A0A3Q0KHM4_SCHMA Loading...

Putative eukaryotic elongation factor 2 kinase (Eef-2 kinase)

AlphaFold DB , UniProt , Accession A0A3Q0KHM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 895 aa.

						>A0A3Q0KHM4_SCHMA|A0A3Q0KHM4
MGSYIDEVTDDNLNISEVTLQSDASMSEQQNALILWQRAFKKVKSIDLDSWSNLPWDKCPVRCALRHRYSAIKKKWVVDEVRIKMESEPFDRGAMRECFRMKKQSQRATDTNDWHHTSNYVAKRYIAPTDKQIYFDDVRLQMEAKLWGEAFNRHNPPKKVDIFQLSVLELSPDSSVGTEKVDFSPAFFHIERFMEGEYRKYNSNSGFVDECLRNTPQTFSHFTFERSGHRLLVVDIQGVGDLYTDPQIHTSDGVGYNDGNLGTRGMALFFHSHRCNPLCKWLGLAQFDLAPSELDEPMQCQQTDQNPPNPAEEEVNQVDLSTYGMFRKSKFRRRTISLNNQMSCKSPSQLYGPTVVRSSESMLMSLLSETRRRCASVSLCDHSKSVGQSSDCVLSFHSVGDGLSFDSYDALKLRETSCLDPPFQLSSRQLSPDLNISGQGQICPQPIQNFSSVVPKQPDSRNRAASGDSGYVGRINLIQPCSDLPVSRSHEIASGFDQNCMNLSGDSTSVDLSVRISQPNVLGMRSLESHSLVDEAFPTGPNYSISNRSIFIPKRQRNISESSDVDAEECHRVTGNLLYQLMHENHKPSCADHPTNLDQEIGHSILGQIHHELARLHEAGRFIPNKGHWSHVGLGGEGIFNKDSCEVSEFEESHNEANNDPVTLIDWSAVLFHERHAAQLGCLEAMIVMAHYYLGLPTQLLLECPIKPDPSDIRIGIDHLWRAAEGGDRRCMILLARYLDLSVNFLNPEHQFNFTTTSRDILMLPALQSFLNNDSHSLLSSISPDSWSEAVVWYKRAVDSAMGSSTSGDGCTDEGLDAEGHYDAAEDLLPVYRILARMAEMYSVGGFGLKQNFSLAGDLFTQAAEIASSALQGRLAARYFELADEAYLSNEQITN
					

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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	37.7	Very low	37.5	Very low	256 Å²	256	148.3 Å²	148.3	100%	1.261	81%	0.806	S	S	*	*				0	117.1	0	-69.9	-177.9	-177.8	0	0	107.2
2	G	36.3	Very low	37.6	Very low	63 Å²	63	147.1 Å²	147.1	65%	0.649	80%	0.799	S	S	*	*			cis	-162.6	131.4	-10.5	0	0	0	0	0	104.6
3	S	36.2	Very low	37.8	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	80%	0.799	S	S	*	*				71.8	136.6	121.9	67.7	0	0	0	0	116.7
4	Y	37.6	Very low	37.8	Very low	200 Å²	200	143.9 Å²	143.9	78%	0.784	78%	0.779	S	S	*	*			cis	-175.3	145	13.8	-126.3	-133.7	0	0	0	106
5	I	40.3	Very low	38.1	Very low	124 Å²	124	143.3 Å²	143.3	64%	0.636	77%	0.773	S	S	*	*			trans	65.3	133.6	134.4	-66.9	-167.2	0	0	0	117.7
6	D	38.1	Very low	38.4	Very low	142 Å²	142	138.8 Å²	138.8	76%	0.759	76%	0.755	S	S	*	*			cis	-162.6	159.4	12.2	-103.7	-9.4	0	0	0	109.9
7	E	36.1	Very low	38.6	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	75%	0.745	S	S	*	*			trans	-64	137.9	172.5	-63.5	170.8	139.8	0	0	113.8
8	V	40.4	Very low	38.8	Very low	142 Å²	142	136.1 Å²	136.1	86%	0.861	74%	0.739	S	S	*	*			trans	-143.5	123.6	137.9	-177.9	0	0	0	0	108.7
9	T	35.5	Very low	38.9	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	72%	0.721	S	S	*	*			trans	-59.2	135.4	173.1	48.1	0	0	0	0	113.2
10	D	36.6	Very low	39.2	Very low	139 Å²	139	131.7 Å²	131.7	74%	0.743	72%	0.716	S	S	*	*			trans	-139.5	97	156.6	-153.3	9.5	0	0	0	109.8	N12	D10-N12 PolarHBondContact O-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 2.81Å
11	D	37.4	Very low	39.4	Very low	150 Å²	150	132.6 Å²	132.6	80%	0.802	72%	0.716	S	S	*	*			trans	-72.6	97.6	166.9	-83.7	-38.1	0	0	0	108.5
12	N	38.8	Very low	39.7	Very low	134 Å²	134	123 Å²	123	72%	0.717	67%	0.674	S	S	*	*			trans	-135.3	78.2	163.2	-85.4	-51.9	0	0	0	109.6	D10	D10-N12 PolarHBondContact O-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 2.81Å
13	L	40.7	Very low	40.4	Very low	154 Å²	154	124.8 Å²	124.8	81%	0.806	67%	0.669	S	S	*	*			trans	-62.3	133.1	166.5	-87.7	157.8	0	0	0	110.1	I15	L13-I15 VanDerWaalsContact C-N 3.34Å; L13-I15 PolarHBondContact O-N 3.05Å
14	N	38.3	Very low	41.4	Very low	96 Å²	96	122.3 Å²	122.3	51%	0.513	65%	0.654	S	S	.	*			trans	-64.9	77.6	-170.9	-147.1	14.1	0	0	0	112.5	S16 E17	N14-S16 VanDerWaalsContact C-N 3.25Å; N14-S16 PolarHBondContact O-N 3.4Å; N14-S16 PolarHBondContact OD1-OG 3.2Å; N14-S16 VanDerWaalsContact OD1-OG 3.12Å; N14-E17 PolarHBondContact ND2-OE2 3.42Å
15	I	42.4	Very low	42.5	Very low	134 Å²	134	115.3 Å²	115.3	69%	0.687	64%	0.635	S	S	*	*	H	α-helix	trans	-72.7	-17.1	176.8	-70.3	167.7	0	0	0	111.8	L13 T19	L13-I15 VanDerWaalsContact C-N 3.34Å; L13-I15 PolarHBondContact O-N 3.05Å; I15-T19 PolarHBondContact O-OG1 2.81Å
16	S	41.8	Very low	43.4	Very low	71 Å²	71	114.1 Å²	114.1	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-73.7	-31.7	-179.1	50.6	0	0	0	0	113.9	N14 L20	N14-S16 VanDerWaalsContact C-N 3.25Å; N14-S16 PolarHBondContact O-N 3.4Å; N14-S16 PolarHBondContact OD1-OG 3.2Å; N14-S16 VanDerWaalsContact OD1-OG 3.12Å; S16-L20 WeakPolarHBondContact O-CD1 3.36Å; S16-L20 WeakPolarHBondContact O-CG 3.48Å; S16-L20 PolarHBondContact O-N 3.33Å
17	E	41.9	Very low	45	Very low	124 Å²	124	110 Å²	110	58%	0.579	61%	0.61	S	S	*	*	H	α-helix	trans	-79.9	-33.3	-174.7	-131	171.3	-174.9	0	0	113	N14 Q21	N14-E17 PolarHBondContact ND2-OE2 3.42Å; E17-Q21 PolarHBondContact O-N 3.01Å
18	V	42.7	Very low	46.7	Very low	105 Å²	105	108 Å²	108	64%	0.636	60%	0.601	S	S	*	*	H	α-helix	trans	-72.6	-32.4	174.6	-178.2	0	0	0	0	111.2	S22	V18-S22 PolarHBondContact O-N 3.48Å; V18-S22 PolarHBondContact O-OG 3.31Å
19	T	41.4	Very low	48.2	Very low	66 Å²	66	106.8 Å²	106.8	41%	0.405	59%	0.586	S	S	.	*	H	α-helix	trans	-72.7	-35.7	178	-46.1	0	0	0	0	111.9	I15 S22 D23	I15-T19 PolarHBondContact O-OG1 2.81Å; T19-S22 WeakPolarHBondContact CA-OG 3.36Å; T19-S22 PolarHBondContact O-N 3.48Å; T19-S22 PolarHBondContact O-OG 3.31Å; T19-D23 PolarHBondContact O-N 3.21Å
20	L	44	Very low	50.2	Low	119 Å²	119	106.8 Å²	106.8	62%	0.623	58%	0.577	S	S	*	*	H	α-helix	trans	-67.8	-34.3	176.7	-77	165.1	0	0	0	113	S16 A24	S16-L20 WeakPolarHBondContact O-CD1 3.36Å; S16-L20 WeakPolarHBondContact O-CG 3.48Å; S16-L20 PolarHBondContact O-N 3.33Å; L20-A24 PolarHBondContact O-N 3.14Å
21	Q	44.1	Very low	52.3	Low	150 Å²	150	104.2 Å²	104.2	70%	0.701	56%	0.563	S	S	*	*	H	α-helix	trans	-71.6	-35.8	174.5	-75.3	-176.1	-8.4	0	0	112.4	E17 S25	E17-Q21 PolarHBondContact O-N 3.01Å; Q21-S25 PolarHBondContact O-N 2.8Å
22	S	43.7	Very low	54.1	Low	55 Å²	55	99.8 Å²	99.8	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-67.8	-40.6	175	55.5	0	0	0	0	112.6	V18 T19 S25 M26	V18-S22 PolarHBondContact O-N 3.48Å; V18-S22 PolarHBondContact O-OG 3.31Å; T19-S22 WeakPolarHBondContact CA-OG 3.36Å; T19-S22 PolarHBondContact O-N 3.48Å; T19-S22 PolarHBondContact O-OG 3.31Å; S22-S25 PolarHBondContact O-N 3.41Å; S22-S25 PolarHBondContact O-OG 3.16Å; S22-M26 WeakPolarHBondContact O-CG 3.34Å; S22-M26 PolarHBondContact O-N 3.43Å
23	D	50.5	Low	56.1	Low	101 Å²	101	98.2 Å²	98.2	54%	0.54	54%	0.538	S	S	.	.	H	α-helix	trans	-67.4	-36.9	179.4	-77.9	-13.8	0	0	0	112.1	T19 M26 S27	T19-D23 PolarHBondContact O-N 3.21Å; D23-M26 PolarHBondContact O-N 2.99Å; D23-S27 VanDerWaalsContact O-CB 3.29Å; D23-S27 WeakPolarHBondContact O-CB 3.44Å; D23-S27 PolarHBondContact O-N 3.46Å
24	A	56.8	Low	58.2	Low	53 Å²	53	94.4 Å²	94.4	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.3	0	0	0	0	0	112.3	L20 M26 S27 E28	L20-A24 PolarHBondContact O-N 3.14Å; A24-M26 PolarHBondContact O-N 3.09Å; A24-S27 WeakPolarHBondContact O-CB 3.37Å; A24-S27 PolarHBondContact O-N 3.3Å; A24-E28 PolarHBondContact O-N 2.97Å
25	S	60.3	Low	60.3	Low	53 Å²	53	95.1 Å²	95.1	37%	0.371	52%	0.521	S	S	.	.	H	α-helix	trans	-68.1	-35.1	178.2	91.7	0	0	0	0	112.6	Q21 S22 E28 Q29	Q21-S25 PolarHBondContact O-N 2.8Å; S22-S25 PolarHBondContact O-N 3.41Å; S22-S25 PolarHBondContact O-OG 3.16Å; S25-E28 PolarHBondContact O-N 3.43Å; S25-Q29 VanDerWaalsContact O-CG 3.31Å; S25-Q29 WeakPolarHBondContact O-CG 3.25Å; S25-Q29 PolarHBondContact O-N 3.33Å
26	M	59.4	Low	62	Low	99 Å²	99	96.9 Å²	96.9	49%	0.488	52%	0.519	S	S	.	.	H	α-helix	trans	-68.9	-40	177.7	-75.7	-60.5	-60.4	0	0	111.2	S22 D23 A24 Q29 Q30	S22-M26 WeakPolarHBondContact O-CG 3.34Å; S22-M26 PolarHBondContact O-N 3.43Å; D23-M26 PolarHBondContact O-N 2.99Å; A24-M26 PolarHBondContact O-N 3.09Å; M26-Q29 PolarHBondContact O-N 3.39Å; M26-Q30 PolarHBondContact O-N 3.36Å
27	S	72.1	Confident	63.8	Low	55 Å²	55	98.4 Å²	98.4	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-59.5	-46.8	172.2	153	0	0	0	0	112.3	D23 A24 Q29 Q30 N31	D23-S27 VanDerWaalsContact O-CB 3.29Å; D23-S27 WeakPolarHBondContact O-CB 3.44Å; D23-S27 PolarHBondContact O-N 3.46Å; A24-S27 WeakPolarHBondContact O-CB 3.37Å; A24-S27 PolarHBondContact O-N 3.3Å; S27-Q29 PolarHBondContact O-N 2.97Å; S27-Q30 PolarHBondContact O-N 2.94Å; S27-N31 WeakPolarHBondContact O-CB 3.45Å; S27-N31 PolarHBondContact O-N 2.92Å; S27-N31 PolarHBondContact O-ND2 3.39Å
28	E	72.4	Confident	65.6	Low	143 Å²	143	100 Å²	100	67%	0.668	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-42	176.9	-77.2	-174.6	170.8	0	0	112.1	A24 S25 N31 A32	A24-E28 PolarHBondContact O-N 2.97Å; S25-E28 PolarHBondContact O-N 3.43Å; E28-N31 PolarHBondContact O-N 3.23Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.34Å
29	Q	72.3	Confident	67.2	Low	116 Å²	116	97.4 Å²	97.4	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.4	-74	178.2	2.7	0	0	112.3	S25 M26 S27 A32 L33	S25-Q29 VanDerWaalsContact O-CG 3.31Å; S25-Q29 WeakPolarHBondContact O-CG 3.25Å; S25-Q29 PolarHBondContact O-N 3.33Å; M26-Q29 PolarHBondContact O-N 3.39Å; S27-Q29 PolarHBondContact O-N 2.97Å; Q29-A32 PolarHBondContact O-N 3.47Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 2.92Å
30	Q	75.7	Confident	68.8	Low	125 Å²	125	99.4 Å²	99.4	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-43.4	174.8	-92.8	177.7	-23.5	0	0	112.1	M26 S27 A32 L33 I34	M26-Q30 PolarHBondContact O-N 3.36Å; S27-Q30 PolarHBondContact O-N 2.94Å; Q30-A32 VanDerWaalsContact C-N 3.35Å; Q30-A32 PolarHBondContact O-N 2.87Å; Q30-L33 WeakPolarHBondContact O-CB 3.46Å; Q30-L33 PolarHBondContact O-N 2.78Å; Q30-I34 WeakPolarHBondContact O-CG1 3.41Å; Q30-I34 PolarHBondContact O-N 3.31Å
31	N	81	Confident	70.3	Confident	86 Å²	86	101.1 Å²	101.1	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-42.1	176.2	-77.1	-34	0	0	0	111.7	S27 E28 L33 I34 L35	S27-N31 WeakPolarHBondContact O-CB 3.45Å; S27-N31 PolarHBondContact O-N 2.92Å; S27-N31 PolarHBondContact O-ND2 3.39Å; E28-N31 PolarHBondContact O-N 3.23Å; N31-L33 VanDerWaalsContact C-N 3.35Å; N31-L33 PolarHBondContact O-N 2.84Å; N31-I34 PolarHBondContact O-N 2.9Å; N31-L35 WeakPolarHBondContact O-CB 3.46Å; N31-L35 VanDerWaalsContact O-CG 3.3Å; N31-L35 WeakPolarHBondContact O-CG 3.46Å; N31-L35 PolarHBondContact O-N 3.16Å
32	A	76	Confident	71.6	Confident	57 Å²	57	101 Å²	101	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-60.9	-42.8	174.2	0	0	0	0	0	111.9	E28 Q29 Q30 L35 W36	E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.34Å; Q29-A32 PolarHBondContact O-N 3.47Å; Q30-A32 VanDerWaalsContact C-N 3.35Å; Q30-A32 PolarHBondContact O-N 2.87Å; A32-L35 PolarHBondContact O-N 3.31Å; A32-W36 WeakPolarHBondContact O-CB 3.3Å; A32-W36 PolarHBondContact O-N 2.96Å
33	L	80.7	Confident	72.7	Confident	100 Å²	100	101.8 Å²	101.8	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175	-106.9	158.4	0	0	0	112.4	Q29 Q30 N31 W36 Q37	Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 2.92Å; Q30-L33 WeakPolarHBondContact O-CB 3.46Å; Q30-L33 PolarHBondContact O-N 2.78Å; N31-L33 VanDerWaalsContact C-N 3.35Å; N31-L33 PolarHBondContact O-N 2.84Å; L33-W36 PolarHBondContact O-N 3.39Å; L33-Q37 WeakPolarHBondContact O-CB 3.31Å; L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.37Å; L33-Q37 PolarHBondContact O-N 3.19Å
34	I	84.3	Confident	73.4	Confident	74 Å²	74	104.9 Å²	104.9	38%	0.379	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-42.9	178.1	-68.1	166.9	0	0	0	110.8	Q30 N31 W36 Q37 R38	Q30-I34 WeakPolarHBondContact O-CG1 3.41Å; Q30-I34 PolarHBondContact O-N 3.31Å; N31-I34 PolarHBondContact O-N 2.9Å; I34-W36 VanDerWaalsContact C-N 3.34Å; I34-Q37 PolarHBondContact O-N 3.33Å; I34-R38 WeakPolarHBondContact O-CB 3.49Å; I34-R38 WeakPolarHBondContact O-CG 3.17Å; I34-R38 PolarHBondContact O-N 3.3Å
35	L	82.5	Confident	73.5	Confident	111 Å²	111	106.9 Å²	106.9	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-43	175.4	-74.3	169.8	0	0	0	111.3	N31 A32 R38 A39	N31-L35 WeakPolarHBondContact O-CB 3.46Å; N31-L35 VanDerWaalsContact O-CG 3.3Å; N31-L35 WeakPolarHBondContact O-CG 3.46Å; N31-L35 PolarHBondContact O-N 3.16Å; A32-L35 PolarHBondContact O-N 3.31Å; L35-R38 PolarHBondContact O-N 3.49Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.81Å
36	W	77.3	Confident	73.6	Confident	171 Å²	171	109.2 Å²	109.2	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-64.1	-43.6	176.7	-165.5	88.9	0	0	0	111.8	A32 L33 I34 R38 A39 F40	A32-W36 WeakPolarHBondContact O-CB 3.3Å; A32-W36 PolarHBondContact O-N 2.96Å; L33-W36 PolarHBondContact O-N 3.39Å; I34-W36 VanDerWaalsContact C-N 3.34Å; W36-R38 PolarHBondContact O-N 2.68Å; W36-A39 PolarHBondContact O-N 2.84Å; W36-F40 HydrophobicContact CE3-CB 4.39Å; W36-F40 HydrophobicContact CH2-CD2 4.13Å; W36-F40 HydrophobicContact CH2-CG 4.49Å; W36-F40 HydrophobicContact CZ3-CB 4.29Å; W36-F40 HydrophobicContact CZ3-CD2 4.43Å; W36-F40 HydrophobicContact CZ3-CG 4.34Å; W36-F40 VanDerWaalsContact O-CB 3.29Å; W36-F40 WeakPolarHBondContact O-CB 3.23Å; W36-F40 PolarHBondContact O-N 2.9Å
37	Q	80.4	Confident	73.6	Confident	104 Å²	104	110.3 Å²	110.3	49%	0.486	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-40.4	174.8	-74.2	177.2	0.8	0	0	112.6	L33 I34 K41	L33-Q37 WeakPolarHBondContact O-CB 3.31Å; L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.37Å; L33-Q37 PolarHBondContact O-N 3.19Å; I34-Q37 PolarHBondContact O-N 3.33Å; Q37-K41 WeakPolarHBondContact O-CB 3.29Å; Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 3.16Å
38	R	80.5	Confident	73.2	Confident	157 Å²	157	112 Å²	112	59%	0.592	55%	0.553	S	S	*	*	H	α-helix	trans	-66.1	-43.3	175.2	-75	177.1	-179.9	174.2	0.9	111.6	I34 L35 W36 K41 K42	I34-R38 WeakPolarHBondContact O-CB 3.49Å; I34-R38 WeakPolarHBondContact O-CG 3.17Å; I34-R38 PolarHBondContact O-N 3.3Å; L35-R38 PolarHBondContact O-N 3.49Å; W36-R38 PolarHBondContact O-N 2.68Å; R38-K41 PolarHBondContact O-N 3.21Å; R38-K42 PolarHBondContact O-N 3.04Å
39	A	75.2	Confident	73.3	Confident	51 Å²	51	106.1 Å²	106.1	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-61.5	-48.6	175.2	0	0	0	0	0	110.7	L35 W36 K41 K42 V43	L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 2.81Å; W36-A39 PolarHBondContact O-N 2.84Å; A39-K41 PolarHBondContact O-N 3.11Å; A39-K42 PolarHBondContact O-N 2.84Å; A39-K42 VanDerWaalsContact O-N 3.13Å; A39-V43 WeakPolarHBondContact O-CB 3.49Å; A39-V43 VanDerWaalsContact O-CG2 3.24Å; A39-V43 WeakPolarHBondContact O-CG2 3.45Å; A39-V43 PolarHBondContact O-N 3.12Å
40	F	75.8	Confident	73.5	Confident	108 Å²	108	104.3 Å²	104.3	47%	0.474	53%	0.526	S	S	.	.	H	α-helix	trans	-58.4	-43.4	176.9	-176.5	-99.4	0	0	0	112.5	W36 V43 K44	W36-F40 HydrophobicContact CE3-CB 4.39Å; W36-F40 HydrophobicContact CH2-CD2 4.13Å; W36-F40 HydrophobicContact CH2-CG 4.49Å; W36-F40 HydrophobicContact CZ3-CB 4.29Å; W36-F40 HydrophobicContact CZ3-CD2 4.43Å; W36-F40 HydrophobicContact CZ3-CG 4.34Å; W36-F40 VanDerWaalsContact O-CB 3.29Å; W36-F40 WeakPolarHBondContact O-CB 3.23Å; W36-F40 PolarHBondContact O-N 2.9Å; F40-V43 PolarHBondContact O-N 3.19Å; F40-K44 HydrophobicContact CE1-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CB 3.31Å; F40-K44 PolarHBondContact O-N 3.44Å
41	K	75.8	Confident	73.8	Confident	155 Å²	155	99.1 Å²	99.1	67%	0.674	50%	0.501	S	S	*	.	H	α-helix	trans	-62.1	-42.5	174.7	-78.7	-178.2	179.8	-178.7	0	112.4	Q37 R38 A39 K44 S45	Q37-K41 WeakPolarHBondContact O-CB 3.29Å; Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 3.16Å; R38-K41 PolarHBondContact O-N 3.21Å; A39-K41 PolarHBondContact O-N 3.11Å; K41-K44 PolarHBondContact O-N 2.97Å; K41-S45 PolarHBondContact O-N 3.42Å; K41-S45 PolarHBondContact O-OG 2.64Å
42	K	71.1	Confident	73.5	Confident	147 Å²	147	96.2 Å²	96.2	64%	0.639	49%	0.487	S	S	*	.	H	α-helix	trans	-63.8	-46.6	175.6	-79.1	-172.5	174.8	-171.6	0	111.8	R38 A39 K44 S45 I46	R38-K42 PolarHBondContact O-N 3.04Å; A39-K42 PolarHBondContact O-N 2.84Å; A39-K42 VanDerWaalsContact O-N 3.13Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 2.63Å; K42-S45 WeakPolarHBondContact CA-OG 3.39Å; K42-S45 PolarHBondContact O-N 3.34Å; K42-S45 VanDerWaalsContact O-N 3.11Å; K42-S45 PolarHBondContact O-OG 3.24Å; K42-I46 WeakPolarHBondContact O-CG1 3.01Å; K42-I46 PolarHBondContact O-N 3.11Å
43	V	67	Low	73.6	Confident	71 Å²	71	100.8 Å²	100.8	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-42.1	178.1	170.1	0	0	0	0	110.6	A39 F40 S45 I46 L48	A39-V43 WeakPolarHBondContact O-CB 3.49Å; A39-V43 VanDerWaalsContact O-CG2 3.24Å; A39-V43 WeakPolarHBondContact O-CG2 3.45Å; A39-V43 PolarHBondContact O-N 3.12Å; F40-V43 PolarHBondContact O-N 3.19Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3Å; V43-I46 PolarHBondContact O-N 3.15Å; V43-L48 HydrophobicContact CG1-CD1 3.54Å; V43-L48 HydrophobicContact CG1-CD2 4.38Å
44	K	64.2	Low	73.7	Confident	167 Å²	167	98.4 Å²	98.4	73%	0.726	49%	0.492	S	S	*	.	H	α-helix	trans	-68.5	-23.8	177.2	-163.4	177.3	-178.6	-178.4	0	113.9	F40 K41 K42	F40-K44 HydrophobicContact CE1-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CB 3.31Å; F40-K44 PolarHBondContact O-N 3.44Å; K41-K44 PolarHBondContact O-N 2.97Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 2.63Å
45	S	59.5	Low	73.6	Confident	95 Å²	95	98.2 Å²	98.2	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-88.8	-13.5	-179.7	62.1	0	0	0	0	114.6	K41 K42 V43	K41-S45 PolarHBondContact O-N 3.42Å; K41-S45 PolarHBondContact O-OG 2.64Å; K42-S45 WeakPolarHBondContact CA-OG 3.39Å; K42-S45 PolarHBondContact O-N 3.34Å; K42-S45 VanDerWaalsContact O-N 3.11Å; K42-S45 PolarHBondContact O-OG 3.24Å; V43-S45 VanDerWaalsContact C-N 3.28Å; V43-S45 PolarHBondContact O-N 3Å
46	I	62.5	Low	73.6	Confident	102 Å²	102	93.2 Å²	93.2	52%	0.523	47%	0.468	S	S	.	.	S	Bend	trans	-97.3	129.6	178.5	-65.2	166.1	0	0	0	106.6	K42 V43 L48	K42-I46 WeakPolarHBondContact O-CG1 3.01Å; K42-I46 PolarHBondContact O-N 3.11Å; V43-I46 PolarHBondContact O-N 3.15Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CB-CD2 4.45Å; I46-L48 HydrophobicContact CG2-CD2 4.25Å; I46-L48 PolarHBondContact O-N 2.69Å
47	D	58.6	Low	73.7	Confident	122 Å²	122	91.4 Å²	91.4	65%	0.652	47%	0.472	S	S	*	.			trans	-69.3	98.2	165.6	-164.7	11.5	0	0	0	106.6	D49 S52	D47-D49 PolarHBondContact O-N 3.24Å; D47-S52 PolarHBondContact OD2-OG 3.45Å
48	L	63.9	Low	73.8	Confident	89 Å²	89	94.8 Å²	94.8	47%	0.466	49%	0.485	S	S	.	.			trans	-74	-11.4	-170.8	-67.6	157.9	0	0	0	112.4	V43 I46 S50	V43-L48 HydrophobicContact CG1-CD1 3.54Å; V43-L48 HydrophobicContact CG1-CD2 4.38Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CB-CD2 4.45Å; I46-L48 HydrophobicContact CG2-CD2 4.25Å; I46-L48 PolarHBondContact O-N 2.69Å; L48-S50 PolarHBondContact O-N 3.07Å
49	D	75.1	Confident	74	Confident	21 Å²	21	88.4 Å²	88.4	11%	0.112	46%	0.464	C	S	.	.			trans	-86.8	92.5	177.4	-177.4	4.4	0	0	0	109.9	D47 W51 S52 K102 N119	D47-D49 PolarHBondContact O-N 3.24Å; D49-W51 PolarHBondContact O-N 3.25Å; D49-W51 VanDerWaalsContact OD1-CA 3.3Å; D49-W51 WeakPolarHBondContact OD1-CA 3.45Å; D49-W51 WeakPolarHBondContact OD1-CB 3.28Å; D49-W51 PolarHBondContact OD1-N 3.03Å; D49-S52 VanDerWaalsContact O-CB 3.31Å; D49-S52 WeakPolarHBondContact O-CB 3.43Å; D49-S52 PolarHBondContact O-N 3.16Å; D49-S52 PolarHBondContact O-OG 3.47Å; D49-S52 PolarHBondContact OD1-N 3.25Å; D49-K102 IonicContact OD2-NZ 2.87Å; D49-K102 PolarHBondContact OD2-NZ 2.76Å; D49-N119 PolarHBondContact OD1-ND2 2.92Å
50	S	75.7	Confident	74.6	Confident	77 Å²	77	89.7 Å²	89.7	54%	0.538	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-16	171.8	-76.8	0	0	0	0	114.1	L48 E195	L48-S50 PolarHBondContact O-N 3.07Å; S50-E195 VanDerWaalsContact CB-OE1 3.3Å; S50-E195 WeakPolarHBondContact CB-OE1 3.35Å; S50-E195 PolarHBondContact OG-OE1 3.01Å
51	W	82	Confident	75.2	Confident	17 Å²	17	88 Å²	88	6%	0.064	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	13.1	-179.8	-61.3	-7.9	0	0	0	113	D49 N53 L54 W56 R100 N119 Y120 V121 F193	D49-W51 PolarHBondContact O-N 3.25Å; D49-W51 VanDerWaalsContact OD1-CA 3.3Å; D49-W51 WeakPolarHBondContact OD1-CA 3.45Å; D49-W51 WeakPolarHBondContact OD1-CB 3.28Å; D49-W51 PolarHBondContact OD1-N 3.03Å; W51-N53 PolarHBondContact O-N 3.39Å; W51-L54 HydrophobicContact CB-CD1 3.81Å; W51-L54 HydrophobicContact CB-CG 4.32Å; W51-L54 HydrophobicContact CD2-CD1 4.5Å; W51-L54 HydrophobicContact CG-CD1 3.91Å; W51-L54 PolarHBondContact O-N 3.2Å; W51-L54 VanDerWaalsContact O-N 3.16Å; W51-W56 HydrophobicContact CB-CZ2 4.14Å; W51-W56 HydrophobicContact CE3-CH2 4.3Å; W51-W56 AromaticContact CE3-CZ2 3.94Å; W51-W56 HydrophobicContact CE3-CZ2 3.94Å; W51-W56 PolarHBondContact O-NE1 3.45Å; W51-R100 HydrophobicContact CD2-CG 4.45Å; W51-R100 HydrophobicContact CE3-CB 4.12Å; W51-R100 HydrophobicContact CE3-CG 4.43Å; W51-R100 HydrophobicContact CH2-CB 3.87Å; W51-R100 HydrophobicContact CH2-CG 3.79Å; W51-R100 HydrophobicContact CZ2-CB 4.34Å; W51-R100 HydrophobicContact CZ2-CG 3.78Å; W51-R100 HydrophobicContact CZ3-CB 3.75Å; W51-R100 HydrophobicContact CZ3-CG 4.12Å; W51-N119 HydrophobicContact CD2-CB 4.27Å; W51-N119 HydrophobicContact CE3-CB 3.57Å; W51-N119 HydrophobicContact CH2-CB 4.43Å; W51-N119 HydrophobicContact CZ3-CB 3.67Å; W51-Y120 WeakPolarHBondContact CH2-O 3.44Å; W51-Y120 VanDerWaalsContact CZ3-O 3.26Å; W51-Y120 WeakPolarHBondContact CZ3-O 3.41Å; W51-V121 HydrophobicContact CH2-CG2 4.17Å; W51-F193 HydrophobicContact CH2-CB 3.95Å; W51-F193 AromaticContact CH2-CD2 3.72Å; W51-F193 HydrophobicContact CH2-CD2 3.72Å; W51-F193 HydrophobicContact CH2-CE2 4.43Å; W51-F193 AromaticContact CH2-CG 3.86Å; W51-F193 HydrophobicContact CH2-CG 3.86Å; W51-F193 HydrophobicContact CZ2-CB 4.23Å; W51-F193 HydrophobicContact CZ2-CD1 4.17Å; W51-F193 AromaticContact CZ2-CD2 3.28Å; W51-F193 HydrophobicContact CZ2-CD2 3.28Å; W51-F193 HydrophobicContact CZ2-CE1 4.39Å; W51-F193 AromaticContact CZ2-CE2 3.56Å; W51-F193 HydrophobicContact CZ2-CE2 3.56Å; W51-F193 AromaticContact CZ2-CG 3.62Å; W51-F193 HydrophobicContact CZ2-CG 3.62Å; W51-F193 HydrophobicContact CZ2-CZ 4.11Å; W51-F193 HydrophobicContact CZ3-CB 4.44Å
52	S	75.8	Confident	75.9	Confident	24 Å²	24	84.6 Å²	84.6	17%	0.168	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.6	-178.4	64.1	0	0	0	0	112.9	D47 D49 L54	D47-S52 PolarHBondContact OD2-OG 3.45Å; D49-S52 VanDerWaalsContact O-CB 3.31Å; D49-S52 WeakPolarHBondContact O-CB 3.43Å; D49-S52 PolarHBondContact O-N 3.16Å; D49-S52 PolarHBondContact O-OG 3.47Å; D49-S52 PolarHBondContact OD1-N 3.25Å; S52-L54 VanDerWaalsContact C-N 3.35Å
53	N	78	Confident	76.8	Confident	153 Å²	153	81 Å²	81	82%	0.818	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.8	-178.8	-64.7	-39.7	0	0	0	114.5	W51	W51-N53 PolarHBondContact O-N 3.39Å
54	L	82	Confident	78	Confident	51 Å²	51	77.9 Å²	77.9	27%	0.267	42%	0.423	S	S	.	.	S	Bend	trans	-75.5	144.3	179.2	-64.3	180	0	0	0	110.7	W51 S52 W56	W51-L54 HydrophobicContact CB-CD1 3.81Å; W51-L54 HydrophobicContact CB-CG 4.32Å; W51-L54 HydrophobicContact CD2-CD1 4.5Å; W51-L54 HydrophobicContact CG-CD1 3.91Å; W51-L54 PolarHBondContact O-N 3.2Å; W51-L54 VanDerWaalsContact O-N 3.16Å; S52-L54 VanDerWaalsContact C-N 3.35Å; L54-W56 HydrophobicContact CB-CZ2 4.34Å; L54-W56 HydrophobicContact CD1-CZ2 4.04Å; L54-W56 PolarHBondContact O-N 3.01Å
55	P	82.9	Confident	79.5	Confident	70 Å²	70	73 Å²	73	46%	0.455	41%	0.405	S	S	.	.			trans	-77.9	64.2	-172.9	33.5	-37.1	0	0	0	112.3	D57 K58	P55-D57 PolarHBondContact O-N 3.02Å; P55-D57 VanDerWaalsContact O-N 3.08Å; P55-K58 HydrophobicContact CB-CD 4.16Å; P55-K58 HydrophobicContact CB-CG 4.39Å; P55-K58 PolarHBondContact O-N 3.02Å
56	W	82.9	Confident	81.2	Confident	5 Å²	5	69 Å²	69	2%	0.019	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-59.4	-20.9	-179.4	-65.2	108.3	0	0	0	113.4	W51 L54 K58 C59 K84 R100 K102	W51-W56 HydrophobicContact CB-CZ2 4.14Å; W51-W56 HydrophobicContact CE3-CH2 4.3Å; W51-W56 AromaticContact CE3-CZ2 3.94Å; W51-W56 HydrophobicContact CE3-CZ2 3.94Å; W51-W56 PolarHBondContact O-NE1 3.45Å; L54-W56 HydrophobicContact CB-CZ2 4.34Å; L54-W56 HydrophobicContact CD1-CZ2 4.04Å; L54-W56 PolarHBondContact O-N 3.01Å; W56-K58 PolarHBondContact O-N 3.3Å; W56-C59 PolarHBondContact O-N 3.45Å; W56-K84 HydrophobicContact CB-CD 4.45Å; W56-K84 HydrophobicContact CE3-CB 4.21Å; W56-K84 WeakPolarHBondContact O-CD 3.42Å; W56-K84 WeakPolarHBondContact O-CE 3.15Å; W56-K84 PolarHBondContact O-NZ 2.8Å; W56-R100 HydrophobicContact CH2-CB 3.99Å; W56-K102 HydrophobicContact CD2-CD 3.68Å; W56-K102 HydrophobicContact CD2-CG 4.11Å; W56-K102 VanDerWaalsContact CE2-CD 3.5Å; W56-K102 HydrophobicContact CE3-CD 4.26Å; W56-K102 HydrophobicContact CE3-CG 4.25Å; W56-K102 HydrophobicContact CG-CD 3.97Å; W56-K102 HydrophobicContact CH2-CD 4.49Å; W56-K102 HydrophobicContact CH2-CG 3.95Å; W56-K102 HydrophobicContact CZ2-CD 3.94Å; W56-K102 HydrophobicContact CZ2-CG 3.8Å; W56-K102 HydrophobicContact CZ3-CB 4.47Å; W56-K102 HydrophobicContact CZ3-CG 4.18Å; W56-K102 VanDerWaalsContact NE1-CE 3.28Å
57	D	79.4	Confident	82.8	Confident	133 Å²	133	65.1 Å²	65.1	71%	0.711	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.3	175	-62.9	-36.4	0	0	0	113.3	P55	P55-D57 PolarHBondContact O-N 3.02Å; P55-D57 VanDerWaalsContact O-N 3.08Å
58	K	81.8	Confident	84.5	Confident	176 Å²	176	60.9 Å²	60.9	77%	0.765	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-82.9	-19.9	178.1	-62.2	-178.1	-178.9	177.8	0	113.2	P55 W56	P55-K58 HydrophobicContact CB-CD 4.16Å; P55-K58 HydrophobicContact CB-CG 4.39Å; P55-K58 PolarHBondContact O-N 3.02Å; W56-K58 PolarHBondContact O-N 3.3Å
59	C	84.9	Confident	86	Confident	22 Å²	22	57.6 Å²	57.6	15%	0.149	31%	0.312	C	S	.	.	S	Bend	trans	-82.5	124.1	-179.6	-65.1	0	0	0	0	109.8	W56 K84	W56-C59 PolarHBondContact O-N 3.45Å; C59-K84 HydrophobicContact CB-CB 4.09Å; C59-K84 HydrophobicContact CB-CD 4.39Å; C59-K84 HydrophobicContact CB-CG 4.38Å; C59-K84 WeakPolarHBondContact O-CE 3.28Å
60	P	88.3	Confident	86.7	Confident	79 Å²	79	58.3 Å²	58.3	51%	0.513	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-65	144.7	178.2	28	-34	0	0	0	110.5
61	V	88.9	Confident	87.4	Confident	73 Å²	73	54.9 Å²	54.9	44%	0.442	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-77	126.3	170.4	-178.4	0	0	0	0	108.1	R82 I83 K84 W114	V61-R82 HydrophobicContact CG1-CB 4.19Å; V61-I83 WeakPolarHBondContact CA-O 3.44Å; V61-K84 HydrophobicContact CG2-CD 4.4Å; V61-K84 HydrophobicContact CG2-CG 4.06Å; V61-W114 HydrophobicContact CB-CZ2 4.26Å; V61-W114 HydrophobicContact CG1-CH2 4.17Å; V61-W114 HydrophobicContact CG1-CZ2 3.75Å; V61-W114 HydrophobicContact CG2-CH2 4.39Å; V61-W114 HydrophobicContact CG2-CZ2 3.51Å
62	R	89.7	Confident	87.6	Confident	82 Å²	82	55.7 Å²	55.7	31%	0.309	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.1	176.2	-68	-176.9	169.7	153.4	-1.9	110.6	R82 I83 L170 D173	R62-R82 WeakPolarHBondContact O-CA 3.3Å; R62-I83 HydrophobicContact CB-CG1 4.28Å; R62-I83 PolarHBondContact N-O 3.24Å; R62-I83 PolarHBondContact O-N 2.99Å; R62-L170 HydrophobicContact CB-CD2 4.19Å; R62-D173 IonicContact CZ-OD2 4Å; R62-D173 IonicContact NE-OD1 3.98Å; R62-D173 IonicContact NE-OD2 3.47Å; R62-D173 PolarHBondContact NE-OD2 3.24Å; R62-D173 IonicContact NH2-OD2 2.63Å; R62-D173 PolarHBondContact NH2-OD2 3.23Å
63	C	90.1	Very high	88.1	Confident	72 Å²	72	59.7 Å²	59.7	49%	0.486	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.5	165	-71.8	0	0	0	0	109.3	E80 V81	C63-E80 PolarHBondContact SG-OE1 2.76Å; C63-V81 WeakPolarHBondContact CA-O 3.46Å
