O-N 3.3Å; S474-L486 WeakPolarHBondContact CA-O 3.15Å; S474-G488 PolarHBondContact OG-N 3.02Å; S474-T523 PolarHBondContact O-N 3.03Å; S474-T523 PolarHBondContact O-OG1 3Å; S474-T523 VanDerWaalsContact O-OG1 3.08Å; S474-G524 PolarHBondContact N-O 3.35Å; S474-G524 PolarHBondContact O-N 3.03Å
475	F	94.7	Very high	91.8	Very high	4 Å²	4	65 Å²	65	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	135.8	-178	-177.1	-101.2	0	0	0	113.3	Y477 V485 L486 T511 L515 Y520 Q521 T523	F475-Y477 AromaticContact CE1-CD1 3.83Å; F475-Y477 HydrophobicContact CE1-CD1 3.83Å; F475-Y477 AromaticContact CE1-CD2 3.88Å; F475-Y477 HydrophobicContact CE1-CD2 3.88Å; F475-Y477 AromaticContact CE1-CE1 3.88Å; F475-Y477 HydrophobicContact CE1-CE1 3.88Å; F475-Y477 AromaticContact CE1-CE2 3.93Å; F475-Y477 HydrophobicContact CE1-CE2 3.93Å; F475-Y477 AromaticContact CE1-CG 3.82Å; F475-Y477 HydrophobicContact CE1-CG 3.82Å; F475-Y477 AromaticContact CE1-CZ 3.92Å; F475-Y477 HydrophobicContact CZ-CD1 4.06Å; F475-Y477 HydrophobicContact CZ-CE1 4.3Å; F475-Y477 HydrophobicContact CZ-CG 4.32Å; F475-V485 PolarHBondContact O-N 3.03Å; F475-L486 HydrophobicContact CB-CB 4.03Å; F475-L486 HydrophobicContact CB-CD1 4.16Å; F475-L486 HydrophobicContact CB-CG 4.33Å; F475-L486 PolarHBondContact N-O 3.18Å; F475-L486 PolarHBondContact O-N 3.44Å; F475-L486 VanDerWaalsContact O-N 3.11Å; F475-T511 HydrophobicContact CD1-CG2 3.3Å; F475-T511 HydrophobicContact CE1-CG2 3.6Å; F475-T511 HydrophobicContact CG-CG2 4.22Å; F475-L515 HydrophobicContact CB-CD1 4.09Å; F475-L515 HydrophobicContact CD2-CD2 3.88Å; F475-L515 HydrophobicContact CE2-CD2 4.18Å; F475-L515 HydrophobicContact CG-CD1 4.28Å; F475-L515 HydrophobicContact CG-CD2 4.27Å; F475-Y520 HydrophobicContact CE2-CD1 4.38Å; F475-Y520 HydrophobicContact CE2-CG 4.14Å; F475-Y520 AromaticContact CZ-CD1 3.88Å; F475-Y520 HydrophobicContact CZ-CD1 3.88Å; F475-Y520 HydrophobicContact CZ-CD2 4.32Å; F475-Y520 AromaticContact CZ-CG 3.69Å; F475-Y520 HydrophobicContact CZ-CG 3.69Å; F475-Q521 VanDerWaalsContact CD2-O 3.25Å; F475-Q521 WeakPolarHBondContact CD2-O 3.07Å; F475-Q521 VanDerWaalsContact CE2-O 3.26Å; F475-Q521 WeakPolarHBondContact CE2-O 3.07Å; F475-T523 WeakPolarHBondContact CA-OG1 3.43Å; F475-T523 PolarHBondContact N-OG1 2.61Å
476	S	92.3	Very high	92	Very high	17 Å²	17	58.7 Å²	58.7	12%	0.119	30%	0.295	C	S	.	.			trans	-126	139.7	165.3	-59.5	0	0	0	0	109.3	P481 P484 T523	S476-P481 WeakPolarHBondContact CB-O 3.31Å; S476-P481 PolarHBondContact OG-O 3.42Å; S476-P481 VanDerWaalsContact OG-O 3.07Å; S476-P484 WeakPolarHBondContact OG-CA 3.36Å; S476-T523 PolarHBondContact N-OG1 3.31Å
477	Y	89.9	Confident	92.1	Very high	55 Å²	55	62.3 Å²	62.3	22%	0.216	31%	0.312	C	S	.	.			trans	-65.2	138.9	172.8	-75.5	-83.7	0	0	0	110.3	F475 S479 R480 V485 T511 Y520	F475-Y477 AromaticContact CE1-CD1 3.83Å; F475-Y477 HydrophobicContact CE1-CD1 3.83Å; F475-Y477 AromaticContact CE1-CD2 3.88Å; F475-Y477 HydrophobicContact CE1-CD2 3.88Å; F475-Y477 AromaticContact CE1-CE1 3.88Å; F475-Y477 HydrophobicContact CE1-CE1 3.88Å; F475-Y477 AromaticContact CE1-CE2 3.93Å; F475-Y477 HydrophobicContact CE1-CE2 3.93Å; F475-Y477 AromaticContact CE1-CG 3.82Å; F475-Y477 HydrophobicContact CE1-CG 3.82Å; F475-Y477 AromaticContact CE1-CZ 3.92Å; F475-Y477 HydrophobicContact CZ-CD1 4.06Å; F475-Y477 HydrophobicContact CZ-CE1 4.3Å; F475-Y477 HydrophobicContact CZ-CG 4.32Å; Y477-S479 PolarHBondContact O-N 3.4Å; Y477-S479 VanDerWaalsContact O-N 3.12Å; Y477-R480 CarbonylContact O-C 3.58Å; Y477-R480 PolarHBondContact O-N 3.1Å; Y477-V485 HydrophobicContact CD2-CG2 3.8Å; Y477-V485 HydrophobicContact CE2-CG1 4.42Å; Y477-V485 HydrophobicContact CE2-CG2 3.98Å; Y477-T511 HydrophobicContact CE2-CG2 4.18Å; Y477-T511 PolarHBondContact OH-OG1 3.38Å; Y477-Y520 HydrophobicContact CD1-CE1 4.27Å; Y477-Y520 HydrophobicContact CD1-CE2 4.48Å; Y477-Y520 HydrophobicContact CE1-CD2 4.4Å; Y477-Y520 HydrophobicContact CE1-CE1 4.48Å; Y477-Y520 AromaticContact CE1-CE2 3.9Å; Y477-Y520 HydrophobicContact CE1-CE2 3.9Å; Y477-Y520 AromaticContact CE1-CZ 3.95Å
478	P	85.8	Confident	91.9	Very high	66 Å²	66	58.7 Å²	58.7	43%	0.429	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.8	-179.9	-28.5	36.2	0	0	0	114.3	A239 R480 P481	A239-P478 HydrophobicContact CB-CB 3.9Å; A239-P478 HydrophobicContact CB-CG 3.92Å; P478-R480 PolarHBondContact O-N 3.4Å; P478-P481 WeakPolarHBondContact O-CD 3.39Å
479	S	83.1	Confident	91.7	Very high	58 Å²	58	58.6 Å²	58.6	41%	0.406	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.9	176.5	56.8	0	0	0	0	113.9	Y477	Y477-S479 PolarHBondContact O-N 3.4Å; Y477-S479 VanDerWaalsContact O-N 3.12Å
480	R	86.1	Confident	91.6	Very high	174 Å²	174	61.4 Å²	61.4	66%	0.657	33%	0.325	S	S	*	.			trans	-146.4	65.5	-178.8	-62.7	-176.3	-177.7	165.4	1.9	110.9	Y477 P478 E482 K483	Y477-R480 CarbonylContact O-C 3.58Å; Y477-R480 PolarHBondContact O-N 3.1Å; P478-R480 PolarHBondContact O-N 3.4Å; R480-E482 PolarHBondContact O-N 3.01Å; R480-K483 PolarHBondContact O-N 3.32Å
481	P	85.3	Confident	91.5	Very high	77 Å²	77	62 Å²	62	50%	0.5	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.7	-173.9	25.6	-33.4	0	0	0	112.5	S476 P478 K483	S476-P481 WeakPolarHBondContact CB-O 3.31Å; S476-P481 PolarHBondContact OG-O 3.42Å; S476-P481 VanDerWaalsContact OG-O 3.07Å; P478-P481 WeakPolarHBondContact O-CD 3.39Å; P481-K483 PolarHBondContact O-N 3.02Å
482	E	88.4	Confident	91.5	Very high	172 Å²	172	59.9 Å²	59.9	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.3	-178.6	-46.3	-58.6	160.1	0	0	114.4	R480 P484	R480-E482 PolarHBondContact O-N 3.01Å; E482-P484 WeakPolarHBondContact O-CD 3.36Å
483	K	88.8	Confident	91.6	Very high	147 Å²	147	55.1 Å²	55.1	64%	0.639	30%	0.295	S	S	*	.	S	Bend	trans	-114.9	93.3	-176.6	-71.4	-170.7	177.1	-174.7	0	110.1	R480 P481 V485	R480-K483 PolarHBondContact O-N 3.32Å; P481-K483 PolarHBondContact O-N 3.02Å; K483-V485 PolarHBondContact O-N 3.35Å
484	P	89.8	Confident	91.5	Very high	70 Å²	70	58.5 Å²	58.5	46%	0.455	31%	0.31	S	S	.	.			trans	-64	127.4	176.1	27	-33.4	0	0	0	110.2	S476 E482 Q487	S476-P484 WeakPolarHBondContact OG-CA 3.36Å; E482-P484 WeakPolarHBondContact O-CD 3.36Å; P484-Q487 HydrophobicContact CB-CG 4.04Å; P484-Q487 HydrophobicContact CG-CG 4.42Å
485	V	93.4	Very high	91.4	Very high	36 Å²	36	59 Å²	59	22%	0.218	31%	0.313	C	S	.	.	S	Bend	trans	-93.9	-36.1	178.1	177.4	0	0	0	0	110.9	F475 Y477 K483 T511 G678	F475-V485 PolarHBondContact O-N 3.03Å; Y477-V485 HydrophobicContact CD2-CG2 3.8Å; Y477-V485 HydrophobicContact CE2-CG1 4.42Å; Y477-V485 HydrophobicContact CE2-CG2 3.98Å; K483-V485 PolarHBondContact O-N 3.35Å; V485-T511 HydrophobicContact CG1-CG2 4.27Å; V485-G678 WeakPolarHBondContact O-CA 3.48Å
486	L	94.4	Very high	91.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.6	176.2	-62	-178	0	0	0	108.8	S474 F475 L489 T511 V512 L515 L675	S474-L486 WeakPolarHBondContact CA-O 3.15Å; F475-L486 HydrophobicContact CB-CB 4.03Å; F475-L486 HydrophobicContact CB-CD1 4.16Å; F475-L486 HydrophobicContact CB-CG 4.33Å; F475-L486 PolarHBondContact N-O 3.18Å; F475-L486 PolarHBondContact O-N 3.44Å; F475-L486 VanDerWaalsContact O-N 3.11Å; L486-L489 HydrophobicContact CB-CD1 3.71Å; L486-L489 HydrophobicContact CD2-CD1 3.96Å; L486-L489 HydrophobicContact CD2-CD2 3.99Å; L486-L489 HydrophobicContact CG-CD1 4.32Å; L486-T511 HydrophobicContact CD1-CG2 3.88Å; L486-T511 HydrophobicContact CG-CG2 4.16Å; L486-V512 HydrophobicContact CD1-CG2 4.15Å; L486-V512 HydrophobicContact CD2-CG2 4.18Å; L486-L515 HydrophobicContact CD1-CD1 3.49Å; L486-L515 VanDerWaalsContact CD1-CD1 3.49Å; L486-L675 HydrophobicContact CD2-CD2 4.32Å
487	Q	93.8	Very high	91.2	Very high	76 Å²	76	63.9 Å²	63.9	36%	0.355	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	99.4	-172.5	-61.2	174.9	32	0	0	109.2	P484 L489 G678 Q679	P484-Q487 HydrophobicContact CB-CG 4.04Å; P484-Q487 HydrophobicContact CG-CG 4.42Å; Q487-L489 PolarHBondContact O-N 3.47Å; Q487-G678 PolarHBondContact N-O 3.47Å; Q487-Q679 HydrophobicContact CB-CG 3.83Å
488	G	92.1	Very high	91.3	Very high	28 Å²	28	62.3 Å²	62.3	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.4	39.9	173.7	0	0	0	0	0	115.8	D472 V473 S474 T490	D472-G488 WeakPolarHBondContact OD1-CA 3.3Å; V473-G488 PolarHBondContact O-N 3.05Å; S474-G488 PolarHBondContact OG-N 3.02Å; G488-T490 PolarHBondContact O-N 3.43Å
489	L	93.9	Very high	91.6	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.1	179.3	-82.1	72.1	0	0	0	111	D472 V473 L486 Q487 F491 V512 L675 G678	D472-L489 PolarHBondContact N-O 2.94Å; V473-L489 HydrophobicContact CB-CB 4.49Å; V473-L489 PolarHBondContact N-O 3.03Å; V473-L489 PolarHBondContact O-N 3.33Å; L486-L489 HydrophobicContact CB-CD1 3.71Å; L486-L489 HydrophobicContact CD2-CD1 3.96Å; L486-L489 HydrophobicContact CD2-CD2 3.99Å; L486-L489 HydrophobicContact CG-CD1 4.32Å; Q487-L489 PolarHBondContact O-N 3.47Å; L489-F491 HydrophobicContact CB-CD1 4.43Å; L489-F491 HydrophobicContact CB-CE1 4.35Å; L489-F491 HydrophobicContact CD2-CE1 4.01Å; L489-V512 HydrophobicContact CD2-CG2 3.98Å; L489-L675 HydrophobicContact CD2-CD1 3.75Å; L489-L675 HydrophobicContact CG-CD1 4.22Å; L489-G678 WeakPolarHBondContact CD1-O 3.31Å
490	T	94.7	Very high	92	Very high	88 Å²	88	56.4 Å²	56.4	54%	0.54	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.6	173.6	-58.5	0	0	0	0	110.1	F470 D472 G488 L680	F470-T490 VanDerWaalsContact O-CA 3.28Å; F470-T490 WeakPolarHBondContact O-CA 3.44Å; D472-T490 PolarHBondContact N-OG1 3.03Å; G488-T490 PolarHBondContact O-N 3.43Å; T490-L680 WeakPolarHBondContact O-CD1 3.35Å
491	F	94.8	Very high	92.2	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	166.7	175.2	66.6	-84.4	0	0	0	111	F470 L489 L493 V512 L673 L680	F470-F491 HydrophobicContact CB-CD1 3.83Å; F470-F491 HydrophobicContact CB-CE1 3.82Å; F470-F491 HydrophobicContact CB-CG 4.42Å; F470-F491 HydrophobicContact CB-CZ 4.4Å; F470-F491 AromaticContact CD1-CE1 3.86Å; F470-F491 HydrophobicContact CD1-CE1 3.86Å; F470-F491 HydrophobicContact CD1-CZ 4.18Å; F470-F491 HydrophobicContact CD2-CD1 4.12Å; F470-F491 HydrophobicContact CD2-CD2 4.19Å; F470-F491 AromaticContact CD2-CE1 3.49Å; F470-F491 HydrophobicContact CD2-CE1 3.49Å; F470-F491 VanDerWaalsContact CD2-CE1 3.49Å; F470-F491 AromaticContact CD2-CE2 3.56Å; F470-F491 HydrophobicContact CD2-CE2 3.56Å; F470-F491 HydrophobicContact CD2-CG 4.46Å; F470-F491 AromaticContact CD2-CZ 3.18Å; F470-F491 HydrophobicContact CD2-CZ 3.18Å; F470-F491 HydrophobicContact CE1-CE1 4.31Å; F470-F491 HydrophobicContact CE1-CZ 4.28Å; F470-F491 AromaticContact CE2-CE1 3.93Å; F470-F491 HydrophobicContact CE2-CE1 3.93Å; F470-F491 AromaticContact CE2-CE2 3.75Å; F470-F491 HydrophobicContact CE2-CE2 3.75Å; F470-F491 AromaticContact CE2-CZ 3.26Å; F470-F491 HydrophobicContact CE2-CZ 3.26Å; F470-F491 AromaticContact CG-CD1 3.99Å; F470-F491 HydrophobicContact CG-CD1 3.99Å; F470-F491 AromaticContact CG-CE1 3.45Å; F470-F491 HydrophobicContact CG-CE1 3.45Å; F470-F491 VanDerWaalsContact CG-CE1 3.45Å; F470-F491 HydrophobicContact CG-CE2 4.35Å; F470-F491 AromaticContact CG-CZ 3.68Å; F470-F491 HydrophobicContact CG-CZ 3.68Å; F470-F491 HydrophobicContact CZ-CE1 4.34Å; F470-F491 AromaticContact CZ-CZ 3.86Å; F470-F491 HydrophobicContact CZ-CZ 3.86Å; F470-F491 PolarHBondContact N-O 3.3Å; F470-F491 PolarHBondContact O-N 3.02Å; L489-F491 HydrophobicContact CB-CD1 4.43Å; L489-F491 HydrophobicContact CB-CE1 4.35Å; L489-F491 HydrophobicContact CD2-CE1 4.01Å; F491-L493 HydrophobicContact CD2-CD2 4.07Å; F491-L493 HydrophobicContact CD2-CG 4.45Å; F491-L493 HydrophobicContact CE2-CD2 3.79Å; F491-L493 HydrophobicContact CE2-CG 4.06Å; F491-V512 HydrophobicContact CZ-CG1 3.95Å; F491-L673 HydrophobicContact CB-CD1 4.1Å; F491-L673 HydrophobicContact CB-CD2 4.39Å; F491-L673 HydrophobicContact CD1-CD1 4.43Å; F491-L673 HydrophobicContact CD2-CD1 3.37Å; F491-L673 HydrophobicContact CE2-CD1 3.8Å; F491-L673 HydrophobicContact CG-CD1 3.72Å; F491-L673 HydrophobicContact CZ-CD1 4.47Å; F491-L680 HydrophobicContact CB-CD1 3.91Å; F491-L680 HydrophobicContact CD1-CD1 3.71Å; F491-L680 HydrophobicContact CG-CD1 4.17Å
492	T	95.9	Very high	92.4	Very high	35 Å²	35	45.2 Å²	45.2	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.2	-179.5	-55	0	0	0	0	110.4	R467 V468 E469 Q671	R467-T492 HydrophobicContact CG-CG2 4.22Å; V468-T492 CarbonylContact O-C 3.54Å; V468-T492 VanDerWaalsContact O-CA 3.28Å; V468-T492 WeakPolarHBondContact O-CA 3.39Å; V468-T492 WeakPolarHBondContact O-CG2 3.35Å; E469-T492 HydrophobicContact CG-CG2 3.98Å; T492-Q671 PolarHBondContact O-OE1 3.45Å
493	L	95.7	Very high	92.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.1	165.8	-49.8	177.4	0	0	0	108.1	R467 V468 F491 T499 L516 T655 L657	R467-L493 WeakPolarHBondContact CA-O 3.36Å; V468-L493 HydrophobicContact CB-CB 3.98Å; V468-L493 HydrophobicContact CB-CD1 4.02Å; V468-L493 HydrophobicContact CB-CG 4.13Å; V468-L493 HydrophobicContact CG1-CD1 4.22Å; V468-L493 HydrophobicContact CG2-CD1 4.3Å; V468-L493 PolarHBondContact N-O 3.26Å; V468-L493 PolarHBondContact O-N 3.38Å; F491-L493 HydrophobicContact CD2-CD2 4.07Å; F491-L493 HydrophobicContact CD2-CG 4.45Å; F491-L493 HydrophobicContact CE2-CD2 3.79Å; F491-L493 HydrophobicContact CE2-CG 4.06Å; L493-T499 HydrophobicContact CD2-CG2 3.68Å; L493-L516 HydrophobicContact CD1-CD1 4.31Å; L493-T655 HydrophobicContact CB-CG2 3.68Å; L493-L657 HydrophobicContact CD1-CB 4.16Å; L493-L657 HydrophobicContact CD1-CD2 4.37Å; L493-L657 HydrophobicContact CD2-CD1 4.1Å
494	H	94.3	Very high	92	Very high	70 Å²	70	33.5 Å²	33.5	32%	0.324	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-93.8	141.7	-176.1	-67.7	-75.9	0	0	0	111.9	G496 K497 T655	H494-G496 PolarHBondContact O-N 3.35Å; H494-K497 HydrophobicContact CB-CB 4.16Å; H494-K497 HydrophobicContact CB-CD 3.93Å; H494-K497 HydrophobicContact CB-CG 4.06Å; H494-K497 PolarHBondContact O-N 3.49Å; H494-K497 VanDerWaalsContact O-N 3.14Å; H494-T655 PolarHBondContact O-OG1 3.5Å
495	P	93.3	Very high	91.6	Very high	46 Å²	46	36.9 Å²	36.9	30%	0.299	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	139.2	167.9	-26.9	36	0	0	0	111.6	E465 R467 K497 T655	E465-P495 HydrophobicContact CB-CG 4.23Å; R467-P495 HydrophobicContact CB-CG 3.99Å; P495-K497 PolarHBondContact O-N 3.06Å; P495-K497 VanDerWaalsContact O-N 3.07Å; P495-T655 VanDerWaalsContact CA-OG1 3.31Å; P495-T655 WeakPolarHBondContact CA-OG1 3.47Å
496	G	90	Very high	91.1	Very high	26 Å²	26	38.9 Å²	38.9	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	-8.4	179.7	0	0	0	0	0	115.9	H494 R649 D653	H494-G496 PolarHBondContact O-N 3.35Å; G496-R649 PolarHBondContact O-NH2 3.11Å; G496-D653 WeakPolarHBondContact CA-O 3.22Å; G496-D653 PolarHBondContact N-O 3.47Å
497	K	91.7	Very high	90.7	Very high	98 Å²	98	39 Å²	39	43%	0.426	24%	0.242	S	C	.	.			trans	-103.5	141.8	-176.4	-63.2	-162.6	-179.1	-178.4	0	116.2	H494 P495 R649 M656 D670	H494-K497 HydrophobicContact CB-CB 4.16Å; H494-K497 HydrophobicContact CB-CD 3.93Å; H494-K497 HydrophobicContact CB-CG 4.06Å; H494-K497 PolarHBondContact O-N 3.49Å; H494-K497 VanDerWaalsContact O-N 3.14Å; P495-K497 PolarHBondContact O-N 3.06Å; P495-K497 VanDerWaalsContact O-N 3.07Å; K497-R649 PolarHBondContact O-NH1 3.38Å; K497-R649 PolarHBondContact O-NH2 2.9Å; K497-M656 PolarHBondContact O-N 3.48Å; K497-D670 WeakPolarHBondContact CA-OD2 3.42Å; K497-D670 HydrophobicContact CB-CB 4.05Å; K497-D670 HydrophobicContact CD-CB 4.21Å; K497-D670 HydrophobicContact CG-CB 4.31Å
498	V	91.4	Very high	90.5	Very high	22 Å²	22	35.7 Å²	35.7	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.8	175.4	-174.6	0	0	0	0	107.6	R649 V658 A669 D670 Q671	V498-R649 VanDerWaalsContact N-NH2 3.18Å; V498-V658 HydrophobicContact CG1-CG2 4.08Å; V498-A669 HydrophobicContact CG1-CB 4.1Å; V498-D670 PolarHBondContact N-OD2 3.38Å; V498-D670 PolarHBondContact O-N 3.33Å; V498-Q671 PolarHBondContact O-N 3.18Å; V498-Q671 VanDerWaalsContact O-N 3.1Å
499	T	92.8	Very high	90.5	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.6	172.3	-53.3	0	0	0	0	109.7	L493 M656 L657 V658 Q671 L673	L493-T499 HydrophobicContact CD2-CG2 3.68Å; T499-M656 PolarHBondContact N-O 3.08Å; T499-L657 HydrophobicContact CG2-CD1 4.26Å; T499-L657 CarbonylContact O-C 3.55Å; T499-L657 WeakPolarHBondContact O-CA 3.38Å; T499-V658 PolarHBondContact O-N 3.26Å; T499-Q671 CarbonylContact C-O 3.58Å; T499-Q671 VanDerWaalsContact CA-O 3.31Å; T499-Q671 WeakPolarHBondContact CA-O 3.42Å; T499-Q671 HydrophobicContact CG2-CB 4.21Å; T499-Q671 HydrophobicContact CG2-CG 4.17Å; T499-L673 HydrophobicContact CG2-CD1 3.61Å; T499-L673 HydrophobicContact CG2-CG 3.83Å
500	A	91	Very high	90.3	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.8	172.5	0	0	0	0	0	110.5	V502 V658 V666 A669 Q671 V672 L673	A500-V502 HydrophobicContact CB-CG2 4.49Å; A500-V658 CarbonylContact C-O 3.41Å; A500-V658 VanDerWaalsContact CA-O 3.31Å; A500-V658 WeakPolarHBondContact CA-O 3.38Å; A500-V666 HydrophobicContact CB-CG2 4.43Å; A500-A669 HydrophobicContact CB-CB 3.58Å; A500-Q671 PolarHBondContact N-O 3.41Å; A500-V672 HydrophobicContact CB-CG2 4.44Å; A500-V672 CarbonylContact O-C 3.54Å; A500-V672 WeakPolarHBondContact O-CA 3.42Å; A500-L673 PolarHBondContact O-N 3.46Å
