X2JJX6_DROME Loading...

Leucine-rich repeat-containing G protein-coupled receptor 4, isoform C

AlphaFold DB , UniProt , Accession X2JJX6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Lgr4, Length 809 aa.

						>X2JJX6_DROME|X2JJX6|Lgr4
MSIAIMPHLPITFTLAILLAIASNEGAQGVESATRTAIEAIRTGIGTKPETEIADATEAEAPVREVISLLGIIDGAESDILVPDADDKCPGGYFHCNTTAQCVPQRANCDGSVDCDDASDEVNCVNEVDAKYWDHLYRKQPFGRHDNLRIGECLWPNENFSCPCRGDEILCRFQQLTDIPERLPQHDLATLDLTGNNFETIHETFFSELPDVDSLVLKFCSIREIASHAFDRLADNPLRTLYMDDNKLPHLPEHFFPEGNQLSILILARNHLHHLKRSDFLNLQKLQELDLRGNRIGNFEAEVFARLPNLEVLYLNENHLKRLDPDRFPRTLLNLHTLSLAYNQIEDIAANTFPFPRLRYLFLAGNRLSHIRDETFCNLSNLQGLHLNENRIEGFDLEAFACLKNLSSLLLTGNRFQTLDSRVLKNLTSLDYIYFSWFHLCSAAMNVRVCDPHGDGISSKLHLLDNQILRGSVWVMASIAVVGNLLVLLGRYFYKSRSNVEHSLYLRHLAASDFLMGIYLTLIACADISFRGEYIKYEETWRHSGVCAFAGFLSTFSCQSSTLLLTLVTWDRLMSVTRPLKPRDTEKVRIVLRLLLLWGISFGLAAAPLLPNPYFGSHFYGNNGVCLSLHIHDPYAKGWEYSALLFILVNTLSLIFILFSYIRMLQAIRDSGGGMRSTHSGRENVVATRFAIIVTTDCACWLPIIVVKLAALSGCEISPDLYAWLAVLVLPVNSALNPVLYTLTTAAFKQQLRRYCHTLPSCSLVNNETRSQTQTAYESGLSVSLAHLGGGVGGGSGRKRMSHRQMSYL
					

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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	30.7	Very low	36.1	Very low	237 Å²	237	115.7 Å²	115.7	100%	1.167	64%	0.643	S	S	*	*				0	100.1	0	-83.8	179	173.2	0	0	107.1	I3	M1-I3 PolarHBondContact O-N 3.2Å; M1-I3 VanDerWaalsContact O-N 3.11Å
2	S	27.3	Very low	37.1	Very low	123 Å²	123	109.4 Å²	109.4	86%	0.86	61%	0.61	S	S	*	*			trans	-66.5	106.2	179.4	-45.2	0	0	0	0	108.2	A4	S2-A4 PolarHBondContact O-N 3.36Å
3	I	28.2	Very low	37.8	Very low	147 Å²	147	111.2 Å²	111.2	75%	0.754	61%	0.608	S	S	*	*			trans	-71.3	93.7	168.9	-61.8	174.6	0	0	0	104.7	M1 I5	M1-I3 PolarHBondContact O-N 3.2Å; M1-I3 VanDerWaalsContact O-N 3.11Å; I3-I5 HydrophobicContact CG2-CG1 3.89Å; I3-I5 PolarHBondContact O-N 2.93Å
4	A	32.9	Very low	38.3	Very low	88 Å²	88	106.4 Å²	106.4	73%	0.727	58%	0.584	S	S	*	*			trans	-62.8	94.3	163.3	0	0	0	0	0	106.2	S2 M6	S2-A4 PolarHBondContact O-N 3.36Å; A4-M6 VanDerWaalsContact C-N 3.35Å; A4-M6 PolarHBondContact O-N 2.67Å
5	I	33.4	Very low	38.9	Very low	117 Å²	117	105.9 Å²	105.9	60%	0.6	58%	0.58	S	S	*	*			trans	-65.9	100.2	176.1	-62.8	173.4	0	0	0	105.5	I3	I3-I5 HydrophobicContact CG2-CG1 3.89Å; I3-I5 PolarHBondContact O-N 2.93Å
6	M	36.2	Very low	39.5	Very low	131 Å²	131	99.9 Å²	99.9	65%	0.645	55%	0.548	S	S	*	.			trans	-57.5	130.1	179	-75.2	-173.6	161.6	0	0	109.6	A4 H8 L9	A4-M6 VanDerWaalsContact C-N 3.35Å; A4-M6 PolarHBondContact O-N 2.67Å; M6-H8 PolarHBondContact O-N 3.22Å; M6-L9 WeakPolarHBondContact O-CB 3.4Å; M6-L9 PolarHBondContact O-N 3.31Å
7	P	38.5	Very low	39.9	Very low	88 Å²	88	96.8 Å²	96.8	57%	0.571	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.3	-178	20.9	-31.3	0	0	0	113.8	P10	P7-P10 WeakPolarHBondContact O-CD 3.46Å
8	H	41.6	Very low	40	Very low	126 Å²	126	95.2 Å²	95.2	58%	0.583	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.9	178.6	-55.6	-59	0	0	0	114.7	M6 P10 I11 T12	M6-H8 PolarHBondContact O-N 3.22Å; H8-P10 VanDerWaalsContact C-N 3.34Å; H8-I11 PolarHBondContact O-N 3.15Å; H8-T12 PolarHBondContact O-N 2.66Å; H8-T12 VanDerWaalsContact O-N 3.1Å; H8-T12 PolarHBondContact O-OG1 3.1Å; H8-T12 VanDerWaalsContact O-OG1 3.08Å
9	L	39.9	Very low	40.4	Very low	101 Å²	101	95.3 Å²	95.3	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-56.8	-38.8	177.7	-158.8	76.7	0	0	0	113.4	M6 T12 F13	M6-L9 WeakPolarHBondContact O-CB 3.4Å; M6-L9 PolarHBondContact O-N 3.31Å; L9-T12 WeakPolarHBondContact CA-OG1 3.35Å; L9-T12 PolarHBondContact O-OG1 2.97Å; L9-F13 VanDerWaalsContact O-CB 3.27Å; L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 3.45Å
10	P	42.3	Very low	40.6	Very low	35 Å²	35	91.1 Å²	91.1	23%	0.227	50%	0.499	C	S	.	.	H	α-helix	trans	-63.6	-46.2	178.3	-20.2	32.1	0	0	0	112.1	P7 H8 T12 F13 T14	P7-P10 WeakPolarHBondContact O-CD 3.46Å; H8-P10 VanDerWaalsContact C-N 3.34Å; P10-T12 PolarHBondContact O-N 3.44Å; P10-F13 PolarHBondContact O-N 3.46Å; P10-T14 WeakPolarHBondContact O-CB 3.42Å; P10-T14 PolarHBondContact O-N 3.1Å; P10-T14 PolarHBondContact O-OG1 2.92Å
11	I	46	Very low	40.8	Very low	80 Å²	80	89.4 Å²	89.4	41%	0.41	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-46.2	-178.3	-58.4	173	0	0	0	110.2	H8 T14 L15	H8-I11 PolarHBondContact O-N 3.15Å; I11-T14 PolarHBondContact O-N 3.26Å; I11-L15 VanDerWaalsContact O-CB 3.3Å; I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 PolarHBondContact O-N 3.15Å
12	T	47.9	Very low	41.2	Very low	40 Å²	40	82 Å²	82	25%	0.245	47%	0.465	C	S	.	.	H	α-helix	trans	-64	-40.7	178.3	51.4	0	0	0	0	112.4	H8 L9 P10 L15 A16 I41	H8-T12 PolarHBondContact O-N 2.66Å; H8-T12 VanDerWaalsContact O-N 3.1Å; H8-T12 PolarHBondContact O-OG1 3.1Å; H8-T12 VanDerWaalsContact O-OG1 3.08Å; L9-T12 WeakPolarHBondContact CA-OG1 3.35Å; L9-T12 PolarHBondContact O-OG1 2.97Å; P10-T12 PolarHBondContact O-N 3.44Å; T12-L15 PolarHBondContact O-N 3.11Å; T12-A16 WeakPolarHBondContact O-CB 3.48Å; T12-A16 PolarHBondContact O-N 3.38Å; T12-I41 HydrophobicContact CG2-CD1 3.51Å
13	F	46.6	Very low	42.3	Very low	132 Å²	132	78.9 Å²	78.9	58%	0.579	44%	0.443	S	S	*	.	H	α-helix	trans	-66.6	-43.2	177.5	-158.6	-103.4	0	0	0	111.5	L9 P10 A16 I17	L9-F13 VanDerWaalsContact O-CB 3.27Å; L9-F13 WeakPolarHBondContact O-CB 3.27Å; L9-F13 PolarHBondContact O-N 3.45Å; P10-F13 PolarHBondContact O-N 3.46Å; F13-A16 PolarHBondContact O-N 2.8Å; F13-I17 HydrophobicContact CD1-CD1 3.52Å; F13-I17 HydrophobicContact CD1-CG1 4.41Å; F13-I17 HydrophobicContact CE1-CD1 3.48Å; F13-I17 VanDerWaalsContact CE1-CD1 3.48Å; F13-I17 HydrophobicContact CE1-CG1 4.41Å; F13-I17 HydrophobicContact CG-CD1 4.43Å; F13-I17 HydrophobicContact CZ-CD1 4.35Å; F13-I17 WeakPolarHBondContact O-CB 3.27Å; F13-I17 VanDerWaalsContact O-CG1 3.23Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 PolarHBondContact O-N 3.43Å
14	T	45	Very low	43	Very low	44 Å²	44	78.6 Å²	78.6	27%	0.27	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-43.4	174.5	-51.4	0	0	0	0	111.5	P10 I11 I17 L18	P10-T14 WeakPolarHBondContact O-CB 3.42Å; P10-T14 PolarHBondContact O-N 3.1Å; P10-T14 PolarHBondContact O-OG1 2.92Å; I11-T14 PolarHBondContact O-N 3.26Å; T14-I17 PolarHBondContact O-N 3.1Å; T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 WeakPolarHBondContact O-CB 3.33Å; T14-L18 VanDerWaalsContact O-CG 3.28Å; T14-L18 WeakPolarHBondContact O-CG 3.42Å; T14-L18 PolarHBondContact O-N 3.3Å
15	L	47.8	Very low	43.4	Very low	100 Å²	100	80.1 Å²	80.1	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-67.1	-41.5	179.1	-151.6	86	0	0	0	111.8	I11 T12 L18 L19	I11-L15 VanDerWaalsContact O-CB 3.3Å; I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 PolarHBondContact O-N 3.15Å; T12-L15 PolarHBondContact O-N 3.11Å; L15-L18 PolarHBondContact O-N 3.43Å; L15-L19 HydrophobicContact CD2-CD1 4.3Å; L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.08Å
16	A	48.1	Very low	43.9	Very low	9 Å²	9	77.2 Å²	77.2	7%	0.074	43%	0.434	C	S	.	.	H	α-helix	trans	-64.1	-40.8	176.3	0	0	0	0	0	111.6	T12 F13 L19 A20	T12-A16 WeakPolarHBondContact O-CB 3.48Å; T12-A16 PolarHBondContact O-N 3.38Å; F13-A16 PolarHBondContact O-N 2.8Å; A16-L19 PolarHBondContact O-N 3.23Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.72Å
17	I	45.3	Very low	44.4	Very low	48 Å²	48	75.2 Å²	75.2	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-62.3	-46.6	172.6	-72.1	169.1	0	0	0	110.4	F13 T14 L19 A20 I21 A699	F13-I17 HydrophobicContact CD1-CD1 3.52Å; F13-I17 HydrophobicContact CD1-CG1 4.41Å; F13-I17 HydrophobicContact CE1-CD1 3.48Å; F13-I17 VanDerWaalsContact CE1-CD1 3.48Å; F13-I17 HydrophobicContact CE1-CG1 4.41Å; F13-I17 HydrophobicContact CG-CD1 4.43Å; F13-I17 HydrophobicContact CZ-CD1 4.35Å; F13-I17 WeakPolarHBondContact O-CB 3.27Å; F13-I17 VanDerWaalsContact O-CG1 3.23Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 PolarHBondContact O-N 3.43Å; T14-I17 PolarHBondContact O-N 3.1Å; I17-L19 PolarHBondContact O-N 3.38Å; I17-A20 PolarHBondContact O-N 3.11Å; I17-I21 HydrophobicContact CG2-CD1 3.52Å; I17-I21 HydrophobicContact CG2-CG1 4.23Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.39Å; I17-I21 PolarHBondContact O-N 3.01Å; I17-A699 HydrophobicContact CD1-CB 4.31Å
18	L	43	Very low	44.8	Very low	67 Å²	67	79.1 Å²	79.1	35%	0.351	45%	0.449	S	S	.	.	H	α-helix	trans	-61.6	-42.7	178.7	-74.9	168	0	0	0	111.9	T14 L15 I21 A22 L736	T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 WeakPolarHBondContact O-CB 3.33Å; T14-L18 VanDerWaalsContact O-CG 3.28Å; T14-L18 WeakPolarHBondContact O-CG 3.42Å; T14-L18 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.43Å; L18-I21 PolarHBondContact O-N 2.92Å; L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.21Å; L18-A22 PolarHBondContact O-N 3.07Å; L18-L736 HydrophobicContact CD2-CD1 4.37Å; L18-L736 HydrophobicContact CD2-CD2 4.11Å
19	L	46.8	Very low	45.1	Very low	97 Å²	97	73.4 Å²	73.4	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.2	-84.7	157.9	0	0	0	112	L15 A16 I17 A22 S23	L15-L19 HydrophobicContact CD2-CD1 4.3Å; L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 3.23Å; I17-L19 PolarHBondContact O-N 3.38Å; L19-A22 PolarHBondContact O-N 3.42Å; L19-S23 PolarHBondContact O-N 2.8Å; L19-S23 PolarHBondContact O-OG 3.44Å
20	A	44.8	Very low	45.4	Very low	12 Å²	12	71.6 Å²	71.6	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-66.7	-39.5	177.3	0	0	0	0	0	112.6	A16 I17 A22 S23 N24 V30	A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.72Å; I17-A20 PolarHBondContact O-N 3.11Å; A20-A22 VanDerWaalsContact C-N 3.3Å; A20-A22 PolarHBondContact O-N 3.25Å; A20-S23 PolarHBondContact O-N 3.07Å; A20-S23 PolarHBondContact O-OG 3.34Å; A20-N24 PolarHBondContact O-N 2.82Å; A20-V30 HydrophobicContact CB-CG2 3.74Å
21	I	43.9	Very low	45.8	Very low	56 Å²	56	75.1 Å²	75.1	29%	0.287	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-39.2	173.2	-68.9	169.2	0	0	0	110.2	I17 L18 I692 T696 L740	I17-I21 HydrophobicContact CG2-CD1 3.52Å; I17-I21 HydrophobicContact CG2-CG1 4.23Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.39Å; I17-I21 PolarHBondContact O-N 3.01Å; L18-I21 PolarHBondContact O-N 2.92Å; I21-I692 HydrophobicContact CD1-CG2 4.35Å; I21-I692 HydrophobicContact CG2-CG2 4.23Å; I21-T696 HydrophobicContact CD1-CG2 3.99Å; I21-L740 HydrophobicContact CG2-CD2 4.32Å
22	A	40.5	Very low	46	Very low	82 Å²	82	74.5 Å²	74.5	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-70	-36.6	179.1	0	0	0	0	0	112.9	L18 L19 A20	L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.21Å; L18-A22 PolarHBondContact O-N 3.07Å; L19-A22 PolarHBondContact O-N 3.42Å; A20-A22 VanDerWaalsContact C-N 3.3Å; A20-A22 PolarHBondContact O-N 3.25Å
23	S	48.8	Very low	46	Very low	56 Å²	56	73.9 Å²	73.9	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-82.1	-14.5	-176.8	69.3	0	0	0	0	114.2	L19 A20 E25	L19-S23 PolarHBondContact O-N 2.8Å; L19-S23 PolarHBondContact O-OG 3.44Å; A20-S23 PolarHBondContact O-N 3.07Å; A20-S23 PolarHBondContact O-OG 3.34Å; S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 VanDerWaalsContact O-N 3.17Å
24	N	43.2	Very low	46	Very low	142 Å²	142	70.1 Å²	70.1	76%	0.759	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	27.6	-179	-163.6	63.9	0	0	0	112.4	A20	A20-N24 PolarHBondContact O-N 2.82Å
25	E	41.5	Very low	46.5	Very low	119 Å²	119	75.5 Å²	75.5	56%	0.556	44%	0.436	S	S	*	.			trans	-88	148.1	176	-68.5	-175.4	166.7	0	0	110.8	S23 G29	S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 VanDerWaalsContact O-N 3.17Å; E25-G29 WeakPolarHBondContact OE2-CA 3.43Å
26	G	44.7	Very low	46.7	Very low	57 Å²	57	74.9 Å²	74.9	59%	0.588	44%	0.436	S	S	*	.			trans	-69.3	-171.9	174.8	0	0	0	0	0	112.9	Q28 G29	G26-Q28 PolarHBondContact O-N 3.1Å; G26-G29 WeakPolarHBondContact O-CA 3.35Å; G26-G29 PolarHBondContact O-N 2.97Å
27	A	45.3	Very low	46.6	Very low	88 Å²	88	75.8 Å²	75.8	73%	0.727	44%	0.444	S	S	*	.	H	α-helix	trans	-51.1	-31.3	-175.3	0	0	0	0	0	115.1	G29 V30 E31	A27-G29 VanDerWaalsContact C-N 3.33Å; A27-G29 PolarHBondContact O-N 3.01Å; A27-V30 PolarHBondContact O-N 2.91Å; A27-E31 PolarHBondContact O-N 3.1Å
28	Q	47.8	Very low	46.8	Very low	170 Å²	170	78.5 Å²	78.5	79%	0.794	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-32.4	174.6	-76.7	-179.5	-30	0	0	113.4	G26 E31 S32	G26-Q28 PolarHBondContact O-N 3.1Å; Q28-E31 PolarHBondContact O-N 3.33Å; Q28-S32 WeakPolarHBondContact O-CB 3.41Å; Q28-S32 PolarHBondContact O-N 3.2Å
29	G	47.8	Very low	47	Very low	6 Å²	6	81.2 Å²	81.2	6%	0.062	47%	0.468	C	S	.	.	H	α-helix	trans	-68.9	-35.4	175.6	0	0	0	0	0	112.4	E25 G26 A27 S32 A33	E25-G29 WeakPolarHBondContact OE2-CA 3.43Å; G26-G29 WeakPolarHBondContact O-CA 3.35Å; G26-G29 PolarHBondContact O-N 2.97Å; A27-G29 VanDerWaalsContact C-N 3.33Å; A27-G29 PolarHBondContact O-N 3.01Å; G29-S32 PolarHBondContact O-N 3.34Å; G29-A33 VanDerWaalsContact O-CB 3.24Å; G29-A33 WeakPolarHBondContact O-CB 3.35Å; G29-A33 PolarHBondContact O-N 3.39Å
30	V	46.2	Very low	47	Very low	63 Å²	63	79.4 Å²	79.4	38%	0.382	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-46.2	173.1	-177.4	0	0	0	0	110.1	A20 A27 A33 T34	A20-V30 HydrophobicContact CB-CG2 3.74Å; A27-V30 PolarHBondContact O-N 2.91Å; V30-A33 PolarHBondContact O-N 2.81Å; V30-T34 WeakPolarHBondContact O-CB 3.47Å; V30-T34 PolarHBondContact O-N 2.97Å; V30-T34 PolarHBondContact O-OG1 3.33Å
31	E	51.2	Low	46.8	Very low	109 Å²	109	82.7 Å²	82.7	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-42.6	179.3	-161.6	-173	157.6	0	0	111.7	A27 Q28 T34 R35	A27-E31 PolarHBondContact O-N 3.1Å; Q28-E31 PolarHBondContact O-N 3.33Å; E31-T34 PolarHBondContact O-N 3.29Å; E31-R35 PolarHBondContact O-N 3.04Å; E31-R35 IonicContact OE1-CZ 3.77Å; E31-R35 IonicContact OE1-NE 3.47Å; E31-R35 IonicContact OE1-NH2 3.28Å; E31-R35 PolarHBondContact OE1-NH2 3.22Å
32	S	50.5	Low	46.6	Very low	68 Å²	68	89.3 Å²	89.3	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-45.4	176.8	-173.2	0	0	0	0	112.5	Q28 G29 T34 R35 T36	Q28-S32 WeakPolarHBondContact O-CB 3.41Å; Q28-S32 PolarHBondContact O-N 3.2Å; G29-S32 PolarHBondContact O-N 3.34Å; S32-T34 VanDerWaalsContact C-N 3.32Å; S32-T34 PolarHBondContact O-N 3.18Å; S32-R35 PolarHBondContact O-N 3.16Å; S32-T36 WeakPolarHBondContact O-CB 3.35Å; S32-T36 PolarHBondContact O-N 3.47Å; S32-T36 PolarHBondContact O-OG1 3.36Å
33	A	46.7	Very low	46.7	Very low	26 Å²	26	90.6 Å²	90.6	22%	0.215	50%	0.504	C	S	.	.	H	α-helix	trans	-63.8	-39.3	176.9	0	0	0	0	0	111.4	G29 V30 T36 A37	G29-A33 VanDerWaalsContact O-CB 3.24Å; G29-A33 WeakPolarHBondContact O-CB 3.35Å; G29-A33 PolarHBondContact O-N 3.39Å; V30-A33 PolarHBondContact O-N 2.81Å; A33-T36 PolarHBondContact O-N 2.97Å; A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.09Å
34	T	47.3	Very low	46.2	Very low	54 Å²	54	91.1 Å²	91.1	33%	0.331	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-44.8	176.3	-50	0	0	0	0	111	V30 E31 S32 A37 I38	V30-T34 WeakPolarHBondContact O-CB 3.47Å; V30-T34 PolarHBondContact O-N 2.97Å; V30-T34 PolarHBondContact O-OG1 3.33Å; E31-T34 PolarHBondContact O-N 3.29Å; S32-T34 VanDerWaalsContact C-N 3.32Å; S32-T34 PolarHBondContact O-N 3.18Å; T34-A37 PolarHBondContact O-N 3.04Å; T34-I38 HydrophobicContact CG2-CD1 4.03Å; T34-I38 VanDerWaalsContact O-CG1 3.25Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.68Å
35	R	55.6	Low	45.8	Very low	157 Å²	157	90.1 Å²	90.1	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-60.5	-47.5	173.9	-82.1	-170.4	-158.5	-175.9	8.5	111.9	E31 S32 A37 I38 E39	E31-R35 PolarHBondContact O-N 3.04Å; E31-R35 IonicContact OE1-CZ 3.77Å; E31-R35 IonicContact OE1-NE 3.47Å; E31-R35 IonicContact OE1-NH2 3.28Å; E31-R35 PolarHBondContact OE1-NH2 3.22Å; S32-R35 PolarHBondContact O-N 3.16Å; R35-A37 VanDerWaalsContact C-N 3.3Å; R35-A37 PolarHBondContact O-N 3.07Å; R35-I38 PolarHBondContact O-N 3.08Å; R35-I38 VanDerWaalsContact O-N 3.15Å; R35-E39 WeakPolarHBondContact O-CB 3.2Å; R35-E39 PolarHBondContact O-N 3.43Å
36	T	51.1	Low	45.4	Very low	87 Å²	87	87 Å²	87	53%	0.534	51%	0.511	S	S	.	.	H	α-helix	trans	-60.7	-41.2	-179.6	-50.5	0	0	0	0	111.1	S32 A33 E39 A40	S32-T36 WeakPolarHBondContact O-CB 3.35Å; S32-T36 PolarHBondContact O-N 3.47Å; S32-T36 PolarHBondContact O-OG1 3.36Å; A33-T36 PolarHBondContact O-N 2.97Å; T36-E39 PolarHBondContact O-N 3.4Å; T36-A40 VanDerWaalsContact O-CB 3.31Å; T36-A40 WeakPolarHBondContact O-CB 3.31Å; T36-A40 PolarHBondContact O-N 3.37Å
37	A	46.6	Very low	44.7	Very low	28 Å²	28	90.4 Å²	90.4	23%	0.231	52%	0.521	C	S	.	.	H	α-helix	trans	-64.8	-43.1	175.2	0	0	0	0	0	112.2	A33 T34 R35 E39 I41	A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.09Å; T34-A37 PolarHBondContact O-N 3.04Å; R35-A37 VanDerWaalsContact C-N 3.3Å; R35-A37 PolarHBondContact O-N 3.07Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 3.18Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 2.76Å; A37-I41 VanDerWaalsContact O-N 3.09Å
38	I	49.7	Very low	43.8	Very low	104 Å²	104	95.9 Å²	95.9	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-40.6	175	-69.5	167.2	0	0	0	110.8	T34 R35 I41 R42	T34-I38 HydrophobicContact CG2-CD1 4.03Å; T34-I38 VanDerWaalsContact O-CG1 3.25Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.68Å; R35-I38 PolarHBondContact O-N 3.08Å; R35-I38 VanDerWaalsContact O-N 3.15Å; I38-I41 PolarHBondContact O-N 2.97Å; I38-R42 WeakPolarHBondContact O-CB 3.28Å; I38-R42 PolarHBondContact O-N 3.42Å
39	E	47.5	Very low	43	Very low	125 Å²	125	92.9 Å²	92.9	58%	0.584	52%	0.524	S	S	*	.	H	α-helix	trans	-74.6	-35.9	-177.1	-148.1	151.9	-147.7	0	0	112.2	R35 T36 A37 I41 R42 T43	R35-E39 WeakPolarHBondContact O-CB 3.2Å; R35-E39 PolarHBondContact O-N 3.43Å; T36-E39 PolarHBondContact O-N 3.4Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 3.18Å; E39-I41 VanDerWaalsContact C-N 3.33Å; E39-R42 PolarHBondContact O-N 3.09Å; E39-T43 WeakPolarHBondContact O-CG2 3.14Å; E39-T43 PolarHBondContact O-N 3.1Å; E39-T43 PolarHBondContact O-OG1 2.98Å
40	A	45.6	Very low	42	Very low	59 Å²	59	102 Å²	102	49%	0.488	56%	0.564	S	S	.	*	H	α-helix	trans	-62.6	-38.3	169.6	0	0	0	0	0	112	T36 T43 G44	T36-A40 VanDerWaalsContact O-CB 3.31Å; T36-A40 WeakPolarHBondContact O-CB 3.31Å; T36-A40 PolarHBondContact O-N 3.37Å; A40-T43 WeakPolarHBondContact CA-OG1 3.29Å; A40-T43 PolarHBondContact O-OG1 3.05Å; A40-T43 VanDerWaalsContact O-OG1 3.13Å; A40-G44 PolarHBondContact O-N 3.08Å
41	I	40.6	Very low	41.1	Very low	80 Å²	80	104.9 Å²	104.9	41%	0.41	58%	0.582	S	S	.	*	H	α-helix	trans	-69.1	-42	174	-67.8	166	0	0	0	110.4	T12 A37 I38 E39 T43 G44 I45	T12-I41 HydrophobicContact CG2-CD1 3.51Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 2.76Å; A37-I41 VanDerWaalsContact O-N 3.09Å; I38-I41 PolarHBondContact O-N 2.97Å; E39-I41 VanDerWaalsContact C-N 3.33Å; I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 3.34Å; I41-G44 PolarHBondContact O-N 3.24Å; I41-I45 HydrophobicContact CG2-CD1 4.1Å; I41-I45 WeakPolarHBondContact O-CG1 3.24Å; I41-I45 PolarHBondContact O-N 3.42Å
42	R	39.5	Very low	39.9	Very low	195 Å²	195	108.5 Å²	108.5	74%	0.736	60%	0.599	S	S	*	*	H	α-helix	trans	-62.6	-34.9	178.8	-139	-179.4	-161.6	174.1	4.5	112.8	I38 E39	I38-R42 WeakPolarHBondContact O-CB 3.28Å; I38-R42 PolarHBondContact O-N 3.42Å; E39-R42 PolarHBondContact O-N 3.09Å
43	T	42.7	Very low	38.7	Very low	110 Å²	110	113.6 Å²	113.6	68%	0.675	62%	0.619	S	S	*	*	H	α-helix	trans	-82.9	-27.9	176.8	47.3	0	0	0	0	112.9	E39 A40 I41 I45	E39-T43 WeakPolarHBondContact O-CG2 3.14Å; E39-T43 PolarHBondContact O-N 3.1Å; E39-T43 PolarHBondContact O-OG1 2.98Å; A40-T43 WeakPolarHBondContact CA-OG1 3.29Å; A40-T43 PolarHBondContact O-OG1 3.05Å; A40-T43 VanDerWaalsContact O-OG1 3.13Å; I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 3.34Å; T43-I45 VanDerWaalsContact C-N 3.3Å
44	G	38.3	Very low	37.8	Very low	67 Å²	67	116.6 Å²	116.6	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-70.1	-24.1	170.3	0	0	0	0	0	113.7	A40 I41 G46	A40-G44 PolarHBondContact O-N 3.08Å; I41-G44 PolarHBondContact O-N 3.24Å; G44-G46 PolarHBondContact O-N 3.43Å
45	I	35.6	Very low	36.9	Very low	120 Å²	120	121 Å²	121	62%	0.615	67%	0.666	S	S	*	*	S	Bend	trans	-80.5	67.3	166.1	-56.3	164	0	0	0	107.4	I41 T43 T47	I41-I45 HydrophobicContact CG2-CD1 4.1Å; I41-I45 WeakPolarHBondContact O-CG1 3.24Å; I41-I45 PolarHBondContact O-N 3.42Å; T43-I45 VanDerWaalsContact C-N 3.3Å; I45-T47 PolarHBondContact O-N 3.5Å; I45-T47 VanDerWaalsContact O-N 3.15Å
46	G	32.3	Very low	35.5	Very low	55 Å²	55	118 Å²	118	57%	0.567	67%	0.674	S	S	*	*			trans	-56.7	117.3	170.6	0	0	0	0	0	108.9	G44 K48	G44-G46 PolarHBondContact O-N 3.43Å; G46-K48 PolarHBondContact O-N 2.91Å; G46-K48 VanDerWaalsContact O-N 3.15Å
47	T	30.6	Very low	34.4	Very low	128 Å²	128	119.7 Å²	119.7	79%	0.785	69%	0.685	S	S	*	*			trans	-40.6	115.5	167.2	47.3	0	0	0	0	110	I45 P49	I45-T47 PolarHBondContact O-N 3.5Å; I45-T47 VanDerWaalsContact O-N 3.15Å; T47-P49 WeakPolarHBondContact O-CD 3.44Å; T47-P49 VanDerWaalsContact O-N 3.11Å
48	K	26.6	Very low	33.6	Very low	203 Å²	203	127.6 Å²	127.6	88%	0.883	72%	0.717	S	S	*	*			trans	-48.8	115.6	169.4	-82.6	-177.9	173.1	-177.6	0	109	G46	G46-K48 PolarHBondContact O-N 2.91Å; G46-K48 VanDerWaalsContact O-N 3.15Å
49	P	30.8	Very low	32.8	Very low	107 Å²	107	126.5 Å²	126.5	70%	0.695	72%	0.723	S	S	*	*			trans	-81.3	122.5	157.9	0.7	20.6	0	0	0	106.6	T47 T51	T47-P49 WeakPolarHBondContact O-CD 3.44Å; T47-P49 VanDerWaalsContact O-N 3.11Å; P49-T51 PolarHBondContact O-N 2.93Å
50	E	26.6	Very low	32	Very low	196 Å²	196	127.8 Å²	127.8	92%	0.916	73%	0.729	S	S	*	*			trans	-58.1	102.3	162.8	-67.2	171.8	157.6	0	0	108.3
51	T	28.3	Very low	31.6	Very low	124 Å²	124	128.9 Å²	128.9	76%	0.761	74%	0.738	S	S	*	*			trans	-146.5	121.2	162.9	31.7	0	0	0	0	110.1	P49	P49-T51 PolarHBondContact O-N 2.93Å
52	E	26.4	Very low	31.3	Very low	185 Å²	185	129.1 Å²	129.1	86%	0.864	75%	0.745	S	S	*	*			trans	-13.4	132.5	171.7	-69.6	166.1	151.6	0	0	118.8	A54	E52-A54 PolarHBondContact O-N 3.22Å
53	I	24.4	Very low	31.2	Very low	176 Å²	176	124 Å²	124	90%	0.903	74%	0.735	S	S	*	*			trans	-58.2	109.2	164.4	-60.2	160.5	0	0	0	107.9
54	A	28.7	Very low	30.8	Very low	88 Å²	88	128.3 Å²	128.3	73%	0.727	74%	0.739	S	S	*	*			trans	-125.6	122.5	166.3	0	0	0	0	0	108.7	E52 A56	E52-A54 PolarHBondContact O-N 3.22Å; A54-A56 PolarHBondContact O-N 3.19Å
55	D	27.1	Very low	30.8	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	74%	0.738	S	S	*	*			trans	-44.1	116	-179.8	-73.8	-47.7	0	0	0	113.2
56	A	26.1	Very low	30.8	Very low	94 Å²	94	130.5 Å²	130.5	78%	0.777	74%	0.735	S	S	*	*			trans	-110.5	65.4	168.7	0	0	0	0	0	109.7	A54 E58	A54-A56 PolarHBondContact O-N 3.19Å; A56-E58 PolarHBondContact O-N 2.99Å
57	T	28.8	Very low	31	Very low	122 Å²	122	131.5 Å²	131.5	75%	0.748	73%	0.726	S	S	*	*			trans	-91.4	47.8	177.8	42	0	0	0	0	112.9
58	E	30.8	Very low	31.1	Very low	195 Å²	195	130.1 Å²	130.1	91%	0.911	72%	0.722	S	S	*	*	S	Bend	trans	-153	8.9	176.5	-121.5	168.5	-161.6	0	0	118.2	A56	A56-E58 PolarHBondContact O-N 2.99Å
59	A	32.3	Very low	31.6	Very low	81 Å²	81	127.8 Å²	127.8	67%	0.669	72%	0.718	S	S	*	*	S	Bend	trans	-110.1	-6.3	-176.4	0	0	0	0	0	116.6
60	E	30.7	Very low	31.8	Very low	151 Å²	151	128 Å²	128	71%	0.706	71%	0.713	S	S	*	*			trans	-95.1	-4.8	-168.5	-67.8	-164.9	155.4	0	0	116.2	V63	E60-V63 PolarHBondContact O-N 3.12Å
61	A	36.6	Very low	31.9	Very low	82 Å²	82	121.2 Å²	121.2	68%	0.678	70%	0.696	S	S	*	*	H	α-helix	trans	-60.3	-40.5	-177.1	0	0	0	0	0	114.8	V63	A61-V63 VanDerWaalsContact C-N 3.35Å; A61-V63 PolarHBondContact O-N 3.29Å
62	P	34.3	Very low	32.3	Very low	85 Å²	85	121.8 Å²	121.8	55%	0.552	69%	0.693	S	S	*	*	H	α-helix	trans	-77.8	-20.1	-176.7	-7.4	23.1	0	0	0	113.4	V66	P62-V66 WeakPolarHBondContact O-CG2 3.38Å; P62-V66 PolarHBondContact O-N 3.32Å
63	V	38.3	Very low	32.6	Very low	87 Å²	87	118.7 Å²	118.7	53%	0.527	68%	0.681	S	S	.	*	H	α-helix	trans	-76.8	-37	-177.8	178.9	0	0	0	0	110.6	E60 A61 E65 V66 I67	E60-V63 PolarHBondContact O-N 3.12Å; A61-V63 VanDerWaalsContact C-N 3.35Å; A61-V63 PolarHBondContact O-N 3.29Å; V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 3.47Å; V63-V66 PolarHBondContact O-N 3.25Å; V63-I67 HydrophobicContact CG1-CD1 3.62Å; V63-I67 HydrophobicContact CG1-CG1 4.36Å; V63-I67 WeakPolarHBondContact O-CB 3.44Å; V63-I67 WeakPolarHBondContact O-CG1 3.47Å; V63-I67 PolarHBondContact O-N 2.88Å; V63-I67 VanDerWaalsContact O-N 3.08Å
64	R	34.5	Very low	33.1	Very low	202 Å²	202	117.7 Å²	117.7	76%	0.762	68%	0.677	S	S	*	*	H	α-helix	trans	-64.9	-36.5	175.5	-85.3	-174.7	172.6	-134.9	-0.7	113.1	I67 S68	R64-I67 PolarHBondContact O-N 3.26Å; R64-S68 WeakPolarHBondContact O-CB 3.08Å; R64-S68 PolarHBondContact O-N 3.47Å
65	E	37.2	Very low	33.3	Very low	142 Å²	142	116.1 Å²	116.1	66%	0.664	67%	0.67	S	S	*	*	H	α-helix	trans	-70.5	-38	-178.8	-147.2	174.5	-161.6	0	0	111.8	V63 L69	V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 3.47Å; E65-L69 PolarHBondContact O-N 3.18Å; E65-L69 VanDerWaalsContact O-N 3.17Å
66	V	36.4	Very low	33.9	Very low	90 Å²	90	113.5 Å²	113.5	55%	0.545	67%	0.668	S	S	.	*	H	α-helix	trans	-71.3	-35.6	176	176.8	0	0	0	0	111.9	P62 V63 L69 L70	P62-V66 WeakPolarHBondContact O-CG2 3.38Å; P62-V66 PolarHBondContact O-N 3.32Å; V63-V66 PolarHBondContact O-N 3.25Å; V66-L69 PolarHBondContact O-N 3.36Å; V66-L70 HydrophobicContact CG1-CD1 3.97Å; V66-L70 PolarHBondContact O-N 3.46Å
67	I	35.1	Very low	34.6	Very low	77 Å²	77	116.9 Å²	116.9	40%	0.395	67%	0.668	S	S	.	*	H	α-helix	trans	-70.3	-37	177.2	-68.9	171.7	0	0	0	111.2	V63 R64 L70 I73	V63-I67 HydrophobicContact CG1-CD1 3.62Å; V63-I67 HydrophobicContact CG1-CG1 4.36Å; V63-I67 WeakPolarHBondContact O-CB 3.44Å; V63-I67 WeakPolarHBondContact O-CG1 3.47Å; V63-I67 PolarHBondContact O-N 2.88Å; V63-I67 VanDerWaalsContact O-N 3.08Å; R64-I67 PolarHBondContact O-N 3.26Å; I67-L70 PolarHBondContact O-N 2.94Å; I67-I73 HydrophobicContact CG2-CD1 3.71Å; I67-I73 HydrophobicContact CG2-CG1 4.14Å
68	S	34.4	Very low	35.7	Very low	99 Å²	99	115.1 Å²	115.1	69%	0.692	66%	0.661	S	S	*	*	H	α-helix	trans	-65	-38.4	173.4	176.3	0	0	0	0	112.3	R64 L70	R64-S68 WeakPolarHBondContact O-CB 3.08Å; R64-S68 PolarHBondContact O-N 3.47Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 3.03Å
69	L	36.8	Very low	37.1	Very low	154 Å²	154	108.8 Å²	108.8	81%	0.806	63%	0.633	S	S	*	*	H	α-helix	trans	-70.9	-26.1	179.2	-116.6	112.1	0	0	0	113.9	E65 V66	E65-L69 PolarHBondContact O-N 3.18Å; E65-L69 VanDerWaalsContact O-N 3.17Å; V66-L69 PolarHBondContact O-N 3.36Å
70	L	33.9	Very low	38.8	Very low	111 Å²	111	108 Å²	108	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-84.5	-12.4	-177.4	-79.8	165.4	0	0	0	113.7	V66 I67 S68 I72	V66-L70 HydrophobicContact CG1-CD1 3.97Å; V66-L70 PolarHBondContact O-N 3.46Å; I67-L70 PolarHBondContact O-N 2.94Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 3.03Å; L70-I72 HydrophobicContact CB-CD1 4.03Å; L70-I72 HydrophobicContact CB-CG1 4.13Å; L70-I72 WeakPolarHBondContact O-CG1 3.44Å; L70-I72 PolarHBondContact O-N 2.94Å
71	G	29.2	Very low	40.9	Very low	54 Å²	54	104.1 Å²	104.1	56%	0.557	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.5	20.3	178.5	0	0	0	0	0	114.2	I73	G71-I73 VanDerWaalsContact C-N 3.28Å
72	I	37.5	Very low	43	Very low	136 Å²	136	106 Å²	106	70%	0.697	60%	0.604	S	S	*	*			trans	-85.3	-2.8	-176.2	-67.5	173.2	0	0	0	112.1	L70	L70-I72 HydrophobicContact CB-CD1 4.03Å; L70-I72 HydrophobicContact CB-CG1 4.13Å; L70-I72 WeakPolarHBondContact O-CG1 3.44Å; L70-I72 PolarHBondContact O-N 2.94Å
73	I	32.4	Very low	45.1	Very low	120 Å²	120	102.8 Å²	102.8	62%	0.615	58%	0.583	S	S	*	*			trans	-113.7	78.5	163	-49.1	177.9	0	0	0	105.7	I67 G71 G75	I67-I73 HydrophobicContact CG2-CD1 3.71Å; I67-I73 HydrophobicContact CG2-CG1 4.14Å; G71-I73 VanDerWaalsContact C-N 3.28Å; I73-G75 VanDerWaalsContact C-N 3.33Å; I73-G75 PolarHBondContact O-N 3.42Å; I73-G75 VanDerWaalsContact O-N 3.1Å
74	D	35.1	Very low	47.1	Very low	154 Å²	154	102.8 Å²	102.8	82%	0.824	58%	0.58	S	S	*	*			trans	-49.4	117.1	139.7	-86.1	-30.2	0	0	0	103.8	A76	D74-A76 PolarHBondContact O-N 3.24Å; D74-A76 VanDerWaalsContact O-N 3.15Å
75	G	32.5	Very low	49.1	Very low	55 Å²	55	98.4 Å²	98.4	57%	0.567	59%	0.587	S	S	*	*			trans	-39.8	129.1	-174.1	0	0	0	0	0	108.8	I73 E77	I73-G75 VanDerWaalsContact C-N 3.33Å; I73-G75 PolarHBondContact O-N 3.42Å; I73-G75 VanDerWaalsContact O-N 3.1Å; G75-E77 PolarHBondContact O-N 2.89Å
76	A	39.7	Very low	50.8	Low	92 Å²	92	97.1 Å²	97.1	76%	0.76	59%	0.585	S	S	*	*			trans	-51.9	96.9	131	0	0	0	0	0	102.3	D74 S78	D74-A76 PolarHBondContact O-N 3.24Å; D74-A76 VanDerWaalsContact O-N 3.15Å; A76-S78 PolarHBondContact O-N 3.43Å
77	E	41.1	Very low	52.5	Low	165 Å²	165	97 Å²	97	77%	0.771	58%	0.581	S	S	*	*			trans	-42.9	112.9	156.8	-84.7	178.9	148.6	0	0	101.6	G75 D79	G75-E77 PolarHBondContact O-N 2.89Å; E77-D79 PolarHBondContact O-N 3.11Å
78	S	50.4	Low	54.4	Low	85 Å²	85	99.2 Å²	99.2	59%	0.594	59%	0.587	S	S	*	*			trans	-53.9	106.6	170.4	48.4	0	0	0	0	102.2	A76 I80	A76-S78 PolarHBondContact O-N 3.43Å; S78-I80 PolarHBondContact O-N 3.45Å
79	D	60.1	Low	56.4	Low	63 Å²	63	95.9 Å²	95.9	34%	0.337	56%	0.564	S	S	.	*			trans	-60.9	0.4	-178.5	-70.9	-35.3	0	0	0	110.1	E77 L81 Y93 P104 R106	E77-D79 PolarHBondContact O-N 3.11Å; D79-L81 PolarHBondContact O-N 3.03Å; D79-Y93 WeakPolarHBondContact O-CE1 3.37Å; D79-P104 HydrophobicContact CB-CG 3.27Å; D79-R106 IonicContact OD2-NH2 2.93Å; D79-R106 PolarHBondContact OD2-NH2 3.45Å
80	I	68.4	Low	58.2	Low	65 Å²	65	91.5 Å²	91.5	33%	0.333	55%	0.545	S	S	.	.			trans	-58	96.9	164	-49.8	-178.9	0	0	0	110.5	S78 Q101 C102 V103	S78-I80 PolarHBondContact O-N 3.45Å; I80-Q101 HydrophobicContact CG2-CB 3.67Å; I80-Q101 HydrophobicContact CG2-CG 3.6Å; I80-C102 CarbonylContact C-O 3.22Å; I80-C102 VanDerWaalsContact CA-O 3.26Å; I80-C102 WeakPolarHBondContact CA-O 3.41Å; I80-V103 HydrophobicContact CG1-CG1 4.33Å
81	L	75.3	Confident	59.8	Low	69 Å²	69	87.8 Å²	87.8	36%	0.361	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-82.5	160.3	169.1	-65.2	173.3	0	0	0	110.6	D79 P90 Y93 C102	D79-L81 PolarHBondContact O-N 3.03Å; L81-P90 HydrophobicContact CD1-CG 3.69Å; L81-Y93 HydrophobicContact CD1-CD1 3.92Å; L81-Y93 HydrophobicContact CD1-CD2 3.95Å; L81-Y93 HydrophobicContact CD1-CE1 3.57Å; L81-Y93 HydrophobicContact CD1-CE2 3.58Å; L81-Y93 HydrophobicContact CD1-CG 4.11Å; L81-Y93 HydrophobicContact CG-CD1 4.32Å; L81-Y93 HydrophobicContact CG-CE1 3.92Å; L81-C102 HydrophobicContact CB-CB 3.77Å; L81-C102 PolarHBondContact N-O 2.97Å; L81-C102 VanDerWaalsContact O-CB 3.32Å; L81-C102 WeakPolarHBondContact O-CB 3.44Å; L81-C102 PolarHBondContact O-N 3.47Å
82	V	79.7	Confident	61.6	Low	122 Å²	122	86.3 Å²	86.3	74%	0.739	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-92.1	135.6	167.2	-174.1	0	0	0	0	107.8
83	P	78.9	Confident	63.5	Low	16 Å²	16	82.8 Å²	82.8	10%	0.104	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-54.1	156.6	173.7	-22.3	29.6	0	0	0	112.4	D87 H95 A100	P83-D87 WeakPolarHBondContact CB-OD1 3.45Å; P83-D87 WeakPolarHBondContact CG-OD1 3.18Å; P83-H95 VanDerWaalsContact CG-CD2 3.47Å; P83-H95 WeakPolarHBondContact CG-CD2 3.36Å; P83-A100 VanDerWaalsContact CD-C 3.44Å; P83-A100 WeakPolarHBondContact CD-O 3.41Å; P83-A100 HydrophobicContact CG-CB 4.16Å
84	D	80.3	Confident	65.7	Low	87 Å²	87	78.4 Å²	78.4	47%	0.465	47%	0.473	S	S	.	.			trans	-68.1	-178.8	172.9	72.5	13.8	0	0	0	112.3	D86 D87 K88	D84-D86 PolarHBondContact O-N 3.27Å; D84-D86 VanDerWaalsContact O-N 3.1Å; D84-D86 WeakPolarHBondContact OD1-CA 3.42Å; D84-D86 WeakPolarHBondContact OD1-CB 3.29Å; D84-D86 PolarHBondContact OD1-N 3.46Å; D84-D87 PolarHBondContact O-N 3.39Å; D84-D87 PolarHBondContact OD1-N 3.29Å; D84-K88 PolarHBondContact N-O 3.2Å; D84-K88 WeakPolarHBondContact OD1-CB 3.44Å; D84-K88 PolarHBondContact OD1-N 3.41Å
85	A	76.7	Confident	67.9	Low	110 Å²	110	73.3 Å²	73.3	91%	0.909	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.8	-178.8	0	0	0	0	0	114.1	D87	A85-D87 VanDerWaalsContact C-N 3.35Å
86	D	73.2	Confident	70.4	Confident	116 Å²	116	70.7 Å²	70.7	62%	0.62	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.9	175.3	-71.5	-17.1	0	0	0	111.9	D84 K88	D84-D86 PolarHBondContact O-N 3.27Å; D84-D86 VanDerWaalsContact O-N 3.1Å; D84-D86 WeakPolarHBondContact OD1-CA 3.42Å; D84-D86 WeakPolarHBondContact OD1-CB 3.29Å; D84-D86 PolarHBondContact OD1-N 3.46Å; D86-K88 HydrophobicContact CB-CD 4.15Å; D86-K88 HydrophobicContact CB-CG 4.31Å; D86-K88 PolarHBondContact O-N 2.92Å; D86-K88 IonicContact OD2-NZ 3.93Å
87	D	72.5	Confident	72.2	Confident	88 Å²	88	71.9 Å²	71.9	47%	0.471	41%	0.411	S	S	.	.	S	Bend	trans	59.8	31.4	-175.7	-157.4	25.7	0	0	0	113.1	P83 D84 A85 H95	P83-D87 WeakPolarHBondContact CB-OD1 3.45Å; P83-D87 WeakPolarHBondContact CG-OD1 3.18Å; D84-D87 PolarHBondContact O-N 3.39Å; D84-D87 PolarHBondContact OD1-N 3.29Å; A85-D87 VanDerWaalsContact C-N 3.35Å; D87-H95 VanDerWaalsContact CG-NE2 3.25Å; D87-H95 PolarHBondContact O-CD2 3.39Å; D87-H95 VanDerWaalsContact O-CD2 3.28Å; D87-H95 PolarHBondContact O-NE2 2.75Å; D87-H95 IonicContact OD1-CD2 2.76Å; D87-H95 IonicContact OD1-CE1 2.96Å; D87-H95 IonicContact OD1-NE2 3.48Å; D87-H95 PolarHBondContact OD1-NE2 3.17Å; D87-H95 IonicContact OD2-CE1 3.97Å; D87-H95 IonicContact OD2-NE2 2.68Å; D87-H95 PolarHBondContact OD2-NE2 3.22Å
88	K	73.2	Confident	73.7	Confident	122 Å²	122	69.2 Å²	69.2	53%	0.53	41%	0.406	S	S	.	.			trans	-106.3	136.1	179.3	-66.1	172	-171.2	156.2	0	111.2	D84 D86	D84-K88 PolarHBondContact N-O 3.2Å; D84-K88 WeakPolarHBondContact OD1-CB 3.44Å; D84-K88 PolarHBondContact OD1-N 3.41Å; D86-K88 HydrophobicContact CB-CD 4.15Å; D86-K88 HydrophobicContact CB-CG 4.31Å; D86-K88 PolarHBondContact O-N 2.92Å; D86-K88 IonicContact OD2-NZ 3.93Å
89	C	78	Confident	74.5	Confident	29 Å²	29	67.2 Å²	67.2	20%	0.196	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-78.5	146	169.5	-64.2	0	0	0	0	111.1	H95 C102	C89-H95 HydrophobicContact CB-CB 4.46Å; C89-H95 WeakPolarHBondContact SG-CA 3.5Å; C89-H95 WeakPolarHBondContact SG-CB 3.34Å; C89-C102 WeakPolarHBondContact CA-SG 3.18Å; C89-C102 HydrophobicContact CB-CB 3.83Å; C89-C102 WeakPolarHBondContact CB-SG 3.31Å; C89-C102 WeakPolarHBondContact SG-CA 3.37Å; C89-C102 WeakPolarHBondContact SG-CB 3.45Å; C89-C102 CovalentContact SG-SG 2.02Å; C89-C102 PolarHBondContact SG-SG 3.45Å
90	P	74.8	Confident	75.2	Confident	63 Å²	63	66.4 Å²	66.4	41%	0.409	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-63	157.1	170.6	26.5	-31.7	0	0	0	110.8	L81 G92 Y93	L81-P90 HydrophobicContact CD1-CG 3.69Å; P90-G92 PolarHBondContact O-N 3.33Å; P90-Y93 HydrophobicContact CG-CD2 3.81Å; P90-Y93 HydrophobicContact CG-CE2 4.32Å; P90-Y93 HydrophobicContact CG-CG 4.36Å; P90-Y93 PolarHBondContact O-N 3.06Å
91	G	67.6	Low	76	Confident	33 Å²	33	64.9 Å²	64.9	34%	0.34	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.7	-179.9	0	0	0	0	0	113.3	N446	G91-N446 WeakPolarHBondContact CA-OD1 3.26Å
92	G	66.7	Low	76.4	Confident	23 Å²	23	61.6 Å²	61.6	24%	0.237	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-0.4	-172	0	0	0	0	0	115	P90 Q105 M445	P90-G92 PolarHBondContact O-N 3.33Å; G92-Q105 WeakPolarHBondContact O-CB 3.46Å; G92-Q105 PolarHBondContact O-N 2.9Å; G92-M445 WeakPolarHBondContact CA-O 3.03Å; G92-M445 PolarHBondContact N-O 2.74Å
93	Y	77.4	Confident	76.5	Confident	61 Å²	61	55.8 Å²	55.8	24%	0.239	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.9	179	-67.2	-97.8	0	0	0	111.6	D79 L81 P90 C102 V103 P104	D79-Y93 WeakPolarHBondContact O-CE1 3.37Å; L81-Y93 HydrophobicContact CD1-CD1 3.92Å; L81-Y93 HydrophobicContact CD1-CD2 3.95Å; L81-Y93 HydrophobicContact CD1-CE1 3.57Å; L81-Y93 HydrophobicContact CD1-CE2 3.58Å; L81-Y93 HydrophobicContact CD1-CG 4.11Å; L81-Y93 HydrophobicContact CG-CD1 4.32Å; L81-Y93 HydrophobicContact CG-CE1 3.92Å; P90-Y93 HydrophobicContact CG-CD2 3.81Å; P90-Y93 HydrophobicContact CG-CE2 4.32Å; P90-Y93 HydrophobicContact CG-CG 4.36Å; P90-Y93 PolarHBondContact O-N 3.06Å; Y93-C102 HydrophobicContact CD1-CB 4.4Å; Y93-V103 CarbonylContact C-O 3.44Å; Y93-V103 VanDerWaalsContact CA-O 3.28Å; Y93-V103 WeakPolarHBondContact CA-O 3.38Å; Y93-P104 HydrophobicContact CD1-CG 4.45Å; Y93-P104 HydrophobicContact CE1-CG 4.13Å
94	F	78	Confident	76.3	Confident	29 Å²	29	55.6 Å²	55.6	13%	0.127	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.6	171.9	175.4	-107.5	0	0	0	110.3	C102 V103 N108 D120 R448	F94-C102 CarbonylContact O-C 3.44Å; F94-C102 VanDerWaalsContact O-CA 3.26Å; F94-C102 WeakPolarHBondContact O-CA 3.38Å; F94-V103 HydrophobicContact CB-CG2 3.95Å; F94-V103 HydrophobicContact CD1-CG2 3.7Å; F94-V103 HydrophobicContact CG-CG2 4.32Å; F94-V103 PolarHBondContact N-O 3.05Å; F94-V103 PolarHBondContact O-N 3.42Å; F94-N108 WeakPolarHBondContact CD1-ND2 3.37Å; F94-N108 WeakPolarHBondContact CD2-ND2 2.99Å; F94-N108 VanDerWaalsContact CE2-ND2 3.29Å; F94-N108 WeakPolarHBondContact CE2-ND2 3.48Å; F94-N108 WeakPolarHBondContact CG-ND2 3.07Å; F94-D120 HydrophobicContact CD1-CB 4.26Å; F94-D120 HydrophobicContact CE1-CB 4.14Å; F94-R448 HydrophobicContact CD2-CG 4.29Å; F94-R448 HydrophobicContact CE2-CG 4.45Å
95	H	82.2	Confident	75.8	Confident	46 Å²	46	52.1 Å²	52.1	21%	0.213	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.1	175.3	-174.8	-88	0	0	0	110.2	P83 D87 C89	P83-H95 VanDerWaalsContact CG-CD2 3.47Å; P83-H95 WeakPolarHBondContact CG-CD2 3.36Å; D87-H95 VanDerWaalsContact CG-NE2 3.25Å; D87-H95 PolarHBondContact O-CD2 3.39Å; D87-H95 VanDerWaalsContact O-CD2 3.28Å; D87-H95 PolarHBondContact O-NE2 2.75Å; D87-H95 IonicContact OD1-CD2 2.76Å; D87-H95 IonicContact OD1-CE1 2.96Å; D87-H95 IonicContact OD1-NE2 3.48Å; D87-H95 PolarHBondContact OD1-NE2 3.17Å; D87-H95 IonicContact OD2-CE1 3.97Å; D87-H95 IonicContact OD2-NE2 2.68Å; D87-H95 PolarHBondContact OD2-NE2 3.22Å; C89-H95 HydrophobicContact CB-CB 4.46Å; C89-H95 WeakPolarHBondContact SG-CA 3.5Å; C89-H95 WeakPolarHBondContact SG-CB 3.34Å
96	C	84.7	Confident	75.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.2	129.3	173.3	-55.9	0	0	0	0	109.8	T98 T99 Q101 V103 C115 S119	C96-T98 PolarHBondContact O-N 3.48Å; C96-T99 VanDerWaalsContact CB-OG1 3.28Å; C96-T99 WeakPolarHBondContact CB-OG1 3.24Å; C96-Q101 HydrophobicContact CB-CB 3.98Å; C96-Q101 WeakPolarHBondContact CB-O 3.21Å; C96-Q101 PolarHBondContact N-O 3.37Å; C96-Q101 PolarHBondContact SG-O 3.37Å; C96-V103 VanDerWaalsContact SG-CG1 3.57Å; C96-C115 HydrophobicContact CB-CB 3.78Å; C96-C115 WeakPolarHBondContact CB-SG 3.25Å; C96-C115 WeakPolarHBondContact SG-CB 3.49Å; C96-C115 CovalentContact SG-SG 2.04Å; C96-C115 PolarHBondContact SG-SG 3.21Å; C96-S119 VanDerWaalsContact CA-OG 3.3Å; C96-S119 WeakPolarHBondContact CA-OG 3.19Å
97	N	77.8	Confident	75.4	Confident	118 Å²	118	46.5 Å²	46.5	63%	0.631	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.5	-165.8	-75.2	-19.2	0	0	0	114.3	D117 S119	N97-D117 PolarHBondContact N-OD2 3.35Å; N97-S119 PolarHBondContact N-OG 3.32Å; N97-S119 VanDerWaalsContact N-OG 3.12Å
98	T	72.8	Confident	75.5	Confident	109 Å²	109	42.7 Å²	42.7	67%	0.669	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-22.3	-171.4	62.7	0	0	0	0	113.9	C96 D117	C96-T98 PolarHBondContact O-N 3.48Å; T98-D117 WeakPolarHBondContact CB-OD2 3.36Å; T98-D117 PolarHBondContact N-OD2 3Å; T98-D117 WeakPolarHBondContact OG1-CB 3.5Å; T98-D117 PolarHBondContact OG1-OD2 3.16Å
99	T	66.6	Low	75.7	Confident	43 Å²	43	38.6 Å²	38.6	26%	0.264	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0	-168.6	54.1	0	0	0	0	114.5	C96 Q101 D116 D117	C96-T99 VanDerWaalsContact CB-OG1 3.28Å; C96-T99 WeakPolarHBondContact CB-OG1 3.24Å; T99-Q101 PolarHBondContact O-N 2.88Å; T99-Q101 VanDerWaalsContact O-N 3.17Å; T99-Q101 VanDerWaalsContact OG1-CD 3.27Å; T99-Q101 PolarHBondContact OG1-OE1 3.19Å; T99-D116 HydrophobicContact CG2-CB 3.51Å; T99-D117 HydrophobicContact CG2-CB 4.48Å
100	A	73.7	Confident	75.5	Confident	45 Å²	45	41 Å²	41	37%	0.372	24%	0.236	S	C	.	.			trans	45.6	45.2	-173.8	0	0	0	0	0	110.3	P83	P83-A100 VanDerWaalsContact CD-C 3.44Å; P83-A100 WeakPolarHBondContact CD-O 3.41Å; P83-A100 HydrophobicContact CG-CB 4.16Å
101	Q	85.7	Confident	75.4	Confident	33 Å²	33	41.3 Å²	41.3	15%	0.154	25%	0.25	C	S	.	.			trans	-111.8	139.3	177.5	-77.2	170.8	-13.3	0	0	107.1	I80 C96 T99 D116	I80-Q101 HydrophobicContact CG2-CB 3.67Å; I80-Q101 HydrophobicContact CG2-CG 3.6Å; C96-Q101 HydrophobicContact CB-CB 3.98Å; C96-Q101 WeakPolarHBondContact CB-O 3.21Å; C96-Q101 PolarHBondContact N-O 3.37Å; C96-Q101 PolarHBondContact SG-O 3.37Å; T99-Q101 PolarHBondContact O-N 2.88Å; T99-Q101 VanDerWaalsContact O-N 3.17Å; T99-Q101 VanDerWaalsContact OG1-CD 3.27Å; T99-Q101 PolarHBondContact OG1-OE1 3.19Å; Q101-D116 PolarHBondContact NE2-OD2 3.49Å
102	C	83.2	Confident	75.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	100.4	174.1	-68	0	0	0	0	108	I80 L81 C89 Y93 F94	I80-C102 CarbonylContact C-O 3.22Å; I80-C102 VanDerWaalsContact CA-O 3.26Å; I80-C102 WeakPolarHBondContact CA-O 3.41Å; L81-C102 HydrophobicContact CB-CB 3.77Å; L81-C102 PolarHBondContact N-O 2.97Å; L81-C102 VanDerWaalsContact O-CB 3.32Å; L81-C102 WeakPolarHBondContact O-CB 3.44Å; L81-C102 PolarHBondContact O-N 3.47Å; C89-C102 WeakPolarHBondContact CA-SG 3.18Å; C89-C102 HydrophobicContact CB-CB 3.83Å; C89-C102 WeakPolarHBondContact CB-SG 3.31Å; C89-C102 WeakPolarHBondContact SG-CA 3.37Å; C89-C102 WeakPolarHBondContact SG-CB 3.45Å; C89-C102 CovalentContact SG-SG 2.02Å; C89-C102 PolarHBondContact SG-SG 3.45Å; Y93-C102 HydrophobicContact CD1-CB 4.4Å; F94-C102 CarbonylContact O-C 3.44Å; F94-C102 VanDerWaalsContact O-CA 3.26Å; F94-C102 WeakPolarHBondContact O-CA 3.38Å
103	V	82.7	Confident	76.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151.4	175.2	-64.3	0	0	0	0	110.4	I80 Y93 F94 C96 A107 D114	I80-V103 HydrophobicContact CG1-CG1 4.33Å; Y93-V103 CarbonylContact C-O 3.44Å; Y93-V103 VanDerWaalsContact CA-O 3.28Å; Y93-V103 WeakPolarHBondContact CA-O 3.38Å; F94-V103 HydrophobicContact CB-CG2 3.95Å; F94-V103 HydrophobicContact CD1-CG2 3.7Å; F94-V103 HydrophobicContact CG-CG2 4.32Å; F94-V103 PolarHBondContact N-O 3.05Å; F94-V103 PolarHBondContact O-N 3.42Å; C96-V103 VanDerWaalsContact SG-CG1 3.57Å; V103-A107 HydrophobicContact CB-CB 4.33Å; V103-A107 HydrophobicContact CG2-CB 4.41Å; V103-D114 HydrophobicContact CG1-CB 4.36Å
104	P	73.5	Confident	77	Confident	12 Å²	12	46.3 Å²	46.3	8%	0.078	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	144	174.6	-28.1	37	0	0	0	112.2	D79 Y93 R106 A107 L461	D79-P104 HydrophobicContact CB-CG 3.27Å; Y93-P104 HydrophobicContact CD1-CG 4.45Å; Y93-P104 HydrophobicContact CE1-CG 4.13Å; P104-R106 HydrophobicContact CB-CG 4.02Å; P104-R106 PolarHBondContact O-N 2.95Å; P104-A107 WeakPolarHBondContact O-CB 3.4Å; P104-A107 PolarHBondContact O-N 2.98Å; P104-L461 HydrophobicContact CB-CD1 4.43Å
105	Q	71.6	Confident	77.2	Confident	13 Å²	13	45 Å²	45	6%	0.061	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.1	-18.5	-178.2	-161.1	57.9	70.1	0	0	114.6	G92 N108 V447 R448	G92-Q105 WeakPolarHBondContact O-CB 3.46Å; G92-Q105 PolarHBondContact O-N 2.9Å; Q105-N108 PolarHBondContact NE2-ND2 2.8Å; Q105-N108 WeakPolarHBondContact O-CB 3.37Å; Q105-V447 WeakPolarHBondContact CG-O 3.16Å; Q105-R448 VanDerWaalsContact CD-CA 3.49Å; Q105-R448 VanDerWaalsContact CD-O 3.22Å; Q105-R448 VanDerWaalsContact CG-O 3.25Å; Q105-R448 WeakPolarHBondContact CG-O 3.24Å; Q105-R448 VanDerWaalsContact NE2-C 3.34Å; Q105-R448 PolarHBondContact NE2-O 3.28Å
106	R	66.6	Low	77.3	Confident	103 Å²	103	48.9 Å²	48.9	39%	0.389	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-74.3	-27.1	175.5	64.1	151.3	169	-139.4	-8.6	114.3	D79 P104 N108 D110 L461 H462	D79-R106 IonicContact OD2-NH2 2.93Å; D79-R106 PolarHBondContact OD2-NH2 3.45Å; P104-R106 HydrophobicContact CB-CG 4.02Å; P104-R106 PolarHBondContact O-N 2.95Å; R106-N108 PolarHBondContact O-N 3.07Å; R106-D110 WeakPolarHBondContact O-CB 3.31Å; R106-L461 HydrophobicContact CB-CD1 4.31Å; R106-L461 HydrophobicContact CG-CD1 3.5Å; R106-L461 VanDerWaalsContact CG-CD1 3.5Å; R106-L461 VanDerWaalsContact NH1-CD1 3.26Å; R106-H462 PolarHBondContact NH1-CD2 3.42Å; R106-H462 PolarHBondContact NH1-NE2 2.65Å
107	A	74	Confident	77.3	Confident	5 Å²	5	51 Å²	51	4%	0.041	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-72.9	-1.8	179.4	0	0	0	0	0	110.9	V103 P104 D114	V103-A107 HydrophobicContact CB-CB 4.33Å; V103-A107 HydrophobicContact CG2-CB 4.41Å; P104-A107 WeakPolarHBondContact O-CB 3.4Å; P104-A107 PolarHBondContact O-N 2.98Å; A107-D114 HydrophobicContact CB-CB 3.93Å; A107-D114 WeakPolarHBondContact CB-OD2 3.33Å
108	N	75.3	Confident	77.6	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.043	29%	0.285	C	S	.	.	S	Bend	trans	-96	117.3	-176.3	-161.3	-43.4	0	0	0	109.3	F94 Q105 R106 D110 D120 R448	F94-N108 WeakPolarHBondContact CD1-ND2 3.37Å; F94-N108 WeakPolarHBondContact CD2-ND2 2.99Å; F94-N108 VanDerWaalsContact CE2-ND2 3.29Å; F94-N108 WeakPolarHBondContact CE2-ND2 3.48Å; F94-N108 WeakPolarHBondContact CG-ND2 3.07Å; Q105-N108 PolarHBondContact NE2-ND2 2.8Å; Q105-N108 WeakPolarHBondContact O-CB 3.37Å; R106-N108 PolarHBondContact O-N 3.07Å; N108-D110 VanDerWaalsContact C-N 3.3Å; N108-D110 PolarHBondContact O-N 3.08Å; N108-D120 PolarHBondContact OD1-O 2.99Å; N108-R448 WeakPolarHBondContact ND2-CG 3.48Å; N108-R448 PolarHBondContact ND2-NE 3.17Å; N108-R448 PolarHBondContact OD1-NE 3.05Å; N108-R448 PolarHBondContact OD1-NH2 3.48Å
109	C	76.7	Confident	78.1	Confident	36 Å²	36	41.9 Å²	41.9	24%	0.243	26%	0.255	C	S	.	.	S	Bend	trans	63.3	33.7	179.9	-58.4	0	0	0	0	113.7	D120 E121 C124	C109-D120 PolarHBondContact N-O 2.93Å; C109-E121 WeakPolarHBondContact CA-OE1 3.35Å; C109-E121 PolarHBondContact N-OE1 3.06Å; C109-C124 WeakPolarHBondContact CA-SG 3.27Å; C109-C124 HydrophobicContact CB-CB 3.46Å; C109-C124 VanDerWaalsContact CB-CB 3.46Å; C109-C124 WeakPolarHBondContact CB-SG 3.37Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.35Å; C109-C124 CovalentContact SG-SG 2.02Å; C109-C124 PolarHBondContact SG-SG 2.76Å
110	D	73	Confident	79	Confident	81 Å²	81	39.9 Å²	39.9	43%	0.433	24%	0.242	S	C	.	.	S	Bend	trans	-94.8	-4	176.3	74.3	-1.4	0	0	0	112.9	R106 N108 S112 E121	R106-D110 WeakPolarHBondContact O-CB 3.31Å; N108-D110 VanDerWaalsContact C-N 3.3Å; N108-D110 PolarHBondContact O-N 3.08Å; D110-S112 WeakPolarHBondContact OD1-CA 3.28Å; D110-S112 PolarHBondContact OD1-N 3.22Å; D110-S112 PolarHBondContact OD1-OG 2.82Å; D110-S112 PolarHBondContact OD2-OG 3.35Å; D110-E121 PolarHBondContact N-OE1 3.06Å
111	G	73.8	Confident	79.5	Confident	69 Å²	69	40.1 Å²	40.1	71%	0.711	24%	0.236	S	C	*	.	S	Bend	trans	90.1	2.2	-178.9	0	0	0	0	0	114	E121	G111-E121 WeakPolarHBondContact CA-OE2 3.29Å; G111-E121 PolarHBondContact N-OE1 3.05Å; G111-E121 PolarHBondContact N-OE2 3.18Å
112	S	77.6	Confident	79.2	Confident	53 Å²	53	41.9 Å²	41.9	37%	0.371	25%	0.249	S	C	.	.	S	Bend	trans	-112.5	145.5	171.5	21.2	0	0	0	0	111.5	D110 E121	D110-S112 WeakPolarHBondContact OD1-CA 3.28Å; D110-S112 PolarHBondContact OD1-N 3.22Å; D110-S112 PolarHBondContact OD1-OG 2.82Å; D110-S112 PolarHBondContact OD2-OG 3.35Å; S112-E121 VanDerWaalsContact O-CD 3.24Å; S112-E121 WeakPolarHBondContact O-CG 3.48Å
113	V	83.2	Confident	78.6	Confident	96 Å²	96	48 Å²	48	58%	0.582	28%	0.281	S	S	*	.			trans	-93.4	108	177	172.3	0	0	0	0	108.8	C115 A118 E121	V113-C115 WeakPolarHBondContact CG1-O 3.28Å; V113-A118 HydrophobicContact CB-CB 4.46Å; V113-A118 HydrophobicContact CG1-CB 3.65Å; V113-A118 HydrophobicContact CG2-CB 3.95Å; V113-E121 HydrophobicContact CG2-CG 4.1Å
114	D	83.4	Confident	78.3	Confident	73 Å²	73	50 Å²	50	39%	0.39	30%	0.295	S	S	.	.			trans	-108.2	-29.4	178.8	-68.1	-58.9	0	0	0	112.6	V103 A107 D120	V103-D114 HydrophobicContact CG1-CB 4.36Å; A107-D114 HydrophobicContact CB-CB 3.93Å; A107-D114 WeakPolarHBondContact CB-OD2 3.33Å; D114-D120 WeakPolarHBondContact CA-OD2 3.47Å; D114-D120 WeakPolarHBondContact CB-OD2 3.23Å; D114-D120 PolarHBondContact N-OD2 3.34Å
115	C	83.9	Confident	78.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	32%	0.324	C	S	.	.	S	Bend	trans	-75.8	135.7	166.5	-71.2	0	0	0	0	110.2	C96 V113 D117 A118 D120	C96-C115 HydrophobicContact CB-CB 3.78Å; C96-C115 WeakPolarHBondContact CB-SG 3.25Å; C96-C115 WeakPolarHBondContact SG-CB 3.49Å; C96-C115 CovalentContact SG-SG 2.04Å; C96-C115 PolarHBondContact SG-SG 3.21Å; V113-C115 WeakPolarHBondContact CG1-O 3.28Å; C115-D117 VanDerWaalsContact CB-OD1 3.26Å; C115-D117 WeakPolarHBondContact CB-OD1 3.22Å; C115-D117 PolarHBondContact O-N 2.9Å; C115-A118 PolarHBondContact O-N 3.18Å; C115-D120 HydrophobicContact CB-CB 4.3Å; C115-D120 PolarHBondContact N-OD2 2.92Å
116	D	84.1	Confident	78.8	Confident	127 Å²	127	55 Å²	55	68%	0.679	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.5	176.5	-80.5	-22.6	0	0	0	113.2	T99 Q101	T99-D116 HydrophobicContact CG2-CB 3.51Å; Q101-D116 PolarHBondContact NE2-OD2 3.49Å
117	D	84.5	Confident	79.4	Confident	45 Å²	45	56.2 Å²	56.2	24%	0.241	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.1	178.1	68.3	-6.1	0	0	0	114.6	N97 T98 T99 C115 S119	N97-D117 PolarHBondContact N-OD2 3.35Å; T98-D117 WeakPolarHBondContact CB-OD2 3.36Å; T98-D117 PolarHBondContact N-OD2 3Å; T98-D117 WeakPolarHBondContact OG1-CB 3.5Å; T98-D117 PolarHBondContact OG1-OD2 3.16Å; T99-D117 HydrophobicContact CG2-CB 4.48Å; C115-D117 VanDerWaalsContact CB-OD1 3.26Å; C115-D117 WeakPolarHBondContact CB-OD1 3.22Å; C115-D117 PolarHBondContact O-N 2.9Å; D117-S119 PolarHBondContact O-N 3.36Å; D117-S119 VanDerWaalsContact O-N 3.14Å; D117-S119 WeakPolarHBondContact OD1-CB 3.47Å; D117-S119 PolarHBondContact OD1-N 3.28Å; D117-S119 PolarHBondContact OD1-OG 3.04Å; D117-S119 PolarHBondContact OD2-OG 2.91Å
118	A	83.5	Confident	79.8	Confident	31 Å²	31	56.3 Å²	56.3	26%	0.256	34%	0.336	S	S	.	.			trans	55.4	21.2	-175.2	0	0	0	0	0	114.8	V113 C115 D120 E121 V122	V113-A118 HydrophobicContact CB-CB 4.46Å; V113-A118 HydrophobicContact CG1-CB 3.65Å; V113-A118 HydrophobicContact CG2-CB 3.95Å; C115-A118 PolarHBondContact O-N 3.18Å; A118-D120 VanDerWaalsContact CA-OD1 3.28Å; A118-D120 WeakPolarHBondContact CA-OD1 3.38Å; A118-D120 PolarHBondContact O-N 3.05Å; A118-E121 PolarHBondContact O-N 3.27Å; A118-E121 VanDerWaalsContact O-N 3.15Å; A118-V122 WeakPolarHBondContact O-CG2 3.39Å
119	S	84.6	Confident	80.1	Confident	5 Å²	5	57.6 Å²	57.6	4%	0.035	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67	-22.1	-177.4	55.1	0	0	0	0	113.9	C96 N97 D117 E121	C96-S119 VanDerWaalsContact CA-OG 3.3Å; C96-S119 WeakPolarHBondContact CA-OG 3.19Å; N97-S119 PolarHBondContact N-OG 3.32Å; N97-S119 VanDerWaalsContact N-OG 3.12Å; D117-S119 PolarHBondContact O-N 3.36Å; D117-S119 VanDerWaalsContact O-N 3.14Å; D117-S119 WeakPolarHBondContact OD1-CB 3.47Å; D117-S119 PolarHBondContact OD1-N 3.28Å; D117-S119 PolarHBondContact OD1-OG 3.04Å; D117-S119 PolarHBondContact OD2-OG 2.91Å; S119-E121 VanDerWaalsContact C-N 3.33Å
120	D	84.1	Confident	80.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-62.8	-34.1	171	54	-22.3	0	0	0	113.3	F94 N108 C109 D114 C115 A118 R448	F94-D120 HydrophobicContact CD1-CB 4.26Å; F94-D120 HydrophobicContact CE1-CB 4.14Å; N108-D120 PolarHBondContact OD1-O 2.99Å; C109-D120 PolarHBondContact N-O 2.93Å; D114-D120 WeakPolarHBondContact CA-OD2 3.47Å; D114-D120 WeakPolarHBondContact CB-OD2 3.23Å; D114-D120 PolarHBondContact N-OD2 3.34Å; C115-D120 HydrophobicContact CB-CB 4.3Å; C115-D120 PolarHBondContact N-OD2 2.92Å; A118-D120 VanDerWaalsContact CA-OD1 3.28Å; A118-D120 WeakPolarHBondContact CA-OD1 3.38Å; A118-D120 PolarHBondContact O-N 3.05Å; D120-R448 PolarHBondContact O-NH2 3.3Å
121	E	84.4	Confident	80.7	Confident	51 Å²	51	57.9 Å²	57.9	24%	0.238	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-96.3	6.6	-177.7	-67.3	-60.2	114.3	0	0	114	C109 D110 G111 S112 V113 A118 S119 C124	C109-E121 WeakPolarHBondContact CA-OE1 3.35Å; C109-E121 PolarHBondContact N-OE1 3.06Å; D110-E121 PolarHBondContact N-OE1 3.06Å; G111-E121 WeakPolarHBondContact CA-OE2 3.29Å; G111-E121 PolarHBondContact N-OE1 3.05Å; G111-E121 PolarHBondContact N-OE2 3.18Å; S112-E121 VanDerWaalsContact O-CD 3.24Å; S112-E121 WeakPolarHBondContact O-CG 3.48Å; V113-E121 HydrophobicContact CG2-CG 4.1Å; A118-E121 PolarHBondContact O-N 3.27Å; A118-E121 VanDerWaalsContact O-N 3.15Å; S119-E121 VanDerWaalsContact C-N 3.33Å; E121-C124 VanDerWaalsContact C-SG 3.57Å; E121-C124 PolarHBondContact O-SG 3.11Å
122	V	80.1	Confident	81.2	Confident	70 Å²	70	54.8 Å²	54.8	42%	0.424	31%	0.313	S	S	.	.	S	Bend	trans	-94.2	137.3	180	175.8	0	0	0	0	111	A118 R448	A118-V122 WeakPolarHBondContact O-CG2 3.39Å; V122-R448 PolarHBondContact O-NH1 3.13Å; V122-R448 PolarHBondContact O-NH2 3.39Å
123	N	70.4	Confident	81.3	Confident	127 Å²	127	57.6 Å²	57.6	68%	0.679	32%	0.316	S	S	*	.	S	Bend	trans	61	41.6	177.8	-59.8	-27.7	0	0	0	114.6	V125 Y432	N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 2.87Å; N123-Y432 PolarHBondContact O-OH 3.36Å
124	C	75.9	Confident	81.1	Confident	45 Å²	45	55.6 Å²	55.6	30%	0.304	30%	0.302	S	S	.	.			trans	-78.1	-7.4	176.8	-63	0	0	0	0	115.1	C109 E121 Y432	C109-C124 WeakPolarHBondContact CA-SG 3.27Å; C109-C124 HydrophobicContact CB-CB 3.46Å; C109-C124 VanDerWaalsContact CB-CB 3.46Å; C109-C124 WeakPolarHBondContact CB-SG 3.37Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.35Å; C109-C124 CovalentContact SG-SG 2.02Å; C109-C124 PolarHBondContact SG-SG 2.76Å; E121-C124 VanDerWaalsContact C-SG 3.57Å; E121-C124 PolarHBondContact O-SG 3.11Å; C124-Y432 WeakPolarHBondContact CA-OH 3.24Å; C124-Y432 PolarHBondContact O-OH 2.84Å
125	V	73.9	Confident	80.7	Confident	113 Å²	113	52.8 Å²	52.8	69%	0.685	29%	0.286	S	S	*	.	S	Bend	trans	-90.6	120.3	176.9	-177.8	0	0	0	0	108.4	N123 E127	N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 2.87Å; V125-E127 PolarHBondContact O-N 3.25Å
126	N	81.4	Confident	80.4	Confident	15 Å²	15	53.8 Å²	53.8	8%	0.08	29%	0.292	C	S	.	.			trans	-74.6	91.9	170.3	-171.3	-8.8	0	0	0	110.5	V128 D129 A130 S408 Y432 Y434	N126-V128 PolarHBondContact O-N 3.47Å; N126-V128 WeakPolarHBondContact OD1-CA 3.29Å; N126-V128 WeakPolarHBondContact OD1-CB 3.41Å; N126-V128 PolarHBondContact OD1-N 3.35Å; N126-D129 HydrophobicContact CB-CB 4.06Å; N126-D129 PolarHBondContact O-N 3.42Å; N126-D129 PolarHBondContact OD1-N 3.21Å; N126-A130 PolarHBondContact O-N 3.47Å; N126-A130 VanDerWaalsContact O-N 3.1Å; N126-S408 PolarHBondContact ND2-OG 2.92Å; N126-Y432 HydrophobicContact CB-CD1 3.95Å; N126-Y432 HydrophobicContact CB-CD2 4.26Å; N126-Y432 HydrophobicContact CB-CE1 3.92Å; N126-Y432 HydrophobicContact CB-CE2 4.26Å; N126-Y432 HydrophobicContact CB-CG 4.12Å; N126-Y434 WeakPolarHBondContact CB-OH 3.31Å; N126-Y434 VanDerWaalsContact ND2-CE2 3.31Å; N126-Y434 WeakPolarHBondContact ND2-CE2 3.17Å; N126-Y434 PolarHBondContact ND2-OH 2.94Å
127	E	79	Confident	79.9	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-26.7	174.4	-68.8	-165.3	175.7	0	0	113.1	V125 K131	V125-E127 PolarHBondContact O-N 3.25Å; E127-K131 WeakPolarHBondContact O-CB 3.31Å; E127-K131 VanDerWaalsContact O-CG 3.31Å; E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 3.45Å
128	V	83.6	Confident	79.2	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-45.3	176.3	-176.9	0	0	0	0	109.9	N126 K131 Y132 Y360	N126-V128 PolarHBondContact O-N 3.47Å; N126-V128 WeakPolarHBondContact OD1-CA 3.29Å; N126-V128 WeakPolarHBondContact OD1-CB 3.41Å; N126-V128 PolarHBondContact OD1-N 3.35Å; V128-K131 PolarHBondContact O-N 2.9Å; V128-Y132 PolarHBondContact O-N 2.91Å; V128-Y360 HydrophobicContact CB-CE1 4.48Å; V128-Y360 HydrophobicContact CG1-CD1 3.98Å; V128-Y360 HydrophobicContact CG1-CE1 4.21Å; V128-Y360 HydrophobicContact CG2-CE1 4.04Å
129	D	81	Confident	78.1	Confident	35 Å²	35	61.5 Å²	61.5	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-42.1	177.8	-168	49	0	0	0	111.2	N126 K131 Y132 W133 H386	N126-D129 HydrophobicContact CB-CB 4.06Å; N126-D129 PolarHBondContact O-N 3.42Å; N126-D129 PolarHBondContact OD1-N 3.21Å; D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 3.14Å; D129-Y132 WeakPolarHBondContact O-CB 3.29Å; D129-Y132 PolarHBondContact O-N 3.25Å; D129-Y132 VanDerWaalsContact O-N 3.08Å; D129-W133 VanDerWaalsContact CG-NE1 3.34Å; D129-W133 PolarHBondContact O-N 3.44Å; D129-W133 PolarHBondContact OD1-NE1 3Å; D129-W133 PolarHBondContact OD2-NE1 3.01Å; D129-H386 IonicContact OD1-CE1 2.95Å
130	A	79.4	Confident	77	Confident	56 Å²	56	67.9 Å²	67.9	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-56.7	-41.5	173	0	0	0	0	0	112.2	N126 W133 D134	N126-A130 PolarHBondContact O-N 3.47Å; N126-A130 VanDerWaalsContact O-N 3.1Å; A130-W133 PolarHBondContact O-N 3.17Å; A130-D134 WeakPolarHBondContact O-CB 3.44Å; A130-D134 PolarHBondContact O-N 3.26Å
131	K	82.3	Confident	75.8	Confident	67 Å²	67	71.8 Å²	71.8	29%	0.291	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-39.5	174.6	-75.1	175	-167.5	174.7	0	112	E127 V128 D129 W133 D134 H135 Y360	E127-K131 WeakPolarHBondContact O-CB 3.31Å; E127-K131 VanDerWaalsContact O-CG 3.31Å; E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 3.45Å; V128-K131 PolarHBondContact O-N 2.9Å; D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 3.14Å; K131-W133 VanDerWaalsContact C-N 3.32Å; K131-W133 PolarHBondContact O-N 3.37Å; K131-D134 WeakPolarHBondContact O-CB 3.49Å; K131-D134 PolarHBondContact O-N 3.41Å; K131-H135 VanDerWaalsContact C-CD2 3.48Å; K131-H135 VanDerWaalsContact O-CB 3.31Å; K131-H135 WeakPolarHBondContact O-CB 3.22Å; K131-H135 PolarHBondContact O-CD2 3.47Å; K131-H135 PolarHBondContact O-N 3.46Å; K131-Y360 HydrophobicContact CD-CD2 4.21Å; K131-Y360 HydrophobicContact CD-CE1 4.21Å; K131-Y360 HydrophobicContact CD-CE2 3.48Å; K131-Y360 VanDerWaalsContact CD-CE2 3.48Å; K131-Y360 PolarHBondContact NZ-OH 2.75Å
132	Y	84.2	Confident	74.5	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-55.6	-48.3	173.6	169.1	-111.6	0	0	0	111.9	V128 D129 D134 H135 L136 F362 A364 H386	V128-Y132 PolarHBondContact O-N 2.91Å; D129-Y132 WeakPolarHBondContact O-CB 3.29Å; D129-Y132 PolarHBondContact O-N 3.25Å; D129-Y132 VanDerWaalsContact O-N 3.08Å; Y132-D134 VanDerWaalsContact C-N 3.34Å; Y132-D134 PolarHBondContact O-N 2.79Å; Y132-H135 PolarHBondContact O-N 3.01Å; Y132-L136 HydrophobicContact CE1-CD2 4.42Å; Y132-L136 WeakPolarHBondContact O-CB 3.36Å; Y132-L136 PolarHBondContact O-N 2.91Å; Y132-F362 HydrophobicContact CD2-CB 4.47Å; Y132-F362 AromaticContact CD2-CD1 3.38Å; Y132-F362 HydrophobicContact CD2-CD1 3.38Å; Y132-F362 AromaticContact CD2-CE1 3.73Å; Y132-F362 HydrophobicContact CD2-CE1 3.73Å; Y132-F362 AromaticContact CD2-CG 3.99Å; Y132-F362 HydrophobicContact CD2-CG 3.99Å; Y132-F362 HydrophobicContact CE2-CD1 4.18Å; Y132-F362 HydrophobicContact CG-CD1 4.22Å; Y132-F362 HydrophobicContact CG-CE1 4.15Å; Y132-A364 HydrophobicContact CE2-CB 4.12Å; Y132-A364 WeakPolarHBondContact OH-CB 3.43Å; Y132-H386 WeakPolarHBondContact CB-CE1 3.33Å; Y132-H386 AromaticContact CD1-CE1 3.7Å; Y132-H386 AromaticContact CD1-ND1 3.67Å; Y132-H386 AromaticContact CD2-CE1 3.73Å; Y132-H386 AromaticContact CD2-CG 3.98Å; Y132-H386 AromaticContact CD2-ND1 3.3Å; Y132-H386 VanDerWaalsContact CD2-ND1 3.3Å; Y132-H386 WeakPolarHBondContact CD2-ND1 3.46Å; Y132-H386 AromaticContact CE2-ND1 3.73Å; Y132-H386 AromaticContact CG-CE1 3.23Å; Y132-H386 AromaticContact CG-ND1 3.24Å
133	W	80.7	Confident	73.5	Confident	112 Å²	112	68.8 Å²	68.8	42%	0.424	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-36.9	177.2	-62.9	117.6	0	0	0	112.5	D129 A130 K131 L136 Y137	D129-W133 VanDerWaalsContact CG-NE1 3.34Å; D129-W133 PolarHBondContact O-N 3.44Å; D129-W133 PolarHBondContact OD1-NE1 3Å; D129-W133 PolarHBondContact OD2-NE1 3.01Å; A130-W133 PolarHBondContact O-N 3.17Å; K131-W133 VanDerWaalsContact C-N 3.32Å; K131-W133 PolarHBondContact O-N 3.37Å; W133-L136 HydrophobicContact CE3-CD2 4.04Å; W133-L136 HydrophobicContact CZ3-CD2 3.89Å; W133-L136 PolarHBondContact O-N 3.45Å; W133-Y137 AromaticContact CE3-CD2 3.97Å; W133-Y137 HydrophobicContact CE3-CD2 3.97Å; W133-Y137 AromaticContact CE3-CE2 3.46Å; W133-Y137 HydrophobicContact CE3-CE2 3.46Å; W133-Y137 VanDerWaalsContact CE3-CE2 3.46Å; W133-Y137 AromaticContact CZ3-CE2 3.79Å; W133-Y137 HydrophobicContact CZ3-CE2 3.79Å; W133-Y137 WeakPolarHBondContact O-CA 3.04Å; W133-Y137 WeakPolarHBondContact O-CB 3.29Å; W133-Y137 PolarHBondContact O-N 2.92Å
134	D	78.8	Confident	73.5	Confident	54 Å²	54	71.1 Å²	71.1	29%	0.289	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-39	173.6	-164.8	69.5	0	0	0	112.4	A130 K131 Y132 Y137 R138 K139	A130-D134 WeakPolarHBondContact O-CB 3.44Å; A130-D134 PolarHBondContact O-N 3.26Å; K131-D134 WeakPolarHBondContact O-CB 3.49Å; K131-D134 PolarHBondContact O-N 3.41Å; Y132-D134 VanDerWaalsContact C-N 3.34Å; Y132-D134 PolarHBondContact O-N 2.79Å; D134-Y137 CarbonylContact O-C 3.57Å; D134-Y137 VanDerWaalsContact O-C 3.22Å; D134-Y137 VanDerWaalsContact O-O 3.07Å; D134-R138 VanDerWaalsContact O-CA 3.24Å; D134-R138 WeakPolarHBondContact O-CA 3.25Å; D134-R138 PolarHBondContact O-N 3.03Å; D134-K139 WeakPolarHBondContact OD1-CD 3.43Å; D134-K139 VanDerWaalsContact OD1-CE 3.24Å; D134-K139 WeakPolarHBondContact OD1-CE 3.48Å; D134-K139 VanDerWaalsContact OD1-CG 3.24Å; D134-K139 WeakPolarHBondContact OD1-CG 3.23Å; D134-K139 IonicContact OD1-NZ 3.28Å
135	H	75.8	Confident	73.7	Confident	15 Å²	15	70.3 Å²	70.3	7%	0.069	34%	0.34	C	S	.	.	H	α-helix	trans	-72.7	-37.3	177.5	-70.5	-45.7	0	0	0	112.5	K131 Y132 R292 Y314 F362	K131-H135 VanDerWaalsContact C-CD2 3.48Å; K131-H135 VanDerWaalsContact O-CB 3.31Å; K131-H135 WeakPolarHBondContact O-CB 3.22Å; K131-H135 PolarHBondContact O-CD2 3.47Å; K131-H135 PolarHBondContact O-N 3.46Å; Y132-H135 PolarHBondContact O-N 3.01Å; H135-R292 PolarHBondContact O-NH1 3.38Å; H135-Y314 HydrophobicContact CB-CE1 3.8Å; H135-Y314 PolarHBondContact CE1-OH 3.08Å; H135-Y314 AromaticContact CG-CE1 3.79Å; H135-Y314 AromaticContact ND1-CE1 3.34Å; H135-Y314 VanDerWaalsContact ND1-CE1 3.34Å; H135-Y314 WeakPolarHBondContact ND1-CE1 3.35Å; H135-Y314 AromaticContact ND1-CZ 3.44Å; H135-Y314 PolarHBondContact ND1-OH 2.91Å; H135-F362 HydrophobicContact CB-CD2 4.39Å; H135-F362 HydrophobicContact CB-CE2 3.91Å; H135-F362 HydrophobicContact CB-CZ 4.48Å; H135-F362 AromaticContact CD2-CE2 3.16Å; H135-F362 WeakPolarHBondContact CD2-CE2 3.4Å; H135-F362 AromaticContact CD2-CZ 3.36Å; H135-F362 WeakPolarHBondContact CD2-CZ 3.35Å; H135-F362 AromaticContact CG-CE2 3.7Å
136	L	76.3	Confident	73.9	Confident	22 Å²	22	69.9 Å²	69.9	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-73.2	-52.4	176.5	-171.4	65.6	0	0	0	110.7	Y132 W133 Y342	Y132-L136 HydrophobicContact CE1-CD2 4.42Å; Y132-L136 WeakPolarHBondContact O-CB 3.36Å; Y132-L136 PolarHBondContact O-N 2.91Å; W133-L136 HydrophobicContact CE3-CD2 4.04Å; W133-L136 HydrophobicContact CZ3-CD2 3.89Å; W133-L136 PolarHBondContact O-N 3.45Å; L136-Y342 HydrophobicContact CD1-CD2 3.96Å; L136-Y342 HydrophobicContact CD1-CE2 3.56Å; L136-Y342 HydrophobicContact CD2-CE2 4.31Å
137	Y	74.2	Confident	74.1	Confident	156 Å²	156	75.5 Å²	75.5	61%	0.612	36%	0.364	S	S	*	.	S	Bend	trans	-102.1	81.5	175.8	-53.1	-64.1	0	0	0	109	W133 D134 K139	W133-Y137 AromaticContact CE3-CD2 3.97Å; W133-Y137 HydrophobicContact CE3-CD2 3.97Å; W133-Y137 AromaticContact CE3-CE2 3.46Å; W133-Y137 HydrophobicContact CE3-CE2 3.46Å; W133-Y137 VanDerWaalsContact CE3-CE2 3.46Å; W133-Y137 AromaticContact CZ3-CE2 3.79Å; W133-Y137 HydrophobicContact CZ3-CE2 3.79Å; W133-Y137 WeakPolarHBondContact O-CA 3.04Å; W133-Y137 WeakPolarHBondContact O-CB 3.29Å; W133-Y137 PolarHBondContact O-N 2.92Å; D134-Y137 CarbonylContact O-C 3.57Å; D134-Y137 VanDerWaalsContact O-C 3.22Å; D134-Y137 VanDerWaalsContact O-O 3.07Å; Y137-K139 PolarHBondContact O-N 3.49Å