64	A	92.4	Very high	88.6	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.4	-179.2	0	0	0	0	0	110.5	V81 I83 L168 E169 L170	A64-V81 HydrophobicContact CB-CG2 4.17Å; A64-V81 PolarHBondContact N-O 3.42Å; A64-V81 WeakPolarHBondContact O-CG2 3.48Å; A64-V81 PolarHBondContact O-N 2.66Å; A64-I83 HydrophobicContact CB-CG1 4.5Å; A64-L168 HydrophobicContact CB-CD1 3.44Å; A64-L168 VanDerWaalsContact CB-CD1 3.44Å; A64-L168 HydrophobicContact CB-CD2 4.23Å; A64-L168 HydrophobicContact CB-CG 3.82Å; A64-E169 WeakPolarHBondContact CA-O 3.34Å; A64-L170 HydrophobicContact CB-CD2 3.65Å; A64-L170 HydrophobicContact CB-CG 4.26Å
65	L	94.6	Very high	89.1	Confident	66 Å²	66	60.7 Å²	60.7	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.7	171.3	-62	176.6	0	0	0	109.1	V78 E80 L168 E169	L65-V78 HydrophobicContact CB-CG1 4.38Å; L65-E80 HydrophobicContact CD2-CB 4.48Å; L65-L168 CarbonylContact O-C 3.54Å; L65-L168 WeakPolarHBondContact O-CA 3.42Å; L65-E169 HydrophobicContact CB-CB 4.23Å; L65-E169 PolarHBondContact N-O 3.4Å; L65-E169 PolarHBondContact O-N 3.38Å
66	R	95	Very high	89.6	Confident	9 Å²	9	60.7 Å²	60.7	3%	0.034	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.1	173.9	180	177.9	71	164.8	-4.1	109.1	R68 V78 D79 V81 V167 I190 D564	R66-R68 HydrophobicContact CG-CG 4.05Å; R66-V78 WeakPolarHBondContact O-CA 3.36Å; R66-D79 IonicContact CZ-OD1 2.81Å; R66-D79 IonicContact CZ-OD2 3.26Å; R66-D79 PolarHBondContact N-O 3.22Å; R66-D79 IonicContact NE-OD1 3.62Å; R66-D79 PolarHBondContact NE-OD1 3.24Å; R66-D79 IonicContact NE-OD2 2.73Å; R66-D79 PolarHBondContact NE-OD2 2.86Å; R66-D79 IonicContact NH2-OD1 2.78Å; R66-D79 PolarHBondContact NH2-OD1 3.38Å; R66-D79 IonicContact NH2-OD2 3.17Å; R66-D79 PolarHBondContact NH2-OD2 3.4Å; R66-D79 PolarHBondContact O-N 3.22Å; R66-V81 HydrophobicContact CB-CG1 4Å; R66-V81 HydrophobicContact CB-CG2 4.06Å; R66-V167 CarbonylContact C-O 3.59Å; R66-V167 WeakPolarHBondContact CA-O 3.45Å; R66-I190 HydrophobicContact CG-CD1 4.09Å; R66-D564 IonicContact NH1-OD2 2.74Å; R66-D564 PolarHBondContact NH1-OD2 2.84Å
67	H	96.4	Very high	90.2	Very high	22 Å²	22	63.5 Å²	63.5	10%	0.102	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.4	173.5	-55.8	-99.6	0	0	0	109.7	W76 V78 F135 S166 V167 E169	H67-W76 HydrophobicContact CB-CE3 4.04Å; H67-W76 HydrophobicContact CB-CZ3 4.15Å; H67-V78 VanDerWaalsContact ND1-CG2 3.35Å; H67-V78 WeakPolarHBondContact ND1-CG2 3.13Å; H67-F135 HydrophobicContact CB-CE1 3.87Å; H67-F135 HydrophobicContact CB-CZ 4.3Å; H67-F135 AromaticContact CD2-CZ 4Å; H67-F135 AromaticContact CG-CE1 3.79Å; H67-F135 AromaticContact CG-CZ 3.83Å; H67-F135 AromaticContact ND1-CE1 3.76Å; H67-F135 AromaticContact ND1-CZ 3.86Å; H67-S166 WeakPolarHBondContact O-CA 3.2Å; H67-S166 VanDerWaalsContact O-CB 3.3Å; H67-S166 WeakPolarHBondContact O-CB 3.18Å; H67-V167 HydrophobicContact CB-CB 4.12Å; H67-V167 PolarHBondContact N-O 3.45Å; H67-V167 PolarHBondContact O-N 3.04Å; H67-E169 IonicContact CD2-OE2 2.89Å; H67-E169 IonicContact CE1-OE2 3.06Å; H67-E169 IonicContact NE2-OE2 2.65Å; H67-E169 PolarHBondContact NE2-OE2 3.26Å
68	R	95.5	Very high	90.9	Very high	32 Å²	32	60.9 Å²	60.9	12%	0.121	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.5	178.4	-63.5	-175.2	-75.9	157	3.6	110.1	R66 W76 V77 D79 D564	R66-R68 HydrophobicContact CG-CG 4.05Å; R68-W76 CarbonylContact O-C 3.52Å; R68-W76 WeakPolarHBondContact O-CA 3.47Å; R68-V77 PolarHBondContact N-O 3Å; R68-V77 PolarHBondContact O-N 3.5Å; R68-D79 IonicContact CZ-OD1 3.58Å; R68-D79 IonicContact NE-OD1 3.08Å; R68-D79 PolarHBondContact NE-OD1 2.97Å; R68-D79 IonicContact NH2-OD1 3.85Å; R68-D79 IonicContact NH2-OD2 3.88Å; R68-D564 PolarHBondContact NH1-O 2.89Å
69	Y	94.8	Very high	91.4	Very high	21 Å²	21	53.6 Å²	53.6	8%	0.082	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.8	178.3	-178.2	-115.4	0	0	0	111.8	A71 K74 W76 R139 M142 E143	Y69-A71 HydrophobicContact CD1-CB 4.37Å; Y69-A71 HydrophobicContact CE1-CB 4.04Å; Y69-K74 WeakPolarHBondContact OH-CD 3.49Å; Y69-W76 AromaticContact CD2-CD2 3.88Å; Y69-W76 HydrophobicContact CD2-CD2 3.88Å; Y69-W76 AromaticContact CD2-CE2 3.59Å; Y69-W76 HydrophobicContact CD2-CE3 4.5Å; Y69-W76 HydrophobicContact CD2-CG 4.14Å; Y69-W76 HydrophobicContact CD2-CZ2 4.03Å; Y69-W76 AromaticContact CD2-NE1 3.64Å; Y69-W76 AromaticContact CE2-NE1 3.97Å; Y69-W76 HydrophobicContact CG-CD2 4.43Å; Y69-W76 HydrophobicContact CG-CH2 4.45Å; Y69-W76 HydrophobicContact CG-CZ2 4.21Å; Y69-R139 HydrophobicContact CD1-CB 4.2Å; Y69-R139 HydrophobicContact CD1-CG 3.91Å; Y69-R139 HydrophobicContact CD2-CG 4.23Å; Y69-R139 HydrophobicContact CE1-CB 3.95Å; Y69-R139 HydrophobicContact CE1-CG 3.74Å; Y69-R139 HydrophobicContact CE2-CG 4.11Å; Y69-R139 HydrophobicContact CG-CG 4.12Å; Y69-M142 HydrophobicContact CD1-CB 3.94Å; Y69-M142 HydrophobicContact CD1-CG 4.46Å; Y69-E143 HydrophobicContact CE1-CG 4.37Å; Y69-E143 PolarHBondContact OH-OE1 3.49Å
70	S	90.6	Very high	91.7	Very high	36 Å²	36	58.7 Å²	58.7	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.5	168.8	-178.6	0	0	0	0	109.5	I72 K73 K74 K75	S70-I72 PolarHBondContact O-N 3.13Å; S70-K73 PolarHBondContact O-N 2.96Å; S70-K73 PolarHBondContact OG-N 3.49Å; S70-K74 VanDerWaalsContact O-CA 3.27Å; S70-K74 WeakPolarHBondContact O-CA 3.23Å; S70-K74 PolarHBondContact O-N 3.43Å; S70-K75 PolarHBondContact N-O 2.9Å; S70-K75 PolarHBondContact O-N 3.49Å
71	A	89.3	Confident	91.9	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.7	178.5	0	0	0	0	0	113.5	Y69 K74 M142 E143 L146 N576	Y69-A71 HydrophobicContact CD1-CB 4.37Å; Y69-A71 HydrophobicContact CE1-CB 4.04Å; A71-K74 WeakPolarHBondContact O-CD 3.4Å; A71-K74 WeakPolarHBondContact O-CE 3.47Å; A71-M142 HydrophobicContact CB-CB 4.22Å; A71-M142 WeakPolarHBondContact CB-O 3.36Å; A71-E143 HydrophobicContact CB-CG 3.78Å; A71-L146 HydrophobicContact CB-CD1 3.46Å; A71-L146 VanDerWaalsContact CB-CD1 3.46Å; A71-L146 HydrophobicContact CB-CG 3.93Å; A71-N576 PolarHBondContact O-ND2 3.08Å
72	I	85.5	Confident	92	Very high	35 Å²	35	55.6 Å²	55.6	18%	0.179	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-51.1	176.9	-60.1	173.1	0	0	0	110.6	S70 K74 L146 V573 N576	S70-I72 PolarHBondContact O-N 3.13Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 3.35Å; I72-L146 HydrophobicContact CD1-CD2 3.97Å; I72-L146 HydrophobicContact CG1-CD1 3.94Å; I72-L146 HydrophobicContact CG1-CD2 3.69Å; I72-L146 HydrophobicContact CG1-CG 4.48Å; I72-V573 HydrophobicContact CG2-CG2 4.14Å; I72-N576 PolarHBondContact O-ND2 3.37Å
73	K	86.3	Confident	92.1	Very high	108 Å²	108	51.8 Å²	51.8	47%	0.47	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.2	-178.5	-61.4	-177.4	-179.6	-179	0	112.6	S70 K75	S70-K73 PolarHBondContact O-N 2.96Å; S70-K73 PolarHBondContact OG-N 3.49Å; K73-K75 HydrophobicContact CB-CB 4.28Å; K73-K75 WeakPolarHBondContact O-CG 3.28Å; K73-K75 PolarHBondContact O-N 2.87Å
74	K	88.2	Confident	92.3	Very high	83 Å²	83	49 Å²	49	36%	0.361	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.9	-171.1	-61.2	-71.6	-174.2	165.4	0	111.8	Y69 S70 A71 I72 E143 N576	Y69-K74 WeakPolarHBondContact OH-CD 3.49Å; S70-K74 VanDerWaalsContact O-CA 3.27Å; S70-K74 WeakPolarHBondContact O-CA 3.23Å; S70-K74 PolarHBondContact O-N 3.43Å; A71-K74 WeakPolarHBondContact O-CD 3.4Å; A71-K74 WeakPolarHBondContact O-CE 3.47Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 3.35Å; K74-E143 IonicContact NZ-OE1 3.29Å; K74-E143 PolarHBondContact NZ-OE1 3.06Å; K74-E143 IonicContact NZ-OE2 3.01Å; K74-E143 PolarHBondContact NZ-OE2 2.74Å; K74-N576 WeakPolarHBondContact CE-ND2 3.42Å; K74-N576 WeakPolarHBondContact CE-OD1 3.29Å
75	K	92.6	Very high	92.2	Very high	142 Å²	142	49.8 Å²	49.8	62%	0.617	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.3	-174.9	-78	179.6	-177	-175.1	0	111.7	S70 K73	S70-K75 PolarHBondContact N-O 2.9Å; S70-K75 PolarHBondContact O-N 3.49Å; K73-K75 HydrophobicContact CB-CB 4.28Å; K73-K75 WeakPolarHBondContact O-CG 3.28Å; K73-K75 PolarHBondContact O-N 2.87Å
76	W	95	Very high	92.1	Very high	70 Å²	70	48.4 Å²	48.4	27%	0.265	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.3	170.9	-67.8	89.9	0	0	0	110.7	H67 R68 Y69 F135 V138 R139	H67-W76 HydrophobicContact CB-CE3 4.04Å; H67-W76 HydrophobicContact CB-CZ3 4.15Å; R68-W76 CarbonylContact O-C 3.52Å; R68-W76 WeakPolarHBondContact O-CA 3.47Å; Y69-W76 AromaticContact CD2-CD2 3.88Å; Y69-W76 HydrophobicContact CD2-CD2 3.88Å; Y69-W76 AromaticContact CD2-CE2 3.59Å; Y69-W76 HydrophobicContact CD2-CE3 4.5Å; Y69-W76 HydrophobicContact CD2-CG 4.14Å; Y69-W76 HydrophobicContact CD2-CZ2 4.03Å; Y69-W76 AromaticContact CD2-NE1 3.64Å; Y69-W76 AromaticContact CE2-NE1 3.97Å; Y69-W76 HydrophobicContact CG-CD2 4.43Å; Y69-W76 HydrophobicContact CG-CH2 4.45Å; Y69-W76 HydrophobicContact CG-CZ2 4.21Å; W76-F135 HydrophobicContact CD2-CD1 4.08Å; W76-F135 HydrophobicContact CD2-CE1 4.48Å; W76-F135 AromaticContact CE2-CD1 3.88Å; W76-F135 AromaticContact CE3-CD1 3.95Å; W76-F135 HydrophobicContact CE3-CD1 3.95Å; W76-F135 HydrophobicContact CE3-CE1 4.19Å; W76-F135 HydrophobicContact CH2-CB 3.84Å; W76-F135 AromaticContact CH2-CD1 3.4Å; W76-F135 HydrophobicContact CH2-CD1 3.4Å; W76-F135 VanDerWaalsContact CH2-CD1 3.4Å; W76-F135 HydrophobicContact CH2-CE1 4.33Å; W76-F135 AromaticContact CH2-CG 3.99Å; W76-F135 HydrophobicContact CH2-CG 3.99Å; W76-F135 WeakPolarHBondContact CH2-O 3.38Å; W76-F135 HydrophobicContact CZ2-CB 3.78Å; W76-F135 AromaticContact CZ2-CD1 3.55Å; W76-F135 HydrophobicContact CZ2-CD1 3.55Å; W76-F135 HydrophobicContact CZ2-CG 4.14Å; W76-F135 WeakPolarHBondContact CZ2-O 3.45Å; W76-F135 AromaticContact CZ3-CD1 3.62Å; W76-F135 HydrophobicContact CZ3-CD1 3.62Å; W76-F135 HydrophobicContact CZ3-CE1 4.11Å; W76-V138 HydrophobicContact CH2-CB 3.89Å; W76-V138 HydrophobicContact CH2-CG1 3.72Å; W76-V138 HydrophobicContact CZ3-CB 4.36Å; W76-V138 HydrophobicContact CZ3-CG1 3.82Å; W76-R139 HydrophobicContact CH2-CG 4.39Å; W76-R139 HydrophobicContact CZ2-CG 3.66Å
77	V	93.8	Very high	91.7	Very high	64 Å²	64	52.9 Å²	52.9	39%	0.388	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.6	172.9	179.7	0	0	0	0	106.8	R68	R68-V77 PolarHBondContact N-O 3Å; R68-V77 PolarHBondContact O-N 3.5Å
78	V	94.6	Very high	91.4	Very high	78 Å²	78	58.4 Å²	58.4	47%	0.473	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.3	-178.1	-171.5	0	0	0	0	109.2	L65 R66 H67	L65-V78 HydrophobicContact CB-CG1 4.38Å; R66-V78 WeakPolarHBondContact O-CA 3.36Å; H67-V78 VanDerWaalsContact ND1-CG2 3.35Å; H67-V78 WeakPolarHBondContact ND1-CG2 3.13Å
79	D	92.5	Very high	91.3	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.9	176	64.1	-44.7	0	0	0	112.7	R66 R68 Q106	R66-D79 IonicContact CZ-OD1 2.81Å; R66-D79 IonicContact CZ-OD2 3.26Å; R66-D79 PolarHBondContact N-O 3.22Å; R66-D79 IonicContact NE-OD1 3.62Å; R66-D79 PolarHBondContact NE-OD1 3.24Å; R66-D79 IonicContact NE-OD2 2.73Å; R66-D79 PolarHBondContact NE-OD2 2.86Å; R66-D79 IonicContact NH2-OD1 2.78Å; R66-D79 PolarHBondContact NH2-OD1 3.38Å; R66-D79 IonicContact NH2-OD2 3.17Å; R66-D79 PolarHBondContact NH2-OD2 3.4Å; R66-D79 PolarHBondContact O-N 3.22Å; R68-D79 IonicContact CZ-OD1 3.58Å; R68-D79 IonicContact NE-OD1 3.08Å; R68-D79 PolarHBondContact NE-OD1 2.97Å; R68-D79 IonicContact NH2-OD1 3.85Å; R68-D79 IonicContact NH2-OD2 3.88Å; D79-Q106 PolarHBondContact OD2-NE2 2.97Å
80	E	92.6	Very high	91.1	Very high	128 Å²	128	61.5 Å²	61.5	60%	0.598	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.2	176.8	-168.3	-178	169	0	0	110.7	C63 L65	C63-E80 PolarHBondContact SG-OE1 2.76Å; L65-E80 HydrophobicContact CD2-CB 4.48Å
81	V	91.4	Very high	90.9	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.8	-179.9	-63.1	0	0	0	0	111.6	C63 A64 R66 I83 K103 L168	C63-V81 WeakPolarHBondContact CA-O 3.46Å; A64-V81 HydrophobicContact CB-CG2 4.17Å; A64-V81 PolarHBondContact N-O 3.42Å; A64-V81 WeakPolarHBondContact O-CG2 3.48Å; A64-V81 PolarHBondContact O-N 2.66Å; R66-V81 HydrophobicContact CB-CG1 4Å; R66-V81 HydrophobicContact CB-CG2 4.06Å; V81-I83 HydrophobicContact CG2-CG2 4.1Å; V81-K103 HydrophobicContact CB-CG 4.45Å; V81-K103 HydrophobicContact CG1-CD 4.4Å; V81-L168 HydrophobicContact CG2-CD1 3.71Å
82	R	91.1	Very high	90.9	Very high	81 Å²	81	71.2 Å²	71.2	31%	0.306	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.8	170.9	-68.6	-171	-67.8	-175.8	0.2	110.1	V61 R62 Q104 T109	V61-R82 HydrophobicContact CG1-CB 4.19Å; R62-R82 WeakPolarHBondContact O-CA 3.3Å; R82-Q104 HydrophobicContact CB-CB 4.36Å; R82-Q104 PolarHBondContact O-N 2.73Å; R82-T109 PolarHBondContact NH2-O 2.94Å
83	I	92.7	Very high	90.9	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.8	-175.7	63.1	148.4	0	0	0	112.6	V61 R62 A64 V81 M85 M101 K102 K103 L168 L170	V61-I83 WeakPolarHBondContact CA-O 3.44Å; R62-I83 HydrophobicContact CB-CG1 4.28Å; R62-I83 PolarHBondContact N-O 3.24Å; R62-I83 PolarHBondContact O-N 2.99Å; A64-I83 HydrophobicContact CB-CG1 4.5Å; V81-I83 HydrophobicContact CG2-CG2 4.1Å; I83-M85 HydrophobicContact CD1-CB 4.27Å; I83-M101 HydrophobicContact CB-CG 4.18Å; I83-M101 HydrophobicContact CB-SD 4.01Å; I83-M101 HydrophobicContact CD1-CG 4.31Å; I83-M101 HydrophobicContact CD1-SD 3.68Å; I83-M101 HydrophobicContact CG1-SD 4.49Å; I83-M101 HydrophobicContact CG2-CG 4.45Å; I83-M101 HydrophobicContact CG2-SD 3.85Å; I83-K102 VanDerWaalsContact CA-O 3.3Å; I83-K102 WeakPolarHBondContact CA-O 3.46Å; I83-K103 HydrophobicContact CG2-CB 4.42Å; I83-K103 HydrophobicContact CG2-CG 4.22Å; I83-L168 HydrophobicContact CD1-CD2 3.68Å; I83-L170 HydrophobicContact CD1-CD1 4.48Å; I83-L170 HydrophobicContact CD1-CD2 4.2Å
84	K	92.5	Very high	90.9	Very high	13 Å²	13	70.9 Å²	70.9	6%	0.057	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.8	160.5	-75.1	-175.6	170.8	-171.3	0	107.8	W56 C59 V61 M101 K102 W114	W56-K84 HydrophobicContact CB-CD 4.45Å; W56-K84 HydrophobicContact CE3-CB 4.21Å; W56-K84 WeakPolarHBondContact O-CD 3.42Å; W56-K84 WeakPolarHBondContact O-CE 3.15Å; W56-K84 PolarHBondContact O-NZ 2.8Å; C59-K84 HydrophobicContact CB-CB 4.09Å; C59-K84 HydrophobicContact CB-CD 4.39Å; C59-K84 HydrophobicContact CB-CG 4.38Å; C59-K84 WeakPolarHBondContact O-CE 3.28Å; V61-K84 HydrophobicContact CG2-CD 4.4Å; V61-K84 HydrophobicContact CG2-CG 4.06Å; K84-M101 CarbonylContact O-C 3.43Å; K84-M101 VanDerWaalsContact O-CA 3.28Å; K84-M101 WeakPolarHBondContact O-CA 3.45Å; K84-M101 WeakPolarHBondContact O-CG 3.4Å; K84-K102 PolarHBondContact N-O 2.84Å; K84-K102 PolarHBondContact O-N 2.96Å; K84-W114 HydrophobicContact CB-CE3 4.29Å; K84-W114 HydrophobicContact CB-CZ3 4.11Å; K84-W114 HydrophobicContact CD-CD2 3.64Å; K84-W114 HydrophobicContact CD-CE3 3.87Å; K84-W114 HydrophobicContact CD-CG 4.01Å; K84-W114 HydrophobicContact CD-CH2 4.5Å; K84-W114 HydrophobicContact CD-CZ2 4.33Å; K84-W114 HydrophobicContact CD-CZ3 4.29Å; K84-W114 HydrophobicContact CG-CD2 4.09Å; K84-W114 HydrophobicContact CG-CE3 3.95Å; K84-W114 HydrophobicContact CG-CH2 3.89Å; K84-W114 HydrophobicContact CG-CZ2 4.04Å; K84-W114 HydrophobicContact CG-CZ3 3.84Å
85	M	92.2	Very high	90.9	Very high	21 Å²	21	73 Å²	73	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.6	-176.3	-172.4	173.9	74.1	0	0	109.9	I83 F99 R100 M101 A122 L170 F188	I83-M85 HydrophobicContact CD1-CB 4.27Å; M85-F99 HydrophobicContact CG-CB 4.05Å; M85-F99 HydrophobicContact SD-CB 4.27Å; M85-R100 WeakPolarHBondContact CA-O 3.2Å; M85-M101 HydrophobicContact CB-CB 4.46Å; M85-M101 HydrophobicContact CB-CG 4.22Å; M85-M101 HydrophobicContact CG-CB 4.31Å; M85-M101 HydrophobicContact CG-CG 4.48Å; M85-A122 HydrophobicContact SD-CB 3.72Å; M85-L170 HydrophobicContact CE-CD1 3.95Å; M85-F188 HydrophobicContact CE-CE1 4.06Å; M85-F188 HydrophobicContact CE-CE2 4.29Å; M85-F188 HydrophobicContact CE-CZ 3.84Å; M85-F188 HydrophobicContact SD-CD1 4.47Å; M85-F188 HydrophobicContact SD-CE1 4.31Å
86	E	91.1	Very high	90.9	Very high	37 Å²	37	68.3 Å²	68.3	17%	0.173	36%	0.361	C	S	.	.			trans	-65.9	147.4	172.4	-67.8	-172.5	150	0	0	110.4	R100	E86-R100 HydrophobicContact CG-CB 4.18Å; E86-R100 PolarHBondContact N-O 3.23Å; E86-R100 IonicContact OE1-NH1 3.85Å; E86-R100 WeakPolarHBondContact OE2-CB 3.47Å; E86-R100 WeakPolarHBondContact OE2-CD 3.36Å; E86-R100 WeakPolarHBondContact OE2-CG 3.5Å; E86-R100 IonicContact OE2-CZ 3.66Å; E86-R100 IonicContact OE2-NH1 3.74Å; E86-R100 PolarHBondContact OE2-NH1 3.1Å
87	S	86.7	Confident	90.9	Very high	103 Å²	103	66.4 Å²	66.4	72%	0.72	36%	0.355	S	S	*	.	S	Bend	trans	-77.6	-30.5	178.2	56.8	0	0	0	0	113	F99	S87-F99 WeakPolarHBondContact O-CE1 3.45Å
88	E	90.3	Very high	90.9	Very high	138 Å²	138	64.2 Å²	64.2	65%	0.645	34%	0.343	S	S	*	.	S	Bend	trans	-100.3	140.1	-178.8	-62	-57.1	133.2	0	0	110.5
89	P	92.6	Very high	90.9	Very high	49 Å²	49	60.9 Å²	60.9	32%	0.318	32%	0.322	S	S	.	.			trans	-69.6	142.6	173.6	31.2	-34.9	0	0	0	110.2	E97 C98 F99	P89-E97 HydrophobicContact CB-CB 3.94Å; P89-E97 HydrophobicContact CG-CB 4.48Å; P89-C98 CarbonylContact C-O 3.58Å; P89-C98 WeakPolarHBondContact CA-O 3.23Å; P89-C98 WeakPolarHBondContact CB-O 3.33Å; P89-F99 HydrophobicContact CB-CD1 4.22Å; P89-F99 HydrophobicContact CB-CE1 3.9Å; P89-F99 HydrophobicContact CB-CE2 4.43Å; P89-F99 HydrophobicContact CB-CZ 4.01Å; P89-F99 HydrophobicContact CG-CE1 4.29Å; P89-F99 HydrophobicContact CG-CZ 4.43Å
90	F	90.4	Very high	90.9	Very high	70 Å²	70	62.4 Å²	62.4	31%	0.307	33%	0.326	S	S	.	.	S	Bend	trans	-94.1	-19.4	175.7	79.9	-87.7	0	0	0	113.3	C98 R100 V121	F90-C98 HydrophobicContact CD1-CB 4.24Å; F90-C98 WeakPolarHBondContact CD1-O 3.31Å; F90-C98 HydrophobicContact CE1-CB 3.7Å; F90-C98 HydrophobicContact CZ-CB 4.06Å; F90-C98 PolarHBondContact N-O 3.37Å; F90-R100 HydrophobicContact CB-CG 4.3Å; F90-R100 VanDerWaalsContact CB-NH1 3.26Å; F90-R100 HydrophobicContact CD1-CG 3.47Å; F90-R100 VanDerWaalsContact CD1-CG 3.47Å; F90-R100 HydrophobicContact CE1-CG 3.94Å; F90-R100 HydrophobicContact CG-CG 3.94Å; F90-V121 HydrophobicContact CE1-CG1 4.19Å; F90-V121 HydrophobicContact CE1-CG2 4.37Å; F90-V121 HydrophobicContact CZ-CG1 4.47Å; F90-V121 HydrophobicContact CZ-CG2 4.28Å
91	D	88.4	Confident	90.9	Very high	73 Å²	73	56.3 Å²	56.3	39%	0.39	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	164.2	179	-159.8	4	0	0	0	110.7	C98	D91-C98 HydrophobicContact CB-CB 4.26Å; D91-C98 PolarHBondContact O-N 2.88Å
92	R	89.2	Confident	91	Very high	170 Å²	170	56 Å²	56	64%	0.642	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	133	176.6	63.7	-173.7	178.8	-165.3	-0.3	111.3	R96 E97	R92-R96 WeakPolarHBondContact CA-O 3.41Å; R92-E97 HydrophobicContact CB-CB 4.37Å
93	G	85.8	Confident	90.9	Very high	49 Å²	49	52.8 Å²	52.8	51%	0.505	28%	0.284	S	S	.	.			trans	-87.4	-162.9	165.6	0	0	0	0	0	111.6	R96	G93-R96 PolarHBondContact N-O 2.96Å
94	A	85.5	Confident	90.5	Very high	88 Å²	88	53.2 Å²	53.2	73%	0.727	29%	0.285	S	S	*	.	S	Bend	trans	-64.8	-42.7	178.2	0	0	0	0	0	112.6
95	M	88.1	Confident	89.6	Confident	126 Å²	126	55.4 Å²	55.4	62%	0.621	30%	0.303	S	S	*	.	S	Bend	trans	-115.6	-18.4	-172.8	-60.8	177.5	73.2	0	0	114.2	Y125 I126	M95-Y125 HydrophobicContact CB-CD1 4.27Å; M95-Y125 HydrophobicContact CE-CE1 4.37Å; M95-Y125 WeakPolarHBondContact O-CA 3.43Å; M95-I126 PolarHBondContact O-N 2.96Å
96	R	92.7	Very high	88.4	Confident	44 Å²	44	60 Å²	60	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	-170.3	-67.4	175.5	-68.9	169.9	4	111.6	R92 G93 K123 R124 Y125 D245	R92-R96 WeakPolarHBondContact CA-O 3.41Å; G93-R96 PolarHBondContact N-O 2.96Å; R96-K123 HydrophobicContact CB-CB 4.49Å; R96-R124 CarbonylContact C-O 3.59Å; R96-R124 WeakPolarHBondContact CA-O 2.92Å; R96-Y125 HydrophobicContact CG-CD1 3.6Å; R96-Y125 HydrophobicContact CG-CE1 3.81Å; R96-Y125 HydrophobicContact CG-CG 4.14Å; R96-D245 IonicContact CZ-OD1 3.65Å; R96-D245 IonicContact CZ-OD2 3.39Å; R96-D245 IonicContact NH1-OD1 2.75Å; R96-D245 PolarHBondContact NH1-OD1 3.35Å; R96-D245 IonicContact NH1-OD2 2.76Å; R96-D245 IonicContact NH2-OD1 3.39Å; R96-D245 PolarHBondContact NH2-OD1 3.04Å; R96-D245 VanDerWaalsContact NH2-OD1 3.17Å; R96-D245 IonicContact NH2-OD2 4Å; R96-D245 PolarHBondContact NH2-OD2 3.04Å
97	E	94.1	Very high	87	Confident	30 Å²	30	69.9 Å²	69.9	14%	0.14	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.5	170.4	49	173.2	-173.4	0	0	110.4	P89 R92 F99 K123 R124 I126	P89-E97 HydrophobicContact CB-CB 3.94Å; P89-E97 HydrophobicContact CG-CB 4.48Å; R92-E97 HydrophobicContact CB-CB 4.37Å; E97-F99 HydrophobicContact CB-CE2 4.43Å; E97-F99 HydrophobicContact CG-CE2 3.75Å; E97-F99 HydrophobicContact CG-CZ 4.07Å; E97-F99 WeakPolarHBondContact OE1-CZ 3.4Å; E97-K123 CarbonylContact O-C 3.51Å; E97-K123 VanDerWaalsContact O-CA 3.25Å; E97-K123 WeakPolarHBondContact O-CA 3.19Å; E97-R124 HydrophobicContact CG-CB 4.24Å; E97-R124 WeakPolarHBondContact CG-O 3.39Å; E97-R124 PolarHBondContact N-O 3.3Å; E97-R124 PolarHBondContact O-N 3.4Å; E97-R124 IonicContact OE1-CZ 3.27Å; E97-R124 IonicContact OE1-NE 2.65Å; E97-R124 PolarHBondContact OE1-NE 2.94Å; E97-R124 IonicContact OE1-NH2 3.09Å; E97-R124 PolarHBondContact OE1-NH2 3.04Å; E97-I126 HydrophobicContact CB-CG1 4.44Å; E97-I126 HydrophobicContact CG-CG1 4.34Å
98	C	93.9	Very high	85.6	Confident	19 Å²	19	66.3 Å²	66.3	13%	0.128	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.6	-172.2	-63.5	0	0	0	0	111.1	P89 F90 D91 V121 A122	P89-C98 CarbonylContact C-O 3.58Å; P89-C98 WeakPolarHBondContact CA-O 3.23Å; P89-C98 WeakPolarHBondContact CB-O 3.33Å; F90-C98 HydrophobicContact CD1-CB 4.24Å; F90-C98 WeakPolarHBondContact CD1-O 3.31Å; F90-C98 HydrophobicContact CE1-CB 3.7Å; F90-C98 HydrophobicContact CZ-CB 4.06Å; F90-C98 PolarHBondContact N-O 3.37Å; D91-C98 HydrophobicContact CB-CB 4.26Å; D91-C98 PolarHBondContact O-N 2.88Å; C98-V121 HydrophobicContact CB-CG1 3.84Å; C98-A122 CarbonylContact C-O 3.51Å; C98-A122 WeakPolarHBondContact CA-O 3.24Å
99	F	94.4	Very high	84	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.1	178.9	-57.8	-96.1	0	0	0	109.9	M85 S87 P89 E97 V121 A122 R124 F188	M85-F99 HydrophobicContact CG-CB 4.05Å; M85-F99 HydrophobicContact SD-CB 4.27Å; S87-F99 WeakPolarHBondContact O-CE1 3.45Å; P89-F99 HydrophobicContact CB-CD1 4.22Å; P89-F99 HydrophobicContact CB-CE1 3.9Å; P89-F99 HydrophobicContact CB-CE2 4.43Å; P89-F99 HydrophobicContact CB-CZ 4.01Å; P89-F99 HydrophobicContact CG-CE1 4.29Å; P89-F99 HydrophobicContact CG-CZ 4.43Å; E97-F99 HydrophobicContact CB-CE2 4.43Å; E97-F99 HydrophobicContact CG-CE2 3.75Å; E97-F99 HydrophobicContact CG-CZ 4.07Å; E97-F99 WeakPolarHBondContact OE1-CZ 3.4Å; F99-V121 WeakPolarHBondContact O-CA 3.26Å; F99-A122 HydrophobicContact CB-CB 4.31Å; F99-A122 PolarHBondContact N-O 3.41Å; F99-A122 PolarHBondContact O-N 2.91Å; F99-R124 HydrophobicContact CE2-CB 4.05Å; F99-F188 HydrophobicContact CD2-CD1 4.35Å; F99-F188 AromaticContact CD2-CE1 3.98Å; F99-F188 HydrophobicContact CD2-CE1 3.98Å; F99-F188 AromaticContact CE2-CE1 3.92Å; F99-F188 HydrophobicContact CE2-CE1 3.92Å
100	R	93.9	Very high	82.3	Confident	55 Å²	55	68.3 Å²	68.3	21%	0.208	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.4	171.8	-58.1	-171.6	-176	88.4	0.6	109.5	W51 W56 M85 E86 F90	W51-R100 HydrophobicContact CD2-CG 4.45Å; W51-R100 HydrophobicContact CE3-CB 4.12Å; W51-R100 HydrophobicContact CE3-CG 4.43Å; W51-R100 HydrophobicContact CH2-CB 3.87Å; W51-R100 HydrophobicContact CH2-CG 3.79Å; W51-R100 HydrophobicContact CZ2-CB 4.34Å; W51-R100 HydrophobicContact CZ2-CG 3.78Å; W51-R100 HydrophobicContact CZ3-CB 3.75Å; W51-R100 HydrophobicContact CZ3-CG 4.12Å; W56-R100 HydrophobicContact CH2-CB 3.99Å; M85-R100 WeakPolarHBondContact CA-O 3.2Å; E86-R100 HydrophobicContact CG-CB 4.18Å; E86-R100 PolarHBondContact N-O 3.23Å; E86-R100 IonicContact OE1-NH1 3.85Å; E86-R100 WeakPolarHBondContact OE2-CB 3.47Å; E86-R100 WeakPolarHBondContact OE2-CD 3.36Å; E86-R100 WeakPolarHBondContact OE2-CG 3.5Å; E86-R100 IonicContact OE2-CZ 3.66Å; E86-R100 IonicContact OE2-NH1 3.74Å; E86-R100 PolarHBondContact OE2-NH1 3.1Å; F90-R100 HydrophobicContact CB-CG 4.3Å; F90-R100 VanDerWaalsContact CB-NH1 3.26Å; F90-R100 HydrophobicContact CD1-CG 3.47Å; F90-R100 VanDerWaalsContact CD1-CG 3.47Å; F90-R100 HydrophobicContact CE1-CG 3.94Å; F90-R100 HydrophobicContact CG-CG 3.94Å
101	M	92.9	Very high	80.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.5	-178.9	-173.6	-178.7	68.5	0	0	110.9	I83 K84 M85 Y120 A122 L168 I190	I83-M101 HydrophobicContact CB-CG 4.18Å; I83-M101 HydrophobicContact CB-SD 4.01Å; I83-M101 HydrophobicContact CD1-CG 4.31Å; I83-M101 HydrophobicContact CD1-SD 3.68Å; I83-M101 HydrophobicContact CG1-SD 4.49Å; I83-M101 HydrophobicContact CG2-CG 4.45Å; I83-M101 HydrophobicContact CG2-SD 3.85Å; K84-M101 CarbonylContact O-C 3.43Å; K84-M101 VanDerWaalsContact O-CA 3.28Å; K84-M101 WeakPolarHBondContact O-CA 3.45Å; K84-M101 WeakPolarHBondContact O-CG 3.4Å; M85-M101 HydrophobicContact CB-CB 4.46Å; M85-M101 HydrophobicContact CB-CG 4.22Å; M85-M101 HydrophobicContact CG-CB 4.31Å; M85-M101 HydrophobicContact CG-CG 4.48Å; M101-Y120 HydrophobicContact CE-CD1 4.21Å; M101-Y120 HydrophobicContact CE-CG 3.86Å; M101-Y120 PolarHBondContact N-O 3.43Å; M101-Y120 WeakPolarHBondContact O-CA 3.26Å; M101-Y120 PolarHBondContact O-N 3.31Å; M101-A122 HydrophobicContact CB-CB 4.43Å; M101-A122 HydrophobicContact SD-CB 4.32Å; M101-L168 HydrophobicContact SD-CD2 3.98Å; M101-I190 HydrophobicContact CE-CB 3.87Å; M101-I190 HydrophobicContact CE-CD1 4.28Å; M101-I190 HydrophobicContact CE-CG2 3.53Å; M101-I190 HydrophobicContact SD-CG2 4.17Å
102	K	91.7	Very high	79.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.7	164	-77.1	-169.9	164	-170.1	0	109.8	D49 W56 I83 K84 W114 N119	D49-K102 IonicContact OD2-NZ 2.87Å; D49-K102 PolarHBondContact OD2-NZ 2.76Å; W56-K102 HydrophobicContact CD2-CD 3.68Å; W56-K102 HydrophobicContact CD2-CG 4.11Å; W56-K102 VanDerWaalsContact CE2-CD 3.5Å; W56-K102 HydrophobicContact CE3-CD 4.26Å; W56-K102 HydrophobicContact CE3-CG 4.25Å; W56-K102 HydrophobicContact CG-CD 3.97Å; W56-K102 HydrophobicContact CH2-CD 4.49Å; W56-K102 HydrophobicContact CH2-CG 3.95Å; W56-K102 HydrophobicContact CZ2-CD 3.94Å; W56-K102 HydrophobicContact CZ2-CG 3.8Å; W56-K102 HydrophobicContact CZ3-CB 4.47Å; W56-K102 HydrophobicContact CZ3-CG 4.18Å; W56-K102 VanDerWaalsContact NE1-CE 3.28Å; I83-K102 VanDerWaalsContact CA-O 3.3Å; I83-K102 WeakPolarHBondContact CA-O 3.46Å; K84-K102 PolarHBondContact N-O 2.84Å; K84-K102 PolarHBondContact O-N 2.96Å; K102-W114 HydrophobicContact CB-CE3 4.04Å; K102-W114 HydrophobicContact CB-CZ3 4.3Å; K102-W114 WeakPolarHBondContact CD-O 3.47Å; K102-W114 PolarHBondContact NZ-O 2.95Å; K102-N119 WeakPolarHBondContact CE-OD1 3.42Å
103	K	89.7	Confident	79.2	Confident	15 Å²	15	66.4 Å²	66.4	7%	0.065	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124	177.9	-171.4	-167.1	83.3	-172.2	0	109.7	V81 I83 T117 S118 Y120 D564	V81-K103 HydrophobicContact CB-CG 4.45Å; V81-K103 HydrophobicContact CG1-CD 4.4Å; I83-K103 HydrophobicContact CG2-CB 4.42Å; I83-K103 HydrophobicContact CG2-CG 4.22Å; K103-T117 WeakPolarHBondContact O-CB 3.37Å; K103-S118 PolarHBondContact N-O 3.4Å; K103-Y120 HydrophobicContact CB-CD2 3.61Å; K103-Y120 HydrophobicContact CB-CE2 3.63Å; K103-Y120 HydrophobicContact CB-CG 4.42Å; K103-Y120 HydrophobicContact CD-CE2 4.05Å; K103-Y120 HydrophobicContact CG-CE2 4.47Å; K103-Y120 PolarHBondContact NZ-OH 3.43Å; K103-D564 IonicContact NZ-OD2 3.07Å; K103-D564 PolarHBondContact NZ-OD2 3.29Å