501	L	91.2	Very high	90.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	173.6	-176.4	65.6	0	0	0	109.8	K509 V512 L657 V658 I659 A660 L673 L675	L501-K509 HydrophobicContact CD2-CB 4.08Å; L501-K509 HydrophobicContact CD2-CG 4.31Å; L501-K509 HydrophobicContact CG-CG 4.29Å; L501-V512 HydrophobicContact CD2-CB 4.08Å; L501-V512 HydrophobicContact CD2-CG1 4.19Å; L501-V512 HydrophobicContact CD2-CG2 4.16Å; L501-L657 HydrophobicContact CB-CD1 4.02Å; L501-V658 PolarHBondContact N-O 3.4Å; L501-I659 HydrophobicContact CB-CG1 4.43Å; L501-I659 HydrophobicContact CD2-CG1 4.37Å; L501-I659 WeakPolarHBondContact O-CA 3.31Å; L501-A660 PolarHBondContact O-N 3.37Å; L501-L673 WeakPolarHBondContact CA-O 3.42Å; L501-L673 HydrophobicContact CD1-CB 3.82Å; L501-L675 HydrophobicContact CD1-CB 4.09Å
502	V	88.3	Confident	90.2	Very high	15 Å²	15	33.4 Å²	33.4	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.9	-172.3	-170.3	0	0	0	0	110.3	A500 V666 V672 L673 V674 L675 L696	A500-V502 HydrophobicContact CB-CG2 4.49Å; V502-V666 HydrophobicContact CG2-CG1 4.19Å; V502-V666 HydrophobicContact CG2-CG2 3.55Å; V502-V672 HydrophobicContact CG2-CG1 4.29Å; V502-L673 PolarHBondContact N-O 3.29Å; V502-V674 CarbonylContact O-C 3.55Å; V502-V674 WeakPolarHBondContact O-CA 3.19Å; V502-L675 PolarHBondContact O-N 3.24Å; V502-L696 HydrophobicContact CG1-CD1 4.13Å
503	G	86.4	Confident	90.1	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	20%	0.202	C	C	.	.			trans	165.8	168.3	174.7	0	0	0	0	0	112.8	K509 L675	G503-K509 PolarHBondContact O-NZ 2.96Å; G503-L675 WeakPolarHBondContact CA-O 3.41Å
504	P	82.6	Confident	89.9	Confident	71 Å²	71	32.4 Å²	32.4	46%	0.461	21%	0.207	S	C	.	.			trans	-63.3	165.4	178.6	26.5	-33.6	0	0	0	112.4	G506 S507 K509	P504-G506 PolarHBondContact O-N 2.99Å; P504-S507 WeakPolarHBondContact O-CB 3.24Å; P504-S507 PolarHBondContact O-N 3Å; P504-S507 PolarHBondContact O-OG 3.3Å; P504-K509 PolarHBondContact O-NZ 3.01Å
505	N	83.2	Confident	89.9	Confident	142 Å²	142	29.2 Å²	29.2	76%	0.759	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	137.5	174.4	-69.8	-7.6	0	0	0	110.1	S507	N505-S507 VanDerWaalsContact C-N 3.33Å
506	G	82.4	Confident	89.9	Confident	78 Å²	78	27.1 Å²	27.1	80%	0.804	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	5.2	-176.3	0	0	0	0	0	115.4	P504 G508	P504-G506 PolarHBondContact O-N 2.99Å; G506-G508 VanDerWaalsContact C-N 3.26Å; G506-G508 PolarHBondContact O-N 3.06Å
507	S	86.4	Confident	90	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	17%	0.172	C	C	.	.	S	Bend	trans	-72.5	-12.8	177.8	68	0	0	0	0	115.2	P504 N505 K509 L675 G678	P504-S507 WeakPolarHBondContact O-CB 3.24Å; P504-S507 PolarHBondContact O-N 3Å; P504-S507 PolarHBondContact O-OG 3.3Å; N505-S507 VanDerWaalsContact C-N 3.33Å; S507-K509 WeakPolarHBondContact OG-CG 3.42Å; S507-L675 WeakPolarHBondContact CB-O 3.47Å; S507-L675 WeakPolarHBondContact O-CD2 3.27Å; S507-L675 WeakPolarHBondContact O-CG 3.32Å; S507-L675 PolarHBondContact OG-O 3.28Å; S507-G678 WeakPolarHBondContact O-CA 3.34Å; S507-G678 PolarHBondContact O-N 3.46Å; S507-G678 VanDerWaalsContact O-N 3.15Å
508	G	89.4	Confident	90	Very high	6 Å²	6	23.8 Å²	23.8	6%	0.062	16%	0.158	C	C	.	.	S	Bend	trans	112.1	3.6	177.9	0	0	0	0	0	115.9	G506 S510 T511 V512	G506-G508 VanDerWaalsContact C-N 3.26Å; G506-G508 PolarHBondContact O-N 3.06Å; G508-S510 PolarHBondContact O-N 3.42Å; G508-T511 WeakPolarHBondContact O-CA 3.34Å; G508-T511 WeakPolarHBondContact O-CB 3.43Å; G508-T511 PolarHBondContact O-N 3.06Å; G508-V512 PolarHBondContact O-N 3.06Å; G508-V512 VanDerWaalsContact O-N 3.07Å
509	K	91.2	Very high	89.9	Confident	14 Å²	14	25 Å²	25	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-54.4	-52.7	-175.1	-51.1	-174.8	-59.4	-82.5	0	114.3	L501 G503 P504 S507 T511 V512 A513 I659 H661 L675	L501-K509 HydrophobicContact CD2-CB 4.08Å; L501-K509 HydrophobicContact CD2-CG 4.31Å; L501-K509 HydrophobicContact CG-CG 4.29Å; G503-K509 PolarHBondContact O-NZ 2.96Å; P504-K509 PolarHBondContact O-NZ 3.01Å; S507-K509 WeakPolarHBondContact OG-CG 3.42Å; K509-T511 PolarHBondContact O-N 2.96Å; K509-V512 WeakPolarHBondContact O-CB 3.35Å; K509-V512 PolarHBondContact O-N 3.41Å; K509-V512 VanDerWaalsContact O-N 3.1Å; K509-A513 PolarHBondContact O-N 3.37Å; K509-I659 HydrophobicContact CB-CD1 4.28Å; K509-I659 HydrophobicContact CB-CG1 4.5Å; K509-I659 HydrophobicContact CB-CG2 3.74Å; K509-I659 HydrophobicContact CD-CG2 3.79Å; K509-I659 HydrophobicContact CG-CG2 4.34Å; K509-H661 WeakPolarHBondContact CE-NE2 3.19Å; K509-H661 PolarHBondContact NZ-NE2 2.88Å; K509-L675 HydrophobicContact CG-CD2 4.24Å
510	S	90.1	Very high	89.8	Confident	65 Å²	65	25.9 Å²	25.9	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-66.4	-22.4	177.2	-45.8	0	0	0	0	112.7	G508 A513 A514 D631	G508-S510 PolarHBondContact O-N 3.42Å; S510-A513 PolarHBondContact O-N 3.08Å; S510-A514 WeakPolarHBondContact O-CB 3.37Å; S510-A514 PolarHBondContact O-N 3.48Å; S510-D631 PolarHBondContact OG-OD2 3.4Å
511	T	92.8	Very high	89.8	Confident	8 Å²	8	28.6 Å²	28.6	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-39.2	173.5	-49.9	0	0	0	0	110.9	F475 Y477 V485 L486 G508 K509 A513 A514 L515	F475-T511 HydrophobicContact CD1-CG2 3.3Å; F475-T511 HydrophobicContact CE1-CG2 3.6Å; F475-T511 HydrophobicContact CG-CG2 4.22Å; Y477-T511 HydrophobicContact CE2-CG2 4.18Å; Y477-T511 PolarHBondContact OH-OG1 3.38Å; V485-T511 HydrophobicContact CG1-CG2 4.27Å; L486-T511 HydrophobicContact CD1-CG2 3.88Å; L486-T511 HydrophobicContact CG-CG2 4.16Å; G508-T511 WeakPolarHBondContact O-CA 3.34Å; G508-T511 WeakPolarHBondContact O-CB 3.43Å; G508-T511 PolarHBondContact O-N 3.06Å; K509-T511 PolarHBondContact O-N 2.96Å; T511-A513 VanDerWaalsContact C-N 3.33Å; T511-A513 PolarHBondContact O-N 2.96Å; T511-A514 PolarHBondContact O-N 3.39Å; T511-L515 WeakPolarHBondContact O-CG 3.27Å; T511-L515 PolarHBondContact O-N 3.48Å
512	V	94.1	Very high	89.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-45.9	172.4	176.1	0	0	0	0	110.5	F470 L486 L489 F491 L501 G508 K509 A514 L515 L516 L657 L675	F470-V512 HydrophobicContact CE1-CG1 4.21Å; F470-V512 HydrophobicContact CE2-CG1 4.27Å; F470-V512 HydrophobicContact CZ-CG1 3.66Å; L486-V512 HydrophobicContact CD1-CG2 4.15Å; L486-V512 HydrophobicContact CD2-CG2 4.18Å; L489-V512 HydrophobicContact CD2-CG2 3.98Å; F491-V512 HydrophobicContact CZ-CG1 3.95Å; L501-V512 HydrophobicContact CD2-CB 4.08Å; L501-V512 HydrophobicContact CD2-CG1 4.19Å; L501-V512 HydrophobicContact CD2-CG2 4.16Å; G508-V512 PolarHBondContact O-N 3.06Å; G508-V512 VanDerWaalsContact O-N 3.07Å; K509-V512 WeakPolarHBondContact O-CB 3.35Å; K509-V512 PolarHBondContact O-N 3.41Å; K509-V512 VanDerWaalsContact O-N 3.1Å; V512-A514 PolarHBondContact O-N 2.95Å; V512-L515 PolarHBondContact O-N 2.96Å; V512-L516 HydrophobicContact CG1-CD1 4.2Å; V512-L516 WeakPolarHBondContact O-CG 3.27Å; V512-L516 PolarHBondContact O-N 3.47Å; V512-L657 HydrophobicContact CG1-CD2 4.36Å; V512-L675 HydrophobicContact CG2-CD2 4.47Å
513	A	93.4	Very high	90	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-43.5	175.6	0	0	0	0	0	112.5	K509 S510 T511 L515 L516 Q517 L548 I629 I659	K509-A513 PolarHBondContact O-N 3.37Å; S510-A513 PolarHBondContact O-N 3.08Å; T511-A513 VanDerWaalsContact C-N 3.33Å; T511-A513 PolarHBondContact O-N 2.96Å; A513-L515 PolarHBondContact O-N 2.87Å; A513-L516 PolarHBondContact O-N 3.02Å; A513-Q517 WeakPolarHBondContact O-CG 3.31Å; A513-Q517 PolarHBondContact O-N 3.2Å; A513-Q517 VanDerWaalsContact O-N 3.1Å; A513-L548 HydrophobicContact CB-CD1 4.09Å; A513-L548 HydrophobicContact CB-CD2 4.38Å; A513-I629 HydrophobicContact CB-CG2 4.06Å; A513-I659 HydrophobicContact CB-CD1 4.07Å
514	A	92.5	Very high	90.2	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-36.7	179.3	0	0	0	0	0	113	S510 T511 V512 Q517 N518 L519 Y520	S510-A514 WeakPolarHBondContact O-CB 3.37Å; S510-A514 PolarHBondContact O-N 3.48Å; T511-A514 PolarHBondContact O-N 3.39Å; V512-A514 PolarHBondContact O-N 2.95Å; A514-Q517 PolarHBondContact O-N 3.04Å; A514-N518 PolarHBondContact O-N 3.3Å; A514-L519 WeakPolarHBondContact O-CB 3.3Å; A514-L519 PolarHBondContact O-N 3.42Å; A514-Y520 HydrophobicContact CB-CD2 3.92Å; A514-Y520 HydrophobicContact CB-CE2 4.23Å
515	L	93.8	Very high	90.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-39.2	173.8	-70.8	173.8	0	0	0	111.9	V473 F475 L486 T511 V512 A513 Q517 N518 Y520 L527	V473-L515 HydrophobicContact CG1-CD1 4.12Å; F475-L515 HydrophobicContact CB-CD1 4.09Å; F475-L515 HydrophobicContact CD2-CD2 3.88Å; F475-L515 HydrophobicContact CE2-CD2 4.18Å; F475-L515 HydrophobicContact CG-CD1 4.28Å; F475-L515 HydrophobicContact CG-CD2 4.27Å; L486-L515 HydrophobicContact CD1-CD1 3.49Å; L486-L515 VanDerWaalsContact CD1-CD1 3.49Å; T511-L515 WeakPolarHBondContact O-CG 3.27Å; T511-L515 PolarHBondContact O-N 3.48Å; V512-L515 PolarHBondContact O-N 2.96Å; A513-L515 PolarHBondContact O-N 2.87Å; L515-Q517 VanDerWaalsContact C-N 3.26Å; L515-Q517 PolarHBondContact O-N 3.17Å; L515-N518 WeakPolarHBondContact O-CA 3.16Å; L515-N518 PolarHBondContact O-N 3.5Å; L515-Y520 WeakPolarHBondContact CD2-O 3.38Å; L515-L527 HydrophobicContact CB-CD2 4.09Å; L515-L527 WeakPolarHBondContact O-CD2 3.43Å
516	L	93.9	Very high	91.2	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-34.3	176	-77.6	168.3	0	0	0	113.5	V468 F470 L493 V512 A513 N518 L527 I629 L657	V468-L516 HydrophobicContact CB-CD2 4.45Å; V468-L516 HydrophobicContact CG1-CD2 3.29Å; V468-L516 HydrophobicContact CG2-CD2 4.44Å; F470-L516 HydrophobicContact CE2-CD1 4.23Å; F470-L516 HydrophobicContact CE2-CD2 3.69Å; F470-L516 HydrophobicContact CE2-CG 4Å; F470-L516 HydrophobicContact CZ-CD1 4.23Å; F470-L516 HydrophobicContact CZ-CD2 3.88Å; F470-L516 HydrophobicContact CZ-CG 3.78Å; L493-L516 HydrophobicContact CD1-CD1 4.31Å; V512-L516 HydrophobicContact CG1-CD1 4.2Å; V512-L516 WeakPolarHBondContact O-CG 3.27Å; V512-L516 PolarHBondContact O-N 3.47Å; A513-L516 PolarHBondContact O-N 3.02Å; L516-N518 PolarHBondContact O-N 3.27Å; L516-L527 HydrophobicContact CD2-CD1 4.23Å; L516-L527 HydrophobicContact CD2-CD2 4.2Å; L516-I629 HydrophobicContact CB-CD1 3.65Å; L516-I629 HydrophobicContact CD1-CD1 3.84Å; L516-I629 HydrophobicContact CG-CD1 4.38Å; L516-L657 HydrophobicContact CD1-CD2 3.51Å
517	Q	91.7	Very high	91.8	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.131	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.2	172.3	-65.9	-164	-57.9	0	0	113	A513 A514 L515 L519 H543 L548 I629	A513-Q517 WeakPolarHBondContact O-CG 3.31Å; A513-Q517 PolarHBondContact O-N 3.2Å; A513-Q517 VanDerWaalsContact O-N 3.1Å; A514-Q517 PolarHBondContact O-N 3.04Å; L515-Q517 VanDerWaalsContact C-N 3.26Å; L515-Q517 PolarHBondContact O-N 3.17Å; Q517-L519 HydrophobicContact CB-CD1 4.1Å; Q517-L519 HydrophobicContact CB-CG 3.78Å; Q517-L519 PolarHBondContact O-N 3.15Å; Q517-L519 VanDerWaalsContact O-N 3.07Å; Q517-H543 PolarHBondContact O-CE1 3.25Å; Q517-H543 PolarHBondContact O-NE2 2.97Å; Q517-L548 HydrophobicContact CG-CB 4.27Å; Q517-I629 HydrophobicContact CG-CD1 4.48Å
518	N	91.4	Very high	92.3	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.134	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	27.7	-177.6	-160.3	35.2	0	0	0	113.1	A514 L515 L516 Y520 Q521 L542	A514-N518 PolarHBondContact O-N 3.3Å; L515-N518 WeakPolarHBondContact O-CA 3.16Å; L515-N518 PolarHBondContact O-N 3.5Å; L516-N518 PolarHBondContact O-N 3.27Å; N518-Y520 VanDerWaalsContact C-N 3.3Å; N518-Q521 PolarHBondContact OD1-NE2 3.49Å; N518-L542 HydrophobicContact CB-CD2 3.55Å
519	L	89.9	Confident	92.6	Very high	47 Å²	47	29.1 Å²	29.1	25%	0.246	18%	0.175	C	C	.	.	S	Bend	trans	-76.3	-24.3	176.4	-62.6	178.2	0	0	0	111.7	L238 A514 Q517	L238-L519 HydrophobicContact CD1-CB 4.37Å; L238-L519 HydrophobicContact CD1-CD2 4.2Å; L238-L519 HydrophobicContact CD2-CB 4.33Å; L238-L519 HydrophobicContact CD2-CD1 4.28Å; A514-L519 WeakPolarHBondContact O-CB 3.3Å; A514-L519 PolarHBondContact O-N 3.42Å; Q517-L519 HydrophobicContact CB-CD1 4.1Å; Q517-L519 HydrophobicContact CB-CG 3.78Å; Q517-L519 PolarHBondContact O-N 3.15Å; Q517-L519 VanDerWaalsContact O-N 3.07Å
520	Y	90.3	Very high	92.8	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.078	18%	0.184	C	C	.	.	S	Bend	trans	-131.4	154.9	170.4	-64.1	-80.1	0	0	0	109.8	L238 Q242 F475 Y477 A514 L515 N518	L238-Y520 HydrophobicContact CB-CE1 4.2Å; L238-Y520 WeakPolarHBondContact CB-OH 2.91Å; L238-Y520 HydrophobicContact CD2-CE2 4.36Å; Q242-Y520 PolarHBondContact NE2-OH 3.2Å; F475-Y520 HydrophobicContact CE2-CD1 4.38Å; F475-Y520 HydrophobicContact CE2-CG 4.14Å; F475-Y520 AromaticContact CZ-CD1 3.88Å; F475-Y520 HydrophobicContact CZ-CD1 3.88Å; F475-Y520 HydrophobicContact CZ-CD2 4.32Å; F475-Y520 AromaticContact CZ-CG 3.69Å; F475-Y520 HydrophobicContact CZ-CG 3.69Å; Y477-Y520 HydrophobicContact CD1-CE1 4.27Å; Y477-Y520 HydrophobicContact CD1-CE2 4.48Å; Y477-Y520 HydrophobicContact CE1-CD2 4.4Å; Y477-Y520 HydrophobicContact CE1-CE1 4.48Å; Y477-Y520 AromaticContact CE1-CE2 3.9Å; Y477-Y520 HydrophobicContact CE1-CE2 3.9Å; Y477-Y520 AromaticContact CE1-CZ 3.95Å; A514-Y520 HydrophobicContact CB-CD2 3.92Å; A514-Y520 HydrophobicContact CB-CE2 4.23Å; L515-Y520 WeakPolarHBondContact CD2-O 3.38Å; N518-Y520 VanDerWaalsContact C-N 3.3Å
521	Q	89.9	Confident	93	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	18%	0.184	S	C	.	.			trans	-94.4	140.6	170.4	-64	-56.2	-43.7	0	0	110.1	P454 F475 N518	P454-Q521 HydrophobicContact CG-CG 4.13Å; F475-Q521 VanDerWaalsContact CD2-O 3.25Å; F475-Q521 WeakPolarHBondContact CD2-O 3.07Å; F475-Q521 VanDerWaalsContact CE2-O 3.26Å; F475-Q521 WeakPolarHBondContact CE2-O 3.07Å; N518-Q521 PolarHBondContact OD1-NE2 3.49Å
522	P	92.4	Very high	93.1	Very high	35 Å²	35	33 Å²	33	23%	0.227	20%	0.199	C	C	.	.			trans	-62.3	143.9	171.6	29.6	-34.8	0	0	0	110.4	V473	V473-P522 HydrophobicContact CG1-CB 3.82Å
523	T	91.4	Very high	93.1	Very high	98 Å²	98	34.6 Å²	34.6	60%	0.601	21%	0.209	S	C	*	.	S	Bend	trans	-80.3	-20.6	174.1	36.2	0	0	0	0	112.5	S474 F475 S476	S474-T523 PolarHBondContact O-N 3.03Å; S474-T523 PolarHBondContact O-OG1 3Å; S474-T523 VanDerWaalsContact O-OG1 3.08Å; F475-T523 WeakPolarHBondContact CA-OG1 3.43Å; F475-T523 PolarHBondContact N-OG1 2.61Å; S476-T523 PolarHBondContact N-OG1 3.31Å
524	G	91.8	Very high	93	Very high	26 Å²	26	35 Å²	35	27%	0.268	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.5	173.4	0	0	0	0	0	111.1	V473 S474	V473-G524 WeakPolarHBondContact CA-O 3.29Å; S474-G524 PolarHBondContact N-O 3.35Å; S474-G524 PolarHBondContact O-N 3.03Å
525	G	93.6	Very high	92.9	Very high	38 Å²	38	36.5 Å²	36.5	39%	0.392	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.1	-167.6	-174.1	0	0	0	0	0	113.4	Q471 D472	Q471-G525 CarbonylContact O-C 3.51Å; Q471-G525 WeakPolarHBondContact O-CA 3.22Å; D472-G525 VanDerWaalsContact O-CA 3.27Å; D472-G525 WeakPolarHBondContact O-CA 3.49Å; D472-G525 PolarHBondContact O-N 3.44Å
526	Q	93.7	Very high	92.9	Very high	107 Å²	107	40.7 Å²	40.7	50%	0.5	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148	-179.6	-61.5	-174.7	15.3	0	0	111.7	Q471 V473 L528	Q471-Q526 PolarHBondContact N-O 3.22Å; Q471-Q526 PolarHBondContact O-N 3.01Å; V473-Q526 WeakPolarHBondContact CG2-O 3.47Å; Q526-L528 HydrophobicContact CB-CD2 4.43Å
527	L	94.9	Very high	92.9	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.3	176.4	-175.3	56.7	0	0	0	108.8	V468 E469 F470 L515 L516 L534	V468-L527 HydrophobicContact CG1-CD1 4.05Å; E469-L527 WeakPolarHBondContact O-CA 3.43Å; E469-L527 WeakPolarHBondContact O-CD1 3.35Å; F470-L527 HydrophobicContact CB-CD1 4.44Å; F470-L527 HydrophobicContact CD1-CD1 3.75Å; F470-L527 HydrophobicContact CD2-CD1 3.39Å; F470-L527 HydrophobicContact CE1-CD1 3.71Å; F470-L527 HydrophobicContact CE1-CD2 4.07Å; F470-L527 HydrophobicContact CE2-CD1 3.38Å; F470-L527 HydrophobicContact CG-CD1 3.58Å; F470-L527 HydrophobicContact CZ-CD1 3.52Å; F470-L527 HydrophobicContact CZ-CD2 3.96Å; F470-L527 HydrophobicContact CZ-CG 4.44Å; L515-L527 HydrophobicContact CB-CD2 4.09Å; L515-L527 WeakPolarHBondContact O-CD2 3.43Å; L516-L527 HydrophobicContact CD2-CD1 4.23Å; L516-L527 HydrophobicContact CD2-CD2 4.2Å; L527-L534 HydrophobicContact CB-CD1 4.33Å; L527-L534 HydrophobicContact CD2-CD1 3.38Å; L527-L534 HydrophobicContact CD2-CG 4.46Å; L527-L534 HydrophobicContact CG-CD1 3.57Å; L527-L534 HydrophobicContact CG-CG 4.15Å; L527-L534 PolarHBondContact O-N 3.42Å; L527-L534 VanDerWaalsContact O-N 3.14Å
528	L	96	Very high	93	Very high	13 Å²	13	42 Å²	42	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.5	-173.3	-49.3	176.1	0	0	0	110.8	V468 E469 Q471 Q526 E532 P533	V468-L528 CarbonylContact C-O 3.43Å; V468-L528 WeakPolarHBondContact CA-O 3.26Å; E469-L528 HydrophobicContact CB-CB 4.27Å; E469-L528 PolarHBondContact N-O 3.15Å; E469-L528 PolarHBondContact O-N 3.49Å; Q471-L528 VanDerWaalsContact NE2-CD1 3.25Å; Q526-L528 HydrophobicContact CB-CD2 4.43Å; L528-E532 CarbonylContact C-O 3.56Å; L528-E532 VanDerWaalsContact CA-O 3.31Å; L528-E532 WeakPolarHBondContact CA-O 3.47Å; L528-P533 HydrophobicContact CD2-CB 4.16Å; L528-P533 HydrophobicContact CD2-CG 3.76Å