138	R	68.8	Low	74.4	Confident	53 Å²	53	71.7 Å²	71.7	20%	0.2	35%	0.347	C	S	.	.			trans	-52.3	115	-178.6	-179.6	165.5	-172.1	-162.8	3.2	111.2	D134 Q140 I266 E288 D290 R292	D134-R138 VanDerWaalsContact O-CA 3.24Å; D134-R138 WeakPolarHBondContact O-CA 3.25Å; D134-R138 PolarHBondContact O-N 3.03Å; R138-Q140 PolarHBondContact O-N 3.21Å; R138-I266 VanDerWaalsContact CZ-CD1 3.4Å; R138-I266 VanDerWaalsContact NH2-CG1 3.3Å; R138-E288 IonicContact CZ-OE1 3.3Å; R138-E288 IonicContact NE-OE1 3.91Å; R138-E288 IonicContact NH2-OE1 3.16Å; R138-E288 PolarHBondContact NH2-OE1 3.2Å; R138-D290 IonicContact CZ-OD2 2.65Å; R138-D290 IonicContact NH1-OD2 2.7Å; R138-D290 PolarHBondContact NH1-OD2 2.94Å; R138-R292 VanDerWaalsContact CB-NH2 3.35Å
139	K	61.3	Low	74.6	Confident	155 Å²	155	80.5 Å²	80.5	67%	0.674	38%	0.38	S	S	*	.			trans	-63.2	127.8	164.5	-72.3	-177.3	-166.1	157.5	0	108.2	D134 Y137 P141	D134-K139 WeakPolarHBondContact OD1-CD 3.43Å; D134-K139 VanDerWaalsContact OD1-CE 3.24Å; D134-K139 WeakPolarHBondContact OD1-CE 3.48Å; D134-K139 VanDerWaalsContact OD1-CG 3.24Å; D134-K139 WeakPolarHBondContact OD1-CG 3.23Å; D134-K139 IonicContact OD1-NZ 3.28Å; Y137-K139 PolarHBondContact O-N 3.49Å; K139-P141 WeakPolarHBondContact O-CD 3.4Å
140	Q	61.8	Low	74.9	Confident	140 Å²	140	83.7 Å²	83.7	65%	0.654	40%	0.396	S	S	*	.			trans	-63.7	129.6	172.6	-66	-176.7	-0.7	0	0	107.6	R138 F142	R138-Q140 PolarHBondContact O-N 3.21Å; Q140-F142 HydrophobicContact CB-CD2 4.29Å; Q140-F142 PolarHBondContact O-N 3.42Å
141	P	57.7	Low	75.1	Confident	82 Å²	82	83.5 Å²	83.5	53%	0.532	40%	0.399	S	S	.	.			trans	-77.4	-3.1	173.1	30.6	-33.6	0	0	0	112.5	K139 Y242	K139-P141 WeakPolarHBondContact O-CD 3.4Å; P141-Y242 WeakPolarHBondContact CG-OH 3.49Å
142	F	57.4	Low	75.4	Confident	32 Å²	32	84.7 Å²	84.7	14%	0.14	41%	0.406	C	S	.	.			trans	-71.4	138	174	-58.8	-73.1	0	0	0	110.7	Q140 T190 V216 Y242	Q140-F142 HydrophobicContact CB-CD2 4.29Å; Q140-F142 PolarHBondContact O-N 3.42Å; F142-T190 HydrophobicContact CD1-CG2 4.32Å; F142-T190 HydrophobicContact CE1-CG2 3.88Å; F142-V216 HydrophobicContact CE1-CG2 3.47Å; F142-V216 VanDerWaalsContact CE1-CG2 3.47Å; F142-V216 HydrophobicContact CE2-CG1 4.45Å; F142-V216 HydrophobicContact CE2-CG2 4.44Å; F142-V216 HydrophobicContact CZ-CB 4.32Å; F142-V216 HydrophobicContact CZ-CG1 4.01Å; F142-V216 HydrophobicContact CZ-CG2 3.33Å; F142-Y242 HydrophobicContact CE1-CD2 4.39Å; F142-Y242 AromaticContact CE1-CE2 3.91Å; F142-Y242 HydrophobicContact CE1-CE2 3.91Å; F142-Y242 HydrophobicContact CE2-CD1 4.33Å; F142-Y242 HydrophobicContact CE2-CD2 4.13Å; F142-Y242 HydrophobicContact CE2-CE1 4.04Å; F142-Y242 AromaticContact CE2-CE2 3.79Å; F142-Y242 HydrophobicContact CE2-CE2 3.79Å; F142-Y242 HydrophobicContact CE2-CG 4.38Å; F142-Y242 AromaticContact CE2-CZ 3.79Å; F142-Y242 HydrophobicContact CZ-CD1 4.44Å; F142-Y242 AromaticContact CZ-CD2 3.44Å; F142-Y242 HydrophobicContact CZ-CD2 3.44Å; F142-Y242 VanDerWaalsContact CZ-CD2 3.44Å; F142-Y242 HydrophobicContact CZ-CE1 4.24Å; F142-Y242 AromaticContact CZ-CE2 3.14Å; F142-Y242 HydrophobicContact CZ-CE2 3.14Å; F142-Y242 HydrophobicContact CZ-CG 4.09Å; F142-Y242 AromaticContact CZ-CZ 3.64Å
143	G	58.5	Low	75.6	Confident	26 Å²	26	86.6 Å²	86.6	27%	0.268	42%	0.42	S	S	.	.			trans	137.3	9.1	-179	0	0	0	0	0	114.5	H145 D146	G143-H145 PolarHBondContact O-N 3.39Å; G143-D146 VanDerWaalsContact CA-OD2 3.3Å; G143-D146 WeakPolarHBondContact CA-OD2 3.48Å; G143-D146 PolarHBondContact O-N 3.24Å
144	R	71.5	Confident	76	Confident	176 Å²	176	86.8 Å²	86.8	66%	0.664	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-35.4	173.7	-168.1	-176.9	-170.4	-169.2	3.4	111.6	D167	R144-D167 IonicContact NH1-OD2 3.12Å
145	H	80.6	Confident	76.4	Confident	27 Å²	27	85.8 Å²	85.8	13%	0.125	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	18.9	179.5	-66.2	-63.9	0	0	0	114.6	G143 N147 L148 R165 D167 E168	G143-H145 PolarHBondContact O-N 3.39Å; H145-N147 PolarHBondContact O-N 3.37Å; H145-N147 PolarHBondContact O-OD1 2.96Å; H145-L148 HydrophobicContact CB-CD1 4.1Å; H145-L148 HydrophobicContact CB-CG 4.47Å; H145-L148 WeakPolarHBondContact O-CB 3.28Å; H145-L148 PolarHBondContact O-N 3.2Å; H145-R165 HydrophobicContact CB-CG 4.07Å; H145-R165 WeakPolarHBondContact O-CD 3.48Å; H145-D167 IonicContact CD2-OD1 3.29Å; H145-D167 PolarHBondContact CD2-OD1 3.28Å; H145-D167 IonicContact NE2-OD1 3.5Å; H145-D167 PolarHBondContact NE2-OD1 3.08Å; H145-D167 IonicContact NE2-OD2 3.68Å; H145-E168 IonicContact CD2-OE1 3.73Å
146	D	78.2	Confident	76.4	Confident	105 Å²	105	90.1 Å²	90.1	56%	0.561	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	-179.7	-87.1	-9.7	0	0	0	114.4	G143 L148 R165	G143-D146 VanDerWaalsContact CA-OD2 3.3Å; G143-D146 WeakPolarHBondContact CA-OD2 3.48Å; G143-D146 PolarHBondContact O-N 3.24Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-R165 IonicContact OD1-NH1 2.94Å; D146-R165 PolarHBondContact OD1-NH1 3.34Å
147	N	83.9	Confident	75.8	Confident	133 Å²	133	97.3 Å²	97.3	71%	0.711	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.5	171.2	63	-29.3	0	0	0	114	H145	H145-N147 PolarHBondContact O-N 3.37Å; H145-N147 PolarHBondContact O-OD1 2.96Å
148	L	87.2	Confident	75.5	Confident	49 Å²	49	95.3 Å²	95.3	26%	0.257	48%	0.484	S	S	.	.	S	Bend	trans	-90.5	147.1	178.9	-61.2	179.8	0	0	0	111.2	H145 D146 R165	H145-L148 HydrophobicContact CB-CD1 4.1Å; H145-L148 HydrophobicContact CB-CG 4.47Å; H145-L148 WeakPolarHBondContact O-CB 3.28Å; H145-L148 PolarHBondContact O-N 3.2Å; D146-L148 VanDerWaalsContact C-N 3.33Å; L148-R165 HydrophobicContact CB-CG 3.97Å
149	R	86.5	Confident	76.1	Confident	191 Å²	191	99.4 Å²	99.4	72%	0.721	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-77.8	150.1	174.6	-62.5	-178.2	-166.8	175.6	7.1	110.1	G151 E152	R149-G151 PolarHBondContact O-N 2.97Å; R149-E152 HydrophobicContact CB-CG 4.33Å; R149-E152 PolarHBondContact N-OE2 3.45Å; R149-E152 VanDerWaalsContact N-OE2 3.07Å; R149-E152 WeakPolarHBondContact O-CB 3.41Å; R149-E152 PolarHBondContact O-N 3.24Å; R149-E152 VanDerWaalsContact O-N 3.11Å
150	I	87.1	Confident	77.1	Confident	102 Å²	102	92.9 Å²	92.9	52%	0.523	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	129.3	170.9	-57.7	178.2	0	0	0	108.6	P163	I150-P163 HydrophobicContact CG2-CB 3.68Å
151	G	85.2	Confident	78.2	Confident	52 Å²	52	88.3 Å²	88.3	54%	0.536	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-14	-174.9	0	0	0	0	0	114.5	R149 C153 C164	R149-G151 PolarHBondContact O-N 2.97Å; G151-C153 VanDerWaalsContact C-N 3.35Å; G151-C153 PolarHBondContact O-N 3Å; G151-C153 VanDerWaalsContact O-N 3.08Å; G151-C164 PolarHBondContact N-O 3.17Å
152	E	88.3	Confident	79.8	Confident	92 Å²	92	84.7 Å²	84.7	43%	0.43	44%	0.442	S	S	.	.			trans	-80.3	82.4	170.5	-67.6	176.7	172.8	0	0	109.3	R149 G166	R149-E152 HydrophobicContact CB-CG 4.33Å; R149-E152 PolarHBondContact N-OE2 3.45Å; R149-E152 VanDerWaalsContact N-OE2 3.07Å; R149-E152 WeakPolarHBondContact O-CB 3.41Å; R149-E152 PolarHBondContact O-N 3.24Å; R149-E152 VanDerWaalsContact O-N 3.11Å; E152-G166 PolarHBondContact O-N 2.95Å
153	C	88.3	Confident	81.4	Confident	45 Å²	45	86.1 Å²	86.1	30%	0.304	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-84	148	177.5	-37.2	0	0	0	0	111.7	G151 W155 C164	G151-C153 VanDerWaalsContact C-N 3.35Å; G151-C153 PolarHBondContact O-N 3Å; G151-C153 VanDerWaalsContact O-N 3.08Å; C153-W155 HydrophobicContact CB-CE3 4.22Å; C153-C164 WeakPolarHBondContact CA-SG 3.49Å; C153-C164 HydrophobicContact CB-CB 3.81Å; C153-C164 WeakPolarHBondContact CB-SG 3.47Å; C153-C164 PolarHBondContact N-SG 3.41Å; C153-C164 WeakPolarHBondContact SG-CB 3.45Å; C153-C164 CovalentContact SG-SG 1.99Å; C153-C164 PolarHBondContact SG-SG 2.92Å
154	L	88.8	Confident	82.9	Confident	115 Å²	115	85 Å²	85	60%	0.602	44%	0.443	S	S	*	.	S	Bend	trans	-77.1	-23.6	168.7	-71.5	173.2	0	0	0	112.9	G166 D167	L154-G166 PolarHBondContact N-O 3.37Å; L154-D167 HydrophobicContact CD1-CB 3.96Å
155	W	86.9	Confident	83.9	Confident	34 Å²	34	78.9 Å²	78.9	13%	0.129	42%	0.42	C	S	.	.	S	Bend	trans	-78.9	125	176.5	-55.3	-83	0	0	0	111.8	C153 F160 D167 I169 P184 H186 D187 L188	C153-W155 HydrophobicContact CB-CE3 4.22Å; W155-F160 HydrophobicContact CB-CE2 4.03Å; W155-F160 HydrophobicContact CB-CZ 3.79Å; W155-F160 HydrophobicContact CD2-CE2 4.24Å; W155-F160 HydrophobicContact CD2-CZ 4.08Å; W155-F160 AromaticContact CE3-CE2 3.79Å; W155-F160 HydrophobicContact CE3-CE2 3.79Å; W155-F160 HydrophobicContact CE3-CZ 4.08Å; W155-F160 HydrophobicContact CG-CE2 4.37Å; W155-F160 AromaticContact CG-CZ 3.98Å; W155-F160 HydrophobicContact CG-CZ 3.98Å; W155-D167 VanDerWaalsContact CH2-C 3.4Å; W155-D167 VanDerWaalsContact CH2-CA 3.46Å; W155-D167 HydrophobicContact CH2-CB 4.28Å; W155-D167 WeakPolarHBondContact CH2-O 3.35Å; W155-D167 HydrophobicContact CZ2-CB 4.47Å; W155-I169 HydrophobicContact CE3-CD1 4.4Å; W155-I169 HydrophobicContact CH2-CD1 4.34Å; W155-I169 HydrophobicContact CH2-CG1 4.16Å; W155-I169 HydrophobicContact CZ3-CD1 3.76Å; W155-I169 HydrophobicContact CZ3-CG1 4.08Å; W155-P184 HydrophobicContact CD2-CB 3.98Å; W155-P184 HydrophobicContact CD2-CG 4.1Å; W155-P184 HydrophobicContact CE3-CG 4.33Å; W155-P184 HydrophobicContact CG-CB 4.22Å; W155-P184 HydrophobicContact CH2-CG 3.88Å; W155-P184 HydrophobicContact CZ2-CB 3.95Å; W155-P184 HydrophobicContact CZ2-CG 3.62Å; W155-P184 HydrophobicContact CZ3-CG 4.24Å; W155-H186 PolarHBondContact NE1-O 2.96Å; W155-D187 WeakPolarHBondContact CZ2-O 3.48Å; W155-L188 HydrophobicContact CH2-CD1 3.53Å; W155-L188 HydrophobicContact CZ2-CB 4.21Å; W155-L188 HydrophobicContact CZ2-CD1 3.95Å
156	P	75.6	Confident	84.3	Confident	105 Å²	105	77.6 Å²	77.6	68%	0.682	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	134.1	-179.8	28	-31.8	0	0	0	112.2	E158	P156-E158 PolarHBondContact O-N 3.37Å
157	N	64.9	Low	85	Confident	173 Å²	173	73.8 Å²	73.8	93%	0.925	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	24.1	164.4	-64.3	-27.1	0	0	0	117.8
158	E	66.9	Low	85.3	Confident	114 Å²	114	67.9 Å²	67.9	53%	0.533	36%	0.361	S	S	.	.			trans	-105.4	133.4	178.6	-65.5	-155.2	-163.9	0	0	113.4	P156 F160	P156-E158 PolarHBondContact O-N 3.37Å; E158-F160 HydrophobicContact CB-CD1 4.09Å; E158-F160 HydrophobicContact CB-CD2 4.34Å; E158-F160 HydrophobicContact CB-CE1 3.55Å; E158-F160 HydrophobicContact CB-CE2 3.81Å; E158-F160 HydrophobicContact CB-CG 4.48Å; E158-F160 HydrophobicContact CB-CZ 3.39Å; E158-F160 HydrophobicContact CG-CE1 4.24Å; E158-F160 HydrophobicContact CG-CZ 4.12Å; E158-F160 PolarHBondContact O-N 3.48Å; E158-F160 WeakPolarHBondContact OE2-CE1 3.46Å
159	N	81	Confident	85.6	Confident	139 Å²	139	65.5 Å²	65.5	74%	0.743	35%	0.349	S	S	*	.			trans	-97.3	80.7	174.2	-169.8	20.5	0	0	0	109
160	F	83.4	Confident	85.9	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.083	32%	0.319	C	S	.	.			trans	-67.8	154.6	178.7	-57.7	-58.9	0	0	0	111.8	W155 E158 C162 I169 R182 P184	W155-F160 HydrophobicContact CB-CE2 4.03Å; W155-F160 HydrophobicContact CB-CZ 3.79Å; W155-F160 HydrophobicContact CD2-CE2 4.24Å; W155-F160 HydrophobicContact CD2-CZ 4.08Å; W155-F160 AromaticContact CE3-CE2 3.79Å; W155-F160 HydrophobicContact CE3-CE2 3.79Å; W155-F160 HydrophobicContact CE3-CZ 4.08Å; W155-F160 HydrophobicContact CG-CE2 4.37Å; W155-F160 AromaticContact CG-CZ 3.98Å; W155-F160 HydrophobicContact CG-CZ 3.98Å; E158-F160 HydrophobicContact CB-CD1 4.09Å; E158-F160 HydrophobicContact CB-CD2 4.34Å; E158-F160 HydrophobicContact CB-CE1 3.55Å; E158-F160 HydrophobicContact CB-CE2 3.81Å; E158-F160 HydrophobicContact CB-CG 4.48Å; E158-F160 HydrophobicContact CB-CZ 3.39Å; E158-F160 HydrophobicContact CG-CE1 4.24Å; E158-F160 HydrophobicContact CG-CZ 4.12Å; E158-F160 PolarHBondContact O-N 3.48Å; E158-F160 WeakPolarHBondContact OE2-CE1 3.46Å; F160-C162 PolarHBondContact O-N 2.93Å; F160-I169 HydrophobicContact CD2-CD1 3.93Å; F160-I169 HydrophobicContact CE2-CD1 4.32Å; F160-I169 HydrophobicContact CG-CD1 4.25Å; F160-R182 WeakPolarHBondContact CD1-O 3.46Å; F160-P184 HydrophobicContact CE1-CB 3.88Å; F160-P184 HydrophobicContact CE1-CG 4.04Å; F160-P184 HydrophobicContact CZ-CB 3.92Å; F160-P184 HydrophobicContact CZ-CG 4.09Å
161	S	83.6	Confident	86.3	Confident	43 Å²	43	52.4 Å²	52.4	30%	0.301	29%	0.294	S	S	.	.	S	Bend	trans	-63.5	-24.9	175.3	46.3	0	0	0	0	113.2	E181	S161-E181 VanDerWaalsContact CB-O 3.24Å; S161-E181 WeakPolarHBondContact CB-O 3.45Å; S161-E181 PolarHBondContact OG-O 3.31Å
162	C	92.2	Very high	86.7	Confident	7 Å²	7	55 Å²	55	5%	0.047	29%	0.288	C	S	.	.	S	Bend	trans	-125	155.1	-179.1	-56.6	0	0	0	0	112.2	F160 I169 C171	F160-C162 PolarHBondContact O-N 2.93Å; C162-I169 HydrophobicContact CB-CG2 3.77Å; C162-C171 HydrophobicContact CB-CB 3.92Å; C162-C171 WeakPolarHBondContact CB-SG 3.46Å; C162-C171 VanDerWaalsContact SG-CA 3.5Å; C162-C171 WeakPolarHBondContact SG-CB 3.08Å; C162-C171 CovalentContact SG-SG 2.02Å; C162-C171 PolarHBondContact SG-SG 3.43Å
163	P	91	Very high	87	Confident	62 Å²	62	57.4 Å²	57.4	40%	0.403	30%	0.297	S	S	.	.			trans	-58.7	146.7	170.9	-21.9	32.2	0	0	0	112.5	I150 L170	I150-P163 HydrophobicContact CG2-CB 3.68Å; P163-L170 PolarHBondContact O-N 2.95Å
164	C	90.9	Very high	87.3	Confident	3 Å²	3	59 Å²	59	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	164.9	175.7	70.8	0	0	0	0	111.4	G151 C153 E168 I169	G151-C164 PolarHBondContact N-O 3.17Å; C153-C164 WeakPolarHBondContact CA-SG 3.49Å; C153-C164 HydrophobicContact CB-CB 3.81Å; C153-C164 WeakPolarHBondContact CB-SG 3.47Å; C153-C164 PolarHBondContact N-SG 3.41Å; C153-C164 WeakPolarHBondContact SG-CB 3.45Å; C153-C164 CovalentContact SG-SG 1.99Å; C153-C164 PolarHBondContact SG-SG 2.92Å; C164-E168 CarbonylContact C-O 3.25Å; C164-E168 VanDerWaalsContact CA-O 3.25Å; C164-E168 WeakPolarHBondContact CA-O 3.39Å; C164-I169 HydrophobicContact CB-CD1 3.82Å
165	R	90.6	Very high	87.5	Confident	47 Å²	47	61.5 Å²	61.5	18%	0.177	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	109.2	163.5	-175.5	-172.9	-71.2	-174.4	-8	108.9	H145 D146 L148 D167 E168 L170	H145-R165 HydrophobicContact CB-CG 4.07Å; H145-R165 WeakPolarHBondContact O-CD 3.48Å; D146-R165 IonicContact OD1-NH1 2.94Å; D146-R165 PolarHBondContact OD1-NH1 3.34Å; L148-R165 HydrophobicContact CB-CG 3.97Å; R165-D167 PolarHBondContact O-N 3.37Å; R165-E168 PolarHBondContact N-O 2.97Å; R165-E168 WeakPolarHBondContact O-CB 3.21Å; R165-E168 PolarHBondContact O-N 2.67Å; R165-L170 HydrophobicContact CB-CD1 4.19Å
166	G	90.8	Very high	87.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	64.8	-121.7	-172.4	0	0	0	0	0	111.6	E152 L154	E152-G166 PolarHBondContact O-N 2.95Å; L154-G166 PolarHBondContact N-O 3.37Å
167	D	91.1	Very high	88.8	Confident	24 Å²	24	61.5 Å²	61.5	13%	0.128	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	18.7	172.4	56.8	9.5	0	0	0	112.5	R144 H145 L154 W155 R165 A189	R144-D167 IonicContact NH1-OD2 3.12Å; H145-D167 IonicContact CD2-OD1 3.29Å; H145-D167 PolarHBondContact CD2-OD1 3.28Å; H145-D167 IonicContact NE2-OD1 3.5Å; H145-D167 PolarHBondContact NE2-OD1 3.08Å; H145-D167 IonicContact NE2-OD2 3.68Å; L154-D167 HydrophobicContact CD1-CB 3.96Å; W155-D167 VanDerWaalsContact CH2-C 3.4Å; W155-D167 VanDerWaalsContact CH2-CA 3.46Å; W155-D167 HydrophobicContact CH2-CB 4.28Å; W155-D167 WeakPolarHBondContact CH2-O 3.35Å; W155-D167 HydrophobicContact CZ2-CB 4.47Å; R165-D167 PolarHBondContact O-N 3.37Å; D167-A189 HydrophobicContact CB-CB 4.04Å; D167-A189 PolarHBondContact O-N 2.8Å; D167-A189 WeakPolarHBondContact OD1-CB 3.47Å; D167-A189 WeakPolarHBondContact OD2-CB 3.37Å
168	E	91.6	Very high	90.1	Very high	9 Å²	9	56.6 Å²	56.6	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	176.6	-50.6	177.2	179.3	0	0	110.7	H145 C164 R165 L170 T190	H145-E168 IonicContact CD2-OE1 3.73Å; C164-E168 CarbonylContact C-O 3.25Å; C164-E168 VanDerWaalsContact CA-O 3.25Å; C164-E168 WeakPolarHBondContact CA-O 3.39Å; R165-E168 PolarHBondContact N-O 2.97Å; R165-E168 WeakPolarHBondContact O-CB 3.21Å; R165-E168 PolarHBondContact O-N 2.67Å; E168-L170 HydrophobicContact CB-CD2 4.41Å; E168-T190 CarbonylContact C-O 3.35Å; E168-T190 WeakPolarHBondContact CA-O 3.42Å
169	I	93.6	Very high	91.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.9	171.4	-63.1	-68	0	0	0	109.3	W155 F160 C162 C164 L183 P184 L188 T190 L191 D192	W155-I169 HydrophobicContact CE3-CD1 4.4Å; W155-I169 HydrophobicContact CH2-CD1 4.34Å; W155-I169 HydrophobicContact CH2-CG1 4.16Å; W155-I169 HydrophobicContact CZ3-CD1 3.76Å; W155-I169 HydrophobicContact CZ3-CG1 4.08Å; F160-I169 HydrophobicContact CD2-CD1 3.93Å; F160-I169 HydrophobicContact CE2-CD1 4.32Å; F160-I169 HydrophobicContact CG-CD1 4.25Å; C162-I169 HydrophobicContact CB-CG2 3.77Å; C164-I169 HydrophobicContact CB-CD1 3.82Å; I169-L183 HydrophobicContact CG2-CD2 3.89Å; I169-P184 HydrophobicContact CD1-CG 4.38Å; I169-P184 HydrophobicContact CG1-CG 4.1Å; I169-L188 HydrophobicContact CB-CD1 4.08Å; I169-L188 HydrophobicContact CG1-CD1 3.54Å; I169-T190 PolarHBondContact N-O 3.22Å; I169-L191 HydrophobicContact CB-CD1 3.92Å; I169-L191 HydrophobicContact CG2-CD1 3.8Å; I169-D192 PolarHBondContact O-N 2.9Å
170	L	92.6	Very high	91.9	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	83.3	-170.2	-54.6	179	0	0	0	111.4	P163 R165 E168 R172 D192	P163-L170 PolarHBondContact O-N 2.95Å; R165-L170 HydrophobicContact CB-CD1 4.19Å; E168-L170 HydrophobicContact CB-CD2 4.41Å; L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 2.72Å; L170-D192 HydrophobicContact CD2-CB 3.97Å
171	C	94.7	Very high	92.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.			trans	-90.7	44.4	177.3	-62.8	0	0	0	0	112.9	C162 L176 P180 D192 L193 N196	C162-C171 HydrophobicContact CB-CB 3.92Å; C162-C171 WeakPolarHBondContact CB-SG 3.46Å; C162-C171 VanDerWaalsContact SG-CA 3.5Å; C162-C171 WeakPolarHBondContact SG-CB 3.08Å; C162-C171 CovalentContact SG-SG 2.02Å; C162-C171 PolarHBondContact SG-SG 3.43Å; C171-L176 HydrophobicContact CB-CD1 4.18Å; C171-P180 VanDerWaalsContact SG-CG 3.59Å; C171-D192 CarbonylContact C-O 3.42Å; C171-D192 VanDerWaalsContact CA-O 3.28Å; C171-D192 WeakPolarHBondContact CA-O 3.37Å; C171-D192 WeakPolarHBondContact CB-O 3.32Å; C171-D192 PolarHBondContact N-O 2.84Å; C171-L193 HydrophobicContact CB-CD2 3.56Å; C171-N196 PolarHBondContact O-ND2 3.37Å
172	R	93.9	Very high	92.3	Very high	105 Å²	105	58.9 Å²	58.9	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	137.7	-171.6	-57	-177.2	174.1	160.7	1.3	112.8	L170 Q174 D192 T194	L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 2.72Å; R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 2.94Å; R172-D192 IonicContact CZ-OD2 2.71Å; R172-D192 VanDerWaalsContact NE-CG 3.25Å; R172-D192 IonicContact NE-OD1 2.78Å; R172-D192 IonicContact NE-OD2 2.81Å; R172-D192 PolarHBondContact NE-OD2 3.32Å; R172-D192 IonicContact NH2-OD2 3.56Å; R172-D192 PolarHBondContact NH2-OD2 3.47Å; R172-T194 CarbonylContact C-O 3.03Å; R172-T194 WeakPolarHBondContact CA-O 3.37Å
173	F	95.3	Very high	92.2	Very high	144 Å²	144	59.1 Å²	59.1	63%	0.632	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37	171	-54	-81.4	0	0	0	115.5	T194	F173-T194 HydrophobicContact CE2-CG2 4.32Å; F173-T194 HydrophobicContact CZ-CG2 4.05Å; F173-T194 PolarHBondContact N-O 2.74Å
174	Q	94.2	Very high	92.1	Very high	77 Å²	77	56.4 Å²	56.4	36%	0.36	26%	0.262	S	S	.	.	S	Bend	trans	-95.1	7.1	-178.9	-66.7	-172	13.2	0	0	113.5	R172 L176 N196	R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 2.94Å; Q174-L176 HydrophobicContact CB-CD1 4.26Å; Q174-L176 HydrophobicContact CB-CD2 4.17Å; Q174-L176 HydrophobicContact CB-CG 3.83Å; Q174-L176 PolarHBondContact O-N 2.91Å; Q174-N196 PolarHBondContact N-OD1 3Å
175	Q	93.5	Very high	91.7	Very high	168 Å²	168	61.7 Å²	61.7	79%	0.785	29%	0.287	S	S	*	.			trans	57.6	30.5	-175.5	-54.8	-176.5	-31.5	0	0	113	N196	Q175-N196 PolarHBondContact N-OD1 3.45Å
176	L	94.9	Very high	91.4	Very high	36 Å²	36	65.3 Å²	65.3	19%	0.188	31%	0.306	C	S	.	.			trans	-66.1	141.7	178.4	-57.8	173.1	0	0	0	110.4	C171 Q174 P180 L193 N196 N197 F198	C171-L176 HydrophobicContact CB-CD1 4.18Å; Q174-L176 HydrophobicContact CB-CD1 4.26Å; Q174-L176 HydrophobicContact CB-CD2 4.17Å; Q174-L176 HydrophobicContact CB-CG 3.83Å; Q174-L176 PolarHBondContact O-N 2.91Å; L176-P180 HydrophobicContact CD1-CB 4.23Å; L176-P180 HydrophobicContact CD1-CG 4.08Å; L176-L193 HydrophobicContact CD1-CD2 4.19Å; L176-N196 HydrophobicContact CB-CB 4.08Å; L176-N196 PolarHBondContact N-OD1 3.13Å; L176-N196 VanDerWaalsContact N-OD1 3.1Å; L176-N197 CarbonylContact O-C 3.43Å; L176-N197 PolarHBondContact O-N 3.14Å; L176-F198 HydrophobicContact CB-CE1 3.99Å; L176-F198 HydrophobicContact CB-CZ 4.45Å
177	T	93.4	Very high	91.2	Very high	104 Å²	104	72.1 Å²	72.1	64%	0.638	34%	0.342	S	S	*	.	S	Bend	trans	-106.5	-8.8	173	57	0	0	0	0	112.4	F198	T177-F198 VanDerWaalsContact C-CD1 3.48Å
178	D	93.4	Very high	91.3	Very high	69 Å²	69	71.1 Å²	71.1	37%	0.369	34%	0.336	S	S	.	.	S	Bend	trans	-148.4	171.3	176.9	-145.3	-27.4	0	0	0	110.9	H202 F205	D178-H202 IonicContact OD2-CE1 3.63Å; D178-F205 WeakPolarHBondContact OD1-CD2 3.3Å
179	I	93.3	Very high	91.3	Very high	18 Å²	18	71 Å²	71	9%	0.092	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-61.9	130.7	174.1	-58.1	-177.3	0	0	0	109	L183 F205 F206 L209	I179-L183 HydrophobicContact CG2-CD1 3.86Å; I179-F205 HydrophobicContact CD1-CD1 4.03Å; I179-F205 HydrophobicContact CD1-CE1 3.9Å; I179-F205 WeakPolarHBondContact CD1-O 3.31Å; I179-F205 HydrophobicContact CG1-CD1 4.12Å; I179-F205 HydrophobicContact CG1-CE1 3.64Å; I179-F205 HydrophobicContact CG1-CZ 3.87Å; I179-F206 HydrophobicContact CD1-CD1 3.86Å; I179-F206 HydrophobicContact CD1-CE1 4.46Å; I179-L209 HydrophobicContact CD1-CB 3.95Å; I179-L209 HydrophobicContact CD1-CD1 3.75Å; I179-L209 HydrophobicContact CD1-CG 4.43Å
180	P	91.7	Very high	91.3	Very high	16 Å²	16	71.7 Å²	71.7	10%	0.104	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-71.7	143.9	-176.6	28.5	-32.9	0	0	0	111.7	C171 L176 L183 L193	C171-P180 VanDerWaalsContact SG-CG 3.59Å; L176-P180 HydrophobicContact CD1-CB 4.23Å; L176-P180 HydrophobicContact CD1-CG 4.08Å; P180-L183 HydrophobicContact CG-CD1 4.3Å; P180-L183 HydrophobicContact CG-CD2 4.31Å; P180-L183 WeakPolarHBondContact O-CD1 3.39Å; P180-L183 WeakPolarHBondContact O-CG 3.19Å; P180-L193 HydrophobicContact CG-CD2 4.24Å
181	E	87.5	Confident	91.4	Very high	161 Å²	161	70.8 Å²	70.8	75%	0.752	34%	0.337	S	S	*	.	S	Bend	trans	-70.9	164	175	-63	179.1	-176.6	0	0	112.1	S161	S161-E181 VanDerWaalsContact CB-O 3.24Å; S161-E181 WeakPolarHBondContact CB-O 3.45Å; S161-E181 PolarHBondContact OG-O 3.31Å
182	R	87.2	Confident	91.3	Very high	169 Å²	169	70.9 Å²	70.9	64%	0.638	34%	0.337	S	S	*	.	S	Bend	trans	59.5	59	178.2	-60.9	178.5	-76.3	166.5	-3.3	112.5	F160	F160-R182 WeakPolarHBondContact CD1-O 3.46Å
183	L	90.7	Very high	91.5	Very high	11 Å²	11	66 Å²	66	6%	0.058	32%	0.319	C	S	.	.			trans	-101.3	150.5	169.3	-66.1	175.3	0	0	0	110.5	I169 I179 P180 Q185 L191 P210	I169-L183 HydrophobicContact CG2-CD2 3.89Å; I179-L183 HydrophobicContact CG2-CD1 3.86Å; P180-L183 HydrophobicContact CG-CD1 4.3Å; P180-L183 HydrophobicContact CG-CD2 4.31Å; P180-L183 WeakPolarHBondContact O-CD1 3.39Å; P180-L183 WeakPolarHBondContact O-CG 3.19Å; L183-Q185 PolarHBondContact O-N 3.5Å; L183-Q185 PolarHBondContact O-NE2 3.47Å; L183-L191 HydrophobicContact CD1-CD1 4.2Å; L183-L191 HydrophobicContact CD1-CD2 3.91Å; L183-L191 HydrophobicContact CD2-CD1 4.16Å; L183-P210 HydrophobicContact CB-CG 4.13Å; L183-P210 HydrophobicContact CD1-CG 4.34Å
184	P	88.8	Confident	91.5	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.032	29%	0.293	C	S	.	.			trans	-62.6	132.6	174.6	26.6	-31.8	0	0	0	109.7	W155 F160 I169 L188 P210	W155-P184 HydrophobicContact CD2-CB 3.98Å; W155-P184 HydrophobicContact CD2-CG 4.1Å; W155-P184 HydrophobicContact CE3-CG 4.33Å; W155-P184 HydrophobicContact CG-CB 4.22Å; W155-P184 HydrophobicContact CH2-CG 3.88Å; W155-P184 HydrophobicContact CZ2-CB 3.95Å; W155-P184 HydrophobicContact CZ2-CG 3.62Å; W155-P184 HydrophobicContact CZ3-CG 4.24Å; F160-P184 HydrophobicContact CE1-CB 3.88Å; F160-P184 HydrophobicContact CE1-CG 4.04Å; F160-P184 HydrophobicContact CZ-CB 3.92Å; F160-P184 HydrophobicContact CZ-CG 4.09Å; I169-P184 HydrophobicContact CD1-CG 4.38Å; I169-P184 HydrophobicContact CG1-CG 4.1Å; P184-L188 HydrophobicContact CG-CD1 4.18Å; P184-L188 HydrophobicContact CG-CD2 4.45Å; P184-P210 WeakPolarHBondContact O-CB 3.07Å
185	Q	83.5	Confident	91.6	Very high	115 Å²	115	56.9 Å²	56.9	54%	0.537	28%	0.283	S	S	.	.	S	Bend	trans	-79.3	-22	-174	-65.3	-62.2	-52.4	0	0	113.7	L183	L183-Q185 PolarHBondContact O-N 3.5Å; L183-Q185 PolarHBondContact O-NE2 3.47Å
186	H	84.2	Confident	91.8	Very high	123 Å²	123	49.1 Å²	49.1	57%	0.569	25%	0.247	S	C	*	.	S	Bend	trans	-138.5	162.4	-176.6	-56.3	-57.4	0	0	0	111.4	W155 L188 D211	W155-H186 PolarHBondContact NE1-O 2.96Å; H186-L188 PolarHBondContact O-N 3.48Å; H186-D211 IonicContact ND1-OD2 2.87Å
187	D	87	Confident	91.9	Very high	142 Å²	142	50.2 Å²	50.2	76%	0.759	25%	0.253	S	S	*	.	S	Bend	trans	58.7	26.8	178.3	-56.1	-40.1	0	0	0	114.5	W155	W155-D187 WeakPolarHBondContact CZ2-O 3.48Å
188	L	91.8	Very high	92	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	176.6	-177.4	59.9	0	0	0	110.5	W155 I169 P184 H186 T190 L191 P210 V212 D213	W155-L188 HydrophobicContact CH2-CD1 3.53Å; W155-L188 HydrophobicContact CZ2-CB 4.21Å; W155-L188 HydrophobicContact CZ2-CD1 3.95Å; I169-L188 HydrophobicContact CB-CD1 4.08Å; I169-L188 HydrophobicContact CG1-CD1 3.54Å; P184-L188 HydrophobicContact CG-CD1 4.18Å; P184-L188 HydrophobicContact CG-CD2 4.45Å; H186-L188 PolarHBondContact O-N 3.48Å; L188-T190 WeakPolarHBondContact CD1-O 3.38Å; L188-L191 HydrophobicContact CD2-CB 4.07Å; L188-P210 HydrophobicContact CD2-CG 3.7Å; L188-V212 HydrophobicContact CD2-CB 4.29Å; L188-V212 HydrophobicContact CD2-CG2 4.16Å; L188-V212 HydrophobicContact CG-CB 4.36Å; L188-V212 HydrophobicContact CG-CG2 3.95Å; L188-V212 VanDerWaalsContact O-CA 3.3Å; L188-V212 WeakPolarHBondContact O-CA 3.31Å; L188-D213 PolarHBondContact O-N 3Å
189	A	92.2	Very high	92.1	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-43.8	179.5	0	0	0	0	0	111.8	D167 D213 S214	D167-A189 HydrophobicContact CB-CB 4.04Å; D167-A189 PolarHBondContact O-N 2.8Å; D167-A189 WeakPolarHBondContact OD1-CB 3.47Å; D167-A189 WeakPolarHBondContact OD2-CB 3.37Å; A189-D213 WeakPolarHBondContact O-CB 3.46Å; A189-S214 PolarHBondContact O-N 3.47Å
190	T	92.8	Very high	92.2	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.08	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.9	-179.1	-58.6	0	0	0	0	111.8	F142 E168 I169 L188 D192 S214 V216	F142-T190 HydrophobicContact CD1-CG2 4.32Å; F142-T190 HydrophobicContact CE1-CG2 3.88Å; E168-T190 CarbonylContact C-O 3.35Å; E168-T190 WeakPolarHBondContact CA-O 3.42Å; I169-T190 PolarHBondContact N-O 3.22Å; L188-T190 WeakPolarHBondContact CD1-O 3.38Å; T190-D192 HydrophobicContact CG2-CB 4.44Å; T190-S214 CarbonylContact C-O 3.1Å; T190-S214 VanDerWaalsContact CA-O 3.29Å; T190-S214 WeakPolarHBondContact CA-O 3.48Å; T190-V216 HydrophobicContact CG2-CG2 3.84Å
191	L	94.8	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.7	163.6	-178.5	60.3	0	0	0	109.4	I169 L183 L188 L193 L209 V212 S214 L215 V216	I169-L191 HydrophobicContact CB-CD1 3.92Å; I169-L191 HydrophobicContact CG2-CD1 3.8Å; L183-L191 HydrophobicContact CD1-CD1 4.2Å; L183-L191 HydrophobicContact CD1-CD2 3.91Å; L183-L191 HydrophobicContact CD2-CD1 4.16Å; L188-L191 HydrophobicContact CD2-CB 4.07Å; L191-L193 HydrophobicContact CD2-CD1 4.06Å; L191-L193 HydrophobicContact CD2-CG 4.42Å; L191-L193 HydrophobicContact CG-CD1 4.24Å; L191-L193 HydrophobicContact CG-CG 4.13Å; L191-L209 HydrophobicContact CD2-CD1 3.6Å; L191-V212 HydrophobicContact CB-CG2 4.1Å; L191-S214 PolarHBondContact N-O 2.77Å; L191-L215 HydrophobicContact CB-CD1 4.03Å; L191-L215 HydrophobicContact CD2-CD1 3.97Å; L191-L215 HydrophobicContact CG-CD1 4.14Å; L191-V216 PolarHBondContact O-N 3.03Å
192	D	94.1	Very high	92.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109	-178.8	-166.7	-29.2	0	0	0	112.6	I169 L170 C171 R172 T190 T194 V216	I169-D192 PolarHBondContact O-N 2.9Å; L170-D192 HydrophobicContact CD2-CB 3.97Å; C171-D192 CarbonylContact C-O 3.42Å; C171-D192 VanDerWaalsContact CA-O 3.28Å; C171-D192 WeakPolarHBondContact CA-O 3.37Å; C171-D192 WeakPolarHBondContact CB-O 3.32Å; C171-D192 PolarHBondContact N-O 2.84Å; R172-D192 IonicContact CZ-OD2 2.71Å; R172-D192 VanDerWaalsContact NE-CG 3.25Å; R172-D192 IonicContact NE-OD1 2.78Å; R172-D192 IonicContact NE-OD2 2.81Å; R172-D192 PolarHBondContact NE-OD2 3.32Å; R172-D192 IonicContact NH2-OD2 3.56Å; R172-D192 PolarHBondContact NH2-OD2 3.47Å; T190-D192 HydrophobicContact CG2-CB 4.44Å; D192-T194 WeakPolarHBondContact OD1-CB 3.5Å; D192-T194 PolarHBondContact OD1-N 3.3Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å; D192-V216 HydrophobicContact CB-CB 4.19Å; D192-V216 HydrophobicContact CB-CG2 4.09Å
193	L	96.8	Very high	92.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.211	C	C	.	.			trans	-108.6	23.7	179.7	-63.3	162.2	0	0	0	111.7	C171 L176 P180 L191 G195 N196 F198 L215 V216 L217 C220	C171-L193 HydrophobicContact CB-CD2 3.56Å; L176-L193 HydrophobicContact CD1-CD2 4.19Å; P180-L193 HydrophobicContact CG-CD2 4.24Å; L191-L193 HydrophobicContact CD2-CD1 4.06Å; L191-L193 HydrophobicContact CD2-CG 4.42Å; L191-L193 HydrophobicContact CG-CD1 4.24Å; L191-L193 HydrophobicContact CG-CG 4.13Å; L193-G195 PolarHBondContact O-N 3.47Å; L193-N196 VanDerWaalsContact C-ND2 3.33Å; L193-N196 PolarHBondContact O-ND2 2.99Å; L193-F198 HydrophobicContact CB-CE2 3.93Å; L193-F198 HydrophobicContact CB-CZ 4.03Å; L193-F198 HydrophobicContact CD1-CE2 4.28Å; L193-F198 HydrophobicContact CD1-CZ 4.14Å; L193-F198 HydrophobicContact CD2-CZ 4.25Å; L193-F198 HydrophobicContact CG-CZ 4.38Å; L193-L215 HydrophobicContact CD1-CD1 4.07Å; L193-V216 CarbonylContact C-O 3.37Å; L193-V216 WeakPolarHBondContact CA-O 3.39Å; L193-V216 WeakPolarHBondContact CB-O 3.41Å; L193-V216 PolarHBondContact N-O 3.44Å; L193-L217 HydrophobicContact CB-CD2 4.08Å; L193-L217 HydrophobicContact CD1-CD2 3.73Å; L193-C220 PolarHBondContact O-SG 3.49Å
194	T	95.7	Very high	92.9	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.086	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.6	-176	-63.6	0	0	0	0	112.4	R172 F173 D192 V216 K218 F219	R172-T194 CarbonylContact C-O 3.03Å; R172-T194 WeakPolarHBondContact CA-O 3.37Å; F173-T194 HydrophobicContact CE2-CG2 4.32Å; F173-T194 HydrophobicContact CZ-CG2 4.05Å; F173-T194 PolarHBondContact N-O 2.74Å; D192-T194 WeakPolarHBondContact OD1-CB 3.5Å; D192-T194 PolarHBondContact OD1-N 3.3Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å; T194-V216 WeakPolarHBondContact OG1-CG1 3.39Å; T194-K218 CarbonylContact C-O 3.37Å; T194-K218 VanDerWaalsContact CA-O 3.31Å; T194-K218 WeakPolarHBondContact CA-O 3.49Å; T194-K218 HydrophobicContact CG2-CB 3.97Å; T194-F219 HydrophobicContact CG2-CD2 4.1Å
195	G	96.9	Very high	93.2	Very high	16 Å²	16	44.8 Å²	44.8	17%	0.165	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	18.2	170.3	0	0	0	0	0	115.2	L193 K218	L193-G195 PolarHBondContact O-N 3.47Å; G195-K218 PolarHBondContact N-O 2.89Å
196	N	98.1	Very high	93.7	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	21%	0.208	C	C	.	.			trans	-83.1	-177.7	171	-72.1	-53.5	0	0	0	111.7	C171 Q174 Q175 L176 L193 F198 C220	C171-N196 PolarHBondContact O-ND2 3.37Å; Q174-N196 PolarHBondContact N-OD1 3Å; Q175-N196 PolarHBondContact N-OD1 3.45Å; L176-N196 HydrophobicContact CB-CB 4.08Å; L176-N196 PolarHBondContact N-OD1 3.13Å; L176-N196 VanDerWaalsContact N-OD1 3.1Å; L193-N196 VanDerWaalsContact C-ND2 3.33Å; L193-N196 PolarHBondContact O-ND2 2.99Å; N196-F198 HydrophobicContact CB-CE1 4.12Å; N196-F198 HydrophobicContact CB-CE2 4Å; N196-F198 HydrophobicContact CB-CZ 3.76Å; N196-C220 CarbonylContact O-C 3.01Å; N196-C220 WeakPolarHBondContact O-CA 3.27Å
197	N	96.2	Very high	93.9	Very high	59 Å²	59	36.1 Å²	36.1	32%	0.316	20%	0.199	S	C	.	.			trans	-126.6	67.7	-175.5	-169.7	50.9	0	0	0	111.3	L176 E199	L176-N197 CarbonylContact O-C 3.43Å; L176-N197 PolarHBondContact O-N 3.14Å; N197-E199 PolarHBondContact ND2-OE1 2.84Å; N197-E199 WeakPolarHBondContact OD1-CG 3.2Å
198	F	96.5	Very high	93.8	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.048	20%	0.197	C	C	.	.			trans	-74.7	-32	-178.5	-60.4	-46.1	0	0	0	112.7	L176 T177 L193 N196 T200 F205 L217 C220 I222	L176-F198 HydrophobicContact CB-CE1 3.99Å; L176-F198 HydrophobicContact CB-CZ 4.45Å; T177-F198 VanDerWaalsContact C-CD1 3.48Å; L193-F198 HydrophobicContact CB-CE2 3.93Å; L193-F198 HydrophobicContact CB-CZ 4.03Å; L193-F198 HydrophobicContact CD1-CE2 4.28Å; L193-F198 HydrophobicContact CD1-CZ 4.14Å; L193-F198 HydrophobicContact CD2-CZ 4.25Å; L193-F198 HydrophobicContact CG-CZ 4.38Å; N196-F198 HydrophobicContact CB-CE1 4.12Å; N196-F198 HydrophobicContact CB-CE2 4Å; N196-F198 HydrophobicContact CB-CZ 3.76Å; F198-T200 PolarHBondContact O-N 3.06Å; F198-F205 HydrophobicContact CB-CE2 4.29Å; F198-F205 HydrophobicContact CB-CZ 4.44Å; F198-F205 AromaticContact CD1-CE2 3.7Å; F198-F205 HydrophobicContact CD1-CE2 3.7Å; F198-F205 AromaticContact CD1-CZ 3.74Å; F198-F205 HydrophobicContact CD1-CZ 3.74Å; F198-F205 AromaticContact CD2-CZ 3.97Å; F198-F205 HydrophobicContact CD2-CZ 3.97Å; F198-F205 HydrophobicContact CE1-CE2 4.17Å; F198-F205 AromaticContact CE1-CZ 3.91Å; F198-F205 HydrophobicContact CE1-CZ 3.91Å; F198-F205 HydrophobicContact CE2-CZ 4.13Å; F198-F205 AromaticContact CG-CE2 3.95Å; F198-F205 HydrophobicContact CG-CE2 3.95Å; F198-F205 AromaticContact CG-CZ 3.79Å; F198-F205 HydrophobicContact CG-CZ 3.79Å; F198-F205 HydrophobicContact CZ-CZ 4.11Å; F198-L217 HydrophobicContact CD2-CD2 4.03Å; F198-L217 HydrophobicContact CE2-CD2 3.6Å; F198-C220 HydrophobicContact CD2-CB 3.71Å; F198-C220 HydrophobicContact CE2-CB 4.33Å; F198-C220 PolarHBondContact N-O 3.35Å; F198-I222 HydrophobicContact CB-CG1 4.25Å
199	E	94.5	Very high	93.9	Very high	87 Å²	87	37.5 Å²	37.5	41%	0.407	20%	0.201	S	C	.	.			trans	58.7	-53.6	-178.6	-59.9	-170.9	-169.4	0	0	115.6	N197 I222 R223	N197-E199 PolarHBondContact ND2-OE1 2.84Å; N197-E199 WeakPolarHBondContact OD1-CG 3.2Å; E199-I222 CarbonylContact O-C 3.52Å; E199-I222 WeakPolarHBondContact O-CA 3.46Å; E199-R223 PolarHBondContact O-N 3.46Å
200	T	95.7	Very high	93.8	Very high	58 Å²	58	37.2 Å²	37.2	36%	0.356	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.6	176.6	-60.5	0	0	0	0	110.1	F198 H202 E224	F198-T200 PolarHBondContact O-N 3.06Å; T200-H202 PolarHBondContact O-N 3.34Å; T200-E224 WeakPolarHBondContact CA-O 3.43Å; T200-E224 HydrophobicContact CG2-CB 4.1Å; T200-E224 HydrophobicContact CG2-CG 4.33Å
201	I	96.2	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	106	169.6	-62.7	-178.3	0	0	0	107.5	F205 F206 L217 I222 E224 I225 A226 A229 M243	I201-F205 HydrophobicContact CG2-CB 3.85Å; I201-F205 HydrophobicContact CG2-CD1 3.97Å; I201-F205 HydrophobicContact CG2-CG 3.97Å; I201-F206 HydrophobicContact CD1-CE2 4.47Å; I201-F206 HydrophobicContact CD1-CZ 4.08Å; I201-F206 HydrophobicContact CG2-CD2 4.35Å; I201-F206 HydrophobicContact CG2-CE2 3.66Å; I201-F206 HydrophobicContact CG2-CZ 4.11Å; I201-L217 HydrophobicContact CD1-CD1 4.16Å; I201-I222 HydrophobicContact CD1-CD1 3.91Å; I201-I222 HydrophobicContact CD1-CG2 4.35Å; I201-I222 HydrophobicContact CG1-CD1 4.28Å; I201-I222 HydrophobicContact CG1-CG2 4.11Å; I201-E224 PolarHBondContact N-O 3.49Å; I201-I225 HydrophobicContact CB-CB 4.41Å; I201-I225 HydrophobicContact CB-CG1 4.29Å; I201-I225 HydrophobicContact CB-CG2 4.09Å; I201-I225 HydrophobicContact CD1-CG1 4.25Å; I201-I225 HydrophobicContact CG2-CG2 4.16Å; I201-A226 WeakPolarHBondContact O-CB 3.33Å; I201-A226 PolarHBondContact O-N 3.27Å; I201-A229 HydrophobicContact CG2-CB 3.98Å; I201-M243 HydrophobicContact CD1-CE 3.9Å
202	H	94	Very high	93.8	Very high	67 Å²	67	40 Å²	40	31%	0.31	21%	0.212	S	C	.	.			trans	-83.4	166	-179.9	62.8	-87.7	0	0	0	111.6	D178 T200 T204 F205	D178-H202 IonicContact OD2-CE1 3.63Å; T200-H202 PolarHBondContact O-N 3.34Å; H202-T204 PolarHBondContact CD2-OG1 3.47Å; H202-T204 PolarHBondContact NE2-OG1 2.9Å; H202-T204 PolarHBondContact O-N 2.68Å; H202-T204 VanDerWaalsContact O-N 3.11Å; H202-F205 PolarHBondContact CD2-N 3.05Å; H202-F205 AromaticContact CE1-CD2 3.69Å; H202-F205 AromaticContact ND1-CD2 3.82Å; H202-F205 WeakPolarHBondContact NE2-CA 3.46Å; H202-F205 PolarHBondContact NE2-N 3.07Å; H202-F205 VanDerWaalsContact O-CB 3.24Å; H202-F205 WeakPolarHBondContact O-CB 3.29Å; H202-F205 PolarHBondContact O-N 3.42Å
203	E	91	Very high	93.8	Very high	127 Å²	127	43 Å²	43	59%	0.593	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.4	-172.2	-65.3	-177.4	177.3	0	0	114.3	A226	E203-A226 HydrophobicContact CG-CB 3.77Å
204	T	90.8	Very high	93.7	Very high	86 Å²	86	43.6 Å²	43.6	53%	0.528	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.4	-179.2	56.5	0	0	0	0	114.2	H202 F206 S207	H202-T204 PolarHBondContact CD2-OG1 3.47Å; H202-T204 PolarHBondContact NE2-OG1 2.9Å; H202-T204 PolarHBondContact O-N 2.68Å; H202-T204 VanDerWaalsContact O-N 3.11Å; T204-F206 VanDerWaalsContact C-N 3.28Å; T204-F206 PolarHBondContact O-N 2.97Å; T204-S207 WeakPolarHBondContact CA-OG 3.26Å; T204-S207 WeakPolarHBondContact CB-OG 3.21Å; T204-S207 VanDerWaalsContact O-CB 3.27Å; T204-S207 WeakPolarHBondContact O-CB 3.17Å; T204-S207 PolarHBondContact O-N 3.25Å; T204-S207 PolarHBondContact O-OG 3.42Å
205	F	94.6	Very high	93.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.018	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40	-172.5	-177.3	-90.8	0	0	0	112.6	D178 I179 F198 I201 H202 S207	D178-F205 WeakPolarHBondContact OD1-CD2 3.3Å; I179-F205 HydrophobicContact CD1-CD1 4.03Å; I179-F205 HydrophobicContact CD1-CE1 3.9Å; I179-F205 WeakPolarHBondContact CD1-O 3.31Å; I179-F205 HydrophobicContact CG1-CD1 4.12Å; I179-F205 HydrophobicContact CG1-CE1 3.64Å; I179-F205 HydrophobicContact CG1-CZ 3.87Å; F198-F205 HydrophobicContact CB-CE2 4.29Å; F198-F205 HydrophobicContact CB-CZ 4.44Å; F198-F205 AromaticContact CD1-CE2 3.7Å; F198-F205 HydrophobicContact CD1-CE2 3.7Å; F198-F205 AromaticContact CD1-CZ 3.74Å; F198-F205 HydrophobicContact CD1-CZ 3.74Å; F198-F205 AromaticContact CD2-CZ 3.97Å; F198-F205 HydrophobicContact CD2-CZ 3.97Å; F198-F205 HydrophobicContact CE1-CE2 4.17Å; F198-F205 AromaticContact CE1-CZ 3.91Å; F198-F205 HydrophobicContact CE1-CZ 3.91Å; F198-F205 HydrophobicContact CE2-CZ 4.13Å; F198-F205 AromaticContact CG-CE2 3.95Å; F198-F205 HydrophobicContact CG-CE2 3.95Å; F198-F205 AromaticContact CG-CZ 3.79Å; F198-F205 HydrophobicContact CG-CZ 3.79Å; F198-F205 HydrophobicContact CZ-CZ 4.11Å; I201-F205 HydrophobicContact CG2-CB 3.85Å; I201-F205 HydrophobicContact CG2-CD1 3.97Å; I201-F205 HydrophobicContact CG2-CG 3.97Å; H202-F205 PolarHBondContact CD2-N 3.05Å; H202-F205 AromaticContact CE1-CD2 3.69Å; H202-F205 AromaticContact ND1-CD2 3.82Å; H202-F205 WeakPolarHBondContact NE2-CA 3.46Å; H202-F205 PolarHBondContact NE2-N 3.07Å; H202-F205 VanDerWaalsContact O-CB 3.24Å; H202-F205 WeakPolarHBondContact O-CB 3.29Å; H202-F205 PolarHBondContact O-N 3.42Å; F205-S207 PolarHBondContact O-N 3.24Å
206	F	94.2	Very high	93.6	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	11.6	179.9	-61.2	-62.3	0	0	0	114.4	I179 I201 T204 E208 L209 L215 L217 A229 F230 L233	I179-F206 HydrophobicContact CD1-CD1 3.86Å; I179-F206 HydrophobicContact CD1-CE1 4.46Å; I201-F206 HydrophobicContact CD1-CE2 4.47Å; I201-F206 HydrophobicContact CD1-CZ 4.08Å; I201-F206 HydrophobicContact CG2-CD2 4.35Å; I201-F206 HydrophobicContact CG2-CE2 3.66Å; I201-F206 HydrophobicContact CG2-CZ 4.11Å; T204-F206 VanDerWaalsContact C-N 3.28Å; T204-F206 PolarHBondContact O-N 2.97Å; F206-E208 VanDerWaalsContact C-N 3.26Å; F206-E208 PolarHBondContact O-N 3.42Å; F206-L209 HydrophobicContact CB-CB 4.33Å; F206-L209 HydrophobicContact CD1-CB 4.39Å; F206-L209 HydrophobicContact CD1-CD2 4.06Å; F206-L209 PolarHBondContact O-N 2.9Å; F206-L215 HydrophobicContact CD1-CD2 4.46Å; F206-L215 HydrophobicContact CE1-CD2 3.76Å; F206-L215 HydrophobicContact CZ-CD2 4.43Å; F206-L217 HydrophobicContact CE1-CD1 4.32Å; F206-L217 HydrophobicContact CZ-CD1 4.11Å; F206-A229 WeakPolarHBondContact CD2-O 3.5Å; F206-F230 HydrophobicContact CD2-CG 4.46Å; F206-F230 HydrophobicContact CE2-CD1 4.06Å; F206-F230 AromaticContact CE2-CD2 3.93Å; F206-F230 HydrophobicContact CE2-CD2 3.93Å; F206-F230 AromaticContact CE2-CE1 3.71Å; F206-F230 HydrophobicContact CE2-CE1 3.71Å; F206-F230 AromaticContact CE2-CE2 3.58Å; F206-F230 HydrophobicContact CE2-CE2 3.58Å; F206-F230 HydrophobicContact CE2-CG 4.14Å; F206-F230 AromaticContact CE2-CZ 3.46Å; F206-F230 HydrophobicContact CE2-CZ 3.46Å; F206-F230 VanDerWaalsContact CE2-CZ 3.46Å; F206-F230 AromaticContact CZ-CE1 3.95Å; F206-F230 HydrophobicContact CZ-CE1 3.95Å; F206-F230 HydrophobicContact CZ-CE2 4.24Å; F206-F230 AromaticContact CZ-CZ 3.71Å; F206-F230 HydrophobicContact CZ-CZ 3.71Å; F206-L233 HydrophobicContact CB-CD1 4.39Å; F206-L233 HydrophobicContact CB-CD2 4.15Å; F206-L233 HydrophobicContact CB-CG 4.2Å; F206-L233 HydrophobicContact CD1-CD1 4.34Å; F206-L233 HydrophobicContact CD2-CD1 4.13Å; F206-L233 HydrophobicContact CG-CD1 4.04Å; F206-L233 HydrophobicContact CG-CG 4.38Å
207	S	88.5	Confident	93.6	Very high	52 Å²	52	41.9 Å²	41.9	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.3	-175.4	-54	0	0	0	0	113.2	T204 F205	T204-S207 WeakPolarHBondContact CA-OG 3.26Å; T204-S207 WeakPolarHBondContact CB-OG 3.21Å; T204-S207 VanDerWaalsContact O-CB 3.27Å; T204-S207 WeakPolarHBondContact O-CB 3.17Å; T204-S207 PolarHBondContact O-N 3.25Å; T204-S207 PolarHBondContact O-OG 3.42Å; F205-S207 PolarHBondContact O-N 3.24Å
208	E	85.2	Confident	93.5	Very high	156 Å²	156	40.1 Å²	40.1	73%	0.729	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	12.5	-179.5	-56.3	-62.6	141.2	0	0	112.1	F206 P210	F206-E208 VanDerWaalsContact C-N 3.26Å; F206-E208 PolarHBondContact O-N 3.42Å; E208-P210 WeakPolarHBondContact O-CD 3.29Å
209	L	93	Very high	93.5	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.089	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-72.5	124.5	177.8	-171.3	79.2	0	0	0	109.4	I179 L191 F206 V212 L215 L233	I179-L209 HydrophobicContact CD1-CB 3.95Å; I179-L209 HydrophobicContact CD1-CD1 3.75Å; I179-L209 HydrophobicContact CD1-CG 4.43Å; L191-L209 HydrophobicContact CD2-CD1 3.6Å; F206-L209 HydrophobicContact CB-CB 4.33Å; F206-L209 HydrophobicContact CD1-CB 4.39Å; F206-L209 HydrophobicContact CD1-CD2 4.06Å; F206-L209 PolarHBondContact O-N 2.9Å; L209-V212 HydrophobicContact CD2-CG1 4.01Å; L209-V212 HydrophobicContact CG-CG1 4.4Å; L209-L215 HydrophobicContact CD1-CD1 4.1Å; L209-L215 HydrophobicContact CD2-CD2 4.08Å; L209-L233 HydrophobicContact CB-CD2 4.41Å; L209-L233 HydrophobicContact CD2-CD1 4.36Å; L209-L233 HydrophobicContact CD2-CD2 3.5Å
210	P	91.6	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.013	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-70.5	169.9	175.6	31.4	-37.3	0	0	0	112.4	L183 P184 L188 E208 V212 N236	L183-P210 HydrophobicContact CB-CG 4.13Å; L183-P210 HydrophobicContact CD1-CG 4.34Å; P184-P210 WeakPolarHBondContact O-CB 3.07Å; L188-P210 HydrophobicContact CD2-CG 3.7Å; E208-P210 WeakPolarHBondContact O-CD 3.29Å; P210-V212 PolarHBondContact O-N 3.17Å; P210-V212 VanDerWaalsContact O-N 3.17Å; P210-N236 PolarHBondContact O-ND2 3.49Å
211	D	93.3	Very high	93.7	Very high	70 Å²	70	39 Å²	39	37%	0.374	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-62.3	116.4	171.7	-72.8	-24.2	0	0	0	109.9	H186 P237	H186-D211 IonicContact ND1-OD2 2.87Å; D211-P237 HydrophobicContact CB-CG 3.96Å
212	V	94	Very high	93.8	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.4	-173.2	63.6	0	0	0	0	111.8	L188 L191 L209 P210 S214 N236 L238	L188-V212 HydrophobicContact CD2-CB 4.29Å; L188-V212 HydrophobicContact CD2-CG2 4.16Å; L188-V212 HydrophobicContact CG-CB 4.36Å; L188-V212 HydrophobicContact CG-CG2 3.95Å; L188-V212 VanDerWaalsContact O-CA 3.3Å; L188-V212 WeakPolarHBondContact O-CA 3.31Å; L191-V212 HydrophobicContact CB-CG2 4.1Å; L209-V212 HydrophobicContact CD2-CG1 4.01Å; L209-V212 HydrophobicContact CG-CG1 4.4Å; P210-V212 PolarHBondContact O-N 3.17Å; P210-V212 VanDerWaalsContact O-N 3.17Å; V212-S214 WeakPolarHBondContact CG2-O 3.32Å; V212-N236 PolarHBondContact O-OD1 3.4Å; V212-L238 HydrophobicContact CG1-CD1 4.19Å; V212-L238 WeakPolarHBondContact O-CA 3.31Å; V212-L238 PolarHBondContact O-N 2.97Å
213	D	93.5	Very high	93.9	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-38.8	177.4	-75.6	-33.3	0	0	0	112.5	L188 A189 R239 T240	L188-D213 PolarHBondContact O-N 3Å; A189-D213 WeakPolarHBondContact O-CB 3.46Å; D213-R239 PolarHBondContact O-N 2.7Å; D213-T240 PolarHBondContact O-N 3.4Å
214	S	94.1	Very high	94.2	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.5	178.4	-168	0	0	0	0	114	A189 T190 L191 V212 T240	A189-S214 PolarHBondContact O-N 3.47Å; T190-S214 CarbonylContact C-O 3.1Å; T190-S214 VanDerWaalsContact CA-O 3.29Å; T190-S214 WeakPolarHBondContact CA-O 3.48Å; L191-S214 PolarHBondContact N-O 2.77Å; V212-S214 WeakPolarHBondContact CG2-O 3.32Å; S214-T240 CarbonylContact C-O 3.38Å; S214-T240 VanDerWaalsContact CA-O 3.23Å; S214-T240 WeakPolarHBondContact CA-O 3.43Å; S214-T240 WeakPolarHBondContact OG-CB 3.48Å; S214-T240 PolarHBondContact OG-O 2.97Å
215	L	95.7	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.7	176.9	-178.4	63.3	0	0	0	110.5	L191 L193 F206 L209 L217 L238 T240 L241 Y242	L191-L215 HydrophobicContact CB-CD1 4.03Å; L191-L215 HydrophobicContact CD2-CD1 3.97Å; L191-L215 HydrophobicContact CG-CD1 4.14Å; L193-L215 HydrophobicContact CD1-CD1 4.07Å; F206-L215 HydrophobicContact CD1-CD2 4.46Å; F206-L215 HydrophobicContact CE1-CD2 3.76Å; F206-L215 HydrophobicContact CZ-CD2 4.43Å; L209-L215 HydrophobicContact CD1-CD1 4.1Å; L209-L215 HydrophobicContact CD2-CD2 4.08Å; L215-L217 HydrophobicContact CD2-CD1 4.05Å; L215-L217 HydrophobicContact CD2-CG 4.35Å; L215-L217 HydrophobicContact CG-CD1 4.38Å; L215-L217 HydrophobicContact CG-CG 4.16Å; L215-L238 HydrophobicContact CB-CD1 3.66Å; L215-T240 PolarHBondContact N-O 2.91Å; L215-L241 HydrophobicContact CB-CD1 3.94Å; L215-L241 HydrophobicContact CD2-CD1 3.93Å; L215-L241 HydrophobicContact CG-CD1 4.04Å; L215-Y242 PolarHBondContact O-N 3.48Å
216	V	95.4	Very high	94.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.3	-177.5	-161.4	0	0	0	0	111	F142 T190 L191 D192 L193 T194 K218 Y242	F142-V216 HydrophobicContact CE1-CG2 3.47Å; F142-V216 VanDerWaalsContact CE1-CG2 3.47Å; F142-V216 HydrophobicContact CE2-CG1 4.45Å; F142-V216 HydrophobicContact CE2-CG2 4.44Å; F142-V216 HydrophobicContact CZ-CB 4.32Å; F142-V216 HydrophobicContact CZ-CG1 4.01Å; F142-V216 HydrophobicContact CZ-CG2 3.33Å; T190-V216 HydrophobicContact CG2-CG2 3.84Å; L191-V216 PolarHBondContact O-N 3.03Å; D192-V216 HydrophobicContact CB-CB 4.19Å; D192-V216 HydrophobicContact CB-CG2 4.09Å; L193-V216 CarbonylContact C-O 3.37Å; L193-V216 WeakPolarHBondContact CA-O 3.39Å; L193-V216 WeakPolarHBondContact CB-O 3.41Å; L193-V216 PolarHBondContact N-O 3.44Å; T194-V216 WeakPolarHBondContact OG1-CG1 3.39Å; V216-K218 HydrophobicContact CG1-CB 4.31Å; V216-K218 HydrophobicContact CG1-CD 3.65Å; V216-K218 HydrophobicContact CG1-CG 3.62Å; V216-Y242 HydrophobicContact CG1-CD2 4.45Å; V216-Y242 HydrophobicContact CG1-CG 4.41Å; V216-Y242 HydrophobicContact CG2-CD2 4.14Å
217	L	96.9	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-116.5	45.9	178.5	-62.5	171	0	0	0	110.8	L193 F198 I201 F206 L215 I222 L241 Y242 M243 N246	L193-L217 HydrophobicContact CB-CD2 4.08Å; L193-L217 HydrophobicContact CD1-CD2 3.73Å; F198-L217 HydrophobicContact CD2-CD2 4.03Å; F198-L217 HydrophobicContact CE2-CD2 3.6Å; I201-L217 HydrophobicContact CD1-CD1 4.16Å; F206-L217 HydrophobicContact CE1-CD1 4.32Å; F206-L217 HydrophobicContact CZ-CD1 4.11Å; L215-L217 HydrophobicContact CD2-CD1 4.05Å; L215-L217 HydrophobicContact CD2-CG 4.35Å; L215-L217 HydrophobicContact CG-CD1 4.38Å; L215-L217 HydrophobicContact CG-CG 4.16Å; L217-I222 HydrophobicContact CB-CD1 4.19Å; L217-L241 HydrophobicContact CD1-CD1 4.3Å; L217-Y242 CarbonylContact C-O 3.58Å; L217-Y242 WeakPolarHBondContact CA-O 3.34Å; L217-Y242 WeakPolarHBondContact CB-O 3.3Å; L217-Y242 PolarHBondContact N-O 3.46Å; L217-M243 HydrophobicContact CB-CG 4.32Å; L217-M243 HydrophobicContact CD1-CG 4.48Å; L217-N246 PolarHBondContact O-ND2 3.3Å
218	K	95.2	Very high	94.3	Very high	21 Å²	21	42.5 Å²	42.5	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	147.3	-177.6	-63.2	177.3	-176.6	-124.3	0	112	T194 G195 V216 C220 Y242 D244	T194-K218 CarbonylContact C-O 3.37Å; T194-K218 VanDerWaalsContact CA-O 3.31Å; T194-K218 WeakPolarHBondContact CA-O 3.49Å; T194-K218 HydrophobicContact CG2-CB 3.97Å; G195-K218 PolarHBondContact N-O 2.89Å; V216-K218 HydrophobicContact CG1-CB 4.31Å; V216-K218 HydrophobicContact CG1-CD 3.65Å; V216-K218 HydrophobicContact CG1-CG 3.62Å; K218-C220 PolarHBondContact O-N 3.33Å; K218-C220 PolarHBondContact O-SG 3.44Å; K218-Y242 VanDerWaalsContact CE-CD1 3.45Å; K218-D244 VanDerWaalsContact CA-O 3.28Å; K218-D244 WeakPolarHBondContact CA-O 3.44Å; K218-D244 WeakPolarHBondContact CD-OD2 3.34Å; K218-D244 WeakPolarHBondContact CE-OD1 3.5Å; K218-D244 WeakPolarHBondContact CE-OD2 3.49Å; K218-D244 WeakPolarHBondContact CG-OD1 3.36Å; K218-D244 VanDerWaalsContact NZ-CG 3.33Å; K218-D244 IonicContact NZ-OD1 3.54Å; K218-D244 PolarHBondContact NZ-OD1 3.3Å; K218-D244 IonicContact NZ-OD2 3.01Å; K218-D244 PolarHBondContact NZ-OD2 3.33Å
219	F	96	Very high	94.7	Very high	105 Å²	105	35.1 Å²	35.1	46%	0.461	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	27.6	177	-61.5	-82.2	0	0	0	113.5	T194 S221 D244 D245	T194-F219 HydrophobicContact CG2-CD2 4.1Å; F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 3.24Å; F219-D244 PolarHBondContact N-O 3.33Å; F219-D245 WeakPolarHBondContact CA-O 3.45Å; F219-D245 HydrophobicContact CD1-CB 3.41Å; F219-D245 VanDerWaalsContact CD1-CB 3.41Å; F219-D245 HydrophobicContact CD2-CB 4.08Å; F219-D245 HydrophobicContact CE1-CB 3.29Å; F219-D245 HydrophobicContact CE2-CB 3.97Å; F219-D245 HydrophobicContact CG-CB 3.81Å; F219-D245 HydrophobicContact CZ-CB 3.58Å; F219-D245 VanDerWaalsContact CZ-OD2 3.32Å; F219-D245 WeakPolarHBondContact CZ-OD2 3.2Å
220	C	98	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.			trans	-87.2	5.6	-174.5	-71.2	0	0	0	0	113.8	L193 N196 F198 K218 I222 N246	L193-C220 PolarHBondContact O-SG 3.49Å; N196-C220 CarbonylContact O-C 3.01Å; N196-C220 WeakPolarHBondContact O-CA 3.27Å; F198-C220 HydrophobicContact CD2-CB 3.71Å; F198-C220 HydrophobicContact CE2-CB 4.33Å; F198-C220 PolarHBondContact N-O 3.35Å; K218-C220 PolarHBondContact O-N 3.33Å; K218-C220 PolarHBondContact O-SG 3.44Å; C220-I222 HydrophobicContact CB-CD1 3.72Å; C220-I222 HydrophobicContact CB-CG1 3.73Å; C220-I222 PolarHBondContact O-N 3.39Å; C220-I222 VanDerWaalsContact O-N 3.13Å; C220-N246 WeakPolarHBondContact CA-OD1 3.23Å; C220-N246 PolarHBondContact N-OD1 3.36Å; C220-N246 VanDerWaalsContact N-OD1 3.08Å
221	S	96.1	Very high	94.7	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	19%	0.188	C	C	.	.			trans	55	24	-175.7	-76.8	0	0	0	0	114.9	F219 R223 N246 K247	F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 3.24Å; S221-R223 WeakPolarHBondContact O-CG 3.35Å; S221-R223 PolarHBondContact O-N 3.45Å; S221-N246 PolarHBondContact N-OD1 2.92Å; S221-N246 VanDerWaalsContact N-OD1 3.15Å; S221-K247 PolarHBondContact OG-NZ 2.84Å; S221-K247 VanDerWaalsContact OG-NZ 3.13Å
222	I	98.3	Very high	94.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.			trans	-66.3	124	-176.1	-56.8	160.3	0	0	0	109.8	F198 E199 I201 L217 C220 I225 M243 N246 K247 L248	F198-I222 HydrophobicContact CB-CG1 4.25Å; E199-I222 CarbonylContact O-C 3.52Å; E199-I222 WeakPolarHBondContact O-CA 3.46Å; I201-I222 HydrophobicContact CD1-CD1 3.91Å; I201-I222 HydrophobicContact CD1-CG2 4.35Å; I201-I222 HydrophobicContact CG1-CD1 4.28Å; I201-I222 HydrophobicContact CG1-CG2 4.11Å; L217-I222 HydrophobicContact CB-CD1 4.19Å; C220-I222 HydrophobicContact CB-CD1 3.72Å; C220-I222 HydrophobicContact CB-CG1 3.73Å; C220-I222 PolarHBondContact O-N 3.39Å; C220-I222 VanDerWaalsContact O-N 3.13Å; I222-I225 HydrophobicContact CG2-CG1 4.23Å; I222-M243 HydrophobicContact CD1-CE 3.81Å; I222-N246 HydrophobicContact CB-CB 4.17Å; I222-N246 WeakPolarHBondContact CG1-OD1 3.43Å; I222-N246 PolarHBondContact N-OD1 2.92Å; I222-K247 CarbonylContact O-C 3.3Å; I222-K247 VanDerWaalsContact O-CA 3.31Å; I222-K247 WeakPolarHBondContact O-CA 3.28Å; I222-K247 WeakPolarHBondContact O-CB 3.36Å; I222-K247 PolarHBondContact O-N 3.14Å; I222-L248 HydrophobicContact CG2-CD2 3.81Å; I222-L248 HydrophobicContact CG2-CG 4.49Å; I222-L248 PolarHBondContact O-N 3.26Å
223	R	97.5	Very high	94.2	Very high	138 Å²	138	43.1 Å²	43.1	52%	0.521	21%	0.205	S	C	.	.			trans	-107.7	-26.7	-179.1	-56.5	-177.8	-168.5	-173.2	6.7	112.5	E199 S221 K247 P249	E199-R223 PolarHBondContact O-N 3.46Å; S221-R223 WeakPolarHBondContact O-CG 3.35Å; S221-R223 PolarHBondContact O-N 3.45Å; R223-K247 HydrophobicContact CG-CB 4Å; R223-K247 HydrophobicContact CG-CD 4.29Å; R223-P249 WeakPolarHBondContact O-CD 3.49Å
224	E	96.9	Very high	93.9	Very high	106 Å²	106	41.7 Å²	41.7	50%	0.495	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.3	-175	-176.8	173.1	-169.6	0	0	110.1	T200 I201	T200-E224 WeakPolarHBondContact CA-O 3.43Å; T200-E224 HydrophobicContact CG2-CB 4.1Å; T200-E224 HydrophobicContact CG2-CG 4.33Å; I201-E224 PolarHBondContact N-O 3.49Å
225	I	96.4	Very high	93.6	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.5	170.7	-54.6	174.6	0	0	0	105.1	I201 I222 A229 F230 M243 L248 P252 F255	I201-I225 HydrophobicContact CB-CB 4.41Å; I201-I225 HydrophobicContact CB-CG1 4.29Å; I201-I225 HydrophobicContact CB-CG2 4.09Å; I201-I225 HydrophobicContact CD1-CG1 4.25Å; I201-I225 HydrophobicContact CG2-CG2 4.16Å; I222-I225 HydrophobicContact CG2-CG1 4.23Å; I225-A229 HydrophobicContact CG2-CB 4.15Å; I225-F230 HydrophobicContact CD1-CE2 4.39Å; I225-F230 HydrophobicContact CG2-CD2 4.21Å; I225-F230 HydrophobicContact CG2-CE2 3.79Å; I225-M243 HydrophobicContact CD1-CE 3.67Å; I225-M243 HydrophobicContact CD1-SD 4.26Å; I225-M243 HydrophobicContact CG1-CE 4.5Å; I225-L248 HydrophobicContact CD1-CD1 4Å; I225-L248 HydrophobicContact CD1-CD2 4Å; I225-L248 HydrophobicContact CG1-CD2 3.78Å; I225-P252 HydrophobicContact CB-CB 4.41Å; I225-P252 HydrophobicContact CB-CG 3.95Å; I225-P252 HydrophobicContact CG2-CB 4.45Å; I225-P252 HydrophobicContact CG2-CG 3.82Å; I225-F255 HydrophobicContact CD1-CE2 3.93Å; I225-F255 HydrophobicContact CD1-CZ 4.49Å
226	A	94.2	Very high	93.4	Very high	23 Å²	23	49.2 Å²	49.2	19%	0.19	24%	0.242	C	C	.	.			trans	-63.4	146.8	174.8	0	0	0	0	0	110.3	I201 E203 A229	I201-A226 WeakPolarHBondContact O-CB 3.33Å; I201-A226 PolarHBondContact O-N 3.27Å; E203-A226 HydrophobicContact CG-CB 3.77Å; A226-A229 WeakPolarHBondContact O-CB 3.42Å; A226-A229 PolarHBondContact O-N 2.92Å
227	S	89.7	Confident	93.4	Very high	52 Å²	52	51.3 Å²	51.3	36%	0.364	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	145	171.4	-55.6	0	0	0	0	110.1	A229	S227-A229 PolarHBondContact O-N 2.86Å
228	H	89.9	Confident	93.3	Very high	83 Å²	83	51.7 Å²	51.7	38%	0.384	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	5.9	177.5	-56	-76.1	0	0	0	116.7	F230 D231 H254	H228-F230 PolarHBondContact O-N 3.04Å; H228-F230 VanDerWaalsContact O-N 3.11Å; H228-D231 WeakPolarHBondContact CB-OD2 3.24Å; H228-D231 IonicContact CG-OD2 3.48Å; H228-D231 IonicContact ND1-OD1 3.76Å; H228-D231 IonicContact ND1-OD2 2.92Å; H228-D231 PolarHBondContact ND1-OD2 3.31Å; H228-D231 WeakPolarHBondContact O-CB 3.44Å; H228-D231 PolarHBondContact O-N 3Å; H228-H254 AromaticContact CE1-CD2 3.41Å; H228-H254 PolarHBondContact CE1-CD2 3.15Å; H228-H254 VanDerWaalsContact CE1-CD2 3.41Å; H228-H254 AromaticContact CE1-CG 3.58Å; H228-H254 AromaticContact NE2-CD2 3.59Å
229	A	92.5	Very high	93.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.008	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.1	179.4	0	0	0	0	0	113	I201 F206 I225 A226 S227	I201-A229 HydrophobicContact CG2-CB 3.98Å; F206-A229 WeakPolarHBondContact CD2-O 3.5Å; I225-A229 HydrophobicContact CG2-CB 4.15Å; A226-A229 WeakPolarHBondContact O-CB 3.42Å; A226-A229 PolarHBondContact O-N 2.92Å; S227-A229 PolarHBondContact O-N 2.86Å
230	F	93.7	Very high	93.3	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.6	179.8	-74.8	-102.8	0	0	0	113.9	F206 I225 H228 R232 L233 L241 M243 F255 F256 P257	F206-F230 HydrophobicContact CD2-CG 4.46Å; F206-F230 HydrophobicContact CE2-CD1 4.06Å; F206-F230 AromaticContact CE2-CD2 3.93Å; F206-F230 HydrophobicContact CE2-CD2 3.93Å; F206-F230 AromaticContact CE2-CE1 3.71Å; F206-F230 HydrophobicContact CE2-CE1 3.71Å; F206-F230 AromaticContact CE2-CE2 3.58Å; F206-F230 HydrophobicContact CE2-CE2 3.58Å; F206-F230 HydrophobicContact CE2-CG 4.14Å; F206-F230 AromaticContact CE2-CZ 3.46Å; F206-F230 HydrophobicContact CE2-CZ 3.46Å; F206-F230 VanDerWaalsContact CE2-CZ 3.46Å; F206-F230 AromaticContact CZ-CE1 3.95Å; F206-F230 HydrophobicContact CZ-CE1 3.95Å; F206-F230 HydrophobicContact CZ-CE2 4.24Å; F206-F230 AromaticContact CZ-CZ 3.71Å; F206-F230 HydrophobicContact CZ-CZ 3.71Å; I225-F230 HydrophobicContact CD1-CE2 4.39Å; I225-F230 HydrophobicContact CG2-CD2 4.21Å; I225-F230 HydrophobicContact CG2-CE2 3.79Å; H228-F230 PolarHBondContact O-N 3.04Å; H228-F230 VanDerWaalsContact O-N 3.11Å; F230-R232 PolarHBondContact O-N 3.08Å; F230-L233 HydrophobicContact CD1-CD1 3.64Å; F230-L233 HydrophobicContact CE1-CD1 4.12Å; F230-L233 HydrophobicContact CG-CD1 4.46Å; F230-L233 WeakPolarHBondContact O-CB 3.23Å; F230-L233 PolarHBondContact O-N 2.97Å; F230-L241 HydrophobicContact CE1-CD2 3.75Å; F230-L241 HydrophobicContact CZ-CD2 4.14Å; F230-M243 HydrophobicContact CZ-SD 4.36Å; F230-F255 WeakPolarHBondContact CB-O 3.38Å; F230-F255 AromaticContact CD2-CD2 3.98Å; F230-F255 HydrophobicContact CD2-CD2 3.98Å; F230-F255 AromaticContact CD2-CE2 3.95Å; F230-F255 HydrophobicContact CD2-CE2 3.95Å; F230-F255 HydrophobicContact CE1-CE2 4.44Å; F230-F255 HydrophobicContact CE2-CD2 4.02Å; F230-F255 AromaticContact CE2-CE2 3.53Å; F230-F255 HydrophobicContact CE2-CE2 3.53Å; F230-F255 WeakPolarHBondContact CG-O 3.47Å; F230-F255 AromaticContact CZ-CE2 3.81Å; F230-F255 HydrophobicContact CZ-CE2 3.81Å; F230-F256 HydrophobicContact CB-CD1 4.39Å; F230-F256 HydrophobicContact CD1-CD1 4.01Å; F230-F256 AromaticContact CD1-CE1 3.48Å; F230-F256 HydrophobicContact CD1-CE1 3.48Å; F230-F256 VanDerWaalsContact CD1-CE1 3.48Å; F230-F256 AromaticContact CD1-CZ 3.89Å; F230-F256 HydrophobicContact CD1-CZ 3.89Å; F230-F256 AromaticContact CE1-CE1 3.95Å; F230-F256 HydrophobicContact CE1-CE1 3.95Å; F230-F256 AromaticContact CE1-CZ 3.97Å; F230-F256 HydrophobicContact CE1-CZ 3.97Å; F230-F256 HydrophobicContact CG-CD1 4.48Å; F230-F256 HydrophobicContact CG-CE1 4.32Å; F230-P257 WeakPolarHBondContact O-CD 3.41Å
231	D	90.8	Very high	93.2	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.4	-28.3	-178.3	-75.6	4.9	0	0	0	112	H228 L233 A234	H228-D231 WeakPolarHBondContact CB-OD2 3.24Å; H228-D231 IonicContact CG-OD2 3.48Å; H228-D231 IonicContact ND1-OD1 3.76Å; H228-D231 IonicContact ND1-OD2 2.92Å; H228-D231 PolarHBondContact ND1-OD2 3.31Å; H228-D231 WeakPolarHBondContact O-CB 3.44Å; H228-D231 PolarHBondContact O-N 3Å; D231-L233 PolarHBondContact O-N 3.5Å; D231-A234 WeakPolarHBondContact O-CB 3.38Å; D231-A234 PolarHBondContact O-N 3.37Å
232	R	85.7	Confident	93.2	Very high	182 Å²	182	52.6 Å²	52.6	69%	0.687	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.7	173.4	-64.5	-62.5	-178.7	-174.3	-1.8	113.8	F230 A234	F230-R232 PolarHBondContact O-N 3.08Å; R232-A234 VanDerWaalsContact C-N 3.34Å
233	L	90.8	Very high	93.1	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-93	11.4	178.2	-57.3	179.1	0	0	0	113	F206 L209 F230 D231 D235 N236 L238	F206-L233 HydrophobicContact CB-CD1 4.39Å; F206-L233 HydrophobicContact CB-CD2 4.15Å; F206-L233 HydrophobicContact CB-CG 4.2Å; F206-L233 HydrophobicContact CD1-CD1 4.34Å; F206-L233 HydrophobicContact CD2-CD1 4.13Å; F206-L233 HydrophobicContact CG-CD1 4.04Å; F206-L233 HydrophobicContact CG-CG 4.38Å; L209-L233 HydrophobicContact CB-CD2 4.41Å; L209-L233 HydrophobicContact CD2-CD1 4.36Å; L209-L233 HydrophobicContact CD2-CD2 3.5Å; F230-L233 HydrophobicContact CD1-CD1 3.64Å; F230-L233 HydrophobicContact CE1-CD1 4.12Å; F230-L233 HydrophobicContact CG-CD1 4.46Å; F230-L233 WeakPolarHBondContact O-CB 3.23Å; F230-L233 PolarHBondContact O-N 2.97Å; D231-L233 PolarHBondContact O-N 3.5Å; L233-D235 VanDerWaalsContact C-N 3.31Å; L233-D235 PolarHBondContact O-N 2.95Å; L233-N236 HydrophobicContact CB-CB 4.11Å; L233-N236 HydrophobicContact CD2-CB 3.95Å; L233-N236 PolarHBondContact O-N 3.38Å; L233-L238 HydrophobicContact CD1-CD2 4.25Å
234	A	87.5	Confident	92.9	Very high	37 Å²	37	46.3 Å²	46.3	31%	0.306	23%	0.232	S	C	.	.	S	Bend	trans	-57.7	-40.7	179.7	0	0	0	0	0	113.4	D231 R232 P257	D231-A234 WeakPolarHBondContact O-CB 3.38Å; D231-A234 PolarHBondContact O-N 3.37Å; R232-A234 VanDerWaalsContact C-N 3.34Å; A234-P257 HydrophobicContact CB-CB 3.91Å; A234-P257 HydrophobicContact CB-CG 3.74Å
235	D	88.3	Confident	92.9	Very high	160 Å²	160	43 Å²	43	86%	0.856	22%	0.218	S	C	*	.	S	Bend	trans	-95.8	-3.4	179.6	-62	-47.1	0	0	0	113.1	L233	L233-D235 VanDerWaalsContact C-N 3.31Å; L233-D235 PolarHBondContact O-N 2.95Å
236	N	92.4	Very high	93	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	22%	0.216	C	C	.	.			trans	-76	138.8	-176.8	-168.1	-71.8	0	0	0	110.5	P210 V212 L233 L238	P210-N236 PolarHBondContact O-ND2 3.49Å; V212-N236 PolarHBondContact O-OD1 3.4Å; L233-N236 HydrophobicContact CB-CB 4.11Å; L233-N236 HydrophobicContact CD2-CB 3.95Å; L233-N236 PolarHBondContact O-N 3.38Å; N236-L238 PolarHBondContact O-N 2.99Å; N236-L238 VanDerWaalsContact O-N 3.07Å; N236-L238 WeakPolarHBondContact OD1-CB 3.44Å; N236-L238 PolarHBondContact OD1-N 3.41Å
237	P	93.6	Very high	93.2	Very high	45 Å²	45	45.4 Å²	45.4	29%	0.292	22%	0.224	S	C	.	.			trans	-72.1	3.5	-178.6	30.4	-36.8	0	0	0	114.8	D211 R239	D211-P237 HydrophobicContact CB-CG 3.96Å; P237-R239 WeakPolarHBondContact O-CG 3.4Å; P237-R239 PolarHBondContact O-N 3.08Å; P237-R239 VanDerWaalsContact O-N 3.1Å
238	L	95.5	Very high	93.6	Very high	7 Å²	7	43 Å²	43	4%	0.037	21%	0.207	C	C	.	.			trans	-42.8	113.2	-176.1	-173.7	68.1	0	0	0	113.7	V212 L215 L233 N236 L241 Q261 L262	V212-L238 HydrophobicContact CG1-CD1 4.19Å; V212-L238 WeakPolarHBondContact O-CA 3.31Å; V212-L238 PolarHBondContact O-N 2.97Å; L215-L238 HydrophobicContact CB-CD1 3.66Å; L233-L238 HydrophobicContact CD1-CD2 4.25Å; N236-L238 PolarHBondContact O-N 2.99Å; N236-L238 VanDerWaalsContact O-N 3.07Å; N236-L238 WeakPolarHBondContact OD1-CB 3.44Å; N236-L238 PolarHBondContact OD1-N 3.41Å; L238-L241 HydrophobicContact CD2-CB 4.46Å; L238-Q261 CarbonylContact O-C 3.56Å; L238-L262 HydrophobicContact CD2-CD1 4.31Å; L238-L262 HydrophobicContact CG-CD1 4.09Å; L238-L262 PolarHBondContact O-N 2.97Å
239	R	95.5	Very high	93.9	Very high	147 Å²	147	41.2 Å²	41.2	56%	0.555	20%	0.202	S	C	*	.			trans	-103	-32	178.7	-56.5	-169.7	-178.1	-144.1	-1.2	112.8	D213 P237 S263 I264	D213-R239 PolarHBondContact O-N 2.7Å; P237-R239 WeakPolarHBondContact O-CG 3.4Å; P237-R239 PolarHBondContact O-N 3.08Å; P237-R239 VanDerWaalsContact O-N 3.1Å; R239-S263 WeakPolarHBondContact O-CA 3.43Å; R239-S263 PolarHBondContact O-N 2.93Å; R239-I264 PolarHBondContact O-N 3.45Å