104	Q	84.5	Confident	78.9	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.047	34%	0.339	C	S	.	.			trans	-68.1	140.8	177.3	-161	177.4	20.6	0	0	111	R82 A108 T111 W114 T117	R82-Q104 HydrophobicContact CB-CB 4.36Å; R82-Q104 PolarHBondContact O-N 2.73Å; Q104-A108 PolarHBondContact NE2-O 3.31Å; Q104-T111 PolarHBondContact NE2-O 3.4Å; Q104-W114 HydrophobicContact CB-CH2 3.97Å; Q104-W114 HydrophobicContact CB-CZ2 4.44Å; Q104-W114 HydrophobicContact CB-CZ3 4.18Å; Q104-T117 HydrophobicContact CB-CG2 4.46Å; Q104-T117 HydrophobicContact CG-CG2 4.31Å
105	S	73.7	Confident	78.4	Confident	60 Å²	60	65.4 Å²	65.4	42%	0.42	33%	0.327	S	S	.	.			trans	-69.9	135.7	175.9	176.8	0	0	0	0	110.9	R107 A108	S105-R107 PolarHBondContact O-N 3.35Å; S105-R107 PolarHBondContact OG-N 3.48Å; S105-A108 PolarHBondContact O-N 2.95Å
106	Q	66.6	Low	77.6	Confident	118 Å²	118	67.2 Å²	67.2	55%	0.551	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61.8	-24.3	175.4	-75.9	175.3	-9.7	0	0	112.9	D79 A108	D79-Q106 PolarHBondContact OD2-NE2 2.97Å; Q106-A108 VanDerWaalsContact C-N 3.29Å
107	R	61.9	Low	77	Confident	243 Å²	243	65.8 Å²	65.8	92%	0.917	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-82.5	-6.8	176.4	-68.4	-177.1	-179.7	166.9	1	113.5	S105	S105-R107 PolarHBondContact O-N 3.35Å; S105-R107 PolarHBondContact OG-N 3.48Å
108	A	57.7	Low	76.5	Confident	28 Å²	28	67.4 Å²	67.4	23%	0.231	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-120.1	29	-170.2	0	0	0	0	0	111.9	Q104 S105 Q106 D110 T111	Q104-A108 PolarHBondContact NE2-O 3.31Å; S105-A108 PolarHBondContact O-N 2.95Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; A108-D110 PolarHBondContact O-N 2.88Å; A108-T111 WeakPolarHBondContact CB-OG1 3.34Å; A108-T111 PolarHBondContact O-N 3.32Å; A108-T111 VanDerWaalsContact O-N 3.12Å; A108-T111 PolarHBondContact O-OG1 3.2Å
109	T	55.7	Low	76.3	Confident	75 Å²	75	67.5 Å²	67.5	46%	0.46	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	-174.1	46.8	0	0	0	0	113.7	R82	R82-T109 PolarHBondContact NH2-O 2.94Å
110	D	57	Low	76.2	Confident	154 Å²	154	67.8 Å²	67.8	82%	0.824	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.1	-175	-60.3	-9.6	0	0	0	113	A108	A108-D110 PolarHBondContact O-N 2.88Å
111	T	60.5	Low	76.2	Confident	78 Å²	78	65.6 Å²	65.6	48%	0.479	34%	0.337	S	S	.	.			trans	-101.5	110.6	175.7	55.9	0	0	0	0	109.1	Q104 A108 D113	Q104-T111 PolarHBondContact NE2-O 3.4Å; A108-T111 WeakPolarHBondContact CB-OG1 3.34Å; A108-T111 PolarHBondContact O-N 3.32Å; A108-T111 VanDerWaalsContact O-N 3.12Å; A108-T111 PolarHBondContact O-OG1 3.2Å; T111-D113 PolarHBondContact O-N 2.91Å
112	N	68.4	Low	76.3	Confident	131 Å²	131	65.6 Å²	65.6	70%	0.701	34%	0.337	S	S	*	.			trans	-68.7	28	169.5	-85.2	-18.9	0	0	0	112.8	W114	N112-W114 VanDerWaalsContact O-CD1 3.31Å; N112-W114 PolarHBondContact O-N 2.9Å
113	D	75.7	Confident	76.5	Confident	65 Å²	65	66 Å²	66	35%	0.348	34%	0.339	S	S	.	.			trans	-88.6	94.8	-175.9	-171.3	-4	0	0	0	110.2	T111 H115 H116 T117	T111-D113 PolarHBondContact O-N 2.91Å; D113-H115 VanDerWaalsContact C-N 3.33Å; D113-H115 WeakPolarHBondContact OD1-CB 3.41Å; D113-H115 IonicContact OD1-CD2 3.98Å; D113-H115 PolarHBondContact OD1-N 3.29Å; D113-H115 VanDerWaalsContact OD1-N 3.09Å; D113-H116 IonicContact OD2-CD2 3.89Å; D113-H116 PolarHBondContact OD2-CD2 3.47Å; D113-H116 IonicContact OD2-CG 2.9Å; D113-H116 IonicContact OD2-NE2 3.97Å; D113-T117 WeakPolarHBondContact O-CG2 3.47Å
114	W	79.5	Confident	76.7	Confident	17 Å²	17	70 Å²	70	6%	0.064	35%	0.353	C	S	.	.			trans	-81.9	-11	177.5	-68.6	90.4	0	0	0	113	V61 K84 K102 Q104 N112 H116 T117	V61-W114 HydrophobicContact CB-CZ2 4.26Å; V61-W114 HydrophobicContact CG1-CH2 4.17Å; V61-W114 HydrophobicContact CG1-CZ2 3.75Å; V61-W114 HydrophobicContact CG2-CH2 4.39Å; V61-W114 HydrophobicContact CG2-CZ2 3.51Å; K84-W114 HydrophobicContact CB-CE3 4.29Å; K84-W114 HydrophobicContact CB-CZ3 4.11Å; K84-W114 HydrophobicContact CD-CD2 3.64Å; K84-W114 HydrophobicContact CD-CE3 3.87Å; K84-W114 HydrophobicContact CD-CG 4.01Å; K84-W114 HydrophobicContact CD-CH2 4.5Å; K84-W114 HydrophobicContact CD-CZ2 4.33Å; K84-W114 HydrophobicContact CD-CZ3 4.29Å; K84-W114 HydrophobicContact CG-CD2 4.09Å; K84-W114 HydrophobicContact CG-CE3 3.95Å; K84-W114 HydrophobicContact CG-CH2 3.89Å; K84-W114 HydrophobicContact CG-CZ2 4.04Å; K84-W114 HydrophobicContact CG-CZ3 3.84Å; K102-W114 HydrophobicContact CB-CE3 4.04Å; K102-W114 HydrophobicContact CB-CZ3 4.3Å; K102-W114 WeakPolarHBondContact CD-O 3.47Å; K102-W114 PolarHBondContact NZ-O 2.95Å; Q104-W114 HydrophobicContact CB-CH2 3.97Å; Q104-W114 HydrophobicContact CB-CZ2 4.44Å; Q104-W114 HydrophobicContact CB-CZ3 4.18Å; N112-W114 VanDerWaalsContact O-CD1 3.31Å; N112-W114 PolarHBondContact O-N 2.9Å; W114-H116 VanDerWaalsContact C-N 3.35Å; W114-T117 HydrophobicContact CE3-CG2 4.24Å; W114-T117 PolarHBondContact O-N 3.39Å; W114-T117 PolarHBondContact O-OG1 3Å
115	H	74.5	Confident	77.2	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.458	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-31.6	-179.4	-68.2	-76.5	0	0	0	111.7	D113	D113-H115 VanDerWaalsContact C-N 3.33Å; D113-H115 WeakPolarHBondContact OD1-CB 3.41Å; D113-H115 IonicContact OD1-CD2 3.98Å; D113-H115 PolarHBondContact OD1-N 3.29Å; D113-H115 VanDerWaalsContact OD1-N 3.09Å
116	H	71	Confident	78.1	Confident	164 Å²	164	70.9 Å²	70.9	76%	0.759	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	10	177.8	-61.2	-44.3	0	0	0	114.1	D113 W114	D113-H116 IonicContact OD2-CD2 3.89Å; D113-H116 PolarHBondContact OD2-CD2 3.47Å; D113-H116 IonicContact OD2-CG 2.9Å; D113-H116 IonicContact OD2-NE2 3.97Å; W114-H116 VanDerWaalsContact C-N 3.35Å
117	T	79.8	Confident	79.2	Confident	13 Å²	13	68 Å²	68	8%	0.08	35%	0.347	C	S	.	.	S	Bend	trans	-80.5	149	174	60.4	0	0	0	0	111.9	K103 Q104 D113 W114	K103-T117 WeakPolarHBondContact O-CB 3.37Å; Q104-T117 HydrophobicContact CB-CG2 4.46Å; Q104-T117 HydrophobicContact CG-CG2 4.31Å; D113-T117 WeakPolarHBondContact O-CG2 3.47Å; W114-T117 HydrophobicContact CE3-CG2 4.24Å; W114-T117 PolarHBondContact O-N 3.39Å; W114-T117 PolarHBondContact O-OG1 3Å
118	S	83.7	Confident	80.5	Confident	64 Å²	64	63 Å²	63	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.4	-178.3	-53.4	0	0	0	0	112.4	K103 Y120	K103-S118 PolarHBondContact N-O 3.4Å; S118-Y120 WeakPolarHBondContact O-CD2 3.28Å
119	N	90.2	Very high	82	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.112	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.9	172.8	-67.8	-23.9	0	0	0	111.6	D49 W51 K102 F193	D49-N119 PolarHBondContact OD1-ND2 2.92Å; W51-N119 HydrophobicContact CD2-CB 4.27Å; W51-N119 HydrophobicContact CE3-CB 3.57Å; W51-N119 HydrophobicContact CH2-CB 4.43Å; W51-N119 HydrophobicContact CZ3-CB 3.67Å; K102-N119 WeakPolarHBondContact CE-OD1 3.42Å; N119-F193 HydrophobicContact CB-CB 3.77Å; N119-F193 HydrophobicContact CB-CG 4.48Å; N119-F193 PolarHBondContact O-N 3Å
120	Y	92.6	Very high	83.7	Confident	13 Å²	13	65.3 Å²	65.3	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154	178.6	-79.1	-98.4	0	0	0	110.1	W51 M101 K103 S118 E191 R192	W51-Y120 WeakPolarHBondContact CH2-O 3.44Å; W51-Y120 VanDerWaalsContact CZ3-O 3.26Å; W51-Y120 WeakPolarHBondContact CZ3-O 3.41Å; M101-Y120 HydrophobicContact CE-CD1 4.21Å; M101-Y120 HydrophobicContact CE-CG 3.86Å; M101-Y120 PolarHBondContact N-O 3.43Å; M101-Y120 WeakPolarHBondContact O-CA 3.26Å; M101-Y120 PolarHBondContact O-N 3.31Å; K103-Y120 HydrophobicContact CB-CD2 3.61Å; K103-Y120 HydrophobicContact CB-CE2 3.63Å; K103-Y120 HydrophobicContact CB-CG 4.42Å; K103-Y120 HydrophobicContact CD-CE2 4.05Å; K103-Y120 HydrophobicContact CG-CE2 4.47Å; K103-Y120 PolarHBondContact NZ-OH 3.43Å; S118-Y120 WeakPolarHBondContact O-CD2 3.28Å; Y120-E191 CarbonylContact C-O 3.47Å; Y120-E191 WeakPolarHBondContact CA-O 3.41Å; Y120-E191 WeakPolarHBondContact CB-O 3.32Å; Y120-E191 VanDerWaalsContact CD1-C 3.41Å; Y120-E191 WeakPolarHBondContact CD1-O 3.43Å; Y120-R192 HydrophobicContact CD1-CG 4.16Å; Y120-R192 HydrophobicContact CE1-CB 4.5Å; Y120-R192 HydrophobicContact CE1-CG 3.56Å; Y120-R192 HydrophobicContact CE2-CG 4.25Å; Y120-R192 PolarHBondContact OH-NE 3.04Å
121	V	93.6	Very high	85.5	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.6	167.6	178.6	0	0	0	0	107.3	W51 F90 C98 F99 K123 I190 E191 F193	W51-V121 HydrophobicContact CH2-CG2 4.17Å; F90-V121 HydrophobicContact CE1-CG1 4.19Å; F90-V121 HydrophobicContact CE1-CG2 4.37Å; F90-V121 HydrophobicContact CZ-CG1 4.47Å; F90-V121 HydrophobicContact CZ-CG2 4.28Å; C98-V121 HydrophobicContact CB-CG1 3.84Å; F99-V121 WeakPolarHBondContact O-CA 3.26Å; V121-K123 HydrophobicContact CG1-CG 4.08Å; V121-I190 WeakPolarHBondContact O-CA 3.13Å; V121-E191 HydrophobicContact CB-CG 4.33Å; V121-E191 PolarHBondContact N-O 3.07Å; V121-E191 PolarHBondContact O-N 2.98Å; V121-E191 VanDerWaalsContact O-N 3.12Å; V121-F193 HydrophobicContact CG2-CB 4.34Å; V121-F193 HydrophobicContact CG2-CD2 3.91Å
122	A	95.4	Very high	87.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.2	168.9	0	0	0	0	0	108.9	M85 C98 F99 M101 F188 H189 I190	M85-A122 HydrophobicContact SD-CB 3.72Å; C98-A122 CarbonylContact C-O 3.51Å; C98-A122 WeakPolarHBondContact CA-O 3.24Å; F99-A122 HydrophobicContact CB-CB 4.31Å; F99-A122 PolarHBondContact N-O 3.41Å; F99-A122 PolarHBondContact O-N 2.91Å; M101-A122 HydrophobicContact CB-CB 4.43Å; M101-A122 HydrophobicContact SD-CB 4.32Å; A122-F188 HydrophobicContact CB-CB 4.34Å; A122-F188 HydrophobicContact CB-CD1 4.12Å; A122-H189 CarbonylContact C-O 3.56Å; A122-H189 VanDerWaalsContact CA-O 3.26Å; A122-H189 WeakPolarHBondContact CA-O 3.32Å; A122-I190 HydrophobicContact CB-CG2 4.15Å
123	K	95.2	Very high	88.3	Confident	10 Å²	10	59.6 Å²	59.6	4%	0.043	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.7	-179.5	-54.5	179	-178	164.9	0	110.5	R96 E97 V121 F188 H189 E191 D245	R96-K123 HydrophobicContact CB-CB 4.49Å; E97-K123 CarbonylContact O-C 3.51Å; E97-K123 VanDerWaalsContact O-CA 3.25Å; E97-K123 WeakPolarHBondContact O-CA 3.19Å; V121-K123 HydrophobicContact CG1-CG 4.08Å; K123-F188 CarbonylContact O-C 3.5Å; K123-F188 WeakPolarHBondContact O-CA 3.08Å; K123-H189 HydrophobicContact CB-CB 4.27Å; K123-H189 PolarHBondContact N-O 3.38Å; K123-H189 PolarHBondContact O-N 3.5Å; K123-E191 WeakPolarHBondContact CE-OE1 3.09Å; K123-E191 IonicContact NZ-OE1 3.94Å; K123-E191 PolarHBondContact NZ-OE1 3.46Å; K123-E191 IonicContact NZ-OE2 2.74Å; K123-E191 PolarHBondContact NZ-OE2 3.05Å; K123-D245 VanDerWaalsContact NZ-CG 3.3Å; K123-D245 IonicContact NZ-OD1 3.36Å; K123-D245 PolarHBondContact NZ-OD1 3.38Å; K123-D245 IonicContact NZ-OD2 3.49Å; K123-D245 PolarHBondContact NZ-OD2 3.43Å
124	R	94.5	Very high	89.2	Confident	99 Å²	99	57.1 Å²	57.1	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.1	175.9	-173.3	176	64.4	173.2	-1.7	109.7	R96 E97 F99 F188	R96-R124 CarbonylContact C-O 3.59Å; R96-R124 WeakPolarHBondContact CA-O 2.92Å; E97-R124 HydrophobicContact CG-CB 4.24Å; E97-R124 WeakPolarHBondContact CG-O 3.39Å; E97-R124 PolarHBondContact N-O 3.3Å; E97-R124 PolarHBondContact O-N 3.4Å; E97-R124 IonicContact OE1-CZ 3.27Å; E97-R124 IonicContact OE1-NE 2.65Å; E97-R124 PolarHBondContact OE1-NE 2.94Å; E97-R124 IonicContact OE1-NH2 3.09Å; E97-R124 PolarHBondContact OE1-NH2 3.04Å; F99-R124 HydrophobicContact CE2-CB 4.05Å; R124-F188 HydrophobicContact CB-CD1 3.77Å; R124-F188 HydrophobicContact CB-CE1 3.74Å; R124-F188 HydrophobicContact CG-CD1 4.48Å; R124-F188 HydrophobicContact CG-CE1 4.25Å
125	Y	94.2	Very high	90	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141	170.9	-70.4	-78.2	0	0	0	111.2	M95 R96 A127 T129 I133 Y134 D137 H189	M95-Y125 HydrophobicContact CB-CD1 4.27Å; M95-Y125 HydrophobicContact CE-CE1 4.37Å; M95-Y125 WeakPolarHBondContact O-CA 3.43Å; R96-Y125 HydrophobicContact CG-CD1 3.6Å; R96-Y125 HydrophobicContact CG-CE1 3.81Å; R96-Y125 HydrophobicContact CG-CG 4.14Å; Y125-A127 WeakPolarHBondContact CB-O 3.43Å; Y125-T129 VanDerWaalsContact CB-OG1 3.3Å; Y125-T129 WeakPolarHBondContact CB-OG1 3.34Å; Y125-T129 HydrophobicContact CD2-CG2 3.69Å; Y125-T129 HydrophobicContact CE2-CG2 3.87Å; Y125-T129 HydrophobicContact CG-CG2 4.16Å; Y125-I133 HydrophobicContact CE2-CG2 3.99Å; Y125-I133 VanDerWaalsContact OH-CG2 3.29Å; Y125-I133 WeakPolarHBondContact OH-CG2 3.31Å; Y125-Y134 HydrophobicContact CD2-CD1 4.47Å; Y125-Y134 HydrophobicContact CD2-CD2 4.18Å; Y125-Y134 AromaticContact CD2-CE1 3.93Å; Y125-Y134 HydrophobicContact CD2-CE1 3.93Å; Y125-Y134 AromaticContact CD2-CE2 3.58Å; Y125-Y134 HydrophobicContact CD2-CE2 3.58Å; Y125-Y134 AromaticContact CD2-CZ 3.46Å; Y125-Y134 VanDerWaalsContact CD2-CZ 3.46Å; Y125-Y134 HydrophobicContact CE2-CD1 4.27Å; Y125-Y134 HydrophobicContact CE2-CD2 4.1Å; Y125-Y134 HydrophobicContact CE2-CE1 4.16Å; Y125-Y134 AromaticContact CE2-CE2 3.98Å; Y125-Y134 HydrophobicContact CE2-CE2 3.98Å; Y125-Y134 HydrophobicContact CE2-CG 4.26Å; Y125-Y134 PolarHBondContact N-OH 3.4Å; Y125-D137 VanDerWaalsContact OH-CG 3.26Å; Y125-D137 PolarHBondContact OH-OD2 3.45Å; Y125-H189 AromaticContact CE2-CE1 3.96Å
126	I	92	Very high	91	Very high	69 Å²	69	54.8 Å²	54.8	35%	0.354	29%	0.289	S	S	.	.	S	Bend	trans	-72	-38.3	176.7	-59.9	169.4	0	0	0	110.1	M95 E97 M362	M95-I126 PolarHBondContact O-N 2.96Å; E97-I126 HydrophobicContact CB-CG1 4.44Å; E97-I126 HydrophobicContact CG-CG1 4.34Å; I126-M362 HydrophobicContact CD1-CE 3.88Å; I126-M362 HydrophobicContact CG2-CE 3.81Å
127	A	90.8	Very high	92.2	Very high	56 Å²	56	48.2 Å²	48.2	46%	0.463	26%	0.259	S	S	.	.	S	Bend	trans	-86.2	149.1	175.5	0	0	0	0	0	111.6	Y125 T129	Y125-A127 WeakPolarHBondContact CB-O 3.43Å; A127-T129 PolarHBondContact O-N 3.18Å; A127-T129 VanDerWaalsContact O-N 3.16Å; A127-T129 PolarHBondContact O-OG1 2.84Å
128	P	88.7	Confident	93	Very high	139 Å²	139	47.6 Å²	47.6	90%	0.903	26%	0.256	S	S	*	.			trans	-56.2	120.7	170.5	-21.9	32.9	0	0	0	110.4
129	T	89.8	Confident	93.5	Very high	47 Å²	47	48.3 Å²	48.3	29%	0.288	25%	0.248	S	C	.	.			trans	-131.9	137.9	-169.7	-57.3	0	0	0	0	109.8	Y125 A127 I133 Y134	Y125-T129 VanDerWaalsContact CB-OG1 3.3Å; Y125-T129 WeakPolarHBondContact CB-OG1 3.34Å; Y125-T129 HydrophobicContact CD2-CG2 3.69Å; Y125-T129 HydrophobicContact CE2-CG2 3.87Å; Y125-T129 HydrophobicContact CG-CG2 4.16Å; A127-T129 PolarHBondContact O-N 3.18Å; A127-T129 VanDerWaalsContact O-N 3.16Å; A127-T129 PolarHBondContact O-OG1 2.84Å; T129-I133 HydrophobicContact CG2-CB 3.72Å; T129-I133 HydrophobicContact CG2-CD1 3.43Å; T129-I133 VanDerWaalsContact CG2-CD1 3.43Å; T129-I133 HydrophobicContact CG2-CG1 4.12Å; T129-I133 HydrophobicContact CG2-CG2 3.84Å; T129-Y134 HydrophobicContact CG2-CE2 4.49Å
130	D	91.6	Very high	93.8	Very high	104 Å²	104	47.5 Å²	47.5	56%	0.556	24%	0.244	S	C	*	.			trans	-61.2	140.7	175.3	-173.3	-0.4	0	0	0	110.3	Q132 I133	D130-Q132 PolarHBondContact O-N 3.18Å; D130-Q132 VanDerWaalsContact O-N 3.11Å; D130-Q132 PolarHBondContact OD1-N 2.89Å; D130-I133 HydrophobicContact CB-CD1 4.44Å; D130-I133 WeakPolarHBondContact O-CB 3.49Å; D130-I133 PolarHBondContact O-N 3.14Å; D130-I133 VanDerWaalsContact O-N 3.14Å
131	K	93.1	Very high	94	Very high	116 Å²	116	47 Å²	47	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-34.9	176.5	70.5	179.9	-179.9	-179.6	0	111.3	I133 Y134 F135 F187	K131-I133 PolarHBondContact O-N 3.38Å; K131-Y134 WeakPolarHBondContact O-CB 3.17Å; K131-Y134 PolarHBondContact O-N 2.73Å; K131-F135 VanDerWaalsContact O-CD2 3.3Å; K131-F135 WeakPolarHBondContact O-CD2 3.25Å; K131-F135 PolarHBondContact O-N 2.96Å; K131-F187 HydrophobicContact CB-CD1 4.43Å; K131-F187 HydrophobicContact CB-CD2 3.9Å; K131-F187 HydrophobicContact CB-CE1 4.19Å; K131-F187 HydrophobicContact CB-CE2 3.62Å; K131-F187 HydrophobicContact CB-CG 4.3Å; K131-F187 HydrophobicContact CB-CZ 3.78Å; K131-F187 HydrophobicContact CD-CE2 4.35Å; K131-F187 HydrophobicContact CD-CZ 3.98Å
132	Q	94.2	Very high	94.1	Very high	72 Å²	72	47.5 Å²	47.5	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-58.1	-35.8	-176.2	-174.5	50.4	45.3	0	0	112.2	D130 Y134 F135 D136	D130-Q132 PolarHBondContact O-N 3.18Å; D130-Q132 VanDerWaalsContact O-N 3.11Å; D130-Q132 PolarHBondContact OD1-N 2.89Å; Q132-Y134 VanDerWaalsContact C-N 3.32Å; Q132-Y134 PolarHBondContact O-N 3.25Å; Q132-F135 PolarHBondContact O-N 3.18Å; Q132-F135 VanDerWaalsContact O-N 3.1Å; Q132-D136 WeakPolarHBondContact CG-OD2 3.26Å; Q132-D136 PolarHBondContact NE2-OD1 3.13Å; Q132-D136 PolarHBondContact NE2-OD2 3.43Å; Q132-D136 PolarHBondContact O-N 2.88Å
133	I	93.6	Very high	94	Very high	56 Å²	56	48 Å²	48	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-40.2	177.2	-64.6	168.1	0	0	0	110.9	Y125 T129 D130 K131 F135 D136 D137	Y125-I133 HydrophobicContact CE2-CG2 3.99Å; Y125-I133 VanDerWaalsContact OH-CG2 3.29Å; Y125-I133 WeakPolarHBondContact OH-CG2 3.31Å; T129-I133 HydrophobicContact CG2-CB 3.72Å; T129-I133 HydrophobicContact CG2-CD1 3.43Å; T129-I133 VanDerWaalsContact CG2-CD1 3.43Å; T129-I133 HydrophobicContact CG2-CG1 4.12Å; T129-I133 HydrophobicContact CG2-CG2 3.84Å; D130-I133 HydrophobicContact CB-CD1 4.44Å; D130-I133 WeakPolarHBondContact O-CB 3.49Å; D130-I133 PolarHBondContact O-N 3.14Å; D130-I133 VanDerWaalsContact O-N 3.14Å; K131-I133 PolarHBondContact O-N 3.38Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.35Å; I133-D136 PolarHBondContact O-N 2.93Å; I133-D137 PolarHBondContact O-N 3.2Å
134	Y	95.7	Very high	94	Very high	13 Å²	13	47.6 Å²	47.6	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-41.3	175.1	-74	-98.6	0	0	0	112.2	Y125 T129 K131 Q132 V138 F187 H189	Y125-Y134 HydrophobicContact CD2-CD1 4.47Å; Y125-Y134 HydrophobicContact CD2-CD2 4.18Å; Y125-Y134 AromaticContact CD2-CE1 3.93Å; Y125-Y134 HydrophobicContact CD2-CE1 3.93Å; Y125-Y134 AromaticContact CD2-CE2 3.58Å; Y125-Y134 HydrophobicContact CD2-CE2 3.58Å; Y125-Y134 AromaticContact CD2-CZ 3.46Å; Y125-Y134 VanDerWaalsContact CD2-CZ 3.46Å; Y125-Y134 HydrophobicContact CE2-CD1 4.27Å; Y125-Y134 HydrophobicContact CE2-CD2 4.1Å; Y125-Y134 HydrophobicContact CE2-CE1 4.16Å; Y125-Y134 AromaticContact CE2-CE2 3.98Å; Y125-Y134 HydrophobicContact CE2-CE2 3.98Å; Y125-Y134 HydrophobicContact CE2-CG 4.26Å; Y125-Y134 PolarHBondContact N-OH 3.4Å; T129-Y134 HydrophobicContact CG2-CE2 4.49Å; K131-Y134 WeakPolarHBondContact O-CB 3.17Å; K131-Y134 PolarHBondContact O-N 2.73Å; Q132-Y134 VanDerWaalsContact C-N 3.32Å; Q132-Y134 PolarHBondContact O-N 3.25Å; Y134-V138 WeakPolarHBondContact O-CG2 3.37Å; Y134-V138 PolarHBondContact O-N 2.76Å; Y134-F187 HydrophobicContact CD1-CB 4.03Å; Y134-F187 HydrophobicContact CD2-CB 3.91Å; Y134-F187 HydrophobicContact CE1-CB 3.96Å; Y134-F187 WeakPolarHBondContact CE1-O 3.47Å; Y134-F187 HydrophobicContact CE2-CB 3.86Å; Y134-F187 HydrophobicContact CG-CB 3.98Å; Y134-F187 VanDerWaalsContact CZ-O 3.23Å; Y134-F187 PolarHBondContact OH-O 2.88Å; Y134-H189 VanDerWaalsContact CA-NE2 3.34Å; Y134-H189 WeakPolarHBondContact CA-NE2 3.41Å; Y134-H189 AromaticContact CD1-CD2 3.91Å; Y134-H189 AromaticContact CD1-CE1 3.63Å; Y134-H189 AromaticContact CD1-ND1 3.88Å; Y134-H189 AromaticContact CD1-NE2 3.65Å; Y134-H189 PolarHBondContact O-NE2 3.12Å
135	F	96.5	Very high	94.1	Very high	29 Å²	29	43.3 Å²	43.3	13%	0.127	23%	0.229	C	C	.	.	H	α-helix	trans	-70.1	-37.6	178.3	-75.9	-101.1	0	0	0	111.4	H67 W76 K131 Q132 I133 V138 R139 V167 F187	H67-F135 HydrophobicContact CB-CE1 3.87Å; H67-F135 HydrophobicContact CB-CZ 4.3Å; H67-F135 AromaticContact CD2-CZ 4Å; H67-F135 AromaticContact CG-CE1 3.79Å; H67-F135 AromaticContact CG-CZ 3.83Å; H67-F135 AromaticContact ND1-CE1 3.76Å; H67-F135 AromaticContact ND1-CZ 3.86Å; W76-F135 HydrophobicContact CD2-CD1 4.08Å; W76-F135 HydrophobicContact CD2-CE1 4.48Å; W76-F135 AromaticContact CE2-CD1 3.88Å; W76-F135 AromaticContact CE3-CD1 3.95Å; W76-F135 HydrophobicContact CE3-CD1 3.95Å; W76-F135 HydrophobicContact CE3-CE1 4.19Å; W76-F135 HydrophobicContact CH2-CB 3.84Å; W76-F135 AromaticContact CH2-CD1 3.4Å; W76-F135 HydrophobicContact CH2-CD1 3.4Å; W76-F135 VanDerWaalsContact CH2-CD1 3.4Å; W76-F135 HydrophobicContact CH2-CE1 4.33Å; W76-F135 AromaticContact CH2-CG 3.99Å; W76-F135 HydrophobicContact CH2-CG 3.99Å; W76-F135 WeakPolarHBondContact CH2-O 3.38Å; W76-F135 HydrophobicContact CZ2-CB 3.78Å; W76-F135 AromaticContact CZ2-CD1 3.55Å; W76-F135 HydrophobicContact CZ2-CD1 3.55Å; W76-F135 HydrophobicContact CZ2-CG 4.14Å; W76-F135 WeakPolarHBondContact CZ2-O 3.45Å; W76-F135 AromaticContact CZ3-CD1 3.62Å; W76-F135 HydrophobicContact CZ3-CD1 3.62Å; W76-F135 HydrophobicContact CZ3-CE1 4.11Å; K131-F135 VanDerWaalsContact O-CD2 3.3Å; K131-F135 WeakPolarHBondContact O-CD2 3.25Å; K131-F135 PolarHBondContact O-N 2.96Å; Q132-F135 PolarHBondContact O-N 3.18Å; Q132-F135 VanDerWaalsContact O-N 3.1Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.35Å; F135-V138 PolarHBondContact O-N 2.86Å; F135-R139 WeakPolarHBondContact O-CG 3.39Å; F135-R139 PolarHBondContact O-N 3.41Å; F135-V167 HydrophobicContact CD1-CG2 4.42Å; F135-V167 HydrophobicContact CD2-CG2 4.27Å; F135-V167 HydrophobicContact CE2-CG1 4.21Å; F135-V167 HydrophobicContact CE2-CG2 4.46Å; F135-V167 HydrophobicContact CG-CG2 4.24Å; F135-V167 HydrophobicContact CZ-CG1 4.46Å; F135-F187 HydrophobicContact CE2-CD1 4.48Å; F135-F187 HydrophobicContact CE2-CE1 4.24Å
136	D	95.1	Very high	94	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-37.8	178.9	-69.9	-32.6	0	0	0	112.5	Q132 I133 V138 R139 L140	Q132-D136 WeakPolarHBondContact CG-OD2 3.26Å; Q132-D136 PolarHBondContact NE2-OD1 3.13Å; Q132-D136 PolarHBondContact NE2-OD2 3.43Å; Q132-D136 PolarHBondContact O-N 2.88Å; I133-D136 PolarHBondContact O-N 2.93Å; D136-V138 VanDerWaalsContact C-N 3.33Å; D136-V138 PolarHBondContact O-N 3.39Å; D136-R139 WeakPolarHBondContact O-CB 3.15Å; D136-R139 PolarHBondContact O-N 2.87Å; D136-R139 VanDerWaalsContact O-N 3.15Å; D136-R139 IonicContact OD1-CZ 3.37Å; D136-R139 IonicContact OD1-NE 3.63Å; D136-R139 IonicContact OD1-NH1 3.59Å; D136-R139 PolarHBondContact OD1-NH1 2.92Å; D136-L140 WeakPolarHBondContact O-CB 3.39Å; D136-L140 PolarHBondContact O-N 3.26Å
137	D	95.4	Very high	94.2	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-42.4	170.8	-91.3	18.2	0	0	0	112.3	Y125 I133 L140 Q141 H189 N257	Y125-D137 VanDerWaalsContact OH-CG 3.26Å; Y125-D137 PolarHBondContact OH-OD2 3.45Å; I133-D137 PolarHBondContact O-N 3.2Å; D137-L140 WeakPolarHBondContact O-CB 3.49Å; D137-L140 PolarHBondContact O-N 3.32Å; D137-Q141 PolarHBondContact O-N 3.42Å; D137-H189 WeakPolarHBondContact CB-NE2 3.38Å; D137-H189 IonicContact OD2-CE1 2.68Å; D137-H189 PolarHBondContact OD2-CE1 3.34Å; D137-H189 VanDerWaalsContact OD2-CE1 3.29Å; D137-H189 IonicContact OD2-NE2 2.69Å; D137-N257 PolarHBondContact OD1-ND2 3.37Å
138	V	96.4	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.7	168.9	0	0	0	0	111.1	W76 Y134 F135 D136 M142 L165 V167	W76-V138 HydrophobicContact CH2-CB 3.89Å; W76-V138 HydrophobicContact CH2-CG1 3.72Å; W76-V138 HydrophobicContact CZ3-CB 4.36Å; W76-V138 HydrophobicContact CZ3-CG1 3.82Å; Y134-V138 WeakPolarHBondContact O-CG2 3.37Å; Y134-V138 PolarHBondContact O-N 2.76Å; F135-V138 PolarHBondContact O-N 2.86Å; D136-V138 VanDerWaalsContact C-N 3.33Å; D136-V138 PolarHBondContact O-N 3.39Å; V138-M142 HydrophobicContact CG1-CG 4.25Å; V138-M142 VanDerWaalsContact O-CB 3.29Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 WeakPolarHBondContact O-CG 3.43Å; V138-M142 PolarHBondContact O-N 3Å; V138-L165 HydrophobicContact CG2-CB 4.14Å; V138-L165 HydrophobicContact CG2-CD2 3.79Å; V138-L165 HydrophobicContact CG2-CG 3.83Å; V138-V167 HydrophobicContact CB-CG2 4.37Å; V138-V167 HydrophobicContact CG2-CG2 3.64Å
139	R	95.2	Very high	94.5	Very high	78 Å²	78	33 Å²	33	29%	0.294	16%	0.159	S	C	.	.	H	α-helix	trans	-60.5	-50	173.5	-69	171.8	-170.8	164.8	-0.8	110.5	Y69 W76 F135 D136 Q141 M142 E143	Y69-R139 HydrophobicContact CD1-CB 4.2Å; Y69-R139 HydrophobicContact CD1-CG 3.91Å; Y69-R139 HydrophobicContact CD2-CG 4.23Å; Y69-R139 HydrophobicContact CE1-CB 3.95Å; Y69-R139 HydrophobicContact CE1-CG 3.74Å; Y69-R139 HydrophobicContact CE2-CG 4.11Å; Y69-R139 HydrophobicContact CG-CG 4.12Å; W76-R139 HydrophobicContact CH2-CG 4.39Å; W76-R139 HydrophobicContact CZ2-CG 3.66Å; F135-R139 WeakPolarHBondContact O-CG 3.39Å; F135-R139 PolarHBondContact O-N 3.41Å; D136-R139 WeakPolarHBondContact O-CB 3.15Å; D136-R139 PolarHBondContact O-N 2.87Å; D136-R139 VanDerWaalsContact O-N 3.15Å; D136-R139 IonicContact OD1-CZ 3.37Å; D136-R139 IonicContact OD1-NE 3.63Å; D136-R139 IonicContact OD1-NH1 3.59Å; D136-R139 PolarHBondContact OD1-NH1 2.92Å; R139-Q141 PolarHBondContact O-N 3.07Å; R139-M142 PolarHBondContact O-N 3.43Å; R139-E143 WeakPolarHBondContact O-CB 3.34Å; R139-E143 VanDerWaalsContact O-CG 3.25Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 2.89Å
140	L	95.7	Very high	94.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-52.3	-57	178.5	-171.8	168.2	0	0	0	110.9	D136 D137 M142 E143 A144 P246 I248 Y256	D136-L140 WeakPolarHBondContact O-CB 3.39Å; D136-L140 PolarHBondContact O-N 3.26Å; D137-L140 WeakPolarHBondContact O-CB 3.49Å; D137-L140 PolarHBondContact O-N 3.32Å; L140-M142 VanDerWaalsContact C-N 3.34Å; L140-M142 PolarHBondContact O-N 3.14Å; L140-E143 PolarHBondContact O-N 3.44Å; L140-E143 VanDerWaalsContact O-N 3.15Å; L140-A144 PolarHBondContact O-N 3.15Å; L140-P246 HydrophobicContact CD2-CG 4.01Å; L140-P246 WeakPolarHBondContact CD2-O 3.3Å; L140-I248 HydrophobicContact CD2-CD1 4.13Å; L140-I248 HydrophobicContact CD2-CG1 3.89Å; L140-I248 HydrophobicContact CG-CB 4.37Å; L140-I248 HydrophobicContact CG-CD1 4.08Å; L140-I248 HydrophobicContact CG-CG1 4.03Å; L140-Y256 HydrophobicContact CB-CD1 3.82Å; L140-Y256 HydrophobicContact CB-CE1 4.46Å; L140-Y256 HydrophobicContact CD1-CD1 4.06Å; L140-Y256 HydrophobicContact CD1-CG 4.36Å; L140-Y256 HydrophobicContact CG-CD1 3.65Å; L140-Y256 HydrophobicContact CG-CE1 4.44Å; L140-Y256 HydrophobicContact CG-CG 4.37Å
141	Q	96.6	Very high	94.7	Very high	3 Å²	3	26 Å²	26	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-37.8	-175.6	-177	159.9	-29.1	0	0	112.5	D137 R139 E143 A144 K145 I162 F163 L165 T244 P246	D137-Q141 PolarHBondContact O-N 3.42Å; R139-Q141 PolarHBondContact O-N 3.07Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 2.87Å; Q141-A144 PolarHBondContact O-N 2.93Å; Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 PolarHBondContact O-N 3.37Å; Q141-I162 HydrophobicContact CG-CG2 3.64Å; Q141-F163 PolarHBondContact NE2-O 2.95Å; Q141-L165 HydrophobicContact CB-CB 4.27Å; Q141-L165 HydrophobicContact CB-CD2 4.38Å; Q141-L165 HydrophobicContact CG-CB 4.21Å; Q141-T244 PolarHBondContact NE2-OG1 3.4Å; Q141-P246 HydrophobicContact CB-CG 4.47Å; Q141-P246 HydrophobicContact CG-CG 4.33Å