529	L	96.1	Very high	92.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121	167.7	-179.5	66.5	0	0	0	107	L464 R467 V468 G531 E532 L534 Y537 L542 V546 V627	L464-L529 HydrophobicContact CD1-CD2 3.84Å; L464-L529 HydrophobicContact CD1-CG 4.15Å; L464-L529 HydrophobicContact CD2-CD1 4.17Å; L464-L529 HydrophobicContact CD2-CD2 4.11Å; L464-L529 HydrophobicContact CD2-CG 4.3Å; R467-L529 CarbonylContact O-C 3.49Å; R467-L529 WeakPolarHBondContact O-CA 3.39Å; V468-L529 HydrophobicContact CG2-CD1 3.79Å; L529-G531 PolarHBondContact O-N 3.4Å; L529-G531 VanDerWaalsContact O-N 3.07Å; L529-E532 PolarHBondContact N-O 3.38Å; L529-E532 PolarHBondContact O-N 2.76Å; L529-L534 HydrophobicContact CB-CD2 3.69Å; L529-L534 HydrophobicContact CD2-CD2 4.13Å; L529-Y537 HydrophobicContact CB-CE2 3.94Å; L529-Y537 HydrophobicContact CD2-CE1 4.22Å; L529-Y537 HydrophobicContact CD2-CE2 4.25Å; L529-Y537 HydrophobicContact CG-CE2 4.45Å; L529-Y537 PolarHBondContact O-OH 2.72Å; L529-L542 HydrophobicContact CD2-CD1 3.85Å; L529-V546 HydrophobicContact CD2-CG2 4.27Å; L529-V627 HydrophobicContact CD1-CG2 4.19Å
530	D	95.1	Very high	93	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	34.2	-174.2	-64.7	-5.8	0	0	0	114.1	L464 E465 G466 R467	L464-D530 WeakPolarHBondContact CA-OD2 3.42Å; L464-D530 WeakPolarHBondContact CG-OD2 3.34Å; E465-D530 PolarHBondContact N-OD2 2.94Å; G466-D530 PolarHBondContact N-OD1 3.24Å; G466-D530 PolarHBondContact N-OD2 2.86Å; R467-D530 WeakPolarHBondContact CB-OD1 3.02Å; R467-D530 PolarHBondContact N-OD1 3.43Å; R467-D530 PolarHBondContact O-N 3.46Å
531	G	93.4	Very high	93.1	Very high	43 Å²	43	51.1 Å²	51.1	44%	0.443	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-8.6	179.8	0	0	0	0	0	115.3	L529	L529-G531 PolarHBondContact O-N 3.4Å; L529-G531 VanDerWaalsContact O-N 3.07Å
532	E	94.9	Very high	93.3	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.7	178.7	-66.9	-65.5	170	0	0	111.7	L459 L528 L529 L534 Q536 Y537	L459-E532 HydrophobicContact CD1-CB 4.21Å; L459-E532 HydrophobicContact CD1-CG 3.92Å; L528-E532 CarbonylContact C-O 3.56Å; L528-E532 VanDerWaalsContact CA-O 3.31Å; L528-E532 WeakPolarHBondContact CA-O 3.47Å; L529-E532 PolarHBondContact N-O 3.38Å; L529-E532 PolarHBondContact O-N 2.76Å; E532-L534 PolarHBondContact O-N 2.99Å; E532-Q536 PolarHBondContact OE2-OE1 3.38Å; E532-Y537 HydrophobicContact CB-CE2 3.8Å
533	P	94.1	Very high	93.3	Very high	32 Å²	32	48.9 Å²	48.9	21%	0.208	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137.1	176.4	-22.4	31.4	0	0	0	112.8	L528 V535 Q536	L528-P533 HydrophobicContact CD2-CB 4.16Å; L528-P533 HydrophobicContact CD2-CG 3.76Å; P533-V535 PolarHBondContact O-N 2.74Å; P533-Q536 HydrophobicContact CB-CG 4.3Å; P533-Q536 HydrophobicContact CG-CG 4.46Å; P533-Q536 WeakPolarHBondContact O-CB 3.5Å; P533-Q536 PolarHBondContact O-N 2.88Å
534	L	92.4	Very high	93.4	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.047	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-53.3	-31.6	-179.2	-75.4	-177.2	0	0	0	114.1	L527 L529 E532 Q536 Y537 L542	L527-L534 HydrophobicContact CB-CD1 4.33Å; L527-L534 HydrophobicContact CD2-CD1 3.38Å; L527-L534 HydrophobicContact CD2-CG 4.46Å; L527-L534 HydrophobicContact CG-CD1 3.57Å; L527-L534 HydrophobicContact CG-CG 4.15Å; L527-L534 PolarHBondContact O-N 3.42Å; L527-L534 VanDerWaalsContact O-N 3.14Å; L529-L534 HydrophobicContact CB-CD2 3.69Å; L529-L534 HydrophobicContact CD2-CD2 4.13Å; E532-L534 PolarHBondContact O-N 2.99Å; L534-Q536 PolarHBondContact O-N 2.94Å; L534-Y537 PolarHBondContact O-N 2.79Å; L534-L542 HydrophobicContact CD2-CD1 3.69Å; L534-L542 HydrophobicContact CD2-CD2 4.26Å
535	V	90.8	Very high	93.5	Very high	45 Å²	45	50.9 Å²	50.9	27%	0.273	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-62.8	-26.3	178.7	179.6	0	0	0	0	112.9	P454 G457 P533 Y537	P454-V535 HydrophobicContact CB-CG1 3.5Å; P454-V535 HydrophobicContact CG-CB 4.41Å; P454-V535 HydrophobicContact CG-CG1 3.49Å; P454-V535 VanDerWaalsContact CG-CG1 3.49Å; P454-V535 HydrophobicContact CG-CG2 4.05Å; G457-V535 PolarHBondContact N-O 3.28Å; P533-V535 PolarHBondContact O-N 2.74Å; V535-Y537 VanDerWaalsContact C-N 3.33Å
536	Q	93	Very high	93.6	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-79.7	-15.3	-178.4	-59.6	-167.8	24.3	0	0	113.5	G457 T458 L459 E532 P533 L534	G457-Q536 CarbonylContact C-O 3.5Å; G457-Q536 WeakPolarHBondContact CA-O 3.4Å; T458-Q536 PolarHBondContact N-O 3.12Å; T458-Q536 VanDerWaalsContact N-O 3.16Å; L459-Q536 WeakPolarHBondContact CB-O 3.27Å; L459-Q536 HydrophobicContact CD1-CB 4.44Å; L459-Q536 PolarHBondContact N-O 3.45Å; E532-Q536 PolarHBondContact OE2-OE1 3.38Å; P533-Q536 HydrophobicContact CB-CG 4.3Å; P533-Q536 HydrophobicContact CG-CG 4.46Å; P533-Q536 WeakPolarHBondContact O-CB 3.5Å; P533-Q536 PolarHBondContact O-N 2.88Å; L534-Q536 PolarHBondContact O-N 2.94Å
537	Y	93.9	Very high	93.7	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.031	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-75.9	146.2	178	-72.7	-94.4	0	0	0	112	G457 L459 P461 L464 L529 E532 L534 V535 H539 Y541	G457-Y537 PolarHBondContact N-O 2.96Å; L459-Y537 HydrophobicContact CB-CD1 4.43Å; L459-Y537 HydrophobicContact CD2-CD1 4.05Å; L459-Y537 HydrophobicContact CD2-CE1 3.7Å; L459-Y537 WeakPolarHBondContact O-CA 3.35Å; P461-Y537 HydrophobicContact CG-CE1 4.12Å; L464-Y537 HydrophobicContact CD1-CE1 3.86Å; L529-Y537 HydrophobicContact CB-CE2 3.94Å; L529-Y537 HydrophobicContact CD2-CE1 4.22Å; L529-Y537 HydrophobicContact CD2-CE2 4.25Å; L529-Y537 HydrophobicContact CG-CE2 4.45Å; L529-Y537 PolarHBondContact O-OH 2.72Å; E532-Y537 HydrophobicContact CB-CE2 3.8Å; L534-Y537 PolarHBondContact O-N 2.79Å; V535-Y537 VanDerWaalsContact C-N 3.33Å; Y537-H539 PolarHBondContact O-N 3.23Å; Y537-Y541 AromaticContact CD1-CD1 3.97Å; Y537-Y541 HydrophobicContact CD1-CD1 3.97Å; Y537-Y541 AromaticContact CD1-CE1 3.98Å; Y537-Y541 HydrophobicContact CD1-CE1 3.98Å; Y537-Y541 HydrophobicContact CE1-CE1 4.22Å
538	D	94	Very high	93.6	Very high	52 Å²	52	46.5 Å²	46.5	28%	0.278	23%	0.233	S	C	.	.			trans	-61.3	133.2	165.4	172.7	-94.6	0	0	0	109.6	G457 L459 A460 H540 Y541 L542	G457-D538 VanDerWaalsContact O-CA 3.31Å; G457-D538 WeakPolarHBondContact O-CA 3.47Å; L459-D538 PolarHBondContact O-N 3.24Å; A460-D538 HydrophobicContact CB-CB 4.48Å; D538-H540 PolarHBondContact O-N 2.69Å; D538-H540 WeakPolarHBondContact OD1-CB 3.39Å; D538-H540 PolarHBondContact OD1-N 3.44Å; D538-Y541 PolarHBondContact O-N 3.16Å; D538-Y541 PolarHBondContact OD1-N 2.99Å; D538-L542 WeakPolarHBondContact O-CB 3.26Å; D538-L542 PolarHBondContact O-N 2.71Å
539	H	89.8	Confident	93.5	Very high	93 Å²	93	46 Å²	46	43%	0.431	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-43.5	-173.8	177.7	81.4	0	0	0	112.3	Y537 L542 H543	Y537-H539 PolarHBondContact O-N 3.23Å; H539-L542 PolarHBondContact O-N 3.31Å; H539-H543 AromaticContact CD2-CD2 3.88Å; H539-H543 AromaticContact CE1-CD2 3.12Å; H539-H543 PolarHBondContact CE1-CD2 3.42Å; H539-H543 AromaticContact CE1-NE2 2.95Å; H539-H543 PolarHBondContact CE1-NE2 3.28Å; H539-H543 AromaticContact CG-CD2 3.79Å; H539-H543 AromaticContact ND1-CD2 3.31Å; H539-H543 PolarHBondContact ND1-CD2 3.35Å; H539-H543 VanDerWaalsContact ND1-CD2 3.31Å; H539-H543 AromaticContact ND1-NE2 3.29Å; H539-H543 PolarHBondContact ND1-NE2 2.88Å; H539-H543 AromaticContact NE2-CD2 3.48Å; H539-H543 PolarHBondContact NE2-CD2 3.42Å; H539-H543 AromaticContact NE2-NE2 3.72Å; H539-H543 PolarHBondContact O-CD2 3.43Å; H539-H543 PolarHBondContact O-N 3Å; H539-H543 VanDerWaalsContact O-N 3.08Å
540	H	90.8	Very high	93.1	Very high	153 Å²	153	47.1 Å²	47.1	71%	0.708	24%	0.242	S	C	*	.	H	α-helix	trans	-68.1	-39.6	179.6	-73.6	-64.1	0	0	0	111.7	D538 R544	D538-H540 PolarHBondContact O-N 2.69Å; D538-H540 WeakPolarHBondContact OD1-CB 3.39Å; D538-H540 PolarHBondContact OD1-N 3.44Å; H540-R544 PolarHBondContact O-N 3.37Å
541	Y	93.1	Very high	92.7	Very high	36 Å²	36	49.2 Å²	49.2	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-50.5	174.2	178.2	-88.4	0	0	0	111.4	A460 P461 L464 Y537 D538 H543 R544 Q545	A460-Y541 HydrophobicContact CB-CD1 4.43Å; A460-Y541 HydrophobicContact CB-CD2 3.71Å; A460-Y541 HydrophobicContact CB-CE2 4.33Å; A460-Y541 HydrophobicContact CB-CG 3.75Å; P461-Y541 VanDerWaalsContact CD-CZ 3.47Å; P461-Y541 WeakPolarHBondContact CD-OH 3.43Å; P461-Y541 HydrophobicContact CG-CE1 4.33Å; P461-Y541 VanDerWaalsContact O-CE2 3.24Å; P461-Y541 WeakPolarHBondContact O-CE2 3.29Å; P461-Y541 VanDerWaalsContact O-CZ 3.23Å; P461-Y541 PolarHBondContact O-OH 3.45Å; L464-Y541 HydrophobicContact CD1-CE1 3.99Å; Y537-Y541 AromaticContact CD1-CD1 3.97Å; Y537-Y541 HydrophobicContact CD1-CD1 3.97Å; Y537-Y541 AromaticContact CD1-CE1 3.98Å; Y537-Y541 HydrophobicContact CD1-CE1 3.98Å; Y537-Y541 HydrophobicContact CE1-CE1 4.22Å; D538-Y541 PolarHBondContact O-N 3.16Å; D538-Y541 PolarHBondContact OD1-N 2.99Å; Y541-H543 PolarHBondContact O-N 2.94Å; Y541-R544 WeakPolarHBondContact O-CB 3.37Å; Y541-R544 PolarHBondContact O-N 3.15Å; Y541-R544 VanDerWaalsContact O-N 3.08Å; Y541-Q545 HydrophobicContact CD1-CG 4.16Å; Y541-Q545 HydrophobicContact CE1-CG 3.59Å; Y541-Q545 HydrophobicContact CE2-CG 4.15Å; Y541-Q545 WeakPolarHBondContact O-CG 3.44Å; Y541-Q545 PolarHBondContact O-N 3.48Å; Y541-Q545 VanDerWaalsContact O-N 3.12Å
542	L	94.1	Very high	92.2	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-48.2	-178.7	-179.8	64.6	0	0	0	111.6	N518 L529 L534 D538 H539 R544 Q545 V546	N518-L542 HydrophobicContact CB-CD2 3.55Å; L529-L542 HydrophobicContact CD2-CD1 3.85Å; L534-L542 HydrophobicContact CD2-CD1 3.69Å; L534-L542 HydrophobicContact CD2-CD2 4.26Å; D538-L542 WeakPolarHBondContact O-CB 3.26Å; D538-L542 PolarHBondContact O-N 2.71Å; H539-L542 PolarHBondContact O-N 3.31Å; L542-R544 PolarHBondContact O-N 2.8Å; L542-Q545 PolarHBondContact O-N 2.93Å; L542-V546 HydrophobicContact CD1-CB 4.37Å; L542-V546 HydrophobicContact CD1-CG2 3.68Å; L542-V546 PolarHBondContact O-N 3.39Å
543	H	93.1	Very high	91.8	Very high	45 Å²	45	52.7 Å²	52.7	21%	0.208	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-8.1	-179.8	-75.4	-71.3	0	0	0	114.6	Q517 H539 Y541	Q517-H543 PolarHBondContact O-CE1 3.25Å; Q517-H543 PolarHBondContact O-NE2 2.97Å; H539-H543 AromaticContact CD2-CD2 3.88Å; H539-H543 AromaticContact CE1-CD2 3.12Å; H539-H543 PolarHBondContact CE1-CD2 3.42Å; H539-H543 AromaticContact CE1-NE2 2.95Å; H539-H543 PolarHBondContact CE1-NE2 3.28Å; H539-H543 AromaticContact CG-CD2 3.79Å; H539-H543 AromaticContact ND1-CD2 3.31Å; H539-H543 PolarHBondContact ND1-CD2 3.35Å; H539-H543 VanDerWaalsContact ND1-CD2 3.31Å; H539-H543 AromaticContact ND1-NE2 3.29Å; H539-H543 PolarHBondContact ND1-NE2 2.88Å; H539-H543 AromaticContact NE2-CD2 3.48Å; H539-H543 PolarHBondContact NE2-CD2 3.42Å; H539-H543 AromaticContact NE2-NE2 3.72Å; H539-H543 PolarHBondContact O-CD2 3.43Å; H539-H543 PolarHBondContact O-N 3Å; H539-H543 VanDerWaalsContact O-N 3.08Å; Y541-H543 PolarHBondContact O-N 2.94Å
544	R	92.9	Very high	91.5	Very high	137 Å²	137	55.5 Å²	55.5	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-86	-34.9	166.8	-170.8	176.4	177.8	172.6	2.6	111.5	H540 Y541 L542 R623	H540-R544 PolarHBondContact O-N 3.37Å; Y541-R544 WeakPolarHBondContact O-CB 3.37Å; Y541-R544 PolarHBondContact O-N 3.15Å; Y541-R544 VanDerWaalsContact O-N 3.08Å; L542-R544 PolarHBondContact O-N 2.8Å; R544-R623 HydrophobicContact CG-CB 4.27Å
545	Q	94.4	Very high	91.4	Very high	28 Å²	28	55.1 Å²	55.1	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-87	-32.6	-177.9	-61.9	-55.5	-29.3	0	0	114	L464 Y541 L542 P625 R626 V627	L464-Q545 HydrophobicContact CD2-CB 4.23Å; Y541-Q545 HydrophobicContact CD1-CG 4.16Å; Y541-Q545 HydrophobicContact CE1-CG 3.59Å; Y541-Q545 HydrophobicContact CE2-CG 4.15Å; Y541-Q545 WeakPolarHBondContact O-CG 3.44Å; Y541-Q545 PolarHBondContact O-N 3.48Å; Y541-Q545 VanDerWaalsContact O-N 3.12Å; L542-Q545 PolarHBondContact O-N 2.93Å; Q545-P625 VanDerWaalsContact O-CB 3.31Å; Q545-P625 WeakPolarHBondContact O-CB 3.3Å; Q545-R626 PolarHBondContact O-N 3.45Å; Q545-V627 PolarHBondContact O-N 3.27Å
546	V	95.3	Very high	91.5	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.2	-179.1	-174	0	0	0	0	109	L529 L542 V627 I629	L529-V546 HydrophobicContact CD2-CG2 4.27Å; L542-V546 HydrophobicContact CD1-CB 4.37Å; L542-V546 HydrophobicContact CD1-CG2 3.68Å; L542-V546 PolarHBondContact O-N 3.39Å; V546-V627 WeakPolarHBondContact CA-O 3.43Å; V546-V627 HydrophobicContact CB-CB 4.44Å; V546-V627 HydrophobicContact CG1-CB 4.27Å; V546-V627 HydrophobicContact CG1-CG1 4.27Å; V546-V627 HydrophobicContact CG2-CB 4.08Å; V546-V627 HydrophobicContact CG2-CG2 4.28Å; V546-I629 HydrophobicContact CG1-CD1 4.08Å
547	V	94.9	Very high	91.3	Very high	12 Å²	12	57 Å²	57	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135	-171.7	-176.6	0	0	0	0	111	A620 R623 P625 V627 I629	V547-A620 HydrophobicContact CB-CB 4.42Å; V547-A620 HydrophobicContact CG1-CB 3.48Å; V547-A620 VanDerWaalsContact CG1-CB 3.48Å; V547-R623 HydrophobicContact CG2-CB 4.46Å; V547-P625 HydrophobicContact CB-CB 4.09Å; V547-P625 HydrophobicContact CB-CG 4.24Å; V547-P625 HydrophobicContact CG2-CB 3.71Å; V547-P625 HydrophobicContact CG2-CG 4.17Å; V547-V627 PolarHBondContact N-O 2.9Å; V547-I629 PolarHBondContact O-N 3.46Å
548	L	93.9	Very high	91.2	Very high	49 Å²	49	57 Å²	57	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.3	176.2	175.8	66.1	0	0	0	110.4	A513 Q517 I629 D631	A513-L548 HydrophobicContact CB-CD1 4.09Å; A513-L548 HydrophobicContact CB-CD2 4.38Å; Q517-L548 HydrophobicContact CG-CB 4.27Å; L548-I629 CarbonylContact C-O 3.55Å; L548-I629 WeakPolarHBondContact CA-O 3.45Å; L548-I629 HydrophobicContact CB-CB 4.41Å; L548-I629 HydrophobicContact CD1-CB 3.73Å; L548-I629 HydrophobicContact CD1-CG2 3.48Å; L548-I629 VanDerWaalsContact CD1-CG2 3.48Å; L548-D631 HydrophobicContact CD1-CB 4.13Å
549	V	93.2	Very high	91.2	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108.7	159.2	-171.6	0	0	0	0	107.3	A616 I617 A620 L628 I629 L630 D631 A633	V549-A616 HydrophobicContact CG1-CB 4.01Å; V549-I617 HydrophobicContact CG1-CG1 3.94Å; V549-I617 HydrophobicContact CG2-CG1 4.24Å; V549-A620 HydrophobicContact CG2-CB 3.61Å; V549-L628 HydrophobicContact CG2-CD1 4.31Å; V549-I629 PolarHBondContact N-O 3.49Å; V549-L630 HydrophobicContact CB-CD2 3.84Å; V549-L630 HydrophobicContact CG2-CD2 3.73Å; V549-D631 PolarHBondContact O-N 3.24Å; V549-A633 HydrophobicContact CB-CB 3.9Å; V549-A633 HydrophobicContact CG1-CB 3.48Å; V549-A633 VanDerWaalsContact CG1-CB 3.48Å
550	G	89.1	Confident	91.5	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	26%	0.257	C	S	.	.			trans	-77.5	161.5	-179.3	0	0	0	0	0	113.1	E552 D631	G550-E552 PolarHBondContact O-N 2.89Å; G550-D631 CarbonylContact C-O 3.6Å
551	Q	85.1	Confident	91.7	Very high	91 Å²	91	45.8 Å²	45.8	43%	0.425	23%	0.234	S	C	.	.	S	Bend	trans	-56.4	-47.5	179.1	-177	-179	21.1	0	0	112.5	P553 Q613 D631 E632	Q551-P553 VanDerWaalsContact O-CD 3.26Å; Q551-P553 WeakPolarHBondContact O-CD 3.44Å; Q551-Q613 PolarHBondContact O-NE2 3.41Å; Q551-Q613 VanDerWaalsContact O-NE2 3.07Å; Q551-D631 WeakPolarHBondContact CA-O 3.44Å; Q551-D631 PolarHBondContact N-O 2.89Å; Q551-D631 VanDerWaalsContact N-O 3.08Å; Q551-E632 HydrophobicContact CB-CB 4.39Å; Q551-E632 HydrophobicContact CG-CB 4.06Å; Q551-E632 VanDerWaalsContact NE2-CD 3.29Å; Q551-E632 PolarHBondContact NE2-OE2 3.35Å
552	E	83.9	Confident	91.7	Very high	170 Å²	170	48.3 Å²	48.3	79%	0.794	25%	0.25	S	S	*	.	S	Bend	trans	-110.4	87.8	173.9	-67.7	-173	174.4	0	0	110	G550 V554	G550-E552 PolarHBondContact O-N 2.89Å; E552-V554 PolarHBondContact O-N 3.09Å
553	P	85.4	Confident	91.7	Very high	26 Å²	26	48.3 Å²	48.3	17%	0.169	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-68	128	-178	24.6	-31.8	0	0	0	111.4	Q551 K612 Q613 A616	Q551-P553 VanDerWaalsContact O-CD 3.26Å; Q551-P553 WeakPolarHBondContact O-CD 3.44Å; P553-K612 HydrophobicContact CG-CB 4.24Å; P553-Q613 HydrophobicContact CG-CG 3.98Å; P553-A616 HydrophobicContact CB-CB 3.32Å; P553-A616 HydrophobicContact CG-CB 3.89Å
554	V	88.3	Confident	91.9	Very high	90 Å²	90	46.2 Å²	46.2	55%	0.545	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-87.4	120.7	174.3	-176.1	0	0	0	0	109.4	E552 R619	E552-V554 PolarHBondContact O-N 3.09Å; V554-R619 PolarHBondContact O-NH1 3.03Å
555	L	91.5	Very high	91.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-100.3	151.2	172.1	-58.9	176.4	0	0	0	109.8	I600 K603 L607 K612 L615 R619	L555-I600 HydrophobicContact CB-CD1 3.93Å; L555-I600 HydrophobicContact CD1-CD1 3.8Å; L555-I600 HydrophobicContact CG-CD1 4.39Å; L555-K603 VanDerWaalsContact O-CA 3.31Å; L555-K603 WeakPolarHBondContact O-CA 3.2Å; L555-L607 HydrophobicContact CD1-CD1 3.78Å; L555-K612 HydrophobicContact CD1-CB 4.01Å; L555-K612 HydrophobicContact CD1-CD 4.46Å; L555-K612 HydrophobicContact CD1-CG 3.86Å; L555-L615 HydrophobicContact CD1-CD2 3.82Å; L555-L615 HydrophobicContact CD2-CD2 4.01Å; L555-L615 HydrophobicContact CD2-CG 4.47Å; L555-R619 VanDerWaalsContact CD2-NH2 3.33Å