240	T	95.4	Very high	94	Very high	22 Å²	22	46 Å²	46	14%	0.135	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.7	-172.9	-56.9	0	0	0	0	111.3	D213 S214 L215 Y242 I264	D213-T240 PolarHBondContact O-N 3.4Å; S214-T240 CarbonylContact C-O 3.38Å; S214-T240 VanDerWaalsContact CA-O 3.23Å; S214-T240 WeakPolarHBondContact CA-O 3.43Å; S214-T240 WeakPolarHBondContact OG-CB 3.48Å; S214-T240 PolarHBondContact OG-O 2.97Å; L215-T240 PolarHBondContact N-O 2.91Å; T240-Y242 HydrophobicContact CG2-CD2 3.92Å; T240-Y242 HydrophobicContact CG2-CE2 3.16Å; T240-Y242 WeakPolarHBondContact CG2-OH 3.24Å; T240-I264 WeakPolarHBondContact CA-O 3.09Å; T240-I264 HydrophobicContact CG2-CB 3.92Å; T240-I264 HydrophobicContact CG2-CG2 3.97Å
241	L	96.5	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.7	176.4	179.7	64	0	0	0	110.8	L215 L217 F230 L238 M243 F256 L262 I264 L265 I266	L215-L241 HydrophobicContact CB-CD1 3.94Å; L215-L241 HydrophobicContact CD2-CD1 3.93Å; L215-L241 HydrophobicContact CG-CD1 4.04Å; L217-L241 HydrophobicContact CD1-CD1 4.3Å; F230-L241 HydrophobicContact CE1-CD2 3.75Å; F230-L241 HydrophobicContact CZ-CD2 4.14Å; L238-L241 HydrophobicContact CD2-CB 4.46Å; L241-M243 HydrophobicContact CD1-CG 4.15Å; L241-M243 HydrophobicContact CD2-CG 4.07Å; L241-M243 HydrophobicContact CD2-SD 3.88Å; L241-M243 HydrophobicContact CG-CG 3.92Å; L241-M243 HydrophobicContact CG-SD 4.4Å; L241-F256 HydrophobicContact CD2-CE1 4.42Å; L241-F256 HydrophobicContact CD2-CZ 3.62Å; L241-L262 HydrophobicContact CB-CD1 3.82Å; L241-I264 PolarHBondContact N-O 3.46Å; L241-L265 HydrophobicContact CB-CD1 4.19Å; L241-L265 HydrophobicContact CD2-CD1 3.97Å; L241-L265 HydrophobicContact CG-CD1 4.28Å; L241-I266 PolarHBondContact O-N 2.73Å
242	Y	95.5	Very high	94.2	Very high	6 Å²	6	43.6 Å²	43.6	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	170	-59.6	-94	0	0	0	111.8	P141 F142 L215 V216 L217 K218 T240 I266	P141-Y242 WeakPolarHBondContact CG-OH 3.49Å; F142-Y242 HydrophobicContact CE1-CD2 4.39Å; F142-Y242 AromaticContact CE1-CE2 3.91Å; F142-Y242 HydrophobicContact CE1-CE2 3.91Å; F142-Y242 HydrophobicContact CE2-CD1 4.33Å; F142-Y242 HydrophobicContact CE2-CD2 4.13Å; F142-Y242 HydrophobicContact CE2-CE1 4.04Å; F142-Y242 AromaticContact CE2-CE2 3.79Å; F142-Y242 HydrophobicContact CE2-CE2 3.79Å; F142-Y242 HydrophobicContact CE2-CG 4.38Å; F142-Y242 AromaticContact CE2-CZ 3.79Å; F142-Y242 HydrophobicContact CZ-CD1 4.44Å; F142-Y242 AromaticContact CZ-CD2 3.44Å; F142-Y242 HydrophobicContact CZ-CD2 3.44Å; F142-Y242 VanDerWaalsContact CZ-CD2 3.44Å; F142-Y242 HydrophobicContact CZ-CE1 4.24Å; F142-Y242 AromaticContact CZ-CE2 3.14Å; F142-Y242 HydrophobicContact CZ-CE2 3.14Å; F142-Y242 HydrophobicContact CZ-CG 4.09Å; F142-Y242 AromaticContact CZ-CZ 3.64Å; L215-Y242 PolarHBondContact O-N 3.48Å; V216-Y242 HydrophobicContact CG1-CD2 4.45Å; V216-Y242 HydrophobicContact CG1-CG 4.41Å; V216-Y242 HydrophobicContact CG2-CD2 4.14Å; L217-Y242 CarbonylContact C-O 3.58Å; L217-Y242 WeakPolarHBondContact CA-O 3.34Å; L217-Y242 WeakPolarHBondContact CB-O 3.3Å; L217-Y242 PolarHBondContact N-O 3.46Å; K218-Y242 VanDerWaalsContact CE-CD1 3.45Å; T240-Y242 HydrophobicContact CG2-CD2 3.92Å; T240-Y242 HydrophobicContact CG2-CE2 3.16Å; T240-Y242 WeakPolarHBondContact CG2-OH 3.24Å; Y242-I266 HydrophobicContact CD1-CB 3.81Å; Y242-I266 HydrophobicContact CD1-CG1 3.61Å; Y242-I266 HydrophobicContact CD1-CG2 4.12Å; Y242-I266 HydrophobicContact CE1-CB 4.39Å; Y242-I266 HydrophobicContact CE1-CG1 3.68Å; Y242-I266 HydrophobicContact CG-CB 4.47Å; Y242-I266 HydrophobicContact CG-CG1 4.4Å
243	M	96.5	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.			trans	-133.5	26.5	173.6	-64.2	-167.1	71.6	0	0	111.1	I201 L217 I222 I225 F230 L241 N246 L248 F255 I266 L267 N270	I201-M243 HydrophobicContact CD1-CE 3.9Å; L217-M243 HydrophobicContact CB-CG 4.32Å; L217-M243 HydrophobicContact CD1-CG 4.48Å; I222-M243 HydrophobicContact CD1-CE 3.81Å; I225-M243 HydrophobicContact CD1-CE 3.67Å; I225-M243 HydrophobicContact CD1-SD 4.26Å; I225-M243 HydrophobicContact CG1-CE 4.5Å; F230-M243 HydrophobicContact CZ-SD 4.36Å; L241-M243 HydrophobicContact CD1-CG 4.15Å; L241-M243 HydrophobicContact CD2-CG 4.07Å; L241-M243 HydrophobicContact CD2-SD 3.88Å; L241-M243 HydrophobicContact CG-CG 3.92Å; L241-M243 HydrophobicContact CG-SD 4.4Å; M243-N246 PolarHBondContact O-ND2 2.98Å; M243-L248 HydrophobicContact CE-CD1 4.01Å; M243-F255 HydrophobicContact SD-CZ 4.25Å; M243-I266 CarbonylContact C-O 3.45Å; M243-I266 WeakPolarHBondContact CA-O 3.31Å; M243-I266 PolarHBondContact N-O 2.94Å; M243-L267 HydrophobicContact CB-CD2 4.02Å; M243-N270 PolarHBondContact O-ND2 3.02Å
244	D	94.6	Very high	93.6	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.032	22%	0.223	C	C	.	.			trans	-66.4	153	176.6	47.7	-66.5	0	0	0	113.5	K218 F219 N246 I266 A268 R269	K218-D244 VanDerWaalsContact CA-O 3.28Å; K218-D244 WeakPolarHBondContact CA-O 3.44Å; K218-D244 WeakPolarHBondContact CD-OD2 3.34Å; K218-D244 WeakPolarHBondContact CE-OD1 3.5Å; K218-D244 WeakPolarHBondContact CE-OD2 3.49Å; K218-D244 WeakPolarHBondContact CG-OD1 3.36Å; K218-D244 VanDerWaalsContact NZ-CG 3.33Å; K218-D244 IonicContact NZ-OD1 3.54Å; K218-D244 PolarHBondContact NZ-OD1 3.3Å; K218-D244 IonicContact NZ-OD2 3.01Å; K218-D244 PolarHBondContact NZ-OD2 3.33Å; F219-D244 PolarHBondContact N-O 3.33Å; D244-N246 PolarHBondContact O-N 3.34Å; D244-N246 PolarHBondContact O-ND2 2.87Å; D244-I266 HydrophobicContact CB-CG2 3.98Å; D244-I266 WeakPolarHBondContact OD1-CG2 3.24Å; D244-A268 CarbonylContact C-O 3.53Å; D244-A268 WeakPolarHBondContact CA-O 3.37Å; D244-A268 HydrophobicContact CB-CB 3.98Å; D244-A268 WeakPolarHBondContact CB-O 3.31Å; D244-R269 IonicContact OD2-NH2 3.13Å; D244-R269 PolarHBondContact OD2-NH2 2.95Å
245	D	96.1	Very high	93.7	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	21%	0.209	C	C	.	.	S	Bend	trans	60.6	41	179.3	-62.4	-81.1	0	0	0	114.1	F219 A268 R269	F219-D245 WeakPolarHBondContact CA-O 3.45Å; F219-D245 HydrophobicContact CD1-CB 3.41Å; F219-D245 VanDerWaalsContact CD1-CB 3.41Å; F219-D245 HydrophobicContact CD2-CB 4.08Å; F219-D245 HydrophobicContact CE1-CB 3.29Å; F219-D245 HydrophobicContact CE2-CB 3.97Å; F219-D245 HydrophobicContact CG-CB 3.81Å; F219-D245 HydrophobicContact CZ-CB 3.58Å; F219-D245 VanDerWaalsContact CZ-OD2 3.32Å; F219-D245 WeakPolarHBondContact CZ-OD2 3.2Å; D245-A268 PolarHBondContact N-O 2.89Å; D245-R269 WeakPolarHBondContact CA-O 3.33Å; D245-R269 VanDerWaalsContact OD1-CD 3.3Å; D245-R269 WeakPolarHBondContact OD1-CD 3.3Å; D245-R269 IonicContact OD1-CZ 2.76Å; D245-R269 IonicContact OD1-NE 3.08Å; D245-R269 PolarHBondContact OD1-NE 3.39Å; D245-R269 IonicContact OD1-NH2 3.68Å; D245-R269 IonicContact OD2-CZ 3.86Å; D245-R269 VanDerWaalsContact OD2-CZ 3.23Å; D245-R269 IonicContact OD2-NE 3.56Å; D245-R269 PolarHBondContact OD2-NE 3.12Å; D245-R269 IonicContact OD2-NH2 3.74Å; D245-R269 PolarHBondContact OD2-NH2 3.29Å
246	N	98.5	Very high	93.9	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.027	17%	0.171	C	C	.	.			trans	-107.4	-168.3	169.9	-75	-69.1	0	0	0	110.7	L217 C220 S221 I222 M243 D244 N270	L217-N246 PolarHBondContact O-ND2 3.3Å; C220-N246 WeakPolarHBondContact CA-OD1 3.23Å; C220-N246 PolarHBondContact N-OD1 3.36Å; C220-N246 VanDerWaalsContact N-OD1 3.08Å; S221-N246 PolarHBondContact N-OD1 2.92Å; S221-N246 VanDerWaalsContact N-OD1 3.15Å; I222-N246 HydrophobicContact CB-CB 4.17Å; I222-N246 WeakPolarHBondContact CG1-OD1 3.43Å; I222-N246 PolarHBondContact N-OD1 2.92Å; M243-N246 PolarHBondContact O-ND2 2.98Å; D244-N246 PolarHBondContact O-N 3.34Å; D244-N246 PolarHBondContact O-ND2 2.87Å; N246-N270 WeakPolarHBondContact CA-OD1 3.29Å; N246-N270 WeakPolarHBondContact CB-OD1 3.3Å; N246-N270 PolarHBondContact O-OD1 3.4Å
247	K	97.9	Very high	93.8	Very high	80 Å²	80	36 Å²	36	35%	0.348	17%	0.173	S	C	.	.			trans	-120.7	19.5	-171.9	-63.6	173.6	-177.3	159.6	0	112.1	S221 I222 R223 P249 N270 H271	S221-K247 PolarHBondContact OG-NZ 2.84Å; S221-K247 VanDerWaalsContact OG-NZ 3.13Å; I222-K247 CarbonylContact O-C 3.3Å; I222-K247 VanDerWaalsContact O-CA 3.31Å; I222-K247 WeakPolarHBondContact O-CA 3.28Å; I222-K247 WeakPolarHBondContact O-CB 3.36Å; I222-K247 PolarHBondContact O-N 3.14Å; R223-K247 HydrophobicContact CG-CB 4Å; R223-K247 HydrophobicContact CG-CD 4.29Å; K247-P249 WeakPolarHBondContact O-CD 3.4Å; K247-N270 PolarHBondContact N-OD1 2.76Å; K247-H271 PolarHBondContact O-ND1 3.31Å; K247-H271 VanDerWaalsContact O-ND1 3.14Å
248	L	97.8	Very high	93.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.			trans	-64.1	118.8	-172.8	-67.1	171.5	0	0	0	111.6	I222 I225 M243 L267 N270 H271 L272	I222-L248 HydrophobicContact CG2-CD2 3.81Å; I222-L248 HydrophobicContact CG2-CG 4.49Å; I222-L248 PolarHBondContact O-N 3.26Å; I225-L248 HydrophobicContact CD1-CD1 4Å; I225-L248 HydrophobicContact CD1-CD2 4Å; I225-L248 HydrophobicContact CG1-CD2 3.78Å; M243-L248 HydrophobicContact CE-CD1 4.01Å; L248-L267 HydrophobicContact CD1-CD2 4.44Å; L248-N270 HydrophobicContact CB-CB 4.29Å; L248-N270 WeakPolarHBondContact CB-OD1 3.46Å; L248-N270 WeakPolarHBondContact CG-OD1 3.23Å; L248-N270 PolarHBondContact N-OD1 2.92Å; L248-N270 VanDerWaalsContact N-OD1 3.1Å; L248-H271 CarbonylContact O-C 3.5Å; L248-H271 WeakPolarHBondContact O-CA 3.47Å; L248-H271 WeakPolarHBondContact O-CB 3.26Å; L248-H271 PolarHBondContact O-N 3.34Å; L248-L272 HydrophobicContact CB-CD2 4.34Å; L248-L272 PolarHBondContact O-N 3.4Å
249	P	96.7	Very high	93.4	Very high	45 Å²	45	42.9 Å²	42.9	29%	0.292	21%	0.214	S	C	.	.	S	Bend	trans	-82.7	-25.7	175.6	29.7	-28.4	0	0	0	113.1	R223 K247 H273	R223-P249 WeakPolarHBondContact O-CD 3.49Å; K247-P249 WeakPolarHBondContact O-CD 3.4Å; P249-H273 PolarHBondContact O-CE1 3.1Å; P249-H273 PolarHBondContact O-ND1 2.74Å
250	H	95.4	Very high	93.3	Very high	103 Å²	103	36.3 Å²	36.3	48%	0.477	19%	0.19	S	C	.	.	S	Bend	trans	-151.5	162.6	177.5	54.1	-90	0	0	0	109.8
251	L	95.2	Very high	93.2	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-89.6	149	169.7	-62.1	175.1	0	0	0	109.5	F255 L267 L272 D279 F280	L251-F255 HydrophobicContact CD1-CD1 4.31Å; L251-F255 HydrophobicContact CD1-CE1 4.36Å; L251-F255 HydrophobicContact CD2-CD1 4.35Å; L251-F255 HydrophobicContact CD2-CE1 3.92Å; L251-F255 HydrophobicContact CD2-CZ 4.23Å; L251-L267 HydrophobicContact CD1-CD1 3.96Å; L251-L267 HydrophobicContact CD2-CD1 4.01Å; L251-L267 HydrophobicContact CD2-CD2 4.01Å; L251-L272 HydrophobicContact CD2-CD1 4.47Å; L251-L272 HydrophobicContact CD2-CD2 4.27Å; L251-L272 HydrophobicContact CG-CD1 4.43Å; L251-L272 HydrophobicContact CG-CD2 4.1Å; L251-D279 HydrophobicContact CD1-CB 3.99Å; L251-F280 HydrophobicContact CD1-CE1 3.65Å; L251-F280 HydrophobicContact CD1-CZ 3.97Å
252	P	92.2	Very high	93.2	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.045	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-68.7	154.3	179	29.9	-36.2	0	0	0	111.7	I225 F255	I225-P252 HydrophobicContact CB-CB 4.41Å; I225-P252 HydrophobicContact CB-CG 3.95Å; I225-P252 HydrophobicContact CG2-CB 4.45Å; I225-P252 HydrophobicContact CG2-CG 3.82Å; P252-F255 HydrophobicContact CG-CB 4.06Å; P252-F255 HydrophobicContact CG-CD2 3.55Å; P252-F255 HydrophobicContact CG-CE2 4.32Å; P252-F255 HydrophobicContact CG-CG 4.06Å
253	E	83.3	Confident	93.3	Very high	122 Å²	122	40.6 Å²	40.6	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	138.6	165.6	-162.2	172.5	-172.7	0	0	108.8
254	H	81.3	Confident	93.3	Very high	85 Å²	85	42.6 Å²	42.6	39%	0.394	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	53.1	-172.3	-52.8	-72.1	0	0	0	113.1	H228 F256	H228-H254 AromaticContact CE1-CD2 3.41Å; H228-H254 PolarHBondContact CE1-CD2 3.15Å; H228-H254 VanDerWaalsContact CE1-CD2 3.41Å; H228-H254 AromaticContact CE1-CG 3.58Å; H228-H254 AromaticContact NE2-CD2 3.59Å; H254-F256 VanDerWaalsContact C-N 3.29Å; H254-F256 PolarHBondContact O-N 3.13Å
255	F	89.2	Confident	93.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	22%	0.22	C	C	.	.			trans	-59.8	-35.2	-176.8	-173	-155.6	0	0	0	114.1	I225 F230 M243 L251 P252 L265	I225-F255 HydrophobicContact CD1-CE2 3.93Å; I225-F255 HydrophobicContact CD1-CZ 4.49Å; F230-F255 WeakPolarHBondContact CB-O 3.38Å; F230-F255 AromaticContact CD2-CD2 3.98Å; F230-F255 HydrophobicContact CD2-CD2 3.98Å; F230-F255 AromaticContact CD2-CE2 3.95Å; F230-F255 HydrophobicContact CD2-CE2 3.95Å; F230-F255 HydrophobicContact CE1-CE2 4.44Å; F230-F255 HydrophobicContact CE2-CD2 4.02Å; F230-F255 AromaticContact CE2-CE2 3.53Å; F230-F255 HydrophobicContact CE2-CE2 3.53Å; F230-F255 WeakPolarHBondContact CG-O 3.47Å; F230-F255 AromaticContact CZ-CE2 3.81Å; F230-F255 HydrophobicContact CZ-CE2 3.81Å; M243-F255 HydrophobicContact SD-CZ 4.25Å; L251-F255 HydrophobicContact CD1-CD1 4.31Å; L251-F255 HydrophobicContact CD1-CE1 4.36Å; L251-F255 HydrophobicContact CD2-CD1 4.35Å; L251-F255 HydrophobicContact CD2-CE1 3.92Å; L251-F255 HydrophobicContact CD2-CZ 4.23Å; P252-F255 HydrophobicContact CG-CB 4.06Å; P252-F255 HydrophobicContact CG-CD2 3.55Å; P252-F255 HydrophobicContact CG-CE2 4.32Å; P252-F255 HydrophobicContact CG-CG 4.06Å; F255-L265 HydrophobicContact CE1-CD1 4.47Å; F255-L265 HydrophobicContact CE1-CD2 4.11Å
256	F	92.6	Very high	93.4	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.044	21%	0.211	C	C	.	.	S	Bend	trans	-135.6	146.2	173.7	-75.2	-87.3	0	0	0	111.5	F230 L241 H254 L262 L265 N282 L283	F230-F256 HydrophobicContact CB-CD1 4.39Å; F230-F256 HydrophobicContact CD1-CD1 4.01Å; F230-F256 AromaticContact CD1-CE1 3.48Å; F230-F256 HydrophobicContact CD1-CE1 3.48Å; F230-F256 VanDerWaalsContact CD1-CE1 3.48Å; F230-F256 AromaticContact CD1-CZ 3.89Å; F230-F256 HydrophobicContact CD1-CZ 3.89Å; F230-F256 AromaticContact CE1-CE1 3.95Å; F230-F256 HydrophobicContact CE1-CE1 3.95Å; F230-F256 AromaticContact CE1-CZ 3.97Å; F230-F256 HydrophobicContact CE1-CZ 3.97Å; F230-F256 HydrophobicContact CG-CD1 4.48Å; F230-F256 HydrophobicContact CG-CE1 4.32Å; L241-F256 HydrophobicContact CD2-CE1 4.42Å; L241-F256 HydrophobicContact CD2-CZ 3.62Å; H254-F256 VanDerWaalsContact C-N 3.29Å; H254-F256 PolarHBondContact O-N 3.13Å; F256-L262 HydrophobicContact CE1-CD2 4.01Å; F256-L262 HydrophobicContact CE2-CD2 3.84Å; F256-L262 HydrophobicContact CZ-CD2 3.54Å; F256-L265 HydrophobicContact CE2-CD2 4.42Å; F256-N282 WeakPolarHBondContact O-CB 3.35Å; F256-N282 PolarHBondContact O-ND2 3.26Å; F256-L283 HydrophobicContact CB-CD2 4.08Å; F256-L283 HydrophobicContact CD2-CD1 4.37Å; F256-L283 HydrophobicContact CD2-CD2 3.61Å; F256-L283 HydrophobicContact CD2-CG 4.28Å; F256-L283 HydrophobicContact CE2-CD2 4.13Å; F256-L283 HydrophobicContact CG-CD2 3.84Å
257	P	91.1	Very high	93.4	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.104	21%	0.21	C	C	.	.			trans	-67.3	154.3	173.8	28.5	-34.6	0	0	0	111.3	F230 A234 N260	F230-P257 WeakPolarHBondContact O-CD 3.41Å; A234-P257 HydrophobicContact CB-CB 3.91Å; A234-P257 HydrophobicContact CB-CG 3.74Å; P257-N260 PolarHBondContact O-ND2 3.26Å
258	E	90	Very high	93.3	Very high	150 Å²	150	36.6 Å²	36.6	70%	0.701	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	140.1	170.4	-73.3	-172	174.7	0	0	110.5	N282	E258-N282 HydrophobicContact CG-CB 4.49Å; E258-N282 WeakPolarHBondContact CG-OD1 3.22Å
259	G	90	Very high	93.2	Very high	47 Å²	47	41.4 Å²	41.4	49%	0.485	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	0.3	176.9	0	0	0	0	0	116	Q261	G259-Q261 PolarHBondContact O-NE2 2.79Å
260	N	93.6	Very high	93.3	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.198	C	C	.	.			trans	-56	156.6	173.4	70.8	83	0	0	0	112.7	P257 L262 N282	P257-N260 PolarHBondContact O-ND2 3.26Å; N260-L262 WeakPolarHBondContact OD1-CB 3.38Å; N260-L262 PolarHBondContact OD1-N 3.39Å; N260-N282 PolarHBondContact ND2-O 3.4Å
261	Q	94.4	Very high	93.4	Very high	93 Å²	93	37.3 Å²	37.3	44%	0.435	19%	0.188	S	C	.	.			trans	-101	14.4	-177.7	-57.1	-55.4	-48.4	0	0	113.7	L238 G259 S263	L238-Q261 CarbonylContact O-C 3.56Å; G259-Q261 PolarHBondContact O-NE2 2.79Å; Q261-S263 PolarHBondContact O-N 3.4Å; Q261-S263 PolarHBondContact O-OG 3.42Å
262	L	96.7	Very high	93.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.186	C	C	.	.			trans	-66	122.2	-171.6	-162.7	75.5	0	0	0	111	L238 L241 F256 N260 L265 L283 K285 L286	L238-L262 HydrophobicContact CD2-CD1 4.31Å; L238-L262 HydrophobicContact CG-CD1 4.09Å; L238-L262 PolarHBondContact O-N 2.97Å; L241-L262 HydrophobicContact CB-CD1 3.82Å; F256-L262 HydrophobicContact CE1-CD2 4.01Å; F256-L262 HydrophobicContact CE2-CD2 3.84Å; F256-L262 HydrophobicContact CZ-CD2 3.54Å; N260-L262 WeakPolarHBondContact OD1-CB 3.38Å; N260-L262 PolarHBondContact OD1-N 3.39Å; L262-L265 HydrophobicContact CD2-CB 3.86Å; L262-L265 HydrophobicContact CD2-CD1 4.16Å; L262-L265 HydrophobicContact CD2-CD2 4.35Å; L262-L265 HydrophobicContact CD2-CG 4.34Å; L262-L283 HydrophobicContact CB-CD2 4.12Å; L262-L283 HydrophobicContact CD2-CD2 3.77Å; L262-K285 CarbonylContact O-C 3.14Å; L262-K285 VanDerWaalsContact O-C 3.25Å; L262-L286 HydrophobicContact CD2-CD1 4.21Å; L262-L286 HydrophobicContact CG-CD1 4.26Å; L262-L286 WeakPolarHBondContact O-CA 3.31Å; L262-L286 PolarHBondContact O-N 2.87Å
263	S	97.1	Very high	93.7	Very high	24 Å²	24	41.6 Å²	41.6	17%	0.168	21%	0.207	C	C	.	.			trans	-107.6	-33.6	-178.4	-56.1	0	0	0	0	111.9	R239 Q261 Q287 E288	R239-S263 WeakPolarHBondContact O-CA 3.43Å; R239-S263 PolarHBondContact O-N 2.93Å; Q261-S263 PolarHBondContact O-N 3.4Å; Q261-S263 PolarHBondContact O-OG 3.42Å; S263-Q287 PolarHBondContact O-N 3.3Å; S263-E288 PolarHBondContact O-N 3.09Å
264	I	96.3	Very high	94.1	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.215	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.2	-178.3	-58.6	-178.7	0	0	0	109.4	R239 T240 L241 I266 E288	R239-I264 PolarHBondContact O-N 3.45Å; T240-I264 WeakPolarHBondContact CA-O 3.09Å; T240-I264 HydrophobicContact CG2-CB 3.92Å; T240-I264 HydrophobicContact CG2-CG2 3.97Å; L241-I264 PolarHBondContact N-O 3.46Å; I264-I266 HydrophobicContact CG2-CD1 3.49Å; I264-I266 VanDerWaalsContact CG2-CD1 3.49Å; I264-I266 HydrophobicContact CG2-CG1 3.93Å; I264-E288 HydrophobicContact CB-CB 4.49Å; I264-E288 HydrophobicContact CG1-CB 4.14Å; I264-E288 HydrophobicContact CG2-CB 4.22Å; I264-E288 HydrophobicContact CG2-CG 4.41Å
265	L	97.3	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.7	179.2	175.9	58.5	0	0	0	111.1	L241 F255 F256 L262 L267 F280 L283 L286 E288 L289 D290	L241-L265 HydrophobicContact CB-CD1 4.19Å; L241-L265 HydrophobicContact CD2-CD1 3.97Å; L241-L265 HydrophobicContact CG-CD1 4.28Å; F255-L265 HydrophobicContact CE1-CD1 4.47Å; F255-L265 HydrophobicContact CE1-CD2 4.11Å; F256-L265 HydrophobicContact CE2-CD2 4.42Å; L262-L265 HydrophobicContact CD2-CB 3.86Å; L262-L265 HydrophobicContact CD2-CD1 4.16Å; L262-L265 HydrophobicContact CD2-CD2 4.35Å; L262-L265 HydrophobicContact CD2-CG 4.34Å; L265-L267 HydrophobicContact CD1-CD1 4.37Å; L265-L267 HydrophobicContact CD1-CG 4.14Å; L265-L267 HydrophobicContact CD2-CD1 3.94Å; L265-L267 HydrophobicContact CG-CD1 4.02Å; L265-L267 HydrophobicContact CG-CG 4.13Å; L265-F280 HydrophobicContact CD2-CD1 4.5Å; L265-F280 HydrophobicContact CD2-CE1 4.41Å; L265-L283 HydrophobicContact CD2-CD1 3.68Å; L265-L286 HydrophobicContact CB-CD1 3.63Å; L265-L286 HydrophobicContact CB-CD2 4.41Å; L265-E288 PolarHBondContact N-O 3.18Å; L265-L289 HydrophobicContact CB-CD1 4.19Å; L265-L289 HydrophobicContact CD2-CD1 4.07Å; L265-L289 HydrophobicContact CG-CD1 4.12Å; L265-D290 PolarHBondContact O-N 2.92Å
266	I	95.6	Very high	94.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.8	-174.3	-47.8	-49.9	0	0	0	110.5	R138 L241 Y242 M243 D244 I264 A268 D290	R138-I266 VanDerWaalsContact CZ-CD1 3.4Å; R138-I266 VanDerWaalsContact NH2-CG1 3.3Å; L241-I266 PolarHBondContact O-N 2.73Å; Y242-I266 HydrophobicContact CD1-CB 3.81Å; Y242-I266 HydrophobicContact CD1-CG1 3.61Å; Y242-I266 HydrophobicContact CD1-CG2 4.12Å; Y242-I266 HydrophobicContact CE1-CB 4.39Å; Y242-I266 HydrophobicContact CE1-CG1 3.68Å; Y242-I266 HydrophobicContact CG-CB 4.47Å; Y242-I266 HydrophobicContact CG-CG1 4.4Å; M243-I266 CarbonylContact C-O 3.45Å; M243-I266 WeakPolarHBondContact CA-O 3.31Å; M243-I266 PolarHBondContact N-O 2.94Å; D244-I266 HydrophobicContact CB-CG2 3.98Å; D244-I266 WeakPolarHBondContact OD1-CG2 3.24Å; I264-I266 HydrophobicContact CG2-CD1 3.49Å; I264-I266 VanDerWaalsContact CG2-CD1 3.49Å; I264-I266 HydrophobicContact CG2-CG1 3.93Å; I266-A268 HydrophobicContact CG2-CB 4.38Å; I266-D290 HydrophobicContact CB-CB 4.42Å; I266-D290 HydrophobicContact CD1-CB 3.52Å; I266-D290 HydrophobicContact CG2-CB 4.08Å
267	L	97.3	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.			trans	-122.9	20.4	-178	-70	166.5	0	0	0	111.5	M243 L248 L251 L265 N270 L272 F280 D290 L291 N294	M243-L267 HydrophobicContact CB-CD2 4.02Å; L248-L267 HydrophobicContact CD1-CD2 4.44Å; L251-L267 HydrophobicContact CD1-CD1 3.96Å; L251-L267 HydrophobicContact CD2-CD1 4.01Å; L251-L267 HydrophobicContact CD2-CD2 4.01Å; L265-L267 HydrophobicContact CD1-CD1 4.37Å; L265-L267 HydrophobicContact CD1-CG 4.14Å; L265-L267 HydrophobicContact CD2-CD1 3.94Å; L265-L267 HydrophobicContact CG-CD1 4.02Å; L265-L267 HydrophobicContact CG-CG 4.13Å; L267-N270 PolarHBondContact O-ND2 2.92Å; L267-L272 HydrophobicContact CB-CD1 4.37Å; L267-L272 HydrophobicContact CD1-CD1 4.49Å; L267-F280 HydrophobicContact CD1-CE1 4.3Å; L267-D290 CarbonylContact C-O 3.52Å; L267-D290 WeakPolarHBondContact CA-O 3.49Å; L267-D290 PolarHBondContact N-O 3.01Å; L267-L291 HydrophobicContact CB-CD2 3.96Å; L267-L291 HydrophobicContact CD1-CD2 3.98Å; L267-N294 PolarHBondContact O-ND2 2.84Å
268	A	95.6	Very high	94.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	149.3	-176.8	0	0	0	0	0	112.4	D244 D245 I266 N270 D290 R292	D244-A268 CarbonylContact C-O 3.53Å; D244-A268 WeakPolarHBondContact CA-O 3.37Å; D244-A268 HydrophobicContact CB-CB 3.98Å; D244-A268 WeakPolarHBondContact CB-O 3.31Å; D245-A268 PolarHBondContact N-O 2.89Å; I266-A268 HydrophobicContact CG2-CB 4.38Å; A268-N270 VanDerWaalsContact C-N 3.34Å; A268-N270 PolarHBondContact O-N 3.4Å; A268-N270 PolarHBondContact O-ND2 3.32Å; A268-D290 PolarHBondContact N-O 3.24Å; A268-R292 CarbonylContact C-O 3.43Å; A268-R292 WeakPolarHBondContact CA-O 3.41Å; A268-R292 HydrophobicContact CB-CB 4.21Å
269	R	96.3	Very high	94.8	Very high	102 Å²	102	40.4 Å²	40.4	39%	0.385	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	47.1	175.9	-63	-179.3	-65.4	-79.8	-7	113.3	D244 D245 R292 G293	D244-R269 IonicContact OD2-NH2 3.13Å; D244-R269 PolarHBondContact OD2-NH2 2.95Å; D245-R269 WeakPolarHBondContact CA-O 3.33Å; D245-R269 VanDerWaalsContact OD1-CD 3.3Å; D245-R269 WeakPolarHBondContact OD1-CD 3.3Å; D245-R269 IonicContact OD1-CZ 2.76Å; D245-R269 IonicContact OD1-NE 3.08Å; D245-R269 PolarHBondContact OD1-NE 3.39Å; D245-R269 IonicContact OD1-NH2 3.68Å; D245-R269 IonicContact OD2-CZ 3.86Å; D245-R269 VanDerWaalsContact OD2-CZ 3.23Å; D245-R269 IonicContact OD2-NE 3.56Å; D245-R269 PolarHBondContact OD2-NE 3.12Å; D245-R269 IonicContact OD2-NH2 3.74Å; D245-R269 PolarHBondContact OD2-NH2 3.29Å; R269-R292 PolarHBondContact N-O 3.04Å; R269-G293 WeakPolarHBondContact CA-O 3.29Å
270	N	98.6	Very high	95	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-105.6	-166.4	167.1	-85.6	-80.5	0	0	0	110.4	M243 N246 K247 L248 L267 A268 L272 N294	M243-N270 PolarHBondContact O-ND2 3.02Å; N246-N270 WeakPolarHBondContact CA-OD1 3.29Å; N246-N270 WeakPolarHBondContact CB-OD1 3.3Å; N246-N270 PolarHBondContact O-OD1 3.4Å; K247-N270 PolarHBondContact N-OD1 2.76Å; L248-N270 HydrophobicContact CB-CB 4.29Å; L248-N270 WeakPolarHBondContact CB-OD1 3.46Å; L248-N270 WeakPolarHBondContact CG-OD1 3.23Å; L248-N270 PolarHBondContact N-OD1 2.92Å; L248-N270 VanDerWaalsContact N-OD1 3.1Å; L267-N270 PolarHBondContact O-ND2 2.92Å; A268-N270 VanDerWaalsContact C-N 3.34Å; A268-N270 PolarHBondContact O-N 3.4Å; A268-N270 PolarHBondContact O-ND2 3.32Å; N270-L272 HydrophobicContact CB-CG 4.24Å; N270-N294 VanDerWaalsContact CA-OD1 3.26Å; N270-N294 WeakPolarHBondContact CA-OD1 3.36Å; N270-N294 WeakPolarHBondContact CB-OD1 3.44Å; N270-N294 PolarHBondContact N-OD1 2.93Å; N270-N294 PolarHBondContact O-OD1 2.73Å
271	H	97.8	Very high	94.9	Very high	60 Å²	60	41.2 Å²	41.2	28%	0.278	19%	0.192	S	C	.	.			trans	-110.7	24.2	178	-58.8	151	0	0	0	112.9	K247 L248 H273 N294 R295	K247-H271 PolarHBondContact O-ND1 3.31Å; K247-H271 VanDerWaalsContact O-ND1 3.14Å; L248-H271 CarbonylContact O-C 3.5Å; L248-H271 WeakPolarHBondContact O-CA 3.47Å; L248-H271 WeakPolarHBondContact O-CB 3.26Å; L248-H271 PolarHBondContact O-N 3.34Å; H271-H273 PolarHBondContact O-N 2.94Å; H271-H273 PolarHBondContact O-ND1 3.19Å; H271-N294 PolarHBondContact N-OD1 3.49Å; H271-R295 PolarHBondContact CD2-NH2 2.84Å; H271-R295 PolarHBondContact NE2-NH2 3.49Å; H271-R295 VanDerWaalsContact NE2-NH2 3.15Å
272	L	98	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.176	C	C	.	.			trans	-64.2	129.5	-179.8	-56.6	176.6	0	0	0	109.5	L248 L251 L267 N270 L275 L291 N294 R295 I296	L248-L272 HydrophobicContact CB-CD2 4.34Å; L248-L272 PolarHBondContact O-N 3.4Å; L251-L272 HydrophobicContact CD2-CD1 4.47Å; L251-L272 HydrophobicContact CD2-CD2 4.27Å; L251-L272 HydrophobicContact CG-CD1 4.43Å; L251-L272 HydrophobicContact CG-CD2 4.1Å; L267-L272 HydrophobicContact CB-CD1 4.37Å; L267-L272 HydrophobicContact CD1-CD1 4.49Å; N270-L272 HydrophobicContact CB-CG 4.24Å; L272-L275 HydrophobicContact CB-CD2 4.44Å; L272-L275 HydrophobicContact CD1-CD2 4.36Å; L272-L291 HydrophobicContact CD1-CD2 3.9Å; L272-N294 HydrophobicContact CB-CB 4.2Å; L272-N294 WeakPolarHBondContact CB-OD1 3.26Å; L272-N294 WeakPolarHBondContact CG-OD1 3.45Å; L272-N294 PolarHBondContact N-OD1 3.41Å; L272-R295 CarbonylContact O-C 3.57Å; L272-R295 VanDerWaalsContact O-C 3.22Å; L272-R295 VanDerWaalsContact O-CA 3.28Å; L272-R295 WeakPolarHBondContact O-CA 3.29Å; L272-R295 PolarHBondContact O-N 2.9Å; L272-I296 HydrophobicContact CB-CG1 4.34Å; L272-I296 PolarHBondContact O-N 3.06Å
273	H	95.9	Very high	94.8	Very high	104 Å²	104	37.7 Å²	37.7	48%	0.481	18%	0.176	S	C	.	.			trans	-125.9	-23.2	-175.6	57.3	-77.8	0	0	0	113.9	P249 H271 R295 G297	P249-H273 PolarHBondContact O-CE1 3.1Å; P249-H273 PolarHBondContact O-ND1 2.74Å; H271-H273 PolarHBondContact O-N 2.94Å; H271-H273 PolarHBondContact O-ND1 3.19Å; H273-R295 WeakPolarHBondContact CA-O 3.14Å; H273-R295 HydrophobicContact CB-CB 4.18Å; H273-G297 PolarHBondContact O-N 3.09Å
274	H	92.6	Very high	94.6	Very high	72 Å²	72	40 Å²	40	33%	0.333	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	127	176.8	-179.8	-74.8	0	0	0	108.8	E300	H274-E300 IonicContact CE1-OE1 3.91Å
275	L	94.7	Very high	94.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134	174.4	-49.9	174.5	0	0	0	110.1	L272 D279 F280 L291 I296 F299 E300 V303 F304	L272-L275 HydrophobicContact CB-CD2 4.44Å; L272-L275 HydrophobicContact CD1-CD2 4.36Å; L275-D279 VanDerWaalsContact CA-OD2 3.29Å; L275-D279 WeakPolarHBondContact CA-OD2 3.23Å; L275-F280 HydrophobicContact CD1-CE2 4.08Å; L275-F280 HydrophobicContact CD1-CZ 4.4Å; L275-F280 HydrophobicContact CD2-CZ 4.46Å; L275-L291 HydrophobicContact CD1-CD1 3.8Å; L275-I296 HydrophobicContact CD1-CD1 4Å; L275-I296 HydrophobicContact CD2-CD1 4.36Å; L275-I296 HydrophobicContact CG-CD1 4.29Å; L275-I296 HydrophobicContact CG-CG1 4.48Å; L275-F299 HydrophobicContact CB-CB 3.76Å; L275-F299 HydrophobicContact CD1-CB 4.31Å; L275-F299 HydrophobicContact CG-CB 4.25Å; L275-E300 PolarHBondContact O-N 3.46Å; L275-V303 HydrophobicContact CB-CG2 3.87Å; L275-F304 HydrophobicContact CD1-CE1 4.47Å; L275-F304 HydrophobicContact CD1-CZ 4.18Å
276	K	92.4	Very high	94.7	Very high	109 Å²	109	43.1 Å²	43.1	47%	0.474	20%	0.196	S	C	.	.			trans	-103.7	156.2	-179.8	-59.6	176.9	-176.9	173.2	0	110.9	S278 D279 V303	K276-S278 PolarHBondContact O-N 3.25Å; K276-D279 PolarHBondContact N-OD2 3.24Å; K276-D279 WeakPolarHBondContact O-CB 3.42Å; K276-D279 VanDerWaalsContact O-CG 3.31Å; K276-D279 PolarHBondContact O-N 3.39Å; K276-V303 WeakPolarHBondContact O-CG2 3.4Å
277	R	88.3	Confident	94.8	Very high	125 Å²	125	46.8 Å²	46.8	47%	0.472	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.4	178.3	-170	-175.8	-177.8	109.3	2.1	114.2	E300	R277-E300 WeakPolarHBondContact CB-OE2 3.42Å; R277-E300 PolarHBondContact N-OE2 3.46Å
278	S	89.8	Confident	94.7	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.3	179.5	49.5	0	0	0	0	114.2	K276 F280 L281	K276-S278 PolarHBondContact O-N 3.25Å; S278-F280 VanDerWaalsContact C-N 3.26Å; S278-F280 PolarHBondContact O-N 2.8Å; S278-F280 VanDerWaalsContact O-N 3.17Å; S278-L281 PolarHBondContact O-N 3.13Å
279	D	93.3	Very high	94.8	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.043	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.5	-165.5	-68	-6.5	0	0	0	113.2	L251 L275 K276	L251-D279 HydrophobicContact CD1-CB 3.99Å; L275-D279 VanDerWaalsContact CA-OD2 3.29Å; L275-D279 WeakPolarHBondContact CA-OD2 3.23Å; K276-D279 PolarHBondContact N-OD2 3.24Å; K276-D279 WeakPolarHBondContact O-CB 3.42Å; K276-D279 VanDerWaalsContact O-CG 3.31Å; K276-D279 PolarHBondContact O-N 3.39Å
280	F	94.1	Very high	94.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	19.4	-177.1	-47.7	-59.2	0	0	0	113.5	L251 L265 L267 L275 S278 N282 L283 L289 L291 V303 F304 L307	L251-F280 HydrophobicContact CD1-CE1 3.65Å; L251-F280 HydrophobicContact CD1-CZ 3.97Å; L265-F280 HydrophobicContact CD2-CD1 4.5Å; L265-F280 HydrophobicContact CD2-CE1 4.41Å; L267-F280 HydrophobicContact CD1-CE1 4.3Å; L275-F280 HydrophobicContact CD1-CE2 4.08Å; L275-F280 HydrophobicContact CD1-CZ 4.4Å; L275-F280 HydrophobicContact CD2-CZ 4.46Å; S278-F280 VanDerWaalsContact C-N 3.26Å; S278-F280 PolarHBondContact O-N 2.8Å; S278-F280 VanDerWaalsContact O-N 3.17Å; F280-N282 VanDerWaalsContact C-N 3.29Å; F280-N282 PolarHBondContact O-N 2.94Å; F280-L283 HydrophobicContact CB-CD1 4.16Å; F280-L283 HydrophobicContact CD1-CD1 3.86Å; F280-L283 HydrophobicContact CG-CD1 4.48Å; F280-L283 PolarHBondContact O-N 3.42Å; F280-L289 HydrophobicContact CD1-CD2 4.48Å; F280-L289 HydrophobicContact CD2-CD2 4.35Å; F280-L289 HydrophobicContact CE1-CD1 4.17Å; F280-L289 HydrophobicContact CE1-CD2 4.22Å; F280-L289 HydrophobicContact CE2-CD2 4.09Å; F280-L289 HydrophobicContact CZ-CD1 4.47Å; F280-L289 HydrophobicContact CZ-CD2 4.02Å; F280-L291 HydrophobicContact CZ-CD1 4.19Å; F280-L291 HydrophobicContact CZ-CD2 4.26Å; F280-V303 HydrophobicContact CD2-CG2 4Å; F280-V303 HydrophobicContact CE2-CG2 4.13Å; F280-F304 HydrophobicContact CD2-CD1 4.08Å; F280-F304 HydrophobicContact CD2-CE1 4.09Å; F280-F304 HydrophobicContact CE2-CD1 4.24Å; F280-F304 AromaticContact CE2-CE1 3.76Å; F280-F304 HydrophobicContact CE2-CE1 3.76Å; F280-L307 HydrophobicContact CB-CD1 4.22Å; F280-L307 HydrophobicContact CB-CD2 4.08Å; F280-L307 HydrophobicContact CB-CG 4.44Å
281	L	91.4	Very high	94.8	Very high	70 Å²	70	43.5 Å²	43.5	37%	0.366	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.9	-170.2	-174.3	73.5	0	0	0	113.6	S278 R306	S278-L281 PolarHBondContact O-N 3.13Å; L281-R306 HydrophobicContact CD1-CG 4Å; L281-R306 WeakPolarHBondContact O-CB 3.44Å
282	N	92.9	Very high	94.7	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.2	-171	-66.9	-17.2	0	0	0	113.7	F256 E258 N260 F280 Q284	F256-N282 WeakPolarHBondContact O-CB 3.35Å; F256-N282 PolarHBondContact O-ND2 3.26Å; E258-N282 HydrophobicContact CG-CB 4.49Å; E258-N282 WeakPolarHBondContact CG-OD1 3.22Å; N260-N282 PolarHBondContact ND2-O 3.4Å; F280-N282 VanDerWaalsContact C-N 3.29Å; F280-N282 PolarHBondContact O-N 2.94Å; N282-Q284 PolarHBondContact O-N 2.66Å; N282-Q284 PolarHBondContact O-OE1 2.91Å
283	L	95	Very high	94.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.201	C	C	.	.			trans	-95.9	47.9	-174.6	-67.8	178.9	0	0	0	112.2	F256 L262 L265 F280 K285 L286 L307	F256-L283 HydrophobicContact CB-CD2 4.08Å; F256-L283 HydrophobicContact CD2-CD1 4.37Å; F256-L283 HydrophobicContact CD2-CD2 3.61Å; F256-L283 HydrophobicContact CD2-CG 4.28Å; F256-L283 HydrophobicContact CE2-CD2 4.13Å; F256-L283 HydrophobicContact CG-CD2 3.84Å; L262-L283 HydrophobicContact CB-CD2 4.12Å; L262-L283 HydrophobicContact CD2-CD2 3.77Å; L265-L283 HydrophobicContact CD2-CD1 3.68Å; F280-L283 HydrophobicContact CB-CD1 4.16Å; F280-L283 HydrophobicContact CD1-CD1 3.86Å; F280-L283 HydrophobicContact CG-CD1 4.48Å; F280-L283 PolarHBondContact O-N 3.42Å; L283-K285 PolarHBondContact O-N 3.37Å; L283-K285 VanDerWaalsContact O-N 3.14Å; L283-L286 HydrophobicContact CB-CB 4.08Å; L283-L286 HydrophobicContact CB-CD2 4.35Å; L283-L286 HydrophobicContact CD1-CD2 4.12Å; L283-L286 VanDerWaalsContact O-CB 3.23Å; L283-L286 WeakPolarHBondContact O-CB 3.26Å; L283-L286 PolarHBondContact O-N 3.43Å; L283-L286 VanDerWaalsContact O-N 3.08Å; L283-L307 HydrophobicContact CB-CD2 3.7Å; L283-L307 VanDerWaalsContact O-CD2 3.27Å; L283-L307 WeakPolarHBondContact O-CD2 3.48Å
284	Q	93.9	Very high	94.7	Very high	72 Å²	72	37.4 Å²	37.4	34%	0.336	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.3	-170.7	-53.8	89.3	-4.4	0	0	113.8	N282 N309	N282-Q284 PolarHBondContact O-N 2.66Å; N282-Q284 PolarHBondContact O-OE1 2.91Å; Q284-N309 PolarHBondContact O-ND2 2.8Å
285	K	96.5	Very high	95	Very high	108 Å²	108	39.9 Å²	39.9	47%	0.47	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6	175.9	-66	-63.8	-172.4	174.9	0	113.9	L262 L283 Q287	L262-K285 CarbonylContact O-C 3.14Å; L262-K285 VanDerWaalsContact O-C 3.25Å; L283-K285 PolarHBondContact O-N 3.37Å; L283-K285 VanDerWaalsContact O-N 3.14Å; K285-Q287 PolarHBondContact O-N 3.06Å
286	L	98.2	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.			trans	-65.7	128	-173.9	-160.9	75.3	0	0	0	111.7	L262 L265 L283 L289 L307 N309 L310	L262-L286 HydrophobicContact CD2-CD1 4.21Å; L262-L286 HydrophobicContact CG-CD1 4.26Å; L262-L286 WeakPolarHBondContact O-CA 3.31Å; L262-L286 PolarHBondContact O-N 2.87Å; L265-L286 HydrophobicContact CB-CD1 3.63Å; L265-L286 HydrophobicContact CB-CD2 4.41Å; L283-L286 HydrophobicContact CB-CB 4.08Å; L283-L286 HydrophobicContact CB-CD2 4.35Å; L283-L286 HydrophobicContact CD1-CD2 4.12Å; L283-L286 VanDerWaalsContact O-CB 3.23Å; L283-L286 WeakPolarHBondContact O-CB 3.26Å; L283-L286 PolarHBondContact O-N 3.43Å; L283-L286 VanDerWaalsContact O-N 3.08Å; L286-L289 HydrophobicContact CD2-CB 3.92Å; L286-L289 HydrophobicContact CD2-CD1 4.27Å; L286-L289 HydrophobicContact CD2-CD2 4.42Å; L286-L289 HydrophobicContact CD2-CG 4.43Å; L286-L307 HydrophobicContact CB-CD2 4.28Å; L286-L307 HydrophobicContact CD2-CD1 4.36Å; L286-L307 HydrophobicContact CD2-CD2 4.23Å; L286-N309 CarbonylContact O-C 3.57Å; L286-L310 HydrophobicContact CD2-CD1 4.15Å; L286-L310 HydrophobicContact CG-CD1 4.28Å; L286-L310 WeakPolarHBondContact O-CA 3.49Å; L286-L310 PolarHBondContact O-N 3.46Å; L286-L310 VanDerWaalsContact O-N 3.16Å
287	Q	98.2	Very high	95.2	Very high	77 Å²	77	36.1 Å²	36.1	36%	0.36	18%	0.178	S	C	.	.			trans	-107.7	-37.3	177.6	-64.5	-178.4	-57.9	0	0	111.9	S263 K285 N309 E311 V312	S263-Q287 PolarHBondContact O-N 3.3Å; K285-Q287 PolarHBondContact O-N 3.06Å; Q287-N309 WeakPolarHBondContact CA-O 3.16Å; Q287-E311 PolarHBondContact NE2-OE1 3.35Å; Q287-E311 WeakPolarHBondContact O-CA 3.44Å; Q287-E311 PolarHBondContact O-N 3.49Å; Q287-V312 PolarHBondContact O-N 2.9Å
288	E	96.3	Very high	95.2	Very high	36 Å²	36	34 Å²	34	17%	0.168	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.1	178.4	-179.6	174.3	133.2	0	0	111.2	R138 S263 I264 L265 V312 Y314	R138-E288 IonicContact CZ-OE1 3.3Å; R138-E288 IonicContact NE-OE1 3.91Å; R138-E288 IonicContact NH2-OE1 3.16Å; R138-E288 PolarHBondContact NH2-OE1 3.2Å; S263-E288 PolarHBondContact O-N 3.09Å; I264-E288 HydrophobicContact CB-CB 4.49Å; I264-E288 HydrophobicContact CG1-CB 4.14Å; I264-E288 HydrophobicContact CG2-CB 4.22Å; I264-E288 HydrophobicContact CG2-CG 4.41Å; L265-E288 PolarHBondContact N-O 3.18Å; E288-V312 WeakPolarHBondContact CA-O 3.42Å; E288-V312 HydrophobicContact CB-CB 4.27Å; E288-V312 HydrophobicContact CG-CB 4.05Å; E288-V312 HydrophobicContact CG-CG1 4.13Å; E288-Y314 HydrophobicContact CG-CE2 4.22Å
289	L	97.7	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.4	173.2	-179.9	56.9	0	0	0	110.1	L265 F280 L286 L291 F304 L307 L310 V312 L313 Y314	L265-L289 HydrophobicContact CB-CD1 4.19Å; L265-L289 HydrophobicContact CD2-CD1 4.07Å; L265-L289 HydrophobicContact CG-CD1 4.12Å; F280-L289 HydrophobicContact CD1-CD2 4.48Å; F280-L289 HydrophobicContact CD2-CD2 4.35Å; F280-L289 HydrophobicContact CE1-CD1 4.17Å; F280-L289 HydrophobicContact CE1-CD2 4.22Å; F280-L289 HydrophobicContact CE2-CD2 4.09Å; F280-L289 HydrophobicContact CZ-CD1 4.47Å; F280-L289 HydrophobicContact CZ-CD2 4.02Å; L286-L289 HydrophobicContact CD2-CB 3.92Å; L286-L289 HydrophobicContact CD2-CD1 4.27Å; L286-L289 HydrophobicContact CD2-CD2 4.42Å; L286-L289 HydrophobicContact CD2-CG 4.43Å; L289-L291 HydrophobicContact CD1-CD1 4.48Å; L289-L291 HydrophobicContact CD1-CD2 4.47Å; L289-L291 HydrophobicContact CD1-CG 4.17Å; L289-L291 HydrophobicContact CD2-CD1 3.92Å; L289-L291 HydrophobicContact CD2-CG 4.47Å; L289-L291 HydrophobicContact CG-CD1 4.02Å; L289-L291 HydrophobicContact CG-CG 4.06Å; L289-F304 HydrophobicContact CD2-CD1 4.14Å; L289-F304 HydrophobicContact CD2-CE1 3.85Å; L289-L307 HydrophobicContact CD2-CD1 4.21Å; L289-L310 HydrophobicContact CB-CD1 3.87Å; L289-V312 PolarHBondContact N-O 3.45Å; L289-L313 HydrophobicContact CB-CD1 4.01Å; L289-L313 HydrophobicContact CD2-CD1 3.99Å; L289-L313 HydrophobicContact CG-CD1 4.04Å; L289-Y314 PolarHBondContact O-N 3.37Å
290	D	96	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.8	-179.8	-175.6	-4.7	0	0	0	111	R138 L265 I266 L267 A268 R292 Y314	R138-D290 IonicContact CZ-OD2 2.65Å; R138-D290 IonicContact NH1-OD2 2.7Å; R138-D290 PolarHBondContact NH1-OD2 2.94Å; L265-D290 PolarHBondContact O-N 2.92Å; I266-D290 HydrophobicContact CB-CB 4.42Å; I266-D290 HydrophobicContact CD1-CB 3.52Å; I266-D290 HydrophobicContact CG2-CB 4.08Å; L267-D290 CarbonylContact C-O 3.52Å; L267-D290 WeakPolarHBondContact CA-O 3.49Å; L267-D290 PolarHBondContact N-O 3.01Å; A268-D290 PolarHBondContact N-O 3.24Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 WeakPolarHBondContact OD1-CD 3.29Å; D290-R292 WeakPolarHBondContact OD1-CG 3.47Å; D290-R292 IonicContact OD1-CZ 3.87Å; D290-R292 PolarHBondContact OD1-N 3.41Å; D290-R292 VanDerWaalsContact OD1-N 3.11Å; D290-R292 IonicContact OD1-NE 3.93Å; D290-R292 PolarHBondContact OD1-NE 3.35Å; D290-R292 IonicContact OD1-NH2 2.66Å; D290-R292 IonicContact OD2-CZ 3.26Å; D290-R292 VanDerWaalsContact OD2-CZ 3.29Å; D290-R292 IonicContact OD2-NE 3.86Å; D290-R292 PolarHBondContact OD2-NE 3.37Å; D290-R292 VanDerWaalsContact OD2-NE 3.12Å; D290-R292 IonicContact OD2-NH2 3.06Å; D290-R292 PolarHBondContact OD2-NH2 3.3Å; D290-Y314 HydrophobicContact CB-CD2 3.88Å
291	L	97.7	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.			trans	-114.2	20.9	179.2	-67.4	164.4	0	0	0	111.8	L267 L272 L275 F280 L289 N294 I296 F304 Y314 L315 N318	L267-L291 HydrophobicContact CB-CD2 3.96Å; L267-L291 HydrophobicContact CD1-CD2 3.98Å; L272-L291 HydrophobicContact CD1-CD2 3.9Å; L275-L291 HydrophobicContact CD1-CD1 3.8Å; F280-L291 HydrophobicContact CZ-CD1 4.19Å; F280-L291 HydrophobicContact CZ-CD2 4.26Å; L289-L291 HydrophobicContact CD1-CD1 4.48Å; L289-L291 HydrophobicContact CD1-CD2 4.47Å; L289-L291 HydrophobicContact CD1-CG 4.17Å; L289-L291 HydrophobicContact CD2-CD1 3.92Å; L289-L291 HydrophobicContact CD2-CG 4.47Å; L289-L291 HydrophobicContact CG-CD1 4.02Å; L289-L291 HydrophobicContact CG-CG 4.06Å; L291-N294 PolarHBondContact O-ND2 2.96Å; L291-I296 HydrophobicContact CB-CD1 4.03Å; L291-I296 HydrophobicContact CD1-CD1 4.44Å; L291-F304 HydrophobicContact CD1-CE1 4.22Å; L291-F304 HydrophobicContact CD1-CZ 4.38Å; L291-Y314 WeakPolarHBondContact CA-O 3.01Å; L291-Y314 WeakPolarHBondContact CB-O 3.07Å; L291-Y314 PolarHBondContact N-O 3.42Å; L291-L315 HydrophobicContact CB-CD2 4.02Å; L291-L315 HydrophobicContact CD1-CD2 3.92Å; L291-N318 PolarHBondContact O-ND2 3.13Å
292	R	95.9	Very high	94.1	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	151.4	-174.9	-66.5	176.9	-66.1	159.8	15.4	112.9	H135 R138 A268 R269 D290 N294 Y314 N316	H135-R292 PolarHBondContact O-NH1 3.38Å; R138-R292 VanDerWaalsContact CB-NH2 3.35Å; A268-R292 CarbonylContact C-O 3.43Å; A268-R292 WeakPolarHBondContact CA-O 3.41Å; A268-R292 HydrophobicContact CB-CB 4.21Å; R269-R292 PolarHBondContact N-O 3.04Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 WeakPolarHBondContact OD1-CD 3.29Å; D290-R292 WeakPolarHBondContact OD1-CG 3.47Å; D290-R292 IonicContact OD1-CZ 3.87Å; D290-R292 PolarHBondContact OD1-N 3.41Å; D290-R292 VanDerWaalsContact OD1-N 3.11Å; D290-R292 IonicContact OD1-NE 3.93Å; D290-R292 PolarHBondContact OD1-NE 3.35Å; D290-R292 IonicContact OD1-NH2 2.66Å; D290-R292 IonicContact OD2-CZ 3.26Å; D290-R292 VanDerWaalsContact OD2-CZ 3.29Å; D290-R292 IonicContact OD2-NE 3.86Å; D290-R292 PolarHBondContact OD2-NE 3.37Å; D290-R292 VanDerWaalsContact OD2-NE 3.12Å; D290-R292 IonicContact OD2-NH2 3.06Å; D290-R292 PolarHBondContact OD2-NH2 3.3Å; R292-N294 PolarHBondContact O-N 3.2Å; R292-N294 PolarHBondContact O-ND2 2.91Å; R292-Y314 HydrophobicContact CG-CG 4.29Å; R292-N316 CarbonylContact C-O 3.57Å; R292-N316 VanDerWaalsContact CA-O 3.22Å; R292-N316 WeakPolarHBondContact CA-O 3.3Å; R292-N316 VanDerWaalsContact CD-CG 3.41Å; R292-N316 WeakPolarHBondContact CD-ND2 3.49Å; R292-N316 WeakPolarHBondContact CD-OD1 3.15Å; R292-N316 VanDerWaalsContact CG-CG 3.42Å; R292-N316 WeakPolarHBondContact CG-ND2 3.43Å; R292-N316 WeakPolarHBondContact CG-OD1 3.34Å
293	G	95.9	Very high	94	Very high	21 Å²	21	37.9 Å²	37.9	22%	0.216	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	24.1	171.1	0	0	0	0	0	114.3	R269 N316 E317	R269-G293 WeakPolarHBondContact CA-O 3.29Å; G293-N316 PolarHBondContact N-O 3.37Å; G293-E317 CarbonylContact C-O 3.16Å; G293-E317 WeakPolarHBondContact CA-O 3.42Å; G293-E317 PolarHBondContact N-O 2.86Å
294	N	98.5	Very high	94	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	20%	0.197	C	C	.	.	S	Bend	trans	-92.7	-165.2	172.6	-83.3	-78.4	0	0	0	109.9	L267 N270 H271 L272 L291 R292 I296 N318	L267-N294 PolarHBondContact O-ND2 2.84Å; N270-N294 VanDerWaalsContact CA-OD1 3.26Å; N270-N294 WeakPolarHBondContact CA-OD1 3.36Å; N270-N294 WeakPolarHBondContact CB-OD1 3.44Å; N270-N294 PolarHBondContact N-OD1 2.93Å; N270-N294 PolarHBondContact O-OD1 2.73Å; H271-N294 PolarHBondContact N-OD1 3.49Å; L272-N294 HydrophobicContact CB-CB 4.2Å; L272-N294 WeakPolarHBondContact CB-OD1 3.26Å; L272-N294 WeakPolarHBondContact CG-OD1 3.45Å; L272-N294 PolarHBondContact N-OD1 3.41Å; L291-N294 PolarHBondContact O-ND2 2.96Å; R292-N294 PolarHBondContact O-N 3.2Å; R292-N294 PolarHBondContact O-ND2 2.91Å; N294-I296 HydrophobicContact CB-CD1 3.98Å; N294-I296 HydrophobicContact CB-CG1 3.99Å; N294-N318 WeakPolarHBondContact CA-OD1 3.23Å; N294-N318 WeakPolarHBondContact CB-OD1 3.4Å; N294-N318 PolarHBondContact N-OD1 3.26Å; N294-N318 PolarHBondContact O-OD1 3.43Å
295	R	97.7	Very high	94	Very high	123 Å²	123	35 Å²	35	46%	0.464	19%	0.186	S	C	.	.			trans	-117.1	26.5	-179.9	-59.4	177.2	-175.3	161.1	4.4	111.5	H271 L272 H273 G297 N318	H271-R295 PolarHBondContact CD2-NH2 2.84Å; H271-R295 PolarHBondContact NE2-NH2 3.49Å; H271-R295 VanDerWaalsContact NE2-NH2 3.15Å; L272-R295 CarbonylContact O-C 3.57Å; L272-R295 VanDerWaalsContact O-C 3.22Å; L272-R295 VanDerWaalsContact O-CA 3.28Å; L272-R295 WeakPolarHBondContact O-CA 3.29Å; L272-R295 PolarHBondContact O-N 2.9Å; H273-R295 WeakPolarHBondContact CA-O 3.14Å; H273-R295 HydrophobicContact CB-CB 4.18Å; R295-G297 PolarHBondContact O-N 3.34Å; R295-N318 PolarHBondContact N-OD1 3.45Å
296	I	97.5	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.			trans	-69.5	107.5	-170.9	-58.9	160.8	0	0	0	108.9	L272 L275 L291 N294 F299 L315 N318 H319 L320	L272-I296 HydrophobicContact CB-CG1 4.34Å; L272-I296 PolarHBondContact O-N 3.06Å; L275-I296 HydrophobicContact CD1-CD1 4Å; L275-I296 HydrophobicContact CD2-CD1 4.36Å; L275-I296 HydrophobicContact CG-CD1 4.29Å; L275-I296 HydrophobicContact CG-CG1 4.48Å; L291-I296 HydrophobicContact CB-CD1 4.03Å; L291-I296 HydrophobicContact CD1-CD1 4.44Å; N294-I296 HydrophobicContact CB-CD1 3.98Å; N294-I296 HydrophobicContact CB-CG1 3.99Å; I296-F299 HydrophobicContact CG2-CD1 3.95Å; I296-L315 HydrophobicContact CD1-CD2 4.19Å; I296-N318 HydrophobicContact CB-CB 4.29Å; I296-N318 VanDerWaalsContact CB-OD1 3.28Å; I296-N318 WeakPolarHBondContact CB-OD1 3.34Å; I296-N318 WeakPolarHBondContact CG1-OD1 3.31Å; I296-N318 PolarHBondContact N-OD1 2.87Å; I296-H319 CarbonylContact O-C 3.36Å; I296-H319 WeakPolarHBondContact O-CA 3.23Å; I296-H319 PolarHBondContact O-N 3.35Å; I296-L320 HydrophobicContact CG2-CD2 4.42Å; I296-L320 PolarHBondContact O-N 3.47Å
297	G	93.6	Very high	93.7	Very high	32 Å²	32	37.1 Å²	37.1	33%	0.33	19%	0.191	S	C	.	.	S	Bend	trans	-96.2	-27.7	173.8	0	0	0	0	0	113	H273 R295	H273-G297 PolarHBondContact O-N 3.09Å; R295-G297 PolarHBondContact O-N 3.34Å
298	N	89.2	Confident	93.5	Very high	81 Å²	81	36.1 Å²	36.1	43%	0.433	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.7	176.7	-161	25.1	0	0	0	110.4	R327	N298-R327 PolarHBondContact OD1-NH1 2.81Å
299	F	92.8	Very high	93.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153	171	47.1	-99.6	0	0	0	109	L275 I296 V303 F304 L315 L320 R327 F328	L275-F299 HydrophobicContact CB-CB 3.76Å; L275-F299 HydrophobicContact CD1-CB 4.31Å; L275-F299 HydrophobicContact CG-CB 4.25Å; I296-F299 HydrophobicContact CG2-CD1 3.95Å; F299-V303 HydrophobicContact CB-CG1 4.08Å; F299-V303 HydrophobicContact CD2-CG1 3.45Å; F299-V303 VanDerWaalsContact CD2-CG1 3.45Å; F299-V303 HydrophobicContact CE2-CG1 4.1Å; F299-V303 HydrophobicContact CG-CG1 4.02Å; F299-F304 HydrophobicContact CD2-CE2 4.22Å; F299-F304 HydrophobicContact CE1-CE2 4.48Å; F299-F304 HydrophobicContact CE2-CD2 4.44Å; F299-F304 AromaticContact CE2-CE2 3.83Å; F299-F304 HydrophobicContact CE2-CE2 3.83Å; F299-F304 AromaticContact CZ-CE2 3.97Å; F299-F304 HydrophobicContact CZ-CE2 3.97Å; F299-L315 HydrophobicContact CE1-CD1 4.49Å; F299-L320 HydrophobicContact CD1-CD2 4.27Å; F299-L320 HydrophobicContact CE1-CD1 4.48Å; F299-L320 HydrophobicContact CE1-CD2 3.9Å; F299-R327 HydrophobicContact CD2-CG 4.44Å; F299-R327 HydrophobicContact CE1-CG 4.36Å; F299-R327 HydrophobicContact CE2-CG 3.46Å; F299-R327 VanDerWaalsContact CE2-CG 3.46Å; F299-R327 VanDerWaalsContact CE2-O 3.31Å; F299-R327 WeakPolarHBondContact CE2-O 3.28Å; F299-R327 HydrophobicContact CZ-CG 3.4Å; F299-R327 VanDerWaalsContact CZ-CG 3.4Å; F299-F328 HydrophobicContact CZ-CD1 4.48Å; F299-F328 AromaticContact CZ-CE1 3.97Å; F299-F328 HydrophobicContact CZ-CE1 3.97Å; F299-F328 HydrophobicContact CZ-CZ 4.3Å
300	E	88.8	Confident	93.6	Very high	78 Å²	78	37.2 Å²	37.2	36%	0.364	20%	0.199	S	C	.	.			trans	-61.3	149	179.9	-73.2	175.4	-170.5	0	0	111.9	H274 L275 R277 E302 V303	H274-E300 IonicContact CE1-OE1 3.91Å; L275-E300 PolarHBondContact O-N 3.46Å; R277-E300 WeakPolarHBondContact CB-OE2 3.42Å; R277-E300 PolarHBondContact N-OE2 3.46Å; E300-E302 PolarHBondContact O-N 2.95Å; E300-V303 WeakPolarHBondContact O-CB 3.47Å; E300-V303 PolarHBondContact O-N 3Å
301	A	79.4	Confident	93.6	Very high	64 Å²	64	40.3 Å²	40.3	53%	0.529	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	141.4	172.6	0	0	0	0	0	110.1	V303	A301-V303 PolarHBondContact O-N 3.46Å
302	E	84.1	Confident	93.6	Very high	73 Å²	73	40.9 Å²	40.9	34%	0.341	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	17.6	179.3	-55	-68	136.2	0	0	114.9	E300 F304 A305 P329	E300-E302 PolarHBondContact O-N 2.95Å; E302-F304 PolarHBondContact O-N 2.89Å; E302-A305 HydrophobicContact CB-CB 3.71Å; E302-A305 HydrophobicContact CG-CB 4.47Å; E302-A305 WeakPolarHBondContact O-CB 3.42Å; E302-A305 PolarHBondContact O-N 3.48Å; E302-A305 WeakPolarHBondContact OE2-CB 3.21Å; E302-P329 WeakPolarHBondContact OE2-CB 3.28Å
303	V	92.2	Very high	93.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.7	177.9	66.4	0	0	0	0	113.5	L275 K276 F280 F299 E300 A301	L275-V303 HydrophobicContact CB-CG2 3.87Å; K276-V303 WeakPolarHBondContact O-CG2 3.4Å; F280-V303 HydrophobicContact CD2-CG2 4Å; F280-V303 HydrophobicContact CE2-CG2 4.13Å; F299-V303 HydrophobicContact CB-CG1 4.08Å; F299-V303 HydrophobicContact CD2-CG1 3.45Å; F299-V303 VanDerWaalsContact CD2-CG1 3.45Å; F299-V303 HydrophobicContact CE2-CG1 4.1Å; F299-V303 HydrophobicContact CG-CG1 4.02Å; E300-V303 WeakPolarHBondContact O-CB 3.47Å; E300-V303 PolarHBondContact O-N 3Å; A301-V303 PolarHBondContact O-N 3.46Å
304	F	95	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.5	177.6	-52.8	-61.2	0	0	0	113.1	L275 F280 L289 L291 F299 E302 R306 L307 L313 L315 P329 L332	L275-F304 HydrophobicContact CD1-CE1 4.47Å; L275-F304 HydrophobicContact CD1-CZ 4.18Å; F280-F304 HydrophobicContact CD2-CD1 4.08Å; F280-F304 HydrophobicContact CD2-CE1 4.09Å; F280-F304 HydrophobicContact CE2-CD1 4.24Å; F280-F304 AromaticContact CE2-CE1 3.76Å; F280-F304 HydrophobicContact CE2-CE1 3.76Å; L289-F304 HydrophobicContact CD2-CD1 4.14Å; L289-F304 HydrophobicContact CD2-CE1 3.85Å; L291-F304 HydrophobicContact CD1-CE1 4.22Å; L291-F304 HydrophobicContact CD1-CZ 4.38Å; F299-F304 HydrophobicContact CD2-CE2 4.22Å; F299-F304 HydrophobicContact CE1-CE2 4.48Å; F299-F304 HydrophobicContact CE2-CD2 4.44Å; F299-F304 AromaticContact CE2-CE2 3.83Å; F299-F304 HydrophobicContact CE2-CE2 3.83Å; F299-F304 AromaticContact CZ-CE2 3.97Å; F299-F304 HydrophobicContact CZ-CE2 3.97Å; E302-F304 PolarHBondContact O-N 2.89Å; F304-R306 PolarHBondContact O-N 2.66Å; F304-R306 VanDerWaalsContact O-N 3.14Å; F304-L307 HydrophobicContact CB-CD1 4.19Å; F304-L307 HydrophobicContact CD1-CD1 3.94Å; F304-L307 WeakPolarHBondContact O-CB 3.46Å; F304-L307 PolarHBondContact O-N 3.39Å; F304-L307 VanDerWaalsContact O-N 3.14Å; F304-L313 HydrophobicContact CD2-CD2 4.35Å; F304-L313 HydrophobicContact CE1-CD1 4.34Å; F304-L313 HydrophobicContact CE2-CD2 4.2Å; F304-L313 HydrophobicContact CZ-CD1 4.48Å; F304-L313 HydrophobicContact CZ-CD2 4.34Å; F304-L315 HydrophobicContact CZ-CD1 4.49Å; F304-P329 HydrophobicContact CB-CG 3.95Å; F304-L332 HydrophobicContact CB-CD1 4.07Å; F304-L332 HydrophobicContact CB-CD2 4.26Å
305	A	92.5	Very high	93.6	Very high	13 Å²	13	39.5 Å²	39.5	11%	0.107	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.8	-166.3	0	0	0	0	0	114.1	E302 P329 T331	E302-A305 HydrophobicContact CB-CB 3.71Å; E302-A305 HydrophobicContact CG-CB 4.47Å; E302-A305 WeakPolarHBondContact O-CB 3.42Å; E302-A305 PolarHBondContact O-N 3.48Å; E302-A305 WeakPolarHBondContact OE2-CB 3.21Å; A305-P329 HydrophobicContact CB-CB 4Å; A305-P329 HydrophobicContact CB-CG 4.3Å; A305-T331 WeakPolarHBondContact CA-OG1 3.31Å; A305-T331 PolarHBondContact O-OG1 2.99Å
306	R	92.7	Very high	93.5	Very high	152 Å²	152	33.7 Å²	33.7	57%	0.574	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	18.4	179.7	-62.5	-58	-167.9	169.7	2	113.9	L281 F304 P308	L281-R306 HydrophobicContact CD1-CG 4Å; L281-R306 WeakPolarHBondContact O-CB 3.44Å; F304-R306 PolarHBondContact O-N 2.66Å; F304-R306 VanDerWaalsContact O-N 3.14Å; R306-P308 WeakPolarHBondContact O-CD 3.13Å
307	L	96	Very high	93.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.			trans	-110.5	63.4	177.7	-52.3	178.9	0	0	0	111.4	F280 L283 L286 L289 F304 N309 L310 L332	F280-L307 HydrophobicContact CB-CD1 4.22Å; F280-L307 HydrophobicContact CB-CD2 4.08Å; F280-L307 HydrophobicContact CB-CG 4.44Å; L283-L307 HydrophobicContact CB-CD2 3.7Å; L283-L307 VanDerWaalsContact O-CD2 3.27Å; L283-L307 WeakPolarHBondContact O-CD2 3.48Å; L286-L307 HydrophobicContact CB-CD2 4.28Å; L286-L307 HydrophobicContact CD2-CD1 4.36Å; L286-L307 HydrophobicContact CD2-CD2 4.23Å; L289-L307 HydrophobicContact CD2-CD1 4.21Å; F304-L307 HydrophobicContact CB-CD1 4.19Å; F304-L307 HydrophobicContact CD1-CD1 3.94Å; F304-L307 WeakPolarHBondContact O-CB 3.46Å; F304-L307 PolarHBondContact O-N 3.39Å; F304-L307 VanDerWaalsContact O-N 3.14Å; L307-N309 PolarHBondContact O-N 2.99Å; L307-L310 HydrophobicContact CB-CB 3.97Å; L307-L310 HydrophobicContact CB-CD2 4.4Å; L307-L310 HydrophobicContact CD1-CD1 4.46Å; L307-L310 HydrophobicContact CD1-CD2 4.08Å; L307-L310 WeakPolarHBondContact O-CB 3.25Å; L307-L310 PolarHBondContact O-N 3.35Å; L307-L332 HydrophobicContact CB-CD2 4.22Å; L307-L332 WeakPolarHBondContact O-CD2 3.41Å
308	P	94	Very high	93.6	Very high	56 Å²	56	36.3 Å²	36.3	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.4	-173	29.7	-37.2	0	0	0	113.5	R306 N334	R306-P308 WeakPolarHBondContact O-CD 3.13Å; P308-N334 PolarHBondContact O-ND2 2.63Å
309	N	97.3	Very high	94	Very high	59 Å²	59	36.3 Å²	36.3	32%	0.316	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5	-179.6	-64.5	-43.5	0	0	0	113.2	Q284 L286 Q287 L307 E311	Q284-N309 PolarHBondContact O-ND2 2.8Å; L286-N309 CarbonylContact O-C 3.57Å; Q287-N309 WeakPolarHBondContact CA-O 3.16Å; L307-N309 PolarHBondContact O-N 2.99Å; N309-E311 PolarHBondContact O-N 2.91Å
310	L	98.3	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-66.3	124.9	-177.7	-162.3	71.5	0	0	0	110.6	L286 L289 L307 L313 L332 N334 L335	L286-L310 HydrophobicContact CD2-CD1 4.15Å; L286-L310 HydrophobicContact CG-CD1 4.28Å; L286-L310 WeakPolarHBondContact O-CA 3.49Å; L286-L310 PolarHBondContact O-N 3.46Å; L286-L310 VanDerWaalsContact O-N 3.16Å; L289-L310 HydrophobicContact CB-CD1 3.87Å; L307-L310 HydrophobicContact CB-CB 3.97Å; L307-L310 HydrophobicContact CB-CD2 4.4Å; L307-L310 HydrophobicContact CD1-CD1 4.46Å; L307-L310 HydrophobicContact CD1-CD2 4.08Å; L307-L310 WeakPolarHBondContact O-CB 3.25Å; L307-L310 PolarHBondContact O-N 3.35Å; L310-L313 HydrophobicContact CD2-CB 4.14Å; L310-L313 HydrophobicContact CD2-CD1 4.45Å; L310-L313 HydrophobicContact CD2-CD2 4.42Å; L310-L332 HydrophobicContact CB-CD2 4.07Å; L310-L332 HydrophobicContact CD2-CD2 4.06Å; L310-N334 CarbonylContact O-C 3.48Å; L310-L335 HydrophobicContact CD2-CD1 4.13Å; L310-L335 HydrophobicContact CG-CD1 4.09Å; L310-L335 VanDerWaalsContact O-CA 3.28Å; L310-L335 WeakPolarHBondContact O-CA 3.5Å; L310-L335 PolarHBondContact O-N 3.42Å
311	E	97.7	Very high	94.5	Very high	65 Å²	65	37.7 Å²	37.7	30%	0.304	19%	0.188	S	C	.	.			trans	-109.8	-37.7	-176.6	-76.3	172.2	-147.8	0	0	111.1	Q287 N309 N334 H336 T337	Q287-E311 PolarHBondContact NE2-OE1 3.35Å; Q287-E311 WeakPolarHBondContact O-CA 3.44Å; Q287-E311 PolarHBondContact O-N 3.49Å; N309-E311 PolarHBondContact O-N 2.91Å; E311-N334 HydrophobicContact CG-CB 4.38Å; E311-H336 PolarHBondContact O-N 2.86Å; E311-H336 IonicContact OE2-NE2 2.64Å; E311-T337 PolarHBondContact O-N 3.34Å; E311-T337 VanDerWaalsContact O-N 3.09Å
312	V	95.9	Very high	95.2	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.073	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.4	-177	-178.6	0	0	0	0	110.8	Q287 E288 L289 Y314 H336 T337	Q287-V312 PolarHBondContact O-N 2.9Å; E288-V312 WeakPolarHBondContact CA-O 3.42Å; E288-V312 HydrophobicContact CB-CB 4.27Å; E288-V312 HydrophobicContact CG-CB 4.05Å; E288-V312 HydrophobicContact CG-CG1 4.13Å; L289-V312 PolarHBondContact N-O 3.45Å; V312-Y314 HydrophobicContact CG1-CD1 4.45Å; V312-Y314 HydrophobicContact CG1-CD2 3.98Å; V312-Y314 HydrophobicContact CG1-CE1 3.9Å; V312-Y314 HydrophobicContact CG1-CE2 3.39Å; V312-Y314 HydrophobicContact CG1-CG 4.47Å; V312-H336 VanDerWaalsContact CG2-CE1 3.49Å; V312-H336 WeakPolarHBondContact CG2-CE1 3.24Å; V312-T337 HydrophobicContact CG1-CG2 4.26Å
313	L	97.3	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.5	175.2	179.3	58.5	0	0	0	110.6	L289 F304 L310 L315 L335 T337 L338 S339	L289-L313 HydrophobicContact CB-CD1 4.01Å; L289-L313 HydrophobicContact CD2-CD1 3.99Å; L289-L313 HydrophobicContact CG-CD1 4.04Å; F304-L313 HydrophobicContact CD2-CD2 4.35Å; F304-L313 HydrophobicContact CE1-CD1 4.34Å; F304-L313 HydrophobicContact CE2-CD2 4.2Å; F304-L313 HydrophobicContact CZ-CD1 4.48Å; F304-L313 HydrophobicContact CZ-CD2 4.34Å; L310-L313 HydrophobicContact CD2-CB 4.14Å; L310-L313 HydrophobicContact CD2-CD1 4.45Å; L310-L313 HydrophobicContact CD2-CD2 4.42Å; L313-L315 HydrophobicContact CD1-CG 4.33Å; L313-L315 HydrophobicContact CD2-CD1 3.98Å; L313-L315 HydrophobicContact CG-CD1 4.14Å; L313-L315 HydrophobicContact CG-CG 4.25Å; L313-L335 HydrophobicContact CB-CD1 3.81Å; L313-T337 PolarHBondContact N-O 2.96Å; L313-L338 HydrophobicContact CB-CD1 4.14Å; L313-L338 HydrophobicContact CD2-CD1 4.07Å; L313-L338 HydrophobicContact CG-CD1 4.07Å; L313-L338 WeakPolarHBondContact O-CA 3.35Å; L313-S339 PolarHBondContact O-N 2.87Å
314	Y	96	Very high	95.5	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.8	173.7	-53.4	-72.7	0	0	0	112	H135 E288 L289 D290 L291 R292 V312 T337	H135-Y314 HydrophobicContact CB-CE1 3.8Å; H135-Y314 PolarHBondContact CE1-OH 3.08Å; H135-Y314 AromaticContact CG-CE1 3.79Å; H135-Y314 AromaticContact ND1-CE1 3.34Å; H135-Y314 VanDerWaalsContact ND1-CE1 3.34Å; H135-Y314 WeakPolarHBondContact ND1-CE1 3.35Å; H135-Y314 AromaticContact ND1-CZ 3.44Å; H135-Y314 PolarHBondContact ND1-OH 2.91Å; E288-Y314 HydrophobicContact CG-CE2 4.22Å; L289-Y314 PolarHBondContact O-N 3.37Å; D290-Y314 HydrophobicContact CB-CD2 3.88Å; L291-Y314 WeakPolarHBondContact CA-O 3.01Å; L291-Y314 WeakPolarHBondContact CB-O 3.07Å; L291-Y314 PolarHBondContact N-O 3.42Å; R292-Y314 HydrophobicContact CG-CG 4.29Å; V312-Y314 HydrophobicContact CG1-CD1 4.45Å; V312-Y314 HydrophobicContact CG1-CD2 3.98Å; V312-Y314 HydrophobicContact CG1-CE1 3.9Å; V312-Y314 HydrophobicContact CG1-CE2 3.39Å; V312-Y314 HydrophobicContact CG1-CG 4.47Å; Y314-T337 HydrophobicContact CE1-CG2 4.46Å
315	L	97.1	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.			trans	-125.7	13	175.4	-75.7	165.8	0	0	0	111.7	L291 I296 F299 F304 L313 N318 F328 S339 L340 N343	L291-L315 HydrophobicContact CB-CD2 4.02Å; L291-L315 HydrophobicContact CD1-CD2 3.92Å; I296-L315 HydrophobicContact CD1-CD2 4.19Å; F299-L315 HydrophobicContact CE1-CD1 4.49Å; F304-L315 HydrophobicContact CZ-CD1 4.49Å; L313-L315 HydrophobicContact CD1-CG 4.33Å; L313-L315 HydrophobicContact CD2-CD1 3.98Å; L313-L315 HydrophobicContact CG-CD1 4.14Å; L313-L315 HydrophobicContact CG-CG 4.25Å; L315-N318 PolarHBondContact O-ND2 2.87Å; L315-F328 HydrophobicContact CD1-CE1 4.19Å; L315-S339 CarbonylContact C-O 3.59Å; L315-S339 WeakPolarHBondContact CA-O 3.49Å; L315-S339 WeakPolarHBondContact CB-O 3.32Å; L315-S339 PolarHBondContact N-O 3.48Å; L315-L340 HydrophobicContact CB-CD2 3.89Å; L315-L340 HydrophobicContact CD1-CD2 4.14Å; L315-N343 PolarHBondContact O-ND2 3.3Å
316	N	95.5	Very high	94.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.			trans	-64.7	158.7	178	55.4	-84.3	0	0	0	113.2	R292 G293 N318 S339 A341	R292-N316 CarbonylContact C-O 3.57Å; R292-N316 VanDerWaalsContact CA-O 3.22Å; R292-N316 WeakPolarHBondContact CA-O 3.3Å; R292-N316 VanDerWaalsContact CD-CG 3.41Å; R292-N316 WeakPolarHBondContact CD-ND2 3.49Å; R292-N316 WeakPolarHBondContact CD-OD1 3.15Å; R292-N316 VanDerWaalsContact CG-CG 3.42Å; R292-N316 WeakPolarHBondContact CG-ND2 3.43Å; R292-N316 WeakPolarHBondContact CG-OD1 3.34Å; G293-N316 PolarHBondContact N-O 3.37Å; N316-N318 PolarHBondContact O-N 3.4Å; N316-N318 PolarHBondContact O-ND2 2.92Å; N316-S339 WeakPolarHBondContact CB-OG 3.29Å; N316-S339 PolarHBondContact N-O 3.25Å; N316-S339 WeakPolarHBondContact OD1-CB 3.42Å; N316-S339 PolarHBondContact OD1-OG 2.91Å; N316-A341 CarbonylContact C-O 3.59Å; N316-A341 WeakPolarHBondContact CA-O 3.5Å; N316-A341 HydrophobicContact CB-CB 3.9Å; N316-A341 WeakPolarHBondContact CB-O 3.42Å
317	E	96.2	Very high	94.4	Very high	84 Å²	84	44.5 Å²	44.5	39%	0.393	22%	0.216	S	C	.	.	S	Bend	trans	58.4	44.7	-178.8	-60.5	164.3	-119	0	0	112.9	G293 A341 Y342	G293-E317 CarbonylContact C-O 3.16Å; G293-E317 WeakPolarHBondContact CA-O 3.42Å; G293-E317 PolarHBondContact N-O 2.86Å; E317-A341 PolarHBondContact N-O 2.75Å; E317-Y342 VanDerWaalsContact CA-O 3.27Å; E317-Y342 WeakPolarHBondContact CA-O 3.49Å; E317-Y342 PolarHBondContact N-O 3.35Å
318	N	98.2	Very high	94.2	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.217	C	C	.	.	S	Bend	trans	-118.8	-159.8	175.2	-85	-77.3	0	0	0	110.8	L291 N294 R295 I296 L315 N316 N343	L291-N318 PolarHBondContact O-ND2 3.13Å; N294-N318 WeakPolarHBondContact CA-OD1 3.23Å; N294-N318 WeakPolarHBondContact CB-OD1 3.4Å; N294-N318 PolarHBondContact N-OD1 3.26Å; N294-N318 PolarHBondContact O-OD1 3.43Å; R295-N318 PolarHBondContact N-OD1 3.45Å; I296-N318 HydrophobicContact CB-CB 4.29Å; I296-N318 VanDerWaalsContact CB-OD1 3.28Å; I296-N318 WeakPolarHBondContact CB-OD1 3.34Å; I296-N318 WeakPolarHBondContact CG1-OD1 3.31Å; I296-N318 PolarHBondContact N-OD1 2.87Å; L315-N318 PolarHBondContact O-ND2 2.87Å; N316-N318 PolarHBondContact O-N 3.4Å; N316-N318 PolarHBondContact O-ND2 2.92Å; N318-N343 VanDerWaalsContact CA-OD1 3.29Å; N318-N343 WeakPolarHBondContact CA-OD1 3.38Å; N318-N343 WeakPolarHBondContact CB-OD1 3.5Å; N318-N343 PolarHBondContact N-OD1 2.94Å; N318-N343 PolarHBondContact O-OD1 3.48Å
319	H	97.7	Very high	94	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.38	20%	0.2	S	C	.	.			trans	-122	25.8	-174.7	-62.3	-22.6	0	0	0	113.2	I296 N343	I296-H319 CarbonylContact O-C 3.36Å; I296-H319 WeakPolarHBondContact O-CA 3.23Å; I296-H319 PolarHBondContact O-N 3.35Å; H319-N343 PolarHBondContact N-OD1 3.4Å
320	L	96.7	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.216	C	C	.	.			trans	-66.5	135	178.2	-61	173.3	0	0	0	110.6	I296 F299 L340 N343 Q344 I345	I296-L320 HydrophobicContact CG2-CD2 4.42Å; I296-L320 PolarHBondContact O-N 3.47Å; F299-L320 HydrophobicContact CD1-CD2 4.27Å; F299-L320 HydrophobicContact CE1-CD1 4.48Å; F299-L320 HydrophobicContact CE1-CD2 3.9Å; L320-L340 HydrophobicContact CD1-CD2 3.66Å; L320-N343 HydrophobicContact CB-CB 4.24Å; L320-N343 WeakPolarHBondContact CB-OD1 3.1Å; L320-N343 WeakPolarHBondContact CG-OD1 3.44Å; L320-N343 PolarHBondContact N-OD1 2.96Å; L320-Q344 CarbonylContact O-C 3.48Å; L320-Q344 VanDerWaalsContact O-CA 3.24Å; L320-Q344 WeakPolarHBondContact O-CA 3.48Å; L320-Q344 WeakPolarHBondContact O-CB 3.19Å; L320-Q344 PolarHBondContact O-N 3.39Å; L320-I345 HydrophobicContact CB-CG1 4.18Å; L320-I345 PolarHBondContact O-N 2.89Å; L320-I345 VanDerWaalsContact O-N 3.14Å
321	K	95.8	Very high	93.4	Very high	115 Å²	115	50.2 Å²	50.2	50%	0.5	23%	0.233	S	C	.	.			trans	-114.4	-33.6	-176.8	-67.4	-175.9	-178.9	-179.8	0	115.4	Q344 I345 E346	K321-Q344 WeakPolarHBondContact CA-O 3.25Å; K321-Q344 HydrophobicContact CG-CB 4.12Å; K321-I345 WeakPolarHBondContact O-CA 3.36Å; K321-E346 PolarHBondContact O-N 2.67Å
322	R	92.3	Very high	93.3	Very high	152 Å²	152	47.1 Å²	47.1	57%	0.574	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.7	-177.6	-66.8	-175.6	-178.2	162.8	-1.1	110.2	R327	R322-R327 PolarHBondContact O-NE 2.89Å; R322-R327 PolarHBondContact O-NH2 3.45Å; R322-R327 VanDerWaalsContact O-NH2 3.07Å