142	M	95.9	Very high	94.8	Very high	20 Å²	20	21.8 Å²	21.8	10%	0.099	10%	0.103	C	C	.	.	H	α-helix	trans	-70.6	-28.7	177	-69.3	-55.6	-56.3	0	0	112.8	Y69 A71 V138 R139 L140 K145 L146 Q164	Y69-M142 HydrophobicContact CD1-CB 3.94Å; Y69-M142 HydrophobicContact CD1-CG 4.46Å; A71-M142 HydrophobicContact CB-CB 4.22Å; A71-M142 WeakPolarHBondContact CB-O 3.36Å; V138-M142 HydrophobicContact CG1-CG 4.25Å; V138-M142 VanDerWaalsContact O-CB 3.29Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 WeakPolarHBondContact O-CG 3.43Å; V138-M142 PolarHBondContact O-N 3Å; R139-M142 PolarHBondContact O-N 3.43Å; L140-M142 VanDerWaalsContact C-N 3.34Å; L140-M142 PolarHBondContact O-N 3.14Å; M142-K145 HydrophobicContact CE-CD 4.08Å; M142-K145 WeakPolarHBondContact O-CB 3.39Å; M142-K145 HydrophobicContact SD-CD 4.48Å; M142-L146 PolarHBondContact O-N 2.99Å; M142-Q164 HydrophobicContact CE-CG 4.18Å; M142-Q164 HydrophobicContact SD-CB 4.1Å; M142-Q164 HydrophobicContact SD-CG 4.16Å
143	E	94	Very high	94.7	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-76.4	-41	173.4	-71	-175.8	-164.2	0	0	111.4	Y69 A71 K74 R139 L140 Q141 K145 L146 W147 Y256 L578	Y69-E143 HydrophobicContact CE1-CG 4.37Å; Y69-E143 PolarHBondContact OH-OE1 3.49Å; A71-E143 HydrophobicContact CB-CG 3.78Å; K74-E143 IonicContact NZ-OE1 3.29Å; K74-E143 PolarHBondContact NZ-OE1 3.06Å; K74-E143 IonicContact NZ-OE2 3.01Å; K74-E143 PolarHBondContact NZ-OE2 2.74Å; R139-E143 WeakPolarHBondContact O-CB 3.34Å; R139-E143 VanDerWaalsContact O-CG 3.25Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 2.89Å; L140-E143 PolarHBondContact O-N 3.44Å; L140-E143 VanDerWaalsContact O-N 3.15Å; Q141-E143 VanDerWaalsContact C-N 3.32Å; Q141-E143 PolarHBondContact O-N 2.87Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.08Å; E143-L146 WeakPolarHBondContact O-CB 3.48Å; E143-L146 PolarHBondContact O-N 3.17Å; E143-L146 VanDerWaalsContact O-N 3.07Å; E143-W147 PolarHBondContact O-N 2.94Å; E143-Y256 PolarHBondContact OE2-OH 3.43Å; E143-Y256 VanDerWaalsContact OE2-OH 3.1Å; E143-L578 HydrophobicContact CB-CD2 3.67Å; E143-L578 HydrophobicContact CG-CD2 3.58Å
144	A	96.1	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-38.2	169.5	0	0	0	0	0	111.8	L140 Q141 L146 W147 G148 I162 V233 P246 I248	L140-A144 PolarHBondContact O-N 3.15Å; Q141-A144 PolarHBondContact O-N 2.93Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.28Å; A144-W147 WeakPolarHBondContact O-CA 3.46Å; A144-W147 VanDerWaalsContact O-CB 3.31Å; A144-W147 WeakPolarHBondContact O-CB 3.47Å; A144-W147 PolarHBondContact O-N 3.48Å; A144-G148 PolarHBondContact O-N 3.46Å; A144-I162 VanDerWaalsContact C-CD1 3.41Å; A144-I162 HydrophobicContact CB-CD1 3.82Å; A144-I162 VanDerWaalsContact O-CD1 3.25Å; A144-I162 WeakPolarHBondContact O-CD1 3.41Å; A144-V233 HydrophobicContact CB-CG1 4.06Å; A144-P246 HydrophobicContact CB-CB 4.12Å; A144-P246 HydrophobicContact CB-CG 3.51Å; A144-I248 HydrophobicContact CB-CD1 4.31Å
145	K	95.3	Very high	94.4	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-57.7	-39.4	173.6	-174.1	-179.8	-178.1	67	0	112.6	Q141 M142 E143 W147 G148 E149 D161 I162 Q164 S562	Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 PolarHBondContact O-N 3.37Å; M142-K145 HydrophobicContact CE-CD 4.08Å; M142-K145 WeakPolarHBondContact O-CB 3.39Å; M142-K145 HydrophobicContact SD-CD 4.48Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.08Å; K145-W147 VanDerWaalsContact C-N 3.31Å; K145-W147 PolarHBondContact O-N 2.99Å; K145-G148 PolarHBondContact O-N 3.3Å; K145-E149 PolarHBondContact O-N 3.19Å; K145-D161 VanDerWaalsContact NZ-CG 3.33Å; K145-D161 IonicContact NZ-OD1 3.86Å; K145-D161 PolarHBondContact NZ-OD1 3.03Å; K145-D161 IonicContact NZ-OD2 3.66Å; K145-D161 PolarHBondContact NZ-OD2 3.48Å; K145-I162 HydrophobicContact CB-CB 4.11Å; K145-I162 HydrophobicContact CB-CG2 4.43Å; K145-I162 WeakPolarHBondContact CD-O 3.48Å; K145-I162 HydrophobicContact CG-CB 4.43Å; K145-I162 PolarHBondContact NZ-O 2.87Å; K145-Q164 HydrophobicContact CD-CG 4.04Å; K145-S562 PolarHBondContact NZ-OG 3.43Å
146	L	93.5	Very high	94.3	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-38.2	174.9	-67.2	-176	0	0	0	111.7	A71 I72 M142 E143 A144 G148 E149 A150 L578 M582	A71-L146 HydrophobicContact CB-CD1 3.46Å; A71-L146 VanDerWaalsContact CB-CD1 3.46Å; A71-L146 HydrophobicContact CB-CG 3.93Å; I72-L146 HydrophobicContact CD1-CD2 3.97Å; I72-L146 HydrophobicContact CG1-CD1 3.94Å; I72-L146 HydrophobicContact CG1-CD2 3.69Å; I72-L146 HydrophobicContact CG1-CG 4.48Å; M142-L146 PolarHBondContact O-N 2.99Å; E143-L146 WeakPolarHBondContact O-CB 3.48Å; E143-L146 PolarHBondContact O-N 3.17Å; E143-L146 VanDerWaalsContact O-N 3.07Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.28Å; L146-G148 VanDerWaalsContact C-N 3.33Å; L146-G148 PolarHBondContact O-N 3.07Å; L146-E149 WeakPolarHBondContact O-CB 3.46Å; L146-E149 PolarHBondContact O-N 3.47Å; L146-E149 VanDerWaalsContact O-N 3.14Å; L146-A150 PolarHBondContact O-N 3.45Å; L146-L578 HydrophobicContact CD1-CD2 4.08Å; L146-M582 VanDerWaalsContact C-CE 3.43Å; L146-M582 HydrophobicContact CB-CE 3.84Å; L146-M582 HydrophobicContact CB-SD 3.95Å; L146-M582 WeakPolarHBondContact O-CE 3.1Å
147	W	94.5	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-40.8	172.5	-74.4	108.3	0	0	0	112.4	E143 A144 K145 E149 A150 F151 F219 T223 R226 L231 V233 L578 M582	E143-W147 PolarHBondContact O-N 2.94Å; A144-W147 WeakPolarHBondContact O-CA 3.46Å; A144-W147 VanDerWaalsContact O-CB 3.31Å; A144-W147 WeakPolarHBondContact O-CB 3.47Å; A144-W147 PolarHBondContact O-N 3.48Å; K145-W147 VanDerWaalsContact C-N 3.31Å; K145-W147 PolarHBondContact O-N 2.99Å; W147-E149 VanDerWaalsContact C-N 3.3Å; W147-E149 PolarHBondContact O-N 3.27Å; W147-A150 PolarHBondContact O-N 2.93Å; W147-A150 VanDerWaalsContact O-N 3.15Å; W147-F151 PolarHBondContact O-N 3.25Å; W147-F219 HydrophobicContact CB-CE2 4.2Å; W147-F219 HydrophobicContact CB-CZ 4.02Å; W147-T223 HydrophobicContact CB-CG2 3.86Å; W147-T223 HydrophobicContact CD2-CG2 4.12Å; W147-T223 HydrophobicContact CE3-CG2 4.07Å; W147-T223 HydrophobicContact CG-CG2 4.06Å; W147-R226 HydrophobicContact CZ3-CB 3.92Å; W147-R226 HydrophobicContact CZ3-CG 3.93Å; W147-L231 HydrophobicContact CZ2-CD2 4.21Å; W147-V233 HydrophobicContact CB-CG2 4.33Å; W147-V233 HydrophobicContact CG-CG2 4.12Å; W147-L578 HydrophobicContact CZ2-CD1 4.21Å; W147-M582 HydrophobicContact CD2-CG 4.2Å; W147-M582 HydrophobicContact CE3-CG 4.07Å; W147-M582 HydrophobicContact CH2-CG 3.77Å; W147-M582 HydrophobicContact CZ2-CG 3.93Å; W147-M582 HydrophobicContact CZ3-CB 4.49Å; W147-M582 HydrophobicContact CZ3-CG 3.84Å
148	G	95	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-42.1	171.6	0	0	0	0	0	112.6	A144 K145 L146 F151 N152	A144-G148 PolarHBondContact O-N 3.46Å; K145-G148 PolarHBondContact O-N 3.3Å; L146-G148 VanDerWaalsContact C-N 3.33Å; L146-G148 PolarHBondContact O-N 3.07Å; G148-F151 PolarHBondContact O-N 3.43Å; G148-N152 WeakPolarHBondContact O-CB 3.24Å; G148-N152 PolarHBondContact O-N 3.1Å; G148-N152 PolarHBondContact O-ND2 2.99Å
149	E	91.9	Very high	94.1	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-40.6	173.8	-66	-173.4	-171.9	0	0	113.1	K145 L146 W147 N152 R153 R557	K145-E149 PolarHBondContact O-N 3.19Å; L146-E149 WeakPolarHBondContact O-CB 3.46Å; L146-E149 PolarHBondContact O-N 3.47Å; L146-E149 VanDerWaalsContact O-N 3.14Å; W147-E149 VanDerWaalsContact C-N 3.3Å; W147-E149 PolarHBondContact O-N 3.27Å; E149-N152 PolarHBondContact O-N 3.34Å; E149-R153 WeakPolarHBondContact O-CG 3.49Å; E149-R153 PolarHBondContact O-N 3.24Å; E149-R153 IonicContact OE2-NH2 2.84Å; E149-R557 IonicContact OE2-NH2 3.74Å
150	A	91.5	Very high	94.2	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175.9	0	0	0	0	0	112.2	L146 W147 N152 R153 H154 F222 M582	L146-A150 PolarHBondContact O-N 3.45Å; W147-A150 PolarHBondContact O-N 2.93Å; W147-A150 VanDerWaalsContact O-N 3.15Å; A150-N152 VanDerWaalsContact C-N 3.3Å; A150-N152 PolarHBondContact O-N 3.27Å; A150-R153 WeakPolarHBondContact O-CB 3.33Å; A150-R153 PolarHBondContact O-N 2.8Å; A150-H154 PolarHBondContact O-ND1 3.07Å; A150-F222 HydrophobicContact CB-CE1 4.31Å; A150-F222 HydrophobicContact CB-CZ 4.48Å; A150-M582 HydrophobicContact CB-CE 3.46Å; A150-M582 VanDerWaalsContact CB-CE 3.46Å
151	F	94.3	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-47.1	173.7	-178.1	-102.5	0	0	0	110.8	W147 G148 R153 H154 P156 V160 T215 T218 F219 F222 L278 L282	W147-F151 PolarHBondContact O-N 3.25Å; G148-F151 PolarHBondContact O-N 3.43Å; F151-R153 PolarHBondContact O-N 3.42Å; F151-H154 WeakPolarHBondContact O-CB 3.47Å; F151-H154 PolarHBondContact O-N 3.28Å; F151-H154 VanDerWaalsContact O-N 3.08Å; F151-P156 HydrophobicContact CD1-CB 4.4Å; F151-P156 HydrophobicContact CD1-CG 3.72Å; F151-P156 HydrophobicContact CE1-CB 3.66Å; F151-P156 HydrophobicContact CE1-CG 3.41Å; F151-P156 VanDerWaalsContact CE1-CG 3.41Å; F151-P156 HydrophobicContact CZ-CB 3.87Å; F151-P156 HydrophobicContact CZ-CG 4.1Å; F151-P156 WeakPolarHBondContact O-CD 3.22Å; F151-V160 HydrophobicContact CD1-CG1 4.23Å; F151-V160 HydrophobicContact CD1-CG2 3.77Å; F151-V160 HydrophobicContact CE1-CG1 4.04Å; F151-V160 HydrophobicContact CE1-CG2 4.43Å; F151-V160 HydrophobicContact CG-CG2 4.49Å; F151-T215 HydrophobicContact CE1-CG2 4.2Å; F151-T215 HydrophobicContact CZ-CG2 4.42Å; F151-T218 HydrophobicContact CE2-CG2 4.26Å; F151-F219 HydrophobicContact CB-CD2 3.82Å; F151-F219 HydrophobicContact CB-CE2 4.03Å; F151-F219 HydrophobicContact CD1-CD2 4.29Å; F151-F219 HydrophobicContact CD2-CD2 4.02Å; F151-F219 HydrophobicContact CE2-CB 4.43Å; F151-F219 AromaticContact CG-CD2 3.8Å; F151-F219 HydrophobicContact CG-CD2 3.8Å; F151-F219 HydrophobicContact CG-CE2 4.5Å; F151-F222 HydrophobicContact CB-CD1 3.99Å; F151-F222 HydrophobicContact CB-CE1 3.88Å; F151-F222 HydrophobicContact CD2-CB 3.92Å; F151-F222 AromaticContact CD2-CD1 3.69Å; F151-F222 HydrophobicContact CD2-CD1 3.69Å; F151-F222 HydrophobicContact CD2-CD2 4.2Å; F151-F222 HydrophobicContact CD2-CE1 4.25Å; F151-F222 AromaticContact CD2-CG 3.66Å; F151-F222 HydrophobicContact CD2-CG 3.66Å; F151-F222 HydrophobicContact CE2-CB 4.19Å; F151-F222 HydrophobicContact CE2-CG 4.34Å; F151-F222 HydrophobicContact CG-CD1 4.35Å; F151-L278 HydrophobicContact CZ-CD2 4.28Å; F151-L282 HydrophobicContact CD2-CD1 4.27Å; F151-L282 HydrophobicContact CE2-CD1 3.53Å; F151-L282 HydrophobicContact CZ-CD1 4.24Å
152	N	95.2	Very high	94.1	Very high	29 Å²	29	36.9 Å²	36.9	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-21.9	179.8	-71.6	-21.7	0	0	0	115	G148 E149 A150 H154 N155 K159 V160	G148-N152 WeakPolarHBondContact O-CB 3.24Å; G148-N152 PolarHBondContact O-N 3.1Å; G148-N152 PolarHBondContact O-ND2 2.99Å; E149-N152 PolarHBondContact O-N 3.34Å; A150-N152 VanDerWaalsContact C-N 3.3Å; A150-N152 PolarHBondContact O-N 3.27Å; N152-H154 PolarHBondContact O-N 2.91Å; N152-N155 PolarHBondContact O-N 2.89Å; N152-N155 VanDerWaalsContact O-N 3.16Å; N152-K159 HydrophobicContact CB-CD 4.34Å; N152-K159 HydrophobicContact CB-CG 4.42Å; N152-K159 WeakPolarHBondContact OD1-CA 3.41Å; N152-K159 VanDerWaalsContact OD1-CB 3.28Å; N152-K159 WeakPolarHBondContact OD1-CB 3.45Å; N152-V160 PolarHBondContact ND2-O 3.48Å; N152-V160 PolarHBondContact OD1-N 3.48Å
153	R	92.1	Very high	93.9	Very high	100 Å²	100	36.7 Å²	36.7	38%	0.377	18%	0.179	S	C	.	.	H	α-helix	trans	-67.4	-22.2	175.2	-70.1	172.5	-161.2	131.8	11.3	112.5	E149 A150 F151 N155	E149-R153 WeakPolarHBondContact O-CG 3.49Å; E149-R153 PolarHBondContact O-N 3.24Å; E149-R153 IonicContact OE2-NH2 2.84Å; A150-R153 WeakPolarHBondContact O-CB 3.33Å; A150-R153 PolarHBondContact O-N 2.8Å; F151-R153 PolarHBondContact O-N 3.42Å; R153-N155 PolarHBondContact O-N 3.11Å
154	H	90.4	Very high	93.7	Very high	73 Å²	73	37.9 Å²	37.9	34%	0.338	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.8	175.2	-60.6	78.2	0	0	0	112.7	A150 F151 N152 F222 W281 L282	A150-H154 PolarHBondContact O-ND1 3.07Å; F151-H154 WeakPolarHBondContact O-CB 3.47Å; F151-H154 PolarHBondContact O-N 3.28Å; F151-H154 VanDerWaalsContact O-N 3.08Å; N152-H154 PolarHBondContact O-N 2.91Å; H154-F222 AromaticContact CE1-CE2 3.44Å; H154-F222 VanDerWaalsContact CE1-CE2 3.44Å; H154-F222 WeakPolarHBondContact CE1-CE2 3.47Å; H154-F222 AromaticContact CE1-CZ 3.47Å; H154-F222 VanDerWaalsContact CE1-CZ 3.47Å; H154-F222 WeakPolarHBondContact CE1-CZ 3.48Å; H154-F222 AromaticContact ND1-CE2 3.57Å; H154-F222 AromaticContact ND1-CZ 3.6Å; H154-F222 AromaticContact NE2-CE2 3.94Å; H154-W281 VanDerWaalsContact O-CH2 3.3Å; H154-W281 WeakPolarHBondContact O-CH2 3.2Å; H154-L282 HydrophobicContact CB-CD2 3.73Å
155	N	92.4	Very high	93.7	Very high	105 Å²	105	38 Å²	38	56%	0.561	19%	0.185	S	C	*	.			trans	50.2	52.6	-178.3	-61.2	-56.8	0	0	0	114.2	N152 R153 W281	N152-N155 PolarHBondContact O-N 2.89Å; N152-N155 VanDerWaalsContact O-N 3.16Å; R153-N155 PolarHBondContact O-N 3.11Å; N155-W281 WeakPolarHBondContact O-CH2 3.21Å
156	P	93.7	Very high	93.7	Very high	7 Å²	7	38 Å²	38	5%	0.045	19%	0.187	C	C	.	.			trans	-59.8	154.6	174.8	30	-37.8	0	0	0	110.8	F151 K158	F151-P156 HydrophobicContact CD1-CB 4.4Å; F151-P156 HydrophobicContact CD1-CG 3.72Å; F151-P156 HydrophobicContact CE1-CB 3.66Å; F151-P156 HydrophobicContact CE1-CG 3.41Å; F151-P156 VanDerWaalsContact CE1-CG 3.41Å; F151-P156 HydrophobicContact CZ-CB 3.87Å; F151-P156 HydrophobicContact CZ-CG 4.1Å; F151-P156 WeakPolarHBondContact O-CD 3.22Å; P156-K158 WeakPolarHBondContact CG-O 3.08Å; P156-K158 PolarHBondContact O-N 3.48Å; P156-K158 VanDerWaalsContact O-N 3.09Å
157	P	93.7	Very high	93.9	Very high	104 Å²	104	37.5 Å²	37.5	68%	0.675	18%	0.184	S	C	*	.	S	Bend	trans	-55.1	-31.5	179.3	-26.1	34.7	0	0	0	113.7	L278	P157-L278 HydrophobicContact CG-CD1 4Å
158	K	94.3	Very high	94	Very high	102 Å²	102	37.5 Å²	37.5	44%	0.443	18%	0.184	S	C	.	.	S	Bend	trans	-123.5	124	170	-61.1	-171.6	-176.7	-179.9	0	108.9	P156 T215 D241	P156-K158 WeakPolarHBondContact CG-O 3.08Å; P156-K158 PolarHBondContact O-N 3.48Å; P156-K158 VanDerWaalsContact O-N 3.09Å; K158-T215 HydrophobicContact CB-CG2 4.44Å; K158-D241 WeakPolarHBondContact CD-OD2 3.15Å
159	K	95.4	Very high	94	Very high	113 Å²	113	39.5 Å²	39.5	49%	0.491	19%	0.193	S	C	.	.			trans	-77.4	148.4	170.6	-67.8	-169.5	175.6	-170	0	109.8	N152 D241	N152-K159 HydrophobicContact CB-CD 4.34Å; N152-K159 HydrophobicContact CB-CG 4.42Å; N152-K159 WeakPolarHBondContact OD1-CA 3.41Å; N152-K159 VanDerWaalsContact OD1-CB 3.28Å; N152-K159 WeakPolarHBondContact OD1-CB 3.45Å; K159-D241 WeakPolarHBondContact O-CB 2.92Å
160	V	96	Very high	94	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	18%	0.184	C	C	.	.			trans	-111	156.9	176.5	-55.9	0	0	0	0	110	F151 N152 T215 F219 D241 Y243	F151-V160 HydrophobicContact CD1-CG1 4.23Å; F151-V160 HydrophobicContact CD1-CG2 3.77Å; F151-V160 HydrophobicContact CE1-CG1 4.04Å; F151-V160 HydrophobicContact CE1-CG2 4.43Å; F151-V160 HydrophobicContact CG-CG2 4.49Å; N152-V160 PolarHBondContact ND2-O 3.48Å; N152-V160 PolarHBondContact OD1-N 3.48Å; V160-T215 HydrophobicContact CG1-CG2 3.45Å; V160-T215 VanDerWaalsContact CG1-CG2 3.45Å; V160-F219 HydrophobicContact CG2-CD2 4.16Å; V160-F219 HydrophobicContact CG2-CE2 4.34Å; V160-D241 CarbonylContact C-O 3.3Å; V160-D241 VanDerWaalsContact CA-O 3.31Å; V160-D241 WeakPolarHBondContact CA-O 3.38Å; V160-D241 HydrophobicContact CG1-CB 4.46Å; V160-Y243 HydrophobicContact CB-CD2 4.32Å; V160-Y243 HydrophobicContact CB-CE2 3.73Å; V160-Y243 HydrophobicContact CG1-CE2 3.69Å
161	D	95.9	Very high	93.6	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.8	166.1	-164.1	16.2	0	0	0	110.1	K145 D241 L242 Y243 S560	K145-D161 VanDerWaalsContact NZ-CG 3.33Å; K145-D161 IonicContact NZ-OD1 3.86Å; K145-D161 PolarHBondContact NZ-OD1 3.03Å; K145-D161 IonicContact NZ-OD2 3.66Å; K145-D161 PolarHBondContact NZ-OD2 3.48Å; D161-D241 PolarHBondContact N-O 3.1Å; D161-L242 HydrophobicContact CB-CD1 3.93Å; D161-L242 WeakPolarHBondContact O-CA 3.16Å; D161-Y243 PolarHBondContact O-N 3.21Å; D161-S560 VanDerWaalsContact OD2-CB 3.22Å; D161-S560 WeakPolarHBondContact OD2-CB 3.19Å; D161-S560 PolarHBondContact OD2-OG 3.28Å
162	I	95.3	Very high	92.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.8	175.5	-67.3	158.5	0	0	0	107.8	Q141 A144 K145 F219 Y243 P246	Q141-I162 HydrophobicContact CG-CG2 3.64Å; A144-I162 VanDerWaalsContact C-CD1 3.41Å; A144-I162 HydrophobicContact CB-CD1 3.82Å; A144-I162 VanDerWaalsContact O-CD1 3.25Å; A144-I162 WeakPolarHBondContact O-CD1 3.41Å; K145-I162 HydrophobicContact CB-CB 4.11Å; K145-I162 HydrophobicContact CB-CG2 4.43Å; K145-I162 WeakPolarHBondContact CD-O 3.48Å; K145-I162 HydrophobicContact CG-CB 4.43Å; K145-I162 PolarHBondContact NZ-O 2.87Å; I162-F219 HydrophobicContact CD1-CE1 4.37Å; I162-F219 HydrophobicContact CD1-CZ 4.23Å; I162-Y243 CarbonylContact C-O 3.6Å; I162-Y243 WeakPolarHBondContact CA-O 3.4Å; I162-Y243 HydrophobicContact CG1-CD2 4.4Å; I162-P246 HydrophobicContact CG2-CG 4.36Å
163	F	90.5	Very high	90.9	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.066	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56.6	144.1	-179.1	-95.7	-72	0	0	0	112.2	Q141 L165 R192 M194 L242 Y243	Q141-F163 PolarHBondContact NE2-O 2.95Å; F163-L165 PolarHBondContact O-N 3.46Å; F163-R192 HydrophobicContact CD1-CB 4.29Å; F163-R192 HydrophobicContact CE1-CB 3.75Å; F163-R192 HydrophobicContact CZ-CB 4.47Å; F163-M194 HydrophobicContact CD2-CE 4.43Å; F163-M194 HydrophobicContact CD2-CG 3.76Å; F163-M194 HydrophobicContact CD2-SD 3.52Å; F163-M194 VanDerWaalsContact CD2-SD 3.52Å; F163-M194 HydrophobicContact CE2-CB 4.48Å; F163-M194 HydrophobicContact CE2-CG 3.1Å; F163-M194 HydrophobicContact CE2-SD 3.31Å; F163-M194 WeakPolarHBondContact CE2-SD 3.41Å; F163-M194 HydrophobicContact CZ-CG 3.76Å; F163-M194 HydrophobicContact CZ-SD 4.47Å; F163-L242 HydrophobicContact CD2-CD1 3.96Å; F163-L242 HydrophobicContact CD2-CD2 4.21Å; F163-L242 HydrophobicContact CD2-CG 3.82Å; F163-L242 HydrophobicContact CE1-CD2 4.45Å; F163-L242 HydrophobicContact CE2-CD1 3.73Å; F163-L242 HydrophobicContact CE2-CD2 3.2Å; F163-L242 HydrophobicContact CE2-CG 3.27Å; F163-L242 HydrophobicContact CZ-CD1 4.2Å; F163-L242 HydrophobicContact CZ-CD2 3.38Å; F163-L242 HydrophobicContact CZ-CG 3.94Å; F163-Y243 PolarHBondContact N-O 2.86Å
164	Q	91.6	Very high	89	Confident	36 Å²	36	47.2 Å²	47.2	17%	0.168	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-70.8	124.5	166.9	-65.6	-170.2	-16.8	0	0	109.2	M142 K145 S562	M142-Q164 HydrophobicContact CE-CG 4.18Å; M142-Q164 HydrophobicContact SD-CB 4.1Å; M142-Q164 HydrophobicContact SD-CG 4.16Å; K145-Q164 HydrophobicContact CD-CG 4.04Å; Q164-S562 PolarHBondContact OE1-O 2.89Å
165	L	94.8	Very high	87.1	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-99.5	149.6	172	-159.4	66.5	0	0	0	109.4	V138 Q141 F163 H189 E191	V138-L165 HydrophobicContact CG2-CB 4.14Å; V138-L165 HydrophobicContact CG2-CD2 3.79Å; V138-L165 HydrophobicContact CG2-CG 3.83Å; Q141-L165 HydrophobicContact CB-CB 4.27Å; Q141-L165 HydrophobicContact CB-CD2 4.38Å; Q141-L165 HydrophobicContact CG-CB 4.21Å; F163-L165 PolarHBondContact O-N 3.46Å; L165-H189 HydrophobicContact CD1-CB 3.89Å; L165-H189 HydrophobicContact CD2-CB 4.24Å; L165-H189 HydrophobicContact CG-CB 4.16Å; L165-E191 HydrophobicContact CD1-CB 4.03Å
166	S	96	Very high	85	Confident	11 Å²	11	48 Å²	48	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.3	173.1	-54	0	0	0	0	109.7	H67 H189 I190	H67-S166 WeakPolarHBondContact O-CA 3.2Å; H67-S166 VanDerWaalsContact O-CB 3.3Å; H67-S166 WeakPolarHBondContact O-CB 3.18Å; S166-H189 CarbonylContact O-C 3.54Å; S166-H189 WeakPolarHBondContact O-CA 3.5Å; S166-I190 PolarHBondContact N-O 2.94Å; S166-I190 VanDerWaalsContact N-O 3.11Å; S166-I190 PolarHBondContact O-N 3.28Å
167	V	97.1	Very high	82.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134	169.8	-173.3	0	0	0	0	108.2	R66 H67 F135 V138 F187 F188	R66-V167 CarbonylContact C-O 3.59Å; R66-V167 WeakPolarHBondContact CA-O 3.45Å; H67-V167 HydrophobicContact CB-CB 4.12Å; H67-V167 PolarHBondContact N-O 3.45Å; H67-V167 PolarHBondContact O-N 3.04Å; F135-V167 HydrophobicContact CD1-CG2 4.42Å; F135-V167 HydrophobicContact CD2-CG2 4.27Å; F135-V167 HydrophobicContact CE2-CG1 4.21Å; F135-V167 HydrophobicContact CE2-CG2 4.46Å; F135-V167 HydrophobicContact CG-CG2 4.24Å; F135-V167 HydrophobicContact CZ-CG1 4.46Å; V138-V167 HydrophobicContact CB-CG2 4.37Å; V138-V167 HydrophobicContact CG2-CG2 3.64Å; V167-F187 HydrophobicContact CG1-CD1 3.83Å; V167-F188 CarbonylContact C-O 3.51Å; V167-F188 WeakPolarHBondContact CA-O 3.34Å
168	L	95.8	Very high	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.6	170.2	-171.4	80.1	0	0	0	108.3	A64 L65 V81 I83 M101 L170 F187 F188 I190	A64-L168 HydrophobicContact CB-CD1 3.44Å; A64-L168 VanDerWaalsContact CB-CD1 3.44Å; A64-L168 HydrophobicContact CB-CD2 4.23Å; A64-L168 HydrophobicContact CB-CG 3.82Å; L65-L168 CarbonylContact O-C 3.54Å; L65-L168 WeakPolarHBondContact O-CA 3.42Å; V81-L168 HydrophobicContact CG2-CD1 3.71Å; I83-L168 HydrophobicContact CD1-CD2 3.68Å; M101-L168 HydrophobicContact SD-CD2 3.98Å; L168-L170 HydrophobicContact CD2-CD1 4.32Å; L168-L170 HydrophobicContact CD2-CG 4.29Å; L168-F187 WeakPolarHBondContact O-CA 3.27Å; L168-F188 HydrophobicContact CB-CB 4.3Å; L168-F188 PolarHBondContact N-O 2.85Å; L168-F188 PolarHBondContact O-N 3.5Å; L168-I190 HydrophobicContact CB-CD1 4.46Å; L168-I190 HydrophobicContact CB-CG1 4.34Å; L168-I190 HydrophobicContact CB-CG2 3.57Å; L168-I190 HydrophobicContact CD1-CD1 4.22Å; L168-I190 HydrophobicContact CD2-CG2 3.96Å; L168-I190 HydrophobicContact CG-CG2 4.26Å
169	E	95.2	Very high	77.8	Confident	41 Å²	41	55.6 Å²	55.6	19%	0.192	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.9	176.7	177.9	-177.1	172.2	0	0	108.8	A64 L65 H67 P185 F187	A64-E169 WeakPolarHBondContact CA-O 3.34Å; L65-E169 HydrophobicContact CB-CB 4.23Å; L65-E169 PolarHBondContact N-O 3.4Å; L65-E169 PolarHBondContact O-N 3.38Å; H67-E169 IonicContact CD2-OE2 2.89Å; H67-E169 IonicContact CE1-OE2 3.06Å; H67-E169 IonicContact NE2-OE2 2.65Å; H67-E169 PolarHBondContact NE2-OE2 3.26Å; E169-P185 HydrophobicContact CG-CB 3.95Å; E169-F187 HydrophobicContact CB-CD1 4.2Å; E169-F187 HydrophobicContact CB-CE1 3.99Å; E169-F187 HydrophobicContact CG-CD1 4.38Å; E169-F187 HydrophobicContact CG-CE1 3.81Å; E169-F187 HydrophobicContact CG-CZ 4.25Å
170	L	91.7	Very high	75.5	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.058	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.1	176.3	-77.9	166.7	0	0	0	109.3	R62 A64 I83 M85 L168 P185 A186 F188	R62-L170 HydrophobicContact CB-CD2 4.19Å; A64-L170 HydrophobicContact CB-CD2 3.65Å; A64-L170 HydrophobicContact CB-CG 4.26Å; I83-L170 HydrophobicContact CD1-CD1 4.48Å; I83-L170 HydrophobicContact CD1-CD2 4.2Å; M85-L170 HydrophobicContact CE-CD1 3.95Å; L168-L170 HydrophobicContact CD2-CD1 4.32Å; L168-L170 HydrophobicContact CD2-CG 4.29Å; L170-P185 WeakPolarHBondContact O-CA 3.48Å; L170-A186 HydrophobicContact CB-CB 4.43Å; L170-A186 PolarHBondContact N-O 3.2Å; L170-A186 PolarHBondContact O-N 3.44Å; L170-F188 HydrophobicContact CD1-CD2 3.95Å; L170-F188 HydrophobicContact CD1-CE2 3.7Å
171	S	83.1	Confident	73.4	Confident	80 Å²	80	63.8 Å²	63.8	56%	0.559	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-67.5	144.2	171.2	-63.3	0	0	0	0	110.1	D173	S171-D173 PolarHBondContact O-N 2.93Å
172	P	70.6	Confident	71.5	Confident	50 Å²	50	69.2 Å²	69.2	33%	0.325	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-59.7	130.8	175.7	22.7	-31.1	0	0	0	110.5	S174	P172-S174 PolarHBondContact O-N 2.94Å
173	D	64.2	Low	70	Confident	76 Å²	76	77.5 Å²	77.5	41%	0.406	44%	0.443	S	S	.	.			trans	-57.9	110	178.7	-78.7	-25.4	0	0	0	108.9	R62 S171 S175	R62-D173 IonicContact CZ-OD2 4Å; R62-D173 IonicContact NE-OD1 3.98Å; R62-D173 IonicContact NE-OD2 3.47Å; R62-D173 PolarHBondContact NE-OD2 3.24Å; R62-D173 IonicContact NH2-OD2 2.63Å; R62-D173 PolarHBondContact NH2-OD2 3.23Å; S171-D173 PolarHBondContact O-N 2.93Å; D173-S175 PolarHBondContact O-N 3.37Å
174	S	51.3	Low	69.3	Low	133 Å²	133	80.5 Å²	80.5	93%	0.93	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-0.4	-179	-47.7	0	0	0	0	113.7	P172	P172-S174 PolarHBondContact O-N 2.94Å
175	S	50.7	Low	68.9	Low	103 Å²	103	80.9 Å²	80.9	72%	0.72	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.8	-173.7	52.7	0	0	0	0	115.2	D173	D173-S175 PolarHBondContact O-N 3.37Å
176	V	48	Very low	68.7	Low	91 Å²	91	82.7 Å²	82.7	55%	0.552	49%	0.487	S	S	*	.			trans	-103.1	85.9	177.4	-171.9	0	0	0	0	109.9	T178	V176-T178 PolarHBondContact O-N 2.75Å; V176-T178 VanDerWaalsContact O-N 3.1Å
177	G	40.5	Very low	68.7	Low	77 Å²	77	83.5 Å²	83.5	79%	0.794	49%	0.489	S	S	*	.			trans	-73.8	90.6	171.1	0	0	0	0	0	110.4
178	T	45.4	Very low	68.6	Low	108 Å²	108	84 Å²	84	66%	0.663	49%	0.491	S	S	*	.			trans	-158.5	141.5	163.6	-13.1	0	0	0	0	110.8	V176 V181	V176-T178 PolarHBondContact O-N 2.75Å; V176-T178 VanDerWaalsContact O-N 3.1Å; T178-V181 WeakPolarHBondContact O-CG2 3.43Å
179	E	43.9	Very low	68.7	Low	188 Å²	188	84 Å²	84	88%	0.879	49%	0.491	S	S	*	.	S	Bend	trans	-68.8	127.8	-162.1	-58.8	172	167.7	0	0	112.2
180	K	48.5	Very low	68.7	Low	215 Å²	215	82.1 Å²	82.1	94%	0.935	48%	0.483	S	S	*	.			trans	94.1	49.6	-178.3	-56.1	-177.4	177	-178.2	0	117.8
181	V	50.9	Low	68.7	Low	74 Å²	74	82 Å²	82	45%	0.448	48%	0.482	S	S	.	.			trans	-101.4	121.7	171.9	-175.6	0	0	0	0	109.7	T178 F183	T178-V181 WeakPolarHBondContact O-CG2 3.43Å; V181-F183 VanDerWaalsContact O-CD2 3.31Å; V181-F183 WeakPolarHBondContact O-CD2 3.42Å; V181-F183 PolarHBondContact O-N 2.8Å; V181-F183 VanDerWaalsContact O-N 3.1Å
182	D	57	Low	69.1	Low	143 Å²	143	81 Å²	81	77%	0.765	47%	0.466	S	S	*	.			trans	-59.7	112	166.2	-93.3	-31.7	0	0	0	108.5	S184	D182-S184 PolarHBondContact O-N 2.92Å
183	F	64.1	Low	70	Confident	173 Å²	173	81.4 Å²	81.4	76%	0.759	46%	0.463	S	S	*	.			trans	-73.5	13.4	179.5	-69.1	-82.1	0	0	0	113.2	V181	V181-F183 VanDerWaalsContact O-CD2 3.31Å; V181-F183 WeakPolarHBondContact O-CD2 3.42Å; V181-F183 PolarHBondContact O-N 2.8Å; V181-F183 VanDerWaalsContact O-N 3.1Å
184	S	74.6	Confident	70.9	Confident	78 Å²	78	78.9 Å²	78.9	55%	0.545	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-72.2	133.9	177.8	55.4	0	0	0	0	110.4	D182	D182-S184 PolarHBondContact O-N 2.92Å
185	P	84.5	Confident	72.4	Confident	44 Å²	44	77.4 Å²	77.4	29%	0.286	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-59.1	144.5	171.4	25.7	-32.7	0	0	0	110.4	E169 L170 F187	E169-P185 HydrophobicContact CG-CB 3.95Å; L170-P185 WeakPolarHBondContact O-CA 3.48Å; P185-F187 HydrophobicContact CB-CE2 4.35Å; P185-F187 HydrophobicContact CB-CZ 4.38Å; P185-F187 HydrophobicContact CG-CE2 3.85Å; P185-F187 HydrophobicContact CG-CZ 3.87Å; P185-F187 WeakPolarHBondContact O-CD2 3.29Å; P185-F187 WeakPolarHBondContact O-CE2 3.49Å
186	A	90.4	Very high	74.1	Confident	40 Å²	40	74.7 Å²	74.7	33%	0.331	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.7	177	0	0	0	0	0	110.1	L170 F188	L170-A186 HydrophobicContact CB-CB 4.43Å; L170-A186 PolarHBondContact N-O 3.2Å; L170-A186 PolarHBondContact O-N 3.44Å; A186-F188 HydrophobicContact CB-CE2 3.82Å