556	F	91.6	Very high	91.9	Very high	91 Å²	91	44.4 Å²	44.4	40%	0.399	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-100.3	153.7	177.3	-66.7	-80.5	0	0	0	109.9	N563 Y566	F556-N563 PolarHBondContact N-OD1 2.97Å; F556-N563 PolarHBondContact O-ND2 3.1Å; F556-N563 PolarHBondContact O-OD1 2.97Å; F556-Y566 AromaticContact CD2-CD2 3.89Å; F556-Y566 HydrophobicContact CD2-CD2 3.89Å; F556-Y566 HydrophobicContact CD2-CE1 4.39Å; F556-Y566 AromaticContact CD2-CE2 3.59Å; F556-Y566 HydrophobicContact CD2-CE2 3.59Å; F556-Y566 HydrophobicContact CD2-CG 4.4Å; F556-Y566 AromaticContact CD2-CZ 3.87Å; F556-Y566 HydrophobicContact CE2-CD1 4.31Å; F556-Y566 HydrophobicContact CE2-CD2 4.24Å; F556-Y566 AromaticContact CE2-CE1 3.77Å; F556-Y566 HydrophobicContact CE2-CE1 3.77Å; F556-Y566 AromaticContact CE2-CE2 3.69Å; F556-Y566 HydrophobicContact CE2-CE2 3.69Å; F556-Y566 AromaticContact CE2-CZ 3.42Å; F556-Y566 VanDerWaalsContact CE2-CZ 3.42Å; F556-Y566 HydrophobicContact CG-CE2 4.19Å; F556-Y566 HydrophobicContact CZ-CE1 4.44Å; F556-Y566 HydrophobicContact CZ-CE2 4.36Å; F556-Y566 AromaticContact CZ-CZ 3.89Å
557	S	90.1	Very high	91.6	Very high	82 Å²	82	47.7 Å²	47.7	57%	0.573	27%	0.271	S	S	*	.	S	Bend	trans	-59.1	137.8	168.7	-52.3	0	0	0	0	109.8	E602	S557-E602 WeakPolarHBondContact OG-CA 3.3Å
558	G	91.4	Very high	91.4	Very high	10 Å²	10	49.3 Å²	49.3	10%	0.103	28%	0.279	C	S	.	.	S	Bend	trans	136.8	-173	-172.4	0	0	0	0	0	110.9	E599 I600	G558-E599 WeakPolarHBondContact CA-OE2 3.2Å; G558-E599 PolarHBondContact N-OE2 3.27Å; G558-I600 WeakPolarHBondContact O-CG1 3.37Å; G558-I600 PolarHBondContact O-N 3.14Å; G558-I600 VanDerWaalsContact O-N 3.11Å
559	S	93.9	Very high	90.9	Very high	7 Å²	7	58 Å²	58	5%	0.049	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-75.3	165.9	179.9	69.2	0	0	0	0	113.2	K561 D562 N563 T598	S559-K561 VanDerWaalsContact C-N 3.25Å; S559-K561 PolarHBondContact O-N 3.29Å; S559-K561 PolarHBondContact OG-N 3.14Å; S559-D562 WeakPolarHBondContact CB-OD2 3.49Å; S559-D562 PolarHBondContact N-OD2 3.17Å; S559-D562 PolarHBondContact O-N 3.34Å; S559-D562 PolarHBondContact OG-N 2.97Å; S559-D562 VanDerWaalsContact OG-N 3.07Å; S559-D562 PolarHBondContact OG-OD2 2.85Å; S559-N563 PolarHBondContact O-N 3.38Å; S559-N563 VanDerWaalsContact O-N 3.1Å; S559-N563 PolarHBondContact O-ND2 2.91Å; S559-T598 CarbonylContact C-O 3.4Å; S559-T598 VanDerWaalsContact CA-O 3.25Å; S559-T598 WeakPolarHBondContact CA-O 3.37Å
560	V	95.1	Very high	90.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-52.6	-45.7	167.5	166.3	0	0	0	0	110.6	N563 I564 I589 M592 I596 T598 I600 L615	V560-N563 PolarHBondContact O-N 3.01Å; V560-I564 HydrophobicContact CG1-CD1 3.94Å; V560-I564 WeakPolarHBondContact O-CG1 3.47Å; V560-I564 PolarHBondContact O-N 3.23Å; V560-I589 HydrophobicContact CG1-CD1 3.66Å; V560-I589 HydrophobicContact CG1-CG1 3.98Å; V560-M592 HydrophobicContact CG2-SD 4.04Å; V560-I596 WeakPolarHBondContact CB-O 3.33Å; V560-I596 PolarHBondContact N-O 3.3Å; V560-T598 PolarHBondContact N-O 2.78Å; V560-I600 HydrophobicContact CG2-CG2 3.6Å; V560-L615 HydrophobicContact CG1-CD1 3.76Å
561	K	95	Very high	90.3	Very high	55 Å²	55	65.3 Å²	65.3	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-49.2	176.8	177.1	179.2	171.3	176.3	0	112	S559 N563 I564 A565 D573 V576 I596	S559-K561 VanDerWaalsContact C-N 3.25Å; S559-K561 PolarHBondContact O-N 3.29Å; S559-K561 PolarHBondContact OG-N 3.14Å; K561-N563 PolarHBondContact O-N 3.28Å; K561-I564 PolarHBondContact O-N 3.39Å; K561-A565 WeakPolarHBondContact O-CB 3.45Å; K561-A565 PolarHBondContact O-N 3.05Å; K561-D573 WeakPolarHBondContact CD-OD1 3.43Å; K561-D573 WeakPolarHBondContact CE-OD1 3.46Å; K561-D573 IonicContact NZ-OD1 3.99Å; K561-D573 PolarHBondContact NZ-OD1 2.94Å; K561-D573 IonicContact NZ-OD2 3.89Å; K561-V576 HydrophobicContact CG-CG2 4.39Å; K561-I596 HydrophobicContact CB-CB 4.27Å; K561-I596 WeakPolarHBondContact CB-O 3.23Å; K561-I596 HydrophobicContact CD-CD1 4.43Å; K561-I596 PolarHBondContact N-O 3.18Å
562	D	93.9	Very high	90.7	Very high	88 Å²	88	67.1 Å²	67.1	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-34.6	-179.8	-60.7	-39.9	0	0	0	111.5	S559 Y566	S559-D562 WeakPolarHBondContact CB-OD2 3.49Å; S559-D562 PolarHBondContact N-OD2 3.17Å; S559-D562 PolarHBondContact O-N 3.34Å; S559-D562 PolarHBondContact OG-N 2.97Å; S559-D562 VanDerWaalsContact OG-N 3.07Å; S559-D562 PolarHBondContact OG-OD2 2.85Å; D562-Y566 WeakPolarHBondContact O-CA 3.5Å; D562-Y566 WeakPolarHBondContact O-CB 3.27Å; D562-Y566 PolarHBondContact O-N 2.67Å; D562-Y566 VanDerWaalsContact O-N 3.09Å
563	N	94.7	Very high	91.1	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.011	33%	0.331	C	S	.	.	H	α-helix	trans	-73.7	-40.7	177.4	-84.8	-86.4	0	0	0	112.7	F556 S559 V560 K561 Y566 I600 L615 R619	F556-N563 PolarHBondContact N-OD1 2.97Å; F556-N563 PolarHBondContact O-ND2 3.1Å; F556-N563 PolarHBondContact O-OD1 2.97Å; S559-N563 PolarHBondContact O-N 3.38Å; S559-N563 VanDerWaalsContact O-N 3.1Å; S559-N563 PolarHBondContact O-ND2 2.91Å; V560-N563 PolarHBondContact O-N 3.01Å; K561-N563 PolarHBondContact O-N 3.28Å; N563-Y566 WeakPolarHBondContact O-CB 3.38Å; N563-I600 HydrophobicContact CB-CD1 4.32Å; N563-I600 WeakPolarHBondContact ND2-CD1 3.2Å; N563-L615 HydrophobicContact CB-CD2 4.13Å; N563-R619 PolarHBondContact O-NE 2.93Å; N563-R619 PolarHBondContact O-NH2 3.15Å; N563-R619 PolarHBondContact OD1-NH2 3.17Å
564	I	95.3	Very high	91.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-50.1	177	-66.1	169.1	0	0	0	110	V560 K561 Y566 V576 A580 L615 A618 V622	V560-I564 HydrophobicContact CG1-CD1 3.94Å; V560-I564 WeakPolarHBondContact O-CG1 3.47Å; V560-I564 PolarHBondContact O-N 3.23Å; K561-I564 PolarHBondContact O-N 3.39Å; I564-Y566 PolarHBondContact O-N 3.42Å; I564-V576 HydrophobicContact CB-CG1 4.02Å; I564-V576 HydrophobicContact CD1-CG1 3.65Å; I564-V576 HydrophobicContact CG1-CG1 4.43Å; I564-V576 HydrophobicContact CG2-CB 4.49Å; I564-V576 HydrophobicContact CG2-CG1 3.98Å; I564-V576 HydrophobicContact CG2-CG2 4.44Å; I564-A580 HydrophobicContact CD1-CB 4.38Å; I564-L615 HydrophobicContact CD1-CD1 3.61Å; I564-L615 HydrophobicContact CG1-CD1 3.48Å; I564-L615 VanDerWaalsContact CG1-CD1 3.48Å; I564-L615 HydrophobicContact CG1-CG 4.28Å; I564-A618 HydrophobicContact CD1-CB 4.14Å; I564-A618 HydrophobicContact CG1-CB 4.09Å; I564-A618 HydrophobicContact CG2-CB 4.47Å; I564-V622 HydrophobicContact CG2-CB 4Å; I564-V622 HydrophobicContact CG2-CG1 3.86Å; I564-V622 HydrophobicContact CG2-CG2 4.37Å; I564-V622 WeakPolarHBondContact O-CG1 3.39Å
565	A	94.7	Very high	91.7	Very high	15 Å²	15	65 Å²	65	12%	0.124	35%	0.347	C	S	.	.	S	Bend	trans	-79.5	5.6	-177.3	0	0	0	0	0	114.2	K561 G567 L568 C571 V576	K561-A565 WeakPolarHBondContact O-CB 3.45Å; K561-A565 PolarHBondContact O-N 3.05Å; A565-G567 PolarHBondContact O-N 2.85Å; A565-L568 WeakPolarHBondContact O-CB 3.36Å; A565-L568 PolarHBondContact O-N 3.45Å; A565-C571 HydrophobicContact CB-CB 3.78Å; A565-V576 HydrophobicContact CB-CG2 4.39Å
566	Y	93.6	Very high	91.9	Very high	112 Å²	112	64.9 Å²	64.9	44%	0.439	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	124.1	-175	-176.1	-101.1	0	0	0	111.9	F556 D562 N563 I564 L568 R623	F556-Y566 AromaticContact CD2-CD2 3.89Å; F556-Y566 HydrophobicContact CD2-CD2 3.89Å; F556-Y566 HydrophobicContact CD2-CE1 4.39Å; F556-Y566 AromaticContact CD2-CE2 3.59Å; F556-Y566 HydrophobicContact CD2-CE2 3.59Å; F556-Y566 HydrophobicContact CD2-CG 4.4Å; F556-Y566 AromaticContact CD2-CZ 3.87Å; F556-Y566 HydrophobicContact CE2-CD1 4.31Å; F556-Y566 HydrophobicContact CE2-CD2 4.24Å; F556-Y566 AromaticContact CE2-CE1 3.77Å; F556-Y566 HydrophobicContact CE2-CE1 3.77Å; F556-Y566 AromaticContact CE2-CE2 3.69Å; F556-Y566 HydrophobicContact CE2-CE2 3.69Å; F556-Y566 AromaticContact CE2-CZ 3.42Å; F556-Y566 VanDerWaalsContact CE2-CZ 3.42Å; F556-Y566 HydrophobicContact CG-CE2 4.19Å; F556-Y566 HydrophobicContact CZ-CE1 4.44Å; F556-Y566 HydrophobicContact CZ-CE2 4.36Å; F556-Y566 AromaticContact CZ-CZ 3.89Å; D562-Y566 WeakPolarHBondContact O-CA 3.5Å; D562-Y566 WeakPolarHBondContact O-CB 3.27Å; D562-Y566 PolarHBondContact O-N 2.67Å; D562-Y566 VanDerWaalsContact O-N 3.09Å; N563-Y566 WeakPolarHBondContact O-CB 3.38Å; I564-Y566 PolarHBondContact O-N 3.42Å; Y566-L568 VanDerWaalsContact C-N 3.26Å; Y566-L568 PolarHBondContact O-N 2.85Å; Y566-R623 PolarHBondContact O-NH2 3.35Å
567	G	88.6	Confident	92	Very high	73 Å²	73	63.6 Å²	63.6	75%	0.753	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-0.4	178.7	0	0	0	0	0	116.1	A565	A565-G567 PolarHBondContact O-N 2.85Å
568	L	90.4	Very high	92.1	Very high	46 Å²	46	62.2 Å²	62.2	24%	0.241	34%	0.337	C	S	.	.			trans	-94.2	145.3	168	-64.5	174.3	0	0	0	110	A565 Y566 C571 V622 R623	A565-L568 WeakPolarHBondContact O-CB 3.36Å; A565-L568 PolarHBondContact O-N 3.45Å; Y566-L568 VanDerWaalsContact C-N 3.26Å; Y566-L568 PolarHBondContact O-N 2.85Å; L568-C571 HydrophobicContact CB-CB 4.46Å; L568-V622 HydrophobicContact CD1-CG1 3.77Å; L568-V622 HydrophobicContact CD1-CG2 4.25Å; L568-R623 HydrophobicContact CD1-CG 4.14Å; L568-R623 HydrophobicContact CD2-CG 4.2Å; L568-R623 HydrophobicContact CG-CG 4.43Å
569	R	84.3	Confident	92.1	Very high	232 Å²	232	62.1 Å²	62.1	88%	0.875	34%	0.335	S	S	*	.	S	Bend	trans	-94.9	138.4	171.4	-63.8	-175.4	-177.1	179.9	1.6	108.9	C571	R569-C571 PolarHBondContact O-N 3.33Å
570	D	80.1	Confident	92.1	Very high	162 Å²	162	61.8 Å²	61.8	87%	0.866	33%	0.332	S	S	*	.	S	Bend	trans	53.1	46.8	170.6	-50.3	-45.8	0	0	0	114.2
571	C	89.4	Confident	91.9	Very high	18 Å²	18	67 Å²	67	12%	0.122	36%	0.357	C	S	.	.			trans	-78.2	121.9	175.9	-168.7	0	0	0	0	110.6	A565 L568 R569	A565-C571 HydrophobicContact CB-CB 3.78Å; L568-C571 HydrophobicContact CB-CB 4.46Å; R569-C571 PolarHBondContact O-N 3.33Å
572	E	92.7	Very high	91.6	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.603	35%	0.353	S	S	*	.			trans	-72.5	147.8	178	-66.2	-174.4	170.7	0	0	111.9	A574 Q575 V576	E572-A574 PolarHBondContact O-N 3.37Å; E572-Q575 HydrophobicContact CB-CG 4.4Å; E572-Q575 WeakPolarHBondContact O-CB 3.49Å; E572-Q575 PolarHBondContact O-N 3.39Å; E572-V576 PolarHBondContact O-N 3.49Å
573	D	93.7	Very high	91.4	Very high	68 Å²	68	61.3 Å²	61.3	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-32.3	179	-69.1	-2.9	0	0	0	112.1	K561 Q575 V576 M577 I596	K561-D573 WeakPolarHBondContact CD-OD1 3.43Å; K561-D573 WeakPolarHBondContact CE-OD1 3.46Å; K561-D573 IonicContact NZ-OD1 3.99Å; K561-D573 PolarHBondContact NZ-OD1 2.94Å; K561-D573 IonicContact NZ-OD2 3.89Å; D573-Q575 VanDerWaalsContact C-N 3.33Å; D573-Q575 PolarHBondContact O-N 3.46Å; D573-V576 PolarHBondContact O-N 3.05Å; D573-M577 WeakPolarHBondContact O-CB 3.43Å; D573-M577 WeakPolarHBondContact O-CG 3.35Å; D573-M577 PolarHBondContact O-N 2.9Å; D573-I596 HydrophobicContact CB-CD1 3.95Å
574	A	93.6	Very high	91.2	Very high	69 Å²	69	62 Å²	62	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-39.3	175.4	0	0	0	0	0	112.3	E572 M577 A578	E572-A574 PolarHBondContact O-N 3.37Å; A574-M577 PolarHBondContact O-N 3.26Å; A574-A578 WeakPolarHBondContact O-CB 3.36Å; A574-A578 PolarHBondContact O-N 3.31Å
575	Q	93.2	Very high	91	Very high	103 Å²	103	62 Å²	62	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-69.7	-39.2	176.9	-65.3	177.9	-18.6	0	0	111.2	E572 D573 A578 A579 V622	E572-Q575 HydrophobicContact CB-CG 4.4Å; E572-Q575 WeakPolarHBondContact O-CB 3.49Å; E572-Q575 PolarHBondContact O-N 3.39Å; D573-Q575 VanDerWaalsContact C-N 3.33Å; D573-Q575 PolarHBondContact O-N 3.46Å; Q575-A578 PolarHBondContact O-N 3.46Å; Q575-A579 WeakPolarHBondContact O-CB 3.43Å; Q575-A579 PolarHBondContact O-N 3.45Å; Q575-V622 HydrophobicContact CB-CG2 4.36Å
576	V	94.8	Very high	90.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.4	174.6	0	0	0	0	110.6	K561 I564 A565 E572 D573 A579 A580 I596	K561-V576 HydrophobicContact CG-CG2 4.39Å; I564-V576 HydrophobicContact CB-CG1 4.02Å; I564-V576 HydrophobicContact CD1-CG1 3.65Å; I564-V576 HydrophobicContact CG1-CG1 4.43Å; I564-V576 HydrophobicContact CG2-CB 4.49Å; I564-V576 HydrophobicContact CG2-CG1 3.98Å; I564-V576 HydrophobicContact CG2-CG2 4.44Å; A565-V576 HydrophobicContact CB-CG2 4.39Å; E572-V576 PolarHBondContact O-N 3.49Å; D573-V576 PolarHBondContact O-N 3.05Å; V576-A579 PolarHBondContact O-N 2.98Å; V576-A580 WeakPolarHBondContact O-CB 3.35Å; V576-A580 PolarHBondContact O-N 3.3Å; V576-I596 HydrophobicContact CG1-CG2 4.42Å
577	M	93.5	Very high	90.7	Very high	64 Å²	64	62.8 Å²	62.8	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-41.8	178.2	-73.7	-58	-59.9	0	0	112.6	D573 A574 A579 A580 Q581 I596	D573-M577 WeakPolarHBondContact O-CB 3.43Å; D573-M577 WeakPolarHBondContact O-CG 3.35Å; D573-M577 PolarHBondContact O-N 2.9Å; A574-M577 PolarHBondContact O-N 3.26Å; M577-A579 VanDerWaalsContact C-N 3.31Å; M577-A579 PolarHBondContact O-N 3.21Å; M577-A580 WeakPolarHBondContact O-CB 3.3Å; M577-A580 PolarHBondContact O-N 2.68Å; M577-Q581 WeakPolarHBondContact O-CG 3.45Å; M577-Q581 PolarHBondContact O-N 3.32Å; M577-I596 HydrophobicContact CG-CG2 4.4Å; M577-I596 HydrophobicContact SD-CG2 3.32Å; M577-I596 WeakPolarHBondContact SD-CG2 3.48Å
578	A	91.4	Very high	90.8	Very high	54 Å²	54	59.7 Å²	59.7	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-40.2	175.9	0	0	0	0	0	111.8	A574 Q575 Q581 A582	A574-A578 WeakPolarHBondContact O-CB 3.36Å; A574-A578 PolarHBondContact O-N 3.31Å; Q575-A578 PolarHBondContact O-N 3.46Å; A578-Q581 PolarHBondContact O-N 3.32Å; A578-A582 WeakPolarHBondContact O-CB 3.4Å; A578-A582 PolarHBondContact O-N 3.16Å
579	A	92.8	Very high	90.9	Very high	7 Å²	7	57.6 Å²	57.6	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-36.4	174.8	0	0	0	0	0	112.5	Q575 V576 M577 A583 L621 V622	Q575-A579 WeakPolarHBondContact O-CB 3.43Å; Q575-A579 PolarHBondContact O-N 3.45Å; V576-A579 PolarHBondContact O-N 2.98Å; M577-A579 VanDerWaalsContact C-N 3.31Å; M577-A579 PolarHBondContact O-N 3.21Å; A579-A583 WeakPolarHBondContact O-CB 3.49Å; A579-A583 PolarHBondContact O-N 3.19Å; A579-L621 HydrophobicContact CB-CB 4.35Å; A579-V622 HydrophobicContact CB-CB 3.65Å; A579-V622 HydrophobicContact CB-CG2 4.23Å
580	A	93.6	Very high	91.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-45.1	174.1	0	0	0	0	0	111.5	I564 V576 M577 A583 C584 A585 I589	I564-A580 HydrophobicContact CD1-CB 4.38Å; V576-A580 WeakPolarHBondContact O-CB 3.35Å; V576-A580 PolarHBondContact O-N 3.3Å; M577-A580 WeakPolarHBondContact O-CB 3.3Å; M577-A580 PolarHBondContact O-N 2.68Å; A580-A583 CarbonylContact O-C 3.11Å; A580-A583 PolarHBondContact O-N 3.04Å; A580-A583 VanDerWaalsContact O-N 3.12Å; A580-C584 PolarHBondContact O-N 3.44Å; A580-C584 VanDerWaalsContact O-N 3.08Å; A580-A585 HydrophobicContact CB-CB 4.22Å; A580-A585 PolarHBondContact O-N 2.9Å; A580-I589 HydrophobicContact CB-CD1 3.96Å
581	Q	91.4	Very high	91.8	Very high	109 Å²	109	49.7 Å²	49.7	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.2	-75	177.9	-18.7	0	0	112.2	M577 A578 A583 C584 D586	M577-Q581 WeakPolarHBondContact O-CG 3.45Å; M577-Q581 PolarHBondContact O-N 3.32Å; A578-Q581 PolarHBondContact O-N 3.32Å; Q581-A583 PolarHBondContact O-N 3.44Å; Q581-A583 VanDerWaalsContact O-N 3.13Å; Q581-C584 PolarHBondContact O-N 2.99Å; Q581-D586 HydrophobicContact CG-CB 3.79Å
582	A	87.6	Confident	92	Very high	21 Å²	21	50.8 Å²	50.8	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-19.2	177.1	0	0	0	0	0	113.4	A578 L621	A578-A582 WeakPolarHBondContact O-CB 3.4Å; A578-A582 PolarHBondContact O-N 3.16Å; A582-L621 HydrophobicContact CB-CD1 3.65Å
583	A	90.2	Very high	91.8	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	7	175.4	0	0	0	0	0	113.6	A579 A580 Q581 A585 R614 I617 A618 L621	A579-A583 WeakPolarHBondContact O-CB 3.49Å; A579-A583 PolarHBondContact O-N 3.19Å; A580-A583 CarbonylContact O-C 3.11Å; A580-A583 PolarHBondContact O-N 3.04Å; A580-A583 VanDerWaalsContact O-N 3.12Å; Q581-A583 PolarHBondContact O-N 3.44Å; Q581-A583 VanDerWaalsContact O-N 3.13Å; A583-A585 PolarHBondContact O-N 3.45Å; A583-R614 WeakPolarHBondContact CB-O 3.3Å; A583-R614 WeakPolarHBondContact O-CG 3.32Å; A583-I617 HydrophobicContact CB-CB 4.03Å; A583-I617 HydrophobicContact CB-CG2 3.77Å; A583-A618 HydrophobicContact CB-CB 3.83Å; A583-L621 HydrophobicContact CB-CD1 4.26Å
584	C	90.1	Very high	91.7	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.108	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	33.7	-171.2	-58	0	0	0	0	114.2	A580 Q581 R614 C641	A580-C584 PolarHBondContact O-N 3.44Å; A580-C584 VanDerWaalsContact O-N 3.08Å; Q581-C584 PolarHBondContact O-N 2.99Å; C584-R614 VanDerWaalsContact O-CD 3.32Å; C584-R614 WeakPolarHBondContact O-CD 2.95Å; C584-R614 PolarHBondContact O-NH1 3.17Å; C584-C641 HydrophobicContact CB-CB 3.89Å; C584-C641 WeakPolarHBondContact CB-SG 3.41Å; C584-C641 WeakPolarHBondContact SG-CA 3.41Å; C584-C641 WeakPolarHBondContact SG-CB 3.43Å; C584-C641 CovalentContact SG-SG 2.02Å; C584-C641 PolarHBondContact SG-SG 3.08Å
585	A	91.2	Very high	91.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.			trans	-91	-13.4	177.2	0	0	0	0	0	112.1	A580 A583 D587 F588 I589 R614	A580-A585 HydrophobicContact CB-CB 4.22Å; A580-A585 PolarHBondContact O-N 2.9Å; A583-A585 PolarHBondContact O-N 3.45Å; A585-D587 VanDerWaalsContact C-N 3.34Å; A585-D587 PolarHBondContact O-N 2.89Å; A585-F588 HydrophobicContact CB-CE1 3.66Å; A585-F588 HydrophobicContact CB-CZ 4.04Å; A585-F588 WeakPolarHBondContact O-CD1 3.36Å; A585-F588 WeakPolarHBondContact O-CE1 3.43Å; A585-I589 HydrophobicContact CB-CD1 3.85Å; A585-I589 WeakPolarHBondContact O-CB 3.31Å; A585-I589 VanDerWaalsContact O-CD1 3.22Å; A585-I589 WeakPolarHBondContact O-CD1 3.34Å; A585-I589 WeakPolarHBondContact O-CG1 3.46Å; A585-I589 PolarHBondContact O-N 3.4Å; A585-I589 VanDerWaalsContact O-N 3.17Å; A585-R614 HydrophobicContact CB-CB 4.23Å