323	L	94	Very high	93.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.9	177.3	-54.3	-179.4	0	0	0	109.9	F328 L340 I345 D347 I348 A349 T352 F353	L323-F328 HydrophobicContact CD2-CE2 4.38Å; L323-L340 HydrophobicContact CD1-CD1 3.78Å; L323-I345 HydrophobicContact CD1-CD1 3.74Å; L323-I345 HydrophobicContact CD1-CG1 4.43Å; L323-I345 HydrophobicContact CD1-CG2 4.29Å; L323-I345 HydrophobicContact CD2-CD1 4.38Å; L323-I345 HydrophobicContact CG-CD1 4.12Å; L323-I345 HydrophobicContact CG-CG1 4.3Å; L323-I345 HydrophobicContact CG-CG2 4.09Å; L323-D347 PolarHBondContact N-O 2.85Å; L323-D347 VanDerWaalsContact N-O 3.16Å; L323-I348 HydrophobicContact CB-CG1 4.47Å; L323-I348 HydrophobicContact CB-CG2 4.34Å; L323-I348 HydrophobicContact CD1-CD1 4.38Å; L323-I348 HydrophobicContact CD1-CG1 4.19Å; L323-A349 PolarHBondContact O-N 3.01Å; L323-T352 HydrophobicContact CB-CG2 3.6Å; L323-T352 PolarHBondContact O-OG1 3.1Å; L323-T352 VanDerWaalsContact O-OG1 3.08Å; L323-F353 HydrophobicContact CD1-CE1 4.03Å; L323-F353 HydrophobicContact CD1-CZ 3.92Å
324	D	90.3	Very high	93.3	Very high	75 Å²	75	53.2 Å²	53.2	40%	0.401	25%	0.25	S	C	.	.			trans	-107.4	158.3	178.6	-55.1	-62.2	0	0	0	110.3	D326 R327	D324-D326 VanDerWaalsContact C-N 3.25Å; D324-D326 PolarHBondContact O-N 3.4Å; D324-D326 VanDerWaalsContact O-N 3.16Å; D324-R327 WeakPolarHBondContact O-CB 3.26Å; D324-R327 PolarHBondContact O-N 3.27Å
325	P	85	Confident	93.3	Very high	49 Å²	49	52.7 Å²	52.7	32%	0.318	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	-173.4	-24.9	37.2	0	0	0	115.5	R327 A349 A350	P325-R327 VanDerWaalsContact C-N 3.26Å; P325-R327 PolarHBondContact O-N 3.48Å; P325-A349 HydrophobicContact CG-CB 4.4Å; P325-A350 WeakPolarHBondContact CG-O 3.26Å
326	D	83.6	Confident	93.3	Very high	137 Å²	137	55.3 Å²	55.3	73%	0.733	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.6	179.9	-59.1	-34.9	0	0	0	112.9	D324	D324-D326 VanDerWaalsContact C-N 3.25Å; D324-D326 PolarHBondContact O-N 3.4Å; D324-D326 VanDerWaalsContact O-N 3.16Å
327	R	86.6	Confident	93.3	Very high	36 Å²	36	55.3 Å²	55.3	14%	0.136	26%	0.26	C	S	.	.	S	Bend	trans	-70.5	-39	-178.8	-174.1	175.7	-71.8	-72.6	-2.8	111.5	N298 F299 R322 D324 P325	N298-R327 PolarHBondContact OD1-NH1 2.81Å; F299-R327 HydrophobicContact CD2-CG 4.44Å; F299-R327 HydrophobicContact CE1-CG 4.36Å; F299-R327 HydrophobicContact CE2-CG 3.46Å; F299-R327 VanDerWaalsContact CE2-CG 3.46Å; F299-R327 VanDerWaalsContact CE2-O 3.31Å; F299-R327 WeakPolarHBondContact CE2-O 3.28Å; F299-R327 HydrophobicContact CZ-CG 3.4Å; F299-R327 VanDerWaalsContact CZ-CG 3.4Å; R322-R327 PolarHBondContact O-NE 2.89Å; R322-R327 PolarHBondContact O-NH2 3.45Å; R322-R327 VanDerWaalsContact O-NH2 3.07Å; D324-R327 WeakPolarHBondContact O-CB 3.26Å; D324-R327 PolarHBondContact O-N 3.27Å; P325-R327 VanDerWaalsContact C-N 3.26Å; P325-R327 PolarHBondContact O-N 3.48Å
328	F	92	Very high	93.4	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-110.8	134.3	-177.3	-65	-74.1	0	0	0	111.8	F299 L315 L323 L338 L340 F353 P354 F355	F299-F328 HydrophobicContact CZ-CD1 4.48Å; F299-F328 AromaticContact CZ-CE1 3.97Å; F299-F328 HydrophobicContact CZ-CE1 3.97Å; F299-F328 HydrophobicContact CZ-CZ 4.3Å; L315-F328 HydrophobicContact CD1-CE1 4.19Å; L323-F328 HydrophobicContact CD2-CE2 4.38Å; F328-L338 HydrophobicContact CZ-CD2 4.47Å; F328-L340 HydrophobicContact CZ-CD1 4.42Å; F328-L340 HydrophobicContact CZ-CD2 4.35Å; F328-F353 HydrophobicContact CE2-CD1 4.4Å; F328-F353 HydrophobicContact CE2-CE1 4.28Å; F328-P354 HydrophobicContact CB-CG 4.32Å; F328-F355 HydrophobicContact CB-CE1 3.93Å; F328-F355 HydrophobicContact CB-CE2 4.41Å; F328-F355 HydrophobicContact CB-CZ 3.44Å; F328-F355 VanDerWaalsContact CB-CZ 3.44Å; F328-F355 AromaticContact CD1-CZ 3.83Å; F328-F355 HydrophobicContact CD1-CZ 3.83Å; F328-F355 HydrophobicContact CD2-CE2 4.43Å; F328-F355 HydrophobicContact CD2-CZ 4.14Å; F328-F355 HydrophobicContact CG-CE1 4.47Å; F328-F355 HydrophobicContact CG-CE2 4.26Å; F328-F355 AromaticContact CG-CZ 3.55Å; F328-F355 HydrophobicContact CG-CZ 3.55Å
329	P	91.5	Very high	93.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	24%	0.242	C	C	.	.			trans	-75.7	147.6	-178.3	30.1	-32	0	0	0	111.4	E302 F304 A305 T331 L332	E302-P329 WeakPolarHBondContact OE2-CB 3.28Å; F304-P329 HydrophobicContact CB-CG 3.95Å; A305-P329 HydrophobicContact CB-CB 4Å; A305-P329 HydrophobicContact CB-CG 4.3Å; P329-T331 PolarHBondContact O-N 3.34Å; P329-L332 HydrophobicContact CG-CD1 4.21Å; P329-L332 HydrophobicContact CG-CG 4.1Å
330	R	91.1	Very high	93.3	Very high	172 Å²	172	47.5 Å²	47.5	65%	0.649	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.2	177.4	-60.1	-175.2	175.5	-90.3	-2.9	113.7	L332 L333 P354	R330-L332 VanDerWaalsContact C-N 3.33Å; R330-L333 WeakPolarHBondContact O-CD2 3.31Å; R330-P354 HydrophobicContact CG-CB 3.89Å; R330-P354 HydrophobicContact CG-CG 4.29Å
331	T	92	Very high	93.2	Very high	57 Å²	57	47.5 Å²	47.5	35%	0.35	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.9	-177.6	57.5	0	0	0	0	113.6	A305 P329 L333	A305-T331 WeakPolarHBondContact CA-OG1 3.31Å; A305-T331 PolarHBondContact O-OG1 2.99Å; P329-T331 PolarHBondContact O-N 3.34Å; T331-L333 PolarHBondContact O-N 3.39Å
332	L	94.6	Very high	93.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.			trans	-77.6	61.1	179.1	-60.3	-178.4	0	0	0	112	F304 L307 L310 P329 R330 N334 L335 F355	F304-L332 HydrophobicContact CB-CD1 4.07Å; F304-L332 HydrophobicContact CB-CD2 4.26Å; L307-L332 HydrophobicContact CB-CD2 4.22Å; L307-L332 WeakPolarHBondContact O-CD2 3.41Å; L310-L332 HydrophobicContact CB-CD2 4.07Å; L310-L332 HydrophobicContact CD2-CD2 4.06Å; P329-L332 HydrophobicContact CG-CD1 4.21Å; P329-L332 HydrophobicContact CG-CG 4.1Å; R330-L332 VanDerWaalsContact C-N 3.33Å; L332-N334 VanDerWaalsContact C-N 3.31Å; L332-N334 PolarHBondContact O-N 2.91Å; L332-L335 HydrophobicContact CB-CB 4.19Å; L332-L335 HydrophobicContact CD1-CD2 4.41Å; L332-F355 HydrophobicContact CB-CD1 4.06Å; L332-F355 HydrophobicContact CB-CE1 3.97Å; L332-F355 HydrophobicContact CD1-CE1 3.85Å; L332-F355 HydrophobicContact CD1-CZ 4.4Å; L332-F355 HydrophobicContact CG-CE1 4.43Å
333	L	94.9	Very high	93.6	Very high	91 Å²	91	39.7 Å²	39.7	48%	0.476	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.7	-173.2	-61.4	177.3	0	0	0	114	R330 T331 P356 R357	R330-L333 WeakPolarHBondContact O-CD2 3.31Å; T331-L333 PolarHBondContact O-N 3.39Å; L333-P356 HydrophobicContact CD2-CG 4.15Å; L333-R357 VanDerWaalsContact O-CD 3.25Å; L333-R357 WeakPolarHBondContact O-CD 3.32Å; L333-R357 WeakPolarHBondContact O-CG 3.22Å
334	N	97.2	Very high	93.8	Very high	49 Å²	49	42 Å²	42	26%	0.262	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.2	-178.4	-67.2	-40	0	0	0	113.6	P308 L310 E311 L332 H336 R357	P308-N334 PolarHBondContact O-ND2 2.63Å; L310-N334 CarbonylContact O-C 3.48Å; E311-N334 HydrophobicContact CG-CB 4.38Å; L332-N334 VanDerWaalsContact C-N 3.31Å; L332-N334 PolarHBondContact O-N 2.91Å; N334-H336 PolarHBondContact O-N 2.84Å; N334-H336 VanDerWaalsContact O-N 3.14Å; N334-R357 PolarHBondContact OD1-NH1 3.4Å
335	L	97.8	Very high	94.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.			trans	-64.7	116.9	-175.9	-166.5	77.7	0	0	0	110.1	L310 L313 L332 L338 F355 R357 L358	L310-L335 HydrophobicContact CD2-CD1 4.13Å; L310-L335 HydrophobicContact CG-CD1 4.09Å; L310-L335 VanDerWaalsContact O-CA 3.28Å; L310-L335 WeakPolarHBondContact O-CA 3.5Å; L310-L335 PolarHBondContact O-N 3.42Å; L313-L335 HydrophobicContact CB-CD1 3.81Å; L332-L335 HydrophobicContact CB-CB 4.19Å; L332-L335 HydrophobicContact CD1-CD2 4.41Å; L335-L338 HydrophobicContact CD2-CB 4.32Å; L335-F355 HydrophobicContact CD2-CD1 4.05Å; L335-F355 HydrophobicContact CD2-CD2 4.12Å; L335-F355 HydrophobicContact CD2-CE1 4.07Å; L335-F355 HydrophobicContact CD2-CE2 4.12Å; L335-F355 HydrophobicContact CD2-CG 4.06Å; L335-F355 HydrophobicContact CD2-CZ 4.05Å; L335-R357 CarbonylContact O-C 3.58Å; L335-R357 VanDerWaalsContact O-C 3.31Å; L335-L358 HydrophobicContact CD2-CD1 4Å; L335-L358 HydrophobicContact CG-CD1 4.04Å; L335-L358 WeakPolarHBondContact O-CA 3.47Å; L335-L358 PolarHBondContact O-N 3.07Å
336	H	96.3	Very high	94.7	Very high	54 Å²	54	40.1 Å²	40.1	25%	0.25	19%	0.188	C	C	.	.			trans	-110.4	-22.6	178	68	66.4	0	0	0	113	E311 V312 N334 R359 Y360	E311-H336 PolarHBondContact O-N 2.86Å; E311-H336 IonicContact OE2-NE2 2.64Å; V312-H336 VanDerWaalsContact CG2-CE1 3.49Å; V312-H336 WeakPolarHBondContact CG2-CE1 3.24Å; N334-H336 PolarHBondContact O-N 2.84Å; N334-H336 VanDerWaalsContact O-N 3.14Å; H336-R359 HydrophobicContact CB-CG 4.37Å; H336-R359 WeakPolarHBondContact O-CA 3.35Å; H336-R359 PolarHBondContact O-N 3.42Å; H336-Y360 PolarHBondContact O-N 3.42Å
337	T	96	Very high	95.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.7	177	-61.6	0	0	0	0	111.2	E311 V312 L313 Y314 F362	E311-T337 PolarHBondContact O-N 3.34Å; E311-T337 VanDerWaalsContact O-N 3.09Å; V312-T337 HydrophobicContact CG1-CG2 4.26Å; L313-T337 PolarHBondContact N-O 2.96Å; Y314-T337 HydrophobicContact CE1-CG2 4.46Å; T337-F362 HydrophobicContact CG2-CD2 4.49Å; T337-F362 HydrophobicContact CG2-CE2 3.86Å
338	L	97.2	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.8	171	176.2	58	0	0	0	110.3	L313 F328 L335 L340 F353 F355 L358 Y360 L361 F362	L313-L338 HydrophobicContact CB-CD1 4.14Å; L313-L338 HydrophobicContact CD2-CD1 4.07Å; L313-L338 HydrophobicContact CG-CD1 4.07Å; L313-L338 WeakPolarHBondContact O-CA 3.35Å; F328-L338 HydrophobicContact CZ-CD2 4.47Å; L335-L338 HydrophobicContact CD2-CB 4.32Å; L338-L340 HydrophobicContact CD1-CD1 4.45Å; L338-L340 HydrophobicContact CD1-CG 4.16Å; L338-L340 HydrophobicContact CD2-CD1 3.84Å; L338-L340 HydrophobicContact CD2-CG 4.42Å; L338-L340 HydrophobicContact CG-CD1 4.02Å; L338-L340 HydrophobicContact CG-CG 4.09Å; L338-F353 HydrophobicContact CD2-CD1 4.17Å; L338-F353 HydrophobicContact CD2-CE1 4.24Å; L338-F355 HydrophobicContact CD2-CD2 4.21Å; L338-F355 HydrophobicContact CD2-CE2 3.55Å; L338-F355 HydrophobicContact CD2-CZ 4.39Å; L338-L358 HydrophobicContact CB-CD1 3.86Å; L338-L358 HydrophobicContact CB-CD2 4.4Å; L338-Y360 PolarHBondContact N-O 3.35Å; L338-L361 HydrophobicContact CB-CD1 4.17Å; L338-L361 HydrophobicContact CD2-CD1 4.03Å; L338-L361 HydrophobicContact CG-CD1 4.05Å; L338-L361 WeakPolarHBondContact O-CA 3.4Å; L338-F362 PolarHBondContact O-N 2.87Å
339	S	96.1	Very high	95.9	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.6	172.3	-171.7	0	0	0	0	111.6	L313 L315 N316	L313-S339 PolarHBondContact O-N 2.87Å; L315-S339 CarbonylContact C-O 3.59Å; L315-S339 WeakPolarHBondContact CA-O 3.49Å; L315-S339 WeakPolarHBondContact CB-O 3.32Å; L315-S339 PolarHBondContact N-O 3.48Å; N316-S339 WeakPolarHBondContact CB-OG 3.29Å; N316-S339 PolarHBondContact N-O 3.25Å; N316-S339 WeakPolarHBondContact OD1-CB 3.42Å; N316-S339 PolarHBondContact OD1-OG 2.91Å
340	L	97.4	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.			trans	-123.9	14.9	174.4	-70.2	162.9	0	0	0	111.1	L315 L320 L323 F328 L338 N343 I345 F353 L361 F362 L363 N366	L315-L340 HydrophobicContact CB-CD2 3.89Å; L315-L340 HydrophobicContact CD1-CD2 4.14Å; L320-L340 HydrophobicContact CD1-CD2 3.66Å; L323-L340 HydrophobicContact CD1-CD1 3.78Å; F328-L340 HydrophobicContact CZ-CD1 4.42Å; F328-L340 HydrophobicContact CZ-CD2 4.35Å; L338-L340 HydrophobicContact CD1-CD1 4.45Å; L338-L340 HydrophobicContact CD1-CG 4.16Å; L338-L340 HydrophobicContact CD2-CD1 3.84Å; L338-L340 HydrophobicContact CD2-CG 4.42Å; L338-L340 HydrophobicContact CG-CD1 4.02Å; L338-L340 HydrophobicContact CG-CG 4.09Å; L340-N343 PolarHBondContact O-ND2 2.9Å; L340-I345 HydrophobicContact CB-CD1 4.09Å; L340-F353 HydrophobicContact CD1-CE1 3.83Å; L340-F353 HydrophobicContact CD1-CZ 4.35Å; L340-L361 HydrophobicContact CD1-CD1 4.34Å; L340-F362 CarbonylContact C-O 3.37Å; L340-F362 WeakPolarHBondContact CA-O 3.34Å; L340-F362 PolarHBondContact N-O 3.42Å; L340-L363 HydrophobicContact CB-CD2 3.87Å; L340-L363 HydrophobicContact CD1-CD2 4.1Å; L340-N366 PolarHBondContact O-ND2 2.84Å
341	A	96.5	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	154.2	-178.2	0	0	0	0	0	112.2	N316 E317 N343 F362 A364	N316-A341 CarbonylContact C-O 3.59Å; N316-A341 WeakPolarHBondContact CA-O 3.5Å; N316-A341 HydrophobicContact CB-CB 3.9Å; N316-A341 WeakPolarHBondContact CB-O 3.42Å; E317-A341 PolarHBondContact N-O 2.75Å; A341-N343 PolarHBondContact O-N 2.98Å; A341-N343 VanDerWaalsContact O-N 3.15Å; A341-N343 PolarHBondContact O-ND2 3.32Å; A341-F362 HydrophobicContact CB-CB 4.36Å; A341-F362 PolarHBondContact N-O 3.48Å; A341-F362 VanDerWaalsContact N-O 3.12Å; A341-A364 CarbonylContact C-O 3.55Å; A341-A364 WeakPolarHBondContact CA-O 3.27Å; A341-A364 HydrophobicContact CB-CB 4.17Å; A341-A364 WeakPolarHBondContact CB-O 3.25Å
342	Y	96.6	Very high	96.1	Very high	94 Å²	94	28.8 Å²	28.8	37%	0.369	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	39.8	175.4	-56	-76.7	0	0	0	113.9	L136 E317 A364 G365	L136-Y342 HydrophobicContact CD1-CD2 3.96Å; L136-Y342 HydrophobicContact CD1-CE2 3.56Å; L136-Y342 HydrophobicContact CD2-CE2 4.31Å; E317-Y342 VanDerWaalsContact CA-O 3.27Å; E317-Y342 WeakPolarHBondContact CA-O 3.49Å; E317-Y342 PolarHBondContact N-O 3.35Å; Y342-A364 PolarHBondContact N-O 3.46Å; Y342-G365 WeakPolarHBondContact CA-O 3.44Å
343	N	98.3	Very high	96.2	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.048	15%	0.151	C	C	.	.	S	Bend	trans	-98.1	-158.5	167.4	-87.1	-84.9	0	0	0	109.7	L315 N318 H319 L320 L340 A341 I345 N366	L315-N343 PolarHBondContact O-ND2 3.3Å; N318-N343 VanDerWaalsContact CA-OD1 3.29Å; N318-N343 WeakPolarHBondContact CA-OD1 3.38Å; N318-N343 WeakPolarHBondContact CB-OD1 3.5Å; N318-N343 PolarHBondContact N-OD1 2.94Å; N318-N343 PolarHBondContact O-OD1 3.48Å; H319-N343 PolarHBondContact N-OD1 3.4Å; L320-N343 HydrophobicContact CB-CB 4.24Å; L320-N343 WeakPolarHBondContact CB-OD1 3.1Å; L320-N343 WeakPolarHBondContact CG-OD1 3.44Å; L320-N343 PolarHBondContact N-OD1 2.96Å; L340-N343 PolarHBondContact O-ND2 2.9Å; A341-N343 PolarHBondContact O-N 2.98Å; A341-N343 VanDerWaalsContact O-N 3.15Å; A341-N343 PolarHBondContact O-ND2 3.32Å; N343-I345 HydrophobicContact CB-CD1 4.01Å; N343-I345 HydrophobicContact CB-CG1 3.97Å; N343-N366 VanDerWaalsContact CA-OD1 3.3Å; N343-N366 WeakPolarHBondContact CA-OD1 3.37Å; N343-N366 WeakPolarHBondContact CB-OD1 3.27Å; N343-N366 PolarHBondContact N-OD1 3.48Å; N343-N366 PolarHBondContact O-OD1 3.04Å
344	Q	98	Very high	96.1	Very high	47 Å²	47	25 Å²	25	22%	0.22	13%	0.131	C	C	.	.			trans	-120.8	29.2	178	-57.1	177.3	7	0	0	110.7	L320 K321 E346 N366	L320-Q344 CarbonylContact O-C 3.48Å; L320-Q344 VanDerWaalsContact O-CA 3.24Å; L320-Q344 WeakPolarHBondContact O-CA 3.48Å; L320-Q344 WeakPolarHBondContact O-CB 3.19Å; L320-Q344 PolarHBondContact O-N 3.39Å; K321-Q344 WeakPolarHBondContact CA-O 3.25Å; K321-Q344 HydrophobicContact CG-CB 4.12Å; Q344-E346 PolarHBondContact O-N 3.47Å; Q344-N366 PolarHBondContact N-OD1 3.47Å
345	I	98.3	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.			trans	-69.3	117.8	-171	-58.8	159.5	0	0	0	109.1	L320 K321 L323 L340 N343 I348 L363 N366 R367 L368	L320-I345 HydrophobicContact CB-CG1 4.18Å; L320-I345 PolarHBondContact O-N 2.89Å; L320-I345 VanDerWaalsContact O-N 3.14Å; K321-I345 WeakPolarHBondContact O-CA 3.36Å; L323-I345 HydrophobicContact CD1-CD1 3.74Å; L323-I345 HydrophobicContact CD1-CG1 4.43Å; L323-I345 HydrophobicContact CD1-CG2 4.29Å; L323-I345 HydrophobicContact CD2-CD1 4.38Å; L323-I345 HydrophobicContact CG-CD1 4.12Å; L323-I345 HydrophobicContact CG-CG1 4.3Å; L323-I345 HydrophobicContact CG-CG2 4.09Å; L340-I345 HydrophobicContact CB-CD1 4.09Å; N343-I345 HydrophobicContact CB-CD1 4.01Å; N343-I345 HydrophobicContact CB-CG1 3.97Å; I345-I348 HydrophobicContact CG2-CD1 4.5Å; I345-I348 HydrophobicContact CG2-CG1 3.89Å; I345-L363 HydrophobicContact CD1-CD2 4.16Å; I345-N366 HydrophobicContact CB-CB 4.21Å; I345-N366 WeakPolarHBondContact CB-OD1 3.36Å; I345-N366 WeakPolarHBondContact CD1-OD1 3.3Å; I345-N366 WeakPolarHBondContact CG1-OD1 3.33Å; I345-N366 PolarHBondContact N-OD1 3.48Å; I345-R367 CarbonylContact O-C 3.14Å; I345-R367 VanDerWaalsContact O-C 3.23Å; I345-R367 VanDerWaalsContact O-CA 3.29Å; I345-R367 WeakPolarHBondContact O-CA 3.19Å; I345-R367 WeakPolarHBondContact O-CB 2.95Å; I345-R367 PolarHBondContact O-N 2.94Å; I345-L368 HydrophobicContact CG2-CD2 3.91Å; I345-L368 PolarHBondContact O-N 3.13Å
346	E	97.6	Very high	95.8	Very high	85 Å²	85	25.3 Å²	25.3	40%	0.397	14%	0.136	S	C	.	.			trans	-96.3	-29.4	178.5	-70.8	169.3	-172.3	0	0	111.6	K321 Q344 R367	K321-E346 PolarHBondContact O-N 2.67Å; Q344-E346 PolarHBondContact O-N 3.47Å; E346-R367 HydrophobicContact CG-CB 3.88Å; E346-R367 IonicContact OE1-NH1 3.85Å
347	D	94.3	Very high	95.7	Very high	47 Å²	47	29.6 Å²	29.6	25%	0.251	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.1	-172.8	-154.9	84.7	0	0	0	112.1	L323 R372	L323-D347 PolarHBondContact N-O 2.85Å; L323-D347 VanDerWaalsContact N-O 3.16Å; D347-R372 IonicContact OD1-CZ 2.79Å; D347-R372 IonicContact OD1-NH1 3.75Å; D347-R372 PolarHBondContact OD1-NH1 2.95Å; D347-R372 IonicContact OD1-NH2 3.67Å; D347-R372 PolarHBondContact OD1-NH2 3.03Å; D347-R372 IonicContact OD2-NH1 3.8Å; D347-R372 PolarHBondContact OD2-NH1 3.45Å
348	I	96.9	Very high	95.8	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.3	172.6	-53.2	175.7	0	0	0	107.2	L323 I345 T352 F353 L363 L368 T375	L323-I348 HydrophobicContact CB-CG1 4.47Å; L323-I348 HydrophobicContact CB-CG2 4.34Å; L323-I348 HydrophobicContact CD1-CD1 4.38Å; L323-I348 HydrophobicContact CD1-CG1 4.19Å; I345-I348 HydrophobicContact CG2-CD1 4.5Å; I345-I348 HydrophobicContact CG2-CG1 3.89Å; I348-T352 HydrophobicContact CG2-CG2 3.95Å; I348-F353 HydrophobicContact CD1-CE2 4.36Å; I348-F353 HydrophobicContact CD1-CZ 4.18Å; I348-F353 HydrophobicContact CG2-CE2 3.71Å; I348-F353 HydrophobicContact CG2-CZ 3.97Å; I348-L363 HydrophobicContact CD1-CD1 3.75Å; I348-L363 HydrophobicContact CD1-CD2 3.96Å; I348-L368 HydrophobicContact CD1-CD1 4.02Å; I348-L368 HydrophobicContact CD1-CD2 3.95Å; I348-L368 HydrophobicContact CG1-CD2 3.82Å; I348-T375 HydrophobicContact CB-CG2 3.81Å; I348-T375 HydrophobicContact CG2-CG2 3.64Å
349	A	95.2	Very high	95.8	Very high	24 Å²	24	35.7 Å²	35.7	20%	0.198	17%	0.173	C	C	.	.			trans	-66.2	163.5	177.9	0	0	0	0	0	112.1	L323 P325 T352	L323-A349 PolarHBondContact O-N 3.01Å; P325-A349 HydrophobicContact CG-CB 4.4Å; A349-T352 PolarHBondContact N-OG1 3.2Å; A349-T352 WeakPolarHBondContact O-CB 3.46Å; A349-T352 PolarHBondContact O-OG1 3.35Å
350	A	94.3	Very high	95.8	Very high	41 Å²	41	36 Å²	36	34%	0.339	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	140.8	173.8	0	0	0	0	0	110.9	P325 T352 E374	P325-A350 WeakPolarHBondContact CG-O 3.26Å; A350-T352 PolarHBondContact O-N 3.11Å; A350-T352 VanDerWaalsContact O-N 3.17Å; A350-E374 HydrophobicContact CB-CB 3.87Å
351	N	91.5	Very high	95.8	Very high	50 Å²	50	36 Å²	36	27%	0.267	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	22.3	174.5	-59.2	-63.5	0	0	0	115.5	F353 E374 N378	N351-F353 VanDerWaalsContact C-N 3.29Å; N351-F353 PolarHBondContact O-N 3.31Å; N351-E374 PolarHBondContact N-O 2.89Å; N351-E374 PolarHBondContact ND2-OE2 3.26Å; N351-E374 VanDerWaalsContact ND2-OE2 3.08Å; N351-N378 PolarHBondContact O-ND2 2.73Å
352	T	93.6	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.			trans	-62.7	-27.2	-174.8	-76	0	0	0	0	115.4	L323 I348 A349 A350 P354	L323-T352 HydrophobicContact CB-CG2 3.6Å; L323-T352 PolarHBondContact O-OG1 3.1Å; L323-T352 VanDerWaalsContact O-OG1 3.08Å; I348-T352 HydrophobicContact CG2-CG2 3.95Å; A349-T352 PolarHBondContact N-OG1 3.2Å; A349-T352 WeakPolarHBondContact O-CB 3.46Å; A349-T352 PolarHBondContact O-OG1 3.35Å; A350-T352 PolarHBondContact O-N 3.11Å; A350-T352 VanDerWaalsContact O-N 3.17Å; T352-P354 WeakPolarHBondContact O-CD 3.26Å
353	F	95.2	Very high	95.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.156	C	C	.	.			trans	-106.6	94.9	-174	-56.3	-69.1	0	0	0	111.7	L323 F328 L338 L340 I348 N351 F355 L361 F376 N378 L379	L323-F353 HydrophobicContact CD1-CE1 4.03Å; L323-F353 HydrophobicContact CD1-CZ 3.92Å; F328-F353 HydrophobicContact CE2-CD1 4.4Å; F328-F353 HydrophobicContact CE2-CE1 4.28Å; L338-F353 HydrophobicContact CD2-CD1 4.17Å; L338-F353 HydrophobicContact CD2-CE1 4.24Å; L340-F353 HydrophobicContact CD1-CE1 3.83Å; L340-F353 HydrophobicContact CD1-CZ 4.35Å; I348-F353 HydrophobicContact CD1-CE2 4.36Å; I348-F353 HydrophobicContact CD1-CZ 4.18Å; I348-F353 HydrophobicContact CG2-CE2 3.71Å; I348-F353 HydrophobicContact CG2-CZ 3.97Å; N351-F353 VanDerWaalsContact C-N 3.29Å; N351-F353 PolarHBondContact O-N 3.31Å; F353-F355 HydrophobicContact CB-CD2 3.87Å; F353-F355 HydrophobicContact CB-CE2 4.13Å; F353-F355 HydrophobicContact CD1-CD2 4.4Å; F353-F355 AromaticContact CD1-CE2 3.97Å; F353-F355 HydrophobicContact CD1-CE2 3.97Å; F353-F355 PolarHBondContact O-N 3.27Å; F353-L361 HydrophobicContact CD2-CD2 4.17Å; F353-L361 HydrophobicContact CE1-CD1 4.38Å; F353-L361 HydrophobicContact CE2-CD2 3.89Å; F353-L361 HydrophobicContact CZ-CD1 4.46Å; F353-L361 HydrophobicContact CZ-CD2 4.1Å; F353-F376 HydrophobicContact CD2-CD1 4.2Å; F353-F376 HydrophobicContact CE2-CD1 4.07Å; F353-F376 AromaticContact CE2-CE1 3.99Å; F353-F376 HydrophobicContact CE2-CE1 3.99Å; F353-N378 WeakPolarHBondContact O-CB 3.39Å; F353-L379 HydrophobicContact CB-CD1 4.07Å; F353-L379 HydrophobicContact CB-CD2 3.69Å; F353-L379 HydrophobicContact CB-CG 4.06Å; F353-L379 HydrophobicContact CD2-CD1 3.96Å; F353-L379 HydrophobicContact CG-CD1 4.26Å
354	P	93.6	Very high	95.9	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.071	15%	0.154	C	C	.	.			trans	-83.7	47.1	-176.3	36.3	-38.4	0	0	0	112.9	F328 R330 T352 P356	F328-P354 HydrophobicContact CB-CG 4.32Å; R330-P354 HydrophobicContact CG-CB 3.89Å; R330-P354 HydrophobicContact CG-CG 4.29Å; T352-P354 WeakPolarHBondContact O-CD 3.26Å; P354-P356 WeakPolarHBondContact O-CD 3.5Å
355	F	94.9	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.			trans	-115.5	91.7	-168.9	-50.7	-46.7	0	0	0	111.9	F328 L332 L335 L338 F353 R357 L358 L379	F328-F355 HydrophobicContact CB-CE1 3.93Å; F328-F355 HydrophobicContact CB-CE2 4.41Å; F328-F355 HydrophobicContact CB-CZ 3.44Å; F328-F355 VanDerWaalsContact CB-CZ 3.44Å; F328-F355 AromaticContact CD1-CZ 3.83Å; F328-F355 HydrophobicContact CD1-CZ 3.83Å; F328-F355 HydrophobicContact CD2-CE2 4.43Å; F328-F355 HydrophobicContact CD2-CZ 4.14Å; F328-F355 HydrophobicContact CG-CE1 4.47Å; F328-F355 HydrophobicContact CG-CE2 4.26Å; F328-F355 AromaticContact CG-CZ 3.55Å; F328-F355 HydrophobicContact CG-CZ 3.55Å; L332-F355 HydrophobicContact CB-CD1 4.06Å; L332-F355 HydrophobicContact CB-CE1 3.97Å; L332-F355 HydrophobicContact CD1-CE1 3.85Å; L332-F355 HydrophobicContact CD1-CZ 4.4Å; L332-F355 HydrophobicContact CG-CE1 4.43Å; L335-F355 HydrophobicContact CD2-CD1 4.05Å; L335-F355 HydrophobicContact CD2-CD2 4.12Å; L335-F355 HydrophobicContact CD2-CE1 4.07Å; L335-F355 HydrophobicContact CD2-CE2 4.12Å; L335-F355 HydrophobicContact CD2-CG 4.06Å; L335-F355 HydrophobicContact CD2-CZ 4.05Å; L338-F355 HydrophobicContact CD2-CD2 4.21Å; L338-F355 HydrophobicContact CD2-CE2 3.55Å; L338-F355 HydrophobicContact CD2-CZ 4.39Å; F353-F355 HydrophobicContact CB-CD2 3.87Å; F353-F355 HydrophobicContact CB-CE2 4.13Å; F353-F355 HydrophobicContact CD1-CD2 4.4Å; F353-F355 AromaticContact CD1-CE2 3.97Å; F353-F355 HydrophobicContact CD1-CE2 3.97Å; F353-F355 PolarHBondContact O-N 3.27Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 PolarHBondContact O-N 3.06Å; F355-L358 HydrophobicContact CB-CB 3.8Å; F355-L358 HydrophobicContact CB-CD1 4.32Å; F355-L358 HydrophobicContact CB-CG 4.45Å; F355-L358 HydrophobicContact CD2-CD1 4.36Å; F355-L358 HydrophobicContact CD2-CD2 4.18Å; F355-L358 PolarHBondContact O-N 2.96Å; F355-L379 HydrophobicContact CB-CD2 4.26Å
356	P	93.3	Very high	95.9	Very high	55 Å²	55	30 Å²	30	36%	0.357	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.4	-171.8	27.1	-35.3	0	0	0	113.9	L333 P354 N381	L333-P356 HydrophobicContact CD2-CG 4.15Å; P354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-N381 PolarHBondContact O-ND2 3.16Å
357	R	96.1	Very high	95.9	Very high	143 Å²	143	29.9 Å²	29.9	54%	0.54	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.9	-179.7	-68.1	-166.9	175.1	132.6	-2.5	114.1	L333 N334 L335 F355 R359	L333-R357 VanDerWaalsContact O-CD 3.25Å; L333-R357 WeakPolarHBondContact O-CD 3.32Å; L333-R357 WeakPolarHBondContact O-CG 3.22Å; N334-R357 PolarHBondContact OD1-NH1 3.4Å; L335-R357 CarbonylContact O-C 3.58Å; L335-R357 VanDerWaalsContact O-C 3.31Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 PolarHBondContact O-N 3.06Å; R357-R359 PolarHBondContact O-N 2.92Å
358	L	97.7	Very high	96.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.138	C	C	.	.			trans	-62.5	127.8	-177.9	-157.9	75.9	0	0	0	110.4	L335 L338 F355 L361 L379 N381 L382	L335-L358 HydrophobicContact CD2-CD1 4Å; L335-L358 HydrophobicContact CG-CD1 4.04Å; L335-L358 WeakPolarHBondContact O-CA 3.47Å; L335-L358 PolarHBondContact O-N 3.07Å; L338-L358 HydrophobicContact CB-CD1 3.86Å; L338-L358 HydrophobicContact CB-CD2 4.4Å; F355-L358 HydrophobicContact CB-CB 3.8Å; F355-L358 HydrophobicContact CB-CD1 4.32Å; F355-L358 HydrophobicContact CB-CG 4.45Å; F355-L358 HydrophobicContact CD2-CD1 4.36Å; F355-L358 HydrophobicContact CD2-CD2 4.18Å; F355-L358 PolarHBondContact O-N 2.96Å; L358-L361 HydrophobicContact CD2-CB 4.01Å; L358-L361 HydrophobicContact CD2-CD1 4.39Å; L358-L379 HydrophobicContact CB-CD2 3.97Å; L358-L379 HydrophobicContact CD2-CD1 4.26Å; L358-L379 HydrophobicContact CD2-CD2 3.74Å; L358-N381 CarbonylContact O-C 3.38Å; L358-L382 HydrophobicContact CD2-CD1 4.02Å; L358-L382 HydrophobicContact CG-CD1 4.22Å; L358-L382 VanDerWaalsContact O-CA 3.28Å; L358-L382 WeakPolarHBondContact O-CA 3.2Å; L358-L382 PolarHBondContact O-N 3.4Å; L358-L382 VanDerWaalsContact O-N 3.16Å
359	R	96.4	Very high	96.1	Very high	128 Å²	128	30.1 Å²	30.1	48%	0.483	16%	0.155	S	C	.	.			trans	-107.7	-36.5	177.1	-64.9	-175.6	-177.9	-178.4	0.4	111.9	H336 R357 Q383 G384	H336-R359 HydrophobicContact CB-CG 4.37Å; H336-R359 WeakPolarHBondContact O-CA 3.35Å; H336-R359 PolarHBondContact O-N 3.42Å; R357-R359 PolarHBondContact O-N 2.92Å; R359-Q383 HydrophobicContact CB-CG 4.47Å; R359-Q383 PolarHBondContact O-N 3Å; R359-G384 PolarHBondContact O-N 3.27Å
360	Y	96.8	Very high	96.2	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.8	-175.5	-49.7	-58.9	0	0	0	111.3	V128 K131 H336 L338 F362 Q383	V128-Y360 HydrophobicContact CB-CE1 4.48Å; V128-Y360 HydrophobicContact CG1-CD1 3.98Å; V128-Y360 HydrophobicContact CG1-CE1 4.21Å; V128-Y360 HydrophobicContact CG2-CE1 4.04Å; K131-Y360 HydrophobicContact CD-CD2 4.21Å; K131-Y360 HydrophobicContact CD-CE1 4.21Å; K131-Y360 HydrophobicContact CD-CE2 3.48Å; K131-Y360 VanDerWaalsContact CD-CE2 3.48Å; K131-Y360 PolarHBondContact NZ-OH 2.75Å; H336-Y360 PolarHBondContact O-N 3.42Å; L338-Y360 PolarHBondContact N-O 3.35Å; Y360-F362 HydrophobicContact CG-CZ 4.4Å; Y360-Q383 HydrophobicContact CE1-CB 4.1Å; Y360-Q383 PolarHBondContact OH-OE1 3.16Å
361	L	97.9	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.7	176	179.2	57.6	0	0	0	110.2	L338 L340 F353 L358 L363 F376 L379 L382 G384 L385 H386	L338-L361 HydrophobicContact CB-CD1 4.17Å; L338-L361 HydrophobicContact CD2-CD1 4.03Å; L338-L361 HydrophobicContact CG-CD1 4.05Å; L338-L361 WeakPolarHBondContact O-CA 3.4Å; L340-L361 HydrophobicContact CD1-CD1 4.34Å; F353-L361 HydrophobicContact CD2-CD2 4.17Å; F353-L361 HydrophobicContact CE1-CD1 4.38Å; F353-L361 HydrophobicContact CE2-CD2 3.89Å; F353-L361 HydrophobicContact CZ-CD1 4.46Å; F353-L361 HydrophobicContact CZ-CD2 4.1Å; L358-L361 HydrophobicContact CD2-CB 4.01Å; L358-L361 HydrophobicContact CD2-CD1 4.39Å; L361-L363 HydrophobicContact CD1-CG 4.33Å; L361-L363 HydrophobicContact CD2-CD1 3.93Å; L361-L363 HydrophobicContact CG-CD1 4.05Å; L361-L363 HydrophobicContact CG-CG 4.17Å; L361-F376 HydrophobicContact CD2-CD1 4.15Å; L361-F376 HydrophobicContact CD2-CE1 3.99Å; L361-L379 HydrophobicContact CD2-CD1 3.71Å; L361-L382 HydrophobicContact CB-CD1 3.78Å; L361-L382 HydrophobicContact CB-CD2 4.43Å; L361-G384 PolarHBondContact N-O 2.87Å; L361-L385 HydrophobicContact CB-CD1 4.18Å; L361-L385 HydrophobicContact CD2-CD1 4Å; L361-L385 HydrophobicContact CG-CD1 4.11Å; L361-H386 PolarHBondContact O-N 3.01Å
362	F	97	Very high	96.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.1	178.6	-49.2	-64.1	0	0	0	111.4	Y132 H135 T337 L338 L340 A341 Y360 H386	Y132-F362 HydrophobicContact CD2-CB 4.47Å; Y132-F362 AromaticContact CD2-CD1 3.38Å; Y132-F362 HydrophobicContact CD2-CD1 3.38Å; Y132-F362 AromaticContact CD2-CE1 3.73Å; Y132-F362 HydrophobicContact CD2-CE1 3.73Å; Y132-F362 AromaticContact CD2-CG 3.99Å; Y132-F362 HydrophobicContact CD2-CG 3.99Å; Y132-F362 HydrophobicContact CE2-CD1 4.18Å; Y132-F362 HydrophobicContact CG-CD1 4.22Å; Y132-F362 HydrophobicContact CG-CE1 4.15Å; H135-F362 HydrophobicContact CB-CD2 4.39Å; H135-F362 HydrophobicContact CB-CE2 3.91Å; H135-F362 HydrophobicContact CB-CZ 4.48Å; H135-F362 AromaticContact CD2-CE2 3.16Å; H135-F362 WeakPolarHBondContact CD2-CE2 3.4Å; H135-F362 AromaticContact CD2-CZ 3.36Å; H135-F362 WeakPolarHBondContact CD2-CZ 3.35Å; H135-F362 AromaticContact CG-CE2 3.7Å; T337-F362 HydrophobicContact CG2-CD2 4.49Å; T337-F362 HydrophobicContact CG2-CE2 3.86Å; L338-F362 PolarHBondContact O-N 2.87Å; L340-F362 CarbonylContact C-O 3.37Å; L340-F362 WeakPolarHBondContact CA-O 3.34Å; L340-F362 PolarHBondContact N-O 3.42Å; A341-F362 HydrophobicContact CB-CB 4.36Å; A341-F362 PolarHBondContact N-O 3.48Å; A341-F362 VanDerWaalsContact N-O 3.12Å; Y360-F362 HydrophobicContact CG-CZ 4.4Å; F362-H386 HydrophobicContact CD1-CB 3.91Å; F362-H386 AromaticContact CD1-CD2 3.56Å; F362-H386 AromaticContact CD1-CG 3.57Å; F362-H386 AromaticContact CE1-CD2 3.57Å; F362-H386 AromaticContact CE1-CG 4Å; F362-H386 AromaticContact CE1-NE2 3.7Å
363	L	97.9	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.			trans	-120.7	13.6	177.4	-72.7	164.4	0	0	0	112	L340 I345 I348 L361 N366 F376 L385 H386 L387 N390	L340-L363 HydrophobicContact CB-CD2 3.87Å; L340-L363 HydrophobicContact CD1-CD2 4.1Å; I345-L363 HydrophobicContact CD1-CD2 4.16Å; I348-L363 HydrophobicContact CD1-CD1 3.75Å; I348-L363 HydrophobicContact CD1-CD2 3.96Å; L361-L363 HydrophobicContact CD1-CG 4.33Å; L361-L363 HydrophobicContact CD2-CD1 3.93Å; L361-L363 HydrophobicContact CG-CD1 4.05Å; L361-L363 HydrophobicContact CG-CG 4.17Å; L363-N366 PolarHBondContact O-ND2 2.91Å; L363-F376 HydrophobicContact CD1-CE1 3.96Å; L363-F376 HydrophobicContact CD1-CZ 4.27Å; L363-L385 HydrophobicContact CD1-CD1 4.34Å; L363-H386 CarbonylContact C-O 3.46Å; L363-H386 VanDerWaalsContact C-O 3.3Å; L363-H386 VanDerWaalsContact CA-O 3.26Å; L363-H386 WeakPolarHBondContact CA-O 3.49Å; L363-H386 VanDerWaalsContact CB-O 3.32Å; L363-H386 WeakPolarHBondContact CB-O 3.31Å; L363-H386 PolarHBondContact N-O 3.47Å; L363-L387 HydrophobicContact CB-CD2 4.04Å; L363-L387 HydrophobicContact CD1-CD2 3.99Å; L363-N390 PolarHBondContact O-ND2 3.43Å
364	A	97.2	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	146.5	-179.6	0	0	0	0	0	112.3	Y132 A341 Y342 N366 H386 N388	Y132-A364 HydrophobicContact CE2-CB 4.12Å; Y132-A364 WeakPolarHBondContact OH-CB 3.43Å; A341-A364 CarbonylContact C-O 3.55Å; A341-A364 WeakPolarHBondContact CA-O 3.27Å; A341-A364 HydrophobicContact CB-CB 4.17Å; A341-A364 WeakPolarHBondContact CB-O 3.25Å; Y342-A364 PolarHBondContact N-O 3.46Å; A364-N366 PolarHBondContact O-N 3.42Å; A364-N366 PolarHBondContact O-ND2 3.07Å; A364-H386 PolarHBondContact N-O 3.18Å; A364-N388 CarbonylContact C-O 3.44Å; A364-N388 WeakPolarHBondContact CA-O 3.44Å; A364-N388 WeakPolarHBondContact CB-OD1 3.46Å
365	G	97.1	Very high	96.8	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	26.7	170.9	0	0	0	0	0	115.1	Y342 N388 E389	Y342-G365 WeakPolarHBondContact CA-O 3.44Å; G365-N388 PolarHBondContact N-O 2.84Å; G365-E389 CarbonylContact C-O 3.59Å; G365-E389 WeakPolarHBondContact CA-O 3.31Å; G365-E389 PolarHBondContact N-O 2.75Å
366	N	98.8	Very high	96.9	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	19%	0.187	C	C	.	.	S	Bend	trans	-100.9	-160.4	176.6	-83.2	-73.4	0	0	0	111.2	L340 N343 Q344 I345 L363 A364 L368 N390	L340-N366 PolarHBondContact O-ND2 2.84Å; N343-N366 VanDerWaalsContact CA-OD1 3.3Å; N343-N366 WeakPolarHBondContact CA-OD1 3.37Å; N343-N366 WeakPolarHBondContact CB-OD1 3.27Å; N343-N366 PolarHBondContact N-OD1 3.48Å; N343-N366 PolarHBondContact O-OD1 3.04Å; Q344-N366 PolarHBondContact N-OD1 3.47Å; I345-N366 HydrophobicContact CB-CB 4.21Å; I345-N366 WeakPolarHBondContact CB-OD1 3.36Å; I345-N366 WeakPolarHBondContact CD1-OD1 3.3Å; I345-N366 WeakPolarHBondContact CG1-OD1 3.33Å; I345-N366 PolarHBondContact N-OD1 3.48Å; L363-N366 PolarHBondContact O-ND2 2.91Å; A364-N366 PolarHBondContact O-N 3.42Å; A364-N366 PolarHBondContact O-ND2 3.07Å; N366-L368 HydrophobicContact CB-CG 4.45Å; N366-N390 VanDerWaalsContact CA-OD1 3.25Å; N366-N390 WeakPolarHBondContact CA-OD1 3.44Å; N366-N390 WeakPolarHBondContact CB-OD1 3.42Å; N366-N390 PolarHBondContact N-OD1 2.85Å; N366-N390 PolarHBondContact O-OD1 3.48Å
367	R	98.4	Very high	96.9	Very high	82 Å²	82	39.9 Å²	39.9	31%	0.309	18%	0.184	S	C	.	.			trans	-123.4	23.6	-177.4	-58.2	178.4	-178.1	177.4	2.4	112.2	I345 E346 S369 N390	I345-R367 CarbonylContact O-C 3.14Å; I345-R367 VanDerWaalsContact O-C 3.23Å; I345-R367 VanDerWaalsContact O-CA 3.29Å; I345-R367 WeakPolarHBondContact O-CA 3.19Å; I345-R367 WeakPolarHBondContact O-CB 2.95Å; I345-R367 PolarHBondContact O-N 2.94Å; E346-R367 HydrophobicContact CG-CB 3.88Å; E346-R367 IonicContact OE1-NH1 3.85Å; R367-S369 PolarHBondContact O-N 3.5Å; R367-N390 PolarHBondContact N-OD1 3.48Å
368	L	98.5	Very high	96.7	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	17%	0.173	C	C	.	.			trans	-61.8	128.1	179.3	-59.8	174	0	0	0	109.3	I345 I348 N366 I371 L387 N390 R391 I392	I345-L368 HydrophobicContact CG2-CD2 3.91Å; I345-L368 PolarHBondContact O-N 3.13Å; I348-L368 HydrophobicContact CD1-CD1 4.02Å; I348-L368 HydrophobicContact CD1-CD2 3.95Å; I348-L368 HydrophobicContact CG1-CD2 3.82Å; N366-L368 HydrophobicContact CB-CG 4.45Å; L368-I371 HydrophobicContact CB-CD1 4.47Å; L368-I371 HydrophobicContact CD1-CD1 4.18Å; L368-L387 HydrophobicContact CD1-CD2 3.76Å; L368-N390 HydrophobicContact CB-CB 4.31Å; L368-N390 WeakPolarHBondContact CB-OD1 3.38Å; L368-N390 WeakPolarHBondContact CG-OD1 3.44Å; L368-N390 PolarHBondContact N-OD1 3.33Å; L368-N390 VanDerWaalsContact N-OD1 3.12Å; L368-R391 CarbonylContact O-C 3.43Å; L368-R391 VanDerWaalsContact O-CA 3.25Å; L368-R391 WeakPolarHBondContact O-CA 3.04Å; L368-R391 PolarHBondContact O-N 2.89Å; L368-I392 HydrophobicContact CB-CG1 4.14Å; L368-I392 WeakPolarHBondContact O-CG1 3.48Å; L368-I392 PolarHBondContact O-N 2.82Å
369	S	97.9	Very high	96.6	Very high	57 Å²	57	35.8 Å²	35.8	40%	0.399	17%	0.173	S	C	.	.			trans	-106.6	-22.7	178.5	58.6	0	0	0	0	113.8	R367 R391 I392 E393	R367-S369 PolarHBondContact O-N 3.5Å; S369-R391 WeakPolarHBondContact CA-O 3.31Å; S369-I392 CarbonylContact O-C 3.48Å; S369-I392 WeakPolarHBondContact O-CA 3.48Å; S369-E393 PolarHBondContact O-N 2.91Å
370	H	97.5	Very high	96.4	Very high	66 Å²	66	32.4 Å²	32.4	31%	0.306	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	139.5	-179.8	-162.9	88.6	0	0	0	109.6	G394 D396	H370-G394 WeakPolarHBondContact CA-O 3.09Å; H370-G394 PolarHBondContact ND1-O 2.84Å; H370-D396 IonicContact CD2-OD1 3.68Å; H370-D396 IonicContact CE1-OD1 3.06Å; H370-D396 PolarHBondContact NE2-N 3.28Å; H370-D396 IonicContact NE2-OD1 3.75Å; H370-D396 PolarHBondContact NE2-OD1 2.67Å
371	I	97.4	Very high	96.3	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.4	174	-52.8	-56.5	0	0	0	108.4	L368 F376 L387 I392 G394 F395 D396 A399 F400	L368-I371 HydrophobicContact CB-CD1 4.47Å; L368-I371 HydrophobicContact CD1-CD1 4.18Å; I371-F376 HydrophobicContact CG2-CD2 4.35Å; I371-F376 HydrophobicContact CG2-CE2 3.62Å; I371-F376 HydrophobicContact CG2-CZ 4.42Å; I371-L387 HydrophobicContact CD1-CD1 4.37Å; I371-L387 HydrophobicContact CD1-CD2 4.15Å; I371-L387 HydrophobicContact CG1-CD1 4.37Å; I371-I392 HydrophobicContact CD1-CD1 3.89Å; I371-I392 HydrophobicContact CD1-CG1 4.31Å; I371-I392 HydrophobicContact CG1-CD1 3.97Å; I371-I392 HydrophobicContact CG1-CG1 4.44Å; I371-I392 HydrophobicContact CG1-CG2 4.36Å; I371-G394 PolarHBondContact N-O 3.37Å; I371-F395 HydrophobicContact CB-CD1 3.81Å; I371-F395 HydrophobicContact CB-CE1 4.34Å; I371-F395 HydrophobicContact CG1-CD1 3.84Å; I371-F395 HydrophobicContact CG1-CE1 3.84Å; I371-D396 PolarHBondContact O-N 2.97Å; I371-A399 HydrophobicContact CB-CB 4.38Å; I371-A399 HydrophobicContact CG2-CB 3.87Å; I371-F400 HydrophobicContact CG2-CE1 4.3Å
372	R	96.3	Very high	96.3	Very high	99 Å²	99	35.2 Å²	35.2	37%	0.374	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-92.2	163.3	-175.5	-62.6	-168.5	-166.6	86.1	3.5	112.3	D347 T375 D396	D347-R372 IonicContact OD1-CZ 2.79Å; D347-R372 IonicContact OD1-NH1 3.75Å; D347-R372 PolarHBondContact OD1-NH1 2.95Å; D347-R372 IonicContact OD1-NH2 3.67Å; D347-R372 PolarHBondContact OD1-NH2 3.03Å; D347-R372 IonicContact OD2-NH1 3.8Å; D347-R372 PolarHBondContact OD2-NH1 3.45Å; R372-T375 PolarHBondContact O-N 3.38Å; R372-T375 PolarHBondContact O-OG1 3.49Å; R372-T375 VanDerWaalsContact O-OG1 3.1Å; R372-D396 WeakPolarHBondContact CA-OD2 3.46Å; R372-D396 WeakPolarHBondContact CB-OD2 3.38Å
373	D	95.8	Very high	96.2	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	145.5	166.8	-65.9	-24.8	0	0	0	110.7	T375 D396 E398 A399	D373-T375 PolarHBondContact O-N 3.46Å; D373-D396 HydrophobicContact CB-CB 4.45Å; D373-D396 PolarHBondContact N-OD2 2.96Å; D373-D396 VanDerWaalsContact N-OD2 3.13Å; D373-D396 WeakPolarHBondContact OD1-CB 3.22Å; D373-E398 VanDerWaalsContact OD1-CA 3.24Å; D373-E398 WeakPolarHBondContact OD1-CA 3.45Å; D373-E398 WeakPolarHBondContact OD1-CB 3.31Å; D373-E398 PolarHBondContact OD1-N 3.23Å; D373-A399 PolarHBondContact OD1-N 3.44Å
374	E	94.7	Very high	96.2	Very high	104 Å²	104	38.1 Å²	38.1	49%	0.486	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	0.3	177.1	-54	-179.4	-166.2	0	0	117.2	A350 N351 F376 C377	A350-E374 HydrophobicContact CB-CB 3.87Å; N351-E374 PolarHBondContact N-O 2.89Å; N351-E374 PolarHBondContact ND2-OE2 3.26Å; N351-E374 VanDerWaalsContact ND2-OE2 3.08Å; E374-F376 PolarHBondContact O-N 3.33Å; E374-F376 VanDerWaalsContact O-N 3.08Å; E374-C377 HydrophobicContact CB-CB 4.3Å; E374-C377 PolarHBondContact O-N 3.21Å
375	T	95.8	Very high	96.2	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.025	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.2	176.6	-67.1	0	0	0	0	111.9	I348 R372 D373	I348-T375 HydrophobicContact CB-CG2 3.81Å; I348-T375 HydrophobicContact CG2-CG2 3.64Å; R372-T375 PolarHBondContact O-N 3.38Å; R372-T375 PolarHBondContact O-OG1 3.49Å; R372-T375 VanDerWaalsContact O-OG1 3.1Å; D373-T375 PolarHBondContact O-N 3.46Å
376	F	96.5	Very high	96.2	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	16.8	-177.5	-52.7	-64.3	0	0	0	114.6	F353 L361 L363 I371 E374 N378 L379 L385 L387 F400 L403	F353-F376 HydrophobicContact CD2-CD1 4.2Å; F353-F376 HydrophobicContact CE2-CD1 4.07Å; F353-F376 AromaticContact CE2-CE1 3.99Å; F353-F376 HydrophobicContact CE2-CE1 3.99Å; L361-F376 HydrophobicContact CD2-CD1 4.15Å; L361-F376 HydrophobicContact CD2-CE1 3.99Å; L363-F376 HydrophobicContact CD1-CE1 3.96Å; L363-F376 HydrophobicContact CD1-CZ 4.27Å; I371-F376 HydrophobicContact CG2-CD2 4.35Å; I371-F376 HydrophobicContact CG2-CE2 3.62Å; I371-F376 HydrophobicContact CG2-CZ 4.42Å; E374-F376 PolarHBondContact O-N 3.33Å; E374-F376 VanDerWaalsContact O-N 3.08Å; F376-N378 VanDerWaalsContact C-N 3.26Å; F376-N378 PolarHBondContact O-N 3.28Å; F376-N378 VanDerWaalsContact O-N 3.11Å; F376-L379 HydrophobicContact CB-CD1 4.25Å; F376-L379 HydrophobicContact CD1-CD1 3.99Å; F376-L379 WeakPolarHBondContact O-CB 3.01Å; F376-L379 PolarHBondContact O-N 3.47Å; F376-L385 HydrophobicContact CD2-CD2 4.21Å; F376-L385 HydrophobicContact CE1-CD1 4.17Å; F376-L385 HydrophobicContact CE1-CD2 4.48Å; F376-L385 HydrophobicContact CE2-CD2 3.92Å; F376-L385 HydrophobicContact CZ-CD1 4.25Å; F376-L385 HydrophobicContact CZ-CD2 4.08Å; F376-L387 HydrophobicContact CZ-CD1 4.47Å; F376-L387 HydrophobicContact CZ-CD2 4.35Å; F376-F400 HydrophobicContact CD2-CD1 4.11Å; F376-F400 HydrophobicContact CD2-CE1 4.24Å; F376-F400 HydrophobicContact CE2-CD1 4.28Å; F376-F400 AromaticContact CE2-CE1 3.94Å; F376-F400 HydrophobicContact CE2-CE1 3.94Å; F376-L403 HydrophobicContact CB-CD1 4.1Å; F376-L403 HydrophobicContact CB-CD2 3.83Å; F376-L403 HydrophobicContact CB-CG 4.08Å; F376-L403 HydrophobicContact CD2-CD1 4.24Å; F376-L403 HydrophobicContact CG-CD1 4.35Å
377	C	92.8	Very high	96.2	Very high	43 Å²	43	37 Å²	37	29%	0.291	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.9	-164.4	-158.8	0	0	0	0	116	E374 L379 C402	E374-C377 HydrophobicContact CB-CB 4.3Å; E374-C377 PolarHBondContact O-N 3.21Å; C377-L379 VanDerWaalsContact C-N 3.29Å; C377-L379 PolarHBondContact O-N 3.25Å; C377-C402 VanDerWaalsContact CA-CB 3.48Å; C377-C402 WeakPolarHBondContact CA-SG 3.45Å; C377-C402 HydrophobicContact CB-CB 3.86Å; C377-C402 WeakPolarHBondContact CB-SG 3.43Å; C377-C402 WeakPolarHBondContact O-CB 3.09Å; C377-C402 WeakPolarHBondContact SG-CB 3.44Å; C377-C402 CovalentContact SG-SG 2.06Å; C377-C402 PolarHBondContact SG-SG 3.18Å
378	N	92.2	Very high	96.1	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.1	178	-71.3	-33.7	0	0	0	114.2	N351 F353 F376 S380	N351-N378 PolarHBondContact O-ND2 2.73Å; F353-N378 WeakPolarHBondContact O-CB 3.39Å; F376-N378 VanDerWaalsContact C-N 3.26Å; F376-N378 PolarHBondContact O-N 3.28Å; F376-N378 VanDerWaalsContact O-N 3.11Å; N378-S380 PolarHBondContact O-N 3.11Å
379	L	96.2	Very high	96	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.199	C	C	.	.			trans	-101.6	48.5	-172.4	-58.1	-177.4	0	0	0	112.7	F353 F355 L358 L361 F376 C377 N381 L382 L403	F353-L379 HydrophobicContact CB-CD1 4.07Å; F353-L379 HydrophobicContact CB-CD2 3.69Å; F353-L379 HydrophobicContact CB-CG 4.06Å; F353-L379 HydrophobicContact CD2-CD1 3.96Å; F353-L379 HydrophobicContact CG-CD1 4.26Å; F355-L379 HydrophobicContact CB-CD2 4.26Å; L358-L379 HydrophobicContact CB-CD2 3.97Å; L358-L379 HydrophobicContact CD2-CD1 4.26Å; L358-L379 HydrophobicContact CD2-CD2 3.74Å; L361-L379 HydrophobicContact CD2-CD1 3.71Å; F376-L379 HydrophobicContact CB-CD1 4.25Å; F376-L379 HydrophobicContact CD1-CD1 3.99Å; F376-L379 WeakPolarHBondContact O-CB 3.01Å; F376-L379 PolarHBondContact O-N 3.47Å; C377-L379 VanDerWaalsContact C-N 3.29Å; C377-L379 PolarHBondContact O-N 3.25Å; L379-N381 PolarHBondContact O-N 3.07Å; L379-N381 VanDerWaalsContact O-N 3.13Å; L379-L382 HydrophobicContact CB-CB 4.05Å; L379-L382 HydrophobicContact CB-CD2 4.36Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 HydrophobicContact CD1-CD2 4.11Å; L379-L382 VanDerWaalsContact O-CB 3.25Å; L379-L382 WeakPolarHBondContact O-CB 3.27Å; L379-L382 PolarHBondContact O-N 2.92Å; L379-L403 HydrophobicContact CB-CD2 3.92Å; L379-L403 WeakPolarHBondContact O-CD2 3.49Å
380	S	91	Very high	96	Very high	58 Å²	58	36.1 Å²	36.1	41%	0.406	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.7	-175	58	0	0	0	0	115.5	N378 N405	N378-S380 PolarHBondContact O-N 3.11Å; S380-N405 WeakPolarHBondContact O-CB 3.35Å; S380-N405 PolarHBondContact O-ND2 3.4Å
381	N	95.5	Very high	96.1	Very high	70 Å²	70	38.1 Å²	38.1	37%	0.374	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	7.1	178	-74.6	-59.8	0	0	0	114	P356 L358 L379 Q383 N405	P356-N381 PolarHBondContact O-ND2 3.16Å; L358-N381 CarbonylContact O-C 3.38Å; L379-N381 PolarHBondContact O-N 3.07Å; L379-N381 VanDerWaalsContact O-N 3.13Å; N381-Q383 PolarHBondContact O-N 2.89Å; N381-N405 PolarHBondContact OD1-ND2 3.26Å
382	L	97.7	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.			trans	-64.6	128	-178.5	-162.9	71.1	0	0	0	109.9	L358 L361 L379 L385 L403 N405 L406	L358-L382 HydrophobicContact CD2-CD1 4.02Å; L358-L382 HydrophobicContact CG-CD1 4.22Å; L358-L382 VanDerWaalsContact O-CA 3.28Å; L358-L382 WeakPolarHBondContact O-CA 3.2Å; L358-L382 PolarHBondContact O-N 3.4Å; L358-L382 VanDerWaalsContact O-N 3.16Å; L361-L382 HydrophobicContact CB-CD1 3.78Å; L361-L382 HydrophobicContact CB-CD2 4.43Å; L379-L382 HydrophobicContact CB-CB 4.05Å; L379-L382 HydrophobicContact CB-CD2 4.36Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 HydrophobicContact CD1-CD2 4.11Å; L379-L382 VanDerWaalsContact O-CB 3.25Å; L379-L382 WeakPolarHBondContact O-CB 3.27Å; L379-L382 PolarHBondContact O-N 2.92Å; L382-L385 HydrophobicContact CD2-CB 3.98Å; L382-L385 HydrophobicContact CD2-CD1 4.33Å; L382-L385 HydrophobicContact CD2-CD2 4.48Å; L382-L385 HydrophobicContact CD2-CG 4.49Å; L382-L403 HydrophobicContact CB-CD2 4.06Å; L382-L403 HydrophobicContact CD2-CD1 4.4Å; L382-L403 HydrophobicContact CD2-CD2 3.83Å; L382-N405 CarbonylContact O-C 3.51Å; L382-L406 HydrophobicContact CD2-CD1 4.04Å; L382-L406 HydrophobicContact CG-CD1 4.11Å; L382-L406 WeakPolarHBondContact O-CA 3.29Å; L382-L406 PolarHBondContact O-N 2.65Å
383	Q	95.8	Very high	96.1	Very high	63 Å²	63	39.3 Å²	39.3	29%	0.294	20%	0.197	S	C	.	.			trans	-103.5	-39	176.7	-65.1	179.2	-23.5	0	0	110.6	R359 Y360 N381 L406 S407 S408	R359-Q383 HydrophobicContact CB-CG 4.47Å; R359-Q383 PolarHBondContact O-N 3Å; Y360-Q383 HydrophobicContact CE1-CB 4.1Å; Y360-Q383 PolarHBondContact OH-OE1 3.16Å; N381-Q383 PolarHBondContact O-N 2.89Å; Q383-L406 WeakPolarHBondContact O-CD1 3.21Å; Q383-S407 PolarHBondContact O-N 3.43Å; Q383-S407 PolarHBondContact O-OG 2.97Å; Q383-S408 PolarHBondContact O-N 2.96Å
384	G	96.4	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.1	-177.3	0	0	0	0	0	113.9	R359 L361 S408	R359-G384 PolarHBondContact O-N 3.27Å; L361-G384 PolarHBondContact N-O 2.87Å; G384-S408 WeakPolarHBondContact CA-O 3.1Å
385	L	98	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.1	174.5	-179.7	56.8	0	0	0	110.6	L361 L363 F376 L382 L387 F400 L403 L406 S408 L409 L410	L361-L385 HydrophobicContact CB-CD1 4.18Å; L361-L385 HydrophobicContact CD2-CD1 4Å; L361-L385 HydrophobicContact CG-CD1 4.11Å; L363-L385 HydrophobicContact CD1-CD1 4.34Å; F376-L385 HydrophobicContact CD2-CD2 4.21Å; F376-L385 HydrophobicContact CE1-CD1 4.17Å; F376-L385 HydrophobicContact CE1-CD2 4.48Å; F376-L385 HydrophobicContact CE2-CD2 3.92Å; F376-L385 HydrophobicContact CZ-CD1 4.25Å; F376-L385 HydrophobicContact CZ-CD2 4.08Å; L382-L385 HydrophobicContact CD2-CB 3.98Å; L382-L385 HydrophobicContact CD2-CD1 4.33Å; L382-L385 HydrophobicContact CD2-CD2 4.48Å; L382-L385 HydrophobicContact CD2-CG 4.49Å; L385-L387 HydrophobicContact CD1-CG 4.24Å; L385-L387 HydrophobicContact CD2-CD1 3.94Å; L385-L387 HydrophobicContact CD2-CG 4.41Å; L385-L387 HydrophobicContact CG-CD1 4.11Å; L385-L387 HydrophobicContact CG-CG 4.06Å; L385-F400 HydrophobicContact CD2-CD1 4.39Å; L385-F400 HydrophobicContact CD2-CE1 4.03Å; L385-L403 HydrophobicContact CD2-CD1 3.89Å; L385-L406 HydrophobicContact CB-CD1 3.66Å; L385-L406 HydrophobicContact CB-CD2 4.46Å; L385-S408 PolarHBondContact N-O 3.28Å; L385-L409 HydrophobicContact CB-CD1 4.03Å; L385-L409 HydrophobicContact CD2-CD1 3.99Å; L385-L409 HydrophobicContact CG-CD1 3.99Å; L385-L409 WeakPolarHBondContact O-CA 3.1Å; L385-L410 PolarHBondContact O-N 2.94Å
386	H	97	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.4	179	-69.8	-126.4	0	0	0	110.1	D129 Y132 L361 F362 L363 A364 L410	D129-H386 IonicContact OD1-CE1 2.95Å; Y132-H386 WeakPolarHBondContact CB-CE1 3.33Å; Y132-H386 AromaticContact CD1-CE1 3.7Å; Y132-H386 AromaticContact CD1-ND1 3.67Å; Y132-H386 AromaticContact CD2-CE1 3.73Å; Y132-H386 AromaticContact CD2-CG 3.98Å; Y132-H386 AromaticContact CD2-ND1 3.3Å; Y132-H386 VanDerWaalsContact CD2-ND1 3.3Å; Y132-H386 WeakPolarHBondContact CD2-ND1 3.46Å; Y132-H386 AromaticContact CE2-ND1 3.73Å; Y132-H386 AromaticContact CG-CE1 3.23Å; Y132-H386 AromaticContact CG-ND1 3.24Å; L361-H386 PolarHBondContact O-N 3.01Å; F362-H386 HydrophobicContact CD1-CB 3.91Å; F362-H386 AromaticContact CD1-CD2 3.56Å; F362-H386 AromaticContact CD1-CG 3.57Å; F362-H386 AromaticContact CE1-CD2 3.57Å; F362-H386 AromaticContact CE1-CG 4Å; F362-H386 AromaticContact CE1-NE2 3.7Å; L363-H386 CarbonylContact C-O 3.46Å; L363-H386 VanDerWaalsContact C-O 3.3Å; L363-H386 VanDerWaalsContact CA-O 3.26Å; L363-H386 WeakPolarHBondContact CA-O 3.49Å; L363-H386 VanDerWaalsContact CB-O 3.32Å; L363-H386 WeakPolarHBondContact CB-O 3.31Å; L363-H386 PolarHBondContact N-O 3.47Å; A364-H386 PolarHBondContact N-O 3.18Å; H386-L410 VanDerWaalsContact CE1-CD2 3.41Å; H386-L410 WeakPolarHBondContact CE1-CD2 3.46Å; H386-L410 WeakPolarHBondContact ND1-CD2 3.5Å
387	L	98.2	Very high	96.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.			trans	-114.2	12.9	177.1	-73.3	170	0	0	0	111.7	L363 L368 I371 F376 L385 N390 I392 F400 L409 L410 L411 N414	L363-L387 HydrophobicContact CB-CD2 4.04Å; L363-L387 HydrophobicContact CD1-CD2 3.99Å; L368-L387 HydrophobicContact CD1-CD2 3.76Å; I371-L387 HydrophobicContact CD1-CD1 4.37Å; I371-L387 HydrophobicContact CD1-CD2 4.15Å; I371-L387 HydrophobicContact CG1-CD1 4.37Å; F376-L387 HydrophobicContact CZ-CD1 4.47Å; F376-L387 HydrophobicContact CZ-CD2 4.35Å; L385-L387 HydrophobicContact CD1-CG 4.24Å; L385-L387 HydrophobicContact CD2-CD1 3.94Å; L385-L387 HydrophobicContact CD2-CG 4.41Å; L385-L387 HydrophobicContact CG-CD1 4.11Å; L385-L387 HydrophobicContact CG-CG 4.06Å; L387-N390 PolarHBondContact O-ND2 2.97Å; L387-N390 VanDerWaalsContact O-ND2 3.1Å; L387-I392 HydrophobicContact CB-CD1 4.04Å; L387-I392 HydrophobicContact CD1-CD1 4.44Å; L387-I392 HydrophobicContact CD2-CD1 4.37Å; L387-F400 HydrophobicContact CD1-CE1 4.09Å; L387-F400 HydrophobicContact CD1-CZ 4.22Å; L387-L409 HydrophobicContact CD1-CD1 4.35Å; L387-L410 CarbonylContact C-O 3.6Å; L387-L410 WeakPolarHBondContact CA-O 3.35Å; L387-L410 WeakPolarHBondContact CB-O 3.44Å; L387-L410 PolarHBondContact N-O 3.02Å; L387-L411 HydrophobicContact CB-CD2 3.95Å; L387-L411 HydrophobicContact CD1-CD2 4.08Å; L387-N414 PolarHBondContact O-ND2 3.13Å
388	N	96.5	Very high	96.4	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.064	21%	0.212	C	C	.	.			trans	-64.4	160.5	-179.3	57.1	-63.8	0	0	0	112.9	A364 G365 N390 L410 T412	A364-N388 CarbonylContact C-O 3.44Å; A364-N388 WeakPolarHBondContact CA-O 3.44Å; A364-N388 WeakPolarHBondContact CB-OD1 3.46Å; G365-N388 PolarHBondContact N-O 2.84Å; N388-N390 PolarHBondContact O-N 3.23Å; N388-N390 PolarHBondContact O-ND2 2.97Å; N388-N390 VanDerWaalsContact O-ND2 3.1Å; N388-L410 HydrophobicContact CB-CB 4.31Å; N388-L410 PolarHBondContact N-O 3.24Å; N388-T412 CarbonylContact C-O 3.59Å; N388-T412 WeakPolarHBondContact CA-O 3.13Å; N388-T412 VanDerWaalsContact CB-O 3.31Å; N388-T412 WeakPolarHBondContact CB-O 3.49Å; N388-T412 WeakPolarHBondContact CB-OG1 3.34Å
389	E	96.7	Very high	96.6	Very high	102 Å²	102	39.6 Å²	39.6	48%	0.477	20%	0.198	S	C	.	.	S	Bend	trans	54.7	38.2	177.4	-59.9	-60.1	136.1	0	0	113.3	G365 T412	G365-E389 CarbonylContact C-O 3.59Å; G365-E389 WeakPolarHBondContact CA-O 3.31Å; G365-E389 PolarHBondContact N-O 2.75Å; E389-T412 PolarHBondContact N-O 3.34Å
390	N	98.7	Very high	96.6	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.043	20%	0.198	C	C	.	.	S	Bend	trans	-106.9	-158.5	173.6	-86.9	-83.9	0	0	0	110.2	L363 N366 R367 L368 L387 N388 I392 G413 N414	L363-N390 PolarHBondContact O-ND2 3.43Å; N366-N390 VanDerWaalsContact CA-OD1 3.25Å; N366-N390 WeakPolarHBondContact CA-OD1 3.44Å; N366-N390 WeakPolarHBondContact CB-OD1 3.42Å; N366-N390 PolarHBondContact N-OD1 2.85Å; N366-N390 PolarHBondContact O-OD1 3.48Å; R367-N390 PolarHBondContact N-OD1 3.48Å; L368-N390 HydrophobicContact CB-CB 4.31Å; L368-N390 WeakPolarHBondContact CB-OD1 3.38Å; L368-N390 WeakPolarHBondContact CG-OD1 3.44Å; L368-N390 PolarHBondContact N-OD1 3.33Å; L368-N390 VanDerWaalsContact N-OD1 3.12Å; L387-N390 PolarHBondContact O-ND2 2.97Å; L387-N390 VanDerWaalsContact O-ND2 3.1Å; N388-N390 PolarHBondContact O-N 3.23Å; N388-N390 PolarHBondContact O-ND2 2.97Å; N388-N390 VanDerWaalsContact O-ND2 3.1Å; N390-I392 HydrophobicContact CB-CD1 4.18Å; N390-I392 HydrophobicContact CB-CG1 4.02Å; N390-G413 VanDerWaalsContact O-O 3.14Å; N390-N414 WeakPolarHBondContact CA-OD1 3.36Å; N390-N414 WeakPolarHBondContact CB-OD1 2.88Å
391	R	98.1	Very high	96.7	Very high	109 Å²	109	37.9 Å²	37.9	41%	0.411	19%	0.187	S	C	.	.			trans	-126.8	27.6	178.9	-58.6	177.2	-175.6	175	-1.1	110.8	L368 S369 E393 N414	L368-R391 CarbonylContact O-C 3.43Å; L368-R391 VanDerWaalsContact O-CA 3.25Å; L368-R391 WeakPolarHBondContact O-CA 3.04Å; L368-R391 PolarHBondContact O-N 2.89Å; S369-R391 WeakPolarHBondContact CA-O 3.31Å; R391-E393 PolarHBondContact O-N 3.2Å; R391-N414 PolarHBondContact N-OD1 3.28Å
392	I	98.6	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.			trans	-65.7	123.6	-170.4	-59.2	165.6	0	0	0	108.7	L368 S369 I371 L387 N390 G394 F395 N414 R415 F416	L368-I392 HydrophobicContact CB-CG1 4.14Å; L368-I392 WeakPolarHBondContact O-CG1 3.48Å; L368-I392 PolarHBondContact O-N 2.82Å; S369-I392 CarbonylContact O-C 3.48Å; S369-I392 WeakPolarHBondContact O-CA 3.48Å; I371-I392 HydrophobicContact CD1-CD1 3.89Å; I371-I392 HydrophobicContact CD1-CG1 4.31Å; I371-I392 HydrophobicContact CG1-CD1 3.97Å; I371-I392 HydrophobicContact CG1-CG1 4.44Å; I371-I392 HydrophobicContact CG1-CG2 4.36Å; L387-I392 HydrophobicContact CB-CD1 4.04Å; L387-I392 HydrophobicContact CD1-CD1 4.44Å; L387-I392 HydrophobicContact CD2-CD1 4.37Å; N390-I392 HydrophobicContact CB-CD1 4.18Å; N390-I392 HydrophobicContact CB-CG1 4.02Å; I392-G394 WeakPolarHBondContact CG2-O 3.38Å; I392-F395 HydrophobicContact CG2-CD1 4.48Å; I392-F395 HydrophobicContact CG2-CE1 3.87Å; I392-F395 HydrophobicContact CG2-CE2 3.98Å; I392-F395 HydrophobicContact CG2-CZ 3.59Å; I392-N414 HydrophobicContact CB-CB 4.27Å; I392-N414 VanDerWaalsContact CB-OD1 3.29Å; I392-N414 WeakPolarHBondContact CB-OD1 3.25Å; I392-N414 VanDerWaalsContact CG1-OD1 3.3Å; I392-N414 WeakPolarHBondContact CG1-OD1 3.44Å; I392-N414 PolarHBondContact N-OD1 2.92Å; I392-R415 CarbonylContact O-C 3.22Å; I392-R415 WeakPolarHBondContact O-CA 3.04Å; I392-R415 PolarHBondContact O-N 3.37Å; I392-F416 HydrophobicContact CB-CD1 4.43Å; I392-F416 HydrophobicContact CG2-CD1 4.33Å; I392-F416 PolarHBondContact O-N 3.09Å
393	E	97	Very high	96.6	Very high	126 Å²	126	36.2 Å²	36.2	59%	0.589	18%	0.181	S	C	*	.			trans	-103.5	-23	177.8	-70.6	175.1	-170.6	0	0	111.7	S369 R391 R415 F416	S369-E393 PolarHBondContact O-N 2.91Å; R391-E393 PolarHBondContact O-N 3.2Å; E393-R415 HydrophobicContact CG-CB 3.88Å; E393-R415 IonicContact OE1-NH1 3.61Å; E393-F416 WeakPolarHBondContact O-CB 3.43Å
394	G	95.4	Very high	96.4	Very high	17 Å²	17	39.4 Å²	39.4	18%	0.175	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	175.7	179.9	0	0	0	0	0	114.3	H370 I371 I392	H370-G394 WeakPolarHBondContact CA-O 3.09Å; H370-G394 PolarHBondContact ND1-O 2.84Å; I371-G394 PolarHBondContact N-O 3.37Å; I392-G394 WeakPolarHBondContact CG2-O 3.38Å
395	F	97.4	Very high	96.2	Very high	27 Å²	27	42.8 Å²	42.8	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.8	-178.5	-53.1	-96.5	0	0	0	108.3	I371 I392 A399 F400 L411 F416 L419 V423	I371-F395 HydrophobicContact CB-CD1 3.81Å; I371-F395 HydrophobicContact CB-CE1 4.34Å; I371-F395 HydrophobicContact CG1-CD1 3.84Å; I371-F395 HydrophobicContact CG1-CE1 3.84Å; I392-F395 HydrophobicContact CG2-CD1 4.48Å; I392-F395 HydrophobicContact CG2-CE1 3.87Å; I392-F395 HydrophobicContact CG2-CE2 3.98Å; I392-F395 HydrophobicContact CG2-CZ 3.59Å; F395-A399 HydrophobicContact CB-CB 4.36Å; F395-F400 AromaticContact CD1-CE2 3.69Å; F395-F400 HydrophobicContact CD1-CE2 3.69Å; F395-F400 AromaticContact CD1-CZ 3.67Å; F395-F400 HydrophobicContact CD1-CZ 3.67Å; F395-F400 AromaticContact CE1-CE2 3.98Å; F395-F400 HydrophobicContact CE1-CE2 3.98Å; F395-F400 AromaticContact CE1-CZ 3.7Å; F395-F400 HydrophobicContact CE1-CZ 3.7Å; F395-F400 HydrophobicContact CG-CE2 4.5Å; F395-L411 HydrophobicContact CE1-CD2 4.06Å; F395-L411 HydrophobicContact CZ-CD2 3.94Å; F395-F416 AromaticContact CE2-CD1 3.82Å; F395-F416 HydrophobicContact CE2-CD1 3.82Å; F395-F416 HydrophobicContact CE2-CD2 4.32Å; F395-F416 HydrophobicContact CE2-CE1 4.06Å; F395-F416 AromaticContact CE2-CG 3.98Å; F395-F416 HydrophobicContact CE2-CG 3.98Å; F395-F416 HydrophobicContact CE2-CZ 4.41Å; F395-F416 AromaticContact CZ-CD1 3.98Å; F395-F416 HydrophobicContact CZ-CD1 3.98Å; F395-F416 AromaticContact CZ-CE1 3.87Å; F395-F416 HydrophobicContact CZ-CE1 3.87Å; F395-F416 HydrophobicContact CZ-CZ 4.37Å; F395-L419 HydrophobicContact CD2-CD1 3.5Å; F395-L419 VanDerWaalsContact CD2-CD1 3.5Å; F395-L419 HydrophobicContact CE2-CD1 3.72Å; F395-L419 HydrophobicContact CG-CD1 4.27Å; F395-V423 HydrophobicContact CB-CG1 3.85Å; F395-V423 HydrophobicContact CB-CG2 4.25Å; F395-V423 HydrophobicContact CG-CG1 4.2Å
396	D	97.2	Very high	96.1	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.283	21%	0.212	S	C	.	.			trans	-68.4	157.6	162.1	-66.1	-16.6	0	0	0	109.9	H370 I371 R372 D373 E398 A399	H370-D396 IonicContact CD2-OD1 3.68Å; H370-D396 IonicContact CE1-OD1 3.06Å; H370-D396 PolarHBondContact NE2-N 3.28Å; H370-D396 IonicContact NE2-OD1 3.75Å; H370-D396 PolarHBondContact NE2-OD1 2.67Å; I371-D396 PolarHBondContact O-N 2.97Å; R372-D396 WeakPolarHBondContact CA-OD2 3.46Å; R372-D396 WeakPolarHBondContact CB-OD2 3.38Å; D373-D396 HydrophobicContact CB-CB 4.45Å; D373-D396 PolarHBondContact N-OD2 2.96Å; D373-D396 VanDerWaalsContact N-OD2 3.13Å; D373-D396 WeakPolarHBondContact OD1-CB 3.22Å; D396-E398 VanDerWaalsContact C-N 3.28Å; D396-E398 PolarHBondContact O-N 2.96Å; D396-A399 VanDerWaalsContact O-CB 3.23Å; D396-A399 WeakPolarHBondContact O-CB 3.32Å; D396-A399 PolarHBondContact O-N 2.73Å
397	L	94.6	Very high	95.9	Very high	85 Å²	85	43.9 Å²	43.9	45%	0.445	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.3	-172.5	-73.4	171.9	0	0	0	113	R422 V423	L397-R422 HydrophobicContact CD2-CB 4.23Å; L397-V423 HydrophobicContact CD2-CG2 4.45Å
398	E	95.6	Very high	95.8	Very high	97 Å²	97	43.9 Å²	43.9	45%	0.453	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	17.5	-177.8	-58.3	-64.6	151.5	0	0	111.9	D373 D396 F400 A401 N426	D373-E398 VanDerWaalsContact OD1-CA 3.24Å; D373-E398 WeakPolarHBondContact OD1-CA 3.45Å; D373-E398 WeakPolarHBondContact OD1-CB 3.31Å; D373-E398 PolarHBondContact OD1-N 3.23Å; D396-E398 VanDerWaalsContact C-N 3.28Å; D396-E398 PolarHBondContact O-N 2.96Å; E398-F400 PolarHBondContact O-N 3.39Å; E398-A401 HydrophobicContact CB-CB 3.92Å; E398-A401 VanDerWaalsContact O-CB 3.32Å; E398-A401 WeakPolarHBondContact O-CB 3.35Å; E398-A401 PolarHBondContact O-N 3.49Å; E398-A401 WeakPolarHBondContact OE2-CB 3.34Å; E398-N426 PolarHBondContact OE2-ND2 3.39Å; E398-N426 VanDerWaalsContact OE2-ND2 3.1Å
399	A	96.5	Very high	95.8	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-34.4	-179.2	0	0	0	0	0	113.8	I371 D373 F395 D396	I371-A399 HydrophobicContact CB-CB 4.38Å; I371-A399 HydrophobicContact CG2-CB 3.87Å; D373-A399 PolarHBondContact OD1-N 3.44Å; F395-A399 HydrophobicContact CB-CB 4.36Å; D396-A399 VanDerWaalsContact O-CB 3.23Å; D396-A399 WeakPolarHBondContact O-CB 3.32Å; D396-A399 PolarHBondContact O-N 2.73Å
400	F	96.5	Very high	95.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	10.7	-179.3	-54.7	-58.3	0	0	0	114.1	I371 F376 L385 L387 F395 E398 C402 L403 L409 V423 L424 L427	I371-F400 HydrophobicContact CG2-CE1 4.3Å; F376-F400 HydrophobicContact CD2-CD1 4.11Å; F376-F400 HydrophobicContact CD2-CE1 4.24Å; F376-F400 HydrophobicContact CE2-CD1 4.28Å; F376-F400 AromaticContact CE2-CE1 3.94Å; F376-F400 HydrophobicContact CE2-CE1 3.94Å; L385-F400 HydrophobicContact CD2-CD1 4.39Å; L385-F400 HydrophobicContact CD2-CE1 4.03Å; L387-F400 HydrophobicContact CD1-CE1 4.09Å; L387-F400 HydrophobicContact CD1-CZ 4.22Å; F395-F400 AromaticContact CD1-CE2 3.69Å; F395-F400 HydrophobicContact CD1-CE2 3.69Å; F395-F400 AromaticContact CD1-CZ 3.67Å; F395-F400 HydrophobicContact CD1-CZ 3.67Å; F395-F400 AromaticContact CE1-CE2 3.98Å; F395-F400 HydrophobicContact CE1-CE2 3.98Å; F395-F400 AromaticContact CE1-CZ 3.7Å; F395-F400 HydrophobicContact CE1-CZ 3.7Å; F395-F400 HydrophobicContact CG-CE2 4.5Å; E398-F400 PolarHBondContact O-N 3.39Å; F400-C402 PolarHBondContact O-N 2.9Å; F400-C402 VanDerWaalsContact O-N 3.08Å; F400-L403 HydrophobicContact CB-CD1 4.3Å; F400-L403 HydrophobicContact CD1-CD1 3.82Å; F400-L403 WeakPolarHBondContact O-CB 3.29Å; F400-L403 PolarHBondContact O-N 2.79Å; F400-L403 VanDerWaalsContact O-N 3.07Å; F400-L409 HydrophobicContact CE2-CD2 4.45Å; F400-L409 HydrophobicContact CZ-CD2 4.45Å; F400-V423 HydrophobicContact CD2-CG1 3.63Å; F400-V423 HydrophobicContact CE2-CG1 3.75Å; F400-L424 HydrophobicContact CD2-CD2 4.34Å; F400-L424 HydrophobicContact CE2-CD2 4.49Å; F400-L427 HydrophobicContact CB-CD1 4.13Å; F400-L427 HydrophobicContact CB-CD2 3.94Å; F400-L427 HydrophobicContact CB-CG 4.16Å; F400-L427 HydrophobicContact CD2-CD1 4.42Å; F400-L427 HydrophobicContact CG-CD1 4.42Å
401	A	94.1	Very high	95.6	Very high	21 Å²	21	38.5 Å²	38.5	17%	0.174	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.3	-168.4	0	0	0	0	0	115	E398	E398-A401 HydrophobicContact CB-CB 3.92Å; E398-A401 VanDerWaalsContact O-CB 3.32Å; E398-A401 WeakPolarHBondContact O-CB 3.35Å; E398-A401 PolarHBondContact O-N 3.49Å; E398-A401 WeakPolarHBondContact OE2-CB 3.34Å
402	C	94.6	Very high	95.5	Very high	35 Å²	35	35.2 Å²	35.2	24%	0.236	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.7	-176.1	-45.8	0	0	0	0	113.7	C377 F400 K404	C377-C402 VanDerWaalsContact CA-CB 3.48Å; C377-C402 WeakPolarHBondContact CA-SG 3.45Å; C377-C402 HydrophobicContact CB-CB 3.86Å; C377-C402 WeakPolarHBondContact CB-SG 3.43Å; C377-C402 WeakPolarHBondContact O-CB 3.09Å; C377-C402 WeakPolarHBondContact SG-CB 3.44Å; C377-C402 CovalentContact SG-SG 2.06Å; C377-C402 PolarHBondContact SG-SG 3.18Å; F400-C402 PolarHBondContact O-N 2.9Å; F400-C402 VanDerWaalsContact O-N 3.08Å; C402-K404 VanDerWaalsContact C-N 3.29Å; C402-K404 PolarHBondContact O-N 3.05Å
403	L	96	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.			trans	-86.5	56.2	-174.1	-65.7	-175.6	0	0	0	112.8	F376 L379 L382 L385 F400 N405 L406 L427	F376-L403 HydrophobicContact CB-CD1 4.1Å; F376-L403 HydrophobicContact CB-CD2 3.83Å; F376-L403 HydrophobicContact CB-CG 4.08Å; F376-L403 HydrophobicContact CD2-CD1 4.24Å; F376-L403 HydrophobicContact CG-CD1 4.35Å; L379-L403 HydrophobicContact CB-CD2 3.92Å; L379-L403 WeakPolarHBondContact O-CD2 3.49Å; L382-L403 HydrophobicContact CB-CD2 4.06Å; L382-L403 HydrophobicContact CD2-CD1 4.4Å; L382-L403 HydrophobicContact CD2-CD2 3.83Å; L385-L403 HydrophobicContact CD2-CD1 3.89Å; F400-L403 HydrophobicContact CB-CD1 4.3Å; F400-L403 HydrophobicContact CD1-CD1 3.82Å; F400-L403 WeakPolarHBondContact O-CB 3.29Å; F400-L403 PolarHBondContact O-N 2.79Å; F400-L403 VanDerWaalsContact O-N 3.07Å; L403-N405 VanDerWaalsContact C-N 3.25Å; L403-N405 PolarHBondContact O-N 3.31Å; L403-L406 HydrophobicContact CB-CB 4.03Å; L403-L406 HydrophobicContact CB-CD2 4.46Å; L403-L406 HydrophobicContact CD1-CD2 4.01Å; L403-L406 WeakPolarHBondContact O-CB 3.09Å; L403-L406 PolarHBondContact O-N 3.15Å; L403-L427 HydrophobicContact CB-CD2 3.72Å; L403-L427 WeakPolarHBondContact O-CD2 3.26Å
404	K	90.4	Very high	95.4	Very high	131 Å²	131	31.5 Å²	31.5	57%	0.57	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.7	-171.2	-61.3	-176.7	-178.9	-178.2	0	114.7	C402 S429	C402-K404 VanDerWaalsContact C-N 3.29Å; C402-K404 PolarHBondContact O-N 3.05Å; K404-S429 WeakPolarHBondContact O-CB 3.47Å; K404-S429 PolarHBondContact O-OG 3.49Å