187	F	94.7	Very high	76	Confident	28 Å²	28	75.8 Å²	75.8	12%	0.123	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.4	-179.9	-64.1	-85.3	0	0	0	111.2	K131 Y134 F135 V167 L168 E169 P185	K131-F187 HydrophobicContact CB-CD1 4.43Å; K131-F187 HydrophobicContact CB-CD2 3.9Å; K131-F187 HydrophobicContact CB-CE1 4.19Å; K131-F187 HydrophobicContact CB-CE2 3.62Å; K131-F187 HydrophobicContact CB-CG 4.3Å; K131-F187 HydrophobicContact CB-CZ 3.78Å; K131-F187 HydrophobicContact CD-CE2 4.35Å; K131-F187 HydrophobicContact CD-CZ 3.98Å; Y134-F187 HydrophobicContact CD1-CB 4.03Å; Y134-F187 HydrophobicContact CD2-CB 3.91Å; Y134-F187 HydrophobicContact CE1-CB 3.96Å; Y134-F187 WeakPolarHBondContact CE1-O 3.47Å; Y134-F187 HydrophobicContact CE2-CB 3.86Å; Y134-F187 HydrophobicContact CG-CB 3.98Å; Y134-F187 VanDerWaalsContact CZ-O 3.23Å; Y134-F187 PolarHBondContact OH-O 2.88Å; F135-F187 HydrophobicContact CE2-CD1 4.48Å; F135-F187 HydrophobicContact CE2-CE1 4.24Å; V167-F187 HydrophobicContact CG1-CD1 3.83Å; L168-F187 WeakPolarHBondContact O-CA 3.27Å; E169-F187 HydrophobicContact CB-CD1 4.2Å; E169-F187 HydrophobicContact CB-CE1 3.99Å; E169-F187 HydrophobicContact CG-CD1 4.38Å; E169-F187 HydrophobicContact CG-CE1 3.81Å; E169-F187 HydrophobicContact CG-CZ 4.25Å; P185-F187 HydrophobicContact CB-CE2 4.35Å; P185-F187 HydrophobicContact CB-CZ 4.38Å; P185-F187 HydrophobicContact CG-CE2 3.85Å; P185-F187 HydrophobicContact CG-CZ 3.87Å; P185-F187 WeakPolarHBondContact O-CD2 3.29Å; P185-F187 WeakPolarHBondContact O-CE2 3.49Å
188	F	96.1	Very high	78.2	Confident	10 Å²	10	75.6 Å²	75.6	4%	0.044	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.4	174.6	-63.2	-101.7	0	0	0	109.4	M85 F99 A122 K123 R124 V167 L168 L170 A186	M85-F188 HydrophobicContact CE-CE1 4.06Å; M85-F188 HydrophobicContact CE-CE2 4.29Å; M85-F188 HydrophobicContact CE-CZ 3.84Å; M85-F188 HydrophobicContact SD-CD1 4.47Å; M85-F188 HydrophobicContact SD-CE1 4.31Å; F99-F188 HydrophobicContact CD2-CD1 4.35Å; F99-F188 AromaticContact CD2-CE1 3.98Å; F99-F188 HydrophobicContact CD2-CE1 3.98Å; F99-F188 AromaticContact CE2-CE1 3.92Å; F99-F188 HydrophobicContact CE2-CE1 3.92Å; A122-F188 HydrophobicContact CB-CB 4.34Å; A122-F188 HydrophobicContact CB-CD1 4.12Å; K123-F188 CarbonylContact O-C 3.5Å; K123-F188 WeakPolarHBondContact O-CA 3.08Å; R124-F188 HydrophobicContact CB-CD1 3.77Å; R124-F188 HydrophobicContact CB-CE1 3.74Å; R124-F188 HydrophobicContact CG-CD1 4.48Å; R124-F188 HydrophobicContact CG-CE1 4.25Å; V167-F188 CarbonylContact C-O 3.51Å; V167-F188 WeakPolarHBondContact CA-O 3.34Å; L168-F188 HydrophobicContact CB-CB 4.3Å; L168-F188 PolarHBondContact N-O 2.85Å; L168-F188 PolarHBondContact O-N 3.5Å; L170-F188 HydrophobicContact CD1-CD2 3.95Å; L170-F188 HydrophobicContact CD1-CE2 3.7Å; A186-F188 HydrophobicContact CB-CE2 3.82Å
189	H	96.5	Very high	80.3	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.5	158	-60.7	122.1	0	0	0	109.4	A122 K123 Y125 Y134 D137 L165 S166	A122-H189 CarbonylContact C-O 3.56Å; A122-H189 VanDerWaalsContact CA-O 3.26Å; A122-H189 WeakPolarHBondContact CA-O 3.32Å; K123-H189 HydrophobicContact CB-CB 4.27Å; K123-H189 PolarHBondContact N-O 3.38Å; K123-H189 PolarHBondContact O-N 3.5Å; Y125-H189 AromaticContact CE2-CE1 3.96Å; Y134-H189 VanDerWaalsContact CA-NE2 3.34Å; Y134-H189 WeakPolarHBondContact CA-NE2 3.41Å; Y134-H189 AromaticContact CD1-CD2 3.91Å; Y134-H189 AromaticContact CD1-CE1 3.63Å; Y134-H189 AromaticContact CD1-ND1 3.88Å; Y134-H189 AromaticContact CD1-NE2 3.65Å; Y134-H189 PolarHBondContact O-NE2 3.12Å; D137-H189 WeakPolarHBondContact CB-NE2 3.38Å; D137-H189 IonicContact OD2-CE1 2.68Å; D137-H189 PolarHBondContact OD2-CE1 3.34Å; D137-H189 VanDerWaalsContact OD2-CE1 3.29Å; D137-H189 IonicContact OD2-NE2 2.69Å; L165-H189 HydrophobicContact CD1-CB 3.89Å; L165-H189 HydrophobicContact CD2-CB 4.24Å; L165-H189 HydrophobicContact CG-CB 4.16Å; S166-H189 CarbonylContact O-C 3.54Å; S166-H189 WeakPolarHBondContact O-CA 3.5Å
190	I	95.2	Very high	82.6	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.9	174.6	62.7	160.3	0	0	0	111.2	R66 M101 V121 A122 S166 L168	R66-I190 HydrophobicContact CG-CD1 4.09Å; M101-I190 HydrophobicContact CE-CB 3.87Å; M101-I190 HydrophobicContact CE-CD1 4.28Å; M101-I190 HydrophobicContact CE-CG2 3.53Å; M101-I190 HydrophobicContact SD-CG2 4.17Å; V121-I190 WeakPolarHBondContact O-CA 3.13Å; A122-I190 HydrophobicContact CB-CG2 4.15Å; S166-I190 PolarHBondContact N-O 2.94Å; S166-I190 VanDerWaalsContact N-O 3.11Å; S166-I190 PolarHBondContact O-N 3.28Å; L168-I190 HydrophobicContact CB-CD1 4.46Å; L168-I190 HydrophobicContact CB-CG1 4.34Å; L168-I190 HydrophobicContact CB-CG2 3.57Å; L168-I190 HydrophobicContact CD1-CD1 4.22Å; L168-I190 HydrophobicContact CD2-CG2 3.96Å; L168-I190 HydrophobicContact CG-CG2 4.26Å
191	E	93.2	Very high	84.8	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.9	174.6	62.6	-179.6	-165.7	0	0	109.9	Y120 V121 K123 L165 T244	Y120-E191 CarbonylContact C-O 3.47Å; Y120-E191 WeakPolarHBondContact CA-O 3.41Å; Y120-E191 WeakPolarHBondContact CB-O 3.32Å; Y120-E191 VanDerWaalsContact CD1-C 3.41Å; Y120-E191 WeakPolarHBondContact CD1-O 3.43Å; V121-E191 HydrophobicContact CB-CG 4.33Å; V121-E191 PolarHBondContact N-O 3.07Å; V121-E191 PolarHBondContact O-N 2.98Å; V121-E191 VanDerWaalsContact O-N 3.12Å; K123-E191 WeakPolarHBondContact CE-OE1 3.09Å; K123-E191 IonicContact NZ-OE1 3.94Å; K123-E191 PolarHBondContact NZ-OE1 3.46Å; K123-E191 IonicContact NZ-OE2 2.74Å; K123-E191 PolarHBondContact NZ-OE2 3.05Å; L165-E191 HydrophobicContact CD1-CB 4.03Å; E191-T244 PolarHBondContact OE2-OG1 3.11Å
192	R	90.7	Very high	86.9	Confident	59 Å²	59	55.2 Å²	55.2	22%	0.223	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	148.9	175.7	-72.1	-172.3	-176.1	163.1	9.3	110.3	Y120 F163 M194 E561 D564	Y120-R192 HydrophobicContact CD1-CG 4.16Å; Y120-R192 HydrophobicContact CE1-CB 4.5Å; Y120-R192 HydrophobicContact CE1-CG 3.56Å; Y120-R192 HydrophobicContact CE2-CG 4.25Å; Y120-R192 PolarHBondContact OH-NE 3.04Å; F163-R192 HydrophobicContact CD1-CB 4.29Å; F163-R192 HydrophobicContact CE1-CB 3.75Å; F163-R192 HydrophobicContact CZ-CB 4.47Å; R192-M194 PolarHBondContact O-N 3.07Å; R192-E561 PolarHBondContact NH1-O 3.49Å; R192-D564 IonicContact NH2-OD1 2.63Å; R192-D564 PolarHBondContact NH2-OD1 2.94Å; R192-D564 VanDerWaalsContact NH2-OD1 3.11Å
193	F	88.8	Confident	88.7	Confident	58 Å²	58	48.8 Å²	48.8	25%	0.254	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-64.4	132.7	174.8	176.5	-113.7	0	0	0	111.1	W51 N119 V121 E195	W51-F193 HydrophobicContact CH2-CB 3.95Å; W51-F193 AromaticContact CH2-CD2 3.72Å; W51-F193 HydrophobicContact CH2-CD2 3.72Å; W51-F193 HydrophobicContact CH2-CE2 4.43Å; W51-F193 AromaticContact CH2-CG 3.86Å; W51-F193 HydrophobicContact CH2-CG 3.86Å; W51-F193 HydrophobicContact CZ2-CB 4.23Å; W51-F193 HydrophobicContact CZ2-CD1 4.17Å; W51-F193 AromaticContact CZ2-CD2 3.28Å; W51-F193 HydrophobicContact CZ2-CD2 3.28Å; W51-F193 HydrophobicContact CZ2-CE1 4.39Å; W51-F193 AromaticContact CZ2-CE2 3.56Å; W51-F193 HydrophobicContact CZ2-CE2 3.56Å; W51-F193 AromaticContact CZ2-CG 3.62Å; W51-F193 HydrophobicContact CZ2-CG 3.62Å; W51-F193 HydrophobicContact CZ2-CZ 4.11Å; W51-F193 HydrophobicContact CZ3-CB 4.44Å; N119-F193 HydrophobicContact CB-CB 3.77Å; N119-F193 HydrophobicContact CB-CG 4.48Å; N119-F193 PolarHBondContact O-N 3Å; V121-F193 HydrophobicContact CG2-CB 4.34Å; V121-F193 HydrophobicContact CG2-CD2 3.91Å; F193-E195 HydrophobicContact CE1-CB 4.21Å; F193-E195 HydrophobicContact CE1-CG 4.12Å
194	M	84.7	Confident	90.1	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.113	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-96.6	116.6	176.4	-71.9	-167	-80.7	0	0	110.8	F163 R192 Y198 V239 T244	F163-M194 HydrophobicContact CD2-CE 4.43Å; F163-M194 HydrophobicContact CD2-CG 3.76Å; F163-M194 HydrophobicContact CD2-SD 3.52Å; F163-M194 VanDerWaalsContact CD2-SD 3.52Å; F163-M194 HydrophobicContact CE2-CB 4.48Å; F163-M194 HydrophobicContact CE2-CG 3.1Å; F163-M194 HydrophobicContact CE2-SD 3.31Å; F163-M194 WeakPolarHBondContact CE2-SD 3.41Å; F163-M194 HydrophobicContact CZ-CG 3.76Å; F163-M194 HydrophobicContact CZ-SD 4.47Å; R192-M194 PolarHBondContact O-N 3.07Å; M194-Y198 HydrophobicContact CE-CD2 4.08Å; M194-Y198 HydrophobicContact CE-CE2 3.72Å; M194-V239 HydrophobicContact CB-CG2 3.94Å; M194-V239 HydrophobicContact SD-CG2 4.48Å; M194-T244 HydrophobicContact CE-CG2 3.33Å
195	E	82.8	Confident	90.9	Very high	102 Å²	102	40 Å²	40	48%	0.477	21%	0.205	S	C	.	.			trans	-93.1	114.5	179.7	-150.9	167.1	-126.5	0	0	110.4	S50 F193	S50-E195 VanDerWaalsContact CB-OE1 3.3Å; S50-E195 WeakPolarHBondContact CB-OE1 3.35Å; S50-E195 PolarHBondContact OG-OE1 3.01Å; F193-E195 HydrophobicContact CE1-CB 4.21Å; F193-E195 HydrophobicContact CE1-CG 4.12Å
196	G	85.7	Confident	91	Very high	46 Å²	46	38.6 Å²	38.6	47%	0.474	20%	0.198	S	C	.	.	S	Bend	trans	144	-168.2	176.2	0	0	0	0	0	113.5	Y198	G196-Y198 PolarHBondContact O-N 3.32Å
197	E	87.2	Confident	90.9	Very high	114 Å²	114	40.9 Å²	40.9	53%	0.533	20%	0.201	S	C	.	.			trans	-80.9	111.1	180	-168.5	-172.6	164.6	0	0	110.1	R199	E197-R199 VanDerWaalsContact CD-NE 3.27Å; E197-R199 HydrophobicContact CG-CG 4.34Å; E197-R199 IonicContact OE1-CZ 3.19Å; E197-R199 IonicContact OE1-NE 3.84Å; E197-R199 PolarHBondContact OE1-NE 2.9Å; E197-R199 IonicContact OE1-NH2 3.5Å; E197-R199 PolarHBondContact OE1-NH2 3.45Å; E197-R199 IonicContact OE2-CZ 3.92Å; E197-R199 IonicContact OE2-NE 2.74Å; E197-R199 IonicContact OE2-NH2 2.67Å; E197-R199 PolarHBondContact OE2-NH2 3.31Å
198	Y	86.8	Confident	90.6	Very high	72 Å²	72	40.7 Å²	40.7	28%	0.282	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128	176.8	-167.9	-79.9	0	0	0	110.2	M194 G196 Q237 T244	M194-Y198 HydrophobicContact CE-CD2 4.08Å; M194-Y198 HydrophobicContact CE-CE2 3.72Å; G196-Y198 PolarHBondContact O-N 3.32Å; Y198-Q237 HydrophobicContact CE1-CB 4.12Å; Y198-Q237 HydrophobicContact CE1-CG 4.4Å; Y198-Q237 VanDerWaalsContact OH-CG 3.22Å; Y198-Q237 WeakPolarHBondContact OH-CG 3.4Å; Y198-Q237 PolarHBondContact OH-OE1 2.81Å; Y198-T244 HydrophobicContact CE2-CG2 4.15Å
199	R	90.4	Very high	90.1	Very high	72 Å²	72	41.8 Å²	41.8	27%	0.272	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.3	178.2	-65	-170.7	174.5	-159.1	3.5	111.5	E197 Y201 C211 Q237 G238	E197-R199 VanDerWaalsContact CD-NE 3.27Å; E197-R199 HydrophobicContact CG-CG 4.34Å; E197-R199 IonicContact OE1-CZ 3.19Å; E197-R199 IonicContact OE1-NE 3.84Å; E197-R199 PolarHBondContact OE1-NE 2.9Å; E197-R199 IonicContact OE1-NH2 3.5Å; E197-R199 PolarHBondContact OE1-NH2 3.45Å; E197-R199 IonicContact OE2-CZ 3.92Å; E197-R199 IonicContact OE2-NE 2.74Å; E197-R199 IonicContact OE2-NH2 2.67Å; E197-R199 PolarHBondContact OE2-NH2 3.31Å; R199-Y201 HydrophobicContact CB-CE1 3.99Å; R199-C211 PolarHBondContact NH1-SG 3.25Å; R199-C211 VanDerWaalsContact NH1-SG 3.44Å; R199-Q237 CarbonylContact O-C 3.59Å; R199-Q237 VanDerWaalsContact O-CA 3.22Å; R199-Q237 WeakPolarHBondContact O-CA 3.48Å; R199-G238 PolarHBondContact N-O 3.21Å; R199-G238 PolarHBondContact O-N 3.42Å
200	K	92.6	Very high	89.4	Confident	78 Å²	78	47.4 Å²	47.4	34%	0.339	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.9	171.3	-178.6	167.9	-174.6	169	0	108.7	N202 D209 D235 Q237	K200-N202 WeakPolarHBondContact CE-O 3.45Å; K200-N202 WeakPolarHBondContact CG-O 3.43Å; K200-D209 WeakPolarHBondContact O-CB 3.37Å; K200-D235 WeakPolarHBondContact CE-OD1 3.32Å; K200-D235 IonicContact NZ-OD1 3.85Å; K200-D235 PolarHBondContact NZ-OD1 3.35Å; K200-Q237 HydrophobicContact CB-CB 4.05Å; K200-Q237 HydrophobicContact CG-CB 4.17Å
201	Y	94.2	Very high	88.7	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.027	25%	0.254	C	S	.	.			trans	-90.6	-32.8	-172.3	-58.1	-70	0	0	0	113.2	R199 D209 R213 P216 Q217 I236 G240 Y243	R199-Y201 HydrophobicContact CB-CE1 3.99Å; Y201-D209 PolarHBondContact O-N 2.83Å; Y201-R213 HydrophobicContact CD1-CG 4.49Å; Y201-R213 HydrophobicContact CE1-CG 4.29Å; Y201-R213 VanDerWaalsContact CZ-NH1 3.27Å; Y201-R213 PolarHBondContact OH-NH1 3.27Å; Y201-P216 HydrophobicContact CD1-CG 3.96Å; Y201-P216 HydrophobicContact CD2-CB 4.09Å; Y201-P216 HydrophobicContact CD2-CG 3.7Å; Y201-P216 HydrophobicContact CE1-CG 4.5Å; Y201-P216 HydrophobicContact CE2-CG 4.27Å; Y201-P216 HydrophobicContact CG-CB 3.85Å; Y201-P216 HydrophobicContact CG-CG 3.52Å; Y201-Q217 PolarHBondContact O-NE2 3.21Å; Y201-I236 WeakPolarHBondContact CB-O 3.04Å; Y201-I236 HydrophobicContact CD2-CG2 4.19Å; Y201-I236 WeakPolarHBondContact CD2-O 3.43Å; Y201-I236 PolarHBondContact N-O 2.85Å; Y201-G240 PolarHBondContact OH-O 3.37Å; Y201-G240 VanDerWaalsContact OH-O 3.09Å; Y201-Y243 HydrophobicContact CD2-CE1 4.1Å; Y201-Y243 HydrophobicContact CE2-CD1 4.23Å; Y201-Y243 AromaticContact CE2-CE1 3.75Å; Y201-Y243 HydrophobicContact CE2-CE1 3.75Å
202	N	95.3	Very high	88.1	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-146.3	167.9	168.4	58.3	31	0	0	0	110.8	K200 F207 Q217 S220 D235 I236	K200-N202 WeakPolarHBondContact CE-O 3.45Å; K200-N202 WeakPolarHBondContact CG-O 3.43Å; N202-F207 CarbonylContact C-O 3.46Å; N202-F207 WeakPolarHBondContact CA-O 3.41Å; N202-F207 WeakPolarHBondContact CB-O 3.34Å; N202-Q217 PolarHBondContact ND2-OE1 3.02Å; N202-S220 PolarHBondContact ND2-OG 3.45Å; N202-D235 PolarHBondContact OD1-N 3.37Å; N202-I236 PolarHBondContact OD1-N 2.85Å
203	S	94.2	Very high	88.2	Confident	7 Å²	7	53 Å²	53	5%	0.049	27%	0.27	C	S	.	.			trans	-110.1	168.4	171.7	77.9	0	0	0	0	113.4	S205 G206 F207 D235	S203-S205 PolarHBondContact O-N 3.45Å; S203-S205 PolarHBondContact OG-N 3.32Å; S203-S205 PolarHBondContact OG-OG 3.18Å; S203-G206 PolarHBondContact OG-N 3.23Å; S203-F207 PolarHBondContact N-O 3.22Å; S203-F207 WeakPolarHBondContact OG-CB 3.39Å; S203-F207 PolarHBondContact OG-N 3.25Å; S203-D235 WeakPolarHBondContact CA-OD1 3.47Å
204	N	93	Very high	88.5	Confident	36 Å²	36	53.8 Å²	53.8	19%	0.193	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10	165.8	70.3	-31.2	0	0	0	114.5	V234 D235 Q247 H249 G259 L261	N204-V234 HydrophobicContact CB-CG2 3.99Å; N204-D235 WeakPolarHBondContact CB-OD2 3.49Å; N204-D235 PolarHBondContact N-OD1 3.33Å; N204-Q247 HydrophobicContact CB-CB 4.04Å; N204-Q247 HydrophobicContact CB-CG 3.84Å; N204-H249 PolarHBondContact O-CE1 3.2Å; N204-H249 PolarHBondContact O-NE2 3.25Å; N204-G259 PolarHBondContact ND2-O 3.29Å; N204-L261 WeakPolarHBondContact O-CD1 3.33Å
205	S	92.3	Very high	89	Confident	31 Å²	31	53.1 Å²	53.1	22%	0.217	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	13.9	-174.6	61	0	0	0	0	114.3	S203	S203-S205 PolarHBondContact O-N 3.45Å; S203-S205 PolarHBondContact OG-N 3.32Å; S203-S205 PolarHBondContact OG-OG 3.18Å
206	G	86.2	Confident	89.7	Confident	14 Å²	14	48.2 Å²	48.2	14%	0.144	25%	0.251	C	S	.	.	S	Bend	trans	97.2	0.5	173	0	0	0	0	0	116.1	S203 L268 S272	S203-G206 PolarHBondContact OG-N 3.23Å; G206-L268 WeakPolarHBondContact CA-O 3.36Å; G206-S272 VanDerWaalsContact O-CB 3.23Å; G206-S272 WeakPolarHBondContact O-CB 3.44Å; G206-S272 PolarHBondContact O-OG 2.96Å
207	F	89.3	Confident	90.2	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.39	23%	0.231	S	C	.	.			trans	-66	144.2	173.1	167.4	-92.8	0	0	0	111	N202 S203	N202-F207 CarbonylContact C-O 3.46Å; N202-F207 WeakPolarHBondContact CA-O 3.41Å; N202-F207 WeakPolarHBondContact CB-O 3.34Å; S203-F207 PolarHBondContact N-O 3.22Å; S203-F207 WeakPolarHBondContact OG-CB 3.39Å; S203-F207 PolarHBondContact OG-N 3.25Å
208	V	87.4	Confident	90.7	Very high	24 Å²	24	41.2 Å²	41.2	15%	0.145	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-132.8	132.3	175.5	177.5	0	0	0	0	108.6	L212 M298	V208-L212 HydrophobicContact CG1-CD2 3.35Å; V208-M298 HydrophobicContact CG1-CE 4.21Å
209	D	86.2	Confident	91.2	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	19%	0.192	C	C	.	.			trans	-59.5	139.8	178.9	-174.8	13.5	0	0	0	111.9	K200 Y201 C211 L212	K200-D209 WeakPolarHBondContact O-CB 3.37Å; Y201-D209 PolarHBondContact O-N 2.83Å; D209-C211 PolarHBondContact O-N 2.91Å; D209-C211 PolarHBondContact OD1-N 2.94Å; D209-L212 WeakPolarHBondContact O-CD2 3.34Å
210	E	81	Confident	91.5	Very high	117 Å²	117	34.4 Å²	34.4	55%	0.547	18%	0.179	S	C	.	.	S	Bend	trans	-59.3	-33.1	175.5	-62.1	-178.7	-179.1	0	0	111.2	L212	E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 PolarHBondContact O-N 3.23Å
211	C	80.7	Confident	91.8	Very high	64 Å²	64	30.7 Å²	30.7	43%	0.432	16%	0.163	S	C	.	.	S	Bend	trans	-81.4	72.2	173.9	-163.7	0	0	0	0	111.1	R199 D209 R213	R199-C211 PolarHBondContact NH1-SG 3.25Å; R199-C211 VanDerWaalsContact NH1-SG 3.44Å; D209-C211 PolarHBondContact O-N 2.91Å; D209-C211 PolarHBondContact OD1-N 2.94Å; C211-R213 PolarHBondContact O-N 3.15Å
212	L	80.7	Confident	91.9	Very high	80 Å²	80	30.6 Å²	30.6	42%	0.419	16%	0.163	S	C	.	.			trans	-56.2	108.1	-175.1	-67.7	176.8	0	0	0	113	V208 D209 E210 M298 C300	V208-L212 HydrophobicContact CG1-CD2 3.35Å; D209-L212 WeakPolarHBondContact O-CD2 3.34Å; E210-L212 VanDerWaalsContact C-N 3.26Å; E210-L212 PolarHBondContact O-N 3.23Å; L212-M298 HydrophobicContact CD1-CE 4.1Å; L212-M298 HydrophobicContact CD1-SD 4.05Å; L212-M298 HydrophobicContact CD2-CE 3.82Å; L212-C300 WeakPolarHBondContact CD1-SG 3.44Å
213	R	92.6	Very high	91.9	Very high	46 Å²	46	30.5 Å²	30.5	17%	0.174	16%	0.163	C	C	.	.			trans	-101.4	134.6	169	-67.7	-173.7	67	-154.5	-3.9	110.3	Y201 C211 P216 G240 D241	Y201-R213 HydrophobicContact CD1-CG 4.49Å; Y201-R213 HydrophobicContact CE1-CG 4.29Å; Y201-R213 VanDerWaalsContact CZ-NH1 3.27Å; Y201-R213 PolarHBondContact OH-NH1 3.27Å; C211-R213 PolarHBondContact O-N 3.15Å; R213-P216 HydrophobicContact CB-CG 4.06Å; R213-P216 WeakPolarHBondContact O-CD 3.24Å; R213-G240 VanDerWaalsContact NH1-C 3.34Å; R213-G240 PolarHBondContact NH1-O 3.27Å; R213-D241 IonicContact CZ-OD1 2.83Å; R213-D241 IonicContact CZ-OD2 3.35Å; R213-D241 IonicContact NH1-OD1 3.66Å; R213-D241 IonicContact NH2-OD1 3.54Å; R213-D241 PolarHBondContact NH2-OD1 3.39Å; R213-D241 IonicContact NH2-OD2 2.84Å; R213-D241 PolarHBondContact NH2-OD2 3.43Å
214	N	94.3	Very high	92	Very high	73 Å²	73	30.2 Å²	30.2	39%	0.39	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-47.1	178.8	-65.8	-13.2	0	0	0	113	Q217 T218 N276 L278	N214-Q217 PolarHBondContact O-N 3.48Å; N214-T218 WeakPolarHBondContact O-CB 3.46Å; N214-T218 PolarHBondContact O-N 2.87Å; N214-T218 PolarHBondContact O-OG1 2.92Å; N214-N276 WeakPolarHBondContact CA-ND2 3.01Å; N214-N276 HydrophobicContact CB-CB 4.34Å; N214-N276 WeakPolarHBondContact CB-OD1 3.44Å; N214-N276 PolarHBondContact O-ND2 3.04Å; N214-N276 VanDerWaalsContact O-ND2 3.08Å; N214-N276 WeakPolarHBondContact OD1-CB 3.29Å; N214-L278 HydrophobicContact CB-CB 4.33Å
215	T	96.8	Very high	92	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.055	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-48.7	-170.3	-51.2	0	0	0	0	114.1	F151 K158 V160 T218 F219	F151-T215 HydrophobicContact CE1-CG2 4.2Å; F151-T215 HydrophobicContact CZ-CG2 4.42Å; K158-T215 HydrophobicContact CB-CG2 4.44Å; V160-T215 HydrophobicContact CG1-CG2 3.45Å; V160-T215 VanDerWaalsContact CG1-CG2 3.45Å; T215-T218 PolarHBondContact O-N 3.32Å; T215-F219 WeakPolarHBondContact O-CB 3.48Å; T215-F219 PolarHBondContact O-N 2.9Å
216	P	97.1	Very high	92	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-48	178.2	-25.8	35.2	0	0	0	113.7	Y201 R213 F219 S220 I236	Y201-P216 HydrophobicContact CD1-CG 3.96Å; Y201-P216 HydrophobicContact CD2-CB 4.09Å; Y201-P216 HydrophobicContact CD2-CG 3.7Å; Y201-P216 HydrophobicContact CE1-CG 4.5Å; Y201-P216 HydrophobicContact CE2-CG 4.27Å; Y201-P216 HydrophobicContact CG-CB 3.85Å; Y201-P216 HydrophobicContact CG-CG 3.52Å; R213-P216 HydrophobicContact CB-CG 4.06Å; R213-P216 WeakPolarHBondContact O-CD 3.24Å; P216-F219 WeakPolarHBondContact O-CB 3.35Å; P216-F219 PolarHBondContact O-N 2.84Å; P216-S220 PolarHBondContact O-N 3.13Å; P216-S220 VanDerWaalsContact O-N 3.15Å; P216-S220 PolarHBondContact O-OG 2.92Å; P216-I236 HydrophobicContact CB-CB 4.29Å; P216-I236 HydrophobicContact CB-CG2 3.84Å
217	Q	96.1	Very high	92.2	Very high	13 Å²	13	29 Å²	29	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-39.7	-178.3	-51.7	-49.9	-21.2	0	0	111.9	Y201 N202 N214 F219 S220 H221	Y201-Q217 PolarHBondContact O-NE2 3.21Å; N202-Q217 PolarHBondContact ND2-OE1 3.02Å; N214-Q217 PolarHBondContact O-N 3.48Å; Q217-F219 VanDerWaalsContact C-N 3.32Å; Q217-F219 PolarHBondContact O-N 2.77Å; Q217-S220 PolarHBondContact O-N 2.9Å; Q217-H221 PolarHBondContact O-N 3.3Å
218	T	97.1	Very high	92.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-34.6	174.9	-57.4	0	0	0	0	112.3	F151 N214 T215 F222 N276 L278 C279 L282 L284	F151-T218 HydrophobicContact CE2-CG2 4.26Å; N214-T218 WeakPolarHBondContact O-CB 3.46Å; N214-T218 PolarHBondContact O-N 2.87Å; N214-T218 PolarHBondContact O-OG1 2.92Å; T215-T218 PolarHBondContact O-N 3.32Å; T218-F222 WeakPolarHBondContact O-CB 3.41Å; T218-F222 PolarHBondContact O-N 3.12Å; T218-N276 VanDerWaalsContact OG1-CG 3.29Å; T218-N276 PolarHBondContact OG1-ND2 2.7Å; T218-N276 PolarHBondContact OG1-OD1 2.82Å; T218-L278 HydrophobicContact CG2-CB 4.19Å; T218-L278 HydrophobicContact CG2-CD2 4.14Å; T218-L278 HydrophobicContact CG2-CG 3.84Å; T218-C279 HydrophobicContact CG2-CB 4.46Å; T218-C279 PolarHBondContact OG1-SG 3.08Å; T218-L282 HydrophobicContact CG2-CD1 3.56Å; T218-L284 HydrophobicContact CG2-CD1 3.93Å
219	F	97.5	Very high	92.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-49.3	175.2	171.7	-110.7	0	0	0	110.8	W147 F151 V160 I162 T215 P216 Q217 F222 T223 V233 I236	W147-F219 HydrophobicContact CB-CE2 4.2Å; W147-F219 HydrophobicContact CB-CZ 4.02Å; F151-F219 HydrophobicContact CB-CD2 3.82Å; F151-F219 HydrophobicContact CB-CE2 4.03Å; F151-F219 HydrophobicContact CD1-CD2 4.29Å; F151-F219 HydrophobicContact CD2-CD2 4.02Å; F151-F219 HydrophobicContact CE2-CB 4.43Å; F151-F219 AromaticContact CG-CD2 3.8Å; F151-F219 HydrophobicContact CG-CD2 3.8Å; F151-F219 HydrophobicContact CG-CE2 4.5Å; V160-F219 HydrophobicContact CG2-CD2 4.16Å; V160-F219 HydrophobicContact CG2-CE2 4.34Å; I162-F219 HydrophobicContact CD1-CE1 4.37Å; I162-F219 HydrophobicContact CD1-CZ 4.23Å; T215-F219 WeakPolarHBondContact O-CB 3.48Å; T215-F219 PolarHBondContact O-N 2.9Å; P216-F219 WeakPolarHBondContact O-CB 3.35Å; P216-F219 PolarHBondContact O-N 2.84Å; Q217-F219 VanDerWaalsContact C-N 3.32Å; Q217-F219 PolarHBondContact O-N 2.77Å; F219-F222 WeakPolarHBondContact O-CB 3.35Å; F219-F222 PolarHBondContact O-N 3.44Å; F219-T223 HydrophobicContact CD2-CG2 4.32Å; F219-T223 HydrophobicContact CE1-CG2 4.37Å; F219-T223 HydrophobicContact CE2-CG2 3.86Å; F219-T223 HydrophobicContact CZ-CG2 3.9Å; F219-T223 WeakPolarHBondContact O-CG2 3.5Å; F219-T223 PolarHBondContact O-N 3.35Å; F219-V233 HydrophobicContact CE1-CB 4.17Å; F219-V233 HydrophobicContact CE1-CG1 3.91Å; F219-V233 HydrophobicContact CZ-CG1 4.43Å; F219-I236 HydrophobicContact CD1-CD1 3.63Å; F219-I236 HydrophobicContact CD1-CG1 4.2Å; F219-I236 HydrophobicContact CE1-CD1 3.66Å
220	S	97.8	Very high	92.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.7	-53.6	174.8	-65.7	0	0	0	0	111.6	N202 P216 Q217 F222 T223 F224 L232 V233 F269	N202-S220 PolarHBondContact ND2-OG 3.45Å; P216-S220 PolarHBondContact O-N 3.13Å; P216-S220 VanDerWaalsContact O-N 3.15Å; P216-S220 PolarHBondContact O-OG 2.92Å; Q217-S220 PolarHBondContact O-N 2.9Å; S220-F222 VanDerWaalsContact C-N 3.32Å; S220-F222 PolarHBondContact O-N 3.35Å; S220-T223 PolarHBondContact O-N 3.36Å; S220-T223 PolarHBondContact O-OG1 3.3Å; S220-F224 PolarHBondContact O-N 3.15Å; S220-L232 WeakPolarHBondContact O-CD1 3.16Å; S220-V233 WeakPolarHBondContact CA-O 2.97Å; S220-V233 WeakPolarHBondContact CB-O 3.29Å; S220-V233 PolarHBondContact OG-O 2.99Å; S220-F269 VanDerWaalsContact CB-CE2 3.41Å; S220-F269 VanDerWaalsContact CB-CZ 3.46Å
221	H	97.2	Very high	93.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-39.8	178.2	-174.8	-165.4	0	0	0	113.1	Q217 T223 F224 E225 F269 F270 H273 C275 L284 A285 S589	Q217-H221 PolarHBondContact O-N 3.3Å; H221-T223 VanDerWaalsContact C-N 3.34Å; H221-T223 PolarHBondContact O-N 3.47Å; H221-F224 PolarHBondContact O-N 3.4Å; H221-E225 IonicContact NE2-OE1 3.37Å; H221-E225 PolarHBondContact O-N 3.07Å; H221-F269 HydrophobicContact CB-CE1 4.35Å; H221-F269 HydrophobicContact CB-CZ 4.35Å; H221-F270 AromaticContact CD2-CE1 3.82Å; H221-H273 AromaticContact CE1-NE2 3.79Å; H221-H273 AromaticContact CG-NE2 3.38Å; H221-H273 AromaticContact ND1-CD2 3.94Å; H221-H273 AromaticContact ND1-CE1 3.85Å; H221-H273 AromaticContact ND1-NE2 2.99Å; H221-H273 PolarHBondContact ND1-NE2 2.96Å; H221-C275 PolarHBondContact CE1-SG 2.89Å; H221-L284 HydrophobicContact CB-CD1 4.09Å; H221-A285 PolarHBondContact CE1-O 2.99Å; H221-A285 PolarHBondContact NE2-O 3.17Å; H221-S589 PolarHBondContact NE2-OG 2.85Å
222	F	96.2	Very high	94.3	Very high	5 Å²	5	19 Å²	19	2%	0.022	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.5	168	-91.8	0	0	0	112	A150 F151 H154 T218 F219 S220 F224 R226 L282 L284	A150-F222 HydrophobicContact CB-CE1 4.31Å; A150-F222 HydrophobicContact CB-CZ 4.48Å; F151-F222 HydrophobicContact CB-CD1 3.99Å; F151-F222 HydrophobicContact CB-CE1 3.88Å; F151-F222 HydrophobicContact CD2-CB 3.92Å; F151-F222 AromaticContact CD2-CD1 3.69Å; F151-F222 HydrophobicContact CD2-CD1 3.69Å; F151-F222 HydrophobicContact CD2-CD2 4.2Å; F151-F222 HydrophobicContact CD2-CE1 4.25Å; F151-F222 AromaticContact CD2-CG 3.66Å; F151-F222 HydrophobicContact CD2-CG 3.66Å; F151-F222 HydrophobicContact CE2-CB 4.19Å; F151-F222 HydrophobicContact CE2-CG 4.34Å; F151-F222 HydrophobicContact CG-CD1 4.35Å; H154-F222 AromaticContact CE1-CE2 3.44Å; H154-F222 VanDerWaalsContact CE1-CE2 3.44Å; H154-F222 WeakPolarHBondContact CE1-CE2 3.47Å; H154-F222 AromaticContact CE1-CZ 3.47Å; H154-F222 VanDerWaalsContact CE1-CZ 3.47Å; H154-F222 WeakPolarHBondContact CE1-CZ 3.48Å; H154-F222 AromaticContact ND1-CE2 3.57Å; H154-F222 AromaticContact ND1-CZ 3.6Å; H154-F222 AromaticContact NE2-CE2 3.94Å; T218-F222 WeakPolarHBondContact O-CB 3.41Å; T218-F222 PolarHBondContact O-N 3.12Å; F219-F222 WeakPolarHBondContact O-CB 3.35Å; F219-F222 PolarHBondContact O-N 3.44Å; S220-F222 VanDerWaalsContact C-N 3.32Å; S220-F222 PolarHBondContact O-N 3.35Å; F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 3.32Å; F222-R226 HydrophobicContact CE1-CB 4.34Å; F222-R226 HydrophobicContact CE1-CG 4.4Å; F222-R226 HydrophobicContact CE2-CB 4.35Å; F222-R226 HydrophobicContact CE2-CG 4.39Å; F222-R226 HydrophobicContact CZ-CB 4.18Å; F222-R226 HydrophobicContact CZ-CG 3.98Å; F222-R226 WeakPolarHBondContact O-CB 2.99Å; F222-R226 PolarHBondContact O-N 2.98Å; F222-L282 HydrophobicContact CD2-CD1 4.39Å; F222-L284 HydrophobicContact CB-CD1 4.18Å; F222-L284 HydrophobicContact CB-CD2 4.49Å; F222-L284 HydrophobicContact CD2-CD2 4.32Å
223	T	96.2	Very high	95.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.7	-35.4	179.6	64.2	0	0	0	0	112.4	W147 F219 S220 H221 S227 L231 V233	W147-T223 HydrophobicContact CB-CG2 3.86Å; W147-T223 HydrophobicContact CD2-CG2 4.12Å; W147-T223 HydrophobicContact CE3-CG2 4.07Å; W147-T223 HydrophobicContact CG-CG2 4.06Å; F219-T223 HydrophobicContact CD2-CG2 4.32Å; F219-T223 HydrophobicContact CE1-CG2 4.37Å; F219-T223 HydrophobicContact CE2-CG2 3.86Å; F219-T223 HydrophobicContact CZ-CG2 3.9Å; F219-T223 WeakPolarHBondContact O-CG2 3.5Å; F219-T223 PolarHBondContact O-N 3.35Å; S220-T223 PolarHBondContact O-N 3.36Å; S220-T223 PolarHBondContact O-OG1 3.3Å; H221-T223 VanDerWaalsContact C-N 3.34Å; H221-T223 PolarHBondContact O-N 3.47Å; T223-S227 WeakPolarHBondContact O-CB 3.46Å; T223-S227 PolarHBondContact O-N 3.2Å; T223-S227 VanDerWaalsContact O-N 3.08Å; T223-S227 PolarHBondContact O-OG 3.32Å; T223-L231 CarbonylContact C-O 3.59Å; T223-V233 HydrophobicContact CG2-CB 3.98Å; T223-V233 HydrophobicContact CG2-CG2 3.73Å; T223-V233 PolarHBondContact OG1-N 3.06Å