586	D	91.5	Very high	91.7	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-34.2	-175.9	58.2	-49.6	0	0	0	113.6	Q581 I589 G590	Q581-D586 HydrophobicContact CG-CB 3.79Å; D586-I589 PolarHBondContact O-N 3.33Å; D586-G590 PolarHBondContact O-N 3.21Å
587	D	89.8	Confident	91.7	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-60.4	178.9	-56	-29.4	0	0	0	111.9	A585 I589 G590 E591	A585-D587 VanDerWaalsContact C-N 3.34Å; A585-D587 PolarHBondContact O-N 2.89Å; D587-I589 VanDerWaalsContact C-N 3.31Å; D587-I589 PolarHBondContact O-N 3.07Å; D587-G590 PolarHBondContact O-N 3.46Å; D587-E591 PolarHBondContact O-N 2.99Å
588	F	90.7	Very high	91.8	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-73.8	-26.6	-176.8	77.8	-98.1	0	0	0	111.8	A585 G590 E591 M592 L607 Q611 R614	A585-F588 HydrophobicContact CB-CE1 3.66Å; A585-F588 HydrophobicContact CB-CZ 4.04Å; A585-F588 WeakPolarHBondContact O-CD1 3.36Å; A585-F588 WeakPolarHBondContact O-CE1 3.43Å; F588-G590 VanDerWaalsContact C-N 3.32Å; F588-E591 PolarHBondContact O-N 2.97Å; F588-M592 HydrophobicContact CD2-CE 3.63Å; F588-M592 HydrophobicContact CE2-CE 3.79Å; F588-M592 WeakPolarHBondContact O-CG 3.24Å; F588-M592 PolarHBondContact O-N 2.71Å; F588-L607 HydrophobicContact CE2-CD2 4.18Å; F588-Q611 HydrophobicContact CD1-CB 4.41Å; F588-Q611 HydrophobicContact CD1-CG 3.9Å; F588-Q611 HydrophobicContact CD2-CB 4.42Å; F588-Q611 HydrophobicContact CD2-CG 4.08Å; F588-Q611 HydrophobicContact CE1-CB 4.03Å; F588-Q611 HydrophobicContact CE1-CG 4.03Å; F588-Q611 HydrophobicContact CE2-CB 4.08Å; F588-Q611 HydrophobicContact CE2-CG 4.24Å; F588-Q611 HydrophobicContact CG-CG 3.91Å; F588-Q611 HydrophobicContact CZ-CB 3.87Å; F588-Q611 HydrophobicContact CZ-CG 4.21Å; F588-R614 HydrophobicContact CE1-CB 4.36Å
589	I	93.8	Very high	91.9	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-39.7	172	-70.1	168.4	0	0	0	109.5	V560 A580 A585 D586 D587 E591 M592 G595 I596 L615	V560-I589 HydrophobicContact CG1-CD1 3.66Å; V560-I589 HydrophobicContact CG1-CG1 3.98Å; A580-I589 HydrophobicContact CB-CD1 3.96Å; A585-I589 HydrophobicContact CB-CD1 3.85Å; A585-I589 WeakPolarHBondContact O-CB 3.31Å; A585-I589 VanDerWaalsContact O-CD1 3.22Å; A585-I589 WeakPolarHBondContact O-CD1 3.34Å; A585-I589 WeakPolarHBondContact O-CG1 3.46Å; A585-I589 PolarHBondContact O-N 3.4Å; A585-I589 VanDerWaalsContact O-N 3.17Å; D586-I589 PolarHBondContact O-N 3.33Å; D587-I589 VanDerWaalsContact C-N 3.31Å; D587-I589 PolarHBondContact O-N 3.07Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3.12Å; I589-M592 WeakPolarHBondContact O-CB 3.09Å; I589-M592 PolarHBondContact O-N 3.36Å; I589-G595 WeakPolarHBondContact O-CA 3.32Å; I589-I596 HydrophobicContact CG2-CG2 3.8Å; I589-L615 HydrophobicContact CD1-CD1 4.49Å
590	G	91.6	Very high	91.8	Very high	63 Å²	63	51.6 Å²	51.6	65%	0.649	29%	0.292	S	S	*	.	H	α-helix	trans	-65.3	-29.9	176.7	0	0	0	0	0	113.7	D586 D587 F588 M592	D586-G590 PolarHBondContact O-N 3.21Å; D587-G590 PolarHBondContact O-N 3.46Å; F588-G590 VanDerWaalsContact C-N 3.32Å; G590-M592 VanDerWaalsContact C-N 3.32Å
591	E	92.3	Very high	91.5	Very high	165 Å²	165	52.4 Å²	52.4	77%	0.771	30%	0.301	S	S	*	.	H	α-helix	trans	-75.2	-18	175.1	-68	178.5	173.3	0	0	113.6	D587 F588 I589	D587-E591 PolarHBondContact O-N 2.99Å; F588-E591 PolarHBondContact O-N 2.97Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3.12Å
592	M	92.9	Very high	91.1	Very high	40 Å²	40	53.8 Å²	53.8	20%	0.197	31%	0.308	C	S	.	.	S	Bend	trans	-74.7	143	179.4	-69	173	173.4	0	0	112.1	V560 F588 I589 G590 N594 G595 T598 L607	V560-M592 HydrophobicContact CG2-SD 4.04Å; F588-M592 HydrophobicContact CD2-CE 3.63Å; F588-M592 HydrophobicContact CE2-CE 3.79Å; F588-M592 WeakPolarHBondContact O-CG 3.24Å; F588-M592 PolarHBondContact O-N 2.71Å; I589-M592 WeakPolarHBondContact O-CB 3.09Å; I589-M592 PolarHBondContact O-N 3.36Å; G590-M592 VanDerWaalsContact C-N 3.32Å; M592-N594 PolarHBondContact O-N 2.91Å; M592-N594 VanDerWaalsContact O-N 3.07Å; M592-G595 PolarHBondContact O-N 3.37Å; M592-G595 VanDerWaalsContact O-N 3.11Å; M592-T598 HydrophobicContact CB-CG2 4.08Å; M592-T598 VanDerWaalsContact CB-OG1 3.3Å; M592-T598 WeakPolarHBondContact CB-OG1 3.22Å; M592-T598 HydrophobicContact CG-CG2 4.17Å; M592-T598 HydrophobicContact SD-CG2 3.81Å; M592-L607 HydrophobicContact CE-CD2 3.41Å; M592-L607 VanDerWaalsContact CE-CD2 3.41Å
593	T	88.2	Confident	90.9	Very high	142 Å²	142	59.3 Å²	59.3	87%	0.871	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.4	-176.7	-46.1	0	0	0	0	114
594	N	91.9	Very high	90.6	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	15.7	-178.1	-66.6	-20.9	0	0	0	113.2	M592 I596 N597 T598	M592-N594 PolarHBondContact O-N 2.91Å; M592-N594 VanDerWaalsContact O-N 3.07Å; N594-I596 PolarHBondContact O-N 3.19Å; N594-N597 HydrophobicContact CB-CB 4.35Å; N594-N597 WeakPolarHBondContact O-CB 3.23Å; N594-N597 PolarHBondContact O-N 2.87Å; N594-T598 PolarHBondContact N-OG1 3Å
595	G	92.9	Very high	90.4	Very high	20 Å²	20	62.5 Å²	62.5	21%	0.206	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	53	-129.7	-178.6	0	0	0	0	0	112.8	I589 M592 N597 T598	I589-G595 WeakPolarHBondContact O-CA 3.32Å; M592-G595 PolarHBondContact O-N 3.37Å; M592-G595 VanDerWaalsContact O-N 3.11Å; G595-N597 PolarHBondContact O-N 2.89Å; G595-N597 VanDerWaalsContact O-N 3.15Å; G595-T598 PolarHBondContact N-OG1 2.8Å; G595-T598 VanDerWaalsContact O-CB 3.25Å; G595-T598 WeakPolarHBondContact O-CB 3.35Å; G595-T598 PolarHBondContact O-N 3.18Å; G595-T598 VanDerWaalsContact O-N 3.08Å; G595-T598 PolarHBondContact O-OG1 3.27Å
596	I	93.8	Very high	90.1	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.092	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-63.1	-17	177.5	61.1	173.9	0	0	0	114.5	V560 K561 D573 V576 M577 I589 N594 T598	V560-I596 WeakPolarHBondContact CB-O 3.33Å; V560-I596 PolarHBondContact N-O 3.3Å; K561-I596 HydrophobicContact CB-CB 4.27Å; K561-I596 WeakPolarHBondContact CB-O 3.23Å; K561-I596 HydrophobicContact CD-CD1 4.43Å; K561-I596 PolarHBondContact N-O 3.18Å; D573-I596 HydrophobicContact CB-CD1 3.95Å; V576-I596 HydrophobicContact CG1-CG2 4.42Å; M577-I596 HydrophobicContact CG-CG2 4.4Å; M577-I596 HydrophobicContact SD-CG2 3.32Å; M577-I596 WeakPolarHBondContact SD-CG2 3.48Å; I589-I596 HydrophobicContact CG2-CG2 3.8Å; N594-I596 PolarHBondContact O-N 3.19Å; I596-T598 VanDerWaalsContact C-N 3.29Å
597	N	94.8	Very high	89.9	Confident	92 Å²	92	67.1 Å²	67.1	49%	0.492	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-91.4	8.7	177.7	-61.5	-46.8	0	0	0	112.3	N594 G595	N594-N597 HydrophobicContact CB-CB 4.35Å; N594-N597 WeakPolarHBondContact O-CB 3.23Å; N594-N597 PolarHBondContact O-N 2.87Å; G595-N597 PolarHBondContact O-N 2.89Å; G595-N597 VanDerWaalsContact O-N 3.15Å
598	T	94.8	Very high	89.9	Confident	22 Å²	22	65.2 Å²	65.2	14%	0.135	37%	0.368	C	S	.	.			trans	-73.3	127.9	178.5	-55.1	0	0	0	0	110.8	S559 V560 M592 N594 G595 I596	S559-T598 CarbonylContact C-O 3.4Å; S559-T598 VanDerWaalsContact CA-O 3.25Å; S559-T598 WeakPolarHBondContact CA-O 3.37Å; V560-T598 PolarHBondContact N-O 2.78Å; M592-T598 HydrophobicContact CB-CG2 4.08Å; M592-T598 VanDerWaalsContact CB-OG1 3.3Å; M592-T598 WeakPolarHBondContact CB-OG1 3.22Å; M592-T598 HydrophobicContact CG-CG2 4.17Å; M592-T598 HydrophobicContact SD-CG2 3.81Å; N594-T598 PolarHBondContact N-OG1 3Å; G595-T598 PolarHBondContact N-OG1 2.8Å; G595-T598 VanDerWaalsContact O-CB 3.25Å; G595-T598 WeakPolarHBondContact O-CB 3.35Å; G595-T598 PolarHBondContact O-N 3.18Å; G595-T598 VanDerWaalsContact O-N 3.08Å; G595-T598 PolarHBondContact O-OG1 3.27Å; I596-T598 VanDerWaalsContact C-N 3.29Å
599	E	93.7	Very high	89.6	Confident	109 Å²	109	70.2 Å²	70.2	51%	0.509	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-73.2	124.5	175.8	-73.6	-70	159.9	0	0	111	G558 Q606	G558-E599 WeakPolarHBondContact CA-OE2 3.2Å; G558-E599 PolarHBondContact N-OE2 3.27Å; E599-Q606 PolarHBondContact O-OE1 3.3Å
600	I	91	Very high	89.3	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	41%	0.409	C	S	.	.			trans	-99.1	-1.1	-173.1	60.3	167	0	0	0	114.5	L555 G558 V560 N563 G604 S605 Q606 L607 L615	L555-I600 HydrophobicContact CB-CD1 3.93Å; L555-I600 HydrophobicContact CD1-CD1 3.8Å; L555-I600 HydrophobicContact CG-CD1 4.39Å; G558-I600 WeakPolarHBondContact O-CG1 3.37Å; G558-I600 PolarHBondContact O-N 3.14Å; G558-I600 VanDerWaalsContact O-N 3.11Å; V560-I600 HydrophobicContact CG2-CG2 3.6Å; N563-I600 HydrophobicContact CB-CD1 4.32Å; N563-I600 WeakPolarHBondContact ND2-CD1 3.2Å; I600-G604 CarbonylContact O-C 3.58Å; I600-G604 VanDerWaalsContact O-C 3.25Å; I600-G604 VanDerWaalsContact O-CA 3.26Å; I600-G604 WeakPolarHBondContact O-CA 3.25Å; I600-S605 PolarHBondContact O-N 3.32Å; I600-Q606 PolarHBondContact O-N 3.33Å; I600-L607 HydrophobicContact CB-CD1 4.18Å; I600-L607 HydrophobicContact CB-CG 4.26Å; I600-L607 HydrophobicContact CD1-CD1 4.12Å; I600-L607 HydrophobicContact CG2-CD1 3.98Å; I600-L607 HydrophobicContact CG2-CD2 4.24Å; I600-L607 HydrophobicContact CG2-CG 4.16Å; I600-L615 HydrophobicContact CD1-CD2 4.02Å
601	G	86.9	Confident	89.2	Confident	18 Å²	18	70.2 Å²	70.2	19%	0.186	39%	0.388	C	S	.	.			trans	72.7	-179.6	179.3	0	0	0	0	0	114.8	K603 G604	G601-K603 PolarHBondContact O-N 2.83Å; G601-G604 PolarHBondContact O-N 3.41Å; G601-G604 VanDerWaalsContact O-N 3.12Å
602	E	84.5	Confident	89.2	Confident	138 Å²	138	64.5 Å²	64.5	65%	0.645	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.7	128.1	-177.4	-167.8	-173.9	161.2	0	0	111.1	S557 G604 S605	S557-E602 WeakPolarHBondContact OG-CA 3.3Å; E602-G604 PolarHBondContact O-N 2.82Å; E602-S605 WeakPolarHBondContact O-CB 3.09Å; E602-S605 PolarHBondContact O-N 2.81Å
603	K	82.6	Confident	89.1	Confident	137 Å²	137	63 Å²	63	60%	0.596	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	52.9	27.5	-176.2	-61.7	178.9	-175	-179.3	0	113.5	L555 G601 S605 K612	L555-K603 VanDerWaalsContact O-CA 3.31Å; L555-K603 WeakPolarHBondContact O-CA 3.2Å; G601-K603 PolarHBondContact O-N 2.83Å; K603-S605 VanDerWaalsContact C-N 3.32Å; K603-S605 PolarHBondContact O-N 2.99Å; K603-K612 PolarHBondContact O-NZ 3.22Å
604	G	83.9	Confident	89.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	62.5	35.1	-176.1	0	0	0	0	0	112.9	I600 G601 E602 Q606 L607 K612	I600-G604 CarbonylContact O-C 3.58Å; I600-G604 VanDerWaalsContact O-C 3.25Å; I600-G604 VanDerWaalsContact O-CA 3.26Å; I600-G604 WeakPolarHBondContact O-CA 3.25Å; G601-G604 PolarHBondContact O-N 3.41Å; G601-G604 VanDerWaalsContact O-N 3.12Å; E602-G604 PolarHBondContact O-N 2.82Å; G604-Q606 PolarHBondContact O-N 2.98Å; G604-L607 PolarHBondContact O-N 3.42Å; G604-K612 WeakPolarHBondContact O-CE 3.33Å; G604-K612 PolarHBondContact O-NZ 2.73Å; G604-K612 VanDerWaalsContact O-NZ 3.08Å
605	S	85.3	Confident	89.3	Confident	85 Å²	85	53.5 Å²	53.5	59%	0.594	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.1	-175.5	61.9	0	0	0	0	114.6	I600 E602 K603	I600-S605 PolarHBondContact O-N 3.32Å; E602-S605 WeakPolarHBondContact O-CB 3.09Å; E602-S605 PolarHBondContact O-N 2.81Å; K603-S605 VanDerWaalsContact C-N 3.32Å; K603-S605 PolarHBondContact O-N 2.99Å
606	Q	84.8	Confident	89.3	Confident	131 Å²	131	53 Å²	53	61%	0.612	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	179.3	-57.4	-174.4	10.8	0	0	114	E599 I600 G604	E599-Q606 PolarHBondContact O-OE1 3.3Å; I600-Q606 PolarHBondContact O-N 3.33Å; G604-Q606 PolarHBondContact O-N 2.98Å
607	L	88.4	Confident	89.3	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.063	28%	0.283	C	S	.	.	S	Bend	trans	-103.8	140.8	-178.2	-61.1	179.9	0	0	0	111.6	L555 F588 M592 I600 G604 Q611 K612 L615	L555-L607 HydrophobicContact CD1-CD1 3.78Å; F588-L607 HydrophobicContact CE2-CD2 4.18Å; M592-L607 HydrophobicContact CE-CD2 3.41Å; M592-L607 VanDerWaalsContact CE-CD2 3.41Å; I600-L607 HydrophobicContact CB-CD1 4.18Å; I600-L607 HydrophobicContact CB-CG 4.26Å; I600-L607 HydrophobicContact CD1-CD1 4.12Å; I600-L607 HydrophobicContact CG2-CD1 3.98Å; I600-L607 HydrophobicContact CG2-CD2 4.24Å; I600-L607 HydrophobicContact CG2-CG 4.16Å; G604-L607 PolarHBondContact O-N 3.42Å; L607-Q611 HydrophobicContact CB-CB 4.16Å; L607-Q611 HydrophobicContact CD2-CB 4.43Å; L607-K612 HydrophobicContact CB-CG 3.75Å; L607-K612 HydrophobicContact CD1-CG 4.39Å; L607-K612 WeakPolarHBondContact O-CE 3.46Å; L607-L615 HydrophobicContact CD1-CD2 3.96Å
608	A	89.3	Confident	89.3	Confident	59 Å²	59	47.8 Å²	47.8	49%	0.488	26%	0.259	S	S	.	.			trans	-63.7	153.6	166.8	0	0	0	0	0	110.6	G610 Q611 K612	A608-G610 VanDerWaalsContact C-N 3.27Å; A608-G610 PolarHBondContact O-N 3.26Å; A608-Q611 HydrophobicContact CB-CG 4.27Å; A608-Q611 WeakPolarHBondContact O-CB 3.27Å; A608-Q611 PolarHBondContact O-N 3.1Å; A608-K612 PolarHBondContact O-N 2.87Å
609	V	84.9	Confident	89.3	Confident	113 Å²	113	48.5 Å²	48.5	69%	0.685	26%	0.259	S	S	*	.	H	α-helix	trans	-52.8	-44.3	-177	177.9	0	0	0	0	112.1	Q611 K612 Q613	V609-Q611 PolarHBondContact O-N 3.22Å; V609-K612 WeakPolarHBondContact O-CB 3.24Å; V609-K612 PolarHBondContact O-N 2.98Å; V609-Q613 PolarHBondContact O-N 2.83Å; V609-Q613 VanDerWaalsContact O-N 3.17Å
610	G	86.4	Confident	89.3	Confident	21 Å²	21	43.4 Å²	43.4	22%	0.216	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-32.1	178.1	0	0	0	0	0	114.5	A608 K612 Q613 R614 A636	A608-G610 VanDerWaalsContact C-N 3.27Å; A608-G610 PolarHBondContact O-N 3.26Å; G610-K612 VanDerWaalsContact C-N 3.34Å; G610-Q613 PolarHBondContact O-N 3.29Å; G610-R614 PolarHBondContact O-N 3.43Å; G610-A636 VanDerWaalsContact CA-CB 3.42Å
611	Q	90.7	Very high	89.4	Confident	44 Å²	44	43.7 Å²	43.7	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-37.7	172.8	-68.2	171.5	-28.6	0	0	111	F588 L607 A608 V609 Q613 R614 L615	F588-Q611 HydrophobicContact CD1-CB 4.41Å; F588-Q611 HydrophobicContact CD1-CG 3.9Å; F588-Q611 HydrophobicContact CD2-CB 4.42Å; F588-Q611 HydrophobicContact CD2-CG 4.08Å; F588-Q611 HydrophobicContact CE1-CB 4.03Å; F588-Q611 HydrophobicContact CE1-CG 4.03Å; F588-Q611 HydrophobicContact CE2-CB 4.08Å; F588-Q611 HydrophobicContact CE2-CG 4.24Å; F588-Q611 HydrophobicContact CG-CG 3.91Å; F588-Q611 HydrophobicContact CZ-CB 3.87Å; F588-Q611 HydrophobicContact CZ-CG 4.21Å; L607-Q611 HydrophobicContact CB-CB 4.16Å; L607-Q611 HydrophobicContact CD2-CB 4.43Å; A608-Q611 HydrophobicContact CB-CG 4.27Å; A608-Q611 WeakPolarHBondContact O-CB 3.27Å; A608-Q611 PolarHBondContact O-N 3.1Å; V609-Q611 PolarHBondContact O-N 3.22Å; Q611-Q613 VanDerWaalsContact C-N 3.34Å; Q611-Q613 PolarHBondContact O-N 2.86Å; Q611-R614 PolarHBondContact O-N 2.8Å; Q611-L615 WeakPolarHBondContact O-CB 2.82Å; Q611-L615 PolarHBondContact O-N 3.41Å
612	K	91.7	Very high	89.8	Confident	45 Å²	45	43.9 Å²	43.9	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-42	174.9	-61	-175.2	-173.1	-160.9	0	112.1	P553 L555 K603 G604 L607 A608 V609 G610 L615 A616	P553-K612 HydrophobicContact CG-CB 4.24Å; L555-K612 HydrophobicContact CD1-CB 4.01Å; L555-K612 HydrophobicContact CD1-CD 4.46Å; L555-K612 HydrophobicContact CD1-CG 3.86Å; K603-K612 PolarHBondContact O-NZ 3.22Å; G604-K612 WeakPolarHBondContact O-CE 3.33Å; G604-K612 PolarHBondContact O-NZ 2.73Å; G604-K612 VanDerWaalsContact O-NZ 3.08Å; L607-K612 HydrophobicContact CB-CG 3.75Å; L607-K612 HydrophobicContact CD1-CG 4.39Å; L607-K612 WeakPolarHBondContact O-CE 3.46Å; A608-K612 PolarHBondContact O-N 2.87Å; V609-K612 WeakPolarHBondContact O-CB 3.24Å; V609-K612 PolarHBondContact O-N 2.98Å; G610-K612 VanDerWaalsContact C-N 3.34Å; K612-L615 PolarHBondContact O-N 3.26Å; K612-A616 WeakPolarHBondContact O-CB 3.38Å; K612-A616 PolarHBondContact O-N 3Å
613	Q	89.9	Confident	90.2	Very high	9 Å²	9	39 Å²	39	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-49.1	176.5	-76.7	-172.5	-14.2	0	0	111.9	Q551 P553 V609 G610 Q611 L615 A616 I617 A633 S635 A636	Q551-Q613 PolarHBondContact O-NE2 3.41Å; Q551-Q613 VanDerWaalsContact O-NE2 3.07Å; P553-Q613 HydrophobicContact CG-CG 3.98Å; V609-Q613 PolarHBondContact O-N 2.83Å; V609-Q613 VanDerWaalsContact O-N 3.17Å; G610-Q613 PolarHBondContact O-N 3.29Å; Q611-Q613 VanDerWaalsContact C-N 3.34Å; Q611-Q613 PolarHBondContact O-N 2.86Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 2.93Å; Q613-A616 WeakPolarHBondContact O-CB 3.33Å; Q613-A616 PolarHBondContact O-N 3.29Å; Q613-A616 VanDerWaalsContact O-N 3.08Å; Q613-I617 WeakPolarHBondContact O-CG1 3.29Å; Q613-I617 PolarHBondContact O-N 3.17Å; Q613-A633 PolarHBondContact OE1-O 3.28Å; Q613-S635 PolarHBondContact OE1-OG 2.98Å; Q613-A636 HydrophobicContact CB-CB 4.22Å; Q613-A636 VanDerWaalsContact OE1-N 3.13Å
614	R	91.5	Very high	90.6	Very high	49 Å²	49	35.3 Å²	35.3	19%	0.185	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-41.4	175.4	-73.4	-170.5	-83	174.1	-14.1	112.5	A583 C584 A585 F588 G610 Q611 A616 I617 A618 L637	A583-R614 WeakPolarHBondContact CB-O 3.3Å; A583-R614 WeakPolarHBondContact O-CG 3.32Å; C584-R614 VanDerWaalsContact O-CD 3.32Å; C584-R614 WeakPolarHBondContact O-CD 2.95Å; C584-R614 PolarHBondContact O-NH1 3.17Å; A585-R614 HydrophobicContact CB-CB 4.23Å; F588-R614 HydrophobicContact CE1-CB 4.36Å; G610-R614 PolarHBondContact O-N 3.43Å; Q611-R614 PolarHBondContact O-N 2.8Å; R614-A616 PolarHBondContact O-N 3.3Å; R614-I617 PolarHBondContact O-N 3.08Å; R614-A618 PolarHBondContact O-N 3.17Å; R614-L637 HydrophobicContact CG-CD2 3.81Å