405	N	94	Very high	95.3	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	9	-176.7	-66.7	-1	0	0	0	113.2	S380 N381 L382 L403 S407	S380-N405 WeakPolarHBondContact O-CB 3.35Å; S380-N405 PolarHBondContact O-ND2 3.4Å; N381-N405 PolarHBondContact OD1-ND2 3.26Å; L382-N405 CarbonylContact O-C 3.51Å; L403-N405 VanDerWaalsContact C-N 3.25Å; L403-N405 PolarHBondContact O-N 3.31Å; N405-S407 PolarHBondContact O-N 2.91Å
406	L	96.1	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-70.2	118.1	-177.7	-172.9	76.2	0	0	0	109.9	L382 Q383 L385 L403 L409 L427 S429 L430	L382-L406 HydrophobicContact CD2-CD1 4.04Å; L382-L406 HydrophobicContact CG-CD1 4.11Å; L382-L406 WeakPolarHBondContact O-CA 3.29Å; L382-L406 PolarHBondContact O-N 2.65Å; Q383-L406 WeakPolarHBondContact O-CD1 3.21Å; L385-L406 HydrophobicContact CB-CD1 3.66Å; L385-L406 HydrophobicContact CB-CD2 4.46Å; L403-L406 HydrophobicContact CB-CB 4.03Å; L403-L406 HydrophobicContact CB-CD2 4.46Å; L403-L406 HydrophobicContact CD1-CD2 4.01Å; L403-L406 WeakPolarHBondContact O-CB 3.09Å; L403-L406 PolarHBondContact O-N 3.15Å; L406-L409 HydrophobicContact CD2-CB 4.13Å; L406-L409 HydrophobicContact CD2-CD1 4.44Å; L406-L409 HydrophobicContact CD2-CD2 4.43Å; L406-L427 HydrophobicContact CB-CD2 4.15Å; L406-L427 HydrophobicContact CD2-CD1 4.27Å; L406-L427 HydrophobicContact CD2-CD2 3.89Å; L406-S429 CarbonylContact O-C 3.22Å; L406-S429 VanDerWaalsContact O-O 3.1Å; L406-L430 HydrophobicContact CD2-CD1 4.32Å; L406-L430 HydrophobicContact CG-CD1 4.33Å; L406-L430 WeakPolarHBondContact O-CA 3.32Å; L406-L430 PolarHBondContact O-N 3.31Å
407	S	92.5	Very high	94.7	Very high	23 Å²	23	40.9 Å²	40.9	16%	0.161	21%	0.209	C	C	.	.			trans	-102.8	-24.6	180	67.2	0	0	0	0	113.4	Q383 N405 S429 D431 Y432	Q383-S407 PolarHBondContact O-N 3.43Å; Q383-S407 PolarHBondContact O-OG 2.97Å; N405-S407 PolarHBondContact O-N 2.91Å; S407-S429 WeakPolarHBondContact CA-O 3.33Å; S407-D431 PolarHBondContact O-N 3.49Å; S407-Y432 PolarHBondContact O-N 2.92Å
408	S	94.5	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.4	-179.2	178.4	0	0	0	0	112.4	N126 Q383 G384 L385 L410 Y432	N126-S408 PolarHBondContact ND2-OG 2.92Å; Q383-S408 PolarHBondContact O-N 2.96Å; G384-S408 WeakPolarHBondContact CA-O 3.1Å; L385-S408 PolarHBondContact N-O 3.28Å; S408-L410 WeakPolarHBondContact OG-CD1 3.06Å; S408-Y432 CarbonylContact C-O 3.26Å; S408-Y432 WeakPolarHBondContact CA-O 3.36Å
409	L	96.7	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.7	-179.4	179.2	56.3	0	0	0	111.3	L385 L387 F400 L406 L411 L424 L427 L430 Y432 I433 Y434	L385-L409 HydrophobicContact CB-CD1 4.03Å; L385-L409 HydrophobicContact CD2-CD1 3.99Å; L385-L409 HydrophobicContact CG-CD1 3.99Å; L385-L409 WeakPolarHBondContact O-CA 3.1Å; L387-L409 HydrophobicContact CD1-CD1 4.35Å; F400-L409 HydrophobicContact CE2-CD2 4.45Å; F400-L409 HydrophobicContact CZ-CD2 4.45Å; L406-L409 HydrophobicContact CD2-CB 4.13Å; L406-L409 HydrophobicContact CD2-CD1 4.44Å; L406-L409 HydrophobicContact CD2-CD2 4.43Å; L409-L411 HydrophobicContact CD1-CD2 4.35Å; L409-L411 HydrophobicContact CD1-CG 4.25Å; L409-L411 HydrophobicContact CD2-CD1 3.94Å; L409-L411 HydrophobicContact CD2-CG 4.39Å; L409-L411 HydrophobicContact CG-CD1 4.04Å; L409-L411 HydrophobicContact CG-CG 3.99Å; L409-L424 HydrophobicContact CD2-CD2 4.25Å; L409-L427 HydrophobicContact CD2-CD1 4.22Å; L409-L430 HydrophobicContact CB-CD1 3.87Å; L409-Y432 PolarHBondContact N-O 3.36Å; L409-I433 HydrophobicContact CB-CG1 4.39Å; L409-I433 HydrophobicContact CD2-CD1 4.22Å; L409-I433 WeakPolarHBondContact O-CA 3.24Å; L409-Y434 PolarHBondContact O-N 2.98Å
410	L	95.4	Very high	94	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.2	177.5	-75.8	72.9	0	0	0	110.9	L385 H386 L387 N388 S408 Y434	L385-L410 PolarHBondContact O-N 2.94Å; H386-L410 VanDerWaalsContact CE1-CD2 3.41Å; H386-L410 WeakPolarHBondContact CE1-CD2 3.46Å; H386-L410 WeakPolarHBondContact ND1-CD2 3.5Å; L387-L410 CarbonylContact C-O 3.6Å; L387-L410 WeakPolarHBondContact CA-O 3.35Å; L387-L410 WeakPolarHBondContact CB-O 3.44Å; L387-L410 PolarHBondContact N-O 3.02Å; N388-L410 HydrophobicContact CB-CB 4.31Å; N388-L410 PolarHBondContact N-O 3.24Å; S408-L410 WeakPolarHBondContact OG-CD1 3.06Å; L410-Y434 HydrophobicContact CB-CD2 4.49Å; L410-Y434 HydrophobicContact CD1-CD2 3.56Å; L410-Y434 HydrophobicContact CD1-CE2 3.81Å; L410-Y434 HydrophobicContact CD1-CG 4.49Å; L410-Y434 HydrophobicContact CD2-CD2 4.48Å; L410-Y434 HydrophobicContact CG-CD2 3.51Å; L410-Y434 HydrophobicContact CG-CE2 4.16Å; L410-Y434 HydrophobicContact CG-CG 3.98Å
411	L	97.5	Very high	93.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.			trans	-124.9	7.8	-178	-67.7	168.5	0	0	0	113.5	L387 F395 L409 N414 F416 I433 Y434 F435	L387-L411 HydrophobicContact CB-CD2 3.95Å; L387-L411 HydrophobicContact CD1-CD2 4.08Å; F395-L411 HydrophobicContact CE1-CD2 4.06Å; F395-L411 HydrophobicContact CZ-CD2 3.94Å; L409-L411 HydrophobicContact CD1-CD2 4.35Å; L409-L411 HydrophobicContact CD1-CG 4.25Å; L409-L411 HydrophobicContact CD2-CD1 3.94Å; L409-L411 HydrophobicContact CD2-CG 4.39Å; L409-L411 HydrophobicContact CG-CD1 4.04Å; L409-L411 HydrophobicContact CG-CG 3.99Å; L411-N414 PolarHBondContact O-ND2 2.92Å; L411-F416 HydrophobicContact CB-CE1 4.19Å; L411-F416 HydrophobicContact CB-CZ 3.89Å; L411-F416 HydrophobicContact CD1-CZ 4.3Å; L411-I433 HydrophobicContact CD1-CD1 4.32Å; L411-Y434 CarbonylContact C-O 3.49Å; L411-Y434 WeakPolarHBondContact CA-O 3.45Å; L411-Y434 WeakPolarHBondContact CB-O 3.3Å; L411-Y434 PolarHBondContact N-O 3.22Å; L411-F435 HydrophobicContact CB-CD1 4.14Å; L411-F435 HydrophobicContact CB-CE1 4.33Å; L411-F435 HydrophobicContact CD1-CD1 4.24Å; L411-F435 HydrophobicContact CD1-CE1 3.58Å; L411-F435 HydrophobicContact CD1-CZ 4.38Å
412	T	95	Very high	93.5	Very high	40 Å²	40	49.9 Å²	49.9	25%	0.245	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	154.5	178	54.6	0	0	0	0	112.5	N388 E389 N414 Y434	N388-T412 CarbonylContact C-O 3.59Å; N388-T412 WeakPolarHBondContact CA-O 3.13Å; N388-T412 VanDerWaalsContact CB-O 3.31Å; N388-T412 WeakPolarHBondContact CB-O 3.49Å; N388-T412 WeakPolarHBondContact CB-OG1 3.34Å; E389-T412 PolarHBondContact N-O 3.34Å; T412-N414 VanDerWaalsContact C-N 3.32Å; T412-N414 PolarHBondContact O-N 2.94Å; T412-N414 PolarHBondContact O-ND2 2.82Å; T412-Y434 PolarHBondContact N-O 3.07Å
413	G	94.6	Very high	93.5	Very high	28 Å²	28	48.6 Å²	48.6	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	25.6	177	0	0	0	0	0	115	N390 S436	N390-G413 VanDerWaalsContact O-O 3.14Å; G413-S436 PolarHBondContact N-OG 3.21Å
414	N	98	Very high	93.4	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.102	25%	0.25	C	S	.	.			trans	-104.6	-177.1	174.5	-79.8	-70.9	0	0	0	112.9	L387 N390 R391 I392 L411 T412 F416	L387-N414 PolarHBondContact O-ND2 3.13Å; N390-N414 WeakPolarHBondContact CA-OD1 3.36Å; N390-N414 WeakPolarHBondContact CB-OD1 2.88Å; R391-N414 PolarHBondContact N-OD1 3.28Å; I392-N414 HydrophobicContact CB-CB 4.27Å; I392-N414 VanDerWaalsContact CB-OD1 3.29Å; I392-N414 WeakPolarHBondContact CB-OD1 3.25Å; I392-N414 VanDerWaalsContact CG1-OD1 3.3Å; I392-N414 WeakPolarHBondContact CG1-OD1 3.44Å; I392-N414 PolarHBondContact N-OD1 2.92Å; L411-N414 PolarHBondContact O-ND2 2.92Å; T412-N414 VanDerWaalsContact C-N 3.32Å; T412-N414 PolarHBondContact O-N 2.94Å; T412-N414 PolarHBondContact O-ND2 2.82Å; N414-F416 HydrophobicContact CB-CD1 3.66Å; N414-F416 HydrophobicContact CB-CE1 3.48Å; N414-F416 VanDerWaalsContact CB-CE1 3.48Å
415	R	95.2	Very high	93.3	Very high	141 Å²	141	50.7 Å²	50.7	53%	0.532	26%	0.257	S	S	.	.			trans	-111.1	-11	-171	-65.4	-177.5	177.2	-173.7	-3.7	115.3	I392 E393	I392-R415 CarbonylContact O-C 3.22Å; I392-R415 WeakPolarHBondContact O-CA 3.04Å; I392-R415 PolarHBondContact O-N 3.37Å; E393-R415 HydrophobicContact CG-CB 3.88Å; E393-R415 IonicContact OE1-NH1 3.61Å
416	F	95	Very high	93.1	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.048	25%	0.254	C	S	.	.			trans	-65.8	137.2	176	65.2	-91	0	0	0	110.3	I392 E393 F395 L411 N414 F435 L440	I392-F416 HydrophobicContact CB-CD1 4.43Å; I392-F416 HydrophobicContact CG2-CD1 4.33Å; I392-F416 PolarHBondContact O-N 3.09Å; E393-F416 WeakPolarHBondContact O-CB 3.43Å; F395-F416 AromaticContact CE2-CD1 3.82Å; F395-F416 HydrophobicContact CE2-CD1 3.82Å; F395-F416 HydrophobicContact CE2-CD2 4.32Å; F395-F416 HydrophobicContact CE2-CE1 4.06Å; F395-F416 AromaticContact CE2-CG 3.98Å; F395-F416 HydrophobicContact CE2-CG 3.98Å; F395-F416 HydrophobicContact CE2-CZ 4.41Å; F395-F416 AromaticContact CZ-CD1 3.98Å; F395-F416 HydrophobicContact CZ-CD1 3.98Å; F395-F416 AromaticContact CZ-CE1 3.87Å; F395-F416 HydrophobicContact CZ-CE1 3.87Å; F395-F416 HydrophobicContact CZ-CZ 4.37Å; L411-F416 HydrophobicContact CB-CE1 4.19Å; L411-F416 HydrophobicContact CB-CZ 3.89Å; L411-F416 HydrophobicContact CD1-CZ 4.3Å; N414-F416 HydrophobicContact CB-CD1 3.66Å; N414-F416 HydrophobicContact CB-CE1 3.48Å; N414-F416 VanDerWaalsContact CB-CE1 3.48Å; F416-F435 HydrophobicContact CE2-CD1 4.01Å; F416-F435 HydrophobicContact CE2-CE1 4.02Å; F416-F435 AromaticContact CZ-CD1 3.9Å; F416-F435 HydrophobicContact CZ-CD1 3.9Å; F416-F435 HydrophobicContact CZ-CE1 4.03Å; F416-L440 HydrophobicContact CD2-CD1 4.23Å; F416-L440 HydrophobicContact CD2-CD2 4.02Å; F416-L440 HydrophobicContact CE2-CD1 3.66Å; F416-L440 HydrophobicContact CE2-CD2 3.94Å; F416-L440 HydrophobicContact CE2-CG 4.38Å; F416-L440 HydrophobicContact CZ-CD1 4.41Å
417	Q	85.5	Confident	92.9	Very high	143 Å²	143	50.9 Å²	50.9	67%	0.668	26%	0.258	S	S	*	.	S	Bend	trans	-102.2	-21.1	179.7	-67	179.1	4.4	0	0	112.3	H439 L440	Q417-H439 PolarHBondContact O-NE2 2.85Å; Q417-L440 WeakPolarHBondContact O-CD2 3.05Å
418	T	87.8	Confident	92.6	Very high	103 Å²	103	55.4 Å²	55.4	63%	0.632	28%	0.284	S	S	*	.			trans	-135.8	149.1	-179.3	57.4	0	0	0	0	108.8
419	L	92.3	Very high	92.4	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.11	30%	0.3	C	S	.	.			trans	-131.7	129.4	173.7	-179	64.7	0	0	0	109	F395 S421 V423 L424 F435 L440 A443	F395-L419 HydrophobicContact CD2-CD1 3.5Å; F395-L419 VanDerWaalsContact CD2-CD1 3.5Å; F395-L419 HydrophobicContact CE2-CD1 3.72Å; F395-L419 HydrophobicContact CG-CD1 4.27Å; L419-S421 PolarHBondContact O-N 3.45Å; L419-V423 HydrophobicContact CD1-CB 4.2Å; L419-V423 HydrophobicContact CD1-CG1 4.18Å; L419-V423 HydrophobicContact CD1-CG2 4.42Å; L419-L424 HydrophobicContact CD2-CD1 3.78Å; L419-L424 HydrophobicContact CD2-CD2 4.27Å; L419-L424 HydrophobicContact CD2-CG 4.05Å; L419-F435 HydrophobicContact CD2-CE1 3.8Å; L419-F435 HydrophobicContact CD2-CZ 3.65Å; L419-L440 HydrophobicContact CB-CD2 4.39Å; L419-A443 HydrophobicContact CB-CB 3.87Å; L419-A443 HydrophobicContact CD2-CB 4.11Å; L419-A443 HydrophobicContact CG-CB 4.04Å; L419-A443 WeakPolarHBondContact O-CB 3.16Å
420	D	91.5	Very high	92.2	Very high	60 Å²	60	58.2 Å²	58.2	32%	0.321	30%	0.303	S	S	.	.			trans	-75.7	125	174.9	-167.3	-53	0	0	0	109.7	R422 V423	D420-R422 PolarHBondContact O-N 2.96Å; D420-R422 VanDerWaalsContact OD1-CB 3.22Å; D420-R422 WeakPolarHBondContact OD1-CB 3.32Å; D420-R422 VanDerWaalsContact OD1-CG 3.28Å; D420-R422 WeakPolarHBondContact OD1-CG 3.48Å; D420-R422 IonicContact OD1-CZ 2.85Å; D420-R422 PolarHBondContact OD1-N 2.9Å; D420-R422 IonicContact OD1-NE 3.81Å; D420-R422 PolarHBondContact OD1-NE 2.83Å; D420-R422 IonicContact OD1-NH2 2.69Å; D420-R422 IonicContact OD2-CZ 2.72Å; D420-R422 VanDerWaalsContact OD2-CZ 3.3Å; D420-R422 IonicContact OD2-NE 3.47Å; D420-R422 PolarHBondContact OD2-NE 3.31Å; D420-R422 VanDerWaalsContact OD2-NE 3.16Å; D420-R422 IonicContact OD2-NH2 3.51Å; D420-R422 PolarHBondContact OD2-NH2 3.08Å; D420-V423 HydrophobicContact CB-CG2 4.23Å; D420-V423 WeakPolarHBondContact O-CB 3.47Å; D420-V423 PolarHBondContact O-N 3.1Å
421	S	89.1	Confident	91.8	Very high	71 Å²	71	60.8 Å²	60.8	50%	0.497	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-53.2	-26	178.4	61.7	0	0	0	0	114	L419 V423 L424 K425	L419-S421 PolarHBondContact O-N 3.45Å; S421-V423 VanDerWaalsContact C-N 3.27Å; S421-V423 PolarHBondContact O-N 2.96Å; S421-L424 PolarHBondContact O-N 3.15Å; S421-K425 PolarHBondContact O-N 2.94Å
422	R	91.7	Very high	91.5	Very high	142 Å²	142	61.5 Å²	61.5	54%	0.536	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-65.1	-30.3	178.1	-65.7	174.7	-71.5	175.5	-1.6	112.8	L397 D420 L424 K425	L397-R422 HydrophobicContact CD2-CB 4.23Å; D420-R422 PolarHBondContact O-N 2.96Å; D420-R422 VanDerWaalsContact OD1-CB 3.22Å; D420-R422 WeakPolarHBondContact OD1-CB 3.32Å; D420-R422 VanDerWaalsContact OD1-CG 3.28Å; D420-R422 WeakPolarHBondContact OD1-CG 3.48Å; D420-R422 IonicContact OD1-CZ 2.85Å; D420-R422 PolarHBondContact OD1-N 2.9Å; D420-R422 IonicContact OD1-NE 3.81Å; D420-R422 PolarHBondContact OD1-NE 2.83Å; D420-R422 IonicContact OD1-NH2 2.69Å; D420-R422 IonicContact OD2-CZ 2.72Å; D420-R422 VanDerWaalsContact OD2-CZ 3.3Å; D420-R422 IonicContact OD2-NE 3.47Å; D420-R422 PolarHBondContact OD2-NE 3.31Å; D420-R422 VanDerWaalsContact OD2-NE 3.16Å; D420-R422 IonicContact OD2-NH2 3.51Å; D420-R422 PolarHBondContact OD2-NH2 3.08Å; R422-L424 PolarHBondContact O-N 3.38Å; R422-K425 VanDerWaalsContact O-CB 3.24Å; R422-K425 WeakPolarHBondContact O-CB 3.28Å; R422-K425 PolarHBondContact O-N 3.47Å; R422-K425 VanDerWaalsContact O-N 3.15Å
423	V	95	Very high	91.4	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61	-32.5	177.2	174.8	0	0	0	0	111.2	F395 L397 F400 L419 D420 S421	F395-V423 HydrophobicContact CB-CG1 3.85Å; F395-V423 HydrophobicContact CB-CG2 4.25Å; F395-V423 HydrophobicContact CG-CG1 4.2Å; L397-V423 HydrophobicContact CD2-CG2 4.45Å; F400-V423 HydrophobicContact CD2-CG1 3.63Å; F400-V423 HydrophobicContact CE2-CG1 3.75Å; L419-V423 HydrophobicContact CD1-CB 4.2Å; L419-V423 HydrophobicContact CD1-CG1 4.18Å; L419-V423 HydrophobicContact CD1-CG2 4.42Å; D420-V423 HydrophobicContact CB-CG2 4.23Å; D420-V423 WeakPolarHBondContact O-CB 3.47Å; D420-V423 PolarHBondContact O-N 3.1Å; S421-V423 VanDerWaalsContact C-N 3.27Å; S421-V423 PolarHBondContact O-N 2.96Å
424	L	93.6	Very high	91.3	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-95.1	-5	-179.8	-55.9	-178.9	0	0	0	113.3	F400 L409 L419 S421 R422 N426 L427 I433 A444	F400-L424 HydrophobicContact CD2-CD2 4.34Å; F400-L424 HydrophobicContact CE2-CD2 4.49Å; L409-L424 HydrophobicContact CD2-CD2 4.25Å; L419-L424 HydrophobicContact CD2-CD1 3.78Å; L419-L424 HydrophobicContact CD2-CD2 4.27Å; L419-L424 HydrophobicContact CD2-CG 4.05Å; S421-L424 PolarHBondContact O-N 3.15Å; R422-L424 PolarHBondContact O-N 3.38Å; L424-N426 VanDerWaalsContact C-N 3.28Å; L424-N426 PolarHBondContact O-N 3.32Å; L424-L427 HydrophobicContact CB-CD1 4.46Å; L424-L427 HydrophobicContact CD2-CD1 3.75Å; L424-L427 WeakPolarHBondContact O-CB 2.99Å; L424-L427 PolarHBondContact O-N 3.04Å; L424-I433 HydrophobicContact CD1-CD1 3.76Å; L424-I433 HydrophobicContact CD2-CD1 4.25Å; L424-A444 HydrophobicContact CD1-CB 3.81Å
425	K	88.6	Confident	91.2	Very high	161 Å²	161	59.2 Å²	59.2	70%	0.7	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.7	-170.2	-177.1	-176.7	176.6	-172.8	0	113.9	S421 R422 L427	S421-K425 PolarHBondContact O-N 2.94Å; R422-K425 VanDerWaalsContact O-CB 3.24Å; R422-K425 WeakPolarHBondContact O-CB 3.28Å; R422-K425 PolarHBondContact O-N 3.47Å; R422-K425 VanDerWaalsContact O-N 3.15Å; K425-L427 VanDerWaalsContact C-N 3.32Å
426	N	89.3	Confident	90.9	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.332	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.9	-176.4	-71.2	-33.4	0	0	0	113.4	E398 L424 T428	E398-N426 PolarHBondContact OE2-ND2 3.39Å; E398-N426 VanDerWaalsContact OE2-ND2 3.1Å; L424-N426 VanDerWaalsContact C-N 3.28Å; L424-N426 PolarHBondContact O-N 3.32Å; N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 3.41Å
427	L	92.5	Very high	90.6	Very high	13 Å²	13	58.9 Å²	58.9	7%	0.068	30%	0.302	C	S	.	.			trans	-83.7	68.7	179.7	-63.1	178.3	0	0	0	110.7	F400 L403 L406 L409 L424 K425 S429 L430	F400-L427 HydrophobicContact CB-CD1 4.13Å; F400-L427 HydrophobicContact CB-CD2 3.94Å; F400-L427 HydrophobicContact CB-CG 4.16Å; F400-L427 HydrophobicContact CD2-CD1 4.42Å; F400-L427 HydrophobicContact CG-CD1 4.42Å; L403-L427 HydrophobicContact CB-CD2 3.72Å; L403-L427 WeakPolarHBondContact O-CD2 3.26Å; L406-L427 HydrophobicContact CB-CD2 4.15Å; L406-L427 HydrophobicContact CD2-CD1 4.27Å; L406-L427 HydrophobicContact CD2-CD2 3.89Å; L409-L427 HydrophobicContact CD2-CD1 4.22Å; L424-L427 HydrophobicContact CB-CD1 4.46Å; L424-L427 HydrophobicContact CD2-CD1 3.75Å; L424-L427 WeakPolarHBondContact O-CB 2.99Å; L424-L427 PolarHBondContact O-N 3.04Å; K425-L427 VanDerWaalsContact C-N 3.32Å; L427-S429 PolarHBondContact O-N 2.92Å; L427-L430 HydrophobicContact CB-CB 3.94Å; L427-L430 HydrophobicContact CB-CD2 4.23Å; L427-L430 HydrophobicContact CD1-CD2 3.88Å; L427-L430 WeakPolarHBondContact O-CB 3.33Å; L427-L430 PolarHBondContact O-N 3Å
428	T	86.2	Confident	90.6	Very high	118 Å²	118	52.4 Å²	52.4	72%	0.724	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18	-172.7	56.6	0	0	0	0	114.6	N426	N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 3.41Å
429	S	89.6	Confident	90.5	Very high	48 Å²	48	49.8 Å²	49.8	34%	0.336	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	12	-178.9	-47.5	0	0	0	0	112.7	K404 L406 S407 L427 D431	K404-S429 WeakPolarHBondContact O-CB 3.47Å; K404-S429 PolarHBondContact O-OG 3.49Å; L406-S429 CarbonylContact O-C 3.22Å; L406-S429 VanDerWaalsContact O-O 3.1Å; S407-S429 WeakPolarHBondContact CA-O 3.33Å; L427-S429 PolarHBondContact O-N 2.92Å; S429-D431 PolarHBondContact O-N 3.46Å
430	L	92.2	Very high	90.5	Very high	10 Å²	10	49 Å²	49	5%	0.052	25%	0.248	C	C	.	.			trans	-78	110.8	-174.1	-173.8	68.5	0	0	0	111	L406 L409 L427 Y432 I433 V447	L406-L430 HydrophobicContact CD2-CD1 4.32Å; L406-L430 HydrophobicContact CG-CD1 4.33Å; L406-L430 WeakPolarHBondContact O-CA 3.32Å; L406-L430 PolarHBondContact O-N 3.31Å; L409-L430 HydrophobicContact CB-CD1 3.87Å; L427-L430 HydrophobicContact CB-CB 3.94Å; L427-L430 HydrophobicContact CB-CD2 4.23Å; L427-L430 HydrophobicContact CD1-CD2 3.88Å; L427-L430 WeakPolarHBondContact O-CB 3.33Å; L427-L430 PolarHBondContact O-N 3Å; L430-Y432 WeakPolarHBondContact CD1-O 3.26Å; L430-I433 HydrophobicContact CD2-CB 4.38Å; L430-I433 HydrophobicContact CD2-CD1 4.21Å; L430-V447 HydrophobicContact CB-CG2 4.49Å; L430-V447 HydrophobicContact CD2-CG1 4.28Å; L430-V447 HydrophobicContact CD2-CG2 3.66Å; L430-V447 HydrophobicContact CG-CG1 4.04Å; L430-V447 HydrophobicContact CG-CG2 4.12Å
431	D	87.9	Confident	90.4	Very high	63 Å²	63	46.2 Å²	46.2	34%	0.337	23%	0.233	S	C	.	.			trans	-93.7	-40.9	177	-66.2	-48.5	0	0	0	111.5	S407 S429 V447 R448 V449	S407-D431 PolarHBondContact O-N 3.49Å; S429-D431 PolarHBondContact O-N 3.46Å; D431-V447 WeakPolarHBondContact O-CG1 3.07Å; D431-R448 HydrophobicContact CB-CB 4.26Å; D431-R448 CarbonylContact O-C 3.36Å; D431-R448 WeakPolarHBondContact O-CA 3.1Å; D431-R448 VanDerWaalsContact O-CB 3.29Å; D431-R448 WeakPolarHBondContact O-CB 3.47Å; D431-R448 PolarHBondContact O-N 2.81Å; D431-V449 PolarHBondContact O-N 2.93Å
432	Y	90.1	Very high	90.3	Very high	15 Å²	15	45 Å²	45	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127	-171.8	-61.7	-88.4	0	0	0	111.9	N123 C124 N126 S407 S408 L409 L430 V449	N123-Y432 PolarHBondContact O-OH 3.36Å; C124-Y432 WeakPolarHBondContact CA-OH 3.24Å; C124-Y432 PolarHBondContact O-OH 2.84Å; N126-Y432 HydrophobicContact CB-CD1 3.95Å; N126-Y432 HydrophobicContact CB-CD2 4.26Å; N126-Y432 HydrophobicContact CB-CE1 3.92Å; N126-Y432 HydrophobicContact CB-CE2 4.26Å; N126-Y432 HydrophobicContact CB-CG 4.12Å; S407-Y432 PolarHBondContact O-N 2.92Å; S408-Y432 CarbonylContact C-O 3.26Å; S408-Y432 WeakPolarHBondContact CA-O 3.36Å; L409-Y432 PolarHBondContact N-O 3.36Å; L430-Y432 WeakPolarHBondContact CD1-O 3.26Å; Y432-V449 WeakPolarHBondContact CA-O 3.45Å; Y432-V449 HydrophobicContact CD1-CB 3.62Å; Y432-V449 HydrophobicContact CD1-CG1 3.91Å; Y432-V449 HydrophobicContact CD1-CG2 4.01Å; Y432-V449 HydrophobicContact CE1-CB 3.9Å; Y432-V449 HydrophobicContact CE1-CG1 4.2Å; Y432-V449 HydrophobicContact CE1-CG2 3.74Å; Y432-V449 HydrophobicContact CG-CB 4.47Å
433	I	93.7	Very high	90.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.8	170.8	-165.4	166.8	0	0	0	111.4	L409 L411 L424 L430 F435 A444 V447 V449 C450 D451	L409-I433 HydrophobicContact CB-CG1 4.39Å; L409-I433 HydrophobicContact CD2-CD1 4.22Å; L409-I433 WeakPolarHBondContact O-CA 3.24Å; L411-I433 HydrophobicContact CD1-CD1 4.32Å; L424-I433 HydrophobicContact CD1-CD1 3.76Å; L424-I433 HydrophobicContact CD2-CD1 4.25Å; L430-I433 HydrophobicContact CD2-CB 4.38Å; L430-I433 HydrophobicContact CD2-CD1 4.21Å; I433-F435 HydrophobicContact CD1-CE1 4.03Å; I433-F435 HydrophobicContact CD1-CE2 3.73Å; I433-F435 HydrophobicContact CD1-CZ 3.31Å; I433-F435 HydrophobicContact CG1-CE1 4.32Å; I433-F435 HydrophobicContact CG1-CE2 3.93Å; I433-F435 HydrophobicContact CG1-CZ 3.84Å; I433-F435 HydrophobicContact CG2-CE2 4.09Å; I433-A444 HydrophobicContact CD1-CB 4.28Å; I433-A444 HydrophobicContact CG2-CB 3.95Å; I433-V447 HydrophobicContact CB-CG1 4.09Å; I433-V447 HydrophobicContact CG2-CB 4.11Å; I433-V447 HydrophobicContact CG2-CG1 3.68Å; I433-V447 HydrophobicContact CG2-CG2 4.37Å; I433-V449 PolarHBondContact N-O 2.97Å; I433-C450 HydrophobicContact CG2-CB 3.83Å; I433-C450 WeakPolarHBondContact O-CA 3.28Å; I433-D451 PolarHBondContact O-N 2.91Å
434	Y	93.2	Very high	89.9	Confident	34 Å²	34	38.5 Å²	38.5	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.4	-176.7	-56.5	-96.7	0	0	0	110.5	N126 L409 L410 L411 T412 D451	N126-Y434 WeakPolarHBondContact CB-OH 3.31Å; N126-Y434 VanDerWaalsContact ND2-CE2 3.31Å; N126-Y434 WeakPolarHBondContact ND2-CE2 3.17Å; N126-Y434 PolarHBondContact ND2-OH 2.94Å; L409-Y434 PolarHBondContact O-N 2.98Å; L410-Y434 HydrophobicContact CB-CD2 4.49Å; L410-Y434 HydrophobicContact CD1-CD2 3.56Å; L410-Y434 HydrophobicContact CD1-CE2 3.81Å; L410-Y434 HydrophobicContact CD1-CG 4.49Å; L410-Y434 HydrophobicContact CD2-CD2 4.48Å; L410-Y434 HydrophobicContact CG-CD2 3.51Å; L410-Y434 HydrophobicContact CG-CE2 4.16Å; L410-Y434 HydrophobicContact CG-CG 3.98Å; L411-Y434 CarbonylContact C-O 3.49Å; L411-Y434 WeakPolarHBondContact CA-O 3.45Å; L411-Y434 WeakPolarHBondContact CB-O 3.3Å; L411-Y434 PolarHBondContact N-O 3.22Å; T412-Y434 PolarHBondContact N-O 3.07Å; Y434-D451 HydrophobicContact CD1-CB 3.56Å; Y434-D451 WeakPolarHBondContact CD1-OD2 3.06Å; Y434-D451 HydrophobicContact CE1-CB 4.06Å; Y434-D451 WeakPolarHBondContact CE1-OD2 3.37Å; Y434-D451 HydrophobicContact CG-CB 4.38Å
435	F	94.5	Very high	89.3	Confident	5 Å²	5	41 Å²	41	2%	0.022	21%	0.214	C	C	.	.			trans	-111.6	159.4	176.1	-67.9	-59.8	0	0	0	111.8	L411 F416 L419 I433 W437 L440 A444 D451 P452	L411-F435 HydrophobicContact CB-CD1 4.14Å; L411-F435 HydrophobicContact CB-CE1 4.33Å; L411-F435 HydrophobicContact CD1-CD1 4.24Å; L411-F435 HydrophobicContact CD1-CE1 3.58Å; L411-F435 HydrophobicContact CD1-CZ 4.38Å; F416-F435 HydrophobicContact CE2-CD1 4.01Å; F416-F435 HydrophobicContact CE2-CE1 4.02Å; F416-F435 AromaticContact CZ-CD1 3.9Å; F416-F435 HydrophobicContact CZ-CD1 3.9Å; F416-F435 HydrophobicContact CZ-CE1 4.03Å; L419-F435 HydrophobicContact CD2-CE1 3.8Å; L419-F435 HydrophobicContact CD2-CZ 3.65Å; I433-F435 HydrophobicContact CD1-CE1 4.03Å; I433-F435 HydrophobicContact CD1-CE2 3.73Å; I433-F435 HydrophobicContact CD1-CZ 3.31Å; I433-F435 HydrophobicContact CG1-CE1 4.32Å; I433-F435 HydrophobicContact CG1-CE2 3.93Å; I433-F435 HydrophobicContact CG1-CZ 3.84Å; I433-F435 HydrophobicContact CG2-CE2 4.09Å; F435-W437 VanDerWaalsContact C-N 3.28Å; F435-L440 HydrophobicContact CB-CB 4.01Å; F435-L440 HydrophobicContact CB-CD1 3.98Å; F435-L440 HydrophobicContact CD1-CB 3.92Å; F435-L440 HydrophobicContact CD1-CD1 3.96Å; F435-L440 HydrophobicContact CD2-CB 3.72Å; F435-L440 HydrophobicContact CE1-CB 4.28Å; F435-L440 HydrophobicContact CE2-CB 4.1Å; F435-L440 HydrophobicContact CG-CB 3.62Å; F435-L440 HydrophobicContact CG-CD1 4.1Å; F435-L440 HydrophobicContact CZ-CB 4.36Å; F435-A444 HydrophobicContact CE2-CB 4.06Å; F435-D451 PolarHBondContact N-O 3.25Å; F435-P452 VanDerWaalsContact O-CD 3.26Å; F435-P452 WeakPolarHBondContact O-CD 3.36Å
436	S	90.1	Very high	88.8	Confident	44 Å²	44	39.2 Å²	39.2	31%	0.308	21%	0.213	S	C	.	.	S	Bend	trans	-71	-25.8	170.3	-53.2	0	0	0	0	112.9	G413	G413-S436 PolarHBondContact N-OG 3.21Å
437	W	88.1	Confident	88.5	Confident	100 Å²	100	36.7 Å²	36.7	38%	0.379	20%	0.199	S	C	.	.	S	Bend	trans	-136.9	137.8	-169.6	-55	111.3	0	0	0	111.5	F435 H439 L440 D633	F435-W437 VanDerWaalsContact C-N 3.28Å; W437-H439 WeakPolarHBondContact CB-CE1 3.33Å; W437-H439 WeakPolarHBondContact CB-ND1 3.27Å; W437-H439 AromaticContact CG-CE1 3.89Å; W437-H439 PolarHBondContact O-N 2.84Å; W437-L440 HydrophobicContact CB-CD1 4.19Å; W437-L440 WeakPolarHBondContact O-CB 3.5Å; W437-L440 PolarHBondContact O-N 3.15Å; W437-D633 HydrophobicContact CH2-CB 4.22Å; W437-D633 HydrophobicContact CZ3-CB 4.23Å
438	F	85.9	Confident	87.8	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.035	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.3	-38.2	-176.4	171.5	-119.5	0	0	0	114.1	L440 C441 P452 H453 G454 D455 K460 Y534 I535	F438-L440 PolarHBondContact O-N 3.42Å; F438-L440 VanDerWaalsContact O-N 3.12Å; F438-C441 VanDerWaalsContact O-CB 3.27Å; F438-C441 WeakPolarHBondContact O-CB 3.49Å; F438-C441 PolarHBondContact O-N 3.44Å; F438-P452 HydrophobicContact CB-CG 4.07Å; F438-P452 WeakPolarHBondContact CD2-O 3.28Å; F438-H453 VanDerWaalsContact CE2-O 3.28Å; F438-H453 WeakPolarHBondContact CE2-O 3.35Å; F438-G454 VanDerWaalsContact CD2-CA 3.5Å; F438-D455 HydrophobicContact CD1-CB 4.34Å; F438-K460 HydrophobicContact CE2-CG 3.76Å; F438-K460 HydrophobicContact CZ-CG 4.11Å; F438-Y534 HydrophobicContact CE1-CE1 4.47Å; F438-I535 HydrophobicContact CE1-CD1 4.05Å; F438-I535 HydrophobicContact CE2-CD1 4.27Å; F438-I535 HydrophobicContact CZ-CD1 3.83Å
439	H	86.3	Confident	87.6	Confident	48 Å²	48	32.2 Å²	32.2	22%	0.222	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.9	-23.8	-176.7	69.3	-83.3	0	0	0	113.3	Q417 W437 C441 S442 E538	Q417-H439 PolarHBondContact O-NE2 2.85Å; W437-H439 WeakPolarHBondContact CB-CE1 3.33Å; W437-H439 WeakPolarHBondContact CB-ND1 3.27Å; W437-H439 AromaticContact CG-CE1 3.89Å; W437-H439 PolarHBondContact O-N 2.84Å; H439-C441 PolarHBondContact O-N 3Å; H439-S442 WeakPolarHBondContact O-CB 2.9Å; H439-S442 PolarHBondContact O-N 2.77Å; H439-S442 PolarHBondContact O-OG 3.37Å; H439-E538 VanDerWaalsContact CB-OE2 3.31Å; H439-E538 WeakPolarHBondContact CB-OE2 3.43Å
440	L	90.9	Very high	87.5	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.1	-20.8	175.7	-67	166.7	0	0	0	112.5	F416 Q417 L419 F435 W437 F438 S442 A443	F416-L440 HydrophobicContact CD2-CD1 4.23Å; F416-L440 HydrophobicContact CD2-CD2 4.02Å; F416-L440 HydrophobicContact CE2-CD1 3.66Å; F416-L440 HydrophobicContact CE2-CD2 3.94Å; F416-L440 HydrophobicContact CE2-CG 4.38Å; F416-L440 HydrophobicContact CZ-CD1 4.41Å; Q417-L440 WeakPolarHBondContact O-CD2 3.05Å; L419-L440 HydrophobicContact CB-CD2 4.39Å; F435-L440 HydrophobicContact CB-CB 4.01Å; F435-L440 HydrophobicContact CB-CD1 3.98Å; F435-L440 HydrophobicContact CD1-CB 3.92Å; F435-L440 HydrophobicContact CD1-CD1 3.96Å; F435-L440 HydrophobicContact CD2-CB 3.72Å; F435-L440 HydrophobicContact CE1-CB 4.28Å; F435-L440 HydrophobicContact CE2-CB 4.1Å; F435-L440 HydrophobicContact CG-CB 3.62Å; F435-L440 HydrophobicContact CG-CD1 4.1Å; F435-L440 HydrophobicContact CZ-CB 4.36Å; W437-L440 HydrophobicContact CB-CD1 4.19Å; W437-L440 WeakPolarHBondContact O-CB 3.5Å; W437-L440 PolarHBondContact O-N 3.15Å; F438-L440 PolarHBondContact O-N 3.42Å; F438-L440 VanDerWaalsContact O-N 3.12Å; L440-S442 PolarHBondContact O-N 3.28Å; L440-S442 VanDerWaalsContact O-N 3.15Å; L440-A443 WeakPolarHBondContact O-CB 3.32Å; L440-A443 PolarHBondContact O-N 3.28Å
441	C	89.6	Confident	87.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.1	-16.7	173.7	-69.2	0	0	0	0	113	F438 H439 A443 A444 M445 C450	F438-C441 VanDerWaalsContact O-CB 3.27Å; F438-C441 WeakPolarHBondContact O-CB 3.49Å; F438-C441 PolarHBondContact O-N 3.44Å; H439-C441 PolarHBondContact O-N 3Å; C441-A443 PolarHBondContact O-N 2.94Å; C441-A444 CarbonylContact O-C 3.58Å; C441-A444 PolarHBondContact O-N 2.94Å; C441-M445 PolarHBondContact O-N 3.39Å; C441-C450 WeakPolarHBondContact CA-SG 3.3Å; C441-C450 HydrophobicContact CB-CB 3.99Å; C441-C450 WeakPolarHBondContact CB-SG 3.48Å; C441-C450 WeakPolarHBondContact SG-CB 3.09Å; C441-C450 CovalentContact SG-SG 2.05Å; C441-C450 PolarHBondContact SG-SG 3.06Å
442	S	87.8	Confident	87	Confident	46 Å²	46	30.2 Å²	30.2	32%	0.322	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-59.9	-30.4	170.6	63.3	0	0	0	0	112.8	H439 L440 A444 M445	H439-S442 WeakPolarHBondContact O-CB 2.9Å; H439-S442 PolarHBondContact O-N 2.77Å; H439-S442 PolarHBondContact O-OG 3.37Å; L440-S442 PolarHBondContact O-N 3.28Å; L440-S442 VanDerWaalsContact O-N 3.15Å; S442-A444 VanDerWaalsContact C-N 3.27Å; S442-A444 PolarHBondContact O-N 2.96Å; S442-M445 WeakPolarHBondContact O-CG 3.28Å
443	A	89.3	Confident	86.3	Confident	11 Å²	11	35.2 Å²	35.2	9%	0.091	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-75.9	-17	175.5	0	0	0	0	0	113	L419 L440 C441	L419-A443 HydrophobicContact CB-CB 3.87Å; L419-A443 HydrophobicContact CD2-CB 4.11Å; L419-A443 HydrophobicContact CG-CB 4.04Å; L419-A443 WeakPolarHBondContact O-CB 3.16Å; L440-A443 WeakPolarHBondContact O-CB 3.32Å; L440-A443 PolarHBondContact O-N 3.28Å; C441-A443 PolarHBondContact O-N 2.94Å
444	A	89.2	Confident	85.6	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.025	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-122.5	36.4	-171.2	0	0	0	0	0	112.4	L424 I433 F435 C441 S442 N446 V447	L424-A444 HydrophobicContact CD1-CB 3.81Å; I433-A444 HydrophobicContact CD1-CB 4.28Å; I433-A444 HydrophobicContact CG2-CB 3.95Å; F435-A444 HydrophobicContact CE2-CB 4.06Å; C441-A444 CarbonylContact O-C 3.58Å; C441-A444 PolarHBondContact O-N 2.94Å; S442-A444 VanDerWaalsContact C-N 3.27Å; S442-A444 PolarHBondContact O-N 2.96Å; A444-N446 PolarHBondContact O-N 3.15Å; A444-N446 VanDerWaalsContact O-N 3.14Å; A444-V447 HydrophobicContact CB-CB 4.26Å; A444-V447 HydrophobicContact CB-CG2 3.84Å; A444-V447 WeakPolarHBondContact O-CB 3.16Å; A444-V447 PolarHBondContact O-N 3.44Å; A444-V447 VanDerWaalsContact O-N 3.07Å
445	M	80.9	Confident	84.9	Confident	65 Å²	65	34.8 Å²	34.8	32%	0.32	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-177.2	-71.7	-171.4	-68.3	0	0	114.2	G92 C441 S442 I535 K536	G92-M445 WeakPolarHBondContact CA-O 3.03Å; G92-M445 PolarHBondContact N-O 2.74Å; C441-M445 PolarHBondContact O-N 3.39Å; S442-M445 WeakPolarHBondContact O-CG 3.28Å; M445-I535 HydrophobicContact SD-CG2 4.4Å; M445-K536 HydrophobicContact SD-CG 4Å
446	N	76.8	Confident	84	Confident	125 Å²	125	35.4 Å²	35.4	67%	0.668	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.6	-179.6	-57.5	-7.7	0	0	0	113.1	G91 A444	G91-N446 WeakPolarHBondContact CA-OD1 3.26Å; A444-N446 PolarHBondContact O-N 3.15Å; A444-N446 VanDerWaalsContact O-N 3.14Å
447	V	83.6	Confident	83.7	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.055	18%	0.181	C	C	.	.	S	Bend	trans	-84.7	137.7	-176.1	179.4	0	0	0	0	109.8	Q105 L430 D431 I433 A444 V449	Q105-V447 WeakPolarHBondContact CG-O 3.16Å; L430-V447 HydrophobicContact CB-CG2 4.49Å; L430-V447 HydrophobicContact CD2-CG1 4.28Å; L430-V447 HydrophobicContact CD2-CG2 3.66Å; L430-V447 HydrophobicContact CG-CG1 4.04Å; L430-V447 HydrophobicContact CG-CG2 4.12Å; D431-V447 WeakPolarHBondContact O-CG1 3.07Å; I433-V447 HydrophobicContact CB-CG1 4.09Å; I433-V447 HydrophobicContact CG2-CB 4.11Å; I433-V447 HydrophobicContact CG2-CG1 3.68Å; I433-V447 HydrophobicContact CG2-CG2 4.37Å; A444-V447 HydrophobicContact CB-CB 4.26Å; A444-V447 HydrophobicContact CB-CG2 3.84Å; A444-V447 WeakPolarHBondContact O-CB 3.16Å; A444-V447 PolarHBondContact O-N 3.44Å; A444-V447 VanDerWaalsContact O-N 3.07Å; V447-V449 PolarHBondContact O-N 3.23Å
448	R	78.6	Confident	83.7	Confident	23 Å²	23	29 Å²	29	9%	0.087	16%	0.163	C	C	.	.	S	Bend	trans	-58.3	-52.1	-171.7	-167.9	-174.2	170.9	-178.7	1.8	112.7	F94 Q105 N108 D120 V122 D431	F94-R448 HydrophobicContact CD2-CG 4.29Å; F94-R448 HydrophobicContact CE2-CG 4.45Å; Q105-R448 VanDerWaalsContact CD-CA 3.49Å; Q105-R448 VanDerWaalsContact CD-O 3.22Å; Q105-R448 VanDerWaalsContact CG-O 3.25Å; Q105-R448 WeakPolarHBondContact CG-O 3.24Å; Q105-R448 VanDerWaalsContact NE2-C 3.34Å; Q105-R448 PolarHBondContact NE2-O 3.28Å; N108-R448 WeakPolarHBondContact ND2-CG 3.48Å; N108-R448 PolarHBondContact ND2-NE 3.17Å; N108-R448 PolarHBondContact OD1-NE 3.05Å; N108-R448 PolarHBondContact OD1-NH2 3.48Å; D120-R448 PolarHBondContact O-NH2 3.3Å; V122-R448 PolarHBondContact O-NH1 3.13Å; V122-R448 PolarHBondContact O-NH2 3.39Å; D431-R448 HydrophobicContact CB-CB 4.26Å; D431-R448 CarbonylContact O-C 3.36Å; D431-R448 WeakPolarHBondContact O-CA 3.1Å; D431-R448 VanDerWaalsContact O-CB 3.29Å; D431-R448 WeakPolarHBondContact O-CB 3.47Å; D431-R448 PolarHBondContact O-N 2.81Å
449	V	81.8	Confident	83.7	Confident	13 Å²	13	29.2 Å²	29.2	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.4	-179	-179.4	0	0	0	0	108.2	D431 Y432 I433 V447	D431-V449 PolarHBondContact O-N 2.93Å; Y432-V449 WeakPolarHBondContact CA-O 3.45Å; Y432-V449 HydrophobicContact CD1-CB 3.62Å; Y432-V449 HydrophobicContact CD1-CG1 3.91Å; Y432-V449 HydrophobicContact CD1-CG2 4.01Å; Y432-V449 HydrophobicContact CE1-CB 3.9Å; Y432-V449 HydrophobicContact CE1-CG1 4.2Å; Y432-V449 HydrophobicContact CE1-CG2 3.74Å; Y432-V449 HydrophobicContact CG-CB 4.47Å; I433-V449 PolarHBondContact N-O 2.97Å; V447-V449 PolarHBondContact O-N 3.23Å
450	C	86.3	Confident	83.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120	174.9	-172.5	0	0	0	0	109.2	I433 C441 P452	I433-C450 HydrophobicContact CG2-CB 3.83Å; I433-C450 WeakPolarHBondContact O-CA 3.28Å; C441-C450 WeakPolarHBondContact CA-SG 3.3Å; C441-C450 HydrophobicContact CB-CB 3.99Å; C441-C450 WeakPolarHBondContact CB-SG 3.48Å; C441-C450 WeakPolarHBondContact SG-CB 3.09Å; C441-C450 CovalentContact SG-SG 2.05Å; C441-C450 PolarHBondContact SG-SG 3.06Å; C450-P452 CarbonylContact O-C 3.55Å
451	D	85.8	Confident	83.1	Confident	39 Å²	39	29.7 Å²	29.7	21%	0.209	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.3	178.7	-85.5	-47.8	0	0	0	111.8	I433 Y434 F435 H453	I433-D451 PolarHBondContact O-N 2.91Å; Y434-D451 HydrophobicContact CD1-CB 3.56Å; Y434-D451 WeakPolarHBondContact CD1-OD2 3.06Å; Y434-D451 HydrophobicContact CE1-CB 4.06Å; Y434-D451 WeakPolarHBondContact CE1-OD2 3.37Å; Y434-D451 HydrophobicContact CG-CB 4.38Å; F435-D451 PolarHBondContact N-O 3.25Å; D451-H453 IonicContact OD1-CD2 2.87Å; D451-H453 PolarHBondContact OD1-CD2 3.25Å; D451-H453 VanDerWaalsContact OD1-CD2 3.26Å; D451-H453 IonicContact OD1-CE1 3.71Å; D451-H453 IonicContact OD1-CG 3.43Å; D451-H453 IonicContact OD1-NE2 2.65Å; D451-H453 PolarHBondContact OD1-NE2 3.44Å
452	P	84.4	Confident	83.1	Confident	41 Å²	41	30.5 Å²	30.5	27%	0.266	17%	0.173	S	C	.	.	S	Bend	cis	-72.4	150.9	-3.6	31.6	-36.7	0	0	0	112.3	F435 F438 C450 G454	F435-P452 VanDerWaalsContact O-CD 3.26Å; F435-P452 WeakPolarHBondContact O-CD 3.36Å; F438-P452 HydrophobicContact CB-CG 4.07Å; F438-P452 WeakPolarHBondContact CD2-O 3.28Å; C450-P452 CarbonylContact O-C 3.55Å; P452-G454 PolarHBondContact O-N 2.75Å
453	H	75.3	Confident	83.3	Confident	119 Å²	119	28.3 Å²	28.3	55%	0.551	16%	0.157	S	C	*	.	S	Bend	trans	-65.1	-18.1	178.6	-63.1	-76.1	0	0	0	115	F438 D451	F438-H453 VanDerWaalsContact CE2-O 3.28Å; F438-H453 WeakPolarHBondContact CE2-O 3.35Å; D451-H453 IonicContact OD1-CD2 2.87Å; D451-H453 PolarHBondContact OD1-CD2 3.25Å; D451-H453 VanDerWaalsContact OD1-CD2 3.26Å; D451-H453 IonicContact OD1-CE1 3.71Å; D451-H453 IonicContact OD1-CG 3.43Å; D451-H453 IonicContact OD1-NE2 2.65Å; D451-H453 PolarHBondContact OD1-NE2 3.44Å
454	G	79.6	Confident	83.4	Confident	20 Å²	20	27.9 Å²	27.9	21%	0.206	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-171.3	174.6	-177.2	0	0	0	0	0	112.9	F438 P452 G456 S458	F438-G454 VanDerWaalsContact CD2-CA 3.5Å; P452-G454 PolarHBondContact O-N 2.75Å; G454-G456 VanDerWaalsContact C-N 3.28Å; G454-S458 WeakPolarHBondContact CA-O 3.35Å
455	D	78	Confident	83.2	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-92.4	12.8	175	77.5	-14.4	0	0	0	112.8	F438 I457 S458 G624 H632	F438-D455 HydrophobicContact CD1-CB 4.34Å; D455-I457 VanDerWaalsContact C-N 3.31Å; D455-I457 PolarHBondContact O-N 3.3Å; D455-I457 PolarHBondContact OD1-N 3.37Å; D455-I457 VanDerWaalsContact OD1-N 3.1Å; D455-S458 PolarHBondContact N-O 3.22Å; D455-S458 WeakPolarHBondContact OD1-CA 3.42Å; D455-S458 VanDerWaalsContact OD1-CB 3.26Å; D455-S458 WeakPolarHBondContact OD1-CB 3.25Å; D455-S458 PolarHBondContact OD1-N 3.41Å; D455-S458 PolarHBondContact OD1-OG 3.36Å; D455-S458 PolarHBondContact OD2-OG 2.88Å; D455-G624 PolarHBondContact OD2-N 2.97Å; D455-H632 PolarHBondContact O-CD2 3.03Å
456	G	76	Confident	83.5	Confident	18 Å²	18	31.3 Å²	31.3	19%	0.186	17%	0.173	C	C	.	.	S	Bend	trans	87.6	-14.3	-176.4	0	0	0	0	0	116	G454 A723	G454-G456 VanDerWaalsContact C-N 3.28Å; G456-A723 WeakPolarHBondContact O-CB 3.23Å
457	I	84.2	Confident	84.1	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.026	17%	0.17	C	C	.	.	S	Bend	trans	-116.7	-42.4	172.7	-57	-176.3	0	0	0	110.1	D455 L463 L464 D465 V625 Y722 A723 A726 V727	D455-I457 VanDerWaalsContact C-N 3.31Å; D455-I457 PolarHBondContact O-N 3.3Å; D455-I457 PolarHBondContact OD1-N 3.37Å; D455-I457 VanDerWaalsContact OD1-N 3.1Å; I457-L463 CarbonylContact C-O 3.6Å; I457-L464 HydrophobicContact CG2-CD2 3.45Å; I457-L464 VanDerWaalsContact CG2-CD2 3.45Å; I457-L464 WeakPolarHBondContact O-CA 3.22Å; I457-D465 WeakPolarHBondContact O-CB 3.47Å; I457-D465 PolarHBondContact O-N 3.1Å; I457-V625 HydrophobicContact CD1-CG1 4.27Å; I457-V625 HydrophobicContact CD1-CG2 3.68Å; I457-V625 HydrophobicContact CG2-CG1 3.8Å; I457-Y722 HydrophobicContact CD1-CD1 3.8Å; I457-Y722 HydrophobicContact CD1-CE1 3.31Å; I457-Y722 HydrophobicContact CG1-CD1 3.8Å; I457-Y722 HydrophobicContact CG1-CE1 3.73Å; I457-A723 HydrophobicContact CG1-CB 3.9Å; I457-A726 HydrophobicContact CD1-CB 4Å; I457-V727 HydrophobicContact CG2-CG2 4.44Å
458	S	88.1	Confident	84.5	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.021	19%	0.193	C	C	.	.			trans	-105.3	146.9	-173	-26.8	0	0	0	0	110	G454 D455 H462 L463 Y534	G454-S458 WeakPolarHBondContact CA-O 3.35Å; D455-S458 PolarHBondContact N-O 3.22Å; D455-S458 WeakPolarHBondContact OD1-CA 3.42Å; D455-S458 VanDerWaalsContact OD1-CB 3.26Å; D455-S458 WeakPolarHBondContact OD1-CB 3.25Å; D455-S458 PolarHBondContact OD1-N 3.41Å; D455-S458 PolarHBondContact OD1-OG 3.36Å; D455-S458 PolarHBondContact OD2-OG 2.88Å; S458-H462 CarbonylContact C-O 3.59Å; S458-H462 WeakPolarHBondContact CA-O 3.39Å; S458-L463 VanDerWaalsContact CA-O 3.22Å; S458-L463 WeakPolarHBondContact CA-O 3.31Å; S458-L463 VanDerWaalsContact CB-O 3.32Å; S458-L463 WeakPolarHBondContact CB-O 3.37Å; S458-L463 PolarHBondContact OG-O 2.91Å; S458-Y534 VanDerWaalsContact CB-CE1 3.46Å
459	S	86	Confident	85.1	Confident	14 Å²	14	35.3 Å²	35.3	10%	0.098	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-119.3	178.2	170.3	63.6	0	0	0	0	110.3	L461 H462 D465 Y534	S459-L461 PolarHBondContact O-N 3.23Å; S459-H462 PolarHBondContact N-O 3.23Å; S459-H462 PolarHBondContact O-N 2.94Å; S459-H462 PolarHBondContact OG-N 2.87Å; S459-D465 VanDerWaalsContact CB-CG 3.48Å; S459-D465 WeakPolarHBondContact CB-OD1 3.47Å; S459-D465 PolarHBondContact OG-OD1 2.82Å; S459-Y534 WeakPolarHBondContact O-CD1 3.39Å
460	K	80.5	Confident	85.6	Confident	31 Å²	31	35.6 Å²	35.6	14%	0.135	19%	0.19	C	C	.	.	S	Bend	trans	-55.1	-29.2	-179.6	-67.2	-177.5	-176.1	174.8	0	113	F438 Y534 I535	F438-K460 HydrophobicContact CE2-CG 3.76Å; F438-K460 HydrophobicContact CZ-CG 4.11Å; K460-Y534 PolarHBondContact O-N 3.33Å; K460-I535 HydrophobicContact CB-CB 4.34Å; K460-I535 HydrophobicContact CB-CG2 4.37Å; K460-I535 WeakPolarHBondContact O-CB 3.39Å; K460-I535 WeakPolarHBondContact O-CG2 3.16Å; K460-I535 PolarHBondContact O-N 3.12Å
461	L	83.5	Confident	86	Confident	30 Å²	30	37.5 Å²	37.5	16%	0.157	21%	0.209	C	C	.	.	S	Bend	trans	-105.2	-27	-171.8	-59.2	172.5	0	0	0	112.3	P104 R106 S459 R531 G532 E533 Y534	P104-L461 HydrophobicContact CB-CD1 4.43Å; R106-L461 HydrophobicContact CB-CD1 4.31Å; R106-L461 HydrophobicContact CG-CD1 3.5Å; R106-L461 VanDerWaalsContact CG-CD1 3.5Å; R106-L461 VanDerWaalsContact NH1-CD1 3.26Å; S459-L461 PolarHBondContact O-N 3.23Å; L461-R531 CarbonylContact O-C 3.23Å; L461-G532 WeakPolarHBondContact CD2-O 3.14Å; L461-G532 CarbonylContact O-C 3.32Å; L461-G532 WeakPolarHBondContact O-CA 3.29Å; L461-G532 PolarHBondContact O-N 2.93Å; L461-E533 PolarHBondContact O-N 3.03Å; L461-Y534 PolarHBondContact O-N 3.02Å
462	H	89.3	Confident	86.3	Confident	19 Å²	19	36.9 Å²	36.9	9%	0.088	21%	0.208	C	C	.	.			trans	-134	138.9	-170.2	-55	-50.5	0	0	0	112	R106 S458 S459 L464 R470 R531 G532	R106-H462 PolarHBondContact NH1-CD2 3.42Å; R106-H462 PolarHBondContact NH1-NE2 2.65Å; S458-H462 CarbonylContact C-O 3.59Å; S458-H462 WeakPolarHBondContact CA-O 3.39Å; S459-H462 PolarHBondContact N-O 3.23Å; S459-H462 PolarHBondContact O-N 2.94Å; S459-H462 PolarHBondContact OG-N 2.87Å; H462-L464 VanDerWaalsContact C-N 3.33Å; H462-R470 PolarHBondContact CD2-NH2 2.94Å; H462-R531 WeakPolarHBondContact ND1-CG 3.3Å; H462-G532 PolarHBondContact ND1-N 3.03Å
463	L	91.3	Very high	86.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-65.2	-39.8	171.8	-174.4	150.7	0	0	0	110.9	I457 S458 I523 A526 D527 Y534 V625	I457-L463 CarbonylContact C-O 3.6Å; S458-L463 VanDerWaalsContact CA-O 3.22Å; S458-L463 WeakPolarHBondContact CA-O 3.31Å; S458-L463 VanDerWaalsContact CB-O 3.32Å; S458-L463 WeakPolarHBondContact CB-O 3.37Å; S458-L463 PolarHBondContact OG-O 2.91Å; L463-I523 HydrophobicContact CD2-CG2 3.87Å; L463-A526 HydrophobicContact CD1-CB 4.04Å; L463-D527 HydrophobicContact CB-CB 4.37Å; L463-Y534 HydrophobicContact CB-CD2 3.83Å; L463-Y534 HydrophobicContact CB-CE2 3.87Å; L463-Y534 HydrophobicContact CB-CG 4.33Å; L463-Y534 HydrophobicContact CD1-CD2 4.38Å; L463-Y534 HydrophobicContact CD1-CE2 3.75Å; L463-Y534 HydrophobicContact CG-CD2 4.41Å; L463-Y534 HydrophobicContact CG-CE2 3.92Å; L463-V625 HydrophobicContact CD2-CG1 4.07Å
464	L	91.5	Very high	87.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	-112.8	106.5	168.9	-58.6	175.9	0	0	0	108.9	I457 H462 R470 V473 D527 V625 V727	I457-L464 HydrophobicContact CG2-CD2 3.45Å; I457-L464 VanDerWaalsContact CG2-CD2 3.45Å; I457-L464 WeakPolarHBondContact O-CA 3.22Å; H462-L464 VanDerWaalsContact C-N 3.33Å; L464-R470 HydrophobicContact CB-CB 4.33Å; L464-R470 PolarHBondContact O-NE 3.14Å; L464-R470 PolarHBondContact O-NH2 3.42Å; L464-V473 HydrophobicContact CD1-CB 4.37Å; L464-V473 HydrophobicContact CD1-CG2 3.66Å; L464-D527 WeakPolarHBondContact CB-OD1 3.36Å; L464-D527 HydrophobicContact CD1-CB 4.43Å; L464-D527 HydrophobicContact CG-CB 4.47Å; L464-D527 PolarHBondContact N-OD1 3.47Å; L464-D527 VanDerWaalsContact N-OD1 3.07Å; L464-V625 HydrophobicContact CD2-CG1 3.86Å; L464-V727 HydrophobicContact CD2-CG2 3.95Å
465	D	85.6	Confident	88.5	Confident	87 Å²	87	36.7 Å²	36.7	47%	0.465	20%	0.201	S	C	.	.			trans	-67.8	-44.9	-175.6	-167.9	46.3	0	0	0	112	I457 S459 Q467	I457-D465 WeakPolarHBondContact O-CB 3.47Å; I457-D465 PolarHBondContact O-N 3.1Å; S459-D465 VanDerWaalsContact CB-CG 3.48Å; S459-D465 WeakPolarHBondContact CB-OD1 3.47Å; S459-D465 PolarHBondContact OG-OD1 2.82Å; D465-Q467 PolarHBondContact O-N 3.15Å
466	N	87.4	Confident	89.2	Confident	53 Å²	53	37.1 Å²	37.1	28%	0.283	20%	0.202	S	C	.	.			trans	-74.7	117.7	-178.3	-172.1	-42.3	0	0	0	112.4	I468 L469 R470	N466-I468 VanDerWaalsContact C-N 3.28Å; N466-I468 PolarHBondContact O-N 2.03Å; N466-I468 WeakPolarHBondContact OD1-CA 2.88Å; N466-I468 VanDerWaalsContact OD1-CB 3.31Å; N466-I468 WeakPolarHBondContact OD1-CB 3.19Å; N466-I468 PolarHBondContact OD1-N 3.25Å; N466-L469 HydrophobicContact CB-CB 4.09Å; N466-L469 HydrophobicContact CB-CD1 4.02Å; N466-L469 HydrophobicContact CB-CG 4.06Å; N466-L469 PolarHBondContact O-N 2.74Å; N466-L469 VanDerWaalsContact O-N 3.13Å; N466-L469 PolarHBondContact OD1-N 3.06Å; N466-R470 PolarHBondContact O-N 3.14Å
467	Q	89.4	Confident	90.2	Very high	129 Å²	129	36.3 Å²	36.3	60%	0.603	19%	0.194	S	C	*	.	H	α-helix	trans	-57.6	-36	179.6	-172.8	68.4	-0.9	0	0	113.6	D465 R470 G471	D465-Q467 PolarHBondContact O-N 3.15Å; Q467-R470 PolarHBondContact O-N 3.33Å; Q467-G471 PolarHBondContact O-N 2.89Å; Q467-G471 VanDerWaalsContact O-N 3.07Å
468	I	92.1	Very high	90.7	Very high	108 Å²	108	39 Å²	39	55%	0.554	21%	0.213	S	C	*	.	H	α-helix	trans	-67.7	-45.6	178.2	-57.6	174.2	0	0	0	109.7	N466 R470 G471 S472 W724	N466-I468 VanDerWaalsContact C-N 3.28Å; N466-I468 PolarHBondContact O-N 2.03Å; N466-I468 WeakPolarHBondContact OD1-CA 2.88Å; N466-I468 VanDerWaalsContact OD1-CB 3.31Å; N466-I468 WeakPolarHBondContact OD1-CB 3.19Å; N466-I468 PolarHBondContact OD1-N 3.25Å; I468-R470 VanDerWaalsContact C-N 3.31Å; I468-R470 PolarHBondContact O-N 2.96Å; I468-G471 PolarHBondContact O-N 3.42Å; I468-S472 VanDerWaalsContact O-CB 3.31Å; I468-S472 WeakPolarHBondContact O-CB 3.47Å; I468-S472 PolarHBondContact O-N 3.31Å; I468-S472 PolarHBondContact O-OG 2.77Å; I468-W724 HydrophobicContact CB-CH2 4.43Å; I468-W724 HydrophobicContact CG2-CH2 3.86Å
469	L	91.3	Very high	91	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-41	177.6	-71.8	-176.9	0	0	0	111.2	N466 G471 S472 V473 A723 W724 V727	N466-L469 HydrophobicContact CB-CB 4.09Å; N466-L469 HydrophobicContact CB-CD1 4.02Å; N466-L469 HydrophobicContact CB-CG 4.06Å; N466-L469 PolarHBondContact O-N 2.74Å; N466-L469 VanDerWaalsContact O-N 3.13Å; N466-L469 PolarHBondContact OD1-N 3.06Å; L469-G471 PolarHBondContact O-N 3.3Å; L469-S472 WeakPolarHBondContact O-CB 3.38Å; L469-S472 PolarHBondContact O-N 3.17Å; L469-S472 VanDerWaalsContact O-N 3.13Å; L469-V473 WeakPolarHBondContact O-CG2 3.27Å; L469-V473 PolarHBondContact O-N 2.88Å; L469-A723 HydrophobicContact CD1-CB 3.56Å; L469-W724 HydrophobicContact CD1-CD2 4.47Å; L469-W724 HydrophobicContact CD2-CD2 3.65Å; L469-W724 HydrophobicContact CD2-CE3 3.33Å; L469-W724 HydrophobicContact CD2-CG 4.38Å; L469-W724 HydrophobicContact CD2-CH2 3.89Å; L469-W724 HydrophobicContact CD2-CZ2 4.17Å; L469-W724 HydrophobicContact CD2-CZ3 3.46Å; L469-W724 VanDerWaalsContact CD2-CZ3 3.46Å; L469-W724 HydrophobicContact CG-CD2 4.34Å; L469-W724 HydrophobicContact CG-CE3 4.4Å; L469-W724 HydrophobicContact CG-CH2 4.38Å; L469-W724 HydrophobicContact CG-CZ2 4.33Å; L469-W724 HydrophobicContact CG-CZ3 4.41Å; L469-V727 HydrophobicContact CB-CG1 4.06Å; L469-V727 HydrophobicContact CD2-CB 4.22Å; L469-V727 HydrophobicContact CD2-CG1 4.13Å
470	R	92.6	Very high	91.4	Very high	19 Å²	19	41.5 Å²	41.5	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-48.4	175.9	-171.6	-173.7	-65.5	165.3	-0.6	112.8	H462 L464 N466 Q467 I468 S472 D527	H462-R470 PolarHBondContact CD2-NH2 2.94Å; L464-R470 HydrophobicContact CB-CB 4.33Å; L464-R470 PolarHBondContact O-NE 3.14Å; L464-R470 PolarHBondContact O-NH2 3.42Å; N466-R470 PolarHBondContact O-N 3.14Å; Q467-R470 PolarHBondContact O-N 3.33Å; I468-R470 VanDerWaalsContact C-N 3.31Å; I468-R470 PolarHBondContact O-N 2.96Å; R470-S472 VanDerWaalsContact C-N 3.34Å; R470-D527 VanDerWaalsContact CD-OD2 3.29Å; R470-D527 WeakPolarHBondContact CD-OD2 3.02Å; R470-D527 VanDerWaalsContact CG-OD2 3.28Å; R470-D527 WeakPolarHBondContact CG-OD2 3.49Å; R470-D527 IonicContact NE-OD1 3.79Å; R470-D527 IonicContact NE-OD2 3.75Å; R470-D527 PolarHBondContact NE-OD2 2.79Å
471	G	93.6	Very high	92.2	Very high	39 Å²	39	41.6 Å²	41.6	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-40.1	173.6	0	0	0	0	0	112.3	Q467 I468 L469 V473 W474 V475	Q467-G471 PolarHBondContact O-N 2.89Å; Q467-G471 VanDerWaalsContact O-N 3.07Å; I468-G471 PolarHBondContact O-N 3.42Å; L469-G471 PolarHBondContact O-N 3.3Å; G471-V473 VanDerWaalsContact C-N 3.34Å; G471-V473 PolarHBondContact O-N 3Å; G471-W474 PolarHBondContact O-N 3.29Å; G471-V475 PolarHBondContact O-N 3.24Å
472	S	92.9	Very high	92.7	Very high	27 Å²	27	44.1 Å²	44.1	19%	0.189	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-37.2	-179.7	-58.7	0	0	0	0	112.6	I468 L469 R470 W474 V475 M476	I468-S472 VanDerWaalsContact O-CB 3.31Å; I468-S472 WeakPolarHBondContact O-CB 3.47Å; I468-S472 PolarHBondContact O-N 3.31Å; I468-S472 PolarHBondContact O-OG 2.77Å; L469-S472 WeakPolarHBondContact O-CB 3.38Å; L469-S472 PolarHBondContact O-N 3.17Å; L469-S472 VanDerWaalsContact O-N 3.13Å; R470-S472 VanDerWaalsContact C-N 3.34Å; S472-W474 VanDerWaalsContact C-N 3.34Å; S472-W474 PolarHBondContact O-N 3.04Å; S472-V475 PolarHBondContact O-N 2.87Å; S472-M476 WeakPolarHBondContact O-CB 3.36Å; S472-M476 VanDerWaalsContact O-CG 3.26Å; S472-M476 WeakPolarHBondContact O-CG 3.37Å; S472-M476 PolarHBondContact O-N 3.15Å
473	V	95	Very high	92.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-45.7	175.9	173.3	0	0	0	0	111.4	L464 L469 G471 M476 A477 L520 A524 V727	L464-V473 HydrophobicContact CD1-CB 4.37Å; L464-V473 HydrophobicContact CD1-CG2 3.66Å; L469-V473 WeakPolarHBondContact O-CG2 3.27Å; L469-V473 PolarHBondContact O-N 2.88Å; G471-V473 VanDerWaalsContact C-N 3.34Å; G471-V473 PolarHBondContact O-N 3Å; V473-M476 PolarHBondContact O-N 3.15Å; V473-A477 WeakPolarHBondContact O-CB 3.29Å; V473-A477 PolarHBondContact O-N 3.02Å; V473-L520 HydrophobicContact CG1-CB 4.32Å; V473-L520 WeakPolarHBondContact CG1-O 3.44Å; V473-A524 HydrophobicContact CG1-CB 3.67Å; V473-V727 HydrophobicContact CG2-CG1 3.18Å
474	W	95.3	Very high	92.9	Very high	88 Å²	88	43.9 Å²	43.9	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-41.9	179.6	-83.9	105.5	0	0	0	112.5	G471 S472 S478 A524 I528	G471-W474 PolarHBondContact O-N 3.29Å; S472-W474 VanDerWaalsContact C-N 3.34Å; S472-W474 PolarHBondContact O-N 3.04Å; W474-S478 VanDerWaalsContact O-CB 3.25Å; W474-S478 WeakPolarHBondContact O-CB 3.14Å; W474-S478 PolarHBondContact O-N 2.98Å; W474-S478 PolarHBondContact O-OG 3.21Å; W474-A524 HydrophobicContact CD2-CB 3.84Å; W474-A524 VanDerWaalsContact CE2-CB 3.4Å; W474-A524 HydrophobicContact CE3-CB 4.34Å; W474-A524 HydrophobicContact CG-CB 4.3Å; W474-A524 HydrophobicContact CH2-CB 4.09Å; W474-A524 HydrophobicContact CZ2-CB 3.53Å; W474-A524 HydrophobicContact CZ3-CB 4.46Å; W474-I528 HydrophobicContact CZ2-CD1 3.53Å
475	V	94.8	Very high	93	Very high	85 Å²	85	47.3 Å²	47.3	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-49.2	176.1	174.8	0	0	0	0	110.2	G471 S472 S478 I479	G471-V475 PolarHBondContact O-N 3.24Å; S472-V475 PolarHBondContact O-N 2.87Å; V475-S478 PolarHBondContact O-N 2.67Å; V475-I479 HydrophobicContact CG1-CD1 3.8Å; V475-I479 VanDerWaalsContact O-CG1 3.29Å; V475-I479 WeakPolarHBondContact O-CG1 3.32Å; V475-I479 PolarHBondContact O-N 3.23Å
476	M	93.1	Very high	93.2	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-47.2	179.6	-80.3	-59.6	-53.3	0	0	112.6	S472 V473 I479 A480 L520 L728 P731 V732 A735	S472-M476 WeakPolarHBondContact O-CB 3.36Å; S472-M476 VanDerWaalsContact O-CG 3.26Å; S472-M476 WeakPolarHBondContact O-CG 3.37Å; S472-M476 PolarHBondContact O-N 3.15Å; V473-M476 PolarHBondContact O-N 3.15Å; M476-I479 PolarHBondContact O-N 3.04Å; M476-A480 VanDerWaalsContact O-CB 3.22Å; M476-A480 WeakPolarHBondContact O-CB 3.45Å; M476-A480 PolarHBondContact O-N 2.9Å; M476-L520 HydrophobicContact CB-CD1 4.02Å; M476-L728 HydrophobicContact CG-CD1 4.31Å; M476-P731 HydrophobicContact CE-CB 3.95Å; M476-P731 HydrophobicContact CE-CG 4.35Å; M476-P731 WeakPolarHBondContact CE-O 3.48Å; M476-V732 HydrophobicContact CE-CB 4.36Å; M476-V732 HydrophobicContact SD-CG2 4.41Å; M476-A735 HydrophobicContact CE-CB 3.24Å; M476-A735 HydrophobicContact SD-CB 3.67Å
477	A	96.2	Very high	93.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-48.2	175.6	0	0	0	0	0	111.1	V473 I479 A480 V481 L520	V473-A477 WeakPolarHBondContact O-CB 3.29Å; V473-A477 PolarHBondContact O-N 3.02Å; A477-I479 PolarHBondContact O-N 3.35Å; A477-A480 PolarHBondContact O-N 3.36Å; A477-V481 WeakPolarHBondContact O-CB 3.38Å; A477-V481 VanDerWaalsContact O-CG2 3.28Å; A477-V481 WeakPolarHBondContact O-CG2 3.35Å; A477-V481 PolarHBondContact O-N 3.03Å; A477-L520 HydrophobicContact CB-CB 3.72Å
478	S	95.3	Very high	93.2	Very high	61 Å²	61	42.6 Å²	42.6	43%	0.427	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-47	-178.7	-60.9	0	0	0	0	111.8	W474 V475 V482	W474-S478 VanDerWaalsContact O-CB 3.25Å; W474-S478 WeakPolarHBondContact O-CB 3.14Å; W474-S478 PolarHBondContact O-N 2.98Å; W474-S478 PolarHBondContact O-OG 3.21Å; V475-S478 PolarHBondContact O-N 2.67Å; S478-V482 VanDerWaalsContact O-CB 3.25Å; S478-V482 WeakPolarHBondContact O-CB 3.4Å; S478-V482 WeakPolarHBondContact O-CG2 3.41Å; S478-V482 PolarHBondContact O-N 3.39Å
479	I	94.1	Very high	92.9	Very high	70 Å²	70	41.1 Å²	41.1	36%	0.359	24%	0.236	S	C	.	.	I	π-helix	trans	-66.1	-43.2	178.4	-63.1	168.9	0	0	0	110.6	V475 M476 A477 G483 A735	V475-I479 HydrophobicContact CG1-CD1 3.8Å; V475-I479 VanDerWaalsContact O-CG1 3.29Å; V475-I479 WeakPolarHBondContact O-CG1 3.32Å; V475-I479 PolarHBondContact O-N 3.23Å; M476-I479 PolarHBondContact O-N 3.04Å; A477-I479 PolarHBondContact O-N 3.35Å; I479-G483 WeakPolarHBondContact O-CA 2.92Å; I479-G483 PolarHBondContact O-N 3.13Å; I479-A735 HydrophobicContact CB-CB 3.98Å; I479-A735 HydrophobicContact CG2-CB 3.77Å; I479-A735 WeakPolarHBondContact CG2-O 3.4Å
480	A	94.7	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.25	C	S	.	.	I	π-helix	trans	-64.2	-44.2	179.1	0	0	0	0	0	112	M476 A477 N484 A735	M476-A480 VanDerWaalsContact O-CB 3.22Å; M476-A480 WeakPolarHBondContact O-CB 3.45Å; M476-A480 PolarHBondContact O-N 2.9Å; A477-A480 PolarHBondContact O-N 3.36Å; A480-N484 WeakPolarHBondContact O-CB 3.34Å; A480-N484 PolarHBondContact O-N 3.11Å; A480-N484 PolarHBondContact O-ND2 3.37Å; A480-A735 HydrophobicContact CB-CB 4.45Å
481	V	97	Very high	91.8	Very high	34 Å²	34	43.8 Å²	43.8	21%	0.206	26%	0.256	C	S	.	.	I	π-helix	trans	-69.7	-58.5	179	172.6	0	0	0	0	110.7	A477 L485 F514	A477-V481 WeakPolarHBondContact O-CB 3.38Å; A477-V481 VanDerWaalsContact O-CG2 3.28Å; A477-V481 WeakPolarHBondContact O-CG2 3.35Å; A477-V481 PolarHBondContact O-N 3.03Å; V481-L485 WeakPolarHBondContact O-CB 3.37Å; V481-L485 PolarHBondContact O-N 3.35Å; V481-F514 HydrophobicContact CB-CE2 4.4Å; V481-F514 HydrophobicContact CG1-CD2 4.45Å; V481-F514 HydrophobicContact CG1-CE2 3.78Å
482	V	94.5	Very high	91.1	Very high	82 Å²	82	49.6 Å²	49.6	50%	0.497	27%	0.267	S	S	.	.	I	π-helix	trans	-68.4	-47	-174.2	177.4	0	0	0	0	110.7	S478 N484 L485 L486	S478-V482 VanDerWaalsContact O-CB 3.25Å; S478-V482 WeakPolarHBondContact O-CB 3.4Å; S478-V482 WeakPolarHBondContact O-CG2 3.41Å; S478-V482 PolarHBondContact O-N 3.39Å; V482-N484 PolarHBondContact O-N 2.74Å; V482-L485 PolarHBondContact O-N 2.82Å; V482-L486 HydrophobicContact CG1-CD1 3.95Å; V482-L486 HydrophobicContact CG1-CG 4.33Å; V482-L486 WeakPolarHBondContact O-CB 3.49Å; V482-L486 VanDerWaalsContact O-CG 3.28Å; V482-L486 WeakPolarHBondContact O-CG 3.29Å; V482-L486 PolarHBondContact O-N 3.17Å
483	G	91.5	Very high	90.5	Very high	14 Å²	14	55.2 Å²	55.2	14%	0.144	29%	0.288	C	S	.	.	I	π-helix	trans	-60.1	-48.6	-178.6	0	0	0	0	0	112	I479 L486 V487 P738	I479-G483 WeakPolarHBondContact O-CA 2.92Å; I479-G483 PolarHBondContact O-N 3.13Å; G483-L486 PolarHBondContact O-N 3.32Å; G483-V487 VanDerWaalsContact O-CG2 3.24Å; G483-V487 WeakPolarHBondContact O-CG2 2.97Å; G483-V487 PolarHBondContact O-N 3.41Å; G483-V487 VanDerWaalsContact O-N 3.08Å; G483-P738 VanDerWaalsContact C-CG 3.46Å
484	N	93.7	Very high	89.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-33.7	179.5	-70.4	-66.6	0	0	0	112.6	A480 V482 L486 V487 L488 A510 D513 F514 S734 P738	A480-N484 WeakPolarHBondContact O-CB 3.34Å; A480-N484 PolarHBondContact O-N 3.11Å; A480-N484 PolarHBondContact O-ND2 3.37Å; V482-N484 PolarHBondContact O-N 2.74Å; N484-L486 PolarHBondContact O-N 2.96Å; N484-V487 PolarHBondContact O-N 2.93Å; N484-L488 VanDerWaalsContact O-CG 3.29Å; N484-L488 WeakPolarHBondContact O-CG 3.24Å; N484-L488 PolarHBondContact O-N 3.17Å; N484-A510 HydrophobicContact CB-CB 4.19Å; N484-A510 WeakPolarHBondContact CB-O 2.89Å; N484-A510 WeakPolarHBondContact OD1-CA 3.24Å; N484-D513 WeakPolarHBondContact ND2-CB 3.17Å; N484-F514 HydrophobicContact CB-CB 4.04Å; N484-S734 PolarHBondContact ND2-O 3.14Å; N484-P738 HydrophobicContact CB-CG 4.4Å; N484-P738 WeakPolarHBondContact ND2-CG 2.99Å; N484-P738 WeakPolarHBondContact OD1-CG 3.38Å
485	L	93.1	Very high	87.8	Confident	75 Å²	75	69.2 Å²	69.2	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-44.6	172.3	-178.7	61.7	0	0	0	111.6	V481 V482 V487 L488 L489 F514	V481-L485 WeakPolarHBondContact O-CB 3.37Å; V481-L485 PolarHBondContact O-N 3.35Å; V482-L485 PolarHBondContact O-N 2.82Å; L485-V487 VanDerWaalsContact C-N 3.32Å; L485-V487 PolarHBondContact O-N 2.65Å; L485-L488 PolarHBondContact O-N 2.86Å; L485-L489 HydrophobicContact CD1-CD1 4.09Å; L485-L489 HydrophobicContact CD1-CG 4.08Å; L485-L489 HydrophobicContact CG-CD1 3.96Å; L485-L489 HydrophobicContact CG-CG 4.34Å; L485-L489 WeakPolarHBondContact O-CB 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.62Å; L485-F514 HydrophobicContact CB-CE2 4.29Å
486	L	90	Very high	86.2	Confident	112 Å²	112	68 Å²	68	59%	0.586	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-38.4	175.4	-71.8	174.6	0	0	0	112.1	V482 G483 N484 G490	V482-L486 HydrophobicContact CG1-CD1 3.95Å; V482-L486 HydrophobicContact CG1-CG 4.33Å; V482-L486 WeakPolarHBondContact O-CB 3.49Å; V482-L486 VanDerWaalsContact O-CG 3.28Å; V482-L486 WeakPolarHBondContact O-CG 3.29Å; V482-L486 PolarHBondContact O-N 3.17Å; G483-L486 PolarHBondContact O-N 3.32Å; N484-L486 PolarHBondContact O-N 2.96Å; L486-G490 WeakPolarHBondContact O-CA 3.5Å; L486-G490 PolarHBondContact O-N 3.45Å
487	V	87.2	Confident	84.6	Confident	17 Å²	17	79.4 Å²	79.4	10%	0.103	39%	0.385	C	S	.	.	H	α-helix	trans	-64.2	-42.1	174.9	173.8	0	0	0	0	111.1	G483 N484 L485 R491 A510 P738 Y741	G483-V487 VanDerWaalsContact O-CG2 3.24Å; G483-V487 WeakPolarHBondContact O-CG2 2.97Å; G483-V487 PolarHBondContact O-N 3.41Å; G483-V487 VanDerWaalsContact O-N 3.08Å; N484-V487 PolarHBondContact O-N 2.93Å; L485-V487 VanDerWaalsContact C-N 3.32Å; L485-V487 PolarHBondContact O-N 2.65Å; V487-R491 VanDerWaalsContact O-CB 3.31Å; V487-R491 WeakPolarHBondContact O-CB 3.35Å; V487-R491 WeakPolarHBondContact O-CG 3.06Å; V487-R491 PolarHBondContact O-N 2.87Å; V487-A510 HydrophobicContact CB-CB 4.16Å; V487-A510 HydrophobicContact CG1-CB 3.82Å; V487-P738 HydrophobicContact CG2-CB 4.21Å; V487-Y741 HydrophobicContact CB-CD2 4.49Å; V487-Y741 HydrophobicContact CG1-CD2 3.96Å; V487-Y741 HydrophobicContact CG1-CE2 4.28Å; V487-Y741 HydrophobicContact CG2-CD2 3.73Å; V487-Y741 HydrophobicContact CG2-CE2 4.41Å
488	L	88.9	Confident	82.9	Confident	40 Å²	40	81.4 Å²	81.4	21%	0.209	40%	0.399	C	S	.	.	H	α-helix	trans	-65.1	-52.1	177.8	-71.9	169.5	0	0	0	111.8	N484 L485 R491 Y492 R507 A510 A511	N484-L488 VanDerWaalsContact O-CG 3.29Å; N484-L488 WeakPolarHBondContact O-CG 3.24Å; N484-L488 PolarHBondContact O-N 3.17Å; L485-L488 PolarHBondContact O-N 2.86Å; L488-R491 PolarHBondContact O-N 3.23Å; L488-Y492 WeakPolarHBondContact O-CB 3.49Å; L488-Y492 PolarHBondContact O-N 3.48Å; L488-R507 HydrophobicContact CD2-CB 4.23Å; L488-R507 HydrophobicContact CD2-CG 4.49Å; L488-R507 VanDerWaalsContact CD2-O 3.24Å; L488-R507 WeakPolarHBondContact CD2-O 3.39Å; L488-A510 HydrophobicContact CD2-CB 4.05Å; L488-A510 HydrophobicContact CG-CB 3.99Å; L488-A511 HydrophobicContact CD2-CB 4.4Å
489	L	87.1	Confident	81.6	Confident	77 Å²	77	82 Å²	82	40%	0.403	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-46.4	179.5	-66.6	177.2	0	0	0	111.2	L485 R491 Y492 F493	L485-L489 HydrophobicContact CD1-CD1 4.09Å; L485-L489 HydrophobicContact CD1-CG 4.08Å; L485-L489 HydrophobicContact CG-CD1 3.96Å; L485-L489 HydrophobicContact CG-CG 4.34Å; L485-L489 WeakPolarHBondContact O-CB 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.62Å; L489-R491 VanDerWaalsContact C-N 3.3Å; L489-R491 PolarHBondContact O-N 2.73Å; L489-Y492 PolarHBondContact O-N 3.1Å; L489-Y492 VanDerWaalsContact O-N 3.1Å; L489-F493 HydrophobicContact CB-CD2 4.32Å; L489-F493 HydrophobicContact CB-CE2 4.39Å; L489-F493 HydrophobicContact CD2-CE2 4.08Å; L489-F493 VanDerWaalsContact O-CD2 3.26Å; L489-F493 WeakPolarHBondContact O-CD2 3.14Å; L489-F493 PolarHBondContact O-N 3.23Å
490	G	80.9	Confident	80.6	Confident	31 Å²	31	82.7 Å²	82.7	32%	0.32	40%	0.404	S	S	.	.	H	α-helix	trans	-56.7	-43.4	177.7	0	0	0	0	0	111.9	L486 Y494	L486-G490 WeakPolarHBondContact O-CA 3.5Å; L486-G490 PolarHBondContact O-N 3.45Å; G490-Y494 WeakPolarHBondContact O-CA 3.35Å; G490-Y494 VanDerWaalsContact O-CB 3.27Å; G490-Y494 WeakPolarHBondContact O-CB 3.26Å; G490-Y494 PolarHBondContact O-N 3.33Å
491	R	79.4	Confident	79.8	Confident	49 Å²	49	83.8 Å²	83.8	19%	0.185	41%	0.409	C	S	.	.	H	α-helix	trans	-76.4	-22.7	177.4	-69.6	179.2	-176	-69.9	-7.2	114.2	V487 L488 L489 R507	V487-R491 VanDerWaalsContact O-CB 3.31Å; V487-R491 WeakPolarHBondContact O-CB 3.35Å; V487-R491 WeakPolarHBondContact O-CG 3.06Å; V487-R491 PolarHBondContact O-N 2.87Å; L488-R491 PolarHBondContact O-N 3.23Å; L489-R491 VanDerWaalsContact C-N 3.3Å; L489-R491 PolarHBondContact O-N 2.73Å; R491-R507 HydrophobicContact CB-CG 3.93Å
492	Y	79.6	Confident	78.9	Confident	160 Å²	160	82.4 Å²	82.4	63%	0.627	40%	0.401	S	S	*	.	H	α-helix	trans	-75.9	-50.5	175.2	-179.2	-97.7	0	0	0	111.2	L488 L489	L488-Y492 WeakPolarHBondContact O-CB 3.49Å; L488-Y492 PolarHBondContact O-N 3.48Å; L489-Y492 PolarHBondContact O-N 3.1Å; L489-Y492 VanDerWaalsContact O-N 3.1Å
493	F	79.6	Confident	78.2	Confident	145 Å²	145	79.2 Å²	79.2	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-77.3	-41.3	-178.3	-69.8	-63.7	0	0	0	112.8	L489	L489-F493 HydrophobicContact CB-CD2 4.32Å; L489-F493 HydrophobicContact CB-CE2 4.39Å; L489-F493 HydrophobicContact CD2-CE2 4.08Å; L489-F493 VanDerWaalsContact O-CD2 3.26Å; L489-F493 WeakPolarHBondContact O-CD2 3.14Å; L489-F493 PolarHBondContact O-N 3.23Å
494	Y	69.9	Low	78.1	Confident	184 Å²	184	80.2 Å²	80.2	72%	0.722	38%	0.384	S	S	*	.	S	Bend	trans	-98.3	99.5	178.7	-61.9	-83.3	0	0	0	110.1	G490 S496	G490-Y494 WeakPolarHBondContact O-CA 3.35Å; G490-Y494 VanDerWaalsContact O-CB 3.27Å; G490-Y494 WeakPolarHBondContact O-CB 3.26Å; G490-Y494 PolarHBondContact O-N 3.33Å; Y494-S496 VanDerWaalsContact C-N 3.3Å; Y494-S496 PolarHBondContact O-N 2.86Å
495	K	64.2	Low	77.8	Confident	201 Å²	201	80.3 Å²	80.3	87%	0.874	39%	0.385	S	S	*	.			trans	-66.8	92	172.7	-152.9	173	-169.8	174.8	0	108.9
496	S	61.2	Low	77.5	Confident	61 Å²	61	77.5 Å²	77.5	43%	0.427	37%	0.37	S	S	.	.			trans	-56	140.4	-179.7	174.8	0	0	0	0	110.7	Y494 S498	Y494-S496 VanDerWaalsContact C-N 3.3Å; Y494-S496 PolarHBondContact O-N 2.86Å; S496-S498 VanDerWaalsContact CB-OG 3.29Å; S496-S498 WeakPolarHBondContact CB-OG 3.46Å; S496-S498 PolarHBondContact O-N 3.22Å; S496-S498 VanDerWaalsContact OG-CB 3.27Å; S496-S498 WeakPolarHBondContact OG-CB 3.41Å; S496-S498 PolarHBondContact OG-N 3.19Å; S496-S498 VanDerWaalsContact OG-N 3.11Å; S496-S498 PolarHBondContact OG-OG 3.22Å
497	R	58.3	Low	77.5	Confident	254 Å²	254	76.9 Å²	76.9	96%	0.958	36%	0.36	S	S	*	.	S	Bend	trans	-64.3	-3	168.7	-76.3	-175.3	178.5	176.6	-1	113.2