224	F	95.7	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67.2	-53.9	177.7	-179.6	-100.6	0	0	0	113.2	S220 H221 F222 R226 S227 H229 L231 L232 M266 F270 L606 I609	S220-F224 PolarHBondContact O-N 3.15Å; H221-F224 PolarHBondContact O-N 3.4Å; F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 3.32Å; F224-R226 VanDerWaalsContact C-N 3.32Å; F224-R226 PolarHBondContact O-N 3.39Å; F224-S227 PolarHBondContact O-N 3.22Å; F224-S227 PolarHBondContact O-OG 3.36Å; F224-H229 AromaticContact CD1-CD2 3.69Å; F224-H229 HydrophobicContact CD2-CB 4.41Å; F224-H229 HydrophobicContact CE1-CB 4.03Å; F224-H229 AromaticContact CE1-CD2 3.19Å; F224-H229 WeakPolarHBondContact CE1-CD2 3.44Å; F224-H229 AromaticContact CE1-CG 3.7Å; F224-H229 AromaticContact CE1-NE2 3.9Å; F224-H229 HydrophobicContact CE2-CB 3.63Å; F224-H229 WeakPolarHBondContact CE2-O 3.48Å; F224-H229 HydrophobicContact CZ-CB 3.42Å; F224-H229 VanDerWaalsContact CZ-CB 3.42Å; F224-H229 AromaticContact CZ-CD2 3.56Å; F224-H229 AromaticContact CZ-CG 3.55Å; F224-H229 WeakPolarHBondContact O-CA 3.43Å; F224-H229 PolarHBondContact O-N 2.81Å; F224-L231 VanDerWaalsContact CA-O 3.28Å; F224-L231 WeakPolarHBondContact CA-O 3.26Å; F224-L232 HydrophobicContact CB-CD1 3.77Å; F224-L232 HydrophobicContact CD2-CB 4.33Å; F224-M266 HydrophobicContact CD2-SD 4.28Å; F224-M266 HydrophobicContact CE2-SD 3.88Å; F224-F270 HydrophobicContact CB-CE2 4.44Å; F224-F270 HydrophobicContact CB-CZ 4.12Å; F224-F270 HydrophobicContact CD1-CE1 4.46Å; F224-F270 AromaticContact CD1-CE2 3.55Å; F224-F270 HydrophobicContact CD1-CE2 3.55Å; F224-F270 AromaticContact CD1-CZ 3.27Å; F224-F270 HydrophobicContact CD1-CZ 3.27Å; F224-F270 AromaticContact CD2-CE2 3.89Å; F224-F270 HydrophobicContact CD2-CE2 3.89Å; F224-F270 HydrophobicContact CD2-CZ 4.33Å; F224-F270 AromaticContact CE1-CE2 3.55Å; F224-F270 HydrophobicContact CE1-CE2 3.55Å; F224-F270 AromaticContact CE1-CZ 3.62Å; F224-F270 HydrophobicContact CE1-CZ 3.62Å; F224-F270 AromaticContact CE2-CE2 3.93Å; F224-F270 HydrophobicContact CE2-CE2 3.93Å; F224-F270 AromaticContact CG-CE2 3.69Å; F224-F270 HydrophobicContact CG-CE2 3.69Å; F224-F270 AromaticContact CG-CZ 3.65Å; F224-F270 HydrophobicContact CG-CZ 3.65Å; F224-F270 AromaticContact CZ-CE2 3.75Å; F224-F270 HydrophobicContact CZ-CE2 3.75Å; F224-F270 HydrophobicContact CZ-CZ 4.29Å; F224-L606 HydrophobicContact CE1-CD1 4.41Å; F224-L606 HydrophobicContact CZ-CD1 4.38Å; F224-I609 HydrophobicContact CE2-CD1 3.43Å; F224-I609 VanDerWaalsContact CE2-CD1 3.43Å; F224-I609 HydrophobicContact CZ-CD1 3.4Å
225	E	93.7	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.4	-36.6	-178.8	-66.5	-163	142.8	0	0	112.2	H221 S227 G228 L284 A285 H586 K587 S589	H221-E225 IonicContact NE2-OE1 3.37Å; H221-E225 PolarHBondContact O-N 3.07Å; E225-S227 VanDerWaalsContact C-N 3.32Å; E225-S227 PolarHBondContact O-N 3.32Å; E225-G228 PolarHBondContact O-N 3.36Å; E225-L284 WeakPolarHBondContact OE2-CA 3.25Å; E225-L284 WeakPolarHBondContact OE2-CB 3.24Å; E225-L284 WeakPolarHBondContact OE2-CD2 3.4Å; E225-A285 WeakPolarHBondContact OE1-CA 3.4Å; E225-A285 WeakPolarHBondContact OE1-CB 3.47Å; E225-A285 PolarHBondContact OE1-N 3.4Å; E225-A285 PolarHBondContact OE2-N 3.16Å; E225-H586 IonicContact OE2-CD2 3.62Å; E225-H586 IonicContact OE2-CE1 3.71Å; E225-H586 IonicContact OE2-NE2 3.86Å; E225-H586 PolarHBondContact OE2-NE2 3.29Å; E225-K587 WeakPolarHBondContact CA-O 3.42Å; E225-K587 PolarHBondContact O-N 3.01Å; E225-S589 PolarHBondContact OE1-N 2.99Å; E225-S589 PolarHBondContact OE1-OG 3.32Å; E225-S589 VanDerWaalsContact OE1-OG 3.11Å
226	R	91.9	Very high	95.4	Very high	55 Å²	55	10 Å²	10	21%	0.208	4%	0.042	C	C	.	.	H	α-helix	trans	-72.6	-26.3	-179	-167.6	66.2	-176.9	169.1	10.7	112.6	W147 F222 F224 G228 M582	W147-R226 HydrophobicContact CZ3-CB 3.92Å; W147-R226 HydrophobicContact CZ3-CG 3.93Å; F222-R226 HydrophobicContact CE1-CB 4.34Å; F222-R226 HydrophobicContact CE1-CG 4.4Å; F222-R226 HydrophobicContact CE2-CB 4.35Å; F222-R226 HydrophobicContact CE2-CG 4.39Å; F222-R226 HydrophobicContact CZ-CB 4.18Å; F222-R226 HydrophobicContact CZ-CG 3.98Å; F222-R226 WeakPolarHBondContact O-CB 2.99Å; F222-R226 PolarHBondContact O-N 2.98Å; F224-R226 VanDerWaalsContact C-N 3.32Å; F224-R226 PolarHBondContact O-N 3.39Å; R226-G228 PolarHBondContact O-N 3.19Å; R226-M582 PolarHBondContact NE-O 3.06Å; R226-M582 VanDerWaalsContact NE-O 3.1Å; R226-M582 PolarHBondContact NH2-O 2.79Å
227	S	91.6	Very high	95.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1	174.8	69.7	0	0	0	0	113.8	T223 F224 E225 H229 R230 L231	T223-S227 WeakPolarHBondContact O-CB 3.46Å; T223-S227 PolarHBondContact O-N 3.2Å; T223-S227 VanDerWaalsContact O-N 3.08Å; T223-S227 PolarHBondContact O-OG 3.32Å; F224-S227 PolarHBondContact O-N 3.22Å; F224-S227 PolarHBondContact O-OG 3.36Å; E225-S227 VanDerWaalsContact C-N 3.32Å; E225-S227 PolarHBondContact O-N 3.32Å; S227-H229 VanDerWaalsContact C-N 3.32Å; S227-R230 WeakPolarHBondContact O-CG 3.44Å; S227-R230 PolarHBondContact OG-N 3.32Å; S227-L231 PolarHBondContact OG-N 2.92Å; S227-L231 PolarHBondContact OG-O 3.44Å
228	G	89.9	Confident	95.2	Very high	5 Å²	5	10.7 Å²	10.7	5%	0.052	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	37	-172	0	0	0	0	0	112.1	E225 R226 R230	E225-G228 PolarHBondContact O-N 3.36Å; R226-G228 PolarHBondContact O-N 3.19Å; G228-R230 PolarHBondContact O-N 3.06Å
229	H	93	Very high	94.9	Very high	1 Å²	1	12 Å²	12	1%	0.005	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-1.9	-178.5	-45.4	152	0	0	0	115.5	F224 S227 L231 K587 P588 I605	F224-H229 AromaticContact CD1-CD2 3.69Å; F224-H229 HydrophobicContact CD2-CB 4.41Å; F224-H229 HydrophobicContact CE1-CB 4.03Å; F224-H229 AromaticContact CE1-CD2 3.19Å; F224-H229 WeakPolarHBondContact CE1-CD2 3.44Å; F224-H229 AromaticContact CE1-CG 3.7Å; F224-H229 AromaticContact CE1-NE2 3.9Å; F224-H229 HydrophobicContact CE2-CB 3.63Å; F224-H229 WeakPolarHBondContact CE2-O 3.48Å; F224-H229 HydrophobicContact CZ-CB 3.42Å; F224-H229 VanDerWaalsContact CZ-CB 3.42Å; F224-H229 AromaticContact CZ-CD2 3.56Å; F224-H229 AromaticContact CZ-CG 3.55Å; F224-H229 WeakPolarHBondContact O-CA 3.43Å; F224-H229 PolarHBondContact O-N 2.81Å; S227-H229 VanDerWaalsContact C-N 3.32Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.5Å; H229-K587 PolarHBondContact NE2-O 3.37Å; H229-P588 PolarHBondContact CE1-O 3.08Å; H229-P588 PolarHBondContact NE2-O 3.18Å; H229-I605 HydrophobicContact CB-CB 4.06Å; H229-I605 HydrophobicContact CB-CG2 3.9Å; H229-I605 WeakPolarHBondContact O-CG2 3.37Å
230	R	92.7	Very high	94.7	Very high	105 Å²	105	13.6 Å²	13.6	40%	0.396	7%	0.07	S	C	.	.	S	Bend	trans	-73.7	-22.6	-175	-58.1	-175.6	-131.9	-128.2	10.2	114.1	S227 G228 T250 S251 E584 I605	S227-R230 WeakPolarHBondContact O-CG 3.44Å; S227-R230 PolarHBondContact OG-N 3.32Å; G228-R230 PolarHBondContact O-N 3.06Å; R230-T250 WeakPolarHBondContact O-CA 3.24Å; R230-S251 PolarHBondContact O-N 3.39Å; R230-E584 IonicContact CZ-OE2 3.29Å; R230-E584 IonicContact NE-OE2 2.81Å; R230-E584 IonicContact NH2-OE1 3.86Å; R230-E584 IonicContact NH2-OE2 2.73Å; R230-E584 PolarHBondContact NH2-OE2 3.49Å; R230-I605 HydrophobicContact CB-CD1 4.47Å; R230-I605 HydrophobicContact CG-CD1 3.76Å
231	L	94.6	Very high	94.5	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	136.4	-171.2	-172.8	153.3	0	0	0	112	W147 T223 F224 S227 H229 V233 I248 H249 L578	W147-L231 HydrophobicContact CZ2-CD2 4.21Å; T223-L231 CarbonylContact C-O 3.59Å; F224-L231 VanDerWaalsContact CA-O 3.28Å; F224-L231 WeakPolarHBondContact CA-O 3.26Å; S227-L231 PolarHBondContact OG-N 2.92Å; S227-L231 PolarHBondContact OG-O 3.44Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.5Å; L231-V233 HydrophobicContact CD2-CG2 3.69Å; L231-I248 HydrophobicContact CD1-CG2 3.63Å; L231-I248 HydrophobicContact CD2-CG2 3.87Å; L231-I248 HydrophobicContact CG-CG2 3.49Å; L231-I248 VanDerWaalsContact CG-CG2 3.49Å; L231-H249 WeakPolarHBondContact CA-O 3.13Å; L231-L578 HydrophobicContact CD1-CD1 4.26Å
232	L	96.9	Very high	94.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.6	174.3	175.4	73.3	0	0	0	110.4	S220 F224 V234 I248 H249 M266 F269	S220-L232 WeakPolarHBondContact O-CD1 3.16Å; F224-L232 HydrophobicContact CB-CD1 3.77Å; F224-L232 HydrophobicContact CD2-CB 4.33Å; L232-V234 HydrophobicContact CD1-CG1 4.46Å; L232-V234 HydrophobicContact CD2-CG1 3.72Å; L232-V234 HydrophobicContact CG-CG1 3.83Å; L232-I248 WeakPolarHBondContact O-CA 3.24Å; L232-H249 HydrophobicContact CB-CB 4.44Å; L232-H249 PolarHBondContact N-O 2.76Å; L232-H249 PolarHBondContact O-N 3.01Å; L232-M266 HydrophobicContact CB-CE 4.24Å; L232-M266 HydrophobicContact CB-CG 4.04Å; L232-M266 HydrophobicContact CD2-CB 4.28Å; L232-M266 HydrophobicContact CD2-CG 4.06Å; L232-F269 HydrophobicContact CD1-CD1 3.97Å; L232-F269 HydrophobicContact CD1-CE1 4.08Å; L232-F269 HydrophobicContact CD1-CG 4.39Å; L232-F269 HydrophobicContact CD2-CB 3.62Å; L232-F269 HydrophobicContact CD2-CD1 3.84Å; L232-F269 HydrophobicContact CD2-CG 3.73Å
233	V	98	Very high	94.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.8	174.5	-172.1	0	0	0	0	110.2	A144 W147 F219 S220 T223 L231 I236 P246 I248	A144-V233 HydrophobicContact CB-CG1 4.06Å; W147-V233 HydrophobicContact CB-CG2 4.33Å; W147-V233 HydrophobicContact CG-CG2 4.12Å; F219-V233 HydrophobicContact CE1-CB 4.17Å; F219-V233 HydrophobicContact CE1-CG1 3.91Å; F219-V233 HydrophobicContact CZ-CG1 4.43Å; S220-V233 WeakPolarHBondContact CA-O 2.97Å; S220-V233 WeakPolarHBondContact CB-O 3.29Å; S220-V233 PolarHBondContact OG-O 2.99Å; T223-V233 HydrophobicContact CG2-CB 3.98Å; T223-V233 HydrophobicContact CG2-CG2 3.73Å; T223-V233 PolarHBondContact OG1-N 3.06Å; L231-V233 HydrophobicContact CD2-CG2 3.69Å; V233-I236 HydrophobicContact CG1-CD1 4Å; V233-P246 HydrophobicContact CG1-CB 4.04Å; V233-I248 HydrophobicContact CG2-CG1 4.28Å
234	V	97.8	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-166.1	-178.2	-68.8	0	0	0	0	110.5	N204 L232 I236 Q247 F269	N204-V234 HydrophobicContact CB-CG2 3.99Å; L232-V234 HydrophobicContact CD1-CG1 4.46Å; L232-V234 HydrophobicContact CD2-CG1 3.72Å; L232-V234 HydrophobicContact CG-CG1 3.83Å; V234-I236 PolarHBondContact O-N 3.5Å; V234-Q247 HydrophobicContact CG2-CB 4.17Å; V234-Q247 PolarHBondContact N-O 3.26Å; V234-Q247 PolarHBondContact O-N 3.02Å; V234-F269 HydrophobicContact CG1-CB 4.47Å; V234-F269 HydrophobicContact CG1-CD2 3.96Å; V234-F269 HydrophobicContact CG1-CG 4.35Å
235	D	96.5	Very high	94.2	Very high	18 Å²	18	18.7 Å²	18.7	10%	0.096	10%	0.097	C	C	.	.			trans	52.5	42.8	-168	-86.4	-29.4	0	0	0	111.1	K200 N202 S203 N204 Q237 Q247	K200-D235 WeakPolarHBondContact CE-OD1 3.32Å; K200-D235 IonicContact NZ-OD1 3.85Å; K200-D235 PolarHBondContact NZ-OD1 3.35Å; N202-D235 PolarHBondContact OD1-N 3.37Å; S203-D235 WeakPolarHBondContact CA-OD1 3.47Å; N204-D235 WeakPolarHBondContact CB-OD2 3.49Å; N204-D235 PolarHBondContact N-OD1 3.33Å; D235-Q237 WeakPolarHBondContact O-CG 3.47Å; D235-Q237 PolarHBondContact O-N 3.25Å; D235-Q237 VanDerWaalsContact O-N 3.08Å; D235-Q247 HydrophobicContact CB-CB 3.93Å; D235-Q247 WeakPolarHBondContact OD2-CB 3.27Å
236	I	96.9	Very high	94.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.1	C	C	.	.			trans	-71.8	109.5	179.3	-52.4	-54.8	0	0	0	108.3	Y201 N202 P216 F219 V233 V234 Y243	Y201-I236 WeakPolarHBondContact CB-O 3.04Å; Y201-I236 HydrophobicContact CD2-CG2 4.19Å; Y201-I236 WeakPolarHBondContact CD2-O 3.43Å; Y201-I236 PolarHBondContact N-O 2.85Å; N202-I236 PolarHBondContact OD1-N 2.85Å; P216-I236 HydrophobicContact CB-CB 4.29Å; P216-I236 HydrophobicContact CB-CG2 3.84Å; F219-I236 HydrophobicContact CD1-CD1 3.63Å; F219-I236 HydrophobicContact CD1-CG1 4.2Å; F219-I236 HydrophobicContact CE1-CD1 3.66Å; V233-I236 HydrophobicContact CG1-CD1 4Å; V234-I236 PolarHBondContact O-N 3.5Å; I236-Y243 HydrophobicContact CG2-CD1 3.8Å; I236-Y243 HydrophobicContact CG2-CD2 3.62Å; I236-Y243 HydrophobicContact CG2-CE1 3.76Å; I236-Y243 HydrophobicContact CG2-CE2 3.55Å; I236-Y243 HydrophobicContact CG2-CG 3.75Å
237	Q	94.2	Very high	94.6	Very high	28 Å²	28	17.6 Å²	17.6	13%	0.131	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.3	-176.2	61.4	-174.1	-37.5	0	0	111.5	Y198 R199 K200 D235 Y243 T244 D245	Y198-Q237 HydrophobicContact CE1-CB 4.12Å; Y198-Q237 HydrophobicContact CE1-CG 4.4Å; Y198-Q237 VanDerWaalsContact OH-CG 3.22Å; Y198-Q237 WeakPolarHBondContact OH-CG 3.4Å; Y198-Q237 PolarHBondContact OH-OE1 2.81Å; R199-Q237 CarbonylContact O-C 3.59Å; R199-Q237 VanDerWaalsContact O-CA 3.22Å; R199-Q237 WeakPolarHBondContact O-CA 3.48Å; K200-Q237 HydrophobicContact CB-CB 4.05Å; K200-Q237 HydrophobicContact CG-CB 4.17Å; D235-Q237 WeakPolarHBondContact O-CG 3.47Å; D235-Q237 PolarHBondContact O-N 3.25Å; D235-Q237 VanDerWaalsContact O-N 3.08Å; Q237-Y243 CarbonylContact O-C 3.48Å; Q237-Y243 WeakPolarHBondContact O-CA 3.42Å; Q237-Y243 WeakPolarHBondContact O-CB 3.44Å; Q237-T244 WeakPolarHBondContact CG-O 3.26Å; Q237-T244 PolarHBondContact O-N 3.49Å; Q237-D245 PolarHBondContact NE2-O 3.47Å
238	G	93.1	Very high	94.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.3	-153	178.2	0	0	0	0	0	112.7	R199 L242	R199-G238 PolarHBondContact N-O 3.21Å; R199-G238 PolarHBondContact O-N 3.42Å; G238-L242 WeakPolarHBondContact CA-O 3.48Å
239	V	92.1	Very high	95.3	Very high	29 Å²	29	17.3 Å²	17.3	18%	0.176	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.1	-176.5	179.9	0	0	0	0	109.9	M194 D241 L242	M194-V239 HydrophobicContact CB-CG2 3.94Å; M194-V239 HydrophobicContact SD-CG2 4.48Å; V239-D241 PolarHBondContact O-N 3.06Å; V239-L242 PolarHBondContact N-O 3.35Å; V239-L242 WeakPolarHBondContact O-CB 3.33Å; V239-L242 PolarHBondContact O-N 2.93Å; V239-L242 VanDerWaalsContact O-N 3.13Å
240	G	92.6	Very high	95.4	Very high	33 Å²	33	17.9 Å²	17.9	34%	0.34	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-124	-176.1	0	0	0	0	0	111.5	Y201 R213 Y243	Y201-G240 PolarHBondContact OH-O 3.37Å; Y201-G240 VanDerWaalsContact OH-O 3.09Å; R213-G240 VanDerWaalsContact NH1-C 3.34Å; R213-G240 PolarHBondContact NH1-O 3.27Å; G240-Y243 WeakPolarHBondContact O-CE1 3.47Å
241	D	94.4	Very high	95.4	Very high	34 Å²	34	14.2 Å²	14.2	18%	0.182	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	19.4	177.9	-60.4	-71.4	0	0	0	112.3	K158 K159 V160 D161 R213 V239 Y243	K158-D241 WeakPolarHBondContact CD-OD2 3.15Å; K159-D241 WeakPolarHBondContact O-CB 2.92Å; V160-D241 CarbonylContact C-O 3.3Å; V160-D241 VanDerWaalsContact CA-O 3.31Å; V160-D241 WeakPolarHBondContact CA-O 3.38Å; V160-D241 HydrophobicContact CG1-CB 4.46Å; D161-D241 PolarHBondContact N-O 3.1Å; R213-D241 IonicContact CZ-OD1 2.83Å; R213-D241 IonicContact CZ-OD2 3.35Å; R213-D241 IonicContact NH1-OD1 3.66Å; R213-D241 IonicContact NH2-OD1 3.54Å; R213-D241 PolarHBondContact NH2-OD1 3.39Å; R213-D241 IonicContact NH2-OD2 2.84Å; R213-D241 PolarHBondContact NH2-OD2 3.43Å; V239-D241 PolarHBondContact O-N 3.06Å; D241-Y243 PolarHBondContact OD1-OH 2.95Å
242	L	94.7	Very high	95.3	Very high	56 Å²	56	18 Å²	18	29%	0.293	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.1	174.9	-177.7	61.2	0	0	0	108.5	D161 F163 G238 V239	D161-L242 HydrophobicContact CB-CD1 3.93Å; D161-L242 WeakPolarHBondContact O-CA 3.16Å; F163-L242 HydrophobicContact CD2-CD1 3.96Å; F163-L242 HydrophobicContact CD2-CD2 4.21Å; F163-L242 HydrophobicContact CD2-CG 3.82Å; F163-L242 HydrophobicContact CE1-CD2 4.45Å; F163-L242 HydrophobicContact CE2-CD1 3.73Å; F163-L242 HydrophobicContact CE2-CD2 3.2Å; F163-L242 HydrophobicContact CE2-CG 3.27Å; F163-L242 HydrophobicContact CZ-CD1 4.2Å; F163-L242 HydrophobicContact CZ-CD2 3.38Å; F163-L242 HydrophobicContact CZ-CG 3.94Å; G238-L242 WeakPolarHBondContact CA-O 3.48Å; V239-L242 PolarHBondContact N-O 3.35Å; V239-L242 WeakPolarHBondContact O-CB 3.33Å; V239-L242 PolarHBondContact O-N 2.93Å; V239-L242 VanDerWaalsContact O-N 3.13Å
243	Y	96	Very high	95.1	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	160.5	-168.1	-51.2	-42.2	0	0	0	112.5	V160 D161 I162 F163 Y201 I236 Q237 G240 D241	V160-Y243 HydrophobicContact CB-CD2 4.32Å; V160-Y243 HydrophobicContact CB-CE2 3.73Å; V160-Y243 HydrophobicContact CG1-CE2 3.69Å; D161-Y243 PolarHBondContact O-N 3.21Å; I162-Y243 CarbonylContact C-O 3.6Å; I162-Y243 WeakPolarHBondContact CA-O 3.4Å; I162-Y243 HydrophobicContact CG1-CD2 4.4Å; F163-Y243 PolarHBondContact N-O 2.86Å; Y201-Y243 HydrophobicContact CD2-CE1 4.1Å; Y201-Y243 HydrophobicContact CE2-CD1 4.23Å; Y201-Y243 AromaticContact CE2-CE1 3.75Å; Y201-Y243 HydrophobicContact CE2-CE1 3.75Å; I236-Y243 HydrophobicContact CG2-CD1 3.8Å; I236-Y243 HydrophobicContact CG2-CD2 3.62Å; I236-Y243 HydrophobicContact CG2-CE1 3.76Å; I236-Y243 HydrophobicContact CG2-CE2 3.55Å; I236-Y243 HydrophobicContact CG2-CG 3.75Å; Q237-Y243 CarbonylContact O-C 3.48Å; Q237-Y243 WeakPolarHBondContact O-CA 3.42Å; Q237-Y243 WeakPolarHBondContact O-CB 3.44Å; G240-Y243 WeakPolarHBondContact O-CE1 3.47Å; D241-Y243 PolarHBondContact OD1-OH 2.95Å
244	T	94.5	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	169	170.1	-158.6	0	0	0	0	111.2	Q141 E191 M194 Y198 Q237 P246	Q141-T244 PolarHBondContact NE2-OG1 3.4Å; E191-T244 PolarHBondContact OE2-OG1 3.11Å; M194-T244 HydrophobicContact CE-CG2 3.33Å; Y198-T244 HydrophobicContact CE2-CG2 4.15Å; Q237-T244 WeakPolarHBondContact CG-O 3.26Å; Q237-T244 PolarHBondContact O-N 3.49Å; T244-P246 VanDerWaalsContact C-CD 3.47Å
245	D	94.1	Very high	94.4	Very high	20 Å²	20	25.2 Å²	25.2	11%	0.107	17%	0.165	C	C	.	.	S	Bend	trans	46.3	52.2	177.5	-66.3	-32.2	0	0	0	113.8	R96 K123 Q237	R96-D245 IonicContact CZ-OD1 3.65Å; R96-D245 IonicContact CZ-OD2 3.39Å; R96-D245 IonicContact NH1-OD1 2.75Å; R96-D245 PolarHBondContact NH1-OD1 3.35Å; R96-D245 IonicContact NH1-OD2 2.76Å; R96-D245 IonicContact NH2-OD1 3.39Å; R96-D245 PolarHBondContact NH2-OD1 3.04Å; R96-D245 VanDerWaalsContact NH2-OD1 3.17Å; R96-D245 IonicContact NH2-OD2 4Å; R96-D245 PolarHBondContact NH2-OD2 3.04Å; K123-D245 VanDerWaalsContact NZ-CG 3.3Å; K123-D245 IonicContact NZ-OD1 3.36Å; K123-D245 PolarHBondContact NZ-OD1 3.38Å; K123-D245 IonicContact NZ-OD2 3.49Å; K123-D245 PolarHBondContact NZ-OD2 3.43Å; Q237-D245 PolarHBondContact NE2-O 3.47Å
246	P	96.8	Very high	94.3	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.071	17%	0.169	C	C	.	.			trans	-71.8	166.5	173.5	33.6	-34.9	0	0	0	110.8	L140 Q141 A144 I162 V233 T244	L140-P246 HydrophobicContact CD2-CG 4.01Å; L140-P246 WeakPolarHBondContact CD2-O 3.3Å; Q141-P246 HydrophobicContact CB-CG 4.47Å; Q141-P246 HydrophobicContact CG-CG 4.33Å; A144-P246 HydrophobicContact CB-CB 4.12Å; A144-P246 HydrophobicContact CB-CG 3.51Å; I162-P246 HydrophobicContact CG2-CG 4.36Å; V233-P246 HydrophobicContact CG1-CB 4.04Å; T244-P246 VanDerWaalsContact C-CD 3.47Å
247	Q	97	Very high	94	Very high	20 Å²	20	28.5 Å²	28.5	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147	169	-178.6	58.9	55.6	0	0	109.6	N204 V234 D235 Y256 G259	N204-Q247 HydrophobicContact CB-CB 4.04Å; N204-Q247 HydrophobicContact CB-CG 3.84Å; V234-Q247 HydrophobicContact CG2-CB 4.17Å; V234-Q247 PolarHBondContact N-O 3.26Å; V234-Q247 PolarHBondContact O-N 3.02Å; D235-Q247 HydrophobicContact CB-CB 3.93Å; D235-Q247 WeakPolarHBondContact OD2-CB 3.27Å; Q247-Y256 PolarHBondContact NE2-O 3.12Å; Q247-G259 VanDerWaalsContact CG-O 3.25Å; Q247-G259 WeakPolarHBondContact CG-O 3.37Å; Q247-G259 VanDerWaalsContact NE2-C 3.31Å
248	I	97.3	Very high	93.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.2	176.4	-64.1	-178.9	0	0	0	109	L140 A144 L231 L232 V233 T250 Y256	L140-I248 HydrophobicContact CD2-CD1 4.13Å; L140-I248 HydrophobicContact CD2-CG1 3.89Å; L140-I248 HydrophobicContact CG-CB 4.37Å; L140-I248 HydrophobicContact CG-CD1 4.08Å; L140-I248 HydrophobicContact CG-CG1 4.03Å; A144-I248 HydrophobicContact CB-CD1 4.31Å; L231-I248 HydrophobicContact CD1-CG2 3.63Å; L231-I248 HydrophobicContact CD2-CG2 3.87Å; L231-I248 HydrophobicContact CG-CG2 3.49Å; L231-I248 VanDerWaalsContact CG-CG2 3.49Å; L232-I248 WeakPolarHBondContact O-CA 3.24Å; V233-I248 HydrophobicContact CG2-CG1 4.28Å; I248-T250 HydrophobicContact CG2-CG2 4.32Å; I248-Y256 HydrophobicContact CB-CD1 4.06Å; I248-Y256 HydrophobicContact CB-CD2 4.02Å; I248-Y256 HydrophobicContact CB-CE1 4.36Å; I248-Y256 HydrophobicContact CB-CE2 4.33Å; I248-Y256 HydrophobicContact CB-CG 3.85Å; I248-Y256 HydrophobicContact CD1-CD1 4.08Å; I248-Y256 HydrophobicContact CD1-CE1 3.73Å; I248-Y256 HydrophobicContact CG2-CD1 4.43Å; I248-Y256 HydrophobicContact CG2-CD2 3.71Å; I248-Y256 HydrophobicContact CG2-CE1 4.4Å; I248-Y256 HydrophobicContact CG2-CE2 3.68Å; I248-Y256 HydrophobicContact CG2-CG 4.08Å
249	H	97.7	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.8	165.4	-62.5	-39.4	0	0	0	109.8	N204 L231 L232 G259 N260 L261 G265 M266	N204-H249 PolarHBondContact O-CE1 3.2Å; N204-H249 PolarHBondContact O-NE2 3.25Å; L231-H249 WeakPolarHBondContact CA-O 3.13Å; L232-H249 HydrophobicContact CB-CB 4.44Å; L232-H249 PolarHBondContact N-O 2.76Å; L232-H249 PolarHBondContact O-N 3.01Å; H249-G259 PolarHBondContact CE1-O 3.23Å; H249-G259 VanDerWaalsContact CE1-O 3.22Å; H249-N260 VanDerWaalsContact CA-OD1 3.31Å; H249-N260 WeakPolarHBondContact CA-OD1 3.25Å; H249-L261 PolarHBondContact CE1-N 3.24Å; H249-L261 PolarHBondContact ND1-N 3.27Å; H249-G265 VanDerWaalsContact CD2-C 3.43Å; H249-G265 VanDerWaalsContact CD2-CA 3.49Å; H249-G265 WeakPolarHBondContact CD2-CA 3.4Å; H249-G265 WeakPolarHBondContact NE2-CA 3.44Å; H249-M266 HydrophobicContact CB-CE 4.03Å; H249-M266 HydrophobicContact CB-CG 4.01Å; H249-M266 VanDerWaalsContact O-CE 3.24Å; H249-M266 WeakPolarHBondContact O-CE 3.47Å
250	T	95.8	Very high	93.9	Very high	13 Å²	13	35 Å²	35	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.6	172.7	58.4	0	0	0	0	111.6	R230 I248 D252 G253 V254 Y256 N260 G262 M266	R230-T250 WeakPolarHBondContact O-CA 3.24Å; I248-T250 HydrophobicContact CG2-CG2 4.32Å; T250-D252 WeakPolarHBondContact CB-OD1 3.26Å; T250-D252 PolarHBondContact O-N 3.14Å; T250-D252 PolarHBondContact OG1-OD1 3.26Å; T250-G253 PolarHBondContact O-N 2.71Å; T250-G253 PolarHBondContact OG1-N 3.46Å; T250-V254 PolarHBondContact OG1-N 2.97Å; T250-V254 PolarHBondContact OG1-O 3.18Å; T250-Y256 HydrophobicContact CG2-CD2 3.66Å; T250-Y256 HydrophobicContact CG2-CE2 3.44Å; T250-Y256 VanDerWaalsContact CG2-CE2 3.44Å; T250-N260 PolarHBondContact N-OD1 3.41Å; T250-N260 PolarHBondContact OG1-ND2 2.76Å; T250-G262 CarbonylContact O-C 3.48Å; T250-G262 VanDerWaalsContact O-CA 3.23Å; T250-G262 WeakPolarHBondContact O-CA 3.49Å; T250-M266 VanDerWaalsContact C-CE 3.43Å
251	S	93.3	Very high	94	Very high	27 Å²	27	36 Å²	36	19%	0.189	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.6	-178.2	59.2	0	0	0	0	113	R230	R230-S251 PolarHBondContact O-N 3.39Å
252	D	92.1	Very high	94.1	Very high	86 Å²	86	34.7 Å²	34.7	46%	0.46	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.8	177.8	63.9	-2.5	0	0	0	114	T250 V254 R463	T250-D252 WeakPolarHBondContact CB-OD1 3.26Å; T250-D252 PolarHBondContact O-N 3.14Å; T250-D252 PolarHBondContact OG1-OD1 3.26Å; D252-V254 HydrophobicContact CB-CG2 4.13Å; D252-V254 PolarHBondContact O-N 3.45Å; D252-V254 PolarHBondContact OD1-N 3.18Å; D252-R463 VanDerWaalsContact O-CZ 3.31Å; D252-R463 PolarHBondContact O-NH1 3.2Å; D252-R463 PolarHBondContact O-NH2 3.5Å
253	G	92.2	Very high	94.2	Very high	29 Å²	29	33.1 Å²	33.1	30%	0.299	20%	0.203	S	C	.	.			trans	61.3	22.7	-172.4	0	0	0	0	0	114.9	T250 R463	T250-G253 PolarHBondContact O-N 2.71Å; T250-G253 PolarHBondContact OG1-N 3.46Å; G253-R463 VanDerWaalsContact C-NH2 3.35Å; G253-R463 PolarHBondContact O-NH2 3.46Å
254	V	91.5	Very high	94.2	Very high	78 Å²	78	38 Å²	38	47%	0.473	22%	0.221	S	C	.	.			trans	-100.1	133.6	178.9	-175.7	0	0	0	0	111.2	T250 D252 N260	T250-V254 PolarHBondContact OG1-N 2.97Å; T250-V254 PolarHBondContact OG1-O 3.18Å; D252-V254 HydrophobicContact CB-CG2 4.13Å; D252-V254 PolarHBondContact O-N 3.45Å; D252-V254 PolarHBondContact OD1-N 3.18Å; V254-N260 PolarHBondContact O-ND2 3.41Å
255	G	90.2	Very high	94.2	Very high	45 Å²	45	38 Å²	38	46%	0.464	22%	0.221	S	C	.	.	S	Bend	trans	81.2	-178.4	175.5	0	0	0	0	0	113.7	N257 N260	G255-N257 VanDerWaalsContact C-N 3.27Å; G255-N257 PolarHBondContact O-N 2.96Å; G255-N260 VanDerWaalsContact O-CB 3.29Å; G255-N260 WeakPolarHBondContact O-CB 3.31Å; G255-N260 PolarHBondContact O-ND2 3.31Å
256	Y	93.1	Very high	94.4	Very high	44 Å²	44	37 Å²	37	17%	0.173	22%	0.216	C	C	.	.	S	Bend	trans	60.3	30.1	-179.4	-51.1	-69.8	0	0	0	115.5	L140 E143 Q247 I248 T250	L140-Y256 HydrophobicContact CB-CD1 3.82Å; L140-Y256 HydrophobicContact CB-CE1 4.46Å; L140-Y256 HydrophobicContact CD1-CD1 4.06Å; L140-Y256 HydrophobicContact CD1-CG 4.36Å; L140-Y256 HydrophobicContact CG-CD1 3.65Å; L140-Y256 HydrophobicContact CG-CE1 4.44Å; L140-Y256 HydrophobicContact CG-CG 4.37Å; E143-Y256 PolarHBondContact OE2-OH 3.43Å; E143-Y256 VanDerWaalsContact OE2-OH 3.1Å; Q247-Y256 PolarHBondContact NE2-O 3.12Å; I248-Y256 HydrophobicContact CB-CD1 4.06Å; I248-Y256 HydrophobicContact CB-CD2 4.02Å; I248-Y256 HydrophobicContact CB-CE1 4.36Å; I248-Y256 HydrophobicContact CB-CE2 4.33Å; I248-Y256 HydrophobicContact CB-CG 3.85Å; I248-Y256 HydrophobicContact CD1-CD1 4.08Å; I248-Y256 HydrophobicContact CD1-CE1 3.73Å; I248-Y256 HydrophobicContact CG2-CD1 4.43Å; I248-Y256 HydrophobicContact CG2-CD2 3.71Å; I248-Y256 HydrophobicContact CG2-CE1 4.4Å; I248-Y256 HydrophobicContact CG2-CE2 3.68Å; I248-Y256 HydrophobicContact CG2-CG 4.08Å; T250-Y256 HydrophobicContact CG2-CD2 3.66Å; T250-Y256 HydrophobicContact CG2-CE2 3.44Å; T250-Y256 VanDerWaalsContact CG2-CE2 3.44Å
257	N	91.3	Very high	94.4	Very high	44 Å²	44	36.5 Å²	36.5	24%	0.235	21%	0.212	C	C	.	.			trans	59.9	-175.6	174.8	-58.6	-32.3	0	0	0	113.7	D137 G255 G259 N260	D137-N257 PolarHBondContact OD1-ND2 3.37Å; G255-N257 VanDerWaalsContact C-N 3.27Å; G255-N257 PolarHBondContact O-N 2.96Å; N257-G259 PolarHBondContact O-N 3.41Å; N257-N260 WeakPolarHBondContact O-CB 3.39Å; N257-N260 PolarHBondContact O-N 3.48Å
258	D	90	Very high	94.4	Very high	160 Å²	160	35.9 Å²	35.9	86%	0.856	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.2	-173.8	-57.4	-22.4	0	0	0	113.6	N260	D258-N260 VanDerWaalsContact C-N 3.25Å; D258-N260 PolarHBondContact O-N 3.25Å
259	G	91.8	Very high	94.3	Very high	16 Å²	16	36 Å²	36	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.6	174.7	0	0	0	0	0	114.2	N204 Q247 H249 N257 L261	N204-G259 PolarHBondContact ND2-O 3.29Å; Q247-G259 VanDerWaalsContact CG-O 3.25Å; Q247-G259 WeakPolarHBondContact CG-O 3.37Å; Q247-G259 VanDerWaalsContact NE2-C 3.31Å; H249-G259 PolarHBondContact CE1-O 3.23Å; H249-G259 VanDerWaalsContact CE1-O 3.22Å; N257-G259 PolarHBondContact O-N 3.41Å; G259-L261 PolarHBondContact O-N 3.2Å