615	L	93.8	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-36.9	175.7	-167	68.2	0	0	0	112.9	L555 V560 N563 I564 I589 I600 L607 Q611 K612 Q613 A618 R619	L555-L615 HydrophobicContact CD1-CD2 3.82Å; L555-L615 HydrophobicContact CD2-CD2 4.01Å; L555-L615 HydrophobicContact CD2-CG 4.47Å; V560-L615 HydrophobicContact CG1-CD1 3.76Å; N563-L615 HydrophobicContact CB-CD2 4.13Å; I564-L615 HydrophobicContact CD1-CD1 3.61Å; I564-L615 HydrophobicContact CG1-CD1 3.48Å; I564-L615 VanDerWaalsContact CG1-CD1 3.48Å; I564-L615 HydrophobicContact CG1-CG 4.28Å; I589-L615 HydrophobicContact CD1-CD1 4.49Å; I600-L615 HydrophobicContact CD1-CD2 4.02Å; L607-L615 HydrophobicContact CD1-CD2 3.96Å; Q611-L615 WeakPolarHBondContact O-CB 2.82Å; Q611-L615 PolarHBondContact O-N 3.41Å; K612-L615 PolarHBondContact O-N 3.26Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 2.93Å; L615-A618 PolarHBondContact O-N 3.37Å; L615-R619 PolarHBondContact O-N 2.96Å
616	A	93.5	Very high	91.6	Very high	9 Å²	9	34.6 Å²	34.6	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-33.9	175.3	0	0	0	0	0	112.6	V549 P553 K612 Q613 R614 R619 A620	V549-A616 HydrophobicContact CG1-CB 4.01Å; P553-A616 HydrophobicContact CB-CB 3.32Å; P553-A616 HydrophobicContact CG-CB 3.89Å; K612-A616 WeakPolarHBondContact O-CB 3.38Å; K612-A616 PolarHBondContact O-N 3Å; Q613-A616 WeakPolarHBondContact O-CB 3.33Å; Q613-A616 PolarHBondContact O-N 3.29Å; Q613-A616 VanDerWaalsContact O-N 3.08Å; R614-A616 PolarHBondContact O-N 3.3Å; A616-R619 WeakPolarHBondContact O-CB 3.49Å; A616-R619 PolarHBondContact O-N 3.34Å; A616-A620 PolarHBondContact O-N 3.37Å
617	I	93.1	Very high	92.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-49	170.4	-64.3	163.2	0	0	0	109.3	V549 A583 Q613 R614 R619 A620 L621 L637 L645	V549-I617 HydrophobicContact CG1-CG1 3.94Å; V549-I617 HydrophobicContact CG2-CG1 4.24Å; A583-I617 HydrophobicContact CB-CB 4.03Å; A583-I617 HydrophobicContact CB-CG2 3.77Å; Q613-I617 WeakPolarHBondContact O-CG1 3.29Å; Q613-I617 PolarHBondContact O-N 3.17Å; R614-I617 PolarHBondContact O-N 3.08Å; I617-R619 VanDerWaalsContact C-N 3.28Å; I617-R619 PolarHBondContact O-N 2.73Å; I617-A620 CarbonylContact O-C 3.25Å; I617-A620 WeakPolarHBondContact O-CA 3.44Å; I617-A620 WeakPolarHBondContact O-CB 3.42Å; I617-A620 PolarHBondContact O-N 2.75Å; I617-L621 HydrophobicContact CG2-CD1 3.88Å; I617-L621 HydrophobicContact CG2-CG 3.99Å; I617-L621 WeakPolarHBondContact O-CG 3.43Å; I617-L621 PolarHBondContact O-N 3.25Å; I617-L637 HydrophobicContact CD1-CD1 3.8Å; I617-L637 HydrophobicContact CD1-CD2 3.77Å; I617-L637 HydrophobicContact CD1-CG 3.99Å; I617-L645 HydrophobicContact CG2-CD1 4.46Å
618	A	94.1	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-43.2	175.2	0	0	0	0	0	112.2	I564 A583 R614 L615 A620 L621 V622	I564-A618 HydrophobicContact CD1-CB 4.14Å; I564-A618 HydrophobicContact CG1-CB 4.09Å; I564-A618 HydrophobicContact CG2-CB 4.47Å; A583-A618 HydrophobicContact CB-CB 3.83Å; R614-A618 PolarHBondContact O-N 3.17Å; L615-A618 PolarHBondContact O-N 3.37Å; A618-A620 VanDerWaalsContact C-N 3.26Å; A618-A620 PolarHBondContact O-N 2.77Å; A618-L621 PolarHBondContact O-N 2.91Å; A618-V622 PolarHBondContact O-N 3.48Å
619	R	95	Very high	92.7	Very high	36 Å²	36	25 Å²	25	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-38.3	171.9	176.5	-169.8	-68.2	172.7	-1.7	112	V554 L555 N563 L615 A616 I617 V622 R623	V554-R619 PolarHBondContact O-NH1 3.03Å; L555-R619 VanDerWaalsContact CD2-NH2 3.33Å; N563-R619 PolarHBondContact O-NE 2.93Å; N563-R619 PolarHBondContact O-NH2 3.15Å; N563-R619 PolarHBondContact OD1-NH2 3.17Å; L615-R619 PolarHBondContact O-N 2.96Å; A616-R619 WeakPolarHBondContact O-CB 3.49Å; A616-R619 PolarHBondContact O-N 3.34Å; I617-R619 VanDerWaalsContact C-N 3.28Å; I617-R619 PolarHBondContact O-N 2.73Å; R619-V622 WeakPolarHBondContact O-CG1 3.42Å; R619-R623 PolarHBondContact O-NH1 3.42Å
620	A	93.9	Very high	93.1	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-71.3	-46	175.9	0	0	0	0	0	112.2	V547 V549 A616 I617 A618 V622 R623 P625 L628	V547-A620 HydrophobicContact CB-CB 4.42Å; V547-A620 HydrophobicContact CG1-CB 3.48Å; V547-A620 VanDerWaalsContact CG1-CB 3.48Å; V549-A620 HydrophobicContact CG2-CB 3.61Å; A616-A620 PolarHBondContact O-N 3.37Å; I617-A620 CarbonylContact O-C 3.25Å; I617-A620 WeakPolarHBondContact O-CA 3.44Å; I617-A620 WeakPolarHBondContact O-CB 3.42Å; I617-A620 PolarHBondContact O-N 2.75Å; A618-A620 VanDerWaalsContact C-N 3.26Å; A618-A620 PolarHBondContact O-N 2.77Å; A620-V622 PolarHBondContact O-N 2.94Å; A620-R623 PolarHBondContact O-N 3.48Å; A620-P625 WeakPolarHBondContact O-CD 3.33Å; A620-L628 HydrophobicContact CB-CD1 3.96Å
621	L	93.6	Very high	93.2	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-35	-174.4	-61.5	-174.2	0	0	0	113.4	A579 A582 A583 I617 A618 R623 N624 L628 L645 W648	A579-L621 HydrophobicContact CB-CB 4.35Å; A582-L621 HydrophobicContact CB-CD1 3.65Å; A583-L621 HydrophobicContact CB-CD1 4.26Å; I617-L621 HydrophobicContact CG2-CD1 3.88Å; I617-L621 HydrophobicContact CG2-CG 3.99Å; I617-L621 WeakPolarHBondContact O-CG 3.43Å; I617-L621 PolarHBondContact O-N 3.25Å; A618-L621 PolarHBondContact O-N 2.91Å; L621-R623 PolarHBondContact O-N 3.25Å; L621-N624 PolarHBondContact O-N 2.95Å; L621-L628 HydrophobicContact CD2-CD2 4.07Å; L621-L645 HydrophobicContact CD1-CD1 4.17Å; L621-L645 HydrophobicContact CD2-CD1 3.93Å; L621-W648 HydrophobicContact CB-CZ2 4.48Å; L621-W648 HydrophobicContact CD2-CD2 3.8Å; L621-W648 HydrophobicContact CD2-CE3 3.62Å; L621-W648 HydrophobicContact CD2-CH2 3.52Å; L621-W648 HydrophobicContact CD2-CZ2 3.7Å; L621-W648 HydrophobicContact CD2-CZ3 3.48Å; L621-W648 VanDerWaalsContact CD2-CZ3 3.48Å
622	V	94.6	Very high	92.7	Very high	21 Å²	21	19.4 Å²	19.4	13%	0.127	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	179.8	71.2	0	0	0	0	113.1	I564 L568 Q575 A579 A618 R619 A620 N624	I564-V622 HydrophobicContact CG2-CB 4Å; I564-V622 HydrophobicContact CG2-CG1 3.86Å; I564-V622 HydrophobicContact CG2-CG2 4.37Å; I564-V622 WeakPolarHBondContact O-CG1 3.39Å; L568-V622 HydrophobicContact CD1-CG1 3.77Å; L568-V622 HydrophobicContact CD1-CG2 4.25Å; Q575-V622 HydrophobicContact CB-CG2 4.36Å; A579-V622 HydrophobicContact CB-CB 3.65Å; A579-V622 HydrophobicContact CB-CG2 4.23Å; A618-V622 PolarHBondContact O-N 3.48Å; R619-V622 WeakPolarHBondContact O-CG1 3.42Å; A620-V622 PolarHBondContact O-N 2.94Å; V622-N624 VanDerWaalsContact C-N 3.29Å; V622-N624 PolarHBondContact O-N 3.36Å
623	R	92.9	Very high	91.8	Very high	35 Å²	35	17.3 Å²	17.3	13%	0.132	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.7	176.7	-69.2	161.3	168.7	61	1.5	113.6	R544 V547 Y566 L568 R619 A620 L621	R544-R623 HydrophobicContact CG-CB 4.27Å; V547-R623 HydrophobicContact CG2-CB 4.46Å; Y566-R623 PolarHBondContact O-NH2 3.35Å; L568-R623 HydrophobicContact CD1-CG 4.14Å; L568-R623 HydrophobicContact CD2-CG 4.2Å; L568-R623 HydrophobicContact CG-CG 4.43Å; R619-R623 PolarHBondContact O-NH1 3.42Å; A620-R623 PolarHBondContact O-N 3.48Å; L621-R623 PolarHBondContact O-N 3.25Å
624	N	91.8	Very high	90.7	Very high	61 Å²	61	17.4 Å²	17.4	33%	0.326	8%	0.081	S	C	.	.			trans	49.4	61.6	-167.6	-165	17.1	0	0	0	113.2	L621 V622 E652 R654	L621-N624 PolarHBondContact O-N 2.95Å; V622-N624 VanDerWaalsContact C-N 3.29Å; V622-N624 PolarHBondContact O-N 3.36Å; N624-E652 PolarHBondContact ND2-OE1 3.05Å; N624-E652 VanDerWaalsContact ND2-OE1 3.1Å; N624-R654 VanDerWaalsContact OD1-CZ 3.29Å; N624-R654 PolarHBondContact OD1-NE 3.25Å; N624-R654 PolarHBondContact OD1-NH2 3.15Å
625	P	94.7	Very high	89.7	Confident	1 Å²	1	17 Å²	17	1%	0.006	9%	0.085	C	C	.	.			trans	-72.5	148.2	-175.6	30.1	-35.5	0	0	0	112.8	Q545 V547 A620 W648 R654	Q545-P625 VanDerWaalsContact O-CB 3.31Å; Q545-P625 WeakPolarHBondContact O-CB 3.3Å; V547-P625 HydrophobicContact CB-CB 4.09Å; V547-P625 HydrophobicContact CB-CG 4.24Å; V547-P625 HydrophobicContact CG2-CB 3.71Å; V547-P625 HydrophobicContact CG2-CG 4.17Å; A620-P625 WeakPolarHBondContact O-CD 3.33Å; P625-W648 HydrophobicContact CG-CH2 4.05Å; P625-R654 WeakPolarHBondContact O-CD 3.49Å
626	R	94.9	Very high	88.4	Confident	68 Å²	68	18.6 Å²	18.6	26%	0.257	10%	0.098	S	C	.	.	S	Bend	trans	-82.5	-27.4	171.5	-72.9	-76.2	175.9	-160.4	-14.8	113.2	L464 Q545 E652 T655	L464-R626 HydrophobicContact CB-CG 4.23Å; L464-R626 HydrophobicContact CD2-CB 3.61Å; L464-R626 HydrophobicContact CD2-CG 4.01Å; L464-R626 WeakPolarHBondContact O-CD 3.35Å; L464-R626 PolarHBondContact O-NE 3.4Å; Q545-R626 PolarHBondContact O-N 3.45Å; R626-E652 IonicContact CZ-OE2 3.34Å; R626-E652 PolarHBondContact NH1-O 2.9Å; R626-E652 IonicContact NH1-OE2 3.51Å; R626-E652 IonicContact NH2-OE2 2.75Å; R626-E652 PolarHBondContact NH2-OE2 3.45Å; R626-T655 PolarHBondContact O-N 3.2Å
627	V	95.7	Very high	87.4	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.3	176.2	-174.2	0	0	0	0	108.5	V468 L529 Q545 V546 V547 T655	V468-V627 HydrophobicContact CG2-CG1 4.31Å; V468-V627 HydrophobicContact CG2-CG2 4.05Å; L529-V627 HydrophobicContact CD1-CG2 4.19Å; Q545-V627 PolarHBondContact O-N 3.27Å; V546-V627 WeakPolarHBondContact CA-O 3.43Å; V546-V627 HydrophobicContact CB-CB 4.44Å; V546-V627 HydrophobicContact CG1-CB 4.27Å; V546-V627 HydrophobicContact CG1-CG1 4.27Å; V546-V627 HydrophobicContact CG2-CB 4.08Å; V546-V627 HydrophobicContact CG2-CG2 4.28Å; V547-V627 PolarHBondContact N-O 2.9Å; V627-T655 WeakPolarHBondContact CA-O 3.37Å; V627-T655 HydrophobicContact CG1-CG2 4.47Å
628	L	95.3	Very high	86.7	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.8	177.9	178.8	61.7	0	0	0	110.3	V549 A620 L621 L630 L645 W648 T655 M656 L657	V549-L628 HydrophobicContact CG2-CD1 4.31Å; A620-L628 HydrophobicContact CB-CD1 3.96Å; L621-L628 HydrophobicContact CD2-CD2 4.07Å; L628-L630 HydrophobicContact CD1-CD2 4.17Å; L628-L630 HydrophobicContact CD2-CD2 4.24Å; L628-L630 HydrophobicContact CG-CD2 4.06Å; L628-L630 HydrophobicContact CG-CG 4.3Å; L628-L645 HydrophobicContact CD2-CD1 4.33Å; L628-W648 HydrophobicContact CD2-CZ3 3.93Å; L628-T655 PolarHBondContact N-O 2.66Å; L628-M656 HydrophobicContact CB-CB 4.23Å; L628-M656 HydrophobicContact CD2-CE 3.75Å; L628-M656 HydrophobicContact CG-CE 4.43Å; L628-M656 CarbonylContact O-C 3.51Å; L628-M656 WeakPolarHBondContact O-CA 3.34Å; L628-M656 VanDerWaalsContact O-CB 3.3Å; L628-M656 WeakPolarHBondContact O-CB 3.41Å; L628-L657 PolarHBondContact O-N 3.42Å
629	I	95	Very high	85.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.4	178.6	-48.7	168.8	0	0	0	108.1	A513 L516 Q517 V546 V547 L548 V549 L657	A513-I629 HydrophobicContact CB-CG2 4.06Å; L516-I629 HydrophobicContact CB-CD1 3.65Å; L516-I629 HydrophobicContact CD1-CD1 3.84Å; L516-I629 HydrophobicContact CG-CD1 4.38Å; Q517-I629 HydrophobicContact CG-CD1 4.48Å; V546-I629 HydrophobicContact CG1-CD1 4.08Å; V547-I629 PolarHBondContact O-N 3.46Å; L548-I629 CarbonylContact C-O 3.55Å; L548-I629 WeakPolarHBondContact CA-O 3.45Å; L548-I629 HydrophobicContact CB-CB 4.41Å; L548-I629 HydrophobicContact CD1-CB 3.73Å; L548-I629 HydrophobicContact CD1-CG2 3.48Å; L548-I629 VanDerWaalsContact CD1-CG2 3.48Å; V549-I629 PolarHBondContact N-O 3.49Å; I629-L657 CarbonylContact C-O 3.57Å; I629-L657 VanDerWaalsContact CA-O 3.31Å; I629-L657 WeakPolarHBondContact CA-O 3.46Å; I629-L657 HydrophobicContact CG1-CB 4.41Å; I629-L657 HydrophobicContact CG2-CB 4.32Å; I629-L657 HydrophobicContact CG2-CD2 4.07Å; I629-L657 HydrophobicContact CG2-CG 4.31Å
630	L	92.1	Very high	85	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.5	178.1	-59.1	177	0	0	0	108.7	V549 L628 A633 T634 L645 M656 L657 V658 I659	V549-L630 HydrophobicContact CB-CD2 3.84Å; V549-L630 HydrophobicContact CG2-CD2 3.73Å; L628-L630 HydrophobicContact CD1-CD2 4.17Å; L628-L630 HydrophobicContact CD2-CD2 4.24Å; L628-L630 HydrophobicContact CG-CD2 4.06Å; L628-L630 HydrophobicContact CG-CG 4.3Å; L630-A633 HydrophobicContact CB-CB 4.35Å; L630-A633 HydrophobicContact CD2-CB 4.28Å; L630-T634 HydrophobicContact CD1-CG2 4Å; L630-L645 HydrophobicContact CD1-CD2 3.82Å; L630-M656 HydrophobicContact CD1-CE 4.11Å; L630-M656 HydrophobicContact CD1-SD 4.32Å; L630-L657 PolarHBondContact N-O 3Å; L630-V658 HydrophobicContact CB-CG1 4.29Å; L630-V658 HydrophobicContact CD1-CG2 4.37Å; L630-I659 PolarHBondContact O-N 3.29Å
631	D	90.3	Very high	84.4	Confident	14 Å²	14	31.5 Å²	31.5	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.8	176.3	-163.9	0.9	0	0	0	109.9	S510 L548 V549 G550 Q551 A633 I659	S510-D631 PolarHBondContact OG-OD2 3.4Å; L548-D631 HydrophobicContact CD1-CB 4.13Å; V549-D631 PolarHBondContact O-N 3.24Å; G550-D631 CarbonylContact C-O 3.6Å; Q551-D631 WeakPolarHBondContact CA-O 3.44Å; Q551-D631 PolarHBondContact N-O 2.89Å; Q551-D631 VanDerWaalsContact N-O 3.08Å; D631-A633 PolarHBondContact O-N 3.36Å; D631-I659 HydrophobicContact CB-CB 4.49Å; D631-I659 HydrophobicContact CB-CD1 4.07Å; D631-I659 WeakPolarHBondContact OD1-CB 3.43Å; D631-I659 WeakPolarHBondContact OD1-CG2 3.43Å
632	E	79.8	Confident	83.8	Confident	44 Å²	44	32.5 Å²	32.5	21%	0.206	18%	0.178	C	C	.	.	S	Bend	trans	51.8	12.5	-172.9	-65.6	-171.5	-167	0	0	115.9	Q551 T634 S635 I659 H661	Q551-E632 HydrophobicContact CB-CB 4.39Å; Q551-E632 HydrophobicContact CG-CB 4.06Å; Q551-E632 VanDerWaalsContact NE2-CD 3.29Å; Q551-E632 PolarHBondContact NE2-OE2 3.35Å; E632-T634 PolarHBondContact O-N 3.49Å; E632-S635 VanDerWaalsContact O-CB 3.23Å; E632-S635 WeakPolarHBondContact O-CB 3.39Å; E632-S635 PolarHBondContact O-N 3.25Å; E632-S635 PolarHBondContact O-OG 3.42Å; E632-I659 PolarHBondContact N-O 2.91Å; E632-I659 VanDerWaalsContact N-O 3.11Å; E632-H661 IonicContact OE1-CD2 2.67Å; E632-H661 PolarHBondContact OE1-CD2 3.31Å; E632-H661 IonicContact OE1-CG 3.85Å; E632-H661 IonicContact OE1-NE2 2.95Å; E632-H661 PolarHBondContact OE1-NE2 2.72Å
633	A	72.7	Confident	83.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-68.3	-21.3	-174.8	0	0	0	0	0	113.6	V549 Q613 L630 D631 S635	V549-A633 HydrophobicContact CB-CB 3.9Å; V549-A633 HydrophobicContact CG1-CB 3.48Å; V549-A633 VanDerWaalsContact CG1-CB 3.48Å; Q613-A633 PolarHBondContact OE1-O 3.28Å; L630-A633 HydrophobicContact CB-CB 4.35Å; L630-A633 HydrophobicContact CD2-CB 4.28Å; D631-A633 PolarHBondContact O-N 3.36Å; A633-S635 PolarHBondContact O-N 3.08Å
634	T	67.4	Low	82.8	Confident	12 Å²	12	37.4 Å²	37.4	7%	0.074	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-73.1	-4.9	173.9	60	0	0	0	0	112.5	L630 E632 A636 L637 R662	L630-T634 HydrophobicContact CD1-CG2 4Å; E632-T634 PolarHBondContact O-N 3.49Å; T634-A636 VanDerWaalsContact C-N 3.34Å; T634-A636 PolarHBondContact O-N 2.99Å; T634-L637 HydrophobicContact CG2-CD1 4.26Å; T634-L637 PolarHBondContact O-N 2.84Å; T634-L637 VanDerWaalsContact O-N 3.14Å; T634-R662 PolarHBondContact O-NH1 3.28Å
635	S	69.9	Low	82.5	Confident	40 Å²	40	35 Å²	35	28%	0.28	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-65.7	-33.7	-177.7	59.1	0	0	0	0	113.9	Q613 E632 A633 R662	Q613-S635 PolarHBondContact OE1-OG 2.98Å; E632-S635 VanDerWaalsContact O-CB 3.23Å; E632-S635 WeakPolarHBondContact O-CB 3.39Å; E632-S635 PolarHBondContact O-N 3.25Å; E632-S635 PolarHBondContact O-OG 3.42Å; A633-S635 PolarHBondContact O-N 3.08Å; S635-R662 PolarHBondContact O-NH1 3.39Å; S635-R662 PolarHBondContact O-NH2 3.44Å
636	A	65.2	Low	81.9	Confident	33 Å²	33	39.5 Å²	39.5	27%	0.273	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-95	5.6	173.5	0	0	0	0	0	114.2	G610 Q613 T634	G610-A636 VanDerWaalsContact CA-CB 3.42Å; Q613-A636 HydrophobicContact CB-CB 4.22Å; Q613-A636 VanDerWaalsContact OE1-N 3.13Å; T634-A636 VanDerWaalsContact C-N 3.34Å; T634-A636 PolarHBondContact O-N 2.99Å
637	L	73.3	Confident	81.4	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.068	23%	0.226	C	C	.	.			trans	-87	132.8	172	-60.7	-179.6	0	0	0	109.7	R614 I617 T634 C641 E642 L645	R614-L637 HydrophobicContact CG-CD2 3.81Å; I617-L637 HydrophobicContact CD1-CD1 3.8Å; I617-L637 HydrophobicContact CD1-CD2 3.77Å; I617-L637 HydrophobicContact CD1-CG 3.99Å; T634-L637 HydrophobicContact CG2-CD1 4.26Å; T634-L637 PolarHBondContact O-N 2.84Å; T634-L637 VanDerWaalsContact O-N 3.14Å; L637-C641 HydrophobicContact CB-CB 4.33Å; L637-C641 HydrophobicContact CD2-CB 4.04Å; L637-E642 HydrophobicContact CB-CG 3.98Å; L637-E642 HydrophobicContact CD1-CG 4.5Å; L637-L645 HydrophobicContact CD1-CD2 4.23Å
638	D	77.7	Confident	81	Confident	82 Å²	82	41.5 Å²	41.5	44%	0.439	23%	0.231	S	C	.	.			trans	-77.7	164	163.8	48.2	-29.2	0	0	0	111.2	E640 C641 E642	D638-E640 VanDerWaalsContact C-N 3.29Å; D638-E640 PolarHBondContact O-N 3.44Å; D638-C641 PolarHBondContact O-N 3.25Å; D638-C641 WeakPolarHBondContact OD1-CB 3.34Å; D638-C641 PolarHBondContact OD1-SG 2.91Å; D638-E642 PolarHBondContact O-N 2.93Å
639	A	76.9	Confident	80.5	Confident	69 Å²	69	42 Å²	42	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-35.9	-171.5	0	0	0	0	0	113.3	C641 E642 Q643	A639-C641 VanDerWaalsContact C-N 3.31Å; A639-C641 PolarHBondContact O-N 3.41Å; A639-E642 PolarHBondContact O-N 3.21Å; A639-Q643 WeakPolarHBondContact O-CG 3.37Å; A639-Q643 PolarHBondContact O-N 2.91Å; A639-Q643 VanDerWaalsContact O-N 3.14Å