498	S	60.6	Low	77.9	Confident	42 Å²	42	78.4 Å²	78.4	29%	0.294	37%	0.365	S	S	.	.	S	Bend	trans	-68.5	159.4	174.3	61.1	0	0	0	0	112	S496 V500	S496-S498 VanDerWaalsContact CB-OG 3.29Å; S496-S498 WeakPolarHBondContact CB-OG 3.46Å; S496-S498 PolarHBondContact O-N 3.22Å; S496-S498 VanDerWaalsContact OG-CB 3.27Å; S496-S498 WeakPolarHBondContact OG-CB 3.41Å; S496-S498 PolarHBondContact OG-N 3.19Å; S496-S498 VanDerWaalsContact OG-N 3.11Å; S496-S498 PolarHBondContact OG-OG 3.22Å; S498-V500 PolarHBondContact O-N 2.85Å
499	N	67.6	Low	78	Confident	75 Å²	75	76.7 Å²	76.7	40%	0.401	36%	0.356	S	S	.	.			trans	-47.3	127.1	169.9	-65.8	-13.4	0	0	0	111	E501 H502 S503	N499-E501 PolarHBondContact O-N 3.46Å; N499-H502 HydrophobicContact CB-CB 4.49Å; N499-H502 WeakPolarHBondContact CB-CD2 3.44Å; N499-H502 PolarHBondContact ND2-NE2 2.02Å; N499-H502 PolarHBondContact O-N 2.73Å; N499-S503 PolarHBondContact O-N 3.34Å
500	V	74.8	Confident	78.3	Confident	84 Å²	84	73 Å²	73	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-56.2	-39.3	-176.8	174.6	0	0	0	0	111.2	S498 H502 S503 L504	S498-V500 PolarHBondContact O-N 2.85Å; V500-H502 PolarHBondContact O-N 2.97Å; V500-S503 PolarHBondContact O-N 2.88Å; V500-L504 PolarHBondContact O-N 2.83Å
501	E	77	Confident	79	Confident	22 Å²	22	73 Å²	73	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-45.7	179.9	-60.2	166.3	177.3	0	0	111.9	N499 S503 L504 Y505 R583 I590	N499-E501 PolarHBondContact O-N 3.46Å; E501-S503 PolarHBondContact O-N 3.23Å; E501-L504 VanDerWaalsContact O-CB 3.31Å; E501-L504 WeakPolarHBondContact O-CB 3.22Å; E501-L504 PolarHBondContact O-N 3.49Å; E501-L504 VanDerWaalsContact O-N 3.12Å; E501-Y505 WeakPolarHBondContact O-CD2 3.24Å; E501-Y505 PolarHBondContact O-N 2.76Å; E501-R583 IonicContact OE2-NH2 3.36Å; E501-I590 HydrophobicContact CB-CD1 3.95Å; E501-I590 HydrophobicContact CG-CD1 3.56Å
502	H	77	Confident	79.9	Confident	5 Å²	5	70.6 Å²	70.6	2%	0.023	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-42.6	179.5	-64.6	-144.6	0	0	0	111.2	N499 V500 L504 Y505 L506 R572 V686 F690	N499-H502 HydrophobicContact CB-CB 4.49Å; N499-H502 WeakPolarHBondContact CB-CD2 3.44Å; N499-H502 PolarHBondContact ND2-NE2 2.02Å; N499-H502 PolarHBondContact O-N 2.73Å; V500-H502 PolarHBondContact O-N 2.97Å; H502-L504 PolarHBondContact O-N 3.47Å; H502-Y505 PolarHBondContact O-N 3.04Å; H502-L506 WeakPolarHBondContact O-CB 3.22Å; H502-L506 WeakPolarHBondContact O-CD1 3.28Å; H502-L506 PolarHBondContact O-N 3.09Å; H502-R572 PolarHBondContact CE1-NH1 3.17Å; H502-R572 PolarHBondContact CE1-NH2 2.92Å; H502-R572 PolarHBondContact ND1-NH2 2.86Å; H502-R572 PolarHBondContact NE2-NH1 2.94Å; H502-V686 VanDerWaalsContact CE1-CG1 3.48Å; H502-V686 WeakPolarHBondContact CE1-CG1 3.34Å; H502-V686 WeakPolarHBondContact ND1-CG1 3.25Å; H502-F690 HydrophobicContact CB-CE2 4.46Å; H502-F690 HydrophobicContact CB-CZ 4.42Å; H502-F690 AromaticContact ND1-CE2 3.67Å
503	S	81.7	Confident	80.6	Confident	16 Å²	16	63 Å²	63	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-28.4	176.5	-165.3	0	0	0	0	111.8	N499 V500 E501 R507	N499-S503 PolarHBondContact O-N 3.34Å; V500-S503 PolarHBondContact O-N 2.88Å; E501-S503 PolarHBondContact O-N 3.23Å; S503-R507 VanDerWaalsContact O-CG 3.24Å; S503-R507 WeakPolarHBondContact O-CG 3.38Å; S503-R507 PolarHBondContact O-N 2.59Å
504	L	87.9	Confident	81.4	Confident	35 Å²	35	58.6 Å²	58.6	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-52.3	173.7	-174.4	63.9	0	0	0	110.8	V500 E501 H502 L506 R507 H508 I590 V591 L594	V500-L504 PolarHBondContact O-N 2.83Å; E501-L504 VanDerWaalsContact O-CB 3.31Å; E501-L504 WeakPolarHBondContact O-CB 3.22Å; E501-L504 PolarHBondContact O-N 3.49Å; E501-L504 VanDerWaalsContact O-N 3.12Å; H502-L504 PolarHBondContact O-N 3.47Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 3.01Å; L504-R507 WeakPolarHBondContact O-CB 3.32Å; L504-R507 PolarHBondContact O-N 2.85Å; L504-H508 PolarHBondContact O-CD2 3.1Å; L504-H508 VanDerWaalsContact O-CD2 3.27Å; L504-H508 PolarHBondContact O-N 2.93Å; L504-I590 HydrophobicContact CD2-CG2 3.78Å; L504-V591 HydrophobicContact CD2-CG2 3.98Å; L504-L594 HydrophobicContact CD2-CD1 3.77Å; L504-L594 HydrophobicContact CG-CD1 3.88Å
505	Y	88.9	Confident	82.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-55.8	-45.7	176.9	-70.4	-59.4	0	0	0	112.9	E501 H502 R507 H508 L509 L564 L567 V568 D571 I590 L594	E501-Y505 WeakPolarHBondContact O-CD2 3.24Å; E501-Y505 PolarHBondContact O-N 2.76Å; H502-Y505 PolarHBondContact O-N 3.04Å; Y505-R507 VanDerWaalsContact C-N 3.29Å; Y505-R507 PolarHBondContact O-N 3.26Å; Y505-H508 PolarHBondContact O-N 3.44Å; Y505-L509 PolarHBondContact O-N 3.28Å; Y505-L564 HydrophobicContact CD1-CD1 3.96Å; Y505-L567 HydrophobicContact CE1-CD2 4.04Å; Y505-L567 HydrophobicContact CE1-CG 4.13Å; Y505-V568 HydrophobicContact CD1-CG2 3.5Å; Y505-V568 HydrophobicContact CD2-CG2 4.13Å; Y505-V568 HydrophobicContact CE1-CG2 4.11Å; Y505-V568 HydrophobicContact CG-CG2 3.52Å; Y505-D571 HydrophobicContact CE2-CB 4.35Å; Y505-I590 HydrophobicContact CE1-CG2 4.09Å; Y505-I590 HydrophobicContact CE2-CG2 4.46Å; Y505-L594 HydrophobicContact CD1-CD2 4.08Å; Y505-L594 HydrophobicContact CE1-CD2 4.1Å; Y505-L594 HydrophobicContact CE1-CG 4.48Å
506	L	86.8	Confident	84.3	Confident	16 Å²	16	41.9 Å²	41.9	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-34.2	176.9	-82.7	148.5	0	0	0	113.1	H502 L504 A510 F690 Y741	H502-L506 WeakPolarHBondContact O-CB 3.22Å; H502-L506 WeakPolarHBondContact O-CD1 3.28Å; H502-L506 PolarHBondContact O-N 3.09Å; L504-L506 VanDerWaalsContact C-N 3.33Å; L504-L506 PolarHBondContact O-N 3.01Å; L506-A510 WeakPolarHBondContact O-CB 3.49Å; L506-A510 PolarHBondContact O-N 3.3Å; L506-F690 HydrophobicContact CD1-CZ 4.25Å; L506-F690 HydrophobicContact CG-CE1 4.38Å; L506-F690 HydrophobicContact CG-CZ 4.43Å; L506-Y741 HydrophobicContact CD2-CD1 3.33Å; L506-Y741 HydrophobicContact CD2-CD2 4.44Å; L506-Y741 HydrophobicContact CD2-CE1 3.16Å; L506-Y741 HydrophobicContact CD2-CE2 4.34Å; L506-Y741 HydrophobicContact CD2-CG 4.01Å
507	R	89.8	Confident	86	Confident	99 Å²	99	39 Å²	39	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-68.7	-41.8	174	-77.6	173.3	64.5	-166.7	-1.6	111.7	L488 R491 S503 L504 Y505 L509 A511	L488-R507 HydrophobicContact CD2-CB 4.23Å; L488-R507 HydrophobicContact CD2-CG 4.49Å; L488-R507 VanDerWaalsContact CD2-O 3.24Å; L488-R507 WeakPolarHBondContact CD2-O 3.39Å; R491-R507 HydrophobicContact CB-CG 3.93Å; S503-R507 VanDerWaalsContact O-CG 3.24Å; S503-R507 WeakPolarHBondContact O-CG 3.38Å; S503-R507 PolarHBondContact O-N 2.59Å; L504-R507 WeakPolarHBondContact O-CB 3.32Å; L504-R507 PolarHBondContact O-N 2.85Å; Y505-R507 VanDerWaalsContact C-N 3.29Å; Y505-R507 PolarHBondContact O-N 3.26Å; R507-L509 VanDerWaalsContact C-N 3.34Å; R507-A511 WeakPolarHBondContact O-CB 3.08Å; R507-A511 PolarHBondContact O-N 2.72Å
508	H	93.7	Very high	87.9	Confident	48 Å²	48	29.6 Å²	29.6	22%	0.222	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-34.5	177.3	-76.6	-83.8	0	0	0	112.4	L504 Y505 A511 S512 L564 L594 W598	L504-H508 PolarHBondContact O-CD2 3.1Å; L504-H508 VanDerWaalsContact O-CD2 3.27Å; L504-H508 PolarHBondContact O-N 2.93Å; Y505-H508 PolarHBondContact O-N 3.44Å; H508-A511 PolarHBondContact O-N 2.94Å; H508-S512 PolarHBondContact O-N 2.76Å; H508-L564 HydrophobicContact CB-CD1 4.4Å; H508-L564 HydrophobicContact CB-CD2 3.83Å; H508-L594 HydrophobicContact CB-CD2 4.38Å; H508-W598 AromaticContact CG-NE1 3.91Å; H508-W598 AromaticContact ND1-CD1 3.85Å; H508-W598 AromaticContact ND1-CE2 3.94Å; H508-W598 AromaticContact ND1-NE1 3.11Å; H508-W598 PolarHBondContact ND1-NE1 2.91Å; H508-W598 VanDerWaalsContact ND1-NE1 3.11Å
509	L	92.2	Very high	89.7	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-47.9	175.5	-173.4	53.8	0	0	0	110.5	Y505 R507 A511 S512 D513 L564 L565 I693 Y741	Y505-L509 PolarHBondContact O-N 3.28Å; R507-L509 VanDerWaalsContact C-N 3.34Å; L509-A511 VanDerWaalsContact C-N 3.27Å; L509-A511 PolarHBondContact O-N 2.87Å; L509-S512 WeakPolarHBondContact O-CB 3.44Å; L509-S512 PolarHBondContact O-N 3.17Å; L509-S512 VanDerWaalsContact O-N 3.07Å; L509-D513 PolarHBondContact O-N 3.24Å; L509-L564 VanDerWaalsContact CA-CD2 3.41Å; L509-L564 HydrophobicContact CB-CD2 3.62Å; L509-L564 HydrophobicContact CD1-CD2 4.18Å; L509-L564 HydrophobicContact CG-CD2 4.46Å; L509-L565 HydrophobicContact CD2-CD2 3.98Å; L509-I693 HydrophobicContact CD2-CG2 3.79Å; L509-Y741 WeakPolarHBondContact CD2-OH 3.24Å; L509-Y741 VanDerWaalsContact CG-OH 3.29Å; L509-Y741 WeakPolarHBondContact CG-OH 3.43Å
510	A	93.8	Very high	91.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-36.7	173.7	0	0	0	0	0	112.7	N484 V487 L488 L506 F514	N484-A510 HydrophobicContact CB-CB 4.19Å; N484-A510 WeakPolarHBondContact CB-O 2.89Å; N484-A510 WeakPolarHBondContact OD1-CA 3.24Å; V487-A510 HydrophobicContact CB-CB 4.16Å; V487-A510 HydrophobicContact CG1-CB 3.82Å; L488-A510 HydrophobicContact CD2-CB 4.05Å; L488-A510 HydrophobicContact CG-CB 3.99Å; L506-A510 WeakPolarHBondContact O-CB 3.49Å; L506-A510 PolarHBondContact O-N 3.3Å; A510-F514 WeakPolarHBondContact O-CB 3.44Å; A510-F514 PolarHBondContact O-N 3.38Å
511	A	96.2	Very high	92.2	Very high	30 Å²	30	22.6 Å²	22.6	25%	0.248	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-38.4	174.7	0	0	0	0	0	112.5	L488 R507 H508 L509 L515 W598	L488-A511 HydrophobicContact CD2-CB 4.4Å; R507-A511 WeakPolarHBondContact O-CB 3.08Å; R507-A511 PolarHBondContact O-N 2.72Å; H508-A511 PolarHBondContact O-N 2.94Å; L509-A511 VanDerWaalsContact C-N 3.27Å; L509-A511 PolarHBondContact O-N 2.87Å; A511-L515 WeakPolarHBondContact O-CG 3.38Å; A511-L515 PolarHBondContact O-N 2.93Å; A511-W598 HydrophobicContact CB-CZ2 4.3Å
512	S	96.6	Very high	93.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-48.3	175.1	-178.2	0	0	0	0	111.8	H508 L509 F514 L515 M516 S557 S560 S561	H508-S512 PolarHBondContact O-N 2.76Å; L509-S512 WeakPolarHBondContact O-CB 3.44Å; L509-S512 PolarHBondContact O-N 3.17Å; L509-S512 VanDerWaalsContact O-N 3.07Å; S512-F514 VanDerWaalsContact C-N 3.27Å; S512-F514 PolarHBondContact O-N 3.02Å; S512-L515 WeakPolarHBondContact O-CB 3.43Å; S512-L515 PolarHBondContact O-N 3.27Å; S512-M516 PolarHBondContact O-N 3.09Å; S512-S557 WeakPolarHBondContact O-CB 3.47Å; S512-S557 PolarHBondContact O-OG 3.16Å; S512-S557 PolarHBondContact OG-O 3.47Å; S512-S560 WeakPolarHBondContact CB-OG 3.36Å; S512-S560 PolarHBondContact OG-OG 3.36Å; S512-S561 WeakPolarHBondContact CB-OG 3.34Å; S512-S561 PolarHBondContact OG-N 2.97Å; S512-S561 PolarHBondContact OG-OG 2.72Å
513	D	95.6	Very high	94.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-31.3	178.1	-71.3	-37.8	0	0	0	112.6	N484 L509 L515 M516 G517 S734 N737	N484-D513 WeakPolarHBondContact ND2-CB 3.17Å; L509-D513 PolarHBondContact O-N 3.24Å; D513-L515 VanDerWaalsContact C-N 3.31Å; D513-L515 PolarHBondContact O-N 3.43Å; D513-M516 WeakPolarHBondContact O-CB 3.35Å; D513-M516 PolarHBondContact O-N 3.03Å; D513-G517 PolarHBondContact O-N 3.01Å; D513-G517 VanDerWaalsContact O-N 3.14Å; D513-S734 VanDerWaalsContact OD1-CA 3.31Å; D513-S734 WeakPolarHBondContact OD1-CA 3.13Å; D513-S734 VanDerWaalsContact OD1-CB 3.29Å; D513-S734 WeakPolarHBondContact OD1-CB 3.38Å; D513-S734 PolarHBondContact OD1-OG 3.31Å; D513-N737 WeakPolarHBondContact OD2-CB 3.39Å; D513-N737 PolarHBondContact OD2-ND2 3.22Å
514	F	96.8	Very high	94.8	Very high	52 Å²	52	23.1 Å²	23.1	23%	0.228	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-36.3	172.7	179.3	-101.7	0	0	0	112.2	V481 N484 L485 A510 S512 M516 G517 I518	V481-F514 HydrophobicContact CB-CE2 4.4Å; V481-F514 HydrophobicContact CG1-CD2 4.45Å; V481-F514 HydrophobicContact CG1-CE2 3.78Å; N484-F514 HydrophobicContact CB-CB 4.04Å; L485-F514 HydrophobicContact CB-CE2 4.29Å; A510-F514 WeakPolarHBondContact O-CB 3.44Å; A510-F514 PolarHBondContact O-N 3.38Å; S512-F514 VanDerWaalsContact C-N 3.27Å; S512-F514 PolarHBondContact O-N 3.02Å; F514-M516 VanDerWaalsContact C-N 3.34Å; F514-G517 WeakPolarHBondContact O-CA 3.41Å; F514-G517 PolarHBondContact O-N 3.45Å; F514-G517 VanDerWaalsContact O-N 3.13Å; F514-I518 HydrophobicContact CD1-CD1 4.05Å; F514-I518 HydrophobicContact CD1-CG1 4.49Å; F514-I518 HydrophobicContact CE1-CD1 3.61Å; F514-I518 HydrophobicContact CE1-CG1 4.16Å; F514-I518 HydrophobicContact CZ-CD1 4.26Å; F514-I518 HydrophobicContact CZ-CG1 4.45Å; F514-I518 PolarHBondContact O-N 3Å
515	L	97.8	Very high	95.2	Very high	31 Å²	31	24.1 Å²	24.1	16%	0.162	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-37.5	175.1	-63	172.3	0	0	0	111.8	A511 S512 D513 G517 I518 Y519 L553 F556 W598	A511-L515 WeakPolarHBondContact O-CG 3.38Å; A511-L515 PolarHBondContact O-N 2.93Å; S512-L515 WeakPolarHBondContact O-CB 3.43Å; S512-L515 PolarHBondContact O-N 3.27Å; D513-L515 VanDerWaalsContact C-N 3.31Å; D513-L515 PolarHBondContact O-N 3.43Å; L515-G517 VanDerWaalsContact C-N 3.28Å; L515-G517 PolarHBondContact O-N 2.68Å; L515-I518 HydrophobicContact CD2-CD1 4.46Å; L515-I518 PolarHBondContact O-N 2.57Å; L515-Y519 PolarHBondContact O-N 3Å; L515-L553 HydrophobicContact CD2-CD2 4.12Å; L515-F556 HydrophobicContact CD1-CD1 3.66Å; L515-F556 HydrophobicContact CD1-CE1 3.81Å; L515-W598 HydrophobicContact CD1-CH2 3.98Å; L515-W598 HydrophobicContact CD1-CZ3 3.85Å
516	M	96.2	Very high	95.5	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-40.8	171.3	-173.6	58	69.7	0	0	110.9	S512 D513 F514 I518 Y519 L520 S557 C558 P731	S512-M516 PolarHBondContact O-N 3.09Å; D513-M516 WeakPolarHBondContact O-CB 3.35Å; D513-M516 PolarHBondContact O-N 3.03Å; F514-M516 VanDerWaalsContact C-N 3.34Å; M516-I518 PolarHBondContact O-N 2.89Å; M516-Y519 WeakPolarHBondContact O-CB 3.42Å; M516-Y519 PolarHBondContact O-N 2.85Å; M516-Y519 HydrophobicContact SD-CD1 3.49Å; M516-Y519 WeakPolarHBondContact SD-CD1 3.39Å; M516-Y519 HydrophobicContact SD-CE1 4.07Å; M516-Y519 HydrophobicContact SD-CG 4.43Å; M516-L520 HydrophobicContact CG-CD1 4.43Å; M516-L520 WeakPolarHBondContact O-CG 3.41Å; M516-L520 PolarHBondContact O-N 2.71Å; M516-S557 WeakPolarHBondContact CB-OG 3.42Å; M516-S557 PolarHBondContact N-OG 2.99Å; M516-C558 WeakPolarHBondContact CE-SG 3.25Å; M516-P731 HydrophobicContact CG-CB 4.04Å; M516-P731 HydrophobicContact SD-CB 4.32Å
517	G	97.4	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-41.8	174.7	0	0	0	0	0	113.6	D513 F514 L515 L520 T521	D513-G517 PolarHBondContact O-N 3.01Å; D513-G517 VanDerWaalsContact O-N 3.14Å; F514-G517 WeakPolarHBondContact O-CA 3.41Å; F514-G517 PolarHBondContact O-N 3.45Å; F514-G517 VanDerWaalsContact O-N 3.13Å; L515-G517 VanDerWaalsContact C-N 3.28Å; L515-G517 PolarHBondContact O-N 2.68Å; G517-L520 PolarHBondContact O-N 2.87Å; G517-T521 WeakPolarHBondContact O-CB 3.15Å; G517-T521 PolarHBondContact O-N 3.04Å; G517-T521 PolarHBondContact O-OG1 3.27Å
518	I	98	Very high	96.1	Very high	57 Å²	57	23 Å²	23	29%	0.292	13%	0.127	S	C	.	.	H	α-helix	trans	-63.8	-46	174.3	-62.9	175.2	0	0	0	110.5	F514 L515 M516 L520 T521 L522 L553	F514-I518 HydrophobicContact CD1-CD1 4.05Å; F514-I518 HydrophobicContact CD1-CG1 4.49Å; F514-I518 HydrophobicContact CE1-CD1 3.61Å; F514-I518 HydrophobicContact CE1-CG1 4.16Å; F514-I518 HydrophobicContact CZ-CD1 4.26Å; F514-I518 HydrophobicContact CZ-CG1 4.45Å; F514-I518 PolarHBondContact O-N 3Å; L515-I518 HydrophobicContact CD2-CD1 4.46Å; L515-I518 PolarHBondContact O-N 2.57Å; M516-I518 PolarHBondContact O-N 2.89Å; I518-L520 PolarHBondContact O-N 2.84Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 PolarHBondContact O-N 3.5Å; I518-L522 HydrophobicContact CG2-CD1 4.45Å; I518-L522 WeakPolarHBondContact O-CG 3.31Å; I518-L522 PolarHBondContact O-N 3.48Å; I518-L553 HydrophobicContact CB-CD1 4.36Å; I518-L553 HydrophobicContact CG2-CD1 3.75Å
519	Y	98.1	Very high	96	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-54.1	-51.8	175.6	157.6	-104.9	0	0	0	111.8	L515 M516 T521 L522 I523 A550 V625	L515-Y519 PolarHBondContact O-N 3Å; M516-Y519 WeakPolarHBondContact O-CB 3.42Å; M516-Y519 PolarHBondContact O-N 2.85Å; M516-Y519 HydrophobicContact SD-CD1 3.49Å; M516-Y519 WeakPolarHBondContact SD-CD1 3.39Å; M516-Y519 HydrophobicContact SD-CE1 4.07Å; M516-Y519 HydrophobicContact SD-CG 4.43Å; Y519-T521 VanDerWaalsContact C-N 3.27Å; Y519-T521 PolarHBondContact O-N 2.89Å; Y519-L522 WeakPolarHBondContact O-CB 3.17Å; Y519-L522 PolarHBondContact O-N 2.92Å; Y519-L522 VanDerWaalsContact O-N 3.09Å; Y519-I523 HydrophobicContact CD2-CG1 4.1Å; Y519-I523 HydrophobicContact CE2-CD1 3.9Å; Y519-I523 HydrophobicContact CE2-CG1 3.57Å; Y519-I523 PolarHBondContact O-N 3.29Å; Y519-A550 HydrophobicContact CD2-CB 3.99Å; Y519-A550 WeakPolarHBondContact CD2-O 3.48Å; Y519-A550 HydrophobicContact CE2-CB 4.33Å; Y519-V625 WeakPolarHBondContact CE2-O 3.35Å; Y519-V625 PolarHBondContact OH-O 2.99Å
520	L	97.3	Very high	96	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-37.2	179.3	-66	171.7	0	0	0	111.9	V473 M476 A477 M516 G517 I518 L522 I523 A524 P731	V473-L520 HydrophobicContact CG1-CB 4.32Å; V473-L520 WeakPolarHBondContact CG1-O 3.44Å; M476-L520 HydrophobicContact CB-CD1 4.02Å; A477-L520 HydrophobicContact CB-CB 3.72Å; M516-L520 HydrophobicContact CG-CD1 4.43Å; M516-L520 WeakPolarHBondContact O-CG 3.41Å; M516-L520 PolarHBondContact O-N 2.71Å; G517-L520 PolarHBondContact O-N 2.87Å; I518-L520 PolarHBondContact O-N 2.84Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.02Å; L520-I523 PolarHBondContact O-N 3.48Å; L520-A524 VanDerWaalsContact O-CB 3.32Å; L520-A524 WeakPolarHBondContact O-CB 3.34Å; L520-A524 PolarHBondContact O-N 3.27Å; L520-P731 HydrophobicContact CD1-CB 3.55Å; L520-P731 HydrophobicContact CD1-CG 4.23Å; L520-P731 HydrophobicContact CD2-CB 4.02Å; L520-P731 HydrophobicContact CD2-CG 4.02Å; L520-P731 HydrophobicContact CG-CB 4.22Å
521	T	97.6	Very high	95.8	Very high	45 Å²	45	31.7 Å²	31.7	28%	0.276	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-41.2	175.4	-53.5	0	0	0	0	111.1	G517 I518 Y519 A524 C525	G517-T521 WeakPolarHBondContact O-CB 3.15Å; G517-T521 PolarHBondContact O-N 3.04Å; G517-T521 PolarHBondContact O-OG1 3.27Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 PolarHBondContact O-N 3.5Å; Y519-T521 VanDerWaalsContact C-N 3.27Å; Y519-T521 PolarHBondContact O-N 2.89Å; T521-A524 PolarHBondContact O-N 3.49Å; T521-C525 WeakPolarHBondContact O-CB 3.42Å; T521-C525 PolarHBondContact O-N 2.77Å; T521-C525 PolarHBondContact O-SG 2.96Å
522	L	98	Very high	95.1	Very high	50 Å²	50	31.6 Å²	31.6	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-61.9	-45.2	175.5	-69.7	173	0	0	0	111.6	I518 Y519 L520 C525 A526 F549 A550 L553	I518-L522 HydrophobicContact CG2-CD1 4.45Å; I518-L522 WeakPolarHBondContact O-CG 3.31Å; I518-L522 PolarHBondContact O-N 3.48Å; Y519-L522 WeakPolarHBondContact O-CB 3.17Å; Y519-L522 PolarHBondContact O-N 2.92Å; Y519-L522 VanDerWaalsContact O-N 3.09Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.02Å; L522-C525 PolarHBondContact O-N 2.04Å; L522-A526 WeakPolarHBondContact O-CB 3.31Å; L522-A526 PolarHBondContact O-N 2.92Å; L522-F549 HydrophobicContact CD1-CD1 4.21Å; L522-F549 HydrophobicContact CD1-CE1 4.48Å; L522-A550 HydrophobicContact CD1-CB 4.17Å; L522-L553 HydrophobicContact CD1-CD1 3.96Å
523	I	96.3	Very high	94.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-42.1	176.5	-60.6	-52.7	0	0	0	111.1	L463 Y519 L520 C525 A526 D527 W541 A550 V625	L463-I523 HydrophobicContact CD2-CG2 3.87Å; Y519-I523 HydrophobicContact CD2-CG1 4.1Å; Y519-I523 HydrophobicContact CE2-CD1 3.9Å; Y519-I523 HydrophobicContact CE2-CG1 3.57Å; Y519-I523 PolarHBondContact O-N 3.29Å; L520-I523 PolarHBondContact O-N 3.48Å; I523-C525 PolarHBondContact O-N 3.23Å; I523-A526 PolarHBondContact O-N 3.22Å; I523-D527 PolarHBondContact O-N 3.02Å; I523-W541 HydrophobicContact CD1-CZ2 4.07Å; I523-A550 HydrophobicContact CD1-CB 4.45Å; I523-V625 HydrophobicContact CG2-CG1 4.19Å
524	A	96.2	Very high	94.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-41.4	178.1	0	0	0	0	0	112.4	V473 W474 L520 T521 I528	V473-A524 HydrophobicContact CG1-CB 3.67Å; W474-A524 HydrophobicContact CD2-CB 3.84Å; W474-A524 VanDerWaalsContact CE2-CB 3.4Å; W474-A524 HydrophobicContact CE3-CB 4.34Å; W474-A524 HydrophobicContact CG-CB 4.3Å; W474-A524 HydrophobicContact CH2-CB 4.09Å; W474-A524 HydrophobicContact CZ2-CB 3.53Å; W474-A524 HydrophobicContact CZ3-CB 4.46Å; L520-A524 VanDerWaalsContact O-CB 3.32Å; L520-A524 WeakPolarHBondContact O-CB 3.34Å; L520-A524 PolarHBondContact O-N 3.27Å; T521-A524 PolarHBondContact O-N 3.49Å; A524-I528 PolarHBondContact O-N 3.31Å
525	C	96.3	Very high	93.7	Very high	56 Å²	56	33.5 Å²	33.5	38%	0.378	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-41.2	174.6	-71	0	0	0	0	111.3	T521 L522 I523 I528 S529	T521-C525 WeakPolarHBondContact O-CB 3.42Å; T521-C525 PolarHBondContact O-N 2.77Å; T521-C525 PolarHBondContact O-SG 2.96Å; L522-C525 PolarHBondContact O-N 2.04Å; I523-C525 PolarHBondContact O-N 3.23Å; C525-I528 PolarHBondContact O-N 3.28Å; C525-S529 WeakPolarHBondContact O-CB 3.13Å; C525-S529 PolarHBondContact O-N 3.24Å; C525-S529 PolarHBondContact O-OG 3.18Å
526	A	95.3	Very high	93.1	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-42.5	177.1	0	0	0	0	0	111.5	L463 L522 I523 I528 S529 F530 W541	L463-A526 HydrophobicContact CD1-CB 4.04Å; L522-A526 WeakPolarHBondContact O-CB 3.31Å; L522-A526 PolarHBondContact O-N 2.92Å; I523-A526 PolarHBondContact O-N 3.22Å; A526-I528 VanDerWaalsContact C-N 3.31Å; A526-I528 PolarHBondContact O-N 2.75Å; A526-S529 PolarHBondContact O-N 3.4Å; A526-S529 VanDerWaalsContact O-N 3.13Å; A526-F530 HydrophobicContact CB-CD2 4.24Å; A526-F530 HydrophobicContact CB-CE2 4.04Å; A526-F530 WeakPolarHBondContact O-CD2 3.47Å; A526-F530 PolarHBondContact O-N 2.99Å; A526-W541 HydrophobicContact CB-CD2 4.46Å; A526-W541 HydrophobicContact CB-CE3 4.4Å; A526-W541 HydrophobicContact CB-CH2 3.54Å; A526-W541 HydrophobicContact CB-CZ2 3.62Å; A526-W541 HydrophobicContact CB-CZ3 3.96Å
527	D	94.9	Very high	92.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-42.1	173.8	175	84.2	0	0	0	112.4	L463 L464 R470 I523 R531	L463-D527 HydrophobicContact CB-CB 4.37Å; L464-D527 WeakPolarHBondContact CB-OD1 3.36Å; L464-D527 HydrophobicContact CD1-CB 4.43Å; L464-D527 HydrophobicContact CG-CB 4.47Å; L464-D527 PolarHBondContact N-OD1 3.47Å; L464-D527 VanDerWaalsContact N-OD1 3.07Å; R470-D527 VanDerWaalsContact CD-OD2 3.29Å; R470-D527 WeakPolarHBondContact CD-OD2 3.02Å; R470-D527 VanDerWaalsContact CG-OD2 3.28Å; R470-D527 WeakPolarHBondContact CG-OD2 3.49Å; R470-D527 IonicContact NE-OD1 3.79Å; R470-D527 IonicContact NE-OD2 3.75Å; R470-D527 PolarHBondContact NE-OD2 2.79Å; I523-D527 PolarHBondContact O-N 3.02Å; D527-R531 WeakPolarHBondContact O-CB 3.49Å; D527-R531 PolarHBondContact O-N 3.4Å; D527-R531 IonicContact OD2-CZ 2.92Å; D527-R531 IonicContact OD2-NE 3.8Å; D527-R531 IonicContact OD2-NH2 3.82Å; D527-R531 PolarHBondContact OD2-NH2 3.37Å
528	I	93.1	Very high	92.3	Very high	88 Å²	88	41.6 Å²	41.6	45%	0.451	22%	0.216	S	C	.	.	H	α-helix	trans	-67	-44	174.6	-67.5	177.6	0	0	0	111.1	W474 A524 C525 A526 F530 R531	W474-I528 HydrophobicContact CZ2-CD1 3.53Å; A524-I528 PolarHBondContact O-N 3.31Å; C525-I528 PolarHBondContact O-N 3.28Å; A526-I528 VanDerWaalsContact C-N 3.31Å; A526-I528 PolarHBondContact O-N 2.75Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 3.18Å; I528-R531 WeakPolarHBondContact O-CB 3.38Å; I528-R531 PolarHBondContact O-N 2.67Å
529	S	92.8	Very high	91.8	Very high	86 Å²	86	44 Å²	44	60%	0.601	23%	0.226	S	C	*	.	H	α-helix	trans	-65	-34.8	-173.2	-56.9	0	0	0	0	112.6	C525 A526	C525-S529 WeakPolarHBondContact O-CB 3.13Å; C525-S529 PolarHBondContact O-N 3.24Å; C525-S529 PolarHBondContact O-OG 3.18Å; A526-S529 PolarHBondContact O-N 3.4Å; A526-S529 VanDerWaalsContact O-N 3.13Å
530	F	91.8	Very high	91.4	Very high	37 Å²	37	48 Å²	48	16%	0.162	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13.3	-177.3	-51.8	-51.5	0	0	0	113.1	A526 I528 G532 E533 Y534 Y537 W541	A526-F530 HydrophobicContact CB-CD2 4.24Å; A526-F530 HydrophobicContact CB-CE2 4.04Å; A526-F530 WeakPolarHBondContact O-CD2 3.47Å; A526-F530 PolarHBondContact O-N 2.99Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 3.18Å; F530-G532 PolarHBondContact O-N 3.14Å; F530-E533 CarbonylContact O-C 3.56Å; F530-E533 PolarHBondContact O-N 3.42Å; F530-Y534 HydrophobicContact CB-CD2 3.92Å; F530-Y534 HydrophobicContact CD2-CD2 4.38Å; F530-Y534 HydrophobicContact CG-CD2 4.44Å; F530-Y534 WeakPolarHBondContact O-CA 3.47Å; F530-Y534 PolarHBondContact O-N 3.31Å; F530-Y537 HydrophobicContact CD1-CD1 4.32Å; F530-Y537 AromaticContact CD1-CD2 3.82Å; F530-Y537 HydrophobicContact CD1-CD2 3.82Å; F530-Y537 AromaticContact CD1-CG 3.63Å; F530-Y537 HydrophobicContact CD1-CG 3.63Å; F530-Y537 HydrophobicContact CE1-CD1 4.26Å; F530-Y537 AromaticContact CE1-CG 3.96Å; F530-Y537 HydrophobicContact CE1-CG 3.96Å; F530-W541 HydrophobicContact CD2-CG 4.45Å; F530-W541 HydrophobicContact CE2-CB 3.91Å; F530-W541 AromaticContact CE2-CD2 3.68Å; F530-W541 HydrophobicContact CE2-CD2 3.68Å; F530-W541 AromaticContact CE2-CE3 3.6Å; F530-W541 HydrophobicContact CE2-CE3 3.6Å; F530-W541 AromaticContact CE2-CG 3.82Å; F530-W541 HydrophobicContact CE2-CG 3.82Å; F530-W541 HydrophobicContact CE2-CZ3 4.36Å; F530-W541 HydrophobicContact CZ-CB 4.22Å; F530-W541 HydrophobicContact CZ-CD2 4.42Å; F530-W541 HydrophobicContact CZ-CE3 4.02Å
531	R	88.9	Confident	91.3	Very high	110 Å²	110	48.5 Å²	48.5	42%	0.415	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	132.7	-176.6	-169	173.2	-68.4	173.9	3.2	111	L461 H462 D527 I528 E533	L461-R531 CarbonylContact O-C 3.23Å; H462-R531 WeakPolarHBondContact ND1-CG 3.3Å; D527-R531 WeakPolarHBondContact O-CB 3.49Å; D527-R531 PolarHBondContact O-N 3.4Å; D527-R531 IonicContact OD2-CZ 2.92Å; D527-R531 IonicContact OD2-NE 3.8Å; D527-R531 IonicContact OD2-NH2 3.82Å; D527-R531 PolarHBondContact OD2-NH2 3.37Å; I528-R531 WeakPolarHBondContact O-CB 3.38Å; I528-R531 PolarHBondContact O-N 2.67Å; R531-E533 PolarHBondContact O-N 3.32Å
532	G	83.1	Confident	91	Very high	29 Å²	29	47.9 Å²	47.9	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-16.6	-179.9	0	0	0	0	0	113.3	L461 H462 F530	L461-G532 WeakPolarHBondContact CD2-O 3.14Å; L461-G532 CarbonylContact O-C 3.32Å; L461-G532 WeakPolarHBondContact O-CA 3.29Å; L461-G532 PolarHBondContact O-N 2.93Å; H462-G532 PolarHBondContact ND1-N 3.03Å; F530-G532 PolarHBondContact O-N 3.14Å
533	E	84.7	Confident	90.7	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	25%	0.25	S	C	.	.			trans	-144.3	26.7	-174.3	-62.7	-162.2	121.2	0	0	113.4	L461 F530 R531 I535 K536 Y537	L461-E533 PolarHBondContact O-N 3.03Å; F530-E533 CarbonylContact O-C 3.56Å; F530-E533 PolarHBondContact O-N 3.42Å; R531-E533 PolarHBondContact O-N 3.32Å; E533-I535 VanDerWaalsContact C-N 3.3Å; E533-I535 PolarHBondContact O-N 3.15Å; E533-I535 VanDerWaalsContact O-N 3.15Å; E533-K536 HydrophobicContact CB-CD 4.26Å; E533-K536 WeakPolarHBondContact O-CB 3.42Å; E533-K536 PolarHBondContact O-N 3.19Å; E533-K536 IonicContact OE1-NZ 3.59Å; E533-K536 PolarHBondContact OE1-NZ 3.3Å; E533-Y537 HydrophobicContact CB-CE2 4.23Å; E533-Y537 WeakPolarHBondContact O-CD2 3.32Å
534	Y	88.6	Confident	90.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-52.2	-42.6	-172.2	177.3	-112.3	0	0	0	114.2	F438 S458 S459 K460 L461 L463 F530 K536 Y537 E538 G624	F438-Y534 HydrophobicContact CE1-CE1 4.47Å; S458-Y534 VanDerWaalsContact CB-CE1 3.46Å; S459-Y534 WeakPolarHBondContact O-CD1 3.39Å; K460-Y534 PolarHBondContact O-N 3.33Å; L461-Y534 PolarHBondContact O-N 3.02Å; L463-Y534 HydrophobicContact CB-CD2 3.83Å; L463-Y534 HydrophobicContact CB-CE2 3.87Å; L463-Y534 HydrophobicContact CB-CG 4.33Å; L463-Y534 HydrophobicContact CD1-CD2 4.38Å; L463-Y534 HydrophobicContact CD1-CE2 3.75Å; L463-Y534 HydrophobicContact CG-CD2 4.41Å; L463-Y534 HydrophobicContact CG-CE2 3.92Å; F530-Y534 HydrophobicContact CB-CD2 3.92Å; F530-Y534 HydrophobicContact CD2-CD2 4.38Å; F530-Y534 HydrophobicContact CG-CD2 4.44Å; F530-Y534 WeakPolarHBondContact O-CA 3.47Å; F530-Y534 PolarHBondContact O-N 3.31Å; Y534-K536 PolarHBondContact O-N 2.98Å; Y534-K536 VanDerWaalsContact O-N 3.1Å; Y534-Y537 CarbonylContact O-C 3.56Å; Y534-Y537 PolarHBondContact O-N 2.74Å; Y534-E538 HydrophobicContact CD1-CB 4.35Å; Y534-E538 HydrophobicContact CD1-CG 4.42Å; Y534-E538 HydrophobicContact CE1-CB 3.93Å; Y534-E538 HydrophobicContact CE1-CG 3.59Å; Y534-E538 HydrophobicContact CE2-CB 4.4Å; Y534-E538 PolarHBondContact O-N 3.12Å; Y534-G624 WeakPolarHBondContact OH-CA 3.25Å
535	I	86.2	Confident	90.6	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-28.6	-177.6	-165.8	60.5	0	0	0	113.3	F438 M445 K460 E533 Y537	F438-I535 HydrophobicContact CE1-CD1 4.05Å; F438-I535 HydrophobicContact CE2-CD1 4.27Å; F438-I535 HydrophobicContact CZ-CD1 3.83Å; M445-I535 HydrophobicContact SD-CG2 4.4Å; K460-I535 HydrophobicContact CB-CB 4.34Å; K460-I535 HydrophobicContact CB-CG2 4.37Å; K460-I535 WeakPolarHBondContact O-CB 3.39Å; K460-I535 WeakPolarHBondContact O-CG2 3.16Å; K460-I535 PolarHBondContact O-N 3.12Å; E533-I535 VanDerWaalsContact C-N 3.3Å; E533-I535 PolarHBondContact O-N 3.15Å; E533-I535 VanDerWaalsContact O-N 3.15Å; I535-Y537 VanDerWaalsContact C-N 3.3Å
536	K	83.6	Confident	90.6	Very high	100 Å²	100	54.2 Å²	54.2	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-71.9	-27.8	177.4	-62.2	-176.9	-177.2	173.5	0	112.2	M445 E533 Y534	M445-K536 HydrophobicContact SD-CG 4Å; E533-K536 HydrophobicContact CB-CD 4.26Å; E533-K536 WeakPolarHBondContact O-CB 3.42Å; E533-K536 PolarHBondContact O-N 3.19Å; E533-K536 IonicContact OE1-NZ 3.59Å; E533-K536 PolarHBondContact OE1-NZ 3.3Å; Y534-K536 PolarHBondContact O-N 2.98Å; Y534-K536 VanDerWaalsContact O-N 3.1Å
537	Y	89.1	Confident	90.7	Very high	99 Å²	99	54 Å²	54	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-107.7	-9	-176.6	-60.8	-75.4	0	0	0	113.2	F530 E533 Y534 I535 E539 T540 W541	F530-Y537 HydrophobicContact CD1-CD1 4.32Å; F530-Y537 AromaticContact CD1-CD2 3.82Å; F530-Y537 HydrophobicContact CD1-CD2 3.82Å; F530-Y537 AromaticContact CD1-CG 3.63Å; F530-Y537 HydrophobicContact CD1-CG 3.63Å; F530-Y537 HydrophobicContact CE1-CD1 4.26Å; F530-Y537 AromaticContact CE1-CG 3.96Å; F530-Y537 HydrophobicContact CE1-CG 3.96Å; E533-Y537 HydrophobicContact CB-CE2 4.23Å; E533-Y537 WeakPolarHBondContact O-CD2 3.32Å; Y534-Y537 CarbonylContact O-C 3.56Å; Y534-Y537 PolarHBondContact O-N 2.74Å; I535-Y537 VanDerWaalsContact C-N 3.3Å; Y537-E539 PolarHBondContact O-N 3.35Å; Y537-T540 WeakPolarHBondContact CA-OG1 3.15Å; Y537-T540 CarbonylContact O-C 3.03Å; Y537-T540 PolarHBondContact O-N 2.84Å; Y537-T540 VanDerWaalsContact O-N 3.14Å; Y537-T540 PolarHBondContact O-OG1 3.11Å; Y537-W541 VanDerWaalsContact O-CB 3.31Å; Y537-W541 WeakPolarHBondContact O-CB 3.03Å; Y537-W541 PolarHBondContact O-N 3.14Å
538	E	89.1	Confident	90.8	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.028	30%	0.301	C	S	.	.	H	α-helix	trans	-51.2	-51.8	-172.6	-175.3	-88.5	176.5	0	0	112.4	H439 Y534 W541 R542	H439-E538 VanDerWaalsContact CB-OE2 3.31Å; H439-E538 WeakPolarHBondContact CB-OE2 3.43Å; Y534-E538 HydrophobicContact CD1-CB 4.35Å; Y534-E538 HydrophobicContact CD1-CG 4.42Å; Y534-E538 HydrophobicContact CE1-CB 3.93Å; Y534-E538 HydrophobicContact CE1-CG 3.59Å; Y534-E538 HydrophobicContact CE2-CB 4.4Å; Y534-E538 PolarHBondContact O-N 3.12Å; E538-W541 PolarHBondContact O-N 2.96Å; E538-R542 WeakPolarHBondContact O-CB 3.23Å; E538-R542 WeakPolarHBondContact O-CG 3.33Å; E538-R542 PolarHBondContact O-N 3.25Å; E538-R542 WeakPolarHBondContact OE1-CD 3.48Å; E538-R542 IonicContact OE1-CZ 3.77Å; E538-R542 IonicContact OE1-NE 3.79Å; E538-R542 IonicContact OE1-NH1 3.23Å; E538-R542 PolarHBondContact OE1-NH1 2.6Å
539	E	86.8	Confident	91	Very high	106 Å²	106	56.1 Å²	56.1	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-48.2	-179.6	-174	-178.5	174.8	0	0	110.5	Y537 W541 R542 H543	Y537-E539 PolarHBondContact O-N 3.35Å; E539-W541 VanDerWaalsContact C-N 3.27Å; E539-W541 PolarHBondContact O-N 3.42Å; E539-R542 PolarHBondContact O-N 3.19Å; E539-H543 VanDerWaalsContact CG-CD2 3.5Å; E539-H543 WeakPolarHBondContact CG-CD2 3.24Å; E539-H543 VanDerWaalsContact O-CB 3.25Å; E539-H543 WeakPolarHBondContact O-CB 3.35Å; E539-H543 PolarHBondContact O-N 2.9Å
540	T	90.4	Very high	91.2	Very high	89 Å²	89	52 Å²	52	55%	0.546	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-35.9	179.4	63.8	0	0	0	0	112.3	Y537 S544	Y537-T540 WeakPolarHBondContact CA-OG1 3.15Å; Y537-T540 CarbonylContact O-C 3.03Å; Y537-T540 PolarHBondContact O-N 2.84Å; Y537-T540 VanDerWaalsContact O-N 3.14Å; Y537-T540 PolarHBondContact O-OG1 3.11Å; T540-S544 VanDerWaalsContact O-CB 3.28Å; T540-S544 WeakPolarHBondContact O-CB 3.49Å; T540-S544 PolarHBondContact O-N 2.94Å; T540-S544 VanDerWaalsContact O-N 3.14Å
541	W	93.6	Very high	91.5	Very high	16 Å²	16	50.2 Å²	50.2	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-70.7	-54.7	177.5	166.5	-113	0	0	0	110.9	I523 A526 F530 Y537 E538 E539 H543 S544 V546 C547 G624	I523-W541 HydrophobicContact CD1-CZ2 4.07Å; A526-W541 HydrophobicContact CB-CD2 4.46Å; A526-W541 HydrophobicContact CB-CE3 4.4Å; A526-W541 HydrophobicContact CB-CH2 3.54Å; A526-W541 HydrophobicContact CB-CZ2 3.62Å; A526-W541 HydrophobicContact CB-CZ3 3.96Å; F530-W541 HydrophobicContact CD2-CG 4.45Å; F530-W541 HydrophobicContact CE2-CB 3.91Å; F530-W541 AromaticContact CE2-CD2 3.68Å; F530-W541 HydrophobicContact CE2-CD2 3.68Å; F530-W541 AromaticContact CE2-CE3 3.6Å; F530-W541 HydrophobicContact CE2-CE3 3.6Å; F530-W541 AromaticContact CE2-CG 3.82Å; F530-W541 HydrophobicContact CE2-CG 3.82Å; F530-W541 HydrophobicContact CE2-CZ3 4.36Å; F530-W541 HydrophobicContact CZ-CB 4.22Å; F530-W541 HydrophobicContact CZ-CD2 4.42Å; F530-W541 HydrophobicContact CZ-CE3 4.02Å; Y537-W541 VanDerWaalsContact O-CB 3.31Å; Y537-W541 WeakPolarHBondContact O-CB 3.03Å; Y537-W541 PolarHBondContact O-N 3.14Å; E538-W541 PolarHBondContact O-N 2.96Å; E539-W541 VanDerWaalsContact C-N 3.27Å; E539-W541 PolarHBondContact O-N 3.42Å; W541-H543 PolarHBondContact O-N 3.3Å; W541-S544 VanDerWaalsContact O-CB 3.26Å; W541-S544 WeakPolarHBondContact O-CB 3.2Å; W541-S544 PolarHBondContact O-N 3.23Å; W541-S544 PolarHBondContact O-OG 2.86Å; W541-V546 HydrophobicContact CH2-CG1 4.06Å; W541-V546 HydrophobicContact CZ3-CB 4.08Å; W541-V546 HydrophobicContact CZ3-CG1 3.77Å; W541-C547 HydrophobicContact CD2-CB 4.39Å; W541-C547 HydrophobicContact CZ2-CB 4.34Å; W541-C547 WeakPolarHBondContact O-CB 3.31Å; W541-G624 PolarHBondContact NE1-O 3.47Å
542	R	91.7	Very high	91.9	Very high	32 Å²	32	45.8 Å²	45.8	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-29.9	-177.2	-74.6	174.4	63.9	171.4	-5.9	112.8	E538 E539 G621 N622	E538-R542 WeakPolarHBondContact O-CB 3.23Å; E538-R542 WeakPolarHBondContact O-CG 3.33Å; E538-R542 PolarHBondContact O-N 3.25Å; E538-R542 WeakPolarHBondContact OE1-CD 3.48Å; E538-R542 IonicContact OE1-CZ 3.77Å; E538-R542 IonicContact OE1-NE 3.79Å; E538-R542 IonicContact OE1-NH1 3.23Å; E538-R542 PolarHBondContact OE1-NH1 2.6Å; E539-R542 PolarHBondContact O-N 3.19Å; R542-G621 VanDerWaalsContact CZ-O 3.25Å; R542-G621 PolarHBondContact NE-O 3.38Å; R542-G621 PolarHBondContact NH2-O 2.78Å; R542-G621 VanDerWaalsContact O-CA 3.31Å; R542-G621 WeakPolarHBondContact O-CA 3.29Å; R542-N622 PolarHBondContact NH2-O 3.15Å
543	H	91.7	Very high	92.6	Very high	78 Å²	78	44.8 Å²	44.8	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.1	176.3	-61.4	-19.2	0	0	0	113.2	E539 W541 H618	E539-H543 VanDerWaalsContact CG-CD2 3.5Å; E539-H543 WeakPolarHBondContact CG-CD2 3.24Å; E539-H543 VanDerWaalsContact O-CB 3.25Å; E539-H543 WeakPolarHBondContact O-CB 3.35Å; E539-H543 PolarHBondContact O-N 2.9Å; W541-H543 PolarHBondContact O-N 3.3Å; H543-H618 AromaticContact CD2-CE1 3.99Å; H543-H618 AromaticContact CD2-ND1 3.95Å; H543-H618 AromaticContact CE1-CG 3.87Å; H543-H618 AromaticContact CE1-ND1 3.36Å; H543-H618 PolarHBondContact CE1-ND1 2.02Å; H543-H618 AromaticContact CG-CE1 3.43Å; H543-H618 VanDerWaalsContact CG-CE1 3.43Å; H543-H618 AromaticContact CG-CG 3.84Å; H543-H618 AromaticContact CG-ND1 3.38Å; H543-H618 AromaticContact CG-NE2 3.94Å; H543-H618 AromaticContact ND1-CD2 3.88Å; H543-H618 AromaticContact ND1-CE1 3.55Å; H543-H618 AromaticContact ND1-CG 3.19Å; H543-H618 AromaticContact ND1-ND1 2.97Å; H543-H618 PolarHBondContact ND1-ND1 3.49Å; H543-H618 AromaticContact NE2-ND1 3.9Å
544	S	95.3	Very high	93.2	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	22%	0.219	C	C	.	.	S	Bend	trans	-74	151.7	177	74.3	0	0	0	0	112.9	T540 W541 V546 C547 A548	T540-S544 VanDerWaalsContact O-CB 3.28Å; T540-S544 WeakPolarHBondContact O-CB 3.49Å; T540-S544 PolarHBondContact O-N 2.94Å; T540-S544 VanDerWaalsContact O-N 3.14Å; W541-S544 VanDerWaalsContact O-CB 3.26Å; W541-S544 WeakPolarHBondContact O-CB 3.2Å; W541-S544 PolarHBondContact O-N 3.23Å; W541-S544 PolarHBondContact O-OG 2.86Å; S544-V546 PolarHBondContact O-N 3.32Å; S544-V546 PolarHBondContact OG-N 3.37Å; S544-C547 PolarHBondContact O-N 3.46Å; S544-C547 PolarHBondContact OG-N 3.44Å; S544-A548 PolarHBondContact O-N 2.87Å; S544-A548 VanDerWaalsContact O-N 3.15Å
545	G	95.2	Very high	93.5	Very high	61 Å²	61	41.1 Å²	41.1	63%	0.629	22%	0.219	S	C	*	.	H	α-helix	trans	-61.8	-24.7	168.2	0	0	0	0	0	113.4	F549	G545-F549 VanDerWaalsContact O-CB 3.3Å; G545-F549 WeakPolarHBondContact O-CB 3.5Å; G545-F549 PolarHBondContact O-N 3.44Å
546	V	97	Very high	94.1	Very high	76 Å²	76	41.5 Å²	41.5	46%	0.461	22%	0.22	S	C	.	.	H	α-helix	trans	-70	-44.9	177.3	-178.1	0	0	0	0	110.6	W541 S544 F549 A550	W541-V546 HydrophobicContact CH2-CG1 4.06Å; W541-V546 HydrophobicContact CZ3-CB 4.08Å; W541-V546 HydrophobicContact CZ3-CG1 3.77Å; S544-V546 PolarHBondContact O-N 3.32Å; S544-V546 PolarHBondContact OG-N 3.37Å; V546-F549 PolarHBondContact O-N 3.11Å; V546-A550 WeakPolarHBondContact O-CB 3.33Å; V546-A550 PolarHBondContact O-N 3.33Å
547	C	96.3	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-44	174.1	178.1	0	0	0	0	111.4	W541 S544 F549 A550 G551 C626	W541-C547 HydrophobicContact CD2-CB 4.39Å; W541-C547 HydrophobicContact CZ2-CB 4.34Å; W541-C547 WeakPolarHBondContact O-CB 3.31Å; S544-C547 PolarHBondContact O-N 3.46Å; S544-C547 PolarHBondContact OG-N 3.44Å; C547-F549 VanDerWaalsContact C-N 3.3Å; C547-F549 PolarHBondContact O-N 3.05Å; C547-A550 WeakPolarHBondContact O-CB 3.45Å; C547-A550 PolarHBondContact O-N 3.12Å; C547-G551 PolarHBondContact O-N 3.48Å; C547-C626 WeakPolarHBondContact CA-SG 3.46Å; C547-C626 HydrophobicContact CB-CB 4.21Å; C547-C626 WeakPolarHBondContact CB-SG 3.45Å; C547-C626 VanDerWaalsContact O-CB 3.3Å; C547-C626 WeakPolarHBondContact O-CB 3.34Å; C547-C626 WeakPolarHBondContact SG-CB 3.13Å; C547-C626 CovalentContact SG-SG 2.03Å; C547-C626 PolarHBondContact SG-SG 2.66Å
548	A	97.2	Very high	95	Very high	27 Å²	27	32.4 Å²	32.4	22%	0.223	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-40.9	175	0	0	0	0	0	112.4	S544 F552 L609	S544-A548 PolarHBondContact O-N 2.87Å; S544-A548 VanDerWaalsContact O-N 3.15Å; A548-F552 WeakPolarHBondContact O-CB 3.28Å; A548-F552 PolarHBondContact O-N 3.28Å; A548-L609 HydrophobicContact CB-CD2 3.89Å
549	F	97.8	Very high	95.2	Very high	106 Å²	106	32.1 Å²	32.1	47%	0.465	18%	0.182	S	C	.	.	H	α-helix	trans	-68.4	-39.4	175.4	-178.5	-112.9	0	0	0	112.7	L522 G545 V546 C547 F552 L553	L522-F549 HydrophobicContact CD1-CD1 4.21Å; L522-F549 HydrophobicContact CD1-CE1 4.48Å; G545-F549 VanDerWaalsContact O-CB 3.3Å; G545-F549 WeakPolarHBondContact O-CB 3.5Å; G545-F549 PolarHBondContact O-N 3.44Å; V546-F549 PolarHBondContact O-N 3.11Å; C547-F549 VanDerWaalsContact C-N 3.3Å; C547-F549 PolarHBondContact O-N 3.05Å; F549-F552 HydrophobicContact CD2-CD1 4.19Å; F549-F552 HydrophobicContact CE2-CD1 4.21Å; F549-F552 WeakPolarHBondContact O-CB 3.47Å; F549-F552 PolarHBondContact O-N 2.64Å; F549-L553 HydrophobicContact CD1-CD1 4.01Å; F549-L553 HydrophobicContact CD1-CG 4.42Å; F549-L553 HydrophobicContact CE1-CD1 3.53Å; F549-L553 HydrophobicContact CE1-CG 4.04Å; F549-L553 HydrophobicContact CE2-CD2 4.33Å; F549-L553 HydrophobicContact CE2-CG 4.28Å; F549-L553 HydrophobicContact CZ-CD1 3.88Å; F549-L553 HydrophobicContact CZ-CD2 4Å; F549-L553 HydrophobicContact CZ-CG 3.96Å; F549-L553 WeakPolarHBondContact O-CG 3.3Å; F549-L553 PolarHBondContact O-N 3.01Å
550	A	97.9	Very high	95.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-47.6	174.2	0	0	0	0	0	110.9	Y519 L522 I523 V546 C547 F552 L553 S554 C626	Y519-A550 HydrophobicContact CD2-CB 3.99Å; Y519-A550 WeakPolarHBondContact CD2-O 3.48Å; Y519-A550 HydrophobicContact CE2-CB 4.33Å; L522-A550 HydrophobicContact CD1-CB 4.17Å; I523-A550 HydrophobicContact CD1-CB 4.45Å; V546-A550 WeakPolarHBondContact O-CB 3.33Å; V546-A550 PolarHBondContact O-N 3.33Å; C547-A550 WeakPolarHBondContact O-CB 3.45Å; C547-A550 PolarHBondContact O-N 3.12Å; A550-F552 PolarHBondContact O-N 2.8Å; A550-L553 PolarHBondContact O-N 2.7Å; A550-S554 PolarHBondContact O-N 2.97Å; A550-C626 HydrophobicContact CB-CB 4.35Å
551	G	96.6	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.2	0	0	0	0	0	113	C547 L553 S554 T555 Y620 C626	C547-G551 PolarHBondContact O-N 3.48Å; G551-L553 PolarHBondContact O-N 3.26Å; G551-S554 PolarHBondContact O-N 2.8Å; G551-T555 PolarHBondContact O-N 3.46Å; G551-T555 PolarHBondContact O-OG1 2.78Å; G551-Y620 VanDerWaalsContact CA-CD1 3.45Å; G551-Y620 WeakPolarHBondContact O-CE1 3.25Å; G551-C626 WeakPolarHBondContact CA-O 3.3Å
552	F	97.9	Very high	95.7	Very high	16 Å²	16	22.4 Å²	22.4	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-48.7	171.4	166.2	-90.3	0	0	0	112	A548 F549 A550 S554 T555 F556 F602 A605 A606 L609 Y620	A548-F552 WeakPolarHBondContact O-CB 3.28Å; A548-F552 PolarHBondContact O-N 3.28Å; F549-F552 HydrophobicContact CD2-CD1 4.19Å; F549-F552 HydrophobicContact CE2-CD1 4.21Å; F549-F552 WeakPolarHBondContact O-CB 3.47Å; F549-F552 PolarHBondContact O-N 2.64Å; A550-F552 PolarHBondContact O-N 2.8Å; F552-S554 PolarHBondContact O-N 3.3Å; F552-T555 PolarHBondContact O-N 2.73Å; F552-F556 HydrophobicContact CE1-CB 4.41Å; F552-F556 AromaticContact CE1-CD1 3.98Å; F552-F556 HydrophobicContact CE1-CD1 3.98Å; F552-F556 HydrophobicContact CE1-CG 4.48Å; F552-F556 HydrophobicContact CZ-CB 4.29Å; F552-F556 AromaticContact CZ-CD1 3.93Å; F552-F556 HydrophobicContact CZ-CD1 3.93Å; F552-F556 HydrophobicContact CZ-CE1 4.39Å; F552-F556 HydrophobicContact CZ-CG 4.18Å; F552-F556 WeakPolarHBondContact O-CB 3.12Å; F552-F556 PolarHBondContact O-N 2.05Å; F552-F602 HydrophobicContact CE2-CD2 4.03Å; F552-F602 AromaticContact CE2-CE2 3.98Å; F552-F602 HydrophobicContact CE2-CE2 3.98Å; F552-F602 AromaticContact CZ-CD2 3.57Å; F552-F602 HydrophobicContact CZ-CD2 3.57Å; F552-F602 AromaticContact CZ-CE2 3.52Å; F552-F602 HydrophobicContact CZ-CE2 3.52Å; F552-F602 HydrophobicContact CZ-CZ 4.45Å; F552-A605 HydrophobicContact CD2-CB 3.6Å; F552-A605 HydrophobicContact CE2-CB 3.62Å; F552-A605 HydrophobicContact CG-CB 4.45Å; F552-A605 HydrophobicContact CZ-CB 4.49Å; F552-A606 HydrophobicContact CD2-CB 4.39Å; F552-A606 HydrophobicContact CE2-CB 4.03Å; F552-L609 HydrophobicContact CB-CD1 4.14Å; F552-L609 HydrophobicContact CD2-CD1 4.03Å; F552-L609 HydrophobicContact CG-CD1 4.28Å; F552-Y620 HydrophobicContact CB-CE2 4.42Å
553	L	98.3	Very high	95.9	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-44.8	179.4	-74.7	177.5	0	0	0	111.9	L515 I518 L522 F549 A550 G551 F556 S557	L515-L553 HydrophobicContact CD2-CD2 4.12Å; I518-L553 HydrophobicContact CB-CD1 4.36Å; I518-L553 HydrophobicContact CG2-CD1 3.75Å; L522-L553 HydrophobicContact CD1-CD1 3.96Å; F549-L553 HydrophobicContact CD1-CD1 4.01Å; F549-L553 HydrophobicContact CD1-CG 4.42Å; F549-L553 HydrophobicContact CE1-CD1 3.53Å; F549-L553 HydrophobicContact CE1-CG 4.04Å; F549-L553 HydrophobicContact CE2-CD2 4.33Å; F549-L553 HydrophobicContact CE2-CG 4.28Å; F549-L553 HydrophobicContact CZ-CD1 3.88Å; F549-L553 HydrophobicContact CZ-CD2 4Å; F549-L553 HydrophobicContact CZ-CG 3.96Å; F549-L553 WeakPolarHBondContact O-CG 3.3Å; F549-L553 PolarHBondContact O-N 3.01Å; A550-L553 PolarHBondContact O-N 2.7Å; G551-L553 PolarHBondContact O-N 3.26Å; L553-F556 PolarHBondContact O-N 3.08Å; L553-S557 VanDerWaalsContact O-CB 3.24Å; L553-S557 WeakPolarHBondContact O-CB 3.43Å; L553-S557 PolarHBondContact O-N 3.27Å
554	S	96.3	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-51.2	178.1	-177.6	0	0	0	0	111.2	A550 G551 F552 F556 S557 C558 L627	A550-S554 PolarHBondContact O-N 2.97Å; G551-S554 PolarHBondContact O-N 2.8Å; F552-S554 PolarHBondContact O-N 3.3Å; S554-F556 PolarHBondContact O-N 2.94Å; S554-S557 PolarHBondContact O-N 3.47Å; S554-C558 WeakPolarHBondContact O-CB 3.07Å; S554-C558 PolarHBondContact O-N 3.29Å; S554-C558 PolarHBondContact O-SG 3.22Å; S554-L627 WeakPolarHBondContact OG-CD1 3.34Å
555	T	96.2	Very high	95.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-42	179.5	-61.7	0	0	0	0	112	G551 F552 S557 C558 Q559 A605 Y620 S628 L645 F646	G551-T555 PolarHBondContact O-N 3.46Å; G551-T555 PolarHBondContact O-OG1 2.78Å; F552-T555 PolarHBondContact O-N 2.73Å; T555-S557 VanDerWaalsContact C-N 3.34Å; T555-S557 PolarHBondContact O-N 3.07Å; T555-C558 PolarHBondContact O-N 2.88Å; T555-Q559 HydrophobicContact CG2-CG 4.08Å; T555-Q559 WeakPolarHBondContact O-CB 3.32Å; T555-Q559 VanDerWaalsContact O-CG 3.24Å; T555-Q559 WeakPolarHBondContact O-CG 3.26Å; T555-Q559 PolarHBondContact O-N 3.49Å; T555-A605 HydrophobicContact CG2-CB 4.07Å; T555-Y620 WeakPolarHBondContact OG1-CE1 3.15Å; T555-S628 PolarHBondContact OG1-OG 2.94Å; T555-L645 HydrophobicContact CG2-CD1 4.03Å; T555-F646 HydrophobicContact CG2-CZ 4.34Å
556	F	97.8	Very high	95.7	Very high	23 Å²	23	16.1 Å²	16.1	10%	0.101	9%	0.088	C	C	.	.	H	α-helix	trans	-62.9	-43.2	179.1	-176.8	-148.1	0	0	0	111.7	L515 F552 L553 S554 S560 W598 F602 A605	L515-F556 HydrophobicContact CD1-CD1 3.66Å; L515-F556 HydrophobicContact CD1-CE1 3.81Å; F552-F556 HydrophobicContact CE1-CB 4.41Å; F552-F556 AromaticContact CE1-CD1 3.98Å; F552-F556 HydrophobicContact CE1-CD1 3.98Å; F552-F556 HydrophobicContact CE1-CG 4.48Å; F552-F556 HydrophobicContact CZ-CB 4.29Å; F552-F556 AromaticContact CZ-CD1 3.93Å; F552-F556 HydrophobicContact CZ-CD1 3.93Å; F552-F556 HydrophobicContact CZ-CE1 4.39Å; F552-F556 HydrophobicContact CZ-CG 4.18Å; F552-F556 WeakPolarHBondContact O-CB 3.12Å; F552-F556 PolarHBondContact O-N 2.05Å; L553-F556 PolarHBondContact O-N 3.08Å; S554-F556 PolarHBondContact O-N 2.94Å; F556-S560 VanDerWaalsContact O-CB 3.23Å; F556-S560 WeakPolarHBondContact O-CB 3.49Å; F556-S560 PolarHBondContact O-N 3.28Å; F556-S560 PolarHBondContact O-OG 2.65Å; F556-W598 HydrophobicContact CD1-CZ3 4.48Å; F556-W598 HydrophobicContact CE1-CE3 4.05Å; F556-W598 AromaticContact CE1-CZ3 3.7Å; F556-W598 HydrophobicContact CE1-CZ3 3.7Å; F556-W598 AromaticContact CE2-CE3 3.6Å; F556-W598 HydrophobicContact CE2-CE3 3.6Å; F556-W598 AromaticContact CE2-CZ3 3.87Å; F556-W598 HydrophobicContact CE2-CZ3 3.87Å; F556-W598 AromaticContact CZ-CE3 3.26Å; F556-W598 HydrophobicContact CZ-CE3 3.26Å; F556-W598 AromaticContact CZ-CZ3 3.39Å; F556-W598 HydrophobicContact CZ-CZ3 3.39Å; F556-F602 HydrophobicContact CD2-CB 4.35Å; F556-F602 HydrophobicContact CE1-CD2 4.44Å; F556-F602 HydrophobicContact CE2-CB 3.69Å; F556-F602 HydrophobicContact CE2-CD2 4.5Å; F556-F602 VanDerWaalsContact CE2-N 3.34Å; F556-F602 HydrophobicContact CZ-CB 4.01Å; F556-F602 HydrophobicContact CZ-CD2 4.12Å; F556-A605 HydrophobicContact CB-CB 3.68Å; F556-A605 HydrophobicContact CG-CB 4.45Å
557	S	97.1	Very high	95.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-51.3	174.8	-178	0	0	0	0	111.5	S512 M516 L553 S554 T555 Q559 S560 S561	S512-S557 WeakPolarHBondContact O-CB 3.47Å; S512-S557 PolarHBondContact O-OG 3.16Å; S512-S557 PolarHBondContact OG-O 3.47Å; M516-S557 WeakPolarHBondContact CB-OG 3.42Å; M516-S557 PolarHBondContact N-OG 2.99Å; L553-S557 VanDerWaalsContact O-CB 3.24Å; L553-S557 WeakPolarHBondContact O-CB 3.43Å; L553-S557 PolarHBondContact O-N 3.27Å; S554-S557 PolarHBondContact O-N 3.47Å; T555-S557 VanDerWaalsContact C-N 3.34Å; T555-S557 PolarHBondContact O-N 3.07Å; S557-Q559 PolarHBondContact O-N 3.04Å; S557-S560 PolarHBondContact O-N 3.15Å; S557-S560 PolarHBondContact O-OG 3.35Å; S557-S560 VanDerWaalsContact O-OG 3.13Å; S557-S561 WeakPolarHBondContact O-CB 3.29Å; S557-S561 PolarHBondContact O-N 3.38Å; S557-S561 PolarHBondContact O-OG 3.46Å
558	C	94.4	Very high	95.1	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-54.8	-53.5	177.9	-69	0	0	0	0	112.2	M516 S554 T555 S561 T562 F646 W701	M516-C558 WeakPolarHBondContact CE-SG 3.25Å; S554-C558 WeakPolarHBondContact O-CB 3.07Å; S554-C558 PolarHBondContact O-N 3.29Å; S554-C558 PolarHBondContact O-SG 3.22Å; T555-C558 PolarHBondContact O-N 2.88Å; C558-S561 PolarHBondContact O-N 3.16Å; C558-T562 PolarHBondContact O-N 3.32Å; C558-T562 VanDerWaalsContact O-N 3.09Å; C558-T562 PolarHBondContact O-OG1 3.02Å; C558-F646 HydrophobicContact CB-CE1 4.26Å; C558-W701 HydrophobicContact CB-CH2 3.82Å; C558-W701 HydrophobicContact CB-CZ2 3.78Å
559	Q	94.7	Very high	94.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.7	-42	-176.2	-66.3	-59.6	-43.9	0	0	111.8	T555 S557 L563 L645	T555-Q559 HydrophobicContact CG2-CG 4.08Å; T555-Q559 WeakPolarHBondContact O-CB 3.32Å; T555-Q559 VanDerWaalsContact O-CG 3.24Å; T555-Q559 WeakPolarHBondContact O-CG 3.26Å; T555-Q559 PolarHBondContact O-N 3.49Å; S557-Q559 PolarHBondContact O-N 3.04Å; Q559-L563 WeakPolarHBondContact O-CB 3.47Å; Q559-L563 VanDerWaalsContact O-CG 3.25Å; Q559-L563 WeakPolarHBondContact O-CG 3.48Å; Q559-L563 PolarHBondContact O-N 3Å; Q559-L645 PolarHBondContact NE2-O 3Å
560	S	95.7	Very high	94.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-67.6	-37.1	178.4	59.1	0	0	0	0	112.4	S512 F556 S557 L564 S601	S512-S560 WeakPolarHBondContact CB-OG 3.36Å; S512-S560 PolarHBondContact OG-OG 3.36Å; F556-S560 VanDerWaalsContact O-CB 3.23Å; F556-S560 WeakPolarHBondContact O-CB 3.49Å; F556-S560 PolarHBondContact O-N 3.28Å; F556-S560 PolarHBondContact O-OG 2.65Å; S557-S560 PolarHBondContact O-N 3.15Å; S557-S560 PolarHBondContact O-OG 3.35Å; S557-S560 VanDerWaalsContact O-OG 3.13Å; S560-L564 WeakPolarHBondContact O-CB 3.18Å; S560-L564 PolarHBondContact O-N 2.94Å; S560-S601 WeakPolarHBondContact CA-OG 3.41Å
561	S	93.7	Very high	93.7	Very high	5 Å²	5	12.5 Å²	12.5	4%	0.035	6%	0.059	C	C	.	.	H	α-helix	trans	-63.7	-53	175.8	-76	0	0	0	0	112	S512 S557 C558 L563 L564 L565	S512-S561 WeakPolarHBondContact CB-OG 3.34Å; S512-S561 PolarHBondContact OG-N 2.97Å; S512-S561 PolarHBondContact OG-OG 2.72Å; S557-S561 WeakPolarHBondContact O-CB 3.29Å; S557-S561 PolarHBondContact O-N 3.38Å; S557-S561 PolarHBondContact O-OG 3.46Å; C558-S561 PolarHBondContact O-N 3.16Å; S561-L563 PolarHBondContact O-N 3.28Å; S561-L564 PolarHBondContact O-N 2.85Å; S561-L565 WeakPolarHBondContact O-CG 3.24Å; S561-L565 PolarHBondContact O-N 2.89Å
562	T	91.8	Very high	93	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-48.3	179.5	-53	0	0	0	0	111.5	C558 L564 L565 T566 N650 W701	C558-T562 PolarHBondContact O-N 3.32Å; C558-T562 VanDerWaalsContact O-N 3.09Å; C558-T562 PolarHBondContact O-OG1 3.02Å; T562-L564 VanDerWaalsContact C-N 3.27Å; T562-L564 PolarHBondContact O-N 2.6Å; T562-L565 PolarHBondContact O-N 2.81Å; T562-T566 PolarHBondContact O-N 3.29Å; T562-T566 PolarHBondContact O-OG1 3.37Å; T562-N650 WeakPolarHBondContact CB-OD1 3.1Å; T562-N650 WeakPolarHBondContact CG2-OD1 3.48Å; T562-N650 PolarHBondContact OG1-OD1 2.85Å; T562-W701 PolarHBondContact OG1-NE1 3.47Å
563	L	94.4	Very high	92.4	Very high	37 Å²	37	13.3 Å²	13.3	19%	0.194	6%	0.063	C	C	.	.	H	α-helix	trans	-64.8	-33.5	-179.9	-68.6	176.8	0	0	0	111.9	Q559 S561 T566 L567 L597 I600 V649	Q559-L563 WeakPolarHBondContact O-CB 3.47Å; Q559-L563 VanDerWaalsContact O-CG 3.25Å; Q559-L563 WeakPolarHBondContact O-CG 3.48Å; Q559-L563 PolarHBondContact O-N 3Å; S561-L563 PolarHBondContact O-N 3.28Å; L563-T566 WeakPolarHBondContact O-CB 3.24Å; L563-T566 PolarHBondContact O-N 3.19Å; L563-L567 WeakPolarHBondContact O-CB 3.24Å; L563-L567 PolarHBondContact O-N 3.24Å; L563-L597 HydrophobicContact CB-CD1 3.82Å; L563-L597 HydrophobicContact CB-CD2 4.17Å; L563-L597 HydrophobicContact CB-CG 3.8Å; L563-L597 WeakPolarHBondContact O-CD1 3.19Å; L563-I600 HydrophobicContact CD1-CG2 4.32Å; L563-V649 HydrophobicContact CD2-CG1 4.27Å
564	L	94.2	Very high	91.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-69	-40.4	178.4	-177.3	64.3	0	0	0	111.1	Y505 H508 L509 S560 S561 T562 T566 L567 V568 L594 L597	Y505-L564 HydrophobicContact CD1-CD1 3.96Å; H508-L564 HydrophobicContact CB-CD1 4.4Å; H508-L564 HydrophobicContact CB-CD2 3.83Å; L509-L564 VanDerWaalsContact CA-CD2 3.41Å; L509-L564 HydrophobicContact CB-CD2 3.62Å; L509-L564 HydrophobicContact CD1-CD2 4.18Å; L509-L564 HydrophobicContact CG-CD2 4.46Å; S560-L564 WeakPolarHBondContact O-CB 3.18Å; S560-L564 PolarHBondContact O-N 2.94Å; S561-L564 PolarHBondContact O-N 2.85Å; T562-L564 VanDerWaalsContact C-N 3.27Å; T562-L564 PolarHBondContact O-N 2.6Å; L564-T566 VanDerWaalsContact C-N 3.32Å; L564-L567 PolarHBondContact O-N 2.89Å; L564-V568 HydrophobicContact CD1-CG2 4.48Å; L564-V568 HydrophobicContact CG-CG2 4.47Å; L564-V568 WeakPolarHBondContact O-CB 3.36Å; L564-V568 VanDerWaalsContact O-CG2 3.23Å; L564-V568 WeakPolarHBondContact O-CG2 3.43Å; L564-V568 PolarHBondContact O-N 3.03Å; L564-L594 HydrophobicContact CD1-CD2 3.4Å; L564-L597 HydrophobicContact CB-CD1 4.35Å
565	L	90.9	Very high	90.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-38.7	174.1	-67.4	177	0	0	0	111.9	L509 S561 T562 T569 I657 I693 V694 D697	L509-L565 HydrophobicContact CD2-CD2 3.98Å; S561-L565 WeakPolarHBondContact O-CG 3.24Å; S561-L565 PolarHBondContact O-N 2.89Å; T562-L565 PolarHBondContact O-N 2.81Å; L565-T569 VanDerWaalsContact O-CB 3.29Å; L565-T569 WeakPolarHBondContact O-CB 3.36Å; L565-T569 PolarHBondContact O-N 3Å; L565-T569 PolarHBondContact O-OG1 3.17Å; L565-I657 HydrophobicContact CB-CD1 4.34Å; L565-I693 HydrophobicContact CD2-CG2 3.7Å; L565-V694 HydrophobicContact CB-CG2 4.39Å; L565-V694 HydrophobicContact CD2-CG2 4.13Å; L565-D697 HydrophobicContact CD1-CB 3.43Å; L565-D697 VanDerWaalsContact CD1-CB 3.43Å; L565-D697 WeakPolarHBondContact CD1-OD2 3.09Å
566	T	92.9	Very high	89.9	Confident	27 Å²	27	18.4 Å²	18.4	17%	0.166	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-47.9	170.9	-65.2	0	0	0	0	111.4	T562 L563 L564 T569 W570 S653 F656	T562-T566 PolarHBondContact O-N 3.29Å; T562-T566 PolarHBondContact O-OG1 3.37Å; L563-T566 WeakPolarHBondContact O-CB 3.24Å; L563-T566 PolarHBondContact O-N 3.19Å; L564-T566 VanDerWaalsContact C-N 3.32Å; T566-T569 PolarHBondContact O-N 3.06Å; T566-W570 PolarHBondContact O-N 2.87Å; T566-S653 VanDerWaalsContact OG1-CB 3.23Å; T566-S653 WeakPolarHBondContact OG1-CB 3.45Å; T566-S653 PolarHBondContact OG1-OG 2.83Å; T566-F656 HydrophobicContact CG2-CD1 3.65Å; T566-F656 HydrophobicContact CG2-CE1 3.97Å; T566-F656 HydrophobicContact CG2-CG 4.46Å
567	L	92.6	Very high	88.8	Confident	23 Å²	23	20.1 Å²	20.1	12%	0.12	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-44	179.1	176	61.5	0	0	0	112.5	Y505 L563 L564 T569 W570 D571 R593 L594 L597	Y505-L567 HydrophobicContact CE1-CD2 4.04Å; Y505-L567 HydrophobicContact CE1-CG 4.13Å; L563-L567 WeakPolarHBondContact O-CB 3.24Å; L563-L567 PolarHBondContact O-N 3.24Å; L564-L567 PolarHBondContact O-N 2.89Å; L567-T569 VanDerWaalsContact C-N 3.3Å; L567-T569 PolarHBondContact O-N 2.84Å; L567-W570 WeakPolarHBondContact O-CB 3.48Å; L567-W570 PolarHBondContact O-N 3.33Å; L567-D571 WeakPolarHBondContact O-CB 3.31Å; L567-D571 PolarHBondContact O-N 2.92Å; L567-R593 HydrophobicContact CD1-CB 4.33Å; L567-R593 HydrophobicContact CD2-CB 4.14Å; L567-L594 HydrophobicContact CD2-CD2 3.94Å; L567-L594 HydrophobicContact CD2-CG 4.34Å; L567-L597 HydrophobicContact CB-CD1 4.1Å; L567-L597 HydrophobicContact CD2-CD1 3.95Å
568	V	88.4	Confident	87.7	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-44.5	176.2	168.3	0	0	0	0	110.1	Y505 L564 D571 R572 F690	Y505-V568 HydrophobicContact CD1-CG2 3.5Å; Y505-V568 HydrophobicContact CD2-CG2 4.13Å; Y505-V568 HydrophobicContact CE1-CG2 4.11Å; Y505-V568 HydrophobicContact CG-CG2 3.52Å; L564-V568 HydrophobicContact CD1-CG2 4.48Å; L564-V568 HydrophobicContact CG-CG2 4.47Å; L564-V568 WeakPolarHBondContact O-CB 3.36Å; L564-V568 VanDerWaalsContact O-CG2 3.23Å; L564-V568 WeakPolarHBondContact O-CG2 3.43Å; L564-V568 PolarHBondContact O-N 3.03Å; V568-D571 PolarHBondContact O-N 3.1Å; V568-R572 VanDerWaalsContact O-CG 3.29Å; V568-R572 WeakPolarHBondContact O-CG 3.35Å; V568-R572 PolarHBondContact O-N 2.93Å; V568-F690 HydrophobicContact CG1-CB 4.49Å; V568-F690 HydrophobicContact CG1-CD1 3.53Å; V568-F690 HydrophobicContact CG1-CD2 4.31Å; V568-F690 HydrophobicContact CG1-CE1 3.66Å; V568-F690 HydrophobicContact CG1-CE2 4.4Å; V568-F690 HydrophobicContact CG1-CG 3.87Å; V568-F690 HydrophobicContact CG1-CZ 4.1Å
569	T	88.7	Confident	86.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-40.4	179.4	-58	0	0	0	0	111.5	L565 T566 L567 R572 L573 F656 I657 S660 Y661 M664	L565-T569 VanDerWaalsContact O-CB 3.29Å; L565-T569 WeakPolarHBondContact O-CB 3.36Å; L565-T569 PolarHBondContact O-N 3Å; L565-T569 PolarHBondContact O-OG1 3.17Å; T566-T569 PolarHBondContact O-N 3.06Å; L567-T569 VanDerWaalsContact C-N 3.3Å; L567-T569 PolarHBondContact O-N 2.84Å; T569-R572 PolarHBondContact O-N 3.31Å; T569-L573 WeakPolarHBondContact O-CB 3.16Å; T569-L573 PolarHBondContact O-N 3.1Å; T569-F656 HydrophobicContact CG2-CE1 4.49Å; T569-I657 HydrophobicContact CG2-CG1 4.41Å; T569-S660 VanDerWaalsContact CG2-CB 3.44Å; T569-Y661 HydrophobicContact CG2-CD2 3.91Å; T569-Y661 HydrophobicContact CG2-CE2 3.71Å; T569-M664 HydrophobicContact CG2-CE 4.21Å
570	W	89.4	Confident	85.1	Confident	103 Å²	103	39.3 Å²	39.3	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-47.7	172.1	169.4	-94.1	0	0	0	112.3	T566 L567 R572 L573 M574 F656	T566-W570 PolarHBondContact O-N 2.87Å; L567-W570 WeakPolarHBondContact O-CB 3.48Å; L567-W570 PolarHBondContact O-N 3.33Å; W570-R572 VanDerWaalsContact C-N 3.27Å; W570-R572 PolarHBondContact O-N 2.99Å; W570-L573 WeakPolarHBondContact O-CB 3.5Å; W570-L573 PolarHBondContact O-N 3.19Å; W570-M574 HydrophobicContact CD2-CG 4.31Å; W570-M574 HydrophobicContact CE3-CE 4.5Å; W570-M574 HydrophobicContact CH2-CE 4.01Å; W570-M574 HydrophobicContact CH2-SD 4.16Å; W570-M574 HydrophobicContact CZ2-CE 4.21Å; W570-M574 HydrophobicContact CZ2-CG 3.99Å; W570-M574 HydrophobicContact CZ2-SD 3.84Å; W570-M574 HydrophobicContact CZ3-CE 4.16Å; W570-M574 WeakPolarHBondContact O-CG 3.47Å; W570-M574 PolarHBondContact O-N 3.27Å; W570-F656 HydrophobicContact CB-CE1 4.12Å; W570-F656 HydrophobicContact CB-CZ 3.84Å; W570-F656 HydrophobicContact CD2-CZ 4.47Å; W570-F656 AromaticContact CE3-CE2 3.97Å; W570-F656 HydrophobicContact CE3-CE2 3.97Å; W570-F656 AromaticContact CE3-CZ 3.75Å; W570-F656 HydrophobicContact CE3-CZ 3.75Å
571	D	86	Confident	83.4	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-39.9	179.2	-166.5	63.6	0	0	0	111.3	Y505 L567 V568 M574 S575	Y505-D571 HydrophobicContact CE2-CB 4.35Å; L567-D571 WeakPolarHBondContact O-CB 3.31Å; L567-D571 PolarHBondContact O-N 2.92Å; V568-D571 PolarHBondContact O-N 3.1Å; D571-M574 PolarHBondContact O-N 3.15Å; D571-S575 WeakPolarHBondContact O-CB 3.34Å; D571-S575 PolarHBondContact O-N 2.68Å
572	R	82.7	Confident	81.7	Confident	20 Å²	20	50.7 Å²	50.7	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-44	174.1	-63.9	-24.5	-156.1	110	33.7	113.3	H502 V568 T569 W570 M574 S575 V576 M664 F690	H502-R572 PolarHBondContact CE1-NH1 3.17Å; H502-R572 PolarHBondContact CE1-NH2 2.92Å; H502-R572 PolarHBondContact ND1-NH2 2.86Å; H502-R572 PolarHBondContact NE2-NH1 2.94Å; V568-R572 VanDerWaalsContact O-CG 3.29Å; V568-R572 WeakPolarHBondContact O-CG 3.35Å; V568-R572 PolarHBondContact O-N 2.93Å; T569-R572 PolarHBondContact O-N 3.31Å; W570-R572 VanDerWaalsContact C-N 3.27Å; W570-R572 PolarHBondContact O-N 2.99Å; R572-M574 PolarHBondContact O-N 2.88Å; R572-S575 PolarHBondContact O-N 3.2Å; R572-S575 VanDerWaalsContact O-N 3.17Å; R572-V576 WeakPolarHBondContact O-CG2 3.1Å; R572-V576 PolarHBondContact O-N 3.26Å; R572-M664 HydrophobicContact CB-CE 4.41Å; R572-M664 HydrophobicContact CB-SD 3.58Å; R572-M664 VanDerWaalsContact CB-SD 3.58Å; R572-F690 VanDerWaalsContact NH2-CD2 3.31Å; R572-F690 VanDerWaalsContact NH2-CE2 3.29Å
573	L	85.5	Confident	80.2	Confident	13 Å²	13	55.2 Å²	55.2	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-43.5	175.3	178.7	64.3	0	0	0	110.7	T569 W570 V576 T577 R663 M664	T569-L573 WeakPolarHBondContact O-CB 3.16Å; T569-L573 PolarHBondContact O-N 3.1Å; W570-L573 WeakPolarHBondContact O-CB 3.5Å; W570-L573 PolarHBondContact O-N 3.19Å; L573-V576 PolarHBondContact O-N 3.05Å; L573-T577 HydrophobicContact CD1-CG2 3.81Å; L573-T577 HydrophobicContact CG-CG2 4.47Å; L573-T577 WeakPolarHBondContact O-CB 3.45Å; L573-T577 WeakPolarHBondContact O-CG2 3.34Å; L573-T577 PolarHBondContact O-N 3.27Å; L573-T577 PolarHBondContact O-OG1 2.92Å; L573-R663 HydrophobicContact CD1-CB 3.62Å; L573-M664 HydrophobicContact CB-CG 4.31Å; L573-M664 HydrophobicContact CD1-CG 3.88Å
574	M	83.7	Confident	78.4	Confident	41 Å²	41	61.2 Å²	61.2	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-42.8	176.8	-68.2	-59.7	99.1	0	0	112.3	W570 D571 R572 V576 R578	W570-M574 HydrophobicContact CD2-CG 4.31Å; W570-M574 HydrophobicContact CE3-CE 4.5Å; W570-M574 HydrophobicContact CH2-CE 4.01Å; W570-M574 HydrophobicContact CH2-SD 4.16Å; W570-M574 HydrophobicContact CZ2-CE 4.21Å; W570-M574 HydrophobicContact CZ2-CG 3.99Å; W570-M574 HydrophobicContact CZ2-SD 3.84Å; W570-M574 HydrophobicContact CZ3-CE 4.16Å; W570-M574 WeakPolarHBondContact O-CG 3.47Å; W570-M574 PolarHBondContact O-N 3.27Å; D571-M574 PolarHBondContact O-N 3.15Å; R572-M574 PolarHBondContact O-N 2.88Å; M574-V576 VanDerWaalsContact C-N 3.32Å; M574-V576 PolarHBondContact O-N 3.24Å; M574-R578 WeakPolarHBondContact O-CB 3.41Å; M574-R578 PolarHBondContact O-N 2.95Å
575	S	76.4	Confident	76.6	Confident	25 Å²	25	65.6 Å²	65.6	18%	0.175	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-34.8	178.2	-173.3	0	0	0	0	112.9	D571 R572 R583	D571-S575 WeakPolarHBondContact O-CB 3.34Å; D571-S575 PolarHBondContact O-N 2.68Å; R572-S575 PolarHBondContact O-N 3.2Å; R572-S575 VanDerWaalsContact O-N 3.17Å; S575-R583 PolarHBondContact OG-NH2 2.93Å
576	V	76.3	Confident	75.7	Confident	49 Å²	49	67.2 Å²	67.2	30%	0.297	35%	0.345	S	S	.	.	H	α-helix	trans	-79.7	-42.4	179.6	173.9	0	0	0	0	111.4	R572 L573 M574 M664 A667 I668	R572-V576 WeakPolarHBondContact O-CG2 3.1Å; R572-V576 PolarHBondContact O-N 3.26Å; L573-V576 PolarHBondContact O-N 3.05Å; M574-V576 VanDerWaalsContact C-N 3.32Å; M574-V576 PolarHBondContact O-N 3.24Å; V576-M664 HydrophobicContact CB-CG 4.28Å; V576-M664 HydrophobicContact CG2-CG 4.27Å; V576-M664 HydrophobicContact CG2-SD 4.3Å; V576-A667 HydrophobicContact CG1-CB 3.79Å; V576-I668 HydrophobicContact CG1-CG1 4.05Å
577	T	75.7	Confident	75	Confident	60 Å²	60	71.8 Å²	71.8	37%	0.368	36%	0.362	S	S	.	.	H	α-helix	trans	-84.6	-20.5	-174.3	58.5	0	0	0	0	114	L573 A667	L573-T577 HydrophobicContact CD1-CG2 3.81Å; L573-T577 HydrophobicContact CG-CG2 4.47Å; L573-T577 WeakPolarHBondContact O-CB 3.45Å; L573-T577 WeakPolarHBondContact O-CG2 3.34Å; L573-T577 PolarHBondContact O-N 3.27Å; L573-T577 PolarHBondContact O-OG1 2.92Å; T577-A667 HydrophobicContact CG2-CB 4.24Å