260	N	96	Very high	94.3	Very high	17 Å²	17	36 Å²	36	9%	0.091	21%	0.211	C	C	.	.			trans	-77.6	99	173.8	-177.9	0.2	0	0	0	109.9	H249 T250 V254 G255 N257 D258 G262	H249-N260 VanDerWaalsContact CA-OD1 3.31Å; H249-N260 WeakPolarHBondContact CA-OD1 3.25Å; T250-N260 PolarHBondContact N-OD1 3.41Å; T250-N260 PolarHBondContact OG1-ND2 2.76Å; V254-N260 PolarHBondContact O-ND2 3.41Å; G255-N260 VanDerWaalsContact O-CB 3.29Å; G255-N260 WeakPolarHBondContact O-CB 3.31Å; G255-N260 PolarHBondContact O-ND2 3.31Å; N257-N260 WeakPolarHBondContact O-CB 3.39Å; N257-N260 PolarHBondContact O-N 3.48Å; D258-N260 VanDerWaalsContact C-N 3.25Å; D258-N260 PolarHBondContact O-N 3.25Å; N260-G262 PolarHBondContact O-N 3.27Å; N260-G262 PolarHBondContact OD1-N 3.13Å
261	L	94.8	Very high	94.2	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.277	22%	0.215	S	C	.	.			trans	-87.5	13.8	-179.6	-56.8	-178.4	0	0	0	112.5	N204 H249 G259 R264 G265 L268	N204-L261 WeakPolarHBondContact O-CD1 3.33Å; H249-L261 PolarHBondContact CE1-N 3.24Å; H249-L261 PolarHBondContact ND1-N 3.27Å; G259-L261 PolarHBondContact O-N 3.2Å; L261-R264 WeakPolarHBondContact O-CB 3.24Å; L261-R264 PolarHBondContact O-N 3.06Å; L261-G265 PolarHBondContact O-N 3.24Å; L261-L268 HydrophobicContact CD1-CD1 4.49Å
262	G	96.2	Very high	94.1	Very high	7 Å²	7	37 Å²	37	7%	0.072	21%	0.214	C	C	.	.	H	α-helix	trans	59.7	-144.7	177.5	0	0	0	0	0	114	T250 N260 R264 G265 M266	T250-G262 CarbonylContact O-C 3.48Å; T250-G262 VanDerWaalsContact O-CA 3.23Å; T250-G262 WeakPolarHBondContact O-CA 3.49Å; N260-G262 PolarHBondContact O-N 3.27Å; N260-G262 PolarHBondContact OD1-N 3.13Å; G262-R264 PolarHBondContact O-N 3.39Å; G262-G265 PolarHBondContact O-N 3.2Å; G262-M266 PolarHBondContact O-N 3.42Å
263	T	95.7	Very high	94.2	Very high	24 Å²	24	33.3 Å²	33.3	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-30.7	172.4	49.4	0	0	0	0	112.8	G265 M266 A267 Q608 I609	T263-G265 PolarHBondContact O-N 3.21Å; T263-M266 WeakPolarHBondContact O-CB 3.49Å; T263-M266 PolarHBondContact O-N 2.91Å; T263-M266 VanDerWaalsContact O-N 3.16Å; T263-A267 WeakPolarHBondContact O-CB 3.3Å; T263-A267 PolarHBondContact O-N 3.32Å; T263-Q608 HydrophobicContact CG2-CB 4.13Å; T263-I609 HydrophobicContact CG2-CG1 4.35Å
264	R	96	Very high	94.1	Very high	103 Å²	103	35.3 Å²	35.3	39%	0.389	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-41.3	173.7	-176.9	175.3	-179.5	-104.8	5.2	112.9	L261 G262 M266 L268 E612 L616	L261-R264 WeakPolarHBondContact O-CB 3.24Å; L261-R264 PolarHBondContact O-N 3.06Å; G262-R264 PolarHBondContact O-N 3.39Å; R264-M266 VanDerWaalsContact C-N 3.33Å; R264-L268 HydrophobicContact CG-CD1 4.47Å; R264-L268 WeakPolarHBondContact O-CB 3.3Å; R264-L268 WeakPolarHBondContact O-CD1 3.17Å; R264-L268 VanDerWaalsContact O-CG 3.3Å; R264-L268 WeakPolarHBondContact O-CG 3.31Å; R264-L268 PolarHBondContact O-N 3.04Å; R264-E612 HydrophobicContact CB-CG 3.88Å; R264-E612 WeakPolarHBondContact CB-OE1 3.47Å; R264-E612 WeakPolarHBondContact CD-OE1 3.34Å; R264-E612 HydrophobicContact CG-CG 4.3Å; R264-E612 VanDerWaalsContact CG-OE1 3.25Å; R264-E612 WeakPolarHBondContact CG-OE1 3.15Å; R264-L616 HydrophobicContact CG-CD2 4.43Å
265	G	96.5	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-38.9	172.5	0	0	0	0	0	113	H249 L261 G262 T263 F269	H249-G265 VanDerWaalsContact CD2-C 3.43Å; H249-G265 VanDerWaalsContact CD2-CA 3.49Å; H249-G265 WeakPolarHBondContact CD2-CA 3.4Å; H249-G265 WeakPolarHBondContact NE2-CA 3.44Å; L261-G265 PolarHBondContact O-N 3.24Å; G262-G265 PolarHBondContact O-N 3.2Å; T263-G265 PolarHBondContact O-N 3.21Å; G265-F269 PolarHBondContact O-N 2.71Å
266	M	97.6	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-44.9	177.2	-61.3	177.8	179.6	0	0	112.1	F224 L232 H249 T250 G262 T263 R264 L268 F269 F270 I609	F224-M266 HydrophobicContact CD2-SD 4.28Å; F224-M266 HydrophobicContact CE2-SD 3.88Å; L232-M266 HydrophobicContact CB-CE 4.24Å; L232-M266 HydrophobicContact CB-CG 4.04Å; L232-M266 HydrophobicContact CD2-CB 4.28Å; L232-M266 HydrophobicContact CD2-CG 4.06Å; H249-M266 HydrophobicContact CB-CE 4.03Å; H249-M266 HydrophobicContact CB-CG 4.01Å; H249-M266 VanDerWaalsContact O-CE 3.24Å; H249-M266 WeakPolarHBondContact O-CE 3.47Å; T250-M266 VanDerWaalsContact C-CE 3.43Å; G262-M266 PolarHBondContact O-N 3.42Å; T263-M266 WeakPolarHBondContact O-CB 3.49Å; T263-M266 PolarHBondContact O-N 2.91Å; T263-M266 VanDerWaalsContact O-N 3.16Å; R264-M266 VanDerWaalsContact C-N 3.33Å; M266-L268 VanDerWaalsContact C-N 3.32Å; M266-L268 PolarHBondContact O-N 3.3Å; M266-F269 PolarHBondContact O-N 3.48Å; M266-F270 VanDerWaalsContact O-CD2 3.31Å; M266-F270 WeakPolarHBondContact O-CD2 3.38Å; M266-F270 PolarHBondContact O-N 2.96Å; M266-I609 HydrophobicContact CB-CD1 3.85Å; M266-I609 HydrophobicContact CB-CG1 4.04Å; M266-I609 HydrophobicContact SD-CD1 3.89Å; M266-I609 HydrophobicContact SD-CG1 4.48Å
267	A	97.2	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-47.6	173.9	0	0	0	0	0	111	T263 F269 F270 H271 I609 E612 L613 L616	T263-A267 WeakPolarHBondContact O-CB 3.3Å; T263-A267 PolarHBondContact O-N 3.32Å; A267-F269 VanDerWaalsContact C-N 3.33Å; A267-F269 PolarHBondContact O-N 3.45Å; A267-F270 PolarHBondContact O-N 3.41Å; A267-F270 VanDerWaalsContact O-N 3.13Å; A267-H271 PolarHBondContact O-N 3.23Å; A267-I609 HydrophobicContact CB-CG2 4.14Å; A267-E612 HydrophobicContact CB-CB 4.1Å; A267-E612 HydrophobicContact CB-CG 3.92Å; A267-L613 HydrophobicContact CB-CD2 3.86Å; A267-L613 HydrophobicContact CB-CG 3.81Å; A267-L613 WeakPolarHBondContact O-CD2 3.48Å; A267-L616 HydrophobicContact CB-CD1 4.26Å
268	L	96	Very high	94.7	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-40.2	177.4	-80	166.1	0	0	0	114.5	G206 L261 R264 M266 S272 L616 R621 F622	G206-L268 WeakPolarHBondContact CA-O 3.36Å; L261-L268 HydrophobicContact CD1-CD1 4.49Å; R264-L268 HydrophobicContact CG-CD1 4.47Å; R264-L268 WeakPolarHBondContact O-CB 3.3Å; R264-L268 WeakPolarHBondContact O-CD1 3.17Å; R264-L268 VanDerWaalsContact O-CG 3.3Å; R264-L268 WeakPolarHBondContact O-CG 3.31Å; R264-L268 PolarHBondContact O-N 3.04Å; M266-L268 VanDerWaalsContact C-N 3.32Å; M266-L268 PolarHBondContact O-N 3.3Å; L268-S272 PolarHBondContact O-OG 3.47Å; L268-L616 HydrophobicContact CD2-CD1 4.19Å; L268-L616 HydrophobicContact CG-CD1 4.13Å; L268-R621 VanDerWaalsContact CD2-NH2 3.29Å; L268-F622 HydrophobicContact CD2-CE1 4.23Å; L268-F622 HydrophobicContact CD2-CZ 4.44Å
269	F	96.6	Very high	95	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-45.8	174.4	171.2	-95.7	0	0	0	111	S220 H221 L232 V234 G265 M266 A267 S272 H273	S220-F269 VanDerWaalsContact CB-CE2 3.41Å; S220-F269 VanDerWaalsContact CB-CZ 3.46Å; H221-F269 HydrophobicContact CB-CE1 4.35Å; H221-F269 HydrophobicContact CB-CZ 4.35Å; L232-F269 HydrophobicContact CD1-CD1 3.97Å; L232-F269 HydrophobicContact CD1-CE1 4.08Å; L232-F269 HydrophobicContact CD1-CG 4.39Å; L232-F269 HydrophobicContact CD2-CB 3.62Å; L232-F269 HydrophobicContact CD2-CD1 3.84Å; L232-F269 HydrophobicContact CD2-CG 3.73Å; V234-F269 HydrophobicContact CG1-CB 4.47Å; V234-F269 HydrophobicContact CG1-CD2 3.96Å; V234-F269 HydrophobicContact CG1-CG 4.35Å; G265-F269 PolarHBondContact O-N 2.71Å; M266-F269 PolarHBondContact O-N 3.48Å; A267-F269 VanDerWaalsContact C-N 3.33Å; A267-F269 PolarHBondContact O-N 3.45Å; F269-S272 PolarHBondContact O-N 3.17Å; F269-S272 PolarHBondContact O-OG 2.92Å; F269-H273 HydrophobicContact CD1-CB 4.31Å; F269-H273 HydrophobicContact CE1-CB 3.9Å; F269-H273 AromaticContact CE1-CG 3.89Å; F269-H273 HydrophobicContact CE2-CB 4.45Å; F269-H273 HydrophobicContact CZ-CB 3.97Å; F269-H273 AromaticContact CZ-CG 3.81Å; F269-H273 AromaticContact CZ-ND1 3.71Å; F269-H273 WeakPolarHBondContact O-CB 3.19Å; F269-H273 PolarHBondContact O-N 3.34Å
270	F	95.8	Very high	95.2	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-71.5	-32	-177	-80.5	-64.7	0	0	0	114	H221 F224 M266 A267 S272 H273 F287 I609	H221-F270 AromaticContact CD2-CE1 3.82Å; F224-F270 HydrophobicContact CB-CE2 4.44Å; F224-F270 HydrophobicContact CB-CZ 4.12Å; F224-F270 HydrophobicContact CD1-CE1 4.46Å; F224-F270 AromaticContact CD1-CE2 3.55Å; F224-F270 HydrophobicContact CD1-CE2 3.55Å; F224-F270 AromaticContact CD1-CZ 3.27Å; F224-F270 HydrophobicContact CD1-CZ 3.27Å; F224-F270 AromaticContact CD2-CE2 3.89Å; F224-F270 HydrophobicContact CD2-CE2 3.89Å; F224-F270 HydrophobicContact CD2-CZ 4.33Å; F224-F270 AromaticContact CE1-CE2 3.55Å; F224-F270 HydrophobicContact CE1-CE2 3.55Å; F224-F270 AromaticContact CE1-CZ 3.62Å; F224-F270 HydrophobicContact CE1-CZ 3.62Å; F224-F270 AromaticContact CE2-CE2 3.93Å; F224-F270 HydrophobicContact CE2-CE2 3.93Å; F224-F270 AromaticContact CG-CE2 3.69Å; F224-F270 HydrophobicContact CG-CE2 3.69Å; F224-F270 AromaticContact CG-CZ 3.65Å; F224-F270 HydrophobicContact CG-CZ 3.65Å; F224-F270 AromaticContact CZ-CE2 3.75Å; F224-F270 HydrophobicContact CZ-CE2 3.75Å; F224-F270 HydrophobicContact CZ-CZ 4.29Å; M266-F270 VanDerWaalsContact O-CD2 3.31Å; M266-F270 WeakPolarHBondContact O-CD2 3.38Å; M266-F270 PolarHBondContact O-N 2.96Å; A267-F270 PolarHBondContact O-N 3.41Å; A267-F270 VanDerWaalsContact O-N 3.13Å; F270-S272 VanDerWaalsContact C-N 3.28Å; F270-S272 PolarHBondContact O-N 3.4Å; F270-H273 PolarHBondContact O-N 3.19Å; F270-F287 HydrophobicContact CB-CD1 3.76Å; F270-F287 HydrophobicContact CB-CD2 3.96Å; F270-F287 HydrophobicContact CB-CE1 3.73Å; F270-F287 HydrophobicContact CB-CE2 3.92Å; F270-F287 HydrophobicContact CB-CG 3.88Å; F270-F287 HydrophobicContact CB-CZ 3.81Å; F270-F287 HydrophobicContact CD1-CB 3.56Å; F270-F287 HydrophobicContact CD1-CD1 4.16Å; F270-F287 AromaticContact CD1-CD2 3.44Å; F270-F287 HydrophobicContact CD1-CD2 3.44Å; F270-F287 VanDerWaalsContact CD1-CD2 3.44Å; F270-F287 HydrophobicContact CD1-CE2 4.15Å; F270-F287 AromaticContact CD1-CG 3.44Å; F270-F287 HydrophobicContact CD1-CG 3.44Å; F270-F287 VanDerWaalsContact CD1-CG 3.44Å; F270-F287 AromaticContact CD2-CD2 3.97Å; F270-F287 HydrophobicContact CD2-CD2 3.97Å; F270-F287 AromaticContact CD2-CE2 3.9Å; F270-F287 HydrophobicContact CD2-CE2 3.9Å; F270-F287 HydrophobicContact CE1-CB 4Å; F270-F287 AromaticContact CE1-CD2 3.89Å; F270-F287 HydrophobicContact CE1-CD2 3.89Å; F270-F287 HydrophobicContact CE1-CG 4.15Å; F270-F287 HydrophobicContact CE2-CD2 4.37Å; F270-F287 HydrophobicContact CG-CB 4.36Å; F270-F287 HydrophobicContact CG-CD1 4.16Å; F270-F287 AromaticContact CG-CD2 3.5Å; F270-F287 HydrophobicContact CG-CD2 3.5Å; F270-F287 HydrophobicContact CG-CE1 4.35Å; F270-F287 AromaticContact CG-CE2 3.72Å; F270-F287 HydrophobicContact CG-CE2 3.72Å; F270-F287 AromaticContact CG-CG 3.74Å; F270-F287 HydrophobicContact CG-CG 3.74Å; F270-F287 HydrophobicContact CG-CZ 4.15Å; F270-F287 HydrophobicContact CZ-CD2 4.34Å; F270-I609 HydrophobicContact CD2-CG2 4.46Å
271	H	93.8	Very high	95.1	Very high	37 Å²	37	37.8 Å²	37.8	17%	0.171	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-40.7	172.1	178	74.8	0	0	0	112.1	A267 R274 E293 L613 F622	A267-H271 PolarHBondContact O-N 3.23Å; H271-R274 PolarHBondContact O-NH1 3Å; H271-R274 PolarHBondContact O-NH2 3.01Å; H271-E293 IonicContact CE1-OE1 3.29Å; H271-E293 PolarHBondContact CE1-OE1 3.3Å; H271-E293 IonicContact CG-OE1 3.11Å; H271-E293 IonicContact ND1-OE1 2.95Å; H271-E293 PolarHBondContact ND1-OE1 2.83Å; H271-L613 HydrophobicContact CB-CD2 3.82Å; H271-F622 HydrophobicContact CB-CE1 4.27Å; H271-F622 HydrophobicContact CB-CZ 4.09Å; H271-F622 AromaticContact CD2-CD1 3.47Å; H271-F622 VanDerWaalsContact CD2-CD1 3.47Å; H271-F622 WeakPolarHBondContact CD2-CD1 3.21Å; H271-F622 AromaticContact CD2-CE1 3.25Å; H271-F622 WeakPolarHBondContact CD2-CE1 3.46Å; H271-F622 AromaticContact CD2-CZ 3.84Å; H271-F622 AromaticContact CE1-CD1 3.65Å; H271-F622 AromaticContact CE1-CD2 3.9Å; H271-F622 AromaticContact CE1-CE1 3.95Å; H271-F622 AromaticContact CE1-CG 3.61Å; H271-F622 AromaticContact CG-CE1 3.59Å; H271-F622 AromaticContact CG-CZ 3.66Å; H271-F622 AromaticContact ND1-CE2 3.98Å; H271-F622 AromaticContact ND1-CZ 3.9Å; H271-F622 AromaticContact NE2-CD1 3.18Å; H271-F622 WeakPolarHBondContact NE2-CD1 3.21Å; H271-F622 AromaticContact NE2-CE1 3.53Å; H271-F622 AromaticContact NE2-CG 3.6Å
272	S	91.7	Very high	95	Very high	23 Å²	23	36.7 Å²	36.7	16%	0.161	18%	0.175	C	C	.	.	H	α-helix	trans	-94.9	-15.8	-179.6	64.6	0	0	0	0	114.7	G206 L268 F269 F270	G206-S272 VanDerWaalsContact O-CB 3.23Å; G206-S272 WeakPolarHBondContact O-CB 3.44Å; G206-S272 PolarHBondContact O-OG 2.96Å; L268-S272 PolarHBondContact O-OG 3.47Å; F269-S272 PolarHBondContact O-N 3.17Å; F269-S272 PolarHBondContact O-OG 2.92Å; F270-S272 VanDerWaalsContact C-N 3.28Å; F270-S272 PolarHBondContact O-N 3.4Å
273	H	94.1	Very high	94.8	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.042	20%	0.197	C	C	.	.			trans	-71.9	136	179.4	179	65	0	0	0	111.1	H221 F269 F270	H221-H273 AromaticContact CE1-NE2 3.79Å; H221-H273 AromaticContact CG-NE2 3.38Å; H221-H273 AromaticContact ND1-CD2 3.94Å; H221-H273 AromaticContact ND1-CE1 3.85Å; H221-H273 AromaticContact ND1-NE2 2.99Å; H221-H273 PolarHBondContact ND1-NE2 2.96Å; F269-H273 HydrophobicContact CD1-CB 4.31Å; F269-H273 HydrophobicContact CE1-CB 3.9Å; F269-H273 AromaticContact CE1-CG 3.89Å; F269-H273 HydrophobicContact CE2-CB 4.45Å; F269-H273 HydrophobicContact CZ-CB 3.97Å; F269-H273 AromaticContact CZ-CG 3.81Å; F269-H273 AromaticContact CZ-ND1 3.71Å; F269-H273 WeakPolarHBondContact O-CB 3.19Å; F269-H273 PolarHBondContact O-N 3.34Å; F270-H273 PolarHBondContact O-N 3.19Å
274	R	91.4	Very high	94.8	Very high	71 Å²	71	38.3 Å²	38.3	27%	0.268	19%	0.193	S	C	.	.			trans	-126.6	122.8	169.3	-62.5	-66.8	178.8	-80.9	0.4	107.9	H271 N276 E293 M298	H271-R274 PolarHBondContact O-NH1 3Å; H271-R274 PolarHBondContact O-NH2 3.01Å; R274-N276 PolarHBondContact O-N 3.2Å; R274-E293 PolarHBondContact NH2-O 3.39Å; R274-M298 HydrophobicContact CG-SD 4.02Å
275	C	93.8	Very high	94.6	Very high	34 Å²	34	34.3 Å²	34.3	23%	0.23	18%	0.182	C	C	.	.			trans	-58.2	122.9	179.8	-82.7	0	0	0	0	110.8	H221 C279	H221-C275 PolarHBondContact CE1-SG 2.89Å; C275-C279 HydrophobicContact CB-CB 4.08Å
276	N	93.8	Very high	94.5	Very high	18 Å²	18	39.8 Å²	39.8	10%	0.096	21%	0.208	C	C	.	.			trans	-101.3	175	-178.5	69.6	55.4	0	0	0	111.1	N214 T218 R274 L278 C279 K280	N214-N276 WeakPolarHBondContact CA-ND2 3.01Å; N214-N276 HydrophobicContact CB-CB 4.34Å; N214-N276 WeakPolarHBondContact CB-OD1 3.44Å; N214-N276 PolarHBondContact O-ND2 3.04Å; N214-N276 VanDerWaalsContact O-ND2 3.08Å; N214-N276 WeakPolarHBondContact OD1-CB 3.29Å; T218-N276 VanDerWaalsContact OG1-CG 3.29Å; T218-N276 PolarHBondContact OG1-ND2 2.7Å; T218-N276 PolarHBondContact OG1-OD1 2.82Å; R274-N276 PolarHBondContact O-N 3.2Å; N276-L278 PolarHBondContact O-N 3.48Å; N276-L278 VanDerWaalsContact O-N 3.07Å; N276-L278 WeakPolarHBondContact OD1-CA 3.34Å; N276-L278 VanDerWaalsContact OD1-CB 3.28Å; N276-L278 WeakPolarHBondContact OD1-CB 3.41Å; N276-L278 PolarHBondContact OD1-N 3.47Å; N276-C279 WeakPolarHBondContact O-CB 3.29Å; N276-C279 PolarHBondContact O-N 2.94Å; N276-C279 PolarHBondContact OD1-N 3.35Å; N276-K280 PolarHBondContact O-N 3.48Å
277	P	95.6	Very high	94.3	Very high	95 Å²	95	40.1 Å²	40.1	62%	0.617	21%	0.209	S	C	*	.	H	α-helix	trans	-56.2	-27.2	-178.9	-28.5	36.5	0	0	0	114.8	W281	P277-W281 WeakPolarHBondContact O-CB 3.47Å; P277-W281 PolarHBondContact O-N 3.36Å
278	L	95.2	Very high	94.2	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-76.7	-34.6	177	-173.1	60.9	0	0	0	112	F151 P157 N214 T218 N276 K280 W281 L282	F151-L278 HydrophobicContact CZ-CD2 4.28Å; P157-L278 HydrophobicContact CG-CD1 4Å; N214-L278 HydrophobicContact CB-CB 4.33Å; T218-L278 HydrophobicContact CG2-CB 4.19Å; T218-L278 HydrophobicContact CG2-CD2 4.14Å; T218-L278 HydrophobicContact CG2-CG 3.84Å; N276-L278 PolarHBondContact O-N 3.48Å; N276-L278 VanDerWaalsContact O-N 3.07Å; N276-L278 WeakPolarHBondContact OD1-CA 3.34Å; N276-L278 VanDerWaalsContact OD1-CB 3.28Å; N276-L278 WeakPolarHBondContact OD1-CB 3.41Å; N276-L278 PolarHBondContact OD1-N 3.47Å; L278-K280 VanDerWaalsContact C-N 3.33Å; L278-W281 HydrophobicContact CD1-CB 4.45Å; L278-W281 HydrophobicContact CD1-CD2 4.43Å; L278-W281 HydrophobicContact CD1-CE3 3.88Å; L278-W281 PolarHBondContact O-N 3.27Å; L278-L282 PolarHBondContact O-N 3.48Å
279	C	96.1	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-49.6	170.1	-62	0	0	0	0	110.2	T218 C275 N276 W281 L282 G283 L284	T218-C279 HydrophobicContact CG2-CB 4.46Å; T218-C279 PolarHBondContact OG1-SG 3.08Å; C275-C279 HydrophobicContact CB-CB 4.08Å; N276-C279 WeakPolarHBondContact O-CB 3.29Å; N276-C279 PolarHBondContact O-N 2.94Å; N276-C279 PolarHBondContact OD1-N 3.35Å; C279-W281 VanDerWaalsContact C-N 3.32Å; C279-W281 PolarHBondContact O-N 2.96Å; C279-L282 PolarHBondContact O-N 3.49Å; C279-G283 PolarHBondContact O-N 3.2Å; C279-L284 HydrophobicContact CB-CB 4.29Å; C279-L284 HydrophobicContact CB-CD1 4.18Å; C279-L284 PolarHBondContact O-N 3.02Å
280	K	94.8	Very high	94	Very high	148 Å²	148	42 Å²	42	64%	0.643	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-40.3	177	-63.5	-175.3	179.9	-175	0	112.2	N276 L278 L282 G283	N276-K280 PolarHBondContact O-N 3.48Å; L278-K280 VanDerWaalsContact C-N 3.33Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-L282 PolarHBondContact O-N 3.07Å; K280-G283 PolarHBondContact O-N 2.79Å; K280-G283 VanDerWaalsContact O-N 3.12Å
281	W	94.1	Very high	93.9	Very high	148 Å²	148	46.1 Å²	46.1	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-65.2	-35.8	177.7	-177.1	84.9	0	0	0	113	H154 N155 P277 L278 C279 G283	H154-W281 VanDerWaalsContact O-CH2 3.3Å; H154-W281 WeakPolarHBondContact O-CH2 3.2Å; N155-W281 WeakPolarHBondContact O-CH2 3.21Å; P277-W281 WeakPolarHBondContact O-CB 3.47Å; P277-W281 PolarHBondContact O-N 3.36Å; L278-W281 HydrophobicContact CD1-CB 4.45Å; L278-W281 HydrophobicContact CD1-CD2 4.43Å; L278-W281 HydrophobicContact CD1-CE3 3.88Å; L278-W281 PolarHBondContact O-N 3.27Å; C279-W281 VanDerWaalsContact C-N 3.32Å; C279-W281 PolarHBondContact O-N 2.96Å; W281-G283 PolarHBondContact O-N 2.85Å
282	L	93.6	Very high	93.7	Very high	31 Å²	31	46.1 Å²	46.1	16%	0.162	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.6	174.2	-73.9	176.1	0	0	0	113.5	F151 H154 T218 F222 L278 C279 K280 L284	F151-L282 HydrophobicContact CD2-CD1 4.27Å; F151-L282 HydrophobicContact CE2-CD1 3.53Å; F151-L282 HydrophobicContact CZ-CD1 4.24Å; H154-L282 HydrophobicContact CB-CD2 3.73Å; T218-L282 HydrophobicContact CG2-CD1 3.56Å; F222-L282 HydrophobicContact CD2-CD1 4.39Å; L278-L282 PolarHBondContact O-N 3.48Å; C279-L282 PolarHBondContact O-N 3.49Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-L282 PolarHBondContact O-N 3.07Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 HydrophobicContact CB-CD1 4.48Å; L282-L284 HydrophobicContact CB-CD2 4.08Å; L282-L284 HydrophobicContact CB-CG 3.88Å; L282-L284 HydrophobicContact CD1-CD1 4.47Å
283	G	92.4	Very high	93.6	Very high	51 Å²	51	45.2 Å²	45.2	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	26	-175.7	0	0	0	0	0	113.5	C279 K280 W281	C279-G283 PolarHBondContact O-N 3.2Å; K280-G283 PolarHBondContact O-N 2.79Å; K280-G283 VanDerWaalsContact O-N 3.12Å; W281-G283 PolarHBondContact O-N 2.85Å
284	L	94.2	Very high	93.2	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.073	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.9	135.8	175.8	-49.4	-178.2	0	0	0	109.9	T218 H221 F222 E225 C279 L282	T218-L284 HydrophobicContact CG2-CD1 3.93Å; H221-L284 HydrophobicContact CB-CD1 4.09Å; F222-L284 HydrophobicContact CB-CD1 4.18Å; F222-L284 HydrophobicContact CB-CD2 4.49Å; F222-L284 HydrophobicContact CD2-CD2 4.32Å; E225-L284 WeakPolarHBondContact OE2-CA 3.25Å; E225-L284 WeakPolarHBondContact OE2-CB 3.24Å; E225-L284 WeakPolarHBondContact OE2-CD2 3.4Å; C279-L284 HydrophobicContact CB-CB 4.29Å; C279-L284 HydrophobicContact CB-CD1 4.18Å; C279-L284 PolarHBondContact O-N 3.02Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 HydrophobicContact CB-CD1 4.48Å; L282-L284 HydrophobicContact CB-CD2 4.08Å; L282-L284 HydrophobicContact CB-CG 3.88Å; L282-L284 HydrophobicContact CD1-CD1 4.47Å
285	A	93	Very high	92.2	Very high	19 Å²	19	52.1 Å²	52.1	16%	0.157	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.3	146.2	179.5	0	0	0	0	0	110.4	H221 E225 P588 S589 C590	H221-A285 PolarHBondContact CE1-O 2.99Å; H221-A285 PolarHBondContact NE2-O 3.17Å; E225-A285 WeakPolarHBondContact OE1-CA 3.4Å; E225-A285 WeakPolarHBondContact OE1-CB 3.47Å; E225-A285 PolarHBondContact OE1-N 3.4Å; E225-A285 PolarHBondContact OE2-N 3.16Å; A285-P588 HydrophobicContact CB-CB 3.48Å; A285-P588 VanDerWaalsContact CB-CB 3.48Å; A285-S589 PolarHBondContact O-OG 3.47Å; A285-S589 VanDerWaalsContact O-OG 3.05Å; A285-C590 HydrophobicContact CB-CB 4.26Å
286	Q	93.5	Very high	90.9	Very high	115 Å²	115	55.3 Å²	55.3	54%	0.537	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-69.5	136.8	173.6	-175.6	165.6	-9.5	0	0	109.1	C590	Q286-C590 VanDerWaalsContact O-CB 3.3Å; Q286-C590 WeakPolarHBondContact O-CB 3.3Å
287	F	94.6	Very high	89	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.1	138.9	170.6	-174	-88.7	0	0	0	109.1	F270 L289 L606 I609 H610 L613	F270-F287 HydrophobicContact CB-CD1 3.76Å; F270-F287 HydrophobicContact CB-CD2 3.96Å; F270-F287 HydrophobicContact CB-CE1 3.73Å; F270-F287 HydrophobicContact CB-CE2 3.92Å; F270-F287 HydrophobicContact CB-CG 3.88Å; F270-F287 HydrophobicContact CB-CZ 3.81Å; F270-F287 HydrophobicContact CD1-CB 3.56Å; F270-F287 HydrophobicContact CD1-CD1 4.16Å; F270-F287 AromaticContact CD1-CD2 3.44Å; F270-F287 HydrophobicContact CD1-CD2 3.44Å; F270-F287 VanDerWaalsContact CD1-CD2 3.44Å; F270-F287 HydrophobicContact CD1-CE2 4.15Å; F270-F287 AromaticContact CD1-CG 3.44Å; F270-F287 HydrophobicContact CD1-CG 3.44Å; F270-F287 VanDerWaalsContact CD1-CG 3.44Å; F270-F287 AromaticContact CD2-CD2 3.97Å; F270-F287 HydrophobicContact CD2-CD2 3.97Å; F270-F287 AromaticContact CD2-CE2 3.9Å; F270-F287 HydrophobicContact CD2-CE2 3.9Å; F270-F287 HydrophobicContact CE1-CB 4Å; F270-F287 AromaticContact CE1-CD2 3.89Å; F270-F287 HydrophobicContact CE1-CD2 3.89Å; F270-F287 HydrophobicContact CE1-CG 4.15Å; F270-F287 HydrophobicContact CE2-CD2 4.37Å; F270-F287 HydrophobicContact CG-CB 4.36Å; F270-F287 HydrophobicContact CG-CD1 4.16Å; F270-F287 AromaticContact CG-CD2 3.5Å; F270-F287 HydrophobicContact CG-CD2 3.5Å; F270-F287 HydrophobicContact CG-CE1 4.35Å; F270-F287 AromaticContact CG-CE2 3.72Å; F270-F287 HydrophobicContact CG-CE2 3.72Å; F270-F287 AromaticContact CG-CG 3.74Å; F270-F287 HydrophobicContact CG-CG 3.74Å; F270-F287 HydrophobicContact CG-CZ 4.15Å; F270-F287 HydrophobicContact CZ-CD2 4.34Å; F287-L289 HydrophobicContact CD1-CD2 3.79Å; F287-L289 HydrophobicContact CD1-CG 4.13Å; F287-L289 HydrophobicContact CE1-CD2 3.96Å; F287-L289 PolarHBondContact O-N 3.2Å; F287-L606 HydrophobicContact CD2-CD1 4.21Å; F287-L606 HydrophobicContact CE2-CD1 3.72Å; F287-I609 HydrophobicContact CE2-CG2 4.12Å; F287-I609 HydrophobicContact CZ-CG2 4Å; F287-H610 AromaticContact CE1-CE1 3.6Å; F287-H610 AromaticContact CZ-CE1 3.42Å; F287-H610 VanDerWaalsContact CZ-CE1 3.42Å; F287-H610 WeakPolarHBondContact CZ-CE1 3.37Å; F287-H610 AromaticContact CZ-ND1 3.88Å; F287-H610 AromaticContact CZ-NE2 3.69Å; F287-L613 HydrophobicContact CE1-CD1 3.62Å; F287-L613 HydrophobicContact CZ-CD1 3.71Å
288	D	94.8	Very high	86.9	Confident	34 Å²	34	58.6 Å²	58.6	18%	0.182	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-79.3	120.3	-177	-57.5	-54.6	0	0	0	110.4	C590 A591 H610 F672	D288-C590 VanDerWaalsContact OD2-CA 3.31Å; D288-C590 WeakPolarHBondContact OD2-CA 3.17Å; D288-A591 WeakPolarHBondContact OD2-CB 3.32Å; D288-A591 PolarHBondContact OD2-N 3.01Å; D288-H610 PolarHBondContact O-CE1 2.98Å; D288-H610 VanDerWaalsContact O-CE1 3.29Å; D288-F672 HydrophobicContact CB-CZ 4.23Å
289	L	94.7	Very high	84.3	Confident	15 Å²	15	66.3 Å²	66.3	8%	0.079	35%	0.35	C	S	.	.			trans	-118.2	150.6	178.1	-67.8	174.1	0	0	0	109	F287 E293 L294 F672	F287-L289 HydrophobicContact CD1-CD2 3.79Å; F287-L289 HydrophobicContact CD1-CG 4.13Å; F287-L289 HydrophobicContact CE1-CD2 3.96Å; F287-L289 PolarHBondContact O-N 3.2Å; L289-E293 WeakPolarHBondContact CA-OE2 3.42Å; L289-E293 HydrophobicContact CB-CB 4.25Å; L289-E293 WeakPolarHBondContact CB-OE2 3.45Å; L289-E293 WeakPolarHBondContact CD2-OE2 3.44Å; L289-L294 HydrophobicContact CB-CD2 3.93Å; L289-L294 HydrophobicContact CB-CG 4.19Å; L289-L294 HydrophobicContact CD1-CD2 4.03Å; L289-F672 WeakPolarHBondContact O-CZ 3.47Å
290	A	94	Very high	81.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.			trans	-62.7	147.5	175.3	0	0	0	0	0	109.9	S292 E293 L294 A669 F672	A290-S292 PolarHBondContact O-N 3.47Å; A290-S292 VanDerWaalsContact O-N 3.15Å; A290-E293 HydrophobicContact CB-CG 4.1Å; A290-E293 PolarHBondContact N-OE2 3.11Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 2.96Å; A290-L294 PolarHBondContact O-N 3.28Å; A290-A669 HydrophobicContact CB-CB 3.76Å; A290-F672 HydrophobicContact CB-CB 3.93Å; A290-F672 HydrophobicContact CB-CD1 3.7Å; A290-F672 HydrophobicContact CB-CD2 4.48Å; A290-F672 HydrophobicContact CB-CE1 4.37Å; A290-F672 HydrophobicContact CB-CG 3.79Å
291	P	92.4	Very high	78	Confident	88 Å²	88	69 Å²	69	57%	0.571	37%	0.37	S	S	*	.	H	α-helix	trans	-52.1	-39.2	179.2	-29.1	35.9	0	0	0	113.6	E293 L294 D295	P291-E293 VanDerWaalsContact C-N 3.32Å; P291-E293 PolarHBondContact O-N 2.86Å; P291-L294 PolarHBondContact O-N 2.98Å; P291-D295 PolarHBondContact O-N 3.46Å
292	S	89.5	Confident	74.8	Confident	36 Å²	36	70 Å²	70	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-33	176.3	49.7	0	0	0	0	113.9	A290 L294 D666	A290-S292 PolarHBondContact O-N 3.47Å; A290-S292 VanDerWaalsContact O-N 3.15Å; S292-L294 VanDerWaalsContact C-N 3.35Å; S292-D666 WeakPolarHBondContact CB-OD2 3.33Å; S292-D666 PolarHBondContact OG-OD2 2.84Å
293	E	89.9	Confident	71.7	Confident	5 Å²	5	73.6 Å²	73.6	2%	0.023	40%	0.404	C	S	.	.	H	α-helix	trans	-75.2	-25.8	176.4	-61.3	177.6	120.5	0	0	112.4	H271 R274 L289 A290 P291 H617 H673	H271-E293 IonicContact CE1-OE1 3.29Å; H271-E293 PolarHBondContact CE1-OE1 3.3Å; H271-E293 IonicContact CG-OE1 3.11Å; H271-E293 IonicContact ND1-OE1 2.95Å; H271-E293 PolarHBondContact ND1-OE1 2.83Å; R274-E293 PolarHBondContact NH2-O 3.39Å; L289-E293 WeakPolarHBondContact CA-OE2 3.42Å; L289-E293 HydrophobicContact CB-CB 4.25Å; L289-E293 WeakPolarHBondContact CB-OE2 3.45Å; L289-E293 WeakPolarHBondContact CD2-OE2 3.44Å; A290-E293 HydrophobicContact CB-CG 4.1Å; A290-E293 PolarHBondContact N-OE2 3.11Å; A290-E293 WeakPolarHBondContact O-CB 3.47Å; A290-E293 PolarHBondContact O-N 2.96Å; P291-E293 VanDerWaalsContact C-N 3.32Å; P291-E293 PolarHBondContact O-N 2.86Å; E293-H617 IonicContact OE1-CD2 3.17Å; E293-H617 IonicContact OE1-CE1 3.43Å; E293-H617 PolarHBondContact OE1-CE1 2.85Å; E293-H617 IonicContact OE1-NE2 3.37Å; E293-H617 PolarHBondContact OE1-NE2 2.71Å; E293-H673 IonicContact OE1-NE2 3.7Å; E293-H673 PolarHBondContact OE1-NE2 2.97Å; E293-H673 IonicContact OE2-CE1 2.71Å; E293-H673 PolarHBondContact OE2-CE1 3.01Å; E293-H673 IonicContact OE2-NE2 3.92Å; E293-H673 PolarHBondContact OE2-NE2 2.96Å