640	E	78	Confident	80	Confident	152 Å²	152	45.6 Å²	45.6	71%	0.71	26%	0.258	S	S	*	.	H	α-helix	trans	-64.3	-38.5	177.1	-65.1	-177.1	-177.6	0	0	111.3	D638 Q643 A644	D638-E640 VanDerWaalsContact C-N 3.29Å; D638-E640 PolarHBondContact O-N 3.44Å; E640-Q643 WeakPolarHBondContact O-CB 3.29Å; E640-Q643 PolarHBondContact O-N 3.41Å; E640-A644 PolarHBondContact O-N 3.05Å
641	C	80.5	Confident	79.5	Confident	6 Å²	6	52 Å²	52	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-77.3	-32.8	-179.9	-62.6	0	0	0	0	113.3	C584 L637 D638 A639 Q643 A644 L645	C584-C641 HydrophobicContact CB-CB 3.89Å; C584-C641 WeakPolarHBondContact CB-SG 3.41Å; C584-C641 WeakPolarHBondContact SG-CA 3.41Å; C584-C641 WeakPolarHBondContact SG-CB 3.43Å; C584-C641 CovalentContact SG-SG 2.02Å; C584-C641 PolarHBondContact SG-SG 3.08Å; L637-C641 HydrophobicContact CB-CB 4.33Å; L637-C641 HydrophobicContact CD2-CB 4.04Å; D638-C641 PolarHBondContact O-N 3.25Å; D638-C641 WeakPolarHBondContact OD1-CB 3.34Å; D638-C641 PolarHBondContact OD1-SG 2.91Å; A639-C641 VanDerWaalsContact C-N 3.31Å; A639-C641 PolarHBondContact O-N 3.41Å; C641-Q643 VanDerWaalsContact C-N 3.29Å; C641-Q643 PolarHBondContact O-N 2.98Å; C641-A644 PolarHBondContact O-N 2.66Å; C641-L645 WeakPolarHBondContact O-CB 3.24Å; C641-L645 PolarHBondContact O-N 3.1Å
642	E	81	Confident	79.1	Confident	28 Å²	28	54.4 Å²	54.4	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-40.8	167.8	-69.8	-168.4	161	0	0	111.1	L637 D638 A639 L645 Q646 H664	L637-E642 HydrophobicContact CB-CG 3.98Å; L637-E642 HydrophobicContact CD1-CG 4.5Å; D638-E642 PolarHBondContact O-N 2.93Å; A639-E642 PolarHBondContact O-N 3.21Å; E642-L645 PolarHBondContact O-N 2.86Å; E642-Q646 WeakPolarHBondContact O-CG 3.46Å; E642-Q646 PolarHBondContact O-N 3.34Å; E642-H664 IonicContact OE2-CD2 3.96Å
643	Q	81.9	Confident	79.3	Confident	125 Å²	125	57.5 Å²	57.5	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-66.8	-41.3	175.4	-72	179.4	3.9	0	0	112.9	A639 E640 C641 L645 Q646 T647	A639-Q643 WeakPolarHBondContact O-CG 3.37Å; A639-Q643 PolarHBondContact O-N 2.91Å; A639-Q643 VanDerWaalsContact O-N 3.14Å; E640-Q643 WeakPolarHBondContact O-CB 3.29Å; E640-Q643 PolarHBondContact O-N 3.41Å; C641-Q643 VanDerWaalsContact C-N 3.29Å; C641-Q643 PolarHBondContact O-N 2.98Å; Q643-L645 VanDerWaalsContact C-N 3.3Å; Q643-L645 PolarHBondContact O-N 3.37Å; Q643-Q646 PolarHBondContact O-N 3.23Å; Q643-T647 WeakPolarHBondContact O-CB 3.48Å; Q643-T647 PolarHBondContact O-N 3.49Å; Q643-T647 PolarHBondContact O-OG1 3.49Å
644	A	84	Confident	80.2	Confident	34 Å²	34	57.8 Å²	57.8	28%	0.281	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175.4	0	0	0	0	0	111.2	E640 C641 T647 W648	E640-A644 PolarHBondContact O-N 3.05Å; C641-A644 PolarHBondContact O-N 2.66Å; A644-T647 PolarHBondContact O-N 3.09Å; A644-W648 PolarHBondContact O-N 3.34Å
645	L	85.4	Confident	81.5	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-39.5	177	-174.7	61.6	0	0	0	112.6	I617 L621 L628 L630 L637 C641 E642 Q643 T647 W648 R649 M656	I617-L645 HydrophobicContact CG2-CD1 4.46Å; L621-L645 HydrophobicContact CD1-CD1 4.17Å; L621-L645 HydrophobicContact CD2-CD1 3.93Å; L628-L645 HydrophobicContact CD2-CD1 4.33Å; L630-L645 HydrophobicContact CD1-CD2 3.82Å; L637-L645 HydrophobicContact CD1-CD2 4.23Å; C641-L645 WeakPolarHBondContact O-CB 3.24Å; C641-L645 PolarHBondContact O-N 3.1Å; E642-L645 PolarHBondContact O-N 2.86Å; Q643-L645 VanDerWaalsContact C-N 3.3Å; Q643-L645 PolarHBondContact O-N 3.37Å; L645-T647 VanDerWaalsContact C-N 3.34Å; L645-W648 HydrophobicContact CD1-CE3 4.23Å; L645-W648 PolarHBondContact O-N 2.68Å; L645-R649 VanDerWaalsContact O-CB 3.28Å; L645-R649 WeakPolarHBondContact O-CB 3.42Å; L645-R649 PolarHBondContact O-N 2.99Å; L645-M656 HydrophobicContact CD2-CE 4.38Å; L645-M656 HydrophobicContact CG-CE 4.22Å
646	Q	82.9	Confident	82.7	Confident	96 Å²	96	55.9 Å²	55.9	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-41.2	172.9	-75.6	-177.7	10.8	0	0	112	E642 Q643 R649 S650	E642-Q646 WeakPolarHBondContact O-CG 3.46Å; E642-Q646 PolarHBondContact O-N 3.34Å; Q643-Q646 PolarHBondContact O-N 3.23Å; Q646-R649 WeakPolarHBondContact O-CB 3.42Å; Q646-R649 PolarHBondContact O-N 2.97Å; Q646-S650 PolarHBondContact O-N 3.48Å; Q646-S650 PolarHBondContact O-OG 3.34Å
647	T	84.5	Confident	84	Confident	81 Å²	81	54.3 Å²	54.3	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-43.6	177.8	-55.3	0	0	0	0	111.3	Q643 A644 L645 R649 S650 Q651	Q643-T647 WeakPolarHBondContact O-CB 3.48Å; Q643-T647 PolarHBondContact O-N 3.49Å; Q643-T647 PolarHBondContact O-OG1 3.49Å; A644-T647 PolarHBondContact O-N 3.09Å; L645-T647 VanDerWaalsContact C-N 3.34Å; T647-R649 VanDerWaalsContact C-N 3.33Å; T647-R649 PolarHBondContact O-N 3.32Å; T647-S650 PolarHBondContact O-N 3.3Å; T647-S650 PolarHBondContact O-OG 3.01Å; T647-Q651 WeakPolarHBondContact O-CG 3.46Å
648	W	87.4	Confident	84.9	Confident	30 Å²	30	54 Å²	54	11%	0.114	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-51.3	173.8	173.6	83.8	0	0	0	110	L621 P625 L628 A644 L645 S650 Q651 R654	L621-W648 HydrophobicContact CB-CZ2 4.48Å; L621-W648 HydrophobicContact CD2-CD2 3.8Å; L621-W648 HydrophobicContact CD2-CE3 3.62Å; L621-W648 HydrophobicContact CD2-CH2 3.52Å; L621-W648 HydrophobicContact CD2-CZ2 3.7Å; L621-W648 HydrophobicContact CD2-CZ3 3.48Å; L621-W648 VanDerWaalsContact CD2-CZ3 3.48Å; P625-W648 HydrophobicContact CG-CH2 4.05Å; L628-W648 HydrophobicContact CD2-CZ3 3.93Å; A644-W648 PolarHBondContact O-N 3.34Å; L645-W648 HydrophobicContact CD1-CE3 4.23Å; L645-W648 PolarHBondContact O-N 2.68Å; W648-S650 PolarHBondContact O-N 2.92Å; W648-Q651 PolarHBondContact O-N 2.93Å; W648-R654 VanDerWaalsContact CZ3-CD 3.45Å; W648-R654 PolarHBondContact O-NH1 3.3Å
649	R	85.3	Confident	85.5	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.045	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-46.9	-178.7	172.4	-157.2	160.6	94.5	31.5	113	G496 K497 V498 L645 Q646 T647 Q651 R654 M656	G496-R649 PolarHBondContact O-NH2 3.11Å; K497-R649 PolarHBondContact O-NH1 3.38Å; K497-R649 PolarHBondContact O-NH2 2.9Å; V498-R649 VanDerWaalsContact N-NH2 3.18Å; L645-R649 VanDerWaalsContact O-CB 3.28Å; L645-R649 WeakPolarHBondContact O-CB 3.42Å; L645-R649 PolarHBondContact O-N 2.99Å; Q646-R649 WeakPolarHBondContact O-CB 3.42Å; Q646-R649 PolarHBondContact O-N 2.97Å; T647-R649 VanDerWaalsContact C-N 3.33Å; T647-R649 PolarHBondContact O-N 3.32Å; R649-Q651 PolarHBondContact O-N 3.5Å; R649-R654 HydrophobicContact CG-CB 4.32Å; R649-R654 PolarHBondContact NH2-O 3.11Å; R649-R654 PolarHBondContact O-N 2.93Å; R649-M656 HydrophobicContact CB-CE 4.44Å; R649-M656 HydrophobicContact CG-CE 4.38Å; R649-M656 PolarHBondContact NH1-SD 2.98Å
650	S	82.8	Confident	85.5	Confident	76 Å²	76	46.9 Å²	46.9	53%	0.531	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-17.3	-173.8	62.4	0	0	0	0	114.4	Q646 T647 W648 E652	Q646-S650 PolarHBondContact O-N 3.48Å; Q646-S650 PolarHBondContact O-OG 3.34Å; T647-S650 PolarHBondContact O-N 3.3Å; T647-S650 PolarHBondContact O-OG 3.01Å; W648-S650 PolarHBondContact O-N 2.92Å; S650-E652 VanDerWaalsContact C-N 3.29Å; S650-E652 PolarHBondContact O-N 2.93Å
651	Q	82.4	Confident	85.2	Confident	135 Å²	135	41.6 Å²	41.6	63%	0.631	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.4	-179.7	-70.8	171.7	1.6	0	0	114.5	T647 W648 R649	T647-Q651 WeakPolarHBondContact O-CG 3.46Å; W648-Q651 PolarHBondContact O-N 2.93Å; R649-Q651 PolarHBondContact O-N 3.5Å
652	E	81.4	Confident	84.7	Confident	65 Å²	65	46.2 Å²	46.2	30%	0.304	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	23.4	-175.7	-63.2	-166.9	-147.4	0	0	113.6	N624 R626 S650 R654	N624-E652 PolarHBondContact ND2-OE1 3.05Å; N624-E652 VanDerWaalsContact ND2-OE1 3.1Å; R626-E652 IonicContact CZ-OE2 3.34Å; R626-E652 PolarHBondContact NH1-O 2.9Å; R626-E652 IonicContact NH1-OE2 3.51Å; R626-E652 IonicContact NH2-OE2 2.75Å; R626-E652 PolarHBondContact NH2-OE2 3.45Å; S650-E652 VanDerWaalsContact C-N 3.29Å; S650-E652 PolarHBondContact O-N 2.93Å; E652-R654 HydrophobicContact CB-CG 4.08Å; E652-R654 PolarHBondContact O-N 3.03Å; E652-R654 IonicContact OE1-CZ 3.12Å; E652-R654 IonicContact OE1-NH2 2.79Å; E652-R654 PolarHBondContact OE1-NH2 3.34Å; E652-R654 IonicContact OE2-NH2 3.92Å
653	D	84.6	Confident	84.1	Confident	109 Å²	109	48.2 Å²	48.2	58%	0.583	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	43.6	-178.7	-64.7	-39	0	0	0	113.4	G496	G496-D653 WeakPolarHBondContact CA-O 3.22Å; G496-D653 PolarHBondContact N-O 3.47Å
654	R	92.1	Very high	83.5	Confident	6 Å²	6	47.2 Å²	47.2	2%	0.023	24%	0.24	C	C	.	.			trans	-72.3	133.3	-176.3	-59.3	-179.4	-177.6	88.8	-8.8	111.1	N624 P625 W648 R649 E652	N624-R654 VanDerWaalsContact OD1-CZ 3.29Å; N624-R654 PolarHBondContact OD1-NE 3.25Å; N624-R654 PolarHBondContact OD1-NH2 3.15Å; P625-R654 WeakPolarHBondContact O-CD 3.49Å; W648-R654 VanDerWaalsContact CZ3-CD 3.45Å; W648-R654 PolarHBondContact O-NH1 3.3Å; R649-R654 HydrophobicContact CG-CB 4.32Å; R649-R654 PolarHBondContact NH2-O 3.11Å; R649-R654 PolarHBondContact O-N 2.93Å; E652-R654 HydrophobicContact CB-CG 4.08Å; E652-R654 PolarHBondContact O-N 3.03Å; E652-R654 IonicContact OE1-CZ 3.12Å; E652-R654 IonicContact OE1-NH2 2.79Å; E652-R654 PolarHBondContact OE1-NH2 3.34Å; E652-R654 IonicContact OE2-NH2 3.92Å
655	T	94.9	Very high	83.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.8	173	-56.2	0	0	0	0	109.3	G466 L493 H494 P495 R626 V627 L628	G466-T655 WeakPolarHBondContact O-CB 3.26Å; G466-T655 PolarHBondContact O-OG1 3.14Å; L493-T655 HydrophobicContact CB-CG2 3.68Å; H494-T655 PolarHBondContact O-OG1 3.5Å; P495-T655 VanDerWaalsContact CA-OG1 3.31Å; P495-T655 WeakPolarHBondContact CA-OG1 3.47Å; R626-T655 PolarHBondContact O-N 3.2Å; V627-T655 WeakPolarHBondContact CA-O 3.37Å; V627-T655 HydrophobicContact CG1-CG2 4.47Å; L628-T655 PolarHBondContact N-O 2.66Å
656	M	93.7	Very high	82.7	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.1	169.9	131	-153.4	-50.7	0	0	113.3	K497 T499 L628 L630 L645 R649 V658	K497-M656 PolarHBondContact O-N 3.48Å; T499-M656 PolarHBondContact N-O 3.08Å; L628-M656 HydrophobicContact CB-CB 4.23Å; L628-M656 HydrophobicContact CD2-CE 3.75Å; L628-M656 HydrophobicContact CG-CE 4.43Å; L628-M656 CarbonylContact O-C 3.51Å; L628-M656 WeakPolarHBondContact O-CA 3.34Å; L628-M656 VanDerWaalsContact O-CB 3.3Å; L628-M656 WeakPolarHBondContact O-CB 3.41Å; L630-M656 HydrophobicContact CD1-CE 4.11Å; L630-M656 HydrophobicContact CD1-SD 4.32Å; L645-M656 HydrophobicContact CD2-CE 4.38Å; L645-M656 HydrophobicContact CG-CE 4.22Å; R649-M656 HydrophobicContact CB-CE 4.44Å; R649-M656 HydrophobicContact CG-CE 4.38Å; R649-M656 PolarHBondContact NH1-SD 2.98Å; M656-V658 HydrophobicContact CG-CG2 3.65Å; M656-V658 HydrophobicContact SD-CG2 4.02Å
657	L	94.3	Very high	82.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.2	175.6	176.4	65.5	0	0	0	108.1	L493 T499 L501 V512 L516 L628 I629 L630	L493-L657 HydrophobicContact CD1-CB 4.16Å; L493-L657 HydrophobicContact CD1-CD2 4.37Å; L493-L657 HydrophobicContact CD2-CD1 4.1Å; T499-L657 HydrophobicContact CG2-CD1 4.26Å; T499-L657 CarbonylContact O-C 3.55Å; T499-L657 WeakPolarHBondContact O-CA 3.38Å; L501-L657 HydrophobicContact CB-CD1 4.02Å; V512-L657 HydrophobicContact CG1-CD2 4.36Å; L516-L657 HydrophobicContact CD1-CD2 3.51Å; L628-L657 PolarHBondContact O-N 3.42Å; I629-L657 CarbonylContact C-O 3.57Å; I629-L657 VanDerWaalsContact CA-O 3.31Å; I629-L657 WeakPolarHBondContact CA-O 3.46Å; I629-L657 HydrophobicContact CG1-CB 4.41Å; I629-L657 HydrophobicContact CG2-CB 4.32Å; I629-L657 HydrophobicContact CG2-CD2 4.07Å; I629-L657 HydrophobicContact CG2-CG 4.31Å; L630-L657 PolarHBondContact N-O 3Å
658	V	91.8	Very high	82	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.5	178.2	-168.8	0	0	0	0	109	V498 T499 A500 L501 L630 M656 A660 T665	V498-V658 HydrophobicContact CG1-CG2 4.08Å; T499-V658 PolarHBondContact O-N 3.26Å; A500-V658 CarbonylContact C-O 3.41Å; A500-V658 VanDerWaalsContact CA-O 3.31Å; A500-V658 WeakPolarHBondContact CA-O 3.38Å; L501-V658 PolarHBondContact N-O 3.4Å; L630-V658 HydrophobicContact CB-CG1 4.29Å; L630-V658 HydrophobicContact CD1-CG2 4.37Å; M656-V658 HydrophobicContact CG-CG2 3.65Å; M656-V658 HydrophobicContact SD-CG2 4.02Å; V658-A660 HydrophobicContact CG1-CB 4.15Å; V658-A660 PolarHBondContact O-N 3.42Å; V658-T665 HydrophobicContact CB-CG2 4.36Å; V658-T665 HydrophobicContact CG1-CG2 3.58Å
659	I	90.4	Very high	81.9	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	96	168.8	-56.6	170.3	0	0	0	105.9	L501 K509 A513 L630 D631 E632	L501-I659 HydrophobicContact CB-CG1 4.43Å; L501-I659 HydrophobicContact CD2-CG1 4.37Å; L501-I659 WeakPolarHBondContact O-CA 3.31Å; K509-I659 HydrophobicContact CB-CD1 4.28Å; K509-I659 HydrophobicContact CB-CG1 4.5Å; K509-I659 HydrophobicContact CB-CG2 3.74Å; K509-I659 HydrophobicContact CD-CG2 3.79Å; K509-I659 HydrophobicContact CG-CG2 4.34Å; A513-I659 HydrophobicContact CB-CD1 4.07Å; L630-I659 PolarHBondContact O-N 3.29Å; D631-I659 HydrophobicContact CB-CB 4.49Å; D631-I659 HydrophobicContact CB-CD1 4.07Å; D631-I659 WeakPolarHBondContact OD1-CB 3.43Å; D631-I659 WeakPolarHBondContact OD1-CG2 3.43Å; E632-I659 PolarHBondContact N-O 2.91Å; E632-I659 VanDerWaalsContact N-O 3.11Å
660	A	76.9	Confident	82.1	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.017	26%	0.257	C	S	.	.			trans	-105.7	133.8	-169.7	0	0	0	0	0	111	L501 V658 T665 V666	L501-A660 PolarHBondContact O-N 3.37Å; V658-A660 HydrophobicContact CG1-CB 4.15Å; V658-A660 PolarHBondContact O-N 3.42Å; A660-T665 HydrophobicContact CB-CG2 3.95Å; A660-V666 HydrophobicContact CB-CG2 3.77Å
661	H	72.1	Confident	82.4	Confident	40 Å²	40	49.6 Å²	49.6	19%	0.185	24%	0.243	C	C	.	.			trans	-107.8	-3.5	163.2	-75.8	-91.2	0	0	0	112	K509 E632 R700	K509-H661 WeakPolarHBondContact CE-NE2 3.19Å; K509-H661 PolarHBondContact NZ-NE2 2.88Å; E632-H661 IonicContact OE1-CD2 2.67Å; E632-H661 PolarHBondContact OE1-CD2 3.31Å; E632-H661 IonicContact OE1-CG 3.85Å; E632-H661 IonicContact OE1-NE2 2.95Å; E632-H661 PolarHBondContact OE1-NE2 2.72Å; H661-R700 PolarHBondContact O-NH1 3.39Å
662	R	68.2	Low	82.7	Confident	104 Å²	104	45.1 Å²	45.1	39%	0.392	23%	0.225	S	C	.	.	S	Bend	trans	-98.4	130.7	-179.1	-71	-174.4	169	-175.9	-2.5	111	T634 S635 H664 T665 V666	T634-R662 PolarHBondContact O-NH1 3.28Å; S635-R662 PolarHBondContact O-NH1 3.39Å; S635-R662 PolarHBondContact O-NH2 3.44Å; R662-H664 VanDerWaalsContact C-N 3.32Å; R662-H664 PolarHBondContact O-N 3.39Å; R662-T665 PolarHBondContact O-N 3.26Å; R662-V666 WeakPolarHBondContact O-CG2 3.2Å; R662-V666 PolarHBondContact O-N 2.81Å
663	L	69.1	Low	83.1	Confident	70 Å²	70	42.9 Å²	42.9	37%	0.366	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-41.5	-178.1	-175	59.7	0	0	0	112.5	T665 V666 Q667 V697	L663-T665 VanDerWaalsContact C-N 3.34Å; L663-T665 PolarHBondContact O-N 3.47Å; L663-V666 PolarHBondContact O-N 3.15Å; L663-V666 VanDerWaalsContact O-N 3.15Å; L663-Q667 HydrophobicContact CD1-CG 4.3Å; L663-Q667 HydrophobicContact CG-CG 4.27Å; L663-Q667 WeakPolarHBondContact O-CG 3.31Å; L663-Q667 PolarHBondContact O-N 3.31Å; L663-V697 HydrophobicContact CD1-CG2 3.52Å; L663-V697 HydrophobicContact CD2-CG1 4.14Å; L663-V697 HydrophobicContact CD2-CG2 3.99Å; L663-V697 HydrophobicContact CG-CG2 4.37Å
664	H	70.1	Confident	83.2	Confident	104 Å²	104	38.3 Å²	38.3	48%	0.481	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-43.4	-179.7	-168.3	60.6	0	0	0	112.3	E642 R662 V666 Q667 N668	E642-H664 IonicContact OE2-CD2 3.96Å; R662-H664 VanDerWaalsContact C-N 3.32Å; R662-H664 PolarHBondContact O-N 3.39Å; H664-V666 VanDerWaalsContact C-N 3.29Å; H664-V666 PolarHBondContact O-N 2.82Å; H664-Q667 PolarHBondContact O-N 3.37Å; H664-N668 PolarHBondContact CE1-ND2 2.86Å; H664-N668 VanDerWaalsContact CE1-ND2 3.33Å; H664-N668 PolarHBondContact NE2-ND2 3.38Å; H664-N668 PolarHBondContact O-N 3.05Å; H664-N668 VanDerWaalsContact O-N 3.15Å; H664-N668 PolarHBondContact O-ND2 3.34Å
665	T	74.1	Confident	83.1	Confident	16 Å²	16	38 Å²	38	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-32.4	177.5	-44.3	0	0	0	0	112.3	V658 A660 R662 L663	V658-T665 HydrophobicContact CB-CG2 4.36Å; V658-T665 HydrophobicContact CG1-CG2 3.58Å; A660-T665 HydrophobicContact CB-CG2 3.95Å; R662-T665 PolarHBondContact O-N 3.26Å; L663-T665 VanDerWaalsContact C-N 3.34Å; L663-T665 PolarHBondContact O-N 3.47Å
666	V	78.4	Confident	82.7	Confident	8 Å²	8	41.9 Å²	41.9	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-75.1	-40.6	175.9	178.8	0	0	0	0	111.4	A500 V502 A660 R662 L663 H664 N668 A669 V672 Y693	A500-V666 HydrophobicContact CB-CG2 4.43Å; V502-V666 HydrophobicContact CG2-CG1 4.19Å; V502-V666 HydrophobicContact CG2-CG2 3.55Å; A660-V666 HydrophobicContact CB-CG2 3.77Å; R662-V666 WeakPolarHBondContact O-CG2 3.2Å; R662-V666 PolarHBondContact O-N 2.81Å; L663-V666 PolarHBondContact O-N 3.15Å; L663-V666 VanDerWaalsContact O-N 3.15Å; H664-V666 VanDerWaalsContact C-N 3.29Å; H664-V666 PolarHBondContact O-N 2.82Å; V666-N668 VanDerWaalsContact C-N 3.29Å; V666-N668 PolarHBondContact O-N 2.84Å; V666-A669 PolarHBondContact O-N 3Å; V666-V672 HydrophobicContact CG1-CG1 3.93Å; V666-V672 HydrophobicContact CG1-CG2 3.93Å; V666-Y693 HydrophobicContact CG1-CE2 3.93Å