578	R	74.4	Confident	74.6	Confident	141 Å²	141	75.5 Å²	75.5	53%	0.532	39%	0.386	S	S	.	.			trans	-133.7	64.1	-176.5	-62.5	179	175.3	174.3	-3.7	112.4	M574 L580	M574-R578 WeakPolarHBondContact O-CB 3.41Å; M574-R578 PolarHBondContact O-N 2.95Å; R578-L580 VanDerWaalsContact C-N 3.28Å; R578-L580 PolarHBondContact O-N 2.84Å
579	P	68.5	Low	74.5	Confident	99 Å²	99	80.6 Å²	80.6	64%	0.643	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.7	-172.8	26.2	-34.9	0	0	0	115
580	L	65.4	Low	74.5	Confident	169 Å²	169	80.7 Å²	80.7	89%	0.885	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7	-170.4	-62.8	173.9	0	0	0	115.3	R578	R578-L580 VanDerWaalsContact C-N 3.28Å; R578-L580 PolarHBondContact O-N 2.84Å
581	K	60.7	Low	74.6	Confident	138 Å²	138	78.8 Å²	78.8	60%	0.6	41%	0.405	S	S	*	.	S	Bend	trans	-83.5	132.8	176.1	-79.5	-172.3	175.6	-173.6	0	111.2	R583	K581-R583 PolarHBondContact O-N 3.18Å
582	P	56.5	Low	74.9	Confident	109 Å²	109	83.7 Å²	83.7	71%	0.708	43%	0.43	S	S	*	.			trans	-62.6	131.5	-179.6	22.4	-31	0	0	0	112.3
583	R	61.9	Low	75.4	Confident	96 Å²	96	87 Å²	87	36%	0.362	44%	0.443	S	S	.	.			trans	-92.5	-9.3	-170.4	-70.3	-177.3	120.2	133.1	-0.3	115.7	E501 S575 K581 T585 E586	E501-R583 IonicContact OE2-NH2 3.36Å; S575-R583 PolarHBondContact OG-NH2 2.93Å; K581-R583 PolarHBondContact O-N 3.18Å; R583-T585 PolarHBondContact O-N 2.98Å; R583-E586 WeakPolarHBondContact CG-OE2 3.42Å; R583-E586 IonicContact NE-OE2 3.34Å; R583-E586 PolarHBondContact NE-OE2 3.4Å; R583-E586 WeakPolarHBondContact O-CB 3.47Å; R583-E586 PolarHBondContact O-N 3.1Å
584	D	55.8	Low	75.9	Confident	162 Å²	162	86.4 Å²	86.4	87%	0.866	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.7	-164.6	-65.8	-30.3	0	0	0	114.8
585	T	55.6	Low	76.5	Confident	94 Å²	94	89.7 Å²	89.7	58%	0.577	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	17.4	176.1	47.9	0	0	0	0	114.1	R583 R589	R583-T585 PolarHBondContact O-N 2.98Å; T585-R589 PolarHBondContact O-NE 2.84Å; T585-R589 PolarHBondContact OG1-NH2 3.08Å
586	E	73.5	Confident	77.5	Confident	35 Å²	35	94 Å²	94	16%	0.164	48%	0.478	C	S	.	.	H	α-helix	trans	-82.2	-35.9	-172	-167.6	156.7	-141.9	0	0	113.4	R583 V588 R589 I590	R583-E586 WeakPolarHBondContact CG-OE2 3.42Å; R583-E586 IonicContact NE-OE2 3.34Å; R583-E586 PolarHBondContact NE-OE2 3.4Å; R583-E586 WeakPolarHBondContact O-CB 3.47Å; R583-E586 PolarHBondContact O-N 3.1Å; E586-V588 PolarHBondContact O-N 3.2Å; E586-R589 WeakPolarHBondContact O-CB 3.37Å; E586-R589 PolarHBondContact O-N 3.06Å; E586-R589 VanDerWaalsContact O-N 3.13Å; E586-I590 HydrophobicContact CG-CD1 3.78Å; E586-I590 HydrophobicContact CG-CG1 4.15Å; E586-I590 WeakPolarHBondContact O-CG1 3.13Å; E586-I590 PolarHBondContact O-N 3.07Å
587	K	76.7	Confident	78.5	Confident	123 Å²	123	92.3 Å²	92.3	54%	0.535	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-48.4	-178	-69.5	-179.7	-175.2	167.7	0	113.7	R589 I590 V591	K587-R589 VanDerWaalsContact C-N 3.28Å; K587-R589 PolarHBondContact O-N 2.97Å; K587-I590 PolarHBondContact O-N 3.41Å; K587-V591 WeakPolarHBondContact O-CG2 3.49Å; K587-V591 PolarHBondContact O-N 3.04Å
588	V	84.1	Confident	79.5	Confident	102 Å²	102	91.6 Å²	91.6	62%	0.618	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-41.8	178.9	176.5	0	0	0	0	109.9	E586 V591 L592	E586-V588 PolarHBondContact O-N 3.2Å; V588-V591 PolarHBondContact O-N 3.2Å; V588-L592 HydrophobicContact CG1-CD1 4.03Å; V588-L592 HydrophobicContact CG1-CG 4.4Å; V588-L592 WeakPolarHBondContact O-CB 3.34Å; V588-L592 VanDerWaalsContact O-CG 3.28Å; V588-L592 WeakPolarHBondContact O-CG 3.36Å; V588-L592 PolarHBondContact O-N 3.38Å
589	R	87.3	Confident	80.6	Confident	111 Å²	111	87 Å²	87	42%	0.419	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-40.8	176.7	-72.6	-175.6	-87.8	159	-7.1	112.3	T585 E586 K587 L592 R593	T585-R589 PolarHBondContact O-NE 2.84Å; T585-R589 PolarHBondContact OG1-NH2 3.08Å; E586-R589 WeakPolarHBondContact O-CB 3.37Å; E586-R589 PolarHBondContact O-N 3.06Å; E586-R589 VanDerWaalsContact O-N 3.13Å; K587-R589 VanDerWaalsContact C-N 3.28Å; K587-R589 PolarHBondContact O-N 2.97Å; R589-L592 PolarHBondContact O-N 3.26Å; R589-R593 VanDerWaalsContact O-CG 3.29Å; R589-R593 WeakPolarHBondContact O-CG 3.46Å; R589-R593 PolarHBondContact O-N 2.89Å
590	I	88.5	Confident	82	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.005	44%	0.443	C	S	.	.	H	α-helix	trans	-62.5	-48.3	175.1	-68.8	167.3	0	0	0	110.4	E501 L504 Y505 E586 K587 L592 R593 L594	E501-I590 HydrophobicContact CB-CD1 3.95Å; E501-I590 HydrophobicContact CG-CD1 3.56Å; L504-I590 HydrophobicContact CD2-CG2 3.78Å; Y505-I590 HydrophobicContact CE1-CG2 4.09Å; Y505-I590 HydrophobicContact CE2-CG2 4.46Å; E586-I590 HydrophobicContact CG-CD1 3.78Å; E586-I590 HydrophobicContact CG-CG1 4.15Å; E586-I590 WeakPolarHBondContact O-CG1 3.13Å; E586-I590 PolarHBondContact O-N 3.07Å; K587-I590 PolarHBondContact O-N 3.41Å; I590-L592 VanDerWaalsContact C-N 3.34Å; I590-L592 PolarHBondContact O-N 2.82Å; I590-R593 PolarHBondContact O-N 3.04Å; I590-L594 HydrophobicContact CG2-CD1 3.69Å; I590-L594 HydrophobicContact CG2-CG 4.31Å; I590-L594 VanDerWaalsContact O-CG 3.31Å; I590-L594 WeakPolarHBondContact O-CG 3.24Å; I590-L594 PolarHBondContact O-N 3.05Å
591	V	91.1	Very high	83.6	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-60.4	-43.6	178.7	172.7	0	0	0	0	111.1	L504 K587 V588 R593 L594 L595	L504-V591 HydrophobicContact CD2-CG2 3.98Å; K587-V591 WeakPolarHBondContact O-CG2 3.49Å; K587-V591 PolarHBondContact O-N 3.04Å; V588-V591 PolarHBondContact O-N 3.2Å; V591-R593 PolarHBondContact O-N 3.27Å; V591-L594 PolarHBondContact O-N 2.95Å; V591-L595 HydrophobicContact CG1-CD1 4.06Å; V591-L595 HydrophobicContact CG1-CG 4.36Å; V591-L595 WeakPolarHBondContact O-CG 3.38Å; V591-L595 PolarHBondContact O-N 3.29Å
592	L	92.8	Very high	85.4	Confident	105 Å²	105	76.6 Å²	76.6	55%	0.55	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-42.4	176	-71.7	171.9	0	0	0	112.4	V588 R589 I590 L594 L595 L596	V588-L592 HydrophobicContact CG1-CD1 4.03Å; V588-L592 HydrophobicContact CG1-CG 4.4Å; V588-L592 WeakPolarHBondContact O-CB 3.34Å; V588-L592 VanDerWaalsContact O-CG 3.28Å; V588-L592 WeakPolarHBondContact O-CG 3.36Å; V588-L592 PolarHBondContact O-N 3.38Å; R589-L592 PolarHBondContact O-N 3.26Å; I590-L592 VanDerWaalsContact C-N 3.34Å; I590-L592 PolarHBondContact O-N 2.82Å; L592-L594 VanDerWaalsContact C-N 3.34Å; L592-L595 PolarHBondContact O-N 3.26Å; L592-L596 WeakPolarHBondContact O-CB 3.34Å; L592-L596 PolarHBondContact O-N 3.29Å
593	R	93.9	Very high	87.3	Confident	89 Å²	89	73.2 Å²	73.2	34%	0.336	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-40.9	175.1	-72.5	171.8	-177.3	168.8	-0.2	112	L567 R589 I590 V591 L596 L597	L567-R593 HydrophobicContact CD1-CB 4.33Å; L567-R593 HydrophobicContact CD2-CB 4.14Å; R589-R593 VanDerWaalsContact O-CG 3.29Å; R589-R593 WeakPolarHBondContact O-CG 3.46Å; R589-R593 PolarHBondContact O-N 2.89Å; I590-R593 PolarHBondContact O-N 3.04Å; V591-R593 PolarHBondContact O-N 3.27Å; R593-L596 PolarHBondContact O-N 3.13Å; R593-L597 WeakPolarHBondContact O-CB 3.48Å; R593-L597 PolarHBondContact O-N 2.76Å
594	L	95.6	Very high	88.9	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-65.2	-46.9	176.8	-71.2	164.7	0	0	0	110.9	L504 Y505 H508 L564 L567 I590 V591 L592 L596 L597 W598	L504-L594 HydrophobicContact CD2-CD1 3.77Å; L504-L594 HydrophobicContact CG-CD1 3.88Å; Y505-L594 HydrophobicContact CD1-CD2 4.08Å; Y505-L594 HydrophobicContact CE1-CD2 4.1Å; Y505-L594 HydrophobicContact CE1-CG 4.48Å; H508-L594 HydrophobicContact CB-CD2 4.38Å; L564-L594 HydrophobicContact CD1-CD2 3.4Å; L567-L594 HydrophobicContact CD2-CD2 3.94Å; L567-L594 HydrophobicContact CD2-CG 4.34Å; I590-L594 HydrophobicContact CG2-CD1 3.69Å; I590-L594 HydrophobicContact CG2-CG 4.31Å; I590-L594 VanDerWaalsContact O-CG 3.31Å; I590-L594 WeakPolarHBondContact O-CG 3.24Å; I590-L594 PolarHBondContact O-N 3.05Å; V591-L594 PolarHBondContact O-N 2.95Å; L592-L594 VanDerWaalsContact C-N 3.34Å; L594-L596 VanDerWaalsContact C-N 3.31Å; L594-L596 PolarHBondContact O-N 3.45Å; L594-L597 WeakPolarHBondContact O-CB 2.97Å; L594-L597 PolarHBondContact O-N 3Å; L594-W598 PolarHBondContact O-N 3.45Å
595	L	95.9	Very high	90.9	Very high	109 Å²	109	62.9 Å²	62.9	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-59.1	-42.9	176.4	-72.2	172.9	0	0	0	111.9	V591 L592 W598 G599	V591-L595 HydrophobicContact CG1-CD1 4.06Å; V591-L595 HydrophobicContact CG1-CG 4.36Å; V591-L595 WeakPolarHBondContact O-CG 3.38Å; V591-L595 PolarHBondContact O-N 3.29Å; L592-L595 PolarHBondContact O-N 3.26Å; L595-W598 PolarHBondContact O-N 3.08Å; L595-G599 PolarHBondContact O-N 2.95Å
596	L	96.8	Very high	92.9	Very high	115 Å²	115	59.4 Å²	59.4	60%	0.602	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-45.4	175	179.4	63.5	0	0	0	111.7	L592 R593 L594 G599 I600	L592-L596 WeakPolarHBondContact O-CB 3.34Å; L592-L596 PolarHBondContact O-N 3.29Å; R593-L596 PolarHBondContact O-N 3.13Å; L594-L596 VanDerWaalsContact C-N 3.31Å; L594-L596 PolarHBondContact O-N 3.45Å; L596-G599 PolarHBondContact O-N 2.85Å; L596-I600 HydrophobicContact CD1-CD1 4.19Å; L596-I600 HydrophobicContact CD1-CG1 4.4Å; L596-I600 HydrophobicContact CG-CD1 4Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 3.49Å
597	L	97	Very high	94	Very high	14 Å²	14	59 Å²	59	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-46	178.4	-179.8	161.1	0	0	0	112.2	L563 L564 L567 R593 L594 G599 I600 S601	L563-L597 HydrophobicContact CB-CD1 3.82Å; L563-L597 HydrophobicContact CB-CD2 4.17Å; L563-L597 HydrophobicContact CB-CG 3.8Å; L563-L597 WeakPolarHBondContact O-CD1 3.19Å; L564-L597 HydrophobicContact CB-CD1 4.35Å; L567-L597 HydrophobicContact CB-CD1 4.1Å; L567-L597 HydrophobicContact CD2-CD1 3.95Å; R593-L597 WeakPolarHBondContact O-CB 3.48Å; R593-L597 PolarHBondContact O-N 2.76Å; L594-L597 WeakPolarHBondContact O-CB 2.97Å; L594-L597 PolarHBondContact O-N 3Å; L597-G599 VanDerWaalsContact C-N 3.31Å; L597-G599 PolarHBondContact O-N 2.88Å; L597-I600 PolarHBondContact O-N 3.02Å; L597-S601 WeakPolarHBondContact O-CB 3.48Å; L597-S601 PolarHBondContact O-N 3.42Å; L597-S601 PolarHBondContact O-OG 3.34Å
598	W	97.9	Very high	94.9	Very high	46 Å²	46	53.7 Å²	53.7	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-41.8	174.9	-83.9	95.1	0	0	0	111	H508 A511 L515 F556 L594 L595 S601 F602	H508-W598 AromaticContact CG-NE1 3.91Å; H508-W598 AromaticContact ND1-CD1 3.85Å; H508-W598 AromaticContact ND1-CE2 3.94Å; H508-W598 AromaticContact ND1-NE1 3.11Å; H508-W598 PolarHBondContact ND1-NE1 2.91Å; H508-W598 VanDerWaalsContact ND1-NE1 3.11Å; A511-W598 HydrophobicContact CB-CZ2 4.3Å; L515-W598 HydrophobicContact CD1-CH2 3.98Å; L515-W598 HydrophobicContact CD1-CZ3 3.85Å; F556-W598 HydrophobicContact CD1-CZ3 4.48Å; F556-W598 HydrophobicContact CE1-CE3 4.05Å; F556-W598 AromaticContact CE1-CZ3 3.7Å; F556-W598 HydrophobicContact CE1-CZ3 3.7Å; F556-W598 AromaticContact CE2-CE3 3.6Å; F556-W598 HydrophobicContact CE2-CE3 3.6Å; F556-W598 AromaticContact CE2-CZ3 3.87Å; F556-W598 HydrophobicContact CE2-CZ3 3.87Å; F556-W598 AromaticContact CZ-CE3 3.26Å; F556-W598 HydrophobicContact CZ-CE3 3.26Å; F556-W598 AromaticContact CZ-CZ3 3.39Å; F556-W598 HydrophobicContact CZ-CZ3 3.39Å; L594-W598 PolarHBondContact O-N 3.45Å; L595-W598 PolarHBondContact O-N 3.08Å; W598-S601 PolarHBondContact O-N 3.39Å; W598-F602 VanDerWaalsContact O-CB 3.24Å; W598-F602 WeakPolarHBondContact O-CB 3.13Å; W598-F602 PolarHBondContact O-N 2.81Å
599	G	98.2	Very high	95.4	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-43.8	175.1	0	0	0	0	0	113.5	L595 L596 L597 G603	L595-G599 PolarHBondContact O-N 2.95Å; L596-G599 PolarHBondContact O-N 2.85Å; L597-G599 VanDerWaalsContact C-N 3.31Å; L597-G599 PolarHBondContact O-N 2.88Å; G599-G603 PolarHBondContact O-N 2.88Å
600	I	97.7	Very high	95.7	Very high	81 Å²	81	53 Å²	53	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-50	175.3	-69	166.5	0	0	0	110.1	L563 L596 L597 F602 G603 L604	L563-I600 HydrophobicContact CD1-CG2 4.32Å; L596-I600 HydrophobicContact CD1-CD1 4.19Å; L596-I600 HydrophobicContact CD1-CG1 4.4Å; L596-I600 HydrophobicContact CG-CD1 4Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 3.49Å; L597-I600 PolarHBondContact O-N 3.02Å; I600-F602 VanDerWaalsContact C-N 3.3Å; I600-F602 PolarHBondContact O-N 3.16Å; I600-G603 PolarHBondContact O-N 2.97Å; I600-L604 HydrophobicContact CG2-CD1 3.93Å; I600-L604 HydrophobicContact CG2-CG 4.35Å; I600-L604 VanDerWaalsContact O-CG 3.31Å; I600-L604 WeakPolarHBondContact O-CG 3.22Å; I600-L604 PolarHBondContact O-N 2.83Å
601	S	97.6	Very high	95.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-40.5	-178.7	-51.5	0	0	0	0	111.6	S560 L597 W598 L604 A605	S560-S601 WeakPolarHBondContact CA-OG 3.41Å; L597-S601 WeakPolarHBondContact O-CB 3.48Å; L597-S601 PolarHBondContact O-N 3.42Å; L597-S601 PolarHBondContact O-OG 3.34Å; W598-S601 PolarHBondContact O-N 3.39Å; S601-L604 PolarHBondContact O-N 3.23Å; S601-A605 WeakPolarHBondContact O-CB 3.25Å; S601-A605 PolarHBondContact O-N 2.98Å
602	F	98.2	Very high	95.7	Very high	107 Å²	107	59.8 Å²	59.8	47%	0.469	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-48	175	179.1	-86.5	0	0	0	110.9	F552 F556 W598 I600 L604 A605 A606	F552-F602 HydrophobicContact CE2-CD2 4.03Å; F552-F602 AromaticContact CE2-CE2 3.98Å; F552-F602 HydrophobicContact CE2-CE2 3.98Å; F552-F602 AromaticContact CZ-CD2 3.57Å; F552-F602 HydrophobicContact CZ-CD2 3.57Å; F552-F602 AromaticContact CZ-CE2 3.52Å; F552-F602 HydrophobicContact CZ-CE2 3.52Å; F552-F602 HydrophobicContact CZ-CZ 4.45Å; F556-F602 HydrophobicContact CD2-CB 4.35Å; F556-F602 HydrophobicContact CE1-CD2 4.44Å; F556-F602 HydrophobicContact CE2-CB 3.69Å; F556-F602 HydrophobicContact CE2-CD2 4.5Å; F556-F602 VanDerWaalsContact CE2-N 3.34Å; F556-F602 HydrophobicContact CZ-CB 4.01Å; F556-F602 HydrophobicContact CZ-CD2 4.12Å; W598-F602 VanDerWaalsContact O-CB 3.24Å; W598-F602 WeakPolarHBondContact O-CB 3.13Å; W598-F602 PolarHBondContact O-N 2.81Å; I600-F602 VanDerWaalsContact C-N 3.3Å; I600-F602 PolarHBondContact O-N 3.16Å; F602-L604 VanDerWaalsContact C-N 3.3Å; F602-L604 PolarHBondContact O-N 3.04Å; F602-A605 PolarHBondContact O-N 2.94Å; F602-A606 HydrophobicContact CD1-CB 4.31Å; F602-A606 HydrophobicContact CE1-CB 3.99Å; F602-A606 HydrophobicContact CZ-CB 4.37Å; F602-A606 WeakPolarHBondContact O-CB 3.42Å; F602-A606 PolarHBondContact O-N 3.06Å
603	G	97.6	Very high	95.6	Very high	37 Å²	37	60.3 Å²	60.3	38%	0.381	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-41.1	178.5	0	0	0	0	0	112.4	G599 I600 A607	G599-G603 PolarHBondContact O-N 2.88Å; I600-G603 PolarHBondContact O-N 2.97Å; G603-A607 VanDerWaalsContact O-CB 3.31Å; G603-A607 WeakPolarHBondContact O-CB 2.98Å; G603-A607 PolarHBondContact O-N 3.41Å
604	L	96.2	Very high	95.6	Very high	42 Å²	42	60.4 Å²	60.4	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-66	-45.9	175.1	-65.4	174.1	0	0	0	111.6	I600 S601 F602 A606 P608 Y641 L645	I600-L604 HydrophobicContact CG2-CD1 3.93Å; I600-L604 HydrophobicContact CG2-CG 4.35Å; I600-L604 VanDerWaalsContact O-CG 3.31Å; I600-L604 WeakPolarHBondContact O-CG 3.22Å; I600-L604 PolarHBondContact O-N 2.83Å; S601-L604 PolarHBondContact O-N 3.23Å; F602-L604 VanDerWaalsContact C-N 3.3Å; F602-L604 PolarHBondContact O-N 3.04Å; L604-A606 VanDerWaalsContact C-N 3.35Å; L604-A606 PolarHBondContact O-N 3.1Å; L604-P608 WeakPolarHBondContact O-CD 3.27Å; L604-Y641 VanDerWaalsContact CA-OH 3.23Å; L604-Y641 WeakPolarHBondContact CA-OH 2.99Å; L604-Y641 PolarHBondContact O-OH 2.94Å; L604-L645 HydrophobicContact CB-CD2 4.09Å; L604-L645 HydrophobicContact CD1-CD2 3.85Å; L604-L645 HydrophobicContact CD2-CD2 4.04Å; L604-L645 HydrophobicContact CG-CD2 4.19Å
605	A	97.7	Very high	95.4	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-33.7	178.2	0	0	0	0	0	113.2	F552 T555 F556 S601 F602 P608 Y620	F552-A605 HydrophobicContact CD2-CB 3.6Å; F552-A605 HydrophobicContact CE2-CB 3.62Å; F552-A605 HydrophobicContact CG-CB 4.45Å; F552-A605 HydrophobicContact CZ-CB 4.49Å; T555-A605 HydrophobicContact CG2-CB 4.07Å; F556-A605 HydrophobicContact CB-CB 3.68Å; F556-A605 HydrophobicContact CG-CB 4.45Å; S601-A605 WeakPolarHBondContact O-CB 3.25Å; S601-A605 PolarHBondContact O-N 2.98Å; F602-A605 PolarHBondContact O-N 2.94Å; A605-P608 WeakPolarHBondContact O-CD 3.35Å; A605-Y620 PolarHBondContact O-OH 3.08Å
606	A	97.3	Very high	95	Very high	21 Å²	21	57 Å²	57	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-82.5	-24	-178.3	0	0	0	0	0	113.4	F552 F602 L604 L609	F552-A606 HydrophobicContact CD2-CB 4.39Å; F552-A606 HydrophobicContact CE2-CB 4.03Å; F602-A606 HydrophobicContact CD1-CB 4.31Å; F602-A606 HydrophobicContact CE1-CB 3.99Å; F602-A606 HydrophobicContact CZ-CB 4.37Å; F602-A606 WeakPolarHBondContact O-CB 3.42Å; F602-A606 PolarHBondContact O-N 3.06Å; L604-A606 VanDerWaalsContact C-N 3.35Å; L604-A606 PolarHBondContact O-N 3.1Å; A606-L609 VanDerWaalsContact O-CB 3.31Å; A606-L609 WeakPolarHBondContact O-CB 3.36Å; A606-L609 PolarHBondContact O-N 3.29Å
607	A	96.2	Very high	94.4	Very high	25 Å²	25	56.5 Å²	56.5	21%	0.207	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-55	-42.7	-176.5	0	0	0	0	0	113.8	G603 L609 L610 F615	G603-A607 VanDerWaalsContact O-CB 3.31Å; G603-A607 WeakPolarHBondContact O-CB 2.98Å; G603-A607 PolarHBondContact O-N 3.41Å; A607-L609 PolarHBondContact O-N 3.13Å; A607-L610 WeakPolarHBondContact O-CB 3.28Å; A607-L610 PolarHBondContact O-N 3.41Å; A607-L610 VanDerWaalsContact O-N 3.17Å; A607-F615 WeakPolarHBondContact O-CE2 3.49Å
608	P	95.5	Very high	94	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.078	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-70.1	-10.2	176.4	-19.4	33.1	0	0	0	115.5	L604 A605 L610 F615 F619 Y620 Y641	L604-P608 WeakPolarHBondContact O-CD 3.27Å; A605-P608 WeakPolarHBondContact O-CD 3.35Å; P608-L610 VanDerWaalsContact C-N 3.34Å; P608-F615 HydrophobicContact CB-CD1 4.1Å; P608-F615 HydrophobicContact CB-CD2 4.44Å; P608-F615 HydrophobicContact CB-CE1 4.28Å; P608-F615 HydrophobicContact CB-CG 4.21Å; P608-F615 HydrophobicContact CG-CD1 4.41Å; P608-F615 HydrophobicContact CG-CE1 4.11Å; P608-F615 HydrophobicContact CG-CZ 4.29Å; P608-F619 HydrophobicContact CB-CB 3.87Å; P608-F619 HydrophobicContact CB-CD1 3.25Å; P608-F619 HydrophobicContact CB-CD2 4.45Å; P608-F619 HydrophobicContact CB-CE1 3.81Å; P608-F619 HydrophobicContact CB-CG 3.61Å; P608-F619 HydrophobicContact CG-CD1 3.7Å; P608-F619 HydrophobicContact CG-CE1 3.7Å; P608-F619 HydrophobicContact CG-CG 4.37Å; P608-F619 HydrophobicContact CG-CZ 4.41Å; P608-Y620 HydrophobicContact CB-CE2 4.12Å; P608-Y620 HydrophobicContact CG-CE2 4.46Å; P608-Y641 HydrophobicContact CG-CD1 4.11Å; P608-Y641 HydrophobicContact CG-CE1 3.62Å
609	L	94.6	Very high	93.8	Very high	84 Å²	84	57.6 Å²	57.6	44%	0.44	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-83.5	-14.2	173.6	-57.2	178.3	0	0	0	112.3	A548 F552 A606 A607 Y620	A548-L609 HydrophobicContact CB-CD2 3.89Å; F552-L609 HydrophobicContact CB-CD1 4.14Å; F552-L609 HydrophobicContact CD2-CD1 4.03Å; F552-L609 HydrophobicContact CG-CD1 4.28Å; A606-L609 VanDerWaalsContact O-CB 3.31Å; A606-L609 WeakPolarHBondContact O-CB 3.36Å; A606-L609 PolarHBondContact O-N 3.29Å; A607-L609 PolarHBondContact O-N 3.13Å; L609-Y620 HydrophobicContact CD2-CD2 3.77Å; L609-Y620 HydrophobicContact CD2-CE2 3.78Å; L609-Y620 HydrophobicContact CG-CE2 4.18Å
610	L	92.9	Very high	93.6	Very high	116 Å²	116	55.8 Å²	55.8	61%	0.607	32%	0.324	S	S	*	.	S	Bend	trans	-76.3	138.5	176.5	-62.4	173.1	0	0	0	109.6	A607 P608 N612	A607-L610 WeakPolarHBondContact O-CB 3.28Å; A607-L610 PolarHBondContact O-N 3.41Å; A607-L610 VanDerWaalsContact O-N 3.17Å; P608-L610 VanDerWaalsContact C-N 3.34Å; L610-N612 PolarHBondContact O-N 3.12Å
611	P	89.5	Confident	93.3	Very high	134 Å²	134	52.1 Å²	52.1	87%	0.87	31%	0.306	S	S	*	.			trans	-65.6	99.9	179.3	26.3	-33.3	0	0	0	110.2
612	N	90.6	Very high	92.8	Very high	73 Å²	73	54.2 Å²	54.2	39%	0.39	32%	0.318	S	S	.	.			trans	-139.6	124.1	178.3	-177.6	-15.1	0	0	0	109.3	L610 Y614 F615	L610-N612 PolarHBondContact O-N 3.12Å; N612-Y614 PolarHBondContact O-N 3.33Å; N612-Y614 WeakPolarHBondContact OD1-CB 3.13Å; N612-Y614 PolarHBondContact OD1-N 3.46Å; N612-F615 HydrophobicContact CB-CD2 4Å; N612-F615 PolarHBondContact O-N 3.24Å
613	P	90.9	Very high	92.3	Very high	116 Å²	116	49.3 Å²	49.3	75%	0.753	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-51.4	-29.1	178.2	-28	34.7	0	0	0	114.7	F615 G616	P613-F615 VanDerWaalsContact C-N 3.33Å; P613-F615 PolarHBondContact O-N 2.85Å; P613-G616 PolarHBondContact O-N 2.06Å
614	Y	93.5	Very high	91.8	Very high	90 Å²	90	47.5 Å²	47.5	35%	0.353	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.1	-40.1	177.5	174	-103.3	0	0	0	113.3	N612 G638 E640 Y641	N612-Y614 PolarHBondContact O-N 3.33Å; N612-Y614 WeakPolarHBondContact OD1-CB 3.13Å; N612-Y614 PolarHBondContact OD1-N 3.46Å; Y614-G638 PolarHBondContact O-N 3.3Å; Y614-E640 VanDerWaalsContact CE2-OE2 3.32Å; Y614-E640 WeakPolarHBondContact CE2-OE2 3.4Å; Y614-E640 WeakPolarHBondContact OH-CB 3.35Å; Y614-E640 PolarHBondContact OH-OE2 2.78Å; Y614-Y641 PolarHBondContact OH-N 3.12Å; Y614-Y641 VanDerWaalsContact OH-N 3.16Å
615	F	91.7	Very high	91.7	Very high	16 Å²	16	45.6 Å²	45.6	7%	0.07	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-84.6	-11.3	-179.9	-68.2	-57.5	0	0	0	113.3	A607 P608 N612 P613 F619 Y641	A607-F615 WeakPolarHBondContact O-CE2 3.49Å; P608-F615 HydrophobicContact CB-CD1 4.1Å; P608-F615 HydrophobicContact CB-CD2 4.44Å; P608-F615 HydrophobicContact CB-CE1 4.28Å; P608-F615 HydrophobicContact CB-CG 4.21Å; P608-F615 HydrophobicContact CG-CD1 4.41Å; P608-F615 HydrophobicContact CG-CE1 4.11Å; P608-F615 HydrophobicContact CG-CZ 4.29Å; N612-F615 HydrophobicContact CB-CD2 4Å; N612-F615 PolarHBondContact O-N 3.24Å; P613-F615 VanDerWaalsContact C-N 3.33Å; P613-F615 PolarHBondContact O-N 2.85Å; F615-F619 HydrophobicContact CB-CB 4.19Å; F615-F619 HydrophobicContact CB-CD2 4.35Å; F615-F619 AromaticContact CD1-CD2 3.8Å; F615-F619 HydrophobicContact CD1-CD2 3.8Å; F615-F619 HydrophobicContact CD1-CE2 4.05Å; F615-F619 HydrophobicContact CD1-CG 4.3Å; F615-Y641 AromaticContact CE1-CD1 3.69Å; F615-Y641 HydrophobicContact CE1-CD1 3.69Å; F615-Y641 HydrophobicContact CE1-CD2 4.04Å; F615-Y641 HydrophobicContact CE1-CE1 4.28Å; F615-Y641 AromaticContact CE1-CG 3.56Å; F615-Y641 HydrophobicContact CE1-CG 3.56Å; F615-Y641 HydrophobicContact CZ-CD1 4.26Å; F615-Y641 HydrophobicContact CZ-CD2 4.05Å; F615-Y641 HydrophobicContact CZ-CE1 4.49Å; F615-Y641 HydrophobicContact CZ-CE2 4.3Å; F615-Y641 HydrophobicContact CZ-CG 4.05Å
616	G	86.7	Confident	91.5	Very high	23 Å²	23	45.6 Å²	45.6	24%	0.237	27%	0.268	C	S	.	.			trans	74.5	-168.8	-168.5	0	0	0	0	0	112.6	P613	P613-G616 PolarHBondContact O-N 2.06Å
617	S	85.1	Confident	91.3	Very high	106 Å²	106	44.6 Å²	44.6	74%	0.741	26%	0.26	S	S	*	.	S	Bend	trans	-76.5	-39.1	-179.8	44.1	0	0	0	0	112.6
618	H	88.9	Confident	91.1	Very high	74 Å²	74	43.4 Å²	43.4	34%	0.343	25%	0.25	S	S	.	.			trans	-138.6	76.1	-173.5	-56.2	105.8	0	0	0	111.6	H543 Y620 G621	H543-H618 AromaticContact CD2-CE1 3.99Å; H543-H618 AromaticContact CD2-ND1 3.95Å; H543-H618 AromaticContact CE1-CG 3.87Å; H543-H618 AromaticContact CE1-ND1 3.36Å; H543-H618 PolarHBondContact CE1-ND1 2.02Å; H543-H618 AromaticContact CG-CE1 3.43Å; H543-H618 VanDerWaalsContact CG-CE1 3.43Å; H543-H618 AromaticContact CG-CG 3.84Å; H543-H618 AromaticContact CG-ND1 3.38Å; H543-H618 AromaticContact CG-NE2 3.94Å; H543-H618 AromaticContact ND1-CD2 3.88Å; H543-H618 AromaticContact ND1-CE1 3.55Å; H543-H618 AromaticContact ND1-CG 3.19Å; H543-H618 AromaticContact ND1-ND1 2.97Å; H543-H618 PolarHBondContact ND1-ND1 3.49Å; H543-H618 AromaticContact NE2-ND1 3.9Å; H618-Y620 PolarHBondContact O-N 3.11Å; H618-G621 CarbonylContact O-C 3.31Å; H618-G621 PolarHBondContact O-N 3.1Å
619	F	93.6	Very high	90.7	Very high	9 Å²	9	43 Å²	43	4%	0.039	25%	0.247	C	C	.	.	S	Bend	trans	-58.2	-45.6	-176.9	176.9	-99.7	0	0	0	114.4	P608 F615 S628 H630 Y641	P608-F619 HydrophobicContact CB-CB 3.87Å; P608-F619 HydrophobicContact CB-CD1 3.25Å; P608-F619 HydrophobicContact CB-CD2 4.45Å; P608-F619 HydrophobicContact CB-CE1 3.81Å; P608-F619 HydrophobicContact CB-CG 3.61Å; P608-F619 HydrophobicContact CG-CD1 3.7Å; P608-F619 HydrophobicContact CG-CE1 3.7Å; P608-F619 HydrophobicContact CG-CG 4.37Å; P608-F619 HydrophobicContact CG-CZ 4.41Å; F615-F619 HydrophobicContact CB-CB 4.19Å; F615-F619 HydrophobicContact CB-CD2 4.35Å; F615-F619 AromaticContact CD1-CD2 3.8Å; F615-F619 HydrophobicContact CD1-CD2 3.8Å; F615-F619 HydrophobicContact CD1-CE2 4.05Å; F615-F619 HydrophobicContact CD1-CG 4.3Å; F619-S628 VanDerWaalsContact CE1-CB 3.41Å; F619-H630 AromaticContact CD2-CE1 3.67Å; F619-H630 AromaticContact CE2-CE1 3.27Å; F619-H630 WeakPolarHBondContact CE2-CE1 3.22Å; F619-H630 AromaticContact CE2-NE2 3.87Å; F619-H630 AromaticContact CZ-CE1 3.82Å; F619-H630 PolarHBondContact O-NE2 3Å; F619-H630 VanDerWaalsContact O-NE2 3.17Å; F619-Y641 HydrophobicContact CZ-CD1 4.07Å
620	Y	94.7	Very high	90.3	Very high	5 Å²	5	39 Å²	39	2%	0.02	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-73.7	-33.3	178.3	-72.9	-64.7	0	0	0	112	G551 F552 T555 A605 P608 L609 H618 N622 C626	G551-Y620 VanDerWaalsContact CA-CD1 3.45Å; G551-Y620 WeakPolarHBondContact O-CE1 3.25Å; F552-Y620 HydrophobicContact CB-CE2 4.42Å; T555-Y620 WeakPolarHBondContact OG1-CE1 3.15Å; A605-Y620 PolarHBondContact O-OH 3.08Å; P608-Y620 HydrophobicContact CB-CE2 4.12Å; P608-Y620 HydrophobicContact CG-CE2 4.46Å; L609-Y620 HydrophobicContact CD2-CD2 3.77Å; L609-Y620 HydrophobicContact CD2-CE2 3.78Å; L609-Y620 HydrophobicContact CG-CE2 4.18Å; H618-Y620 PolarHBondContact O-N 3.11Å; Y620-N622 PolarHBondContact O-N 3.19Å; Y620-C626 CarbonylContact O-C 3.35Å; Y620-C626 VanDerWaalsContact O-C 3.26Å; Y620-C626 WeakPolarHBondContact O-CA 3.12Å
621	G	90.4	Very high	89.8	Confident	4 Å²	4	33.7 Å²	33.7	4%	0.041	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-75.5	30	177.5	0	0	0	0	0	114.2	R542 H618 N623	R542-G621 VanDerWaalsContact CZ-O 3.25Å; R542-G621 PolarHBondContact NE-O 3.38Å; R542-G621 PolarHBondContact NH2-O 2.78Å; R542-G621 VanDerWaalsContact O-CA 3.31Å; R542-G621 WeakPolarHBondContact O-CA 3.29Å; H618-G621 CarbonylContact O-C 3.31Å; H618-G621 PolarHBondContact O-N 3.1Å; G621-N623 VanDerWaalsContact C-N 3.34Å
622	N	86.2	Confident	89	Confident	45 Å²	45	31.6 Å²	31.6	24%	0.241	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-84.5	-8	176.3	-158.9	46.4	0	0	0	113.6	R542 Y620 A636	R542-N622 PolarHBondContact NH2-O 3.15Å; Y620-N622 PolarHBondContact O-N 3.19Å; N622-A636 WeakPolarHBondContact ND2-CB 3.42Å
623	N	87.8	Confident	88.5	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.167	C	C	.	.	S	Bend	trans	-148.6	165.3	173.6	52.1	70.5	0	0	0	109.8	G621 V625 C626 L627 Y722	G621-N623 VanDerWaalsContact C-N 3.34Å; N623-V625 VanDerWaalsContact C-N 3.26Å; N623-V625 PolarHBondContact O-N 2.93Å; N623-V625 VanDerWaalsContact OD1-CG2 3.27Å; N623-V625 WeakPolarHBondContact OD1-CG2 3.5Å; N623-V625 PolarHBondContact OD1-N 2.7Å; N623-C626 PolarHBondContact O-N 3.35Å; N623-C626 PolarHBondContact OD1-N 3.06Å; N623-L627 PolarHBondContact ND2-O 3.19Å; N623-L627 PolarHBondContact OD1-N 3.31Å; N623-Y722 PolarHBondContact ND2-OH 3.41Å
624	G	88.9	Confident	88.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.2	-177.6	0	0	0	0	0	115.8	D455 Y534 W541	D455-G624 PolarHBondContact OD2-N 2.97Å; Y534-G624 WeakPolarHBondContact OH-CA 3.25Å; W541-G624 PolarHBondContact NE1-O 3.47Å
625	V	93.1	Very high	87.8	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	9.6	-178.8	-63.1	0	0	0	0	114.3	I457 L463 L464 Y519 I523 N623 L627 A726	I457-V625 HydrophobicContact CD1-CG1 4.27Å; I457-V625 HydrophobicContact CD1-CG2 3.68Å; I457-V625 HydrophobicContact CG2-CG1 3.8Å; L463-V625 HydrophobicContact CD2-CG1 4.07Å; L464-V625 HydrophobicContact CD2-CG1 3.86Å; Y519-V625 WeakPolarHBondContact CE2-O 3.35Å; Y519-V625 PolarHBondContact OH-O 2.99Å; I523-V625 HydrophobicContact CG2-CG1 4.19Å; N623-V625 VanDerWaalsContact C-N 3.26Å; N623-V625 PolarHBondContact O-N 2.93Å; N623-V625 VanDerWaalsContact OD1-CG2 3.27Å; N623-V625 WeakPolarHBondContact OD1-CG2 3.5Å; N623-V625 PolarHBondContact OD1-N 2.7Å; V625-L627 VanDerWaalsContact C-N 3.26Å; V625-L627 HydrophobicContact CG2-CB 4.07Å; V625-L627 PolarHBondContact O-N 3.48Å; V625-A726 HydrophobicContact CG2-CB 4.45Å
626	C	94.2	Very high	87.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.			trans	60.6	27.2	173.8	-48.8	0	0	0	0	114.9	C547 A550 G551 Y620 N623	C547-C626 WeakPolarHBondContact CA-SG 3.46Å; C547-C626 HydrophobicContact CB-CB 4.21Å; C547-C626 WeakPolarHBondContact CB-SG 3.45Å; C547-C626 VanDerWaalsContact O-CB 3.3Å; C547-C626 WeakPolarHBondContact O-CB 3.34Å; C547-C626 WeakPolarHBondContact SG-CB 3.13Å; C547-C626 CovalentContact SG-SG 2.03Å; C547-C626 PolarHBondContact SG-SG 2.66Å; A550-C626 HydrophobicContact CB-CB 4.35Å; G551-C626 WeakPolarHBondContact CA-O 3.3Å; Y620-C626 CarbonylContact O-C 3.35Å; Y620-C626 VanDerWaalsContact O-C 3.26Å; Y620-C626 WeakPolarHBondContact O-CA 3.12Å; N623-C626 PolarHBondContact O-N 3.35Å; N623-C626 PolarHBondContact OD1-N 3.06Å
627	L	92.3	Very high	87.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.			trans	-92.2	130.9	-171.9	-172.9	69.1	0	0	0	112	S554 N623 V625 L629 A726 L730	S554-L627 WeakPolarHBondContact OG-CD1 3.34Å; N623-L627 PolarHBondContact ND2-O 3.19Å; N623-L627 PolarHBondContact OD1-N 3.31Å; V625-L627 VanDerWaalsContact C-N 3.26Å; V625-L627 HydrophobicContact CG2-CB 4.07Å; V625-L627 PolarHBondContact O-N 3.48Å; L627-L629 HydrophobicContact CD2-CB 3.7Å; L627-L629 HydrophobicContact CD2-CD2 4.02Å; L627-L629 HydrophobicContact CG-CB 3.85Å; L627-L629 PolarHBondContact O-N 2.98Å; L627-L629 VanDerWaalsContact O-N 3.12Å; L627-A726 HydrophobicContact CD2-CB 3.85Å; L627-L730 HydrophobicContact CD1-CD2 3.64Å; L627-L730 HydrophobicContact CD2-CD2 4.07Å
628	S	91.9	Very high	87.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	13	179.2	53.9	0	0	0	0	115.8	T555 F619 S642 F646	T555-S628 PolarHBondContact OG1-OG 2.94Å; F619-S628 VanDerWaalsContact CE1-CB 3.41Å; S628-S642 VanDerWaalsContact O-CB 3.24Å; S628-S642 WeakPolarHBondContact O-CB 3.47Å; S628-S642 PolarHBondContact O-OG 2.79Å; S628-F646 WeakPolarHBondContact O-CE2 3.28Å; S628-F646 WeakPolarHBondContact OG-CE2 3.17Å; S628-F646 WeakPolarHBondContact OG-CZ 3.44Å
629	L	87.1	Confident	88.1	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.7	-175.6	-174.4	58.9	0	0	0	112.7	L627 I631 S642 F646 I704 K708	L627-L629 HydrophobicContact CD2-CB 3.7Å; L627-L629 HydrophobicContact CD2-CD2 4.02Å; L627-L629 HydrophobicContact CG-CB 3.85Å; L627-L629 PolarHBondContact O-N 2.98Å; L627-L629 VanDerWaalsContact O-N 3.12Å; L629-I631 HydrophobicContact CD2-CD1 3.42Å; L629-I631 VanDerWaalsContact CD2-CD1 3.42Å; L629-I631 HydrophobicContact CD2-CG1 4.18Å; L629-I631 HydrophobicContact CG-CD1 3.72Å; L629-I631 HydrophobicContact CG-CG1 3.92Å; L629-I631 PolarHBondContact O-N 2.85Å; L629-S642 PolarHBondContact O-OG 3.49Å; L629-F646 HydrophobicContact CD1-CB 3.57Å; L629-F646 HydrophobicContact CD1-CD1 4.21Å; L629-F646 HydrophobicContact CD1-CD2 4.02Å; L629-F646 HydrophobicContact CD1-CG 3.66Å; L629-I704 HydrophobicContact CD1-CG2 3.71Å; L629-I704 HydrophobicContact CD2-CG2 3.65Å; L629-I704 HydrophobicContact CG-CG2 4.3Å; L629-K708 WeakPolarHBondContact O-CD 3.2Å; L629-K708 WeakPolarHBondContact O-CE 3.3Å; L629-K708 PolarHBondContact O-NZ 2.81Å
630	H	86.1	Confident	88.1	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.009	14%	0.141	C	C	.	.			trans	50.9	48.2	174.1	-62.8	179.6	0	0	0	113.3	F619 D633 P634 K708	F619-H630 AromaticContact CD2-CE1 3.67Å; F619-H630 AromaticContact CE2-CE1 3.27Å; F619-H630 WeakPolarHBondContact CE2-CE1 3.22Å; F619-H630 AromaticContact CE2-NE2 3.87Å; F619-H630 AromaticContact CZ-CE1 3.82Å; F619-H630 PolarHBondContact O-NE2 3Å; F619-H630 VanDerWaalsContact O-NE2 3.17Å; H630-D633 CarbonylContact O-C 3.41Å; H630-P634 VanDerWaalsContact O-CA 3.31Å; H630-P634 WeakPolarHBondContact O-CA 3.3Å; H630-K708 PolarHBondContact O-NZ 2.83Å
631	I	82.3	Confident	88.1	Confident	4 Å²	4	32 Å²	32	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-79	-43.4	177.5	-77.5	164.4	0	0	0	111.3	L629 V707 K708 I717 Y722 L725	L629-I631 HydrophobicContact CD2-CD1 3.42Å; L629-I631 VanDerWaalsContact CD2-CD1 3.42Å; L629-I631 HydrophobicContact CD2-CG1 4.18Å; L629-I631 HydrophobicContact CG-CD1 3.72Å; L629-I631 HydrophobicContact CG-CG1 3.92Å; L629-I631 PolarHBondContact O-N 2.85Å; I631-V707 HydrophobicContact CD1-CG1 4.21Å; I631-V707 HydrophobicContact CG2-CG1 4.12Å; I631-K708 HydrophobicContact CG1-CB 4.36Å; I631-K708 HydrophobicContact CG1-CD 3.96Å; I631-I717 HydrophobicContact CG2-CG2 4.3Å; I631-Y722 HydrophobicContact CB-CD2 3.56Å; I631-Y722 HydrophobicContact CB-CE2 3.78Å; I631-Y722 HydrophobicContact CB-CG 4.39Å; I631-Y722 HydrophobicContact CD1-CD2 4.09Å; I631-Y722 HydrophobicContact CD1-CE2 4.4Å; I631-Y722 HydrophobicContact CG1-CD2 4.4Å; I631-Y722 HydrophobicContact CG2-CD2 3.74Å; I631-Y722 HydrophobicContact CG2-CE2 4.45Å; I631-Y722 HydrophobicContact CG2-CG 4.19Å; I631-L725 HydrophobicContact CD1-CD1 4.4Å
632	H	73.2	Confident	88.3	Confident	90 Å²	90	31.9 Å²	31.9	42%	0.417	14%	0.144	S	C	.	.	S	Bend	trans	-62.9	-44.9	-179.5	178.7	10.4	0	0	0	112.1	D455 P634 Y722	D455-H632 PolarHBondContact O-CD2 3.03Å; H632-P634 WeakPolarHBondContact O-CD 3.47Å; H632-Y722 HydrophobicContact CB-CD1 4.19Å; H632-Y722 HydrophobicContact CB-CE1 4.03Å
633	D	80.6	Confident	88.7	Confident	34 Å²	34	30.4 Å²	30.4	18%	0.182	14%	0.138	C	C	.	.	S	Bend	trans	-114.1	87.7	172.1	-179.2	9.3	0	0	0	109.3	W437 H630 Y635 A636	W437-D633 HydrophobicContact CH2-CB 4.22Å; W437-D633 HydrophobicContact CZ3-CB 4.23Å; H630-D633 CarbonylContact O-C 3.41Å; D633-Y635 PolarHBondContact O-N 3.25Å; D633-Y635 PolarHBondContact OD1-N 2.84Å; D633-A636 HydrophobicContact CB-CB 4.25Å; D633-A636 PolarHBondContact O-N 2.8Å; D633-A636 PolarHBondContact OD1-N 2.8Å; D633-A636 WeakPolarHBondContact OD2-CA 2.89Å; D633-A636 VanDerWaalsContact OD2-CB 3.29Å; D633-A636 WeakPolarHBondContact OD2-CB 3.32Å
634	P	82.9	Confident	89.1	Confident	22 Å²	22	33.8 Å²	33.8	14%	0.143	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18	-172.5	26.3	-33.6	0	0	0	114	H630 H632 W639 A711 L712	H630-P634 VanDerWaalsContact O-CA 3.31Å; H630-P634 WeakPolarHBondContact O-CA 3.3Å; H632-P634 WeakPolarHBondContact O-CD 3.47Å; P634-W639 WeakPolarHBondContact O-CB 3.44Å; P634-A711 HydrophobicContact CB-CB 4.19Å; P634-L712 HydrophobicContact CB-CD2 4.08Å
635	Y	86.5	Confident	89.2	Confident	128 Å²	128	33.9 Å²	33.9	50%	0.502	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	20.1	-177.2	-59	-70.3	0	0	0	113.1	D633 W639 L712	D633-Y635 PolarHBondContact O-N 3.25Å; D633-Y635 PolarHBondContact OD1-N 2.84Å; Y635-W639 HydrophobicContact CD1-CD2 4.12Å; Y635-W639 HydrophobicContact CD1-CZ2 4.33Å; Y635-L712 HydrophobicContact CD1-CD2 4.44Å; Y635-L712 HydrophobicContact CE1-CD2 3.97Å; Y635-L712 PolarHBondContact OH-O 3Å
636	A	85.6	Confident	89.2	Confident	7 Å²	7	34 Å²	34	6%	0.058	16%	0.157	C	C	.	.	S	Bend	trans	-52.4	160.8	170.2	0	0	0	0	0	112.1	N622 D633 G638 W639	N622-A636 WeakPolarHBondContact ND2-CB 3.42Å; D633-A636 HydrophobicContact CB-CB 4.25Å; D633-A636 PolarHBondContact O-N 2.8Å; D633-A636 PolarHBondContact OD1-N 2.8Å; D633-A636 WeakPolarHBondContact OD2-CA 2.89Å; D633-A636 VanDerWaalsContact OD2-CB 3.29Å; D633-A636 WeakPolarHBondContact OD2-CB 3.32Å; A636-G638 PolarHBondContact O-N 2.96Å; A636-W639 VanDerWaalsContact O-CB 3.22Å; A636-W639 WeakPolarHBondContact O-CB 3.14Å; A636-W639 VanDerWaalsContact O-CD1 3.27Å; A636-W639 PolarHBondContact O-N 2.78Å
637	K	88.3	Confident	89.1	Confident	137 Å²	137	35.1 Å²	35.1	60%	0.596	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	130.1	175.9	-69.7	-178.6	-179.4	173.6	0	110.9
638	G	91.4	Very high	89.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	15.1	-175.4	0	0	0	0	0	114.7	Y614 A636 E640 Y641 S642	Y614-G638 PolarHBondContact O-N 3.3Å; A636-G638 PolarHBondContact O-N 2.96Å; G638-E640 PolarHBondContact O-N 3.21Å; G638-Y641 WeakPolarHBondContact O-CB 3.48Å; G638-Y641 PolarHBondContact O-N 3.29Å; G638-Y641 VanDerWaalsContact O-N 3.09Å; G638-S642 PolarHBondContact O-N 2.98Å; G638-S642 VanDerWaalsContact O-N 3.09Å
639	W	92.7	Very high	89.3	Confident	77 Å²	77	40.9 Å²	40.9	29%	0.292	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-32.8	179.3	71.7	-86	0	0	0	113.2	P634 Y635 A636 Y641 S642 A643 L712	P634-W639 WeakPolarHBondContact O-CB 3.44Å; Y635-W639 HydrophobicContact CD1-CD2 4.12Å; Y635-W639 HydrophobicContact CD1-CZ2 4.33Å; A636-W639 VanDerWaalsContact O-CB 3.22Å; A636-W639 WeakPolarHBondContact O-CB 3.14Å; A636-W639 VanDerWaalsContact O-CD1 3.27Å; A636-W639 PolarHBondContact O-N 2.78Å; W639-Y641 VanDerWaalsContact C-N 3.26Å; W639-Y641 PolarHBondContact O-N 2.94Å; W639-S642 WeakPolarHBondContact O-CB 3.44Å; W639-S642 PolarHBondContact O-N 3.49Å; W639-A643 HydrophobicContact CE3-CB 4.49Å; W639-A643 WeakPolarHBondContact O-CB 3.44Å; W639-A643 PolarHBondContact O-N 3.04Å; W639-L712 HydrophobicContact CE3-CD2 3.67Å; W639-L712 HydrophobicContact CZ3-CD2 3.78Å
640	E	94.5	Very high	89.4	Confident	84 Å²	84	40.8 Å²	40.8	39%	0.393	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-35.8	178	-50.7	85.6	166.8	0	0	110.7	Y614 G638 A643 L644	Y614-E640 VanDerWaalsContact CE2-OE2 3.32Å; Y614-E640 WeakPolarHBondContact CE2-OE2 3.4Å; Y614-E640 WeakPolarHBondContact OH-CB 3.35Å; Y614-E640 PolarHBondContact OH-OE2 2.78Å; G638-E640 PolarHBondContact O-N 3.21Å; E640-A643 PolarHBondContact O-N 3.47Å; E640-L644 VanDerWaalsContact O-CB 3.3Å; E640-L644 WeakPolarHBondContact O-CB 3.18Å; E640-L644 PolarHBondContact O-N 3.44Å
641	Y	95.1	Very high	89.8	Confident	31 Å²	31	42.8 Å²	42.8	12%	0.122	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-45.1	174.7	-173.9	-96.3	0	0	0	111.9	L604 P608 Y614 F615 F619 G638 W639 A643 L644 L645	L604-Y641 VanDerWaalsContact CA-OH 3.23Å; L604-Y641 WeakPolarHBondContact CA-OH 2.99Å; L604-Y641 PolarHBondContact O-OH 2.94Å; P608-Y641 HydrophobicContact CG-CD1 4.11Å; P608-Y641 HydrophobicContact CG-CE1 3.62Å; Y614-Y641 PolarHBondContact OH-N 3.12Å; Y614-Y641 VanDerWaalsContact OH-N 3.16Å; F615-Y641 AromaticContact CE1-CD1 3.69Å; F615-Y641 HydrophobicContact CE1-CD1 3.69Å; F615-Y641 HydrophobicContact CE1-CD2 4.04Å; F615-Y641 HydrophobicContact CE1-CE1 4.28Å; F615-Y641 AromaticContact CE1-CG 3.56Å; F615-Y641 HydrophobicContact CE1-CG 3.56Å; F615-Y641 HydrophobicContact CZ-CD1 4.26Å; F615-Y641 HydrophobicContact CZ-CD2 4.05Å; F615-Y641 HydrophobicContact CZ-CE1 4.49Å; F615-Y641 HydrophobicContact CZ-CE2 4.3Å; F615-Y641 HydrophobicContact CZ-CG 4.05Å; F619-Y641 HydrophobicContact CZ-CD1 4.07Å; G638-Y641 WeakPolarHBondContact O-CB 3.48Å; G638-Y641 PolarHBondContact O-N 3.29Å; G638-Y641 VanDerWaalsContact O-N 3.09Å; W639-Y641 VanDerWaalsContact C-N 3.26Å; W639-Y641 PolarHBondContact O-N 2.94Å; Y641-A643 PolarHBondContact O-N 3.34Å; Y641-L644 PolarHBondContact O-N 3.43Å; Y641-L645 HydrophobicContact CD1-CD1 3.96Å; Y641-L645 HydrophobicContact CD1-CG 4.32Å; Y641-L645 HydrophobicContact CE1-CD1 3.31Å; Y641-L645 HydrophobicContact CE1-CG 3.93Å; Y641-L645 WeakPolarHBondContact O-CG 3.34Å; Y641-L645 PolarHBondContact O-N 3.05Å
642	S	94.6	Very high	90.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.1	-49.3	172	175.5	0	0	0	0	111.3	S628 L629 G638 W639 L644 L645 F646	S628-S642 VanDerWaalsContact O-CB 3.24Å; S628-S642 WeakPolarHBondContact O-CB 3.47Å; S628-S642 PolarHBondContact O-OG 2.79Å; L629-S642 PolarHBondContact O-OG 3.49Å; G638-S642 PolarHBondContact O-N 2.98Å; G638-S642 VanDerWaalsContact O-N 3.09Å; W639-S642 WeakPolarHBondContact O-CB 3.44Å; W639-S642 PolarHBondContact O-N 3.49Å; S642-L644 PolarHBondContact O-N 2.97Å; S642-L645 PolarHBondContact O-N 2.73Å; S642-F646 VanDerWaalsContact O-CD2 3.31Å; S642-F646 WeakPolarHBondContact O-CD2 3.38Å; S642-F646 PolarHBondContact O-N 3.43Å
643	A	94.4	Very high	91.3	Very high	14 Å²	14	43.6 Å²	43.6	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-41.7	178.2	0	0	0	0	0	111.9	W639 E640 Y641 L645 I647 L648 L712	W639-A643 HydrophobicContact CE3-CB 4.49Å; W639-A643 WeakPolarHBondContact O-CB 3.44Å; W639-A643 PolarHBondContact O-N 3.04Å; E640-A643 PolarHBondContact O-N 3.47Å; Y641-A643 PolarHBondContact O-N 3.34Å; A643-L645 PolarHBondContact O-N 3.15Å; A643-I647 HydrophobicContact CB-CD1 4.03Å; A643-I647 WeakPolarHBondContact O-CA 3.5Å; A643-I647 WeakPolarHBondContact O-CB 3.31Å; A643-I647 PolarHBondContact O-N 3.22Å; A643-L648 PolarHBondContact O-N 3.36Å; A643-L712 HydrophobicContact CB-CD1 4.35Å
644	L	94.5	Very high	91.8	Very high	75 Å²	75	43 Å²	43	39%	0.393	21%	0.21	S	C	.	.	I	π-helix	trans	-57.7	-49.2	175.1	-177.2	159.2	0	0	0	111.2	E640 Y641 S642 L648 V649	E640-L644 VanDerWaalsContact O-CB 3.3Å; E640-L644 WeakPolarHBondContact O-CB 3.18Å; E640-L644 PolarHBondContact O-N 3.44Å; Y641-L644 PolarHBondContact O-N 3.43Å; S642-L644 PolarHBondContact O-N 2.97Å; L644-L648 HydrophobicContact CG-CD2 4.39Å; L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 PolarHBondContact O-N 3.17Å; L644-V649 HydrophobicContact CD2-CG2 3.93Å; L644-V649 WeakPolarHBondContact O-CG2 3.45Å; L644-V649 PolarHBondContact O-N 3.16Å
645	L	92.9	Very high	92.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.228	C	C	.	.	I	π-helix	trans	-67.3	-48.3	-177.6	-72.6	-171.4	0	0	0	112.8	T555 Q559 L604 Y641 S642 A643	T555-L645 HydrophobicContact CG2-CD1 4.03Å; Q559-L645 PolarHBondContact NE2-O 3Å; L604-L645 HydrophobicContact CB-CD2 4.09Å; L604-L645 HydrophobicContact CD1-CD2 3.85Å; L604-L645 HydrophobicContact CD2-CD2 4.04Å; L604-L645 HydrophobicContact CG-CD2 4.19Å; Y641-L645 HydrophobicContact CD1-CD1 3.96Å; Y641-L645 HydrophobicContact CD1-CG 4.32Å; Y641-L645 HydrophobicContact CE1-CD1 3.31Å; Y641-L645 HydrophobicContact CE1-CG 3.93Å; Y641-L645 WeakPolarHBondContact O-CG 3.34Å; Y641-L645 PolarHBondContact O-N 3.05Å; S642-L645 PolarHBondContact O-N 2.73Å; A643-L645 PolarHBondContact O-N 3.15Å
646	F	91.8	Very high	92.6	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	22%	0.216	C	C	.	.	I	π-helix	trans	-93.8	-24	-169.2	-65.8	-72.5	0	0	0	114.1	T555 C558 S628 L629 S642 N650 W701 I705	T555-F646 HydrophobicContact CG2-CZ 4.34Å; C558-F646 HydrophobicContact CB-CE1 4.26Å; S628-F646 WeakPolarHBondContact O-CE2 3.28Å; S628-F646 WeakPolarHBondContact OG-CE2 3.17Å; S628-F646 WeakPolarHBondContact OG-CZ 3.44Å; L629-F646 HydrophobicContact CD1-CB 3.57Å; L629-F646 HydrophobicContact CD1-CD1 4.21Å; L629-F646 HydrophobicContact CD1-CD2 4.02Å; L629-F646 HydrophobicContact CD1-CG 3.66Å; S642-F646 VanDerWaalsContact O-CD2 3.31Å; S642-F646 WeakPolarHBondContact O-CD2 3.38Å; S642-F646 PolarHBondContact O-N 3.43Å; F646-N650 WeakPolarHBondContact CA-ND2 3.28Å; F646-N650 WeakPolarHBondContact O-CB 3.43Å; F646-N650 PolarHBondContact O-ND2 3.14Å; F646-W701 AromaticContact CD1-CH2 3.68Å; F646-W701 HydrophobicContact CD1-CH2 3.68Å; F646-W701 AromaticContact CD1-CZ3 3.58Å; F646-W701 HydrophobicContact CD1-CZ3 3.58Å; F646-W701 AromaticContact CE1-CH2 3.88Å; F646-W701 HydrophobicContact CE1-CH2 3.88Å; F646-W701 HydrophobicContact CE1-CZ3 4.22Å; F646-I705 WeakPolarHBondContact O-CG1 3.39Å
647	I	93.3	Very high	92.8	Very high	24 Å²	24	43.2 Å²	43.2	12%	0.123	21%	0.214	C	C	.	.	I	π-helix	trans	-98.1	-65.1	174.5	-52.3	175.6	0	0	0	109.6	A643 T651 I705 K708 L709 L712	A643-I647 HydrophobicContact CB-CD1 4.03Å; A643-I647 WeakPolarHBondContact O-CA 3.5Å; A643-I647 WeakPolarHBondContact O-CB 3.31Å; A643-I647 PolarHBondContact O-N 3.22Å; I647-T651 WeakPolarHBondContact O-CB 3.41Å; I647-T651 PolarHBondContact O-N 2.71Å; I647-T651 PolarHBondContact O-OG1 3.12Å; I647-I705 HydrophobicContact CG2-CG2 4.2Å; I647-K708 HydrophobicContact CD1-CB 4.31Å; I647-K708 HydrophobicContact CD1-CG 3.6Å; I647-K708 HydrophobicContact CG1-CB 4.38Å; I647-K708 HydrophobicContact CG1-CG 3.89Å; I647-L709 HydrophobicContact CD1-CD2 3.95Å; I647-L709 HydrophobicContact CD1-CG 4.27Å; I647-L709 HydrophobicContact CG2-CD2 4.22Å; I647-L709 HydrophobicContact CG2-CG 4.45Å; I647-L712 HydrophobicContact CD1-CD1 3.72Å
648	L	94.5	Very high	92.8	Very high	92 Å²	92	42.1 Å²	42.1	48%	0.482	21%	0.214	S	C	.	.	I	π-helix	trans	-66.9	-54.4	-166.9	-179.9	62.9	0	0	0	112.1	A643 L644 N650 T651 L652	A643-L648 PolarHBondContact O-N 3.36Å; L644-L648 HydrophobicContact CG-CD2 4.39Å; L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 PolarHBondContact O-N 3.17Å; L648-N650 PolarHBondContact O-N 2.9Å; L648-T651 PolarHBondContact O-N 2.83Å; L648-L652 HydrophobicContact CD1-CD1 3.92Å; L648-L652 HydrophobicContact CD1-CG 4.1Å; L648-L652 HydrophobicContact CG-CD1 4.08Å; L648-L652 WeakPolarHBondContact O-CB 3.37Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.46Å; L648-L652 PolarHBondContact O-N 2.78Å
649	V	93	Very high	92.8	Very high	30 Å²	30	47 Å²	47	18%	0.182	24%	0.235	C	C	.	.	I	π-helix	trans	-62.9	-44.7	-177.4	173	0	0	0	0	111.5	L563 L644 S653	L563-V649 HydrophobicContact CD2-CG1 4.27Å; L644-V649 HydrophobicContact CD2-CG2 3.93Å; L644-V649 WeakPolarHBondContact O-CG2 3.45Å; L644-V649 PolarHBondContact O-N 3.16Å; V649-S653 WeakPolarHBondContact O-CB 3.08Å; V649-S653 PolarHBondContact O-N 3.14Å; V649-S653 PolarHBondContact O-OG 3.01Å
650	N	90.1	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-45	177.2	-74.2	-37.6	0	0	0	111.5	T562 F646 L648 L652 S653 L654 W701 I705	T562-N650 WeakPolarHBondContact CB-OD1 3.1Å; T562-N650 WeakPolarHBondContact CG2-OD1 3.48Å; T562-N650 PolarHBondContact OG1-OD1 2.85Å; F646-N650 WeakPolarHBondContact CA-ND2 3.28Å; F646-N650 WeakPolarHBondContact O-CB 3.43Å; F646-N650 PolarHBondContact O-ND2 3.14Å; L648-N650 PolarHBondContact O-N 2.9Å; N650-L652 PolarHBondContact O-N 3.08Å; N650-S653 WeakPolarHBondContact O-CB 3.33Å; N650-S653 PolarHBondContact O-N 3.36Å; N650-S653 VanDerWaalsContact O-N 3.15Å; N650-L654 VanDerWaalsContact O-CG 3.26Å; N650-L654 WeakPolarHBondContact O-CG 3.46Å; N650-L654 PolarHBondContact O-N 3.38Å; N650-W701 VanDerWaalsContact ND2-CE3 3.34Å; N650-W701 VanDerWaalsContact ND2-CZ3 3.34Å; N650-W701 WeakPolarHBondContact ND2-CZ3 3.21Å; N650-I705 HydrophobicContact CB-CD1 4.08Å
651	T	93.1	Very high	92.2	Very high	44 Å²	44	41.4 Å²	41.4	27%	0.27	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-43.4	178.5	-59.3	0	0	0	0	111.8	I647 L648 S653 L654 I655	I647-T651 WeakPolarHBondContact O-CB 3.41Å; I647-T651 PolarHBondContact O-N 2.71Å; I647-T651 PolarHBondContact O-OG1 3.12Å; L648-T651 PolarHBondContact O-N 2.83Å; T651-S653 VanDerWaalsContact C-N 3.31Å; T651-S653 PolarHBondContact O-N 3.09Å; T651-L654 PolarHBondContact O-N 2.83Å; T651-I655 HydrophobicContact CG2-CD1 3.87Å; T651-I655 HydrophobicContact CG2-CG1 4.41Å; T651-I655 VanDerWaalsContact O-CG1 3.32Å; T651-I655 WeakPolarHBondContact O-CG1 3.32Å; T651-I655 PolarHBondContact O-N 3.26Å
652	L	95.1	Very high	91.8	Very high	103 Å²	103	43.8 Å²	43.8	54%	0.539	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-40	175.4	-70.5	176.6	0	0	0	111.7	L648 N650 F656	L648-L652 HydrophobicContact CD1-CD1 3.92Å; L648-L652 HydrophobicContact CD1-CG 4.1Å; L648-L652 HydrophobicContact CG-CD1 4.08Å; L648-L652 WeakPolarHBondContact O-CB 3.37Å; L648-L652 VanDerWaalsContact O-CG 3.27Å; L648-L652 WeakPolarHBondContact O-CG 3.46Å; L648-L652 PolarHBondContact O-N 2.78Å; N650-L652 PolarHBondContact O-N 3.08Å; L652-F656 VanDerWaalsContact O-CB 3.26Å; L652-F656 WeakPolarHBondContact O-CB 3.41Å; L652-F656 PolarHBondContact O-N 2.83Å
653	S	92.7	Very high	91.5	Very high	8 Å²	8	49.6 Å²	49.6	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-47.8	174.2	-64.5	0	0	0	0	111.4	T566 V649 N650 T651 I655 F656 I657	T566-S653 VanDerWaalsContact OG1-CB 3.23Å; T566-S653 WeakPolarHBondContact OG1-CB 3.45Å; T566-S653 PolarHBondContact OG1-OG 2.83Å; V649-S653 WeakPolarHBondContact O-CB 3.08Å; V649-S653 PolarHBondContact O-N 3.14Å; V649-S653 PolarHBondContact O-OG 3.01Å; N650-S653 WeakPolarHBondContact O-CB 3.33Å; N650-S653 PolarHBondContact O-N 3.36Å; N650-S653 VanDerWaalsContact O-N 3.15Å; T651-S653 VanDerWaalsContact C-N 3.31Å; T651-S653 PolarHBondContact O-N 3.09Å; S653-I655 PolarHBondContact O-N 3.45Å; S653-F656 PolarHBondContact O-N 3Å; S653-I657 VanDerWaalsContact O-CB 3.26Å; S653-I657 WeakPolarHBondContact O-CB 3.28Å; S653-I657 WeakPolarHBondContact O-CD1 3.14Å; S653-I657 WeakPolarHBondContact O-CG1 3.36Å; S653-I657 PolarHBondContact O-N 2.93Å
654	L	91.1	Very high	91	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-45	178.4	-66.3	174.6	0	0	0	112.3	N650 T651 I657 L658 C698 W701 L702 I705	N650-L654 VanDerWaalsContact O-CG 3.26Å; N650-L654 WeakPolarHBondContact O-CG 3.46Å; N650-L654 PolarHBondContact O-N 3.38Å; T651-L654 PolarHBondContact O-N 2.83Å; L654-I657 PolarHBondContact O-N 3.05Å; L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 PolarHBondContact O-N 3.46Å; L654-C698 HydrophobicContact CD2-CB 3.77Å; L654-C698 WeakPolarHBondContact CD2-SG 3.39Å; L654-W701 HydrophobicContact CD1-CB 4.41Å; L654-L702 HydrophobicContact CD1-CD2 4.06Å; L654-L702 HydrophobicContact CD1-CG 4.32Å; L654-I705 HydrophobicContact CD1-CD1 3.74Å
655	I	92.6	Very high	90.4	Very high	102 Å²	102	50.6 Å²	50.6	52%	0.523	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-47.3	177	-69.6	169.7	0	0	0	110.6	T651 S653 I657 L658 F659	T651-I655 HydrophobicContact CG2-CD1 3.87Å; T651-I655 HydrophobicContact CG2-CG1 4.41Å; T651-I655 VanDerWaalsContact O-CG1 3.32Å; T651-I655 WeakPolarHBondContact O-CG1 3.32Å; T651-I655 PolarHBondContact O-N 3.26Å; S653-I655 PolarHBondContact O-N 3.45Å; I655-I657 VanDerWaalsContact C-N 3.33Å; I655-I657 PolarHBondContact O-N 3.21Å; I655-L658 PolarHBondContact O-N 3.21Å; I655-F659 WeakPolarHBondContact O-CB 3.41Å; I655-F659 PolarHBondContact O-N 3.34Å
656	F	94	Very high	89.9	Confident	55 Å²	55	54.4 Å²	54.4	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-44	178.9	169.5	-92.9	0	0	0	111.5	T566 T569 W570 L652 S653 F659 S660	T566-F656 HydrophobicContact CG2-CD1 3.65Å; T566-F656 HydrophobicContact CG2-CE1 3.97Å; T566-F656 HydrophobicContact CG2-CG 4.46Å; T569-F656 HydrophobicContact CG2-CE1 4.49Å; W570-F656 HydrophobicContact CB-CE1 4.12Å; W570-F656 HydrophobicContact CB-CZ 3.84Å; W570-F656 HydrophobicContact CD2-CZ 4.47Å; W570-F656 AromaticContact CE3-CE2 3.97Å; W570-F656 HydrophobicContact CE3-CE2 3.97Å; W570-F656 AromaticContact CE3-CZ 3.75Å; W570-F656 HydrophobicContact CE3-CZ 3.75Å; L652-F656 VanDerWaalsContact O-CB 3.26Å; L652-F656 WeakPolarHBondContact O-CB 3.41Å; L652-F656 PolarHBondContact O-N 2.83Å; S653-F656 PolarHBondContact O-N 3Å; F656-F659 PolarHBondContact O-N 2.9Å; F656-S660 WeakPolarHBondContact CE1-OG 3.48Å; F656-S660 WeakPolarHBondContact CE2-OG 3.11Å; F656-S660 WeakPolarHBondContact CZ-OG 3.26Å; F656-S660 VanDerWaalsContact O-CB 3.23Å; F656-S660 WeakPolarHBondContact O-CB 3.08Å; F656-S660 PolarHBondContact O-N 3.39Å; F656-S660 PolarHBondContact O-OG 2.97Å
657	I	89.4	Confident	89.4	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-52.5	177	-77.9	169.9	0	0	0	109.7	L565 T569 S653 L654 I655 F659 S660 Y661 V694	L565-I657 HydrophobicContact CB-CD1 4.34Å; T569-I657 HydrophobicContact CG2-CG1 4.41Å; S653-I657 VanDerWaalsContact O-CB 3.26Å; S653-I657 WeakPolarHBondContact O-CB 3.28Å; S653-I657 WeakPolarHBondContact O-CD1 3.14Å; S653-I657 WeakPolarHBondContact O-CG1 3.36Å; S653-I657 PolarHBondContact O-N 2.93Å; L654-I657 PolarHBondContact O-N 3.05Å; I655-I657 VanDerWaalsContact C-N 3.33Å; I655-I657 PolarHBondContact O-N 3.21Å; I657-F659 PolarHBondContact O-N 3.03Å; I657-S660 PolarHBondContact O-N 3.45Å; I657-S660 VanDerWaalsContact O-N 3.16Å; I657-Y661 HydrophobicContact CG2-CD2 3.93Å; I657-Y661 HydrophobicContact CG2-CE2 4.07Å; I657-Y661 WeakPolarHBondContact O-CD2 3.39Å; I657-Y661 PolarHBondContact O-N 2.89Å; I657-V694 HydrophobicContact CD1-CG1 4.4Å; I657-V694 HydrophobicContact CG2-CG1 3.19Å
658	L	88.6	Confident	88.4	Confident	113 Å²	113	57.5 Å²	57.5	59%	0.592	29%	0.286	S	S	*	.	H	α-helix	trans	-57.3	-49.5	179.9	178.8	62.8	0	0	0	111.4	L654 I655 S660 Y661 I662	L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 PolarHBondContact O-N 3.46Å; I655-L658 PolarHBondContact O-N 3.21Å; L658-S660 VanDerWaalsContact C-N 3.32Å; L658-S660 PolarHBondContact O-N 2.81Å; L658-Y661 PolarHBondContact O-N 3.35Å; L658-I662 HydrophobicContact CD1-CD1 4.32Å; L658-I662 HydrophobicContact CG-CD1 4.16Å; L658-I662 WeakPolarHBondContact O-CG1 3.32Å; L658-I662 PolarHBondContact O-N 3.03Å
659	F	91.3	Very high	87.4	Confident	104 Å²	104	62.7 Å²	62.7	46%	0.456	30%	0.299	S	S	.	.	H	α-helix	trans	-58	-44.9	176.6	173.9	-98.1	0	0	0	111.9	I655 F656 I657 Y661 I662 R663	I655-F659 WeakPolarHBondContact O-CB 3.41Å; I655-F659 PolarHBondContact O-N 3.34Å; F656-F659 PolarHBondContact O-N 2.9Å; I657-F659 PolarHBondContact O-N 3.03Å; F659-Y661 PolarHBondContact O-N 3.25Å; F659-I662 PolarHBondContact O-N 3.16Å; F659-R663 HydrophobicContact CD1-CG 4.22Å; F659-R663 HydrophobicContact CE1-CG 3.79Å; F659-R663 HydrophobicContact CE2-CG 4.13Å; F659-R663 HydrophobicContact CZ-CG 3.76Å; F659-R663 VanDerWaalsContact CZ-NE 3.31Å; F659-R663 WeakPolarHBondContact O-CG 3.37Å; F659-R663 PolarHBondContact O-N 3.01Å
660	S	89.7	Confident	86.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-40.5	-179.5	-63.9	0	0	0	0	112.1	T569 F656 I657 L658 R663 M664	T569-S660 VanDerWaalsContact CG2-CB 3.44Å; F656-S660 WeakPolarHBondContact CE1-OG 3.48Å; F656-S660 WeakPolarHBondContact CE2-OG 3.11Å; F656-S660 WeakPolarHBondContact CZ-OG 3.26Å; F656-S660 VanDerWaalsContact O-CB 3.23Å; F656-S660 WeakPolarHBondContact O-CB 3.08Å; F656-S660 PolarHBondContact O-N 3.39Å; F656-S660 PolarHBondContact O-OG 2.97Å; I657-S660 PolarHBondContact O-N 3.45Å; I657-S660 VanDerWaalsContact O-N 3.16Å; L658-S660 VanDerWaalsContact C-N 3.32Å; L658-S660 PolarHBondContact O-N 2.81Å; S660-R663 PolarHBondContact O-N 3.28Å; S660-M664 VanDerWaalsContact O-CG 3.32Å; S660-M664 WeakPolarHBondContact O-CG 3.36Å; S660-M664 PolarHBondContact O-N 3.05Å
661	Y	85.3	Confident	85.3	Confident	44 Å²	44	71.5 Å²	71.5	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-66.8	-39.4	175.2	-87.2	-82.5	0	0	0	112.5	T569 I657 L658 F659 R663 M664 L665 F690 A691 V694	T569-Y661 HydrophobicContact CG2-CD2 3.91Å; T569-Y661 HydrophobicContact CG2-CE2 3.71Å; I657-Y661 HydrophobicContact CG2-CD2 3.93Å; I657-Y661 HydrophobicContact CG2-CE2 4.07Å; I657-Y661 WeakPolarHBondContact O-CD2 3.39Å; I657-Y661 PolarHBondContact O-N 2.89Å; L658-Y661 PolarHBondContact O-N 3.35Å; F659-Y661 PolarHBondContact O-N 3.25Å; Y661-R663 VanDerWaalsContact C-N 3.33Å; Y661-R663 PolarHBondContact O-N 3.08Å; Y661-M664 HydrophobicContact CD1-CE 3.49Å; Y661-M664 VanDerWaalsContact CD1-CE 3.49Å; Y661-M664 HydrophobicContact CD2-CE 3.97Å; Y661-M664 HydrophobicContact CE1-CE 3.65Å; Y661-M664 HydrophobicContact CE2-CE 4.11Å; Y661-M664 HydrophobicContact CG-CE 3.66Å; Y661-M664 PolarHBondContact O-N 2.86Å; Y661-L665 VanDerWaalsContact O-CG 3.31Å; Y661-L665 WeakPolarHBondContact O-CG 3.2Å; Y661-L665 PolarHBondContact O-N 3.46Å; Y661-F690 VanDerWaalsContact OH-C 3.26Å; Y661-F690 PolarHBondContact OH-O 2.81Å; Y661-A691 HydrophobicContact CE1-CB 3.76Å; Y661-A691 WeakPolarHBondContact OH-CA 3.1Å; Y661-A691 PolarHBondContact OH-N 3.01Å; Y661-V694 HydrophobicContact CE2-CB 4.3Å; Y661-V694 HydrophobicContact CE2-CG1 3.99Å; Y661-V694 HydrophobicContact CE2-CG2 4.19Å
662	I	86.4	Confident	83.6	Confident	80 Å²	80	72.3 Å²	72.3	41%	0.41	37%	0.369	S	S	.	.	H	α-helix	trans	-59	-46.6	172.7	-67.2	165.8	0	0	0	110.4	L658 F659 L665 Q666	L658-I662 HydrophobicContact CD1-CD1 4.32Å; L658-I662 HydrophobicContact CG-CD1 4.16Å; L658-I662 WeakPolarHBondContact O-CG1 3.32Å; L658-I662 PolarHBondContact O-N 3.03Å; F659-I662 PolarHBondContact O-N 3.16Å; I662-L665 PolarHBondContact O-N 3.07Å; I662-Q666 WeakPolarHBondContact O-CG 3.37Å; I662-Q666 PolarHBondContact O-N 2.99Å
663	R	88	Confident	81.4	Confident	122 Å²	122	71.3 Å²	71.3	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-40.4	177.9	-70.4	-58	-167	170.5	4.8	113	L573 F659 S660 Y661 Q666 A667	L573-R663 HydrophobicContact CD1-CB 3.62Å; F659-R663 HydrophobicContact CD1-CG 4.22Å; F659-R663 HydrophobicContact CE1-CG 3.79Å; F659-R663 HydrophobicContact CE2-CG 4.13Å; F659-R663 HydrophobicContact CZ-CG 3.76Å; F659-R663 VanDerWaalsContact CZ-NE 3.31Å; F659-R663 WeakPolarHBondContact O-CG 3.37Å; F659-R663 PolarHBondContact O-N 3.01Å; S660-R663 PolarHBondContact O-N 3.28Å; Y661-R663 VanDerWaalsContact C-N 3.33Å; Y661-R663 PolarHBondContact O-N 3.08Å; R663-Q666 PolarHBondContact O-N 2.86Å; R663-A667 WeakPolarHBondContact O-CB 3.14Å; R663-A667 PolarHBondContact O-N 3.04Å
664	M	83.9	Confident	79.2	Confident	13 Å²	13	73.7 Å²	73.7	6%	0.064	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-43.6	174.4	-75	-171.9	-69	0	0	111.4	T569 R572 L573 V576 S660 Y661 Q666 A667 I668	T569-M664 HydrophobicContact CG2-CE 4.21Å; R572-M664 HydrophobicContact CB-CE 4.41Å; R572-M664 HydrophobicContact CB-SD 3.58Å; R572-M664 VanDerWaalsContact CB-SD 3.58Å; L573-M664 HydrophobicContact CB-CG 4.31Å; L573-M664 HydrophobicContact CD1-CG 3.88Å; V576-M664 HydrophobicContact CB-CG 4.28Å; V576-M664 HydrophobicContact CG2-CG 4.27Å; V576-M664 HydrophobicContact CG2-SD 4.3Å; S660-M664 VanDerWaalsContact O-CG 3.32Å; S660-M664 WeakPolarHBondContact O-CG 3.36Å; S660-M664 PolarHBondContact O-N 3.05Å; Y661-M664 HydrophobicContact CD1-CE 3.49Å; Y661-M664 VanDerWaalsContact CD1-CE 3.49Å; Y661-M664 HydrophobicContact CD2-CE 3.97Å; Y661-M664 HydrophobicContact CE1-CE 3.65Å; Y661-M664 HydrophobicContact CE2-CE 4.11Å; Y661-M664 HydrophobicContact CG-CE 3.66Å; Y661-M664 PolarHBondContact O-N 2.86Å; M664-Q666 PolarHBondContact O-N 3.46Å; M664-A667 PolarHBondContact O-N 3.07Å; M664-I668 WeakPolarHBondContact O-CD1 3.48Å; M664-I668 VanDerWaalsContact O-CG1 3.23Å; M664-I668 WeakPolarHBondContact O-CG1 3.39Å; M664-I668 PolarHBondContact O-N 3.06Å
665	L	81.3	Confident	77.1	Confident	98 Å²	98	79.7 Å²	79.7	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-39.4	177	-71	172.8	0	0	0	112.4	Y661 I662 R669	Y661-L665 VanDerWaalsContact O-CG 3.31Å; Y661-L665 WeakPolarHBondContact O-CG 3.2Å; Y661-L665 PolarHBondContact O-N 3.46Å; I662-L665 PolarHBondContact O-N 3.07Å; L665-R669 VanDerWaalsContact O-CG 3.31Å; L665-R669 WeakPolarHBondContact O-CG 3.33Å; L665-R669 PolarHBondContact O-N 2.93Å
666	Q	83.5	Confident	74.8	Confident	80 Å²	80	85.1 Å²	85.1	37%	0.374	45%	0.453	S	S	.	.	H	α-helix	trans	-61.1	-50.9	173.7	-73.2	173.7	-13.4	0	0	111.3	I662 R663 M664 I668 R669 D670	I662-Q666 WeakPolarHBondContact O-CG 3.37Å; I662-Q666 PolarHBondContact O-N 2.99Å; R663-Q666 PolarHBondContact O-N 2.86Å; M664-Q666 PolarHBondContact O-N 3.46Å; Q666-I668 VanDerWaalsContact C-N 3.3Å; Q666-I668 PolarHBondContact O-N 2.87Å; Q666-R669 WeakPolarHBondContact O-CB 3.42Å; Q666-R669 PolarHBondContact O-N 2.68Å; Q666-R669 VanDerWaalsContact O-N 3.08Å; Q666-D670 VanDerWaalsContact O-CG 3.3Å; Q666-D670 PolarHBondContact O-N 2.96Å
667	A	80.3	Confident	72.6	Confident	19 Å²	19	85 Å²	85	16%	0.157	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-35.1	-179.8	0	0	0	0	0	113.3	V576 T577 R663 M664 S671	V576-A667 HydrophobicContact CG1-CB 3.79Å; T577-A667 HydrophobicContact CG2-CB 4.24Å; R663-A667 WeakPolarHBondContact O-CB 3.14Å; R663-A667 PolarHBondContact O-N 3.04Å; M664-A667 PolarHBondContact O-N 3.07Å; A667-S671 WeakPolarHBondContact O-CB 3.4Å; A667-S671 PolarHBondContact O-N 2.76Å; A667-S671 PolarHBondContact O-OG 2.85Å
668	I	73.3	Confident	70.7	Confident	74 Å²	74	91.3 Å²	91.3	38%	0.379	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-40.9	174.2	-68	164.9	0	0	0	110.9	V576 M664 Q666 S671 G672	V576-I668 HydrophobicContact CG1-CG1 4.05Å; M664-I668 WeakPolarHBondContact O-CD1 3.48Å; M664-I668 VanDerWaalsContact O-CG1 3.23Å; M664-I668 WeakPolarHBondContact O-CG1 3.39Å; M664-I668 PolarHBondContact O-N 3.06Å; Q666-I668 VanDerWaalsContact C-N 3.3Å; Q666-I668 PolarHBondContact O-N 2.87Å; I668-S671 PolarHBondContact O-N 3.38Å; I668-G672 PolarHBondContact O-N 2.69Å
669	R	73.6	Confident	68.7	Low	200 Å²	200	91.2 Å²	91.2	76%	0.755	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-44.7	175.7	-75	174.5	-178.7	-176.2	1	111.5	L665 Q666 S671 G672	L665-R669 VanDerWaalsContact O-CG 3.31Å; L665-R669 WeakPolarHBondContact O-CG 3.33Å; L665-R669 PolarHBondContact O-N 2.93Å; Q666-R669 WeakPolarHBondContact O-CB 3.42Å; Q666-R669 PolarHBondContact O-N 2.68Å; Q666-R669 VanDerWaalsContact O-N 3.08Å; R669-S671 VanDerWaalsContact C-N 3.32Å; R669-S671 PolarHBondContact O-N 3.48Å; R669-G672 PolarHBondContact O-N 3.11Å
670	D	72.1	Confident	66.8	Low	135 Å²	135	88.5 Å²	88.5	72%	0.722	49%	0.488	S	S	*	.	H	α-helix	trans	-66	-35.2	179.2	-62.4	-20.1	0	0	0	111.9	Q666	Q666-D670 VanDerWaalsContact O-CG 3.3Å; Q666-D670 PolarHBondContact O-N 2.96Å
671	S	66.6	Low	65	Low	80 Å²	80	90.4 Å²	90.4	56%	0.559	51%	0.507	S	S	*	.	H	α-helix	trans	-80.3	-20.3	177.2	-55.9	0	0	0	0	113.6	A667 I668 R669 G673 G674	A667-S671 WeakPolarHBondContact O-CB 3.4Å; A667-S671 PolarHBondContact O-N 2.76Å; A667-S671 PolarHBondContact O-OG 2.85Å; I668-S671 PolarHBondContact O-N 3.38Å; R669-S671 VanDerWaalsContact C-N 3.32Å; R669-S671 PolarHBondContact O-N 3.48Å; S671-G673 PolarHBondContact O-N 2.73Å; S671-G673 VanDerWaalsContact O-N 3.14Å; S671-G674 PolarHBondContact O-N 3.28Å; S671-G674 VanDerWaalsContact O-N 3.11Å
672	G	57	Low	63.4	Low	62 Å²	62	97.8 Å²	97.8	64%	0.639	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.2	-173.5	0	0	0	0	0	114.7	I668 R669 G674	I668-G672 PolarHBondContact O-N 2.69Å; R669-G672 PolarHBondContact O-N 3.11Å; G672-G674 VanDerWaalsContact C-N 3.28Å; G672-G674 PolarHBondContact O-N 2.77Å
673	G	49.1	Very low	61.9	Low	82 Å²	82	97 Å²	97	85%	0.845	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.4	172.8	0	0	0	0	0	114.6	S671	S671-G673 PolarHBondContact O-N 2.73Å; S671-G673 VanDerWaalsContact O-N 3.14Å
674	G	46.4	Very low	60.6	Low	58 Å²	58	94.7 Å²	94.7	60%	0.598	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-22.3	-160	0	0	0	0	0	119.2	S671 G672	S671-G674 PolarHBondContact O-N 3.28Å; S671-G674 VanDerWaalsContact O-N 3.11Å; G672-G674 VanDerWaalsContact C-N 3.28Å; G672-G674 PolarHBondContact O-N 2.77Å
675	M	45.9	Very low	59.5	Low	147 Å²	147	97.7 Å²	97.7	72%	0.724	55%	0.545	S	S	*	.			trans	-153.4	86.9	-163.7	-153.5	77.8	66.5	0	0	114.4	S677	M675-S677 PolarHBondContact O-N 2.98Å
676	R	44.6	Very low	58.6	Low	217 Å²	217	94.1 Å²	94.1	82%	0.819	53%	0.527	S	S	*	.			trans	-78	59.7	167.7	-170	177.3	139.8	156.9	-2.8	110.3	E778	R676-E778 IonicContact NH2-OE2 3.44Å
677	S	49.5	Very low	57.8	Low	53 Å²	53	92.2 Å²	92.2	37%	0.371	53%	0.525	S	S	.	.			trans	-85.5	147.4	173.1	76.8	0	0	0	0	110.6	M675 H679 S680	M675-S677 PolarHBondContact O-N 2.98Å; S677-H679 PolarHBondContact O-N 2.96Å; S677-S680 WeakPolarHBondContact O-CB 3.38Å; S677-S680 PolarHBondContact O-N 3.33Å
678	T	48.1	Very low	57.2	Low	137 Å²	137	94.9 Å²	94.9	84%	0.84	54%	0.54	S	S	*	.	H	α-helix	trans	-57.6	-18.1	174.2	46.5	0	0	0	0	113.6