667	Q	76.2	Confident	82.4	Confident	118 Å²	118	49 Å²	49	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-63.4	-33.8	178.9	-76.6	175.5	-14.7	0	0	113	L663 H664 A669	L663-Q667 HydrophobicContact CD1-CG 4.3Å; L663-Q667 HydrophobicContact CG-CG 4.27Å; L663-Q667 WeakPolarHBondContact O-CG 3.31Å; L663-Q667 PolarHBondContact O-N 3.31Å; H664-Q667 PolarHBondContact O-N 3.37Å; Q667-A669 VanDerWaalsContact C-N 3.33Å
668	N	76.9	Confident	82	Confident	76 Å²	76	49 Å²	49	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.7	-178.6	-63.5	-20.3	0	0	0	113.4	H664 V666	H664-N668 PolarHBondContact CE1-ND2 2.86Å; H664-N668 VanDerWaalsContact CE1-ND2 3.33Å; H664-N668 PolarHBondContact NE2-ND2 3.38Å; H664-N668 PolarHBondContact O-N 3.05Å; H664-N668 VanDerWaalsContact O-N 3.15Å; H664-N668 PolarHBondContact O-ND2 3.34Å; V666-N668 VanDerWaalsContact C-N 3.29Å; V666-N668 PolarHBondContact O-N 2.84Å
669	A	84.9	Confident	81.9	Confident	17 Å²	17	53.6 Å²	53.6	14%	0.14	26%	0.261	C	S	.	.			trans	-85	140	-179.5	0	0	0	0	0	111.9	V498 A500 V666 Q667 Q671 V672	V498-A669 HydrophobicContact CG1-CB 4.1Å; A500-A669 HydrophobicContact CB-CB 3.58Å; V666-A669 PolarHBondContact O-N 3Å; Q667-A669 VanDerWaalsContact C-N 3.33Å; A669-Q671 PolarHBondContact O-N 3.06Å; A669-V672 HydrophobicContact CB-CG2 4.35Å
670	D	88.6	Confident	81.8	Confident	102 Å²	102	55.8 Å²	55.8	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-68.1	-27.2	175.6	-60.2	-69.1	0	0	0	112.5	K497 V498	K497-D670 WeakPolarHBondContact CA-OD2 3.42Å; K497-D670 HydrophobicContact CB-CB 4.05Å; K497-D670 HydrophobicContact CD-CB 4.21Å; K497-D670 HydrophobicContact CG-CB 4.31Å; V498-D670 PolarHBondContact N-OD2 3.38Å; V498-D670 PolarHBondContact O-N 3.33Å
671	Q	88.8	Confident	82.1	Confident	51 Å²	51	56.8 Å²	56.8	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.6	179.2	-176.3	176.6	3.9	0	0	109.9	T492 V498 T499 A500 A669 L673	T492-Q671 PolarHBondContact O-OE1 3.45Å; V498-Q671 PolarHBondContact O-N 3.18Å; V498-Q671 VanDerWaalsContact O-N 3.1Å; T499-Q671 CarbonylContact C-O 3.58Å; T499-Q671 VanDerWaalsContact CA-O 3.31Å; T499-Q671 WeakPolarHBondContact CA-O 3.42Å; T499-Q671 HydrophobicContact CG2-CB 4.21Å; T499-Q671 HydrophobicContact CG2-CG 4.17Å; A500-Q671 PolarHBondContact N-O 3.41Å; A669-Q671 PolarHBondContact O-N 3.06Å; Q671-L673 HydrophobicContact CG-CD2 4.42Å
672	V	88.8	Confident	82	Confident	41 Å²	41	61.2 Å²	61.2	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.9	176.3	-176.7	0	0	0	0	109.2	A500 V502 V666 A669 V674	A500-V672 HydrophobicContact CB-CG2 4.44Å; A500-V672 CarbonylContact O-C 3.54Å; A500-V672 WeakPolarHBondContact O-CA 3.42Å; V502-V672 HydrophobicContact CG2-CG1 4.29Å; V666-V672 HydrophobicContact CG1-CG1 3.93Å; V666-V672 HydrophobicContact CG1-CG2 3.93Å; A669-V672 HydrophobicContact CB-CG2 4.35Å; V672-V674 HydrophobicContact CG1-CG2 4.35Å
673	L	89.4	Confident	81.4	Confident	18 Å²	18	63 Å²	63	9%	0.094	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.1	176.8	-62.9	178.4	0	0	0	108.9	F491 T499 A500 L501 V502 Q671 L680	F491-L673 HydrophobicContact CB-CD1 4.1Å; F491-L673 HydrophobicContact CB-CD2 4.39Å; F491-L673 HydrophobicContact CD1-CD1 4.43Å; F491-L673 HydrophobicContact CD2-CD1 3.37Å; F491-L673 HydrophobicContact CE2-CD1 3.8Å; F491-L673 HydrophobicContact CG-CD1 3.72Å; F491-L673 HydrophobicContact CZ-CD1 4.47Å; T499-L673 HydrophobicContact CG2-CD1 3.61Å; T499-L673 HydrophobicContact CG2-CG 3.83Å; A500-L673 PolarHBondContact O-N 3.46Å; L501-L673 WeakPolarHBondContact CA-O 3.42Å; L501-L673 HydrophobicContact CD1-CB 3.82Å; V502-L673 PolarHBondContact N-O 3.29Å; Q671-L673 HydrophobicContact CG-CD2 4.42Å; L673-L680 HydrophobicContact CB-CD2 3.92Å; L673-L680 HydrophobicContact CD2-CD2 4.31Å
674	V	88.6	Confident	80.4	Confident	12 Å²	12	64.9 Å²	64.9	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.8	179	-176.1	0	0	0	0	109.5	V502 V672 V681 L686	V502-V674 CarbonylContact O-C 3.55Å; V502-V674 WeakPolarHBondContact O-CA 3.19Å; V672-V674 HydrophobicContact CG1-CG2 4.35Å; V674-V681 HydrophobicContact CB-CB 4.42Å; V674-V681 HydrophobicContact CG1-CG2 4.28Å; V674-V681 PolarHBondContact O-N 3Å; V674-L686 HydrophobicContact CB-CD2 4.41Å; V674-L686 HydrophobicContact CG2-CD1 4.25Å; V674-L686 HydrophobicContact CG2-CD2 3.95Å
675	L	89.1	Confident	79.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.3	-177.3	-166.1	73.9	0	0	0	110.4	L486 L489 L501 V502 G503 S507 K509 V512 Q679 L680	L486-L675 HydrophobicContact CD2-CD2 4.32Å; L489-L675 HydrophobicContact CD2-CD1 3.75Å; L489-L675 HydrophobicContact CG-CD1 4.22Å; L501-L675 HydrophobicContact CD1-CB 4.09Å; V502-L675 PolarHBondContact O-N 3.24Å; G503-L675 WeakPolarHBondContact CA-O 3.41Å; S507-L675 WeakPolarHBondContact CB-O 3.47Å; S507-L675 WeakPolarHBondContact O-CD2 3.27Å; S507-L675 WeakPolarHBondContact O-CG 3.32Å; S507-L675 PolarHBondContact OG-O 3.28Å; K509-L675 HydrophobicContact CG-CD2 4.24Å; V512-L675 HydrophobicContact CG2-CD2 4.47Å; L675-Q679 WeakPolarHBondContact CA-O 3.48Å; L675-Q679 WeakPolarHBondContact CD1-O 3.41Å; L675-L680 HydrophobicContact CD1-CD2 4.34Å; L675-L680 HydrophobicContact CD1-CG 4.46Å
676	K	87.1	Confident	78.4	Confident	81 Å²	81	65.8 Å²	65.8	35%	0.352	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.8	-179.7	-171.3	176.1	178.8	-178	0	108.5	G678 Q679 V681 E689	K676-G678 PolarHBondContact O-N 3.01Å; K676-G678 VanDerWaalsContact O-N 3.08Å; K676-Q679 PolarHBondContact N-O 3.33Å; K676-Q679 PolarHBondContact O-N 3.38Å; K676-V681 HydrophobicContact CB-CG2 3.66Å; K676-V681 HydrophobicContact CD-CG2 4.18Å; K676-E689 IonicContact NZ-OE1 2.99Å; K676-E689 PolarHBondContact NZ-OE1 2.9Å; K676-E689 IonicContact NZ-OE2 3.88Å; K676-E689 PolarHBondContact NZ-OE2 2.92Å
677	Q	86.1	Confident	76.8	Confident	163 Å²	163	74.4 Å²	74.4	76%	0.762	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	35.9	179.8	-61.5	-177.6	-13.8	0	0	114.7
678	G	86.3	Confident	75.3	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	10.8	178.8	0	0	0	0	0	115.5	V485 Q487 L489 S507 K676	V485-G678 WeakPolarHBondContact O-CA 3.48Å; Q487-G678 PolarHBondContact N-O 3.47Å; L489-G678 WeakPolarHBondContact CD1-O 3.31Å; S507-G678 WeakPolarHBondContact O-CA 3.34Å; S507-G678 PolarHBondContact O-N 3.46Å; S507-G678 VanDerWaalsContact O-N 3.15Å; K676-G678 PolarHBondContact O-N 3.01Å; K676-G678 VanDerWaalsContact O-N 3.08Å
679	Q	89.8	Confident	73.9	Confident	101 Å²	101	75.8 Å²	75.8	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.2	174.8	-64	-178.5	5.1	0	0	110.4	Q487 L675 K676	Q487-Q679 HydrophobicContact CB-CG 3.83Å; L675-Q679 WeakPolarHBondContact CA-O 3.48Å; L675-Q679 WeakPolarHBondContact CD1-O 3.41Å; K676-Q679 PolarHBondContact N-O 3.33Å; K676-Q679 PolarHBondContact O-N 3.38Å
680	L	88.5	Confident	72	Confident	48 Å²	48	82.6 Å²	82.6	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.6	172.1	-76.8	168.7	0	0	0	109.8	T490 F491 L673 L675	T490-L680 WeakPolarHBondContact O-CD1 3.35Å; F491-L680 HydrophobicContact CB-CD1 3.91Å; F491-L680 HydrophobicContact CD1-CD1 3.71Å; F491-L680 HydrophobicContact CG-CD1 4.17Å; L673-L680 HydrophobicContact CB-CD2 3.92Å; L673-L680 HydrophobicContact CD2-CD2 4.31Å; L675-L680 HydrophobicContact CD1-CD2 4.34Å; L675-L680 HydrophobicContact CD1-CG 4.46Å
681	V	83.3	Confident	70.3	Confident	23 Å²	23	82.2 Å²	82.2	14%	0.139	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-82.3	130.4	174.6	-175.7	0	0	0	0	109	V674 K676 Q685 L686	V674-V681 HydrophobicContact CB-CB 4.42Å; V674-V681 HydrophobicContact CG1-CG2 4.28Å; V674-V681 PolarHBondContact O-N 3Å; K676-V681 HydrophobicContact CB-CG2 3.66Å; K676-V681 HydrophobicContact CD-CG2 4.18Å; V681-Q685 HydrophobicContact CG1-CB 3.91Å; V681-L686 HydrophobicContact CG1-CG 4.13Å
682	E	70	Confident	68.4	Low	132 Å²	132	81.8 Å²	81.8	62%	0.617	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-70.9	150.3	179.9	-69.1	-175.7	166.5	0	0	112.4	D684 Q685 L686	E682-D684 PolarHBondContact O-N 2.88Å; E682-Q685 PolarHBondContact O-N 2.94Å; E682-Q685 VanDerWaalsContact O-N 3.13Å; E682-L686 PolarHBondContact O-N 3.39Å; E682-L686 VanDerWaalsContact O-N 3.12Å
683	H	56	Low	66.6	Low	142 Å²	142	84.3 Å²	84.3	66%	0.657	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.6	-177.9	-101.4	-74.4	0	0	0	114.2	R687	H683-R687 PolarHBondContact O-N 3.46Å
684	D	47.9	Very low	64.7	Low	110 Å²	110	85.3 Å²	85.3	59%	0.588	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-36.5	177.9	-68.6	-28.7	0	0	0	111.6	E682 L686 R687 D688	E682-D684 PolarHBondContact O-N 2.88Å; D684-L686 VanDerWaalsContact C-N 3.28Å; D684-L686 PolarHBondContact O-N 2.96Å; D684-R687 PolarHBondContact O-N 3.33Å; D684-R687 VanDerWaalsContact O-N 3.13Å; D684-D688 PolarHBondContact O-N 2.94Å
685	Q	48.8	Very low	63	Low	101 Å²	101	88.8 Å²	88.8	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-66.6	-29.9	172.2	-67.9	178.8	-2	0	0	112	V681 E682 R687 E689	V681-Q685 HydrophobicContact CG1-CB 3.91Å; E682-Q685 PolarHBondContact O-N 2.94Å; E682-Q685 VanDerWaalsContact O-N 3.13Å; Q685-R687 VanDerWaalsContact C-N 3.28Å; Q685-R687 PolarHBondContact O-N 3.37Å; Q685-E689 WeakPolarHBondContact O-CA 3.36Å; Q685-E689 WeakPolarHBondContact O-CB 3.33Å; Q685-E689 PolarHBondContact O-N 3.04Å
686	L	53	Low	61.1	Low	38 Å²	38	92 Å²	92	20%	0.199	44%	0.443	C	S	.	.	H	α-helix	trans	-69.3	-22.3	173.1	-80.8	154.5	0	0	0	113.7	V674 V681 E682 D684	V674-L686 HydrophobicContact CB-CD2 4.41Å; V674-L686 HydrophobicContact CG2-CD1 4.25Å; V674-L686 HydrophobicContact CG2-CD2 3.95Å; V681-L686 HydrophobicContact CG1-CG 4.13Å; E682-L686 PolarHBondContact O-N 3.39Å; E682-L686 VanDerWaalsContact O-N 3.12Å; D684-L686 VanDerWaalsContact C-N 3.28Å; D684-L686 PolarHBondContact O-N 2.96Å
687	R	45.7	Very low	59.1	Low	189 Å²	189	90 Å²	90	71%	0.713	44%	0.438	S	S	*	.	H	α-helix	trans	-85.8	-36.5	176.3	-75.8	-179.6	168.9	-179.6	-1.6	112.3	H683 D684 Q685	H683-R687 PolarHBondContact O-N 3.46Å; D684-R687 PolarHBondContact O-N 3.33Å; D684-R687 VanDerWaalsContact O-N 3.13Å; Q685-R687 VanDerWaalsContact C-N 3.28Å; Q685-R687 PolarHBondContact O-N 3.37Å
688	D	44.9	Very low	56.9	Low	149 Å²	149	87.1 Å²	87.1	80%	0.797	42%	0.424	S	S	*	.	H	α-helix	trans	-82.5	-37.2	177.1	-74.3	-17.1	0	0	0	112.2	D684 Q690	D684-D688 PolarHBondContact O-N 2.94Å; D688-Q690 VanDerWaalsContact C-N 3.27Å; D688-Q690 PolarHBondContact O-N 3.33Å
689	E	46.2	Very low	54.8	Low	74 Å²	74	93.5 Å²	93.5	35%	0.346	45%	0.454	S	S	.	.			trans	-84.9	64.1	164.1	-61.5	-170.8	165.3	0	0	109.8	K676 Q685 D691 V692	K676-E689 IonicContact NZ-OE1 2.99Å; K676-E689 PolarHBondContact NZ-OE1 2.9Å; K676-E689 IonicContact NZ-OE2 3.88Å; K676-E689 PolarHBondContact NZ-OE2 2.92Å; Q685-E689 WeakPolarHBondContact O-CA 3.36Å; Q685-E689 WeakPolarHBondContact O-CB 3.33Å; Q685-E689 PolarHBondContact O-N 3.04Å; E689-D691 PolarHBondContact O-N 2.86Å; E689-V692 HydrophobicContact CB-CG2 4.5Å; E689-V692 PolarHBondContact O-N 2.93Å; E689-V692 WeakPolarHBondContact OE2-CG2 3.23Å
690	Q	45.5	Very low	52.6	Low	159 Å²	159	95.5 Å²	95.5	74%	0.743	46%	0.457	S	S	*	.	H	α-helix	trans	-46.6	-21.9	165.2	-79.7	-174.8	-13.4	0	0	111.9	D688 A694	D688-Q690 VanDerWaalsContact C-N 3.27Å; D688-Q690 PolarHBondContact O-N 3.33Å; Q690-A694 WeakPolarHBondContact O-CB 3.49Å; Q690-A694 PolarHBondContact O-N 3.23Å; Q690-A694 VanDerWaalsContact O-N 3.16Å
691	D	52	Low	50	Low	95 Å²	95	100 Å²	100	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-70.8	-30.2	-176.3	-119.7	-1.9	0	0	0	116.7	E689 H695	E689-D691 PolarHBondContact O-N 2.86Å; D691-H695 VanDerWaalsContact CG-CD2 3.44Å; D691-H695 VanDerWaalsContact O-CA 3.31Å; D691-H695 WeakPolarHBondContact O-CA 3.32Å; D691-H695 WeakPolarHBondContact O-CB 3.45Å; D691-H695 PolarHBondContact O-CD2 2.79Å; D691-H695 VanDerWaalsContact O-CD2 3.31Å; D691-H695 PolarHBondContact O-N 3.44Å; D691-H695 IonicContact OD1-CD2 2.71Å; D691-H695 PolarHBondContact OD1-CD2 3.3Å; D691-H695 IonicContact OD1-NE2 3.41Å; D691-H695 PolarHBondContact OD1-NE2 2.89Å; D691-H695 IonicContact OD2-CD2 3.31Å
692	V	50.3	Low	47.5	Very low	41 Å²	41	106.7 Å²	106.7	25%	0.248	51%	0.51	C	S	.	.	H	α-helix	trans	-82.9	-44.1	-173.8	179.7	0	0	0	0	112.3	E689 L696	E689-V692 HydrophobicContact CB-CG2 4.5Å; E689-V692 PolarHBondContact O-N 2.93Å; E689-V692 WeakPolarHBondContact OE2-CG2 3.23Å; V692-L696 HydrophobicContact CG1-CD1 4.37Å; V692-L696 WeakPolarHBondContact O-CB 3.36Å; V692-L696 WeakPolarHBondContact O-CG 3.49Å; V692-L696 PolarHBondContact O-N 3.04Å; V692-L696 VanDerWaalsContact O-N 3.13Å
693	Y	51	Low	45.6	Very low	95 Å²	95	106.9 Å²	106.9	37%	0.373	53%	0.534	S	S	.	.	H	α-helix	trans	-71.8	-39.8	173.5	-162.6	-95.4	0	0	0	110.3	V666 V697	V666-Y693 HydrophobicContact CG1-CE2 3.93Å; Y693-V697 HydrophobicContact CD1-CG2 4.49Å; Y693-V697 WeakPolarHBondContact O-CB 3.44Å; Y693-V697 WeakPolarHBondContact O-CG2 3.26Å; Y693-V697 PolarHBondContact O-N 2.89Å
694	A	49.4	Very low	45.1	Very low	38 Å²	38	105.1 Å²	105.1	31%	0.314	53%	0.528	S	S	.	.	H	α-helix	trans	-70.3	-40.7	173.4	0	0	0	0	0	112.8	Q690 L696 V697 Q698	Q690-A694 WeakPolarHBondContact O-CB 3.49Å; Q690-A694 PolarHBondContact O-N 3.23Å; Q690-A694 VanDerWaalsContact O-N 3.16Å; A694-L696 PolarHBondContact O-N 3.31Å; A694-V697 CarbonylContact O-C 3.56Å; A694-V697 WeakPolarHBondContact O-CB 3.49Å; A694-V697 PolarHBondContact O-N 3.45Å; A694-V697 VanDerWaalsContact O-N 3.14Å; A694-Q698 WeakPolarHBondContact O-CA 3.37Å; A694-Q698 WeakPolarHBondContact O-CB 3.36Å; A694-Q698 PolarHBondContact O-N 2.97Å
695	H	51.7	Low	44.9	Very low	86 Å²	86	104.8 Å²	104.8	40%	0.398	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-38.4	175.8	-97.8	-72	0	0	0	112.6	D691 V697 Q698 Q699	D691-H695 VanDerWaalsContact CG-CD2 3.44Å; D691-H695 VanDerWaalsContact O-CA 3.31Å; D691-H695 WeakPolarHBondContact O-CA 3.32Å; D691-H695 WeakPolarHBondContact O-CB 3.45Å; D691-H695 PolarHBondContact O-CD2 2.79Å; D691-H695 VanDerWaalsContact O-CD2 3.31Å; D691-H695 PolarHBondContact O-N 3.44Å; D691-H695 IonicContact OD1-CD2 2.71Å; D691-H695 PolarHBondContact OD1-CD2 3.3Å; D691-H695 IonicContact OD1-NE2 3.41Å; D691-H695 PolarHBondContact OD1-NE2 2.89Å; D691-H695 IonicContact OD2-CD2 3.31Å; H695-V697 PolarHBondContact O-N 2.91Å; H695-Q698 PolarHBondContact O-N 3.3Å; H695-Q699 VanDerWaalsContact O-CB 3.23Å; H695-Q699 WeakPolarHBondContact O-CB 2.96Å; H695-Q699 WeakPolarHBondContact O-CG 3.37Å; H695-Q699 PolarHBondContact O-N 3.05Å
696	L	50	Low	44.7	Very low	66 Å²	66	105.1 Å²	105.1	35%	0.346	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-31.5	175.6	-83.7	164.1	0	0	0	111.9	V502 V692 A694	V502-L696 HydrophobicContact CG1-CD1 4.13Å; V692-L696 HydrophobicContact CG1-CD1 4.37Å; V692-L696 WeakPolarHBondContact O-CB 3.36Å; V692-L696 WeakPolarHBondContact O-CG 3.49Å; V692-L696 PolarHBondContact O-N 3.04Å; V692-L696 VanDerWaalsContact O-N 3.13Å; A694-L696 PolarHBondContact O-N 3.31Å
697	V	45.1	Very low	44.2	Very low	41 Å²	41	109 Å²	109	25%	0.248	55%	0.547	C	S	.	.	H	α-helix	trans	-76.5	-39.7	173.1	171.6	0	0	0	0	111.8	L663 Y693 A694 H695 L701	L663-V697 HydrophobicContact CD1-CG2 3.52Å; L663-V697 HydrophobicContact CD2-CG1 4.14Å; L663-V697 HydrophobicContact CD2-CG2 3.99Å; L663-V697 HydrophobicContact CG-CG2 4.37Å; Y693-V697 HydrophobicContact CD1-CG2 4.49Å; Y693-V697 WeakPolarHBondContact O-CB 3.44Å; Y693-V697 WeakPolarHBondContact O-CG2 3.26Å; Y693-V697 PolarHBondContact O-N 2.89Å; A694-V697 CarbonylContact O-C 3.56Å; A694-V697 WeakPolarHBondContact O-CB 3.49Å; A694-V697 PolarHBondContact O-N 3.45Å; A694-V697 VanDerWaalsContact O-N 3.14Å; H695-V697 PolarHBondContact O-N 2.91Å; V697-L701 HydrophobicContact CG1-CD1 3.95Å; V697-L701 PolarHBondContact O-N 3.39Å
698	Q	40.1	Very low	44.1	Very low	101 Å²	101	104 Å²	104	47%	0.472	54%	0.537	S	S	.	.	H	α-helix	trans	-84.6	-37.7	-170.8	-161.3	167.4	3.3	0	0	112.3	A694 H695 R700 L701	A694-Q698 WeakPolarHBondContact O-CA 3.37Å; A694-Q698 WeakPolarHBondContact O-CB 3.36Å; A694-Q698 PolarHBondContact O-N 2.97Å; H695-Q698 PolarHBondContact O-N 3.3Å; Q698-R700 PolarHBondContact O-N 3.09Å; Q698-R700 VanDerWaalsContact O-N 3.12Å; Q698-L701 PolarHBondContact O-N 2.88Å
699	Q	42	Very low	44.1	Very low	134 Å²	134	101 Å²	101	63%	0.626	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	172.4	-81.5	-172	-28.8	0	0	114	H695	H695-Q699 VanDerWaalsContact O-CB 3.23Å; H695-Q699 WeakPolarHBondContact O-CB 2.96Å; H695-Q699 WeakPolarHBondContact O-CG 3.37Å; H695-Q699 PolarHBondContact O-N 3.05Å
700	R	43.5	Very low	43.9	Very low	143 Å²	143	102.9 Å²	102.9	54%	0.54	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.4	-179.6	-77.3	-168.1	176.5	-168.7	1.9	114.9	H661 Q698 E702	H661-R700 PolarHBondContact O-NH1 3.39Å; Q698-R700 PolarHBondContact O-N 3.09Å; Q698-R700 VanDerWaalsContact O-N 3.12Å; R700-E702 VanDerWaalsContact C-N 3.35Å
701	L	33.9	Very low	43.8	Very low	142 Å²	142	98.6 Å²	98.6	74%	0.743	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.9	166.1	-81.5	159.9	0	0	0	111.6	V697 Q698	V697-L701 HydrophobicContact CG1-CD1 3.95Å; V697-L701 PolarHBondContact O-N 3.39Å; Q698-L701 PolarHBondContact O-N 2.88Å
702	E	30.4	Very low	43.1	Very low	164 Å²	164	98.9 Å²	98.9	77%	0.766	52%	0.517	S	S	*	.			trans	-102.6	1.8	-179.2	-66.2	-177.5	174.9	0	0	114.5	R700	R700-E702 VanDerWaalsContact C-N 3.35Å
703	A	30.3	Very low	42.5	Very low	136 Å²	136	104.2 Å²	104.2	100%	1.124	54%	0.541	S	S	*	.			trans	-121.7	0	174.5	0	0	0	0	0	110

Retrieved 703 of 703 residues in 779.1 ms (Link to these results)

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