679	H	46.5	Very low	57.1	Low	111 Å²	111	94 Å²	94	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-43.4	173.4	-157.9	-90.6	0	0	0	111.6	S677 G681 R682 E683	S677-H679 PolarHBondContact O-N 2.96Å; H679-G681 VanDerWaalsContact C-N 3.32Å; H679-G681 PolarHBondContact O-N 3.49Å; H679-R682 PolarHBondContact O-N 2.79Å; H679-E683 VanDerWaalsContact CE1-CD 3.41Å; H679-E683 IonicContact CE1-OE1 3.74Å; H679-E683 PolarHBondContact CE1-OE1 2.98Å; H679-E683 IonicContact CE1-OE2 3.81Å; H679-E683 IonicContact ND1-OE1 3.1Å; H679-E683 PolarHBondContact ND1-OE1 2.89Å; H679-E683 IonicContact ND1-OE2 3.09Å; H679-E683 PolarHBondContact ND1-OE2 2.99Å; H679-E683 VanDerWaalsContact ND1-OE2 3.1Å; H679-E683 PolarHBondContact O-N 2.95Å; H679-E683 VanDerWaalsContact O-N 3.09Å
680	S	51	Low	57.2	Low	47 Å²	47	84.6 Å²	84.6	33%	0.329	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-41.1	178.4	174.8	0	0	0	0	112	S677 R682 E683 N684	S677-S680 WeakPolarHBondContact O-CB 3.38Å; S677-S680 PolarHBondContact O-N 3.33Å; S680-R682 PolarHBondContact O-N 2.87Å; S680-E683 PolarHBondContact O-N 3.19Å; S680-N684 WeakPolarHBondContact O-CB 3.03Å; S680-N684 PolarHBondContact O-N 3.03Å; S680-N684 PolarHBondContact O-ND2 3.24Å; S680-N684 PolarHBondContact O-OD1 2.78Å
681	G	51.8	Low	57.5	Low	39 Å²	39	79.5 Å²	79.5	40%	0.402	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-38.8	178.6	0	0	0	0	0	113.6	H679 V685	H679-G681 VanDerWaalsContact C-N 3.32Å; H679-G681 PolarHBondContact O-N 3.49Å; G681-V685 WeakPolarHBondContact O-CG2 3.08Å; G681-V685 PolarHBondContact O-N 3.39Å
682	R	52.2	Low	58.1	Low	200 Å²	200	77.4 Å²	77.4	76%	0.755	46%	0.455	S	S	*	.	H	α-helix	trans	-70.1	-41	175.5	-84.7	-177.7	160.1	159.5	-2.1	112	H679 S680 V685 V686	H679-R682 PolarHBondContact O-N 2.79Å; S680-R682 PolarHBondContact O-N 2.87Å; R682-V685 PolarHBondContact O-N 2.88Å; R682-V686 PolarHBondContact O-N 3.42Å
683	E	55	Low	59.2	Low	64 Å²	64	74.6 Å²	74.6	30%	0.299	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-40.2	178.1	-72.4	178.7	142.1	0	0	111.6	H679 S680 V685 V686 A687	H679-E683 VanDerWaalsContact CE1-CD 3.41Å; H679-E683 IonicContact CE1-OE1 3.74Å; H679-E683 PolarHBondContact CE1-OE1 2.98Å; H679-E683 IonicContact CE1-OE2 3.81Å; H679-E683 IonicContact ND1-OE1 3.1Å; H679-E683 PolarHBondContact ND1-OE1 2.89Å; H679-E683 IonicContact ND1-OE2 3.09Å; H679-E683 PolarHBondContact ND1-OE2 2.99Å; H679-E683 VanDerWaalsContact ND1-OE2 3.1Å; H679-E683 PolarHBondContact O-N 2.95Å; H679-E683 VanDerWaalsContact O-N 3.09Å; S680-E683 PolarHBondContact O-N 3.19Å; E683-V685 PolarHBondContact O-N 3.2Å; E683-V686 PolarHBondContact O-N 3.46Å; E683-A687 WeakPolarHBondContact O-CB 3.37Å; E683-A687 PolarHBondContact O-N 3.11Å
684	N	60.5	Low	60.8	Low	73 Å²	73	71 Å²	71	39%	0.39	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-45.9	176.4	-71.4	-10.2	0	0	0	112.2	S680 V686 A687 T688	S680-N684 WeakPolarHBondContact O-CB 3.03Å; S680-N684 PolarHBondContact O-N 3.03Å; S680-N684 PolarHBondContact O-ND2 3.24Å; S680-N684 PolarHBondContact O-OD1 2.78Å; N684-V686 VanDerWaalsContact C-N 3.26Å; N684-V686 PolarHBondContact O-N 2.92Å; N684-A687 PolarHBondContact O-N 2.97Å; N684-T688 PolarHBondContact O-N 3.41Å; N684-T688 PolarHBondContact O-OG1 3.33Å
685	V	60.9	Low	62.5	Low	75 Å²	75	72.4 Å²	72.4	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-39.1	178.6	173.2	0	0	0	0	111.4	G681 R682 E683 R689	G681-V685 WeakPolarHBondContact O-CG2 3.08Å; G681-V685 PolarHBondContact O-N 3.39Å; R682-V685 PolarHBondContact O-N 2.88Å; E683-V685 PolarHBondContact O-N 3.2Å; V685-R689 WeakPolarHBondContact O-CG 3.48Å; V685-R689 PolarHBondContact O-N 3.4Å
686	V	63.9	Low	64.4	Low	23 Å²	23	65.9 Å²	65.9	14%	0.139	35%	0.352	C	S	.	.	H	α-helix	trans	-81	-29.4	-179.9	-160.7	0	0	0	0	112.6	H502 R682 E683 N684 R689 F690	H502-V686 VanDerWaalsContact CE1-CG1 3.48Å; H502-V686 WeakPolarHBondContact CE1-CG1 3.34Å; H502-V686 WeakPolarHBondContact ND1-CG1 3.25Å; R682-V686 PolarHBondContact O-N 3.42Å; E683-V686 PolarHBondContact O-N 3.46Å; N684-V686 VanDerWaalsContact C-N 3.26Å; N684-V686 PolarHBondContact O-N 2.92Å; V686-R689 PolarHBondContact O-N 2.88Å; V686-F690 HydrophobicContact CG1-CD2 4.15Å; V686-F690 HydrophobicContact CG1-CE2 3.83Å; V686-F690 VanDerWaalsContact O-CD2 3.29Å; V686-F690 WeakPolarHBondContact O-CD2 3.41Å; V686-F690 PolarHBondContact O-N 3.07Å
687	A	65.1	Low	66.3	Low	41 Å²	41	55.8 Å²	55.8	34%	0.339	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-44.8	172.1	0	0	0	0	0	111.3	E683 N684 R689 F690 A691	E683-A687 WeakPolarHBondContact O-CB 3.37Å; E683-A687 PolarHBondContact O-N 3.11Å; N684-A687 PolarHBondContact O-N 2.97Å; A687-R689 VanDerWaalsContact C-N 3.26Å; A687-R689 PolarHBondContact O-N 3.06Å; A687-F690 PolarHBondContact O-N 2.71Å; A687-A691 PolarHBondContact O-N 3.21Å
688	T	67.9	Low	68.1	Low	75 Å²	75	54.5 Å²	54.5	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-36.7	175.9	-53.3	0	0	0	0	112.3	N684 A691 I692	N684-T688 PolarHBondContact O-N 3.41Å; N684-T688 PolarHBondContact O-OG1 3.33Å; T688-A691 PolarHBondContact O-N 3.3Å; T688-I692 HydrophobicContact CG2-CD1 4.14Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 2.95Å; T688-I692 VanDerWaalsContact O-N 3.08Å
689	R	71.8	Confident	70.1	Confident	54 Å²	54	49.4 Å²	49.4	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-49.3	177	-69.1	-177.5	-174	156	4.9	112.4	V685 V686 A687 A691 I692 I693 T744	V685-R689 WeakPolarHBondContact O-CG 3.48Å; V685-R689 PolarHBondContact O-N 3.4Å; V686-R689 PolarHBondContact O-N 2.88Å; A687-R689 VanDerWaalsContact C-N 3.26Å; A687-R689 PolarHBondContact O-N 3.06Å; R689-A691 VanDerWaalsContact C-N 3.33Å; R689-I692 PolarHBondContact O-N 2.64Å; R689-I693 VanDerWaalsContact O-CD1 3.24Å; R689-I693 WeakPolarHBondContact O-CD1 3.36Å; R689-I693 VanDerWaalsContact O-CG1 3.27Å; R689-I693 WeakPolarHBondContact O-CG1 3.38Å; R689-I693 PolarHBondContact O-N 2.98Å; R689-T744 WeakPolarHBondContact CD-OG1 3.12Å; R689-T744 HydrophobicContact CG-CG2 4.13Å; R689-T744 WeakPolarHBondContact CG-OG1 3.44Å; R689-T744 PolarHBondContact NE-O 3.27Å; R689-T744 PolarHBondContact NE-OG1 2.92Å; R689-T744 PolarHBondContact NH2-O 3.17Å
690	F	75.9	Confident	72.1	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-34.3	178.3	-72.2	-63.4	0	0	0	112.4	H502 L506 V568 R572 Y661 V686 A687 I692 I693 V694	H502-F690 HydrophobicContact CB-CE2 4.46Å; H502-F690 HydrophobicContact CB-CZ 4.42Å; H502-F690 AromaticContact ND1-CE2 3.67Å; L506-F690 HydrophobicContact CD1-CZ 4.25Å; L506-F690 HydrophobicContact CG-CE1 4.38Å; L506-F690 HydrophobicContact CG-CZ 4.43Å; V568-F690 HydrophobicContact CG1-CB 4.49Å; V568-F690 HydrophobicContact CG1-CD1 3.53Å; V568-F690 HydrophobicContact CG1-CD2 4.31Å; V568-F690 HydrophobicContact CG1-CE1 3.66Å; V568-F690 HydrophobicContact CG1-CE2 4.4Å; V568-F690 HydrophobicContact CG1-CG 3.87Å; V568-F690 HydrophobicContact CG1-CZ 4.1Å; R572-F690 VanDerWaalsContact NH2-CD2 3.31Å; R572-F690 VanDerWaalsContact NH2-CE2 3.29Å; Y661-F690 VanDerWaalsContact OH-C 3.26Å; Y661-F690 PolarHBondContact OH-O 2.81Å; V686-F690 HydrophobicContact CG1-CD2 4.15Å; V686-F690 HydrophobicContact CG1-CE2 3.83Å; V686-F690 VanDerWaalsContact O-CD2 3.29Å; V686-F690 WeakPolarHBondContact O-CD2 3.41Å; V686-F690 PolarHBondContact O-N 3.07Å; A687-F690 PolarHBondContact O-N 2.71Å; F690-I692 VanDerWaalsContact C-N 3.35Å; F690-I692 PolarHBondContact O-N 3.43Å; F690-I693 HydrophobicContact CD1-CD1 4.13Å; F690-I693 PolarHBondContact O-N 3.04Å; F690-V694 VanDerWaalsContact O-CB 3.27Å; F690-V694 WeakPolarHBondContact O-CB 3.28Å; F690-V694 WeakPolarHBondContact O-CG2 3.29Å; F690-V694 PolarHBondContact O-N 2.92Å
691	A	77.6	Confident	74	Confident	28 Å²	28	43 Å²	43	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-43.7	175.1	0	0	0	0	0	111.9	Y661 A687 T688 R689 T695	Y661-A691 HydrophobicContact CE1-CB 3.76Å; Y661-A691 WeakPolarHBondContact OH-CA 3.1Å; Y661-A691 PolarHBondContact OH-N 3.01Å; A687-A691 PolarHBondContact O-N 3.21Å; T688-A691 PolarHBondContact O-N 3.3Å; R689-A691 VanDerWaalsContact C-N 3.33Å; A691-T695 WeakPolarHBondContact O-CB 3.21Å; A691-T695 PolarHBondContact O-N 3.05Å; A691-T695 PolarHBondContact O-OG1 3.07Å
692	I	79.2	Confident	75.8	Confident	36 Å²	36	45.8 Å²	45.8	19%	0.185	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-49.1	177.9	-66	165.6	0	0	0	110.8	I21 T688 R689 F690 V694 T695 T696 L740 T744	I21-I692 HydrophobicContact CD1-CG2 4.35Å; I21-I692 HydrophobicContact CG2-CG2 4.23Å; T688-I692 HydrophobicContact CG2-CD1 4.14Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 2.95Å; T688-I692 VanDerWaalsContact O-N 3.08Å; R689-I692 PolarHBondContact O-N 2.64Å; F690-I692 VanDerWaalsContact C-N 3.35Å; F690-I692 PolarHBondContact O-N 3.43Å; I692-V694 VanDerWaalsContact C-N 3.32Å; I692-V694 PolarHBondContact O-N 3.46Å; I692-T695 WeakPolarHBondContact O-CB 3.23Å; I692-T695 PolarHBondContact O-N 3.3Å; I692-T695 VanDerWaalsContact O-N 3.08Å; I692-T696 PolarHBondContact O-N 2.96Å; I692-T696 PolarHBondContact O-OG1 2.86Å; I692-L740 HydrophobicContact CG2-CD1 4.27Å; I692-L740 HydrophobicContact CG2-CD2 3.86Å; I692-T744 HydrophobicContact CD1-CG2 4.22Å
693	I	79.7	Confident	77.7	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-45.4	179.5	-63	154.7	0	0	0	111	L509 L565 R689 F690 T695 T696 D697 Y741	L509-I693 HydrophobicContact CD2-CG2 3.79Å; L565-I693 HydrophobicContact CD2-CG2 3.7Å; R689-I693 VanDerWaalsContact O-CD1 3.24Å; R689-I693 WeakPolarHBondContact O-CD1 3.36Å; R689-I693 VanDerWaalsContact O-CG1 3.27Å; R689-I693 WeakPolarHBondContact O-CG1 3.38Å; R689-I693 PolarHBondContact O-N 2.98Å; F690-I693 HydrophobicContact CD1-CD1 4.13Å; F690-I693 PolarHBondContact O-N 3.04Å; I693-T695 VanDerWaalsContact C-N 3.3Å; I693-T695 PolarHBondContact O-N 2.81Å; I693-T696 PolarHBondContact O-N 3.35Å; I693-T696 PolarHBondContact O-OG1 3.16Å; I693-D697 PolarHBondContact O-N 2.76Å; I693-D697 VanDerWaalsContact O-N 3.14Å; I693-Y741 HydrophobicContact CD1-CD1 4.06Å; I693-Y741 HydrophobicContact CD1-CE1 3.49Å; I693-Y741 VanDerWaalsContact CD1-CE1 3.49Å; I693-Y741 HydrophobicContact CG1-CE1 3.99Å
694	V	82.6	Confident	79.4	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.5	163.9	0	0	0	0	110.9	L565 I657 Y661 F690 I692 T696 D697 C698	L565-V694 HydrophobicContact CB-CG2 4.39Å; L565-V694 HydrophobicContact CD2-CG2 4.13Å; I657-V694 HydrophobicContact CD1-CG1 4.4Å; I657-V694 HydrophobicContact CG2-CG1 3.19Å; Y661-V694 HydrophobicContact CE2-CB 4.3Å; Y661-V694 HydrophobicContact CE2-CG1 3.99Å; Y661-V694 HydrophobicContact CE2-CG2 4.19Å; F690-V694 VanDerWaalsContact O-CB 3.27Å; F690-V694 WeakPolarHBondContact O-CB 3.28Å; F690-V694 WeakPolarHBondContact O-CG2 3.29Å; F690-V694 PolarHBondContact O-N 2.92Å; I692-V694 VanDerWaalsContact C-N 3.32Å; I692-V694 PolarHBondContact O-N 3.46Å; V694-T696 PolarHBondContact O-N 3.46Å; V694-D697 PolarHBondContact O-N 3.17Å; V694-C698 WeakPolarHBondContact O-CB 3.5Å; V694-C698 PolarHBondContact O-N 2.96Å; V694-C698 PolarHBondContact O-SG 3.34Å
695	T	83.2	Confident	80.9	Confident	87 Å²	87	32.9 Å²	32.9	53%	0.534	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-39.2	-179	-56.9	0	0	0	0	111.8	A691 I692 I693 C698 A699	A691-T695 WeakPolarHBondContact O-CB 3.21Å; A691-T695 PolarHBondContact O-N 3.05Å; A691-T695 PolarHBondContact O-OG1 3.07Å; I692-T695 WeakPolarHBondContact O-CB 3.23Å; I692-T695 PolarHBondContact O-N 3.3Å; I692-T695 VanDerWaalsContact O-N 3.08Å; I693-T695 VanDerWaalsContact C-N 3.3Å; I693-T695 PolarHBondContact O-N 2.81Å; T695-C698 PolarHBondContact O-N 3.42Å; T695-A699 WeakPolarHBondContact O-CB 3.4Å; T695-A699 PolarHBondContact O-N 2.93Å
696	T	85.2	Confident	82.5	Confident	10 Å²	10	33.7 Å²	33.7	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-41	177.5	54.8	0	0	0	0	111.8	I21 I692 I693 V694 A699 C700 N733 L740	I21-T696 HydrophobicContact CD1-CG2 3.99Å; I692-T696 PolarHBondContact O-N 2.96Å; I692-T696 PolarHBondContact O-OG1 2.86Å; I693-T696 PolarHBondContact O-N 3.35Å; I693-T696 PolarHBondContact O-OG1 3.16Å; V694-T696 PolarHBondContact O-N 3.46Å; T696-A699 PolarHBondContact O-N 3.05Å; T696-C700 PolarHBondContact O-N 3.22Å; T696-C700 PolarHBondContact O-SG 2.87Å; T696-N733 PolarHBondContact OG1-OD1 3.33Å; T696-L740 HydrophobicContact CG2-CD1 3.9Å
697	D	85.5	Confident	83.8	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-46	175	-169.1	75.2	0	0	0	111.7	L565 I693 V694 A699 C700 W701 N733	L565-D697 HydrophobicContact CD1-CB 3.43Å; L565-D697 VanDerWaalsContact CD1-CB 3.43Å; L565-D697 WeakPolarHBondContact CD1-OD2 3.09Å; I693-D697 PolarHBondContact O-N 2.76Å; I693-D697 VanDerWaalsContact O-N 3.14Å; V694-D697 PolarHBondContact O-N 3.17Å; D697-A699 VanDerWaalsContact C-N 3.28Å; D697-A699 PolarHBondContact O-N 3.49Å; D697-C700 PolarHBondContact O-N 3.15Å; D697-C700 VanDerWaalsContact O-N 3.1Å; D697-W701 VanDerWaalsContact O-CD1 3.25Å; D697-W701 PolarHBondContact O-N 3.39Å; D697-W701 PolarHBondContact OD1-NE1 2.88Å; D697-W701 VanDerWaalsContact OD2-CD1 3.24Å; D697-W701 PolarHBondContact OD2-NE1 2.94Å; D697-N733 WeakPolarHBondContact CB-ND2 3.42Å; D697-N733 PolarHBondContact N-OD1 2.77Å; D697-N733 PolarHBondContact OD1-ND2 2.8Å
698	C	86.9	Confident	85.1	Confident	26 Å²	26	31.5 Å²	31.5	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-43.6	173.6	-66.8	0	0	0	0	112.2	L654 V694 T695 C700 W701 L702	L654-C698 HydrophobicContact CD2-CB 3.77Å; L654-C698 WeakPolarHBondContact CD2-SG 3.39Å; V694-C698 WeakPolarHBondContact O-CB 3.5Å; V694-C698 PolarHBondContact O-N 2.96Å; V694-C698 PolarHBondContact O-SG 3.34Å; T695-C698 PolarHBondContact O-N 3.42Å; C698-C700 PolarHBondContact O-N 3.08Å; C698-W701 PolarHBondContact O-N 3.19Å; C698-L702 WeakPolarHBondContact O-CB 3.41Å; C698-L702 VanDerWaalsContact O-CG 3.25Å; C698-L702 WeakPolarHBondContact O-CG 3.19Å; C698-L702 PolarHBondContact O-N 3.14Å
699	A	88.9	Confident	86.3	Confident	31 Å²	31	32.1 Å²	32.1	26%	0.256	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-26.1	-179	0	0	0	0	0	113	I17 T695 T696 D697 P703	I17-A699 HydrophobicContact CD1-CB 4.31Å; T695-A699 WeakPolarHBondContact O-CB 3.4Å; T695-A699 PolarHBondContact O-N 2.93Å; T696-A699 PolarHBondContact O-N 3.05Å; D697-A699 VanDerWaalsContact C-N 3.28Å; D697-A699 PolarHBondContact O-N 3.49Å; A699-P703 WeakPolarHBondContact O-CD 3.39Å; A699-P703 WeakPolarHBondContact O-CG 3.45Å
700	C	89.3	Confident	87.3	Confident	13 Å²	13	30.9 Å²	30.9	9%	0.088	19%	0.188	C	C	.	.	H	α-helix	trans	-83.1	-39.1	177	-58.2	0	0	0	0	111.8	T696 D697 C698 I704 V729 V732	T696-C700 PolarHBondContact O-N 3.22Å; T696-C700 PolarHBondContact O-SG 2.87Å; D697-C700 PolarHBondContact O-N 3.15Å; D697-C700 VanDerWaalsContact O-N 3.1Å; C698-C700 PolarHBondContact O-N 3.08Å; C700-I704 WeakPolarHBondContact O-CD1 3.31Å; C700-V729 HydrophobicContact CB-CG1 4.39Å; C700-V732 WeakPolarHBondContact SG-CG1 2.89Å
701	W	89.8	Confident	88	Confident	10 Å²	10	31 Å²	31	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-77.1	-34	-177.9	-76.6	113.4	0	0	0	114.2	C558 T562 F646 N650 L654 D697 C698 I704 I705 L730	C558-W701 HydrophobicContact CB-CH2 3.82Å; C558-W701 HydrophobicContact CB-CZ2 3.78Å; T562-W701 PolarHBondContact OG1-NE1 3.47Å; F646-W701 AromaticContact CD1-CH2 3.68Å; F646-W701 HydrophobicContact CD1-CH2 3.68Å; F646-W701 AromaticContact CD1-CZ3 3.58Å; F646-W701 HydrophobicContact CD1-CZ3 3.58Å; F646-W701 AromaticContact CE1-CH2 3.88Å; F646-W701 HydrophobicContact CE1-CH2 3.88Å; F646-W701 HydrophobicContact CE1-CZ3 4.22Å; N650-W701 VanDerWaalsContact ND2-CE3 3.34Å; N650-W701 VanDerWaalsContact ND2-CZ3 3.34Å; N650-W701 WeakPolarHBondContact ND2-CZ3 3.21Å; L654-W701 HydrophobicContact CD1-CB 4.41Å; D697-W701 VanDerWaalsContact O-CD1 3.25Å; D697-W701 PolarHBondContact O-N 3.39Å; D697-W701 PolarHBondContact OD1-NE1 2.88Å; D697-W701 VanDerWaalsContact OD2-CD1 3.24Å; D697-W701 PolarHBondContact OD2-NE1 2.94Å; C698-W701 PolarHBondContact O-N 3.19Å; W701-I704 HydrophobicContact CE3-CB 4.41Å; W701-I704 HydrophobicContact CE3-CD1 4.22Å; W701-I704 HydrophobicContact CE3-CG2 4.25Å; W701-I704 HydrophobicContact CZ3-CD1 4.34Å; W701-I704 HydrophobicContact CZ3-CG2 4.27Å; W701-I704 PolarHBondContact O-N 3.38Å; W701-I705 HydrophobicContact CB-CD1 4.34Å; W701-I705 VanDerWaalsContact O-CG1 3.3Å; W701-I705 WeakPolarHBondContact O-CG1 3.21Å; W701-I705 PolarHBondContact O-N 3.06Å; W701-L730 HydrophobicContact CE3-CD1 4.47Å; W701-L730 HydrophobicContact CH2-CD1 3.42Å; W701-L730 VanDerWaalsContact CH2-CD1 3.42Å; W701-L730 HydrophobicContact CZ2-CD1 3.9Å; W701-L730 HydrophobicContact CZ3-CD1 3.73Å
702	L	90.2	Very high	88.6	Confident	97 Å²	97	31.3 Å²	31.3	51%	0.508	19%	0.187	S	C	.	.	H	α-helix	trans	-57.3	-49.9	-178.2	-78.2	170.2	0	0	0	113	L654 C698 I704 I705 V706	L654-L702 HydrophobicContact CD1-CD2 4.06Å; L654-L702 HydrophobicContact CD1-CG 4.32Å; C698-L702 WeakPolarHBondContact O-CB 3.41Å; C698-L702 VanDerWaalsContact O-CG 3.25Å; C698-L702 WeakPolarHBondContact O-CG 3.19Å; C698-L702 PolarHBondContact O-N 3.14Å; L702-I704 VanDerWaalsContact C-N 3.32Å; L702-I704 PolarHBondContact O-N 3.18Å; L702-I705 PolarHBondContact O-N 3.28Å; L702-V706 VanDerWaalsContact O-CG2 3.31Å; L702-V706 WeakPolarHBondContact O-CG2 3.37Å; L702-V706 PolarHBondContact O-N 3.27Å
703	P	91.9	Very high	89.2	Confident	53 Å²	53	33.6 Å²	33.6	34%	0.344	21%	0.206	S	C	.	.	H	α-helix	trans	-58.9	-41.1	175.6	-25.1	34.4	0	0	0	113.1	A699 V706 V707 L725	A699-P703 WeakPolarHBondContact O-CD 3.39Å; A699-P703 WeakPolarHBondContact O-CG 3.45Å; P703-V706 PolarHBondContact O-N 3.49Å; P703-V707 WeakPolarHBondContact O-CB 3.49Å; P703-V707 WeakPolarHBondContact O-CG2 3.38Å; P703-V707 PolarHBondContact O-N 3.08Å; P703-L725 HydrophobicContact CB-CD2 4.09Å
704	I	91.3	Very high	89.5	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-45.5	-179.7	-68.1	172.8	0	0	0	111	L629 C700 W701 L702 K708 L725 L730	L629-I704 HydrophobicContact CD1-CG2 3.71Å; L629-I704 HydrophobicContact CD2-CG2 3.65Å; L629-I704 HydrophobicContact CG-CG2 4.3Å; C700-I704 WeakPolarHBondContact O-CD1 3.31Å; W701-I704 HydrophobicContact CE3-CB 4.41Å; W701-I704 HydrophobicContact CE3-CD1 4.22Å; W701-I704 HydrophobicContact CE3-CG2 4.25Å; W701-I704 HydrophobicContact CZ3-CD1 4.34Å; W701-I704 HydrophobicContact CZ3-CG2 4.27Å; W701-I704 PolarHBondContact O-N 3.38Å; L702-I704 VanDerWaalsContact C-N 3.32Å; L702-I704 PolarHBondContact O-N 3.18Å; I704-K708 VanDerWaalsContact O-CB 3.29Å; I704-K708 WeakPolarHBondContact O-CB 3.49Å; I704-K708 PolarHBondContact O-N 2.81Å; I704-L725 HydrophobicContact CG1-CD2 4.11Å; I704-L730 HydrophobicContact CD1-CB 3.82Å; I704-L730 HydrophobicContact CD1-CD1 3.68Å; I704-L730 HydrophobicContact CD1-CG 4.35Å
705	I	92.5	Very high	89.8	Confident	12 Å²	12	39.4 Å²	39.4	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-46.4	177.7	-68.5	163.6	0	0	0	110.4	F646 I647 N650 L654 W701 L702 K708 L709	F646-I705 WeakPolarHBondContact O-CG1 3.39Å; I647-I705 HydrophobicContact CG2-CG2 4.2Å; N650-I705 HydrophobicContact CB-CD1 4.08Å; L654-I705 HydrophobicContact CD1-CD1 3.74Å; W701-I705 HydrophobicContact CB-CD1 4.34Å; W701-I705 VanDerWaalsContact O-CG1 3.3Å; W701-I705 WeakPolarHBondContact O-CG1 3.21Å; W701-I705 PolarHBondContact O-N 3.06Å; L702-I705 PolarHBondContact O-N 3.28Å; I705-K708 PolarHBondContact O-N 2.91Å; I705-L709 HydrophobicContact CG2-CD1 4.02Å; I705-L709 WeakPolarHBondContact O-CG 3.42Å; I705-L709 PolarHBondContact O-N 3.34Å
706	V	93.6	Very high	89.7	Confident	92 Å²	92	44.6 Å²	44.6	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-47.8	-179.8	170.6	0	0	0	0	111.1	L702 P703 K708 L709 A710	L702-V706 VanDerWaalsContact O-CG2 3.31Å; L702-V706 WeakPolarHBondContact O-CG2 3.37Å; L702-V706 PolarHBondContact O-N 3.27Å; P703-V706 PolarHBondContact O-N 3.49Å; V706-K708 PolarHBondContact O-N 3.32Å; V706-L709 PolarHBondContact O-N 3.29Å; V706-A710 PolarHBondContact O-N 2.91Å
707	V	92.6	Very high	89.6	Confident	18 Å²	18	46.2 Å²	46.2	11%	0.109	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-38.9	179.6	171	0	0	0	0	111.4	I631 P703 L709 A710 A711 I717 L721 L725	I631-V707 HydrophobicContact CD1-CG1 4.21Å; I631-V707 HydrophobicContact CG2-CG1 4.12Å; P703-V707 WeakPolarHBondContact O-CB 3.49Å; P703-V707 WeakPolarHBondContact O-CG2 3.38Å; P703-V707 PolarHBondContact O-N 3.08Å; V707-L709 PolarHBondContact O-N 1.99Å; V707-A710 PolarHBondContact O-N 2.88Å; V707-A711 WeakPolarHBondContact O-CB 3.1Å; V707-A711 PolarHBondContact O-N 3.02Å; V707-I717 HydrophobicContact CG1-CD1 4.2Å; V707-I717 HydrophobicContact CG1-CG1 4.23Å; V707-I717 HydrophobicContact CG1-CG2 3.86Å; V707-L721 HydrophobicContact CG2-CD2 4.09Å; V707-L725 HydrophobicContact CB-CD1 3.84Å; V707-L725 HydrophobicContact CG1-CD1 3.8Å; V707-L725 HydrophobicContact CG2-CD1 3.9Å
708	K	91.6	Very high	89.7	Confident	1 Å²	1	49 Å²	49	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-40.2	175	-177.9	68.2	-174.8	-167.8	0	112.1	L629 H630 I631 I647 I704 I705 V706 A711 L712	L629-K708 WeakPolarHBondContact O-CD 3.2Å; L629-K708 WeakPolarHBondContact O-CE 3.3Å; L629-K708 PolarHBondContact O-NZ 2.81Å; H630-K708 PolarHBondContact O-NZ 2.83Å; I631-K708 HydrophobicContact CG1-CB 4.36Å; I631-K708 HydrophobicContact CG1-CD 3.96Å; I647-K708 HydrophobicContact CD1-CB 4.31Å; I647-K708 HydrophobicContact CD1-CG 3.6Å; I647-K708 HydrophobicContact CG1-CB 4.38Å; I647-K708 HydrophobicContact CG1-CG 3.89Å; I704-K708 VanDerWaalsContact O-CB 3.29Å; I704-K708 WeakPolarHBondContact O-CB 3.49Å; I704-K708 PolarHBondContact O-N 2.81Å; I705-K708 PolarHBondContact O-N 2.91Å; V706-K708 PolarHBondContact O-N 3.32Å; K708-A711 PolarHBondContact O-N 2.83Å; K708-L712 HydrophobicContact CG-CD1 4.33Å; K708-L712 WeakPolarHBondContact O-CG 3.49Å; K708-L712 PolarHBondContact O-N 2.86Å
709	L	93.3	Very high	89.4	Confident	88 Å²	88	51.3 Å²	51.3	46%	0.461	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-40.5	174.3	-74.1	170.8	0	0	0	112	I647 I705 V706 V707 L712 S713	I647-L709 HydrophobicContact CD1-CD2 3.95Å; I647-L709 HydrophobicContact CD1-CG 4.27Å; I647-L709 HydrophobicContact CG2-CD2 4.22Å; I647-L709 HydrophobicContact CG2-CG 4.45Å; I705-L709 HydrophobicContact CG2-CD1 4.02Å; I705-L709 WeakPolarHBondContact O-CG 3.42Å; I705-L709 PolarHBondContact O-N 3.34Å; V706-L709 PolarHBondContact O-N 3.29Å; V707-L709 PolarHBondContact O-N 1.99Å; L709-L712 PolarHBondContact O-N 2.81Å; L709-S713 PolarHBondContact O-N 2.98Å
710	A	93.2	Very high	89.2	Confident	28 Å²	28	54.5 Å²	54.5	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-45.5	175.1	0	0	0	0	0	111.3	V706 V707 L712 S713 G714 C715 I717	V706-A710 PolarHBondContact O-N 2.91Å; V707-A710 PolarHBondContact O-N 2.88Å; A710-L712 PolarHBondContact O-N 2.83Å; A710-S713 WeakPolarHBondContact CA-OG 3.36Å; A710-S713 PolarHBondContact O-N 2.58Å; A710-S713 PolarHBondContact O-OG 2.86Å; A710-G714 PolarHBondContact O-N 2.74Å; A710-C715 HydrophobicContact CB-CB 4.27Å; A710-C715 WeakPolarHBondContact O-CB 3.47Å; A710-C715 PolarHBondContact O-N 2.84Å; A710-C715 VanDerWaalsContact O-N 3.11Å; A710-I717 HydrophobicContact CB-CD1 4.03Å
711	A	89.8	Confident	89.2	Confident	6 Å²	6	56.4 Å²	56.4	5%	0.05	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-44.1	175.2	0	0	0	0	0	112.1	P634 V707 K708 S713 G714 I717	P634-A711 HydrophobicContact CB-CB 4.19Å; V707-A711 WeakPolarHBondContact O-CB 3.1Å; V707-A711 PolarHBondContact O-N 3.02Å; K708-A711 PolarHBondContact O-N 2.83Å; A711-S713 PolarHBondContact O-N 3.27Å; A711-G714 PolarHBondContact O-N 2.8Å; A711-G714 VanDerWaalsContact O-N 3.08Å; A711-I717 HydrophobicContact CB-CG1 3.99Å
712	L	90.3	Very high	89.1	Confident	34 Å²	34	56.1 Å²	56.1	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-68.8	-15.2	175.7	-71.6	171.1	0	0	0	114.1	P634 Y635 W639 A643 I647 K708 L709 A710 G714	P634-L712 HydrophobicContact CB-CD2 4.08Å; Y635-L712 HydrophobicContact CD1-CD2 4.44Å; Y635-L712 HydrophobicContact CE1-CD2 3.97Å; Y635-L712 PolarHBondContact OH-O 3Å; W639-L712 HydrophobicContact CE3-CD2 3.67Å; W639-L712 HydrophobicContact CZ3-CD2 3.78Å; A643-L712 HydrophobicContact CB-CD1 4.35Å; I647-L712 HydrophobicContact CD1-CD1 3.72Å; K708-L712 HydrophobicContact CG-CD1 4.33Å; K708-L712 WeakPolarHBondContact O-CG 3.49Å; K708-L712 PolarHBondContact O-N 2.86Å; L709-L712 PolarHBondContact O-N 2.81Å; A710-L712 PolarHBondContact O-N 2.83Å; L712-G714 VanDerWaalsContact C-N 3.32Å
713	S	92.3	Very high	89.1	Confident	85 Å²	85	51.7 Å²	51.7	59%	0.594	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-1	172.7	72.2	0	0	0	0	113.3	L709 A710 A711 C715	L709-S713 PolarHBondContact O-N 2.98Å; A710-S713 WeakPolarHBondContact CA-OG 3.36Å; A710-S713 PolarHBondContact O-N 2.58Å; A710-S713 PolarHBondContact O-OG 2.86Å; A711-S713 PolarHBondContact O-N 3.27Å; S713-C715 PolarHBondContact OG-SG 2.92Å; S713-C715 VanDerWaalsContact OG-SG 3.37Å
714	G	86.2	Confident	89.1	Confident	61 Å²	61	50.6 Å²	50.6	63%	0.629	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	15	-177.6	0	0	0	0	0	114.3	A710 A711 L712	A710-G714 PolarHBondContact O-N 2.74Å; A711-G714 PolarHBondContact O-N 2.8Å; A711-G714 VanDerWaalsContact O-N 3.08Å; L712-G714 VanDerWaalsContact C-N 3.32Å
715	C	88.4	Confident	89.1	Confident	69 Å²	69	50.9 Å²	50.9	47%	0.466	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-75.7	130.3	172	-64.2	0	0	0	0	109.9	A710 S713 I717	A710-C715 HydrophobicContact CB-CB 4.27Å; A710-C715 WeakPolarHBondContact O-CB 3.47Å; A710-C715 PolarHBondContact O-N 2.84Å; A710-C715 VanDerWaalsContact O-N 3.11Å; S713-C715 PolarHBondContact OG-SG 2.92Å; S713-C715 VanDerWaalsContact OG-SG 3.37Å; C715-I717 PolarHBondContact O-N 2.94Å
716	E	81	Confident	89	Confident	196 Å²	196	50.4 Å²	50.4	92%	0.916	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-66.1	122.1	172.4	-68.8	179	179.8	0	0	110.1
717	I	84	Confident	88.9	Confident	45 Å²	45	46.3 Å²	46.3	23%	0.231	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-101	126.9	179	-55.8	-55.1	0	0	0	108.3	I631 V707 A710 A711 C715 L721	I631-I717 HydrophobicContact CG2-CG2 4.3Å; V707-I717 HydrophobicContact CG1-CD1 4.2Å; V707-I717 HydrophobicContact CG1-CG1 4.23Å; V707-I717 HydrophobicContact CG1-CG2 3.86Å; A710-I717 HydrophobicContact CB-CD1 4.03Å; A711-I717 HydrophobicContact CB-CG1 3.99Å; C715-I717 PolarHBondContact O-N 2.94Å; I717-L721 HydrophobicContact CG2-CB 4.45Å; I717-L721 HydrophobicContact CG2-CD2 4.18Å; I717-L721 HydrophobicContact CG2-CG 4.49Å
718	S	86.2	Confident	88.8	Confident	63 Å²	63	46.7 Å²	46.7	44%	0.441	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-53.2	130.5	175	-169.2	0	0	0	0	110.5	D720 L721 Y722	S718-D720 VanDerWaalsContact C-N 3.26Å; S718-D720 PolarHBondContact O-N 2.87Å; S718-L721 WeakPolarHBondContact O-CB 3.27Å; S718-L721 PolarHBondContact O-N 3.26Å; S718-Y722 PolarHBondContact O-N 3.06Å
719	P	80.8	Confident	88.8	Confident	75 Å²	75	47.6 Å²	47.6	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-56.4	-41	179.6	-20.6	29.1	0	0	0	112.2	L721 Y722 A723	P719-L721 PolarHBondContact O-N 2.8Å; P719-Y722 WeakPolarHBondContact O-CB 3.31Å; P719-Y722 PolarHBondContact O-N 3.2Å; P719-A723 PolarHBondContact O-N 3.4Å; P719-A723 VanDerWaalsContact O-N 3.11Å
720	D	85.2	Confident	88.7	Confident	98 Å²	98	43.9 Å²	43.9	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-55.9	-44.5	174	-67.6	-33.3	0	0	0	113.7	S718 Y722 A723 W724	S718-D720 VanDerWaalsContact C-N 3.26Å; S718-D720 PolarHBondContact O-N 2.87Å; D720-Y722 VanDerWaalsContact C-N 3.26Å; D720-Y722 PolarHBondContact O-N 3.3Å; D720-A723 WeakPolarHBondContact O-CB 3.32Å; D720-A723 PolarHBondContact O-N 3.05Å; D720-A723 VanDerWaalsContact O-N 3.13Å; D720-W724 PolarHBondContact O-N 3.1Å
721	L	89.7	Confident	88.6	Confident	52 Å²	52	42.6 Å²	42.6	27%	0.272	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-41	-178.8	175.9	59.7	0	0	0	110.3	V707 I717 S718 P719 W724 L725	V707-L721 HydrophobicContact CG2-CD2 4.09Å; I717-L721 HydrophobicContact CG2-CB 4.45Å; I717-L721 HydrophobicContact CG2-CD2 4.18Å; I717-L721 HydrophobicContact CG2-CG 4.49Å; S718-L721 WeakPolarHBondContact O-CB 3.27Å; S718-L721 PolarHBondContact O-N 3.26Å; P719-L721 PolarHBondContact O-N 2.8Å; L721-W724 PolarHBondContact O-N 2.91Å; L721-L725 HydrophobicContact CD1-CD1 4.46Å; L721-L725 HydrophobicContact CD1-CG 4.37Å; L721-L725 HydrophobicContact CG-CD1 4.34Å; L721-L725 VanDerWaalsContact O-CG 3.29Å; L721-L725 WeakPolarHBondContact O-CG 3.05Å; L721-L725 PolarHBondContact O-N 2.79Å; L721-L725 VanDerWaalsContact O-N 3.07Å
722	Y	87.9	Confident	88.8	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-44.1	175.1	171.7	-123.1	0	0	0	111.8	I457 N623 I631 H632 S718 P719 D720 W724 L725 A726	I457-Y722 HydrophobicContact CD1-CD1 3.8Å; I457-Y722 HydrophobicContact CD1-CE1 3.31Å; I457-Y722 HydrophobicContact CG1-CD1 3.8Å; I457-Y722 HydrophobicContact CG1-CE1 3.73Å; N623-Y722 PolarHBondContact ND2-OH 3.41Å; I631-Y722 HydrophobicContact CB-CD2 3.56Å; I631-Y722 HydrophobicContact CB-CE2 3.78Å; I631-Y722 HydrophobicContact CB-CG 4.39Å; I631-Y722 HydrophobicContact CD1-CD2 4.09Å; I631-Y722 HydrophobicContact CD1-CE2 4.4Å; I631-Y722 HydrophobicContact CG1-CD2 4.4Å; I631-Y722 HydrophobicContact CG2-CD2 3.74Å; I631-Y722 HydrophobicContact CG2-CE2 4.45Å; I631-Y722 HydrophobicContact CG2-CG 4.19Å; H632-Y722 HydrophobicContact CB-CD1 4.19Å; H632-Y722 HydrophobicContact CB-CE1 4.03Å; S718-Y722 PolarHBondContact O-N 3.06Å; P719-Y722 WeakPolarHBondContact O-CB 3.31Å; P719-Y722 PolarHBondContact O-N 3.2Å; D720-Y722 VanDerWaalsContact C-N 3.26Å; D720-Y722 PolarHBondContact O-N 3.3Å; Y722-W724 PolarHBondContact O-N 2.94Å; Y722-L725 PolarHBondContact O-N 2.78Å; Y722-A726 HydrophobicContact CE2-CB 4.33Å; Y722-A726 PolarHBondContact O-N 3.08Å
723	A	89.5	Confident	88.8	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-47.8	176.9	0	0	0	0	0	112.7	G456 I457 L469 P719 D720 L725 A726 V727	G456-A723 WeakPolarHBondContact O-CB 3.23Å; I457-A723 HydrophobicContact CG1-CB 3.9Å; L469-A723 HydrophobicContact CD1-CB 3.56Å; P719-A723 PolarHBondContact O-N 3.4Å; P719-A723 VanDerWaalsContact O-N 3.11Å; D720-A723 WeakPolarHBondContact O-CB 3.32Å; D720-A723 PolarHBondContact O-N 3.05Å; D720-A723 VanDerWaalsContact O-N 3.13Å; A723-L725 VanDerWaalsContact C-N 3.3Å; A723-L725 PolarHBondContact O-N 2.77Å; A723-A726 PolarHBondContact O-N 2.95Å; A723-V727 VanDerWaalsContact O-CB 3.22Å; A723-V727 WeakPolarHBondContact O-CB 3.34Å; A723-V727 WeakPolarHBondContact O-CG2 3.02Å; A723-V727 PolarHBondContact O-N 2.85Å
724	W	91.8	Very high	88.8	Confident	30 Å²	30	38 Å²	38	11%	0.114	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-38.1	176.8	-75.2	103.7	0	0	0	112.5	I468 L469 D720 L721 Y722 L728 V729	I468-W724 HydrophobicContact CB-CH2 4.43Å; I468-W724 HydrophobicContact CG2-CH2 3.86Å; L469-W724 HydrophobicContact CD1-CD2 4.47Å; L469-W724 HydrophobicContact CD2-CD2 3.65Å; L469-W724 HydrophobicContact CD2-CE3 3.33Å; L469-W724 HydrophobicContact CD2-CG 4.38Å; L469-W724 HydrophobicContact CD2-CH2 3.89Å; L469-W724 HydrophobicContact CD2-CZ2 4.17Å; L469-W724 HydrophobicContact CD2-CZ3 3.46Å; L469-W724 VanDerWaalsContact CD2-CZ3 3.46Å; L469-W724 HydrophobicContact CG-CD2 4.34Å; L469-W724 HydrophobicContact CG-CE3 4.4Å; L469-W724 HydrophobicContact CG-CH2 4.38Å; L469-W724 HydrophobicContact CG-CZ2 4.33Å; L469-W724 HydrophobicContact CG-CZ3 4.41Å; D720-W724 PolarHBondContact O-N 3.1Å; L721-W724 PolarHBondContact O-N 2.91Å; Y722-W724 PolarHBondContact O-N 2.94Å; W724-L728 HydrophobicContact CE3-CB 4.16Å; W724-L728 HydrophobicContact CE3-CD2 3.64Å; W724-L728 HydrophobicContact CZ3-CD2 3.73Å; W724-L728 WeakPolarHBondContact O-CA 3.29Å; W724-L728 WeakPolarHBondContact O-CB 3.1Å; W724-L728 PolarHBondContact O-N 2.99Å; W724-V729 PolarHBondContact O-N 2.94Å
725	L	92.3	Very high	89	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	20%	0.195	C	C	.	.	I	π-helix	trans	-66.4	-47.6	177.8	-71.2	175.3	0	0	0	112.3	I631 P703 I704 V707 L721 Y722 A723 V729 L730	I631-L725 HydrophobicContact CD1-CD1 4.4Å; P703-L725 HydrophobicContact CB-CD2 4.09Å; I704-L725 HydrophobicContact CG1-CD2 4.11Å; V707-L725 HydrophobicContact CB-CD1 3.84Å; V707-L725 HydrophobicContact CG1-CD1 3.8Å; V707-L725 HydrophobicContact CG2-CD1 3.9Å; L721-L725 HydrophobicContact CD1-CD1 4.46Å; L721-L725 HydrophobicContact CD1-CG 4.37Å; L721-L725 HydrophobicContact CG-CD1 4.34Å; L721-L725 VanDerWaalsContact O-CG 3.29Å; L721-L725 WeakPolarHBondContact O-CG 3.05Å; L721-L725 PolarHBondContact O-N 2.79Å; L721-L725 VanDerWaalsContact O-N 3.07Å; Y722-L725 PolarHBondContact O-N 2.78Å; A723-L725 VanDerWaalsContact C-N 3.3Å; A723-L725 PolarHBondContact O-N 2.77Å; L725-V729 HydrophobicContact CD2-CB 4Å; L725-V729 HydrophobicContact CD2-CG1 4.14Å; L725-V729 HydrophobicContact CD2-CG2 4.01Å; L725-V729 PolarHBondContact O-N 3.13Å; L725-L730 VanDerWaalsContact O-CB 3.29Å; L725-L730 WeakPolarHBondContact O-CB 3.13Å; L725-L730 PolarHBondContact O-N 3.29Å
726	A	90	Very high	89	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.183	C	C	.	.	I	π-helix	trans	-69.9	-43.1	-177	0	0	0	0	0	112.3	I457 V625 L627 Y722 A723 P731	I457-A726 HydrophobicContact CD1-CB 4Å; V625-A726 HydrophobicContact CG2-CB 4.45Å; L627-A726 HydrophobicContact CD2-CB 3.85Å; Y722-A726 HydrophobicContact CE2-CB 4.33Å; Y722-A726 PolarHBondContact O-N 3.08Å; A723-A726 PolarHBondContact O-N 2.95Å; A726-P731 WeakPolarHBondContact O-CD 3.37Å
727	V	90.2	Very high	89.3	Confident	6 Å²	6	24.5 Å²	24.5	4%	0.036	14%	0.139	C	C	.	.	I	π-helix	trans	-90.3	-33.4	-169.1	179.4	0	0	0	0	112.9	I457 L464 L469 V473 A723 P731	I457-V727 HydrophobicContact CG2-CG2 4.44Å; L464-V727 HydrophobicContact CD2-CG2 3.95Å; L469-V727 HydrophobicContact CB-CG1 4.06Å; L469-V727 HydrophobicContact CD2-CB 4.22Å; L469-V727 HydrophobicContact CD2-CG1 4.13Å; V473-V727 HydrophobicContact CG2-CG1 3.18Å; A723-V727 VanDerWaalsContact O-CB 3.22Å; A723-V727 WeakPolarHBondContact O-CB 3.34Å; A723-V727 WeakPolarHBondContact O-CG2 3.02Å; A723-V727 PolarHBondContact O-N 2.85Å; V727-P731 WeakPolarHBondContact O-CG 3.33Å
728	L	91.4	Very high	89.3	Confident	27 Å²	27	22.7 Å²	22.7	14%	0.141	13%	0.13	C	C	.	.	I	π-helix	trans	-113	-61.2	-176.8	-175.3	69.7	0	0	0	112.3	M476 W724 L730 P731 V732	M476-L728 HydrophobicContact CG-CD1 4.31Å; W724-L728 HydrophobicContact CE3-CB 4.16Å; W724-L728 HydrophobicContact CE3-CD2 3.64Å; W724-L728 HydrophobicContact CZ3-CD2 3.73Å; W724-L728 WeakPolarHBondContact O-CA 3.29Å; W724-L728 WeakPolarHBondContact O-CB 3.1Å; W724-L728 PolarHBondContact O-N 2.99Å; L728-L730 PolarHBondContact O-N 3.15Å; L728-P731 VanDerWaalsContact O-CD 3.26Å; L728-P731 WeakPolarHBondContact O-CD 3.4Å; L728-P731 WeakPolarHBondContact O-CG 3.49Å; L728-V732 VanDerWaalsContact O-CB 3.3Å; L728-V732 WeakPolarHBondContact O-CB 3.01Å; L728-V732 PolarHBondContact O-N 2.79Å
729	V	92.5	Very high	89.1	Confident	20 Å²	20	22.8 Å²	22.8	12%	0.121	13%	0.128	C	C	.	.	I	π-helix	trans	-65.4	-43.1	-167.9	179.4	0	0	0	0	112.2	C700 W724 L725 V732	C700-V729 HydrophobicContact CB-CG1 4.39Å; W724-V729 PolarHBondContact O-N 2.94Å; L725-V729 HydrophobicContact CD2-CB 4Å; L725-V729 HydrophobicContact CD2-CG1 4.14Å; L725-V729 HydrophobicContact CD2-CG2 4.01Å; L725-V729 PolarHBondContact O-N 3.13Å; V729-V732 VanDerWaalsContact O-CG1 3.29Å; V729-V732 WeakPolarHBondContact O-CG1 3.3Å
730	L	90.6	Very high	88.9	Confident	10 Å²	10	19.6 Å²	19.6	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-52.4	178.2	178.7	68.9	0	0	0	112.3	L627 W701 I704 L725 L728	L627-L730 HydrophobicContact CD1-CD2 3.64Å; L627-L730 HydrophobicContact CD2-CD2 4.07Å; W701-L730 HydrophobicContact CE3-CD1 4.47Å; W701-L730 HydrophobicContact CH2-CD1 3.42Å; W701-L730 VanDerWaalsContact CH2-CD1 3.42Å; W701-L730 HydrophobicContact CZ2-CD1 3.9Å; W701-L730 HydrophobicContact CZ3-CD1 3.73Å; I704-L730 HydrophobicContact CD1-CB 3.82Å; I704-L730 HydrophobicContact CD1-CD1 3.68Å; I704-L730 HydrophobicContact CD1-CG 4.35Å; L725-L730 VanDerWaalsContact O-CB 3.29Å; L725-L730 WeakPolarHBondContact O-CB 3.13Å; L725-L730 PolarHBondContact O-N 3.29Å; L728-L730 PolarHBondContact O-N 3.15Å
731	P	91.7	Very high	88.1	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-78.4	-15	-179.2	27.3	-35.3	0	0	0	115.5	M476 M516 L520 A726 V727 L728 N733 S734 A735	M476-P731 HydrophobicContact CE-CB 3.95Å; M476-P731 HydrophobicContact CE-CG 4.35Å; M476-P731 WeakPolarHBondContact CE-O 3.48Å; M516-P731 HydrophobicContact CG-CB 4.04Å; M516-P731 HydrophobicContact SD-CB 4.32Å; L520-P731 HydrophobicContact CD1-CB 3.55Å; L520-P731 HydrophobicContact CD1-CG 4.23Å; L520-P731 HydrophobicContact CD2-CB 4.02Å; L520-P731 HydrophobicContact CD2-CG 4.02Å; L520-P731 HydrophobicContact CG-CB 4.22Å; A726-P731 WeakPolarHBondContact O-CD 3.37Å; V727-P731 WeakPolarHBondContact O-CG 3.33Å; L728-P731 VanDerWaalsContact O-CD 3.26Å; L728-P731 WeakPolarHBondContact O-CD 3.4Å; L728-P731 WeakPolarHBondContact O-CG 3.49Å; P731-N733 PolarHBondContact O-N 3.22Å; P731-N733 VanDerWaalsContact O-N 3.12Å; P731-S734 PolarHBondContact O-N 3.08Å; P731-A735 PolarHBondContact O-N 3.19Å
732	V	92.2	Very high	87	Confident	19 Å²	19	16.1 Å²	16.1	12%	0.115	9%	0.091	C	C	.	.	H	α-helix	trans	-52.8	-39.4	-172.8	79.2	0	0	0	0	112.5	M476 C700 L728 V729 S734 A735 L736	M476-V732 HydrophobicContact CE-CB 4.36Å; M476-V732 HydrophobicContact SD-CG2 4.41Å; C700-V732 WeakPolarHBondContact SG-CG1 2.89Å; L728-V732 VanDerWaalsContact O-CB 3.3Å; L728-V732 WeakPolarHBondContact O-CB 3.01Å; L728-V732 PolarHBondContact O-N 2.79Å; V729-V732 VanDerWaalsContact O-CG1 3.29Å; V729-V732 WeakPolarHBondContact O-CG1 3.3Å; V732-S734 VanDerWaalsContact C-N 3.34Å; V732-S734 PolarHBondContact O-N 3.2Å; V732-A735 PolarHBondContact O-N 3.21Å; V732-L736 HydrophobicContact CG2-CD1 3.81Å; V732-L736 HydrophobicContact CG2-CG 4.14Å; V732-L736 WeakPolarHBondContact O-CG 3.46Å; V732-L736 PolarHBondContact O-N 3.14Å
733	N	90.2	Very high	85.9	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-44.2	-179.8	-169.9	50.5	0	0	0	111.8	T696 D697 P731 A735 L736 N737	T696-N733 PolarHBondContact OG1-OD1 3.33Å; D697-N733 WeakPolarHBondContact CB-ND2 3.42Å; D697-N733 PolarHBondContact N-OD1 2.77Å; D697-N733 PolarHBondContact OD1-ND2 2.8Å; P731-N733 PolarHBondContact O-N 3.22Å; P731-N733 VanDerWaalsContact O-N 3.12Å; N733-A735 VanDerWaalsContact C-N 3.3Å; N733-A735 PolarHBondContact O-N 3.1Å; N733-L736 PolarHBondContact O-N 3.14Å; N733-N737 WeakPolarHBondContact O-CB 3.45Å; N733-N737 PolarHBondContact O-N 3.32Å; N733-N737 PolarHBondContact O-ND2 3.36Å; N733-N737 PolarHBondContact O-OD1 3.17Å; N733-N737 PolarHBondContact OD1-OD1 2.8Å
734	S	92.3	Very high	84.6	Confident	5 Å²	5	20.4 Å²	20.4	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-30.2	-178	-62.7	0	0	0	0	113.6	N484 D513 P731 V732 P738	N484-S734 PolarHBondContact ND2-O 3.14Å; D513-S734 VanDerWaalsContact OD1-CA 3.31Å; D513-S734 WeakPolarHBondContact OD1-CA 3.13Å; D513-S734 VanDerWaalsContact OD1-CB 3.29Å; D513-S734 WeakPolarHBondContact OD1-CB 3.38Å; D513-S734 PolarHBondContact OD1-OG 3.31Å; P731-S734 PolarHBondContact O-N 3.08Å; V732-S734 VanDerWaalsContact C-N 3.34Å; V732-S734 PolarHBondContact O-N 3.2Å; S734-P738 WeakPolarHBondContact O-CD 3.24Å
735	A	90.7	Very high	83.2	Confident	2 Å²	2	21.2 Å²	21.2	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-81	-36.1	173.4	0	0	0	0	0	113	M476 I479 A480 P731 V732 N733 P738	M476-A735 HydrophobicContact CE-CB 3.24Å; M476-A735 HydrophobicContact SD-CB 3.67Å; I479-A735 HydrophobicContact CB-CB 3.98Å; I479-A735 HydrophobicContact CG2-CB 3.77Å; I479-A735 WeakPolarHBondContact CG2-O 3.4Å; A480-A735 HydrophobicContact CB-CB 4.45Å; P731-A735 PolarHBondContact O-N 3.19Å; V732-A735 PolarHBondContact O-N 3.21Å; N733-A735 VanDerWaalsContact C-N 3.3Å; N733-A735 PolarHBondContact O-N 3.1Å; A735-P738 WeakPolarHBondContact O-CD 3.5Å
736	L	89.4	Confident	81.6	Confident	39 Å²	39	24.2 Å²	24.2	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-73.4	-30.2	-179.4	-71.3	178.5	0	0	0	112.7	L18 V732 N733 V739 L740	L18-L736 HydrophobicContact CD2-CD1 4.37Å; L18-L736 HydrophobicContact CD2-CD2 4.11Å; V732-L736 HydrophobicContact CG2-CD1 3.81Å; V732-L736 HydrophobicContact CG2-CG 4.14Å; V732-L736 WeakPolarHBondContact O-CG 3.46Å; V732-L736 PolarHBondContact O-N 3.14Å; N733-L736 PolarHBondContact O-N 3.14Å; L736-V739 WeakPolarHBondContact O-CA 3.17Å; L736-V739 WeakPolarHBondContact O-CB 3.43Å; L736-V739 PolarHBondContact O-N 3.05Å; L736-L740 WeakPolarHBondContact O-CG 3.48Å; L736-L740 PolarHBondContact O-N 2.02Å
737	N	86.9	Confident	80	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-51	-50.7	-178.2	-81.2	-14.5	0	0	0	113.9	D513 N733 V739 L740 Y741	D513-N737 WeakPolarHBondContact OD2-CB 3.39Å; D513-N737 PolarHBondContact OD2-ND2 3.22Å; N733-N737 WeakPolarHBondContact O-CB 3.45Å; N733-N737 PolarHBondContact O-N 3.32Å; N733-N737 PolarHBondContact O-ND2 3.36Å; N733-N737 PolarHBondContact O-OD1 3.17Å; N733-N737 PolarHBondContact OD1-OD1 2.8Å; N737-V739 VanDerWaalsContact C-N 3.29Å; N737-V739 PolarHBondContact O-N 2.85Å; N737-L740 PolarHBondContact O-N 3.2Å; N737-Y741 VanDerWaalsContact C-CE2 3.46Å; N737-Y741 HydrophobicContact CB-CE2 3.98Å; N737-Y741 WeakPolarHBondContact O-CD2 3.13Å; N737-Y741 VanDerWaalsContact O-CE2 3.31Å; N737-Y741 WeakPolarHBondContact O-CE2 3.48Å; N737-Y741 PolarHBondContact O-N 3.1Å
738	P	84.6	Confident	78.4	Confident	7 Å²	7	29.9 Å²	29.9	5%	0.045	18%	0.184	C	C	.	.	H	α-helix	trans	-50.3	-42.5	171	-31.2	35.2	0	0	0	115.4	G483 N484 V487 S734 A735 Y741 T742	G483-P738 VanDerWaalsContact C-CG 3.46Å; N484-P738 HydrophobicContact CB-CG 4.4Å; N484-P738 WeakPolarHBondContact ND2-CG 2.99Å; N484-P738 WeakPolarHBondContact OD1-CG 3.38Å; V487-P738 HydrophobicContact CG2-CB 4.21Å; S734-P738 WeakPolarHBondContact O-CD 3.24Å; A735-P738 WeakPolarHBondContact O-CD 3.5Å; P738-Y741 PolarHBondContact O-N 3.2Å; P738-T742 PolarHBondContact O-N 3.22Å; P738-T742 VanDerWaalsContact O-N 3.16Å; P738-T742 PolarHBondContact O-OG1 3.27Å
739	V	80.7	Confident	76.7	Confident	65 Å²	65	33.7 Å²	33.7	39%	0.394	20%	0.199	S	C	.	.	H	α-helix	trans	-68.8	-44.9	-179.5	-176.9	0	0	0	0	109.8	L736 N737 Y741 T742 L743	L736-V739 WeakPolarHBondContact O-CA 3.17Å; L736-V739 WeakPolarHBondContact O-CB 3.43Å; L736-V739 PolarHBondContact O-N 3.05Å; N737-V739 VanDerWaalsContact C-N 3.29Å; N737-V739 PolarHBondContact O-N 2.85Å; V739-Y741 VanDerWaalsContact C-N 3.28Å; V739-Y741 PolarHBondContact O-N 3.06Å; V739-T742 PolarHBondContact O-N 2.99Å; V739-L743 HydrophobicContact CG1-CD1 3.83Å; V739-L743 HydrophobicContact CG1-CG 4.11Å; V739-L743 WeakPolarHBondContact O-CG 3.36Å; V739-L743 PolarHBondContact O-N 3.19Å
740	L	77.4	Confident	75.1	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-37.7	176.1	-63.4	173.3	0	0	0	111.9	I21 I692 T696 L736 N737 T742 T744	I21-L740 HydrophobicContact CG2-CD2 4.32Å; I692-L740 HydrophobicContact CG2-CD1 4.27Å; I692-L740 HydrophobicContact CG2-CD2 3.86Å; T696-L740 HydrophobicContact CG2-CD1 3.9Å; L736-L740 WeakPolarHBondContact O-CG 3.48Å; L736-L740 PolarHBondContact O-N 2.02Å; N737-L740 PolarHBondContact O-N 3.2Å; L740-T742 VanDerWaalsContact C-N 3.34Å; L740-T744 WeakPolarHBondContact O-CB 3.42Å; L740-T744 WeakPolarHBondContact O-CG2 3.34Å; L740-T744 PolarHBondContact O-N 3.19Å; L740-T744 PolarHBondContact O-OG1 2.88Å
741	Y	69	Low	73.4	Confident	9 Å²	9	43.8 Å²	43.8	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-39.8	174.7	-54.5	-37	0	0	0	112.1	V487 L506 L509 I693 N737 P738 V739 T744 T745	V487-Y741 HydrophobicContact CB-CD2 4.49Å; V487-Y741 HydrophobicContact CG1-CD2 3.96Å; V487-Y741 HydrophobicContact CG1-CE2 4.28Å; V487-Y741 HydrophobicContact CG2-CD2 3.73Å; V487-Y741 HydrophobicContact CG2-CE2 4.41Å; L506-Y741 HydrophobicContact CD2-CD1 3.33Å; L506-Y741 HydrophobicContact CD2-CD2 4.44Å; L506-Y741 HydrophobicContact CD2-CE1 3.16Å; L506-Y741 HydrophobicContact CD2-CE2 4.34Å; L506-Y741 HydrophobicContact CD2-CG 4.01Å; L509-Y741 WeakPolarHBondContact CD2-OH 3.24Å; L509-Y741 VanDerWaalsContact CG-OH 3.29Å; L509-Y741 WeakPolarHBondContact CG-OH 3.43Å; I693-Y741 HydrophobicContact CD1-CD1 4.06Å; I693-Y741 HydrophobicContact CD1-CE1 3.49Å; I693-Y741 VanDerWaalsContact CD1-CE1 3.49Å; I693-Y741 HydrophobicContact CG1-CE1 3.99Å; N737-Y741 VanDerWaalsContact C-CE2 3.46Å; N737-Y741 HydrophobicContact CB-CE2 3.98Å; N737-Y741 WeakPolarHBondContact O-CD2 3.13Å; N737-Y741 VanDerWaalsContact O-CE2 3.31Å; N737-Y741 WeakPolarHBondContact O-CE2 3.48Å; N737-Y741 PolarHBondContact O-N 3.1Å; P738-Y741 PolarHBondContact O-N 3.2Å; V739-Y741 VanDerWaalsContact C-N 3.28Å; V739-Y741 PolarHBondContact O-N 3.06Å; Y741-T744 PolarHBondContact O-OG1 3.07Å; Y741-T745 VanDerWaalsContact O-CG2 3.29Å; Y741-T745 WeakPolarHBondContact O-CG2 3.38Å; Y741-T745 PolarHBondContact O-N 3.41Å
742	T	66.2	Low	71.7	Confident	68 Å²	68	48.1 Å²	48.1	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-53.3	-178.6	-56.4	0	0	0	0	110.7	P738 V739 L740 T744 T745 F748	P738-T742 PolarHBondContact O-N 3.22Å; P738-T742 VanDerWaalsContact O-N 3.16Å; P738-T742 PolarHBondContact O-OG1 3.27Å; V739-T742 PolarHBondContact O-N 2.99Å; L740-T742 VanDerWaalsContact C-N 3.34Å; T742-T744 PolarHBondContact O-N 2.82Å; T742-T745 PolarHBondContact O-N 3.05Å; T742-T745 VanDerWaalsContact O-N 3.08Å; T742-T745 PolarHBondContact O-OG1 3.24Å; T742-F748 HydrophobicContact CG2-CD2 4.05Å; T742-F748 HydrophobicContact CG2-CE2 4.47Å; T742-F748 HydrophobicContact CG2-CG 4.31Å; T742-F748 WeakPolarHBondContact O-CB 3.34Å
743	L	63.5	Low	70.1	Confident	80 Å²	80	56 Å²	56	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-32	-178.5	-66.5	179.2	0	0	0	113	V739 F748 K749	V739-L743 HydrophobicContact CG1-CD1 3.83Å; V739-L743 HydrophobicContact CG1-CG 4.11Å; V739-L743 WeakPolarHBondContact O-CG 3.36Å; V739-L743 PolarHBondContact O-N 3.19Å; L743-F748 HydrophobicContact CD2-CD1 4.12Å; L743-F748 HydrophobicContact CD2-CE1 3.43Å; L743-F748 VanDerWaalsContact CD2-CE1 3.43Å; L743-F748 HydrophobicContact CD2-CZ 3.98Å; L743-K749 WeakPolarHBondContact O-CE 3.49Å
744	T	62.4	Low	68.6	Low	18 Å²	18	63.9 Å²	63.9	11%	0.11	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.6	-178.7	63.1	0	0	0	0	114.2	R689 I692 L740 Y741 T742	R689-T744 WeakPolarHBondContact CD-OG1 3.12Å; R689-T744 HydrophobicContact CG-CG2 4.13Å; R689-T744 WeakPolarHBondContact CG-OG1 3.44Å; R689-T744 PolarHBondContact NE-O 3.27Å; R689-T744 PolarHBondContact NE-OG1 2.92Å; R689-T744 PolarHBondContact NH2-O 3.17Å; I692-T744 HydrophobicContact CD1-CG2 4.22Å; L740-T744 WeakPolarHBondContact O-CB 3.42Å; L740-T744 WeakPolarHBondContact O-CG2 3.34Å; L740-T744 PolarHBondContact O-N 3.19Å; L740-T744 PolarHBondContact O-OG1 2.88Å; Y741-T744 PolarHBondContact O-OG1 3.07Å; T742-T744 PolarHBondContact O-N 2.82Å
745	T	62.7	Low	66.9	Low	47 Å²	47	71.5 Å²	71.5	29%	0.288	35%	0.354	S	S	.	.	S	Bend	trans	-72.3	143.3	177.4	52	0	0	0	0	113.1	Y741 T742 A747 F748 K749	Y741-T745 VanDerWaalsContact O-CG2 3.29Å; Y741-T745 WeakPolarHBondContact O-CG2 3.38Å; Y741-T745 PolarHBondContact O-N 3.41Å; T742-T745 PolarHBondContact O-N 3.05Å; T742-T745 VanDerWaalsContact O-N 3.08Å; T742-T745 PolarHBondContact O-OG1 3.24Å; T745-A747 VanDerWaalsContact C-N 3.33Å; T745-A747 PolarHBondContact O-N 2.92Å; T745-F748 PolarHBondContact O-N 3.34Å; T745-K749 PolarHBondContact O-N 2.74Å
746	A	59.3	Low	65.3	Low	70 Å²	70	73.6 Å²	73.6	58%	0.579	37%	0.368	S	S	*	.	H	α-helix	trans	-65.1	-35.8	-177.4	0	0	0	0	0	112.7	K749 Q750	A746-K749 PolarHBondContact O-N 3.13Å; A746-Q750 WeakPolarHBondContact O-CB 3.4Å; A746-Q750 PolarHBondContact O-N 2.74Å
747	A	56.1	Low	63.8	Low	66 Å²	66	77.9 Å²	77.9	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-46	177.5	0	0	0	0	0	111.4	T745 Q750 Q751	T745-A747 VanDerWaalsContact C-N 3.33Å; T745-A747 PolarHBondContact O-N 2.92Å; A747-Q750 PolarHBondContact O-N 2.9Å; A747-Q751 PolarHBondContact O-N 3.29Å
748	F	57.3	Low	62.4	Low	61 Å²	61	82.8 Å²	82.8	27%	0.268	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-46.1	176.4	-172.5	-95.6	0	0	0	111.7	T742 L743 T745 Q750 Q751 L752	T742-F748 HydrophobicContact CG2-CD2 4.05Å; T742-F748 HydrophobicContact CG2-CE2 4.47Å; T742-F748 HydrophobicContact CG2-CG 4.31Å; T742-F748 WeakPolarHBondContact O-CB 3.34Å; L743-F748 HydrophobicContact CD2-CD1 4.12Å; L743-F748 HydrophobicContact CD2-CE1 3.43Å; L743-F748 VanDerWaalsContact CD2-CE1 3.43Å; L743-F748 HydrophobicContact CD2-CZ 3.98Å; T745-F748 PolarHBondContact O-N 3.34Å; F748-Q750 PolarHBondContact O-N 2.83Å; F748-Q751 PolarHBondContact O-N 3.35Å; F748-Q751 VanDerWaalsContact O-N 3.1Å; F748-L752 HydrophobicContact CE1-CB 4.47Å; F748-L752 HydrophobicContact CE1-CD1 4.13Å; F748-L752 HydrophobicContact CZ-CD1 4.23Å; F748-L752 WeakPolarHBondContact O-CB 3.47Å; F748-L752 PolarHBondContact O-N 3.33Å
749	K	55.9	Low	60.9	Low	106 Å²	106	86.3 Å²	86.3	46%	0.461	44%	0.435	S	S	.	.	H	α-helix	trans	-57.5	-35.9	174.6	-72.1	-171.5	177.6	-168.2	0	112.7	L743 T745 A746 R753	L743-K749 WeakPolarHBondContact O-CE 3.49Å; T745-K749 PolarHBondContact O-N 2.74Å; A746-K749 PolarHBondContact O-N 3.13Å; K749-R753 WeakPolarHBondContact O-CB 3.27Å; K749-R753 WeakPolarHBondContact O-CG 3.37Å; K749-R753 PolarHBondContact O-N 3.46Å
750	Q	57.3	Low	59.6	Low	115 Å²	115	87.8 Å²	87.8	54%	0.537	45%	0.446	S	S	.	.	H	α-helix	trans	-70.6	-39.6	177	-168.9	176.9	12.4	0	0	111.9	A746 A747 F748 R754	A746-Q750 WeakPolarHBondContact O-CB 3.4Å; A746-Q750 PolarHBondContact O-N 2.74Å; A747-Q750 PolarHBondContact O-N 2.9Å; F748-Q750 PolarHBondContact O-N 2.83Å; Q750-R754 WeakPolarHBondContact O-CG 3.48Å; Q750-R754 PolarHBondContact O-N 3.43Å; Q750-R754 VanDerWaalsContact O-N 3.08Å
751	Q	56.5	Low	58.5	Low	128 Å²	128	91.8 Å²	91.8	60%	0.598	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-44.7	172.9	-77.6	-180	-30.6	0	0	111.8	A747 F748 R753 R754 Y755	A747-Q751 PolarHBondContact O-N 3.29Å; F748-Q751 PolarHBondContact O-N 3.35Å; F748-Q751 VanDerWaalsContact O-N 3.1Å; Q751-R753 VanDerWaalsContact C-N 3.34Å; Q751-R753 PolarHBondContact O-N 3.01Å; Q751-R754 WeakPolarHBondContact O-CB 3.49Å; Q751-R754 PolarHBondContact O-N 2.73Å; Q751-R754 VanDerWaalsContact O-N 3.11Å; Q751-Y755 PolarHBondContact O-N 3.22Å
752	L	55	Low	57.4	Low	91 Å²	91	94 Å²	94	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-44	177.1	-160.3	78.5	0	0	0	111	F748 R754 Y755 C756	F748-L752 HydrophobicContact CE1-CB 4.47Å; F748-L752 HydrophobicContact CE1-CD1 4.13Å; F748-L752 HydrophobicContact CZ-CD1 4.23Å; F748-L752 WeakPolarHBondContact O-CB 3.47Å; F748-L752 PolarHBondContact O-N 3.33Å; L752-R754 VanDerWaalsContact C-N 3.35Å; L752-R754 PolarHBondContact O-N 2.95Å; L752-Y755 PolarHBondContact O-N 3.39Å; L752-Y755 VanDerWaalsContact O-N 3.15Å; L752-C756 PolarHBondContact O-N 3.36Å; L752-C756 PolarHBondContact O-SG 3.25Å; L752-C756 VanDerWaalsContact O-SG 3.39Å
753	R	58.7	Low	56.4	Low	185 Å²	185	93 Å²	93	70%	0.698	49%	0.487	S	S	*	.	H	α-helix	trans	-59.7	-42.5	173.1	-80.1	179.6	-179.7	-179.4	-1.4	112.6	K749 Q751 Y755 C756 H757	K749-R753 WeakPolarHBondContact O-CB 3.27Å; K749-R753 WeakPolarHBondContact O-CG 3.37Å; K749-R753 PolarHBondContact O-N 3.46Å; Q751-R753 VanDerWaalsContact C-N 3.34Å; Q751-R753 PolarHBondContact O-N 3.01Å; R753-Y755 VanDerWaalsContact C-N 3.29Å; R753-Y755 PolarHBondContact O-N 3.31Å; R753-C756 PolarHBondContact O-N 3.27Å; R753-H757 PolarHBondContact O-CD2 3.31Å; R753-H757 PolarHBondContact O-N 3.24Å
754	R	58.6	Low	55.4	Low	170 Å²	170	95.3 Å²	95.3	64%	0.642	50%	0.498	S	S	*	.	H	α-helix	trans	-60.9	-40.9	175.3	-76.2	176.6	177	178.1	-0.9	111.2	Q750 Q751 L752 H757 T758	Q750-R754 WeakPolarHBondContact O-CG 3.48Å; Q750-R754 PolarHBondContact O-N 3.43Å; Q750-R754 VanDerWaalsContact O-N 3.08Å; Q751-R754 WeakPolarHBondContact O-CB 3.49Å; Q751-R754 PolarHBondContact O-N 2.73Å; Q751-R754 VanDerWaalsContact O-N 3.11Å; L752-R754 VanDerWaalsContact C-N 3.35Å; L752-R754 PolarHBondContact O-N 2.95Å; R754-H757 PolarHBondContact O-N 2.9Å; R754-T758 PolarHBondContact O-N 3Å
755	Y	57.5	Low	54.5	Low	165 Å²	165	99.8 Å²	99.8	65%	0.647	53%	0.525	S	S	*	.	H	α-helix	trans	-71.4	-39.1	178.9	-146.1	-88	0	0	0	112.9	Q751 L752 R753 H757 T758 L759	Q751-Y755 PolarHBondContact O-N 3.22Å; L752-Y755 PolarHBondContact O-N 3.39Å; L752-Y755 VanDerWaalsContact O-N 3.15Å; R753-Y755 VanDerWaalsContact C-N 3.29Å; R753-Y755 PolarHBondContact O-N 3.31Å; Y755-H757 VanDerWaalsContact C-N 3.3Å; Y755-H757 PolarHBondContact O-N 2.68Å; Y755-T758 WeakPolarHBondContact CA-OG1 3.41Å; Y755-T758 PolarHBondContact O-N 3.19Å; Y755-T758 VanDerWaalsContact O-N 3.1Å; Y755-T758 PolarHBondContact O-OG1 2.98Å; Y755-L759 HydrophobicContact CD1-CD1 4.24Å; Y755-L759 PolarHBondContact O-N 2.81Å
756	C	56.8	Low	53.3	Low	46 Å²	46	101.5 Å²	101.5	31%	0.311	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-38.8	171.4	-71.2	0	0	0	0	111.2	L752 R753 T758 L759 C762	L752-C756 PolarHBondContact O-N 3.36Å; L752-C756 PolarHBondContact O-SG 3.25Å; L752-C756 VanDerWaalsContact O-SG 3.39Å; R753-C756 PolarHBondContact O-N 3.27Å; C756-T758 PolarHBondContact O-N 3.11Å; C756-L759 PolarHBondContact O-N 2.88Å; C756-L759 VanDerWaalsContact O-N 3.15Å; C756-C762 HydrophobicContact CB-CB 4.16Å; C756-C762 WeakPolarHBondContact O-CB 3.34Å
757	H	56.6	Low	52.2	Low	129 Å²	129	103.8 Å²	103.8	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-65.6	-23.2	174.5	-81.6	-62.7	0	0	0	113.7	R753 R754 Y755	R753-H757 PolarHBondContact O-CD2 3.31Å; R753-H757 PolarHBondContact O-N 3.24Å; R754-H757 PolarHBondContact O-N 2.9Å; Y755-H757 VanDerWaalsContact C-N 3.3Å; Y755-H757 PolarHBondContact O-N 2.68Å
758	T	57.5	Low	51.2	Low	104 Å²	104	109 Å²	109	64%	0.638	55%	0.549	S	S	*	.	H	α-helix	trans	-83.9	-15.9	173.5	49.3	0	0	0	0	113.8	R754 Y755 C756	R754-T758 PolarHBondContact O-N 3Å; Y755-T758 WeakPolarHBondContact CA-OG1 3.41Å; Y755-T758 PolarHBondContact O-N 3.19Å; Y755-T758 VanDerWaalsContact O-N 3.1Å; Y755-T758 PolarHBondContact O-OG1 2.98Å; C756-T758 PolarHBondContact O-N 3.11Å
759	L	53.2	Low	50.2	Low	81 Å²	81	111.1 Å²	111.1	42%	0.424	57%	0.567	S	S	.	*	S	Bend	trans	-84.8	123.9	175.9	-79.5	159.9	0	0	0	110.2	Y755 C756 S761 C762	Y755-L759 HydrophobicContact CD1-CD1 4.24Å; Y755-L759 PolarHBondContact O-N 2.81Å; C756-L759 PolarHBondContact O-N 2.88Å; C756-L759 VanDerWaalsContact O-N 3.15Å; L759-S761 PolarHBondContact O-N 3.25Å; L759-S761 VanDerWaalsContact O-N 3.16Å; L759-C762 PolarHBondContact O-N 3.31Å
760	P	54.7	Low	49	Very low	96 Å²	96	116.8 Å²	116.8	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-55.4	-37.7	-178.4	-13.2	16.7	0	0	0	112.5	C762 S763	P760-C762 VanDerWaalsContact C-N 3.32Å; P760-C762 PolarHBondContact O-N 3.35Å; P760-S763 WeakPolarHBondContact O-CB 3.37Å; P760-S763 PolarHBondContact O-N 3.41Å; P760-S763 VanDerWaalsContact O-N 3.1Å; P760-S763 PolarHBondContact O-OG 2.99Å
761	S	52.7	Low	47.7	Very low	92 Å²	92	115.4 Å²	115.4	64%	0.643	59%	0.588	S	S	*	*	H	α-helix	trans	-64.7	-30.7	-176.6	-37.7	0	0	0	0	113.8	L759	L759-S761 PolarHBondContact O-N 3.25Å; L759-S761 VanDerWaalsContact O-N 3.16Å
762	C	45.8	Very low	46.4	Very low	57 Å²	57	117.6 Å²	117.6	39%	0.385	60%	0.599	S	S	.	*	H	α-helix	trans	-83.2	-18.3	176.3	-80.9	0	0	0	0	112.9	C756 L759 P760 L764	C756-C762 HydrophobicContact CB-CB 4.16Å; C756-C762 WeakPolarHBondContact O-CB 3.34Å; L759-C762 PolarHBondContact O-N 3.31Å; P760-C762 VanDerWaalsContact C-N 3.32Å; P760-C762 PolarHBondContact O-N 3.35Å; C762-L764 VanDerWaalsContact C-N 3.31Å
763	S	46.3	Very low	45.2	Very low	47 Å²	47	118.4 Å²	118.4	33%	0.329	61%	0.607	S	S	.	*	H	α-helix	trans	-71.9	-26.7	177.3	75.7	0	0	0	0	112.8	P760 V765 N766	P760-S763 WeakPolarHBondContact O-CB 3.37Å; P760-S763 PolarHBondContact O-N 3.41Å; P760-S763 VanDerWaalsContact O-N 3.1Å; P760-S763 PolarHBondContact O-OG 2.99Å; S763-V765 VanDerWaalsContact C-N 3.28Å; S763-V765 PolarHBondContact O-N 3.22Å; S763-N766 PolarHBondContact O-N 3.49Å
764	L	42.8	Very low	43.7	Very low	127 Å²	127	119.3 Å²	119.3	67%	0.665	62%	0.619	S	S	*	*	H	α-helix	trans	-64.8	-30	-179.4	-78.1	165.1	0	0	0	113	C762 N766	C762-L764 VanDerWaalsContact C-N 3.31Å; L764-N766 PolarHBondContact O-N 2.69Å
765	V	43.7	Very low	42.2	Very low	112 Å²	112	117.6 Å²	117.6	68%	0.679	63%	0.628	S	S	*	*	H	α-helix	trans	-69.5	-22	179.2	-178.2	0	0	0	0	112.3	S763	S763-V765 VanDerWaalsContact C-N 3.28Å; S763-V765 PolarHBondContact O-N 3.22Å
766	N	37.8	Very low	40.7	Very low	83 Å²	83	112.3 Å²	112.3	44%	0.444	62%	0.619	S	S	.	*	H	α-helix	trans	-99.4	-11.3	-177.6	-81.6	-16	0	0	0	114.9	S763 L764	S763-N766 PolarHBondContact O-N 3.49Å; L764-N766 PolarHBondContact O-N 2.69Å
767	N	35.9	Very low	39.1	Very low	119 Å²	119	120.3 Å²	120.3	64%	0.636	64%	0.643	S	S	*	*	H	α-helix	trans	-80.9	-19	-178.9	-84.9	-7	0	0	0	113.5
768	E	34.3	Very low	37.7	Very low	175 Å²	175	122 Å²	122	82%	0.818	65%	0.652	S	S	*	*	S	Bend	trans	-82.4	-16.5	175.9	-69.3	-167.3	158.5	0	0	114.1
769	T	35.8	Very low	36.2	Very low	106 Å²	106	121.6 Å²	121.6	65%	0.65	65%	0.653	S	S	*	*	S	Bend	trans	-105.1	7.3	-178	47.7	0	0	0	0	114.3
770	R	30.5	Very low	34.8	Very low	225 Å²	225	120.6 Å²	120.6	85%	0.849	66%	0.663	S	S	*	*	S	Bend	trans	-88.6	-5.7	177.6	-132.8	174.6	174.9	-179.3	-3.2	114.1
771	S	31.7	Very low	33.4	Very low	86 Å²	86	124.7 Å²	124.7	60%	0.601	68%	0.678	S	S	*	*	S	Bend	trans	-93	112.3	167	64.8	0	0	0	0	110.2
772	Q	28.8	Very low	32.1	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	68%	0.681	S	S	*	*	S	Bend	trans	83.9	123.3	161.6	-50.3	177.1	3.9	0	0	116.6
773	T	29.3	Very low	31.2	Very low	107 Å²	107	128.7 Å²	128.7	66%	0.656	70%	0.701	S	S	*	*			trans	81.6	73.6	167.2	67.2	0	0	0	0	118.3	T775	T773-T775 PolarHBondContact O-N 3.04Å
774	Q	26.6	Very low	30.4	Very low	205 Å²	205	131.2 Å²	131.2	96%	0.958	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	24.5	167.5	-138.3	174.7	6.1	0	0	114.4
775	T	27.5	Very low	29.6	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.5	12.4	-172.4	51	0	0	0	0	116.6	T773	T773-T775 PolarHBondContact O-N 3.04Å
776	A	25.9	Very low	28.9	Very low	54 Å²	54	131.1 Å²	131.1	45%	0.446	73%	0.725	S	S	.	*	S	Bend	trans	-127.6	-9.2	-177.3	0	0	0	0	0	117.6	S779	A776-S779 PolarHBondContact O-OG 3.3Å
777	Y	24.6	Very low	28.5	Very low	213 Å²	213	136.5 Å²	136.5	84%	0.835	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	0.7	-172.7	-90.2	-82.2	0	0	0	116.7	S779	Y777-S779 VanDerWaalsContact C-N 3.26Å; Y777-S779 PolarHBondContact O-N 3.42Å
778	E	26.5	Very low	28.1	Very low	166 Å²	166	139 Å²	139	78%	0.776	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	7	169.3	-77.9	-160.6	171.7	0	0	114.3	R676	R676-E778 IonicContact NH2-OE2 3.44Å
779	S	26.4	Very low	27.9	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	76%	0.759	S	S	*	*	S	Bend	trans	-132.2	67.6	176.9	53.6	0	0	0	0	110.9	A776 Y777	A776-S779 PolarHBondContact O-OG 3.3Å; Y777-S779 VanDerWaalsContact C-N 3.26Å; Y777-S779 PolarHBondContact O-N 3.42Å
780	G	23.7	Very low	27.3	Very low	61 Å²	61	133.7 Å²	133.7	63%	0.629	77%	0.773	S	S	*	*			trans	-153.5	55.9	-178.4	0	0	0	0	0	113
781	L	25.1	Very low	27.3	Very low	181 Å²	181	126.7 Å²	126.7	95%	0.948	77%	0.77	S	S	*	*	S	Bend	trans	-150.9	19	159.2	-107	155.9	0	0	0	112.7
782	S	25.7	Very low	27.2	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	79%	0.786	S	S	*	*			trans	-112.1	98.5	162.4	57.3	0	0	0	0	107.5	S784	S782-S784 PolarHBondContact O-N 3.19Å
783	V	27.1	Very low	27.2	Very low	131 Å²	131	125 Å²	125	79%	0.794	78%	0.783	S	S	*	*			trans	-55.2	108.1	162.7	173.9	0	0	0	0	106.5	L785	V783-L785 HydrophobicContact CG1-CD1 4.2Å; V783-L785 PolarHBondContact O-N 3.11Å
784	S	28.1	Very low	27.2	Very low	101 Å²	101	124 Å²	124	71%	0.706	79%	0.793	S	S	*	*			trans	-72.1	96.7	177	-168.1	0	0	0	0	108.2	S782 A786	S782-S784 PolarHBondContact O-N 3.19Å; S784-A786 PolarHBondContact O-N 3.05Å
785	L	26.3	Very low	27.2	Very low	161 Å²	161	117.9 Å²	117.9	84%	0.843	79%	0.785	S	S	*	*			trans	-83.4	14.3	169.5	-132.9	93.6	0	0	0	112.3	V783	V783-L785 HydrophobicContact CG1-CD1 4.2Å; V783-L785 PolarHBondContact O-N 3.11Å
786	A	28.9	Very low	27.2	Very low	76 Å²	76	117.7 Å²	117.7	63%	0.628	79%	0.789	S	S	*	*			trans	-112.1	62.8	-176.6	0	0	0	0	0	111	S784	S784-A786 PolarHBondContact O-N 3.05Å
787	H	28.9	Very low	27.3	Very low	195 Å²	195	118.7 Å²	118.7	90%	0.903	80%	0.804	S	S	*	*			trans	-105.7	30.9	160.7	-140.9	62.9	0	0	0	111.7
788	L	27.9	Very low	27.5	Very low	172 Å²	172	120.8 Å²	120.8	90%	0.901	81%	0.811	S	S	*	*	S	Bend	trans	-128.8	104.1	171.2	-85.7	153.6	0	0	0	107.9
789	G	29.8	Very low	27.7	Very low	79 Å²	79	122.6 Å²	122.6	81%	0.814	82%	0.816	S	S	*	*			trans	129.6	78.9	169.7	0	0	0	0	0	114
790	G	24.9	Very low	27.7	Very low	91 Å²	91	130.3 Å²	130.3	94%	0.938	83%	0.831	S	S	*	*			trans	-63.2	136.6	165.3	0	0	0	0	0	111.3
791	G	30.3	Very low	28	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	85%	0.846	S	S	*	*			trans	-163.5	103.6	176.2	0	0	0	0	0	110.2
792	V	29.3	Very low	28.3	Very low	154 Å²	154	133.2 Å²	133.2	93%	0.933	84%	0.838	S	S	*	*			trans	-76.5	140.7	-175.7	170.7	0	0	0	0	111.3
793	G	28.6	Very low	28.4	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	85%	0.846	S	S	*	*			trans	117.2	131.2	136.2	0	0	0	0	0	119.2
794	G	28.7	Very low	28.5	Very low	84 Å²	84	142.1 Å²	142.1	87%	0.866	85%	0.849	S	S	*	*			trans	92.9	116	157.2	0	0	0	0	0	114.4
795	G	26.4	Very low	28.5	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	86%	0.858	S	S	*	*			cis	108.7	114.5	27.6	0	0	0	0	0	109.9
796	S	28.1	Very low	28.7	Very low	131 Å²	131	146.7 Å²	146.7	92%	0.916	86%	0.857	S	S	*	*			trans	81.5	110.5	157.3	-161.8	0	0	0	0	120.1
797	G	27.9	Very low	28.6	Very low	74 Å²	74	148.1 Å²	148.1	76%	0.763	86%	0.862	S	S	*	*				86.5	99.9	119.5	0	0	0	0	0	118.3
798	R	29.9	Very low	28.5	Very low	257 Å²	257	148.8 Å²	148.8	97%	0.97	86%	0.859	S	S	*	*			trans	-140	128.7	147	-124.8	172	-179	171.9	-0.5	112.4
799	K	30.8	Very low	28.6	Very low	205 Å²	205	151.5 Å²	151.5	89%	0.891	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-65.8	137.7	-164.5	-68.8	169.7	171.8	175.3	0	112.8	M801	K799-M801 PolarHBondContact O-N 2.92Å
800	R	25.9	Very low	28.6	Very low	256 Å²	256	155.1 Å²	155.1	97%	0.966	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-59.5	116.1	160	-91.3	175.6	164.1	169.6	-5	109.2
801	M	29.1	Very low	28.8	Very low	191 Å²	191	158.5 Å²	158.5	94%	0.941	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-95.3	126.7	162.7	-112.5	177.9	166.6	0	0	108.9	K799	K799-M801 PolarHBondContact O-N 2.92Å
802	S	31	Very low	28.7	Very low	111 Å²	111	163 Å²	163	78%	0.776	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-73.5	126.1	-173.8	156.2	0	0	0	0	111.6	R804	S802-R804 PolarHBondContact O-N 3.02Å
803	H	28.4	Very low	28.6	Very low	190 Å²	190	163.5 Å²	163.5	88%	0.88	87%	0.873	S	S	*	*			trans	-57.5	106.8	167.7	-98.1	-90.4	0	0	0	111.6
804	R	29.4	Very low	28.7	Very low	231 Å²	231	169.3 Å²	169.3	87%	0.872	88%	0.881	S	S	*	*			trans	-168.2	121.8	150.3	-110.9	171.6	-178.8	-173.4	0.1	108.1	S802	S802-R804 PolarHBondContact O-N 3.02Å
805	Q	29.1	Very low	28.6	Very low	191 Å²	191	174.9 Å²	174.9	89%	0.893	88%	0.882	S	S	*	*			trans	103.5	82.6	178.3	-61.7	-179.8	-21.4	0	0	115.3
806	M	30.2	Very low	28.8	Very low	166 Å²	166	181.9 Å²	181.9	82%	0.818	89%	0.889	S	S	*	*			trans	-159.3	71.2	136.6	-120.9	164	159.5	0	0	107.7
807	S	25.7	Very low	28.9	Very low	106 Å²	106	185.8 Å²	185.8	74%	0.741	89%	0.887	S	S	*	*			trans	-76.1	133.5	148.3	-169.8	0	0	0	0	104.6
808	Y	27.9	Very low	28.9	Very low	210 Å²	210	195.2 Å²	195.2	82%	0.824	90%	0.897	S	S	*	*			trans	90.9	69.7	-168.2	-59.9	-79.4	0	0	0	115.8
809	L	29.9	Very low	28.9	Very low	228 Å²	228	189.5 Å²	189.5	100%	1.194	89%	0.89	S	S	*	*				-176.1	0	128.8	-92.8	160.9	0	0	0	107.1

Retrieved 809 of 809 residues in 735.2 ms (Link to these results)

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