294	L	86.1	Confident	68.6	Low	85 Å²	85	78 Å²	78	45%	0.445	42%	0.415	S	S	.	.	H	α-helix	trans	-75.3	-29.3	177.8	-65	175.8	0	0	0	112.1	L289 A290 P291 S292	L289-L294 HydrophobicContact CB-CD2 3.93Å; L289-L294 HydrophobicContact CB-CG 4.19Å; L289-L294 HydrophobicContact CD1-CD2 4.03Å; A290-L294 PolarHBondContact O-N 3.28Å; P291-L294 PolarHBondContact O-N 2.98Å; S292-L294 VanDerWaalsContact C-N 3.35Å
295	D	71.1	Confident	65.6	Low	139 Å²	139	85.1 Å²	85.1	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-84.7	-17	-178.8	-71.5	-25.2	0	0	0	113.7	P291 P297	P291-D295 PolarHBondContact O-N 3.46Å; D295-P297 WeakPolarHBondContact O-CD 3.09Å
296	E	65.7	Low	62.6	Low	102 Å²	102	91.1 Å²	91.1	48%	0.477	48%	0.478	S	S	.	.	S	Bend	trans	-58.6	118.2	175.4	-85.7	-92.7	141.2	0	0	110.6	M298	E296-M298 PolarHBondContact O-N 3.39Å
297	P	53	Low	59.5	Low	110 Å²	110	89.9 Å²	89.9	71%	0.714	48%	0.48	S	S	*	.			trans	-66.6	110.1	176	26.1	-30.5	0	0	0	108	D295 Q299	D295-P297 WeakPolarHBondContact O-CD 3.09Å; P297-Q299 PolarHBondContact O-N 2.68Å; P297-Q299 VanDerWaalsContact O-N 3.14Å
298	M	52.1	Low	56.6	Low	71 Å²	71	95.5 Å²	95.5	35%	0.35	52%	0.517	S	S	.	.			trans	-46.3	129.5	164.1	-73.8	-169.7	83.2	0	0	107.3	V208 L212 R274 E296 C300	V208-M298 HydrophobicContact CG1-CE 4.21Å; L212-M298 HydrophobicContact CD1-CE 4.1Å; L212-M298 HydrophobicContact CD1-SD 4.05Å; L212-M298 HydrophobicContact CD2-CE 3.82Å; R274-M298 HydrophobicContact CG-SD 4.02Å; E296-M298 PolarHBondContact O-N 3.39Å; M298-C300 PolarHBondContact O-N 2.86Å
299	Q	41.5	Very low	53.6	Low	175 Å²	175	101 Å²	101	82%	0.818	55%	0.546	S	S	*	.			trans	-60.8	79.5	171.1	-74.3	178.6	-0.8	0	0	108.8	P297	P297-Q299 PolarHBondContact O-N 2.68Å; P297-Q299 VanDerWaalsContact O-N 3.14Å
300	C	31	Very low	50.6	Low	50 Å²	50	106.4 Å²	106.4	34%	0.338	58%	0.582	S	S	.	*			trans	-115	88	175.4	-98.5	0	0	0	0	104.7	L212 M298 Q302	L212-C300 WeakPolarHBondContact CD1-SG 3.44Å; M298-C300 PolarHBondContact O-N 2.86Å; C300-Q302 PolarHBondContact O-N 3.27Å
301	Q	26.3	Very low	47.7	Very low	155 Å²	155	109.8 Å²	109.8	72%	0.724	61%	0.61	S	S	*	*			trans	-67.9	91.1	161.9	-67.6	-169.6	12.9	0	0	107.3	T303	Q301-T303 VanDerWaalsContact C-N 3.25Å; Q301-T303 PolarHBondContact O-N 3.44Å
302	Q	28	Very low	45	Very low	167 Å²	167	115 Å²	115	78%	0.78	63%	0.627	S	S	*	*			trans	-62.1	95.4	162.4	-68.4	-176.6	7.8	0	0	106.8	C300 D304	C300-Q302 PolarHBondContact O-N 3.27Å; Q302-D304 PolarHBondContact O-N 3.15Å
303	T	27	Very low	42.4	Very low	108 Å²	108	122.6 Å²	122.6	66%	0.663	66%	0.658	S	S	*	*			trans	-71.6	85.7	163.3	47.5	0	0	0	0	107.2	Q301 Q305	Q301-T303 VanDerWaalsContact C-N 3.25Å; Q301-T303 PolarHBondContact O-N 3.44Å; T303-Q305 PolarHBondContact O-N 3.03Å
304	D	28.5	Very low	39.5	Very low	143 Å²	143	131.1 Å²	131.1	77%	0.765	70%	0.698	S	S	*	*			trans	-67.5	77.5	166.7	-119.5	-8.1	0	0	0	107.9	Q302 N306	Q302-D304 PolarHBondContact O-N 3.15Å; D304-N306 PolarHBondContact O-N 3.45Å; D304-N306 VanDerWaalsContact O-N 3.12Å
305	Q	31.3	Very low	36.9	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.762	71%	0.71	S	S	*	*			trans	-73.6	103.7	168.4	-68.2	-155.9	2.4	0	0	108.3	T303	T303-Q305 PolarHBondContact O-N 3.03Å
306	N	29	Very low	35.1	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	72%	0.716	S	S	*	*			trans	-44.6	132.7	166.4	-79.6	-49.4	0	0	0	110.2	D304	D304-N306 PolarHBondContact O-N 3.45Å; D304-N306 VanDerWaalsContact O-N 3.12Å
307	P	29.9	Very low	33.3	Very low	89 Å²	89	137.7 Å²	137.7	58%	0.578	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-63.1	133.9	179.1	26	-31.5	0	0	0	109.7
308	P	33	Very low	32.2	Very low	125 Å²	125	139.4 Å²	139.4	81%	0.812	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-67.7	140.1	179.4	27.6	-31.9	0	0	0	110.3
309	N	31.9	Very low	31.1	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.5	-174.4	-150.3	9.3	0	0	0	110.8	A311	N309-A311 PolarHBondContact O-N 3.19Å; N309-A311 VanDerWaalsContact O-N 3.16Å
310	P	31.5	Very low	30.5	Very low	129 Å²	129	143 Å²	143	84%	0.838	77%	0.769	S	S	*	*			trans	-90.1	78.2	179.6	34.8	-29.7	0	0	0	109.6
311	A	33.9	Very low	30.3	Very low	72 Å²	72	145.6 Å²	145.6	60%	0.595	79%	0.787	S	S	*	*			trans	-139.2	129.8	162.5	0	0	0	0	0	106.8	N309	N309-A311 PolarHBondContact O-N 3.19Å; N309-A311 VanDerWaalsContact O-N 3.16Å
312	E	34.8	Very low	30.5	Very low	196 Å²	196	144.5 Å²	144.5	92%	0.916	79%	0.792	S	S	*	*	S	Bend	trans	101.5	128.6	178.3	-54.3	175.6	-167	0	0	115.5
313	E	34.2	Very low	30.5	Very low	196 Å²	196	147.6 Å²	147.6	92%	0.916	80%	0.798	S	S	*	*			trans	90.9	71.2	178	-55.4	-162.2	161.5	0	0	117.9
314	E	30.2	Very low	30.5	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	80%	0.799	S	S	*	*			trans	-64.2	154.6	155.4	-151.4	176.9	-154.9	0	0	112.3
315	V	31.8	Very low	30.6	Very low	113 Å²	113	147.5 Å²	147.5	69%	0.685	81%	0.805	S	S	*	*			trans	87	86.6	160.9	-158	0	0	0	0	118.3
316	N	32.3	Very low	30.6	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	81%	0.813	S	S	*	*				-160.7	112.9	110	-92.6	-37.7	0	0	0	110.9
317	Q	27.4	Very low	30.7	Very low	187 Å²	187	154.3 Å²	154.3	87%	0.874	82%	0.819	S	S	*	*			trans	-92.2	121.1	-167.7	-163.7	175.3	33.3	0	0	109.6
318	V	30.8	Very low	30.9	Very low	146 Å²	146	159.5 Å²	159.5	89%	0.885	83%	0.832	S	S	*	*			trans	-135	101.7	153.1	-176.7	0	0	0	0	108.8
319	D	28.5	Very low	30.8	Very low	152 Å²	152	158.3 Å²	158.3	81%	0.813	83%	0.827	S	S	*	*			trans	32.6	114.2	158.6	-122.7	-16.6	0	0	0	121.7
320	L	28.4	Very low	30.6	Very low	170 Å²	170	160.1 Å²	160.1	89%	0.89	83%	0.828	S	S	*	*			trans	-116.5	105.6	-179.1	-159.9	83.1	0	0	0	108.8
321	S	27.1	Very low	30.4	Very low	105 Å²	105	162 Å²	162	73%	0.734	82%	0.824	S	S	*	*			trans	-140.6	137.4	158.3	62.6	0	0	0	0	109.5
322	T	31.1	Very low	30	Very low	132 Å²	132	170.4 Å²	170.4	81%	0.81	84%	0.84	S	S	*	*			trans	102.4	37.6	176.5	-29.9	0	0	0	0	118.3
323	Y	27.6	Very low	29.8	Very low	232 Å²	232	169.8 Å²	169.8	91%	0.91	83%	0.829	S	S	*	*			trans	-127.7	87.1	155.8	-96.9	-84.2	0	0	0	111.5
324	G	27.7	Very low	29.5	Very low	67 Å²	67	171 Å²	171	69%	0.691	83%	0.825	S	S	*	*			trans	-135.4	131.1	162.4	0	0	0	0	0	108.3
325	M	29.7	Very low	29.4	Very low	181 Å²	181	169 Å²	169	89%	0.892	83%	0.826	S	S	*	*	S	Bend	trans	86.2	89.1	178.4	-50.4	-167	-178.5	0	0	116.3
326	F	32.5	Very low	29.2	Very low	211 Å²	211	170.3 Å²	170.3	93%	0.925	83%	0.828	S	S	*	*				176.2	95.9	113.3	-96	-75.5	0	0	0	109.4
327	R	30.1	Very low	29.1	Very low	242 Å²	242	168.2 Å²	168.2	91%	0.913	83%	0.825	S	S	*	*			trans	-94	128.9	166.4	-96	-176.8	170	-179.5	-2	108.6
328	K	33.7	Very low	29.1	Very low	197 Å²	197	166.8 Å²	166.8	86%	0.857	82%	0.823	S	S	*	*			trans	167.6	85.9	134.7	-91.7	173.6	-176.7	-175.5	0	107.8
329	S	30.9	Very low	29	Very low	101 Å²	101	167.4 Å²	167.4	71%	0.706	82%	0.822	S	S	*	*				84.3	121.4	99.1	54.6	0	0	0	0	112.2
330	K	29.1	Very low	29.2	Very low	186 Å²	186	168 Å²	168	81%	0.809	83%	0.825	S	S	*	*			cis	-171.7	150.8	35	-122.4	169.8	-173.5	-177.6	0	110.6
331	F	26.2	Very low	29.2	Very low	169 Å²	169	168.6 Å²	168.6	74%	0.741	82%	0.823	S	S	*	*			trans	78.5	87.6	163.3	-79.1	-87.6	0	0	0	121.4
332	R	25.5	Very low	29.5	Very low	248 Å²	248	172.8 Å²	172.8	94%	0.936	83%	0.833	S	S	*	*			trans	-137.5	104.4	143.8	-142.1	-179.3	-173.3	-172	2.2	107.6
333	R	31.8	Very low	29.2	Very low	183 Å²	183	171.9 Å²	171.9	69%	0.691	83%	0.832	S	S	*	*			trans	-111.1	112.9	162	-75.8	-173.4	-174.9	177.7	2.8	105.3
334	R	27.1	Very low	29.1	Very low	222 Å²	222	166.5 Å²	166.5	84%	0.838	83%	0.827	S	S	*	*				70	111.2	79.4	-83.6	-167.7	-178.6	173.4	0.1	113.1
335	T	28.6	Very low	29	Very low	141 Å²	141	173.1 Å²	173.1	87%	0.865	84%	0.837	S	S	*	*			trans	-134.9	108.1	137.8	-16	0	0	0	0	107.6
336	I	27.4	Very low	29	Very low	141 Å²	141	170 Å²	170	72%	0.723	83%	0.833	S	S	*	*			trans	-113.3	118.1	160.4	-67.7	170.4	0	0	0	102.3
337	S	28.9	Very low	28.7	Very low	119 Å²	119	166 Å²	166	83%	0.832	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-100.7	121	168.7	178.8	0	0	0	0	108.3
338	L	29.5	Very low	28.5	Very low	158 Å²	158	159.7 Å²	159.7	83%	0.827	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.7	137.9	174	-90.1	140	0	0	0	109.7
339	N	28.3	Very low	28.3	Very low	159 Å²	159	159.4 Å²	159.4	85%	0.85	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-51.2	140.4	166.1	-93.9	-13.3	0	0	0	111.6
340	N	32.1	Very low	28.1	Very low	165 Å²	165	161.7 Å²	161.7	88%	0.882	83%	0.827	S	S	*	*			trans	-130.4	131.3	150.5	-139.8	2.2	0	0	0	110.3
341	Q	29.3	Very low	28.1	Very low	182 Å²	182	163.4 Å²	163.4	85%	0.85	83%	0.829	S	S	*	*			trans	-74.5	132.1	-174.3	-68.7	175.4	-6	0	0	111.3
342	M	31.5	Very low	28.3	Very low	192 Å²	192	158.2 Å²	158.2	95%	0.946	82%	0.824	S	S	*	*			trans	-136.9	130.7	142	-79.7	-168.1	72.3	0	0	109.9
343	S	26.2	Very low	28.7	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	81%	0.812	S	S	*	*			trans	-80.7	128.1	-171	129	0	0	0	0	112
344	C	25.7	Very low	28.6	Very low	120 Å²	120	148.7 Å²	148.7	81%	0.811	82%	0.816	S	S	*	*			trans	-170.7	101.6	136.1	28.9	0	0	0	0	113.8
345	K	25.3	Very low	28.8	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	80%	0.796	S	S	*	*			trans	30.3	101.9	142.4	-57.2	179.7	-178.3	178	0	120
346	S	28.3	Very low	28.7	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	80%	0.796	S	S	*	*				176.1	150.1	123	46	0	0	0	0	111.1
347	P	26.5	Very low	28.6	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	80%	0.797	S	S	*	*			trans	-99.2	114	-166.5	34.4	-25.1	0	0	0	111.9
348	S	27.5	Very low	28.6	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	79%	0.793	S	S	*	*			trans	177.1	139.2	149.6	33.5	0	0	0	0	111.8
349	Q	29.1	Very low	28.4	Very low	191 Å²	191	140.8 Å²	140.8	89%	0.893	79%	0.786	S	S	*	*			trans	73.6	97.8	163.4	-61.7	176.8	2.3	0	0	118.2
350	L	25.1	Very low	28.4	Very low	150 Å²	150	140 Å²	140	79%	0.785	78%	0.778	S	S	*	*			trans	-126.8	132.6	154.6	-110.5	121.7	0	0	0	107.4
351	Y	30.3	Very low	28.3	Very low	221 Å²	221	136.8 Å²	136.8	87%	0.867	77%	0.768	S	S	*	*			trans	143	112.1	141.8	-79.4	-71	0	0	0	114.4
352	G	30.8	Very low	28.2	Very low	61 Å²	61	134.1 Å²	134.1	63%	0.629	76%	0.757	S	S	*	*			trans	149.7	123.3	165.6	0	0	0	0	0	111.1	T354	G352-T354 PolarHBondContact O-N 3.12Å
353	P	33.2	Very low	28	Very low	104 Å²	104	132.9 Å²	132.9	68%	0.675	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-74.5	118.9	178.2	30	-29.1	0	0	0	109.8	V355	P353-V355 PolarHBondContact O-N 3.45Å
354	T	29	Very low	28	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-61.6	124.2	176.3	-48.4	0	0	0	0	110.9	G352 V356	G352-T354 PolarHBondContact O-N 3.12Å; T354-V356 PolarHBondContact O-N 2.78Å
355	V	31.7	Very low	28.1	Very low	70 Å²	70	135.7 Å²	135.7	42%	0.424	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-56	129.5	166.9	176.1	0	0	0	0	109.2	P353 R357	P353-V355 PolarHBondContact O-N 3.45Å; V355-R357 PolarHBondContact O-N 2.91Å
356	V	26.6	Very low	28.1	Very low	142 Å²	142	133.7 Å²	133.7	86%	0.861	76%	0.755	S	S	*	*			trans	-58.9	109.4	168.5	174.6	0	0	0	0	107.5	T354 S358	T354-V356 PolarHBondContact O-N 2.78Å; V356-S358 PolarHBondContact O-N 3.29Å
357	R	26.5	Very low	28	Very low	198 Å²	198	136.3 Å²	136.3	75%	0.747	76%	0.759	S	S	*	*			trans	-67.2	116.1	175.7	-73.9	-178.4	163.4	137.8	3.6	109	V355 S359	V355-R357 PolarHBondContact O-N 2.91Å; R357-S359 PolarHBondContact O-N 3.36Å
358	S	27.2	Very low	28	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	75%	0.754	S	S	*	*			trans	-70	117.2	143	53.9	0	0	0	0	106.4	V356 E360	V356-S358 PolarHBondContact O-N 3.29Å; S358-E360 PolarHBondContact O-N 2.64Å; S358-E360 VanDerWaalsContact O-N 3.12Å
359	S	25.8	Very low	27.9	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	76%	0.757	S	S	*	*			trans	-68.6	101.5	-179.9	46.6	0	0	0	0	110.8	R357	R357-S359 PolarHBondContact O-N 3.36Å
360	E	29	Very low	28	Very low	142 Å²	142	136.2 Å²	136.2	66%	0.664	76%	0.757	S	S	*	*			trans	-122.6	118.6	159.4	-74.9	-179.4	171.4	0	0	108.1	S358	S358-E360 PolarHBondContact O-N 2.64Å; S358-E360 VanDerWaalsContact O-N 3.12Å
361	S	30.2	Very low	28	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	76%	0.757	S	S	*	*			trans	-81.4	138.2	-171.1	51.4	0	0	0	0	112.6
362	M	26.9	Very low	27.8	Very low	127 Å²	127	137.3 Å²	137.3	63%	0.626	75%	0.749	S	S	*	*			trans	-93.2	128.2	-179.7	-147.8	-176.7	-154.3	0	0	110.1	I126	I126-M362 HydrophobicContact CD1-CE 3.88Å; I126-M362 HydrophobicContact CG2-CE 3.81Å
363	L	27.9	Very low	27.6	Very low	165 Å²	165	144.7 Å²	144.7	86%	0.864	76%	0.758	S	S	*	*			trans	-154.1	108	156	-110.4	162.6	0	0	0	110.8
364	M	26.6	Very low	27.3	Very low	175 Å²	175	145.8 Å²	145.8	86%	0.862	77%	0.767	S	S	*	*			trans	-84.7	127.3	168.5	-83.7	-82.3	113.3	0	0	109.1
365	S	26.5	Very low	27.4	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	77%	0.77	S	S	*	*			trans	-129	116.6	161.7	-159.6	0	0	0	0	110.4
366	L	25.2	Very low	27.1	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	79%	0.788	S	S	*	*			trans	-63.3	129.8	164.9	-70.7	147.2	0	0	0	108.3
367	L	27.4	Very low	27.2	Very low	172 Å²	172	146.6 Å²	146.6	90%	0.901	79%	0.787	S	S	*	*			trans	-178	143.4	135.3	-93.7	163.3	0	0	0	111.6
368	S	25.9	Very low	27.2	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	79%	0.786	S	S	*	*			trans	-83.9	147	-164.3	38.7	0	0	0	0	115.8
369	E	25.3	Very low	27.3	Very low	180 Å²	180	145 Å²	145	84%	0.841	79%	0.792	S	S	*	*			trans	21.2	127.2	151.4	-66.5	179.3	145.2	0	0	120.2
370	T	30.6	Very low	27.4	Very low	144 Å²	144	145.3 Å²	145.3	88%	0.883	79%	0.793	S	S	*	*				-179	114.5	118.6	32.6	0	0	0	0	115
371	R	25.2	Very low	27.4	Very low	211 Å²	211	145 Å²	145	80%	0.796	80%	0.796	S	S	*	*			trans	17.8	132.5	138.8	-92.2	-173.9	-168.1	-140.7	8.2	122.7
372	R	27.5	Very low	27.5	Very low	184 Å²	184	148.3 Å²	148.3	69%	0.694	80%	0.8	S	S	*	*				108.7	122.3	126.7	-81.9	-172.4	-131.5	-159.6	1.3	121.3
373	R	25.8	Very low	27.5	Very low	215 Å²	215	146.6 Å²	146.6	81%	0.811	80%	0.801	S	S	*	*			trans	76	114	131.4	-76	-172.6	177.7	178	-2.6	122.2
374	C	26.2	Very low	27.6	Very low	128 Å²	128	147.9 Å²	147.9	87%	0.865	80%	0.8	S	S	*	*			trans	26.6	129.2	131.8	-50.2	0	0	0	0	120.9
375	A	30.9	Very low	27.7	Very low	103 Å²	103	144.5 Å²	144.5	85%	0.851	79%	0.793	S	S	*	*				-166.7	136	129	0	0	0	0	0	112.3
376	S	25.2	Very low	27.7	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	80%	0.795	S	S	*	*			trans	-64.2	146.9	171.6	48.4	0	0	0	0	114.9
377	V	29.9	Very low	27.8	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	79%	0.792	S	S	*	*			trans	-142.6	117.9	152.7	179.9	0	0	0	0	110
378	S	26.1	Very low	27.7	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	79%	0.793	S	S	*	*			trans	-90.8	149.9	163	60.7	0	0	0	0	110.2
379	L	30.4	Very low	27.9	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	80%	0.799	S	S	*	*			trans	-160.5	128.3	149.4	-106.8	149.5	0	0	0	112.1
380	C	27.4	Very low	27.9	Very low	107 Å²	107	139.6 Å²	139.6	72%	0.723	79%	0.791	S	S	*	*			trans	-60.7	175.9	170.8	-39.5	0	0	0	0	112
381	D	29.3	Very low	27.6	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	79%	0.786	S	S	*	*			cis	-171.5	174.4	9.5	-139	-33.7	0	0	0	108.2
382	H	31.9	Very low	27.7	Very low	167 Å²	167	136 Å²	136	77%	0.773	79%	0.791	S	S	*	*			trans	112.2	107.3	153.1	-67.2	-43.9	0	0	0	121.7
383	S	27.5	Very low	27.6	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	80%	0.795	S	S	*	*			trans	-43.9	148.4	156.5	55.9	0	0	0	0	118.2
384	K	29.1	Very low	27.6	Very low	193 Å²	193	130.4 Å²	130.4	84%	0.839	80%	0.795	S	S	*	*				177	144.2	110.7	-97.2	172.2	-176.2	178.4	0	115.1
385	S	28	Very low	27.5	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	78%	0.782	S	S	*	*			trans	75	104.8	144.6	68.5	0	0	0	0	122.5
386	V	26.2	Very low	27.2	Very low	143 Å²	143	133.1 Å²	133.1	87%	0.867	78%	0.784	S	S	*	*				36.8	115.7	114.6	-173.9	0	0	0	0	117.7
387	G	29.2	Very low	27.3	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	78%	0.781	S	S	*	*			trans	-154.7	102.9	156.4	0	0	0	0	0	110
388	Q	24.8	Very low	27.1	Very low	197 Å²	197	134.1 Å²	134.1	92%	0.921	78%	0.779	S	S	*	*			trans	-67.8	129	164.1	-75	172.5	-26.9	0	0	108.6
389	S	28.7	Very low	27.2	Very low	116 Å²	116	135 Å²	135	81%	0.811	78%	0.779	S	S	*	*			trans	-140.6	119.7	151.1	75.1	0	0	0	0	110.5
390	S	25.7	Very low	26.9	Very low	97 Å²	97	130 Å²	130	68%	0.678	77%	0.769	S	S	*	*			trans	-54.7	152	168.3	47.8	0	0	0	0	114.2
391	D	25.4	Very low	27	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	77%	0.772	S	S	*	*			trans	60	106.2	145.3	-56.4	-22	0	0	0	118.7
392	C	27.2	Very low	26.8	Very low	134 Å²	134	129.2 Å²	129.2	91%	0.905	78%	0.775	S	S	*	*			trans	-148.2	99.9	134.1	-112.6	0	0	0	0	109.9	L394	C392-L394 PolarHBondContact O-N 3.42Å
393	V	24.1	Very low	26.6	Very low	130 Å²	130	129 Å²	129	79%	0.788	78%	0.778	S	S	*	*			trans	-62.5	119.5	167	173.9	0	0	0	0	108.6
394	L	27.1	Very low	26.5	Very low	153 Å²	153	129.2 Å²	129.2	80%	0.801	78%	0.78	S	S	*	*			trans	-123.9	102.8	156.1	-77.2	174.8	0	0	0	108	C392 F396	C392-L394 PolarHBondContact O-N 3.42Å; L394-F396 PolarHBondContact O-N 3.22Å
395	S	22.9	Very low	26.5	Very low	85 Å²	85	127.7 Å²	127.7	59%	0.594	77%	0.774	S	S	*	*			trans	-63.2	113.8	171.8	61.1	0	0	0	0	109.6
396	F	26	Very low	26.4	Very low	202 Å²	202	129.5 Å²	129.5	89%	0.886	78%	0.775	S	S	*	*			trans	-95.7	104.3	152.3	-85	-82.3	0	0	0	107.7	L394 S398	L394-F396 PolarHBondContact O-N 3.22Å; F396-S398 PolarHBondContact O-N 3.3Å
397	H	26.9	Very low	26.5	Very low	159 Å²	159	126.8 Å²	126.8	74%	0.736	76%	0.763	S	S	*	*			trans	-57.7	131.5	171.1	-90.3	-88.4	0	0	0	109.9	V399	H397-V399 PolarHBondContact O-N 3.46Å; H397-V399 VanDerWaalsContact O-N 3.13Å
398	S	24.7	Very low	26.6	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	76%	0.758	S	S	*	*			trans	-36.7	112	155.7	179.2	0	0	0	0	110.8	F396	F396-S398 PolarHBondContact O-N 3.3Å
399	V	28.4	Very low	26.8	Very low	122 Å²	122	128.6 Å²	128.6	74%	0.739	75%	0.749	S	S	*	*			trans	-108.1	91.8	155.1	-179	0	0	0	0	104.6	H397 D401	H397-V399 PolarHBondContact O-N 3.46Å; H397-V399 VanDerWaalsContact O-N 3.13Å; V399-D401 PolarHBondContact O-N 3.13Å
400	G	25	Very low	26.8	Very low	62 Å²	62	127 Å²	127	64%	0.639	74%	0.742	S	S	*	*			trans	-67.1	120	161.3	0	0	0	0	0	107.8
401	D	29	Very low	26.9	Very low	150 Å²	150	130.2 Å²	130.2	80%	0.802	75%	0.751	S	S	*	*			trans	-117.2	119.5	158.7	-94.4	-29.7	0	0	0	108.7	V399 L403	V399-D401 PolarHBondContact O-N 3.13Å; D401-L403 PolarHBondContact O-N 3.27Å
402	G	25.7	Very low	26.9	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	75%	0.754	S	S	*	*			trans	-53.1	110.7	-177	0	0	0	0	0	113.8
403	L	27.3	Very low	26.9	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	75%	0.746	S	S	*	*			trans	-118.6	102.2	134.2	-70.6	176.3	0	0	0	106	D401 F405	D401-L403 PolarHBondContact O-N 3.27Å; L403-F405 VanDerWaalsContact C-N 3.33Å; L403-F405 PolarHBondContact O-N 2.79Å
404	S	24.7	Very low	27	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	75%	0.75	S	S	*	*			trans	-56.5	100.8	165.4	51	0	0	0	0	107.9	D406	S404-D406 PolarHBondContact O-N 3.07Å
405	F	28.8	Very low	26.9	Very low	161 Å²	161	139.4 Å²	139.4	71%	0.706	75%	0.754	S	S	*	*			trans	-66.6	86.3	155	-108.7	-90.5	0	0	0	105.7	L403 S407 Y408	L403-F405 VanDerWaalsContact C-N 3.33Å; L403-F405 PolarHBondContact O-N 2.79Å; F405-S407 PolarHBondContact O-N 2.75Å; F405-S407 VanDerWaalsContact O-N 3.07Å; F405-Y408 HydrophobicContact CD1-CD2 4.26Å; F405-Y408 AromaticContact CD1-CE2 3.79Å; F405-Y408 HydrophobicContact CD1-CE2 3.79Å; F405-Y408 AromaticContact CE1-CE2 3.68Å; F405-Y408 HydrophobicContact CE1-CE2 3.68Å
406	D	27.9	Very low	27.2	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	76%	0.763	S	S	*	*			trans	-59.8	113	166.6	-86.7	-28.4	0	0	0	107.1	S404	S404-D406 PolarHBondContact O-N 3.07Å
407	S	27.7	Very low	27.3	Very low	86 Å²	86	136 Å²	136	60%	0.601	75%	0.75	S	S	*	*			trans	37.9	98	155.9	-156.9	0	0	0	0	115.3	F405 D409	F405-S407 PolarHBondContact O-N 2.75Å; F405-S407 VanDerWaalsContact O-N 3.07Å; S407-D409 PolarHBondContact O-N 3.13Å; S407-D409 PolarHBondContact OG-N 3.06Å
408	Y	31.9	Very low	27.2	Very low	178 Å²	178	134.6 Å²	134.6	70%	0.698	76%	0.757	S	S	*	*			trans	-61.9	80.7	142.2	-84.4	-87.2	0	0	0	107	F405 A410	F405-Y408 HydrophobicContact CD1-CD2 4.26Å; F405-Y408 AromaticContact CD1-CE2 3.79Å; F405-Y408 HydrophobicContact CD1-CE2 3.79Å; F405-Y408 AromaticContact CE1-CE2 3.68Å; F405-Y408 HydrophobicContact CE1-CE2 3.68Å; Y408-A410 VanDerWaalsContact C-N 3.32Å; Y408-A410 PolarHBondContact O-N 3.46Å
409	D	27.4	Very low	27.3	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	76%	0.757	S	S	*	*			trans	-56.3	112	148.8	-95.7	-21.6	0	0	0	104.1	S407 L411	S407-D409 PolarHBondContact O-N 3.13Å; S407-D409 PolarHBondContact OG-N 3.06Å; D409-L411 PolarHBondContact O-N 2.96Å
410	A	28.5	Very low	27.3	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	76%	0.762	S	S	*	*			trans	-32.7	116.4	167.4	0	0	0	0	0	107.9	Y408 K412	Y408-A410 VanDerWaalsContact C-N 3.32Å; Y408-A410 PolarHBondContact O-N 3.46Å; A410-K412 PolarHBondContact O-N 3.21Å
411	L	27.5	Very low	27.4	Very low	164 Å²	164	140.2 Å²	140.2	86%	0.859	76%	0.764	S	S	*	*			trans	-54.7	95.5	159.3	-84.9	168.7	0	0	0	103.9	D409 L413	D409-L411 PolarHBondContact O-N 2.96Å; L411-L413 PolarHBondContact O-N 2.85Å
412	K	26	Very low	27.4	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	76%	0.763	S	S	*	*			trans	-55	100.2	170	-89.4	179.7	173.2	175	0	104.2	A410 R414	A410-K412 PolarHBondContact O-N 3.21Å; K412-R414 PolarHBondContact O-N 3.06Å
413	L	28.5	Very low	27.4	Very low	139 Å²	139	144.6 Å²	144.6	73%	0.728	77%	0.767	S	S	*	*			trans	-38.3	108.3	157.8	-85.4	153.4	0	0	0	105.9	L411 E415 W721	L411-L413 PolarHBondContact O-N 2.85Å; L413-E415 VanDerWaalsContact C-N 3.31Å; L413-E415 PolarHBondContact O-N 2.63Å; L413-W721 HydrophobicContact CD2-CH2 4.22Å
414	R	25.3	Very low	27.5	Very low	230 Å²	230	145.9 Å²	145.9	87%	0.868	77%	0.769	S	S	*	*			trans	-61.3	107.8	161.6	-102	-174.1	170.5	-173.3	-1.1	104.7	K412 T416	K412-R414 PolarHBondContact O-N 3.06Å; R414-T416 VanDerWaalsContact C-N 3.26Å; R414-T416 PolarHBondContact O-N 3.01Å
415	E	25.5	Very low	27.5	Very low	191 Å²	191	148.7 Å²	148.7	89%	0.893	78%	0.776	S	S	*	*			trans	-41.3	97.9	153.6	-68.7	173.5	159.8	0	0	107.7	L413 S417	L413-E415 VanDerWaalsContact C-N 3.31Å; L413-E415 PolarHBondContact O-N 2.63Å; E415-S417 PolarHBondContact O-N 3.24Å
416	T	27.9	Very low	27.5	Very low	127 Å²	127	146 Å²	146	78%	0.779	78%	0.777	S	S	*	*			trans	-93.2	93.6	160.5	42.5	0	0	0	0	105.2	R414 C418	R414-T416 VanDerWaalsContact C-N 3.26Å; R414-T416 PolarHBondContact O-N 3.01Å; T416-C418 PolarHBondContact O-N 3.17Å
417	S	28	Very low	27.6	Very low	89 Å²	89	144.1 Å²	144.1	62%	0.622	77%	0.774	S	S	*	*			trans	-43.9	123.2	171.3	51.9	0	0	0	0	111.4	E415 L419	E415-S417 PolarHBondContact O-N 3.24Å; S417-L419 PolarHBondContact O-N 3.25Å; S417-L419 VanDerWaalsContact O-N 3.16Å
418	C	24.7	Very low	27.8	Very low	130 Å²	130	150.7 Å²	150.7	88%	0.878	79%	0.786	S	S	*	*			trans	-52.7	114.5	154.5	-59.9	0	0	0	0	108.7	T416	T416-C418 PolarHBondContact O-N 3.17Å
419	L	28	Very low	27.9	Very low	153 Å²	153	150.1 Å²	150.1	80%	0.801	79%	0.79	S	S	*	*			trans	-125.9	106.5	162.7	-76.6	173.2	0	0	0	107.5	S417	S417-L419 PolarHBondContact O-N 3.25Å; S417-L419 VanDerWaalsContact O-N 3.16Å
420	D	27.4	Very low	28.2	Very low	158 Å²	158	150.7 Å²	150.7	85%	0.845	79%	0.792	S	S	*	*			trans	-56.6	154.1	166.8	-80.6	-43	0	0	0	111.7
421	P	26.9	Very low	28.5	Very low	105 Å²	105	152 Å²	152	68%	0.682	80%	0.796	S	S	*	*			trans	-84.2	154.6	-162.8	34.9	-34.9	0	0	0	112.7
422	P	30	Very low	29.1	Very low	120 Å²	120	148.9 Å²	148.9	78%	0.779	79%	0.786	S	S	*	*			trans	-89.4	115.1	173.5	32.7	-27.3	0	0	0	111.3
423	F	25.5	Very low	29.6	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.864	78%	0.781	S	S	*	*			trans	-62.8	126.4	151.3	-94.7	-93.9	0	0	0	109.5
424	Q	29	Very low	29.9	Very low	187 Å²	187	147.9 Å²	147.9	87%	0.874	79%	0.789	S	S	*	*			trans	-127.8	112.9	157.4	-81.5	-154.3	-5.5	0	0	111.4
425	L	24.6	Very low	30.1	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	79%	0.787	S	S	*	*			trans	-70.6	131.2	156.4	-88.1	121	0	0	0	109.6
426	S	28.8	Very low	30.6	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	79%	0.787	S	S	*	*				159.4	132.7	105.4	62.4	0	0	0	0	114.5
427	S	30.6	Very low	30.7	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.789	S	S	*	*			trans	83.4	113	136.9	-62	0	0	0	0	122.4
428	R	32.2	Very low	31	Very low	225 Å²	225	141.9 Å²	141.9	85%	0.849	79%	0.793	S	S	*	*			trans	78.3	126.1	135	-68.1	179.2	-178.1	-161.8	0	115.5
429	Q	33.3	Very low	31.3	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	80%	0.798	S	S	*	*				-173.5	146.7	51.5	-122.8	165.7	-11.8	0	0	111.3
430	L	33.1	Very low	31.5	Very low	147 Å²	147	142 Å²	142	77%	0.77	80%	0.796	S	S	*	*			trans	86.4	78.6	148.7	-60	157.2	0	0	0	120.6
431	S	35.3	Very low	31.7	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	80%	0.797	S	S	*	*				31.1	164.1	110.7	-44.7	0	0	0	0	122.4
432	P	40.5	Very low	32	Very low	99 Å²	99	145.5 Å²	145.5	64%	0.643	80%	0.802	S	S	*	*			cis	-146.5	-172.4	-47.4	41	-21.6	0	0	0	114.5
433	D	35.5	Very low	31.7	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	80%	0.801	S	S	*	*			trans	101.5	107	149.9	-58	-23.3	0	0	0	120.4
434	L	35.9	Very low	32.2	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	79%	0.793	S	S	*	*				-173.8	109.7	104.4	-92.9	161.7	0	0	0	111.5
435	N	30.2	Very low	32.5	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	79%	0.789	S	S	*	*			trans	-75.3	154.5	166.3	-84.8	-39.7	0	0	0	111.1
436	I	35.5	Very low	33	Very low	176 Å²	176	137.4 Å²	137.4	90%	0.903	78%	0.781	S	S	*	*				-160.8	134.3	127.9	-91.9	146.8	0	0	0	109.4
437	S	30	Very low	33.1	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	78%	0.782	S	S	*	*			trans	-110.9	162.8	-167.8	52	0	0	0	0	113.3
438	G	33.7	Very low	33.3	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	79%	0.785	S	S	*	*			trans	145.7	94.8	153.7	0	0	0	0	0	112.9
439	Q	31.1	Very low	33	Very low	210 Å²	210	138.1 Å²	138.1	98%	0.981	78%	0.779	S	S	*	*				67.5	126.9	87.7	-78.8	-162.9	-8.3	0	0	117
440	G	32.4	Very low	33	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	79%	0.787	S	S	*	*			trans	126.9	86.1	152.2	0	0	0	0	0	115.2
441	Q	31.7	Very low	32.7	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	79%	0.792	S	S	*	*				75.8	125.8	94.9	-112.6	-176.5	3.3	0	0	117.4
442	I	33.4	Very low	32.5	Very low	153 Å²	153	139.2 Å²	139.2	79%	0.785	79%	0.79	S	S	*	*			trans	101	114.4	147	-56.4	156.1	0	0	0	118.6
443	C	24.1	Very low	32.1	Very low	113 Å²	113	140.9 Å²	140.9	76%	0.764	80%	0.798	S	S	*	*			trans	-72.4	-179.9	165.3	-122	0	0	0	0	111.7
444	P	35.9	Very low	31.8	Very low	106 Å²	106	140 Å²	140	69%	0.688	80%	0.798	S	S	*	*			cis	-143.7	166.5	5.3	28.1	-2.3	0	0	0	118.5
445	Q	34.9	Very low	31.6	Very low	173 Å²	173	137.2 Å²	137.2	81%	0.808	79%	0.79	S	S	*	*			trans	69.1	155.8	140.8	-69.3	-61.3	-14.6	0	0	121.5
446	P	34.5	Very low	31.5	Very low	98 Å²	98	139.9 Å²	139.9	64%	0.636	79%	0.794	S	S	*	*				-122.6	177.7	-127.1	41	-24.2	0	0	0	114.3
447	I	32.1	Very low	31.3	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	79%	0.79	S	S	*	*			trans	176.7	122.9	141.8	-91.1	154.2	0	0	0	111.6
448	Q	33	Very low	31.3	Very low	160 Å²	160	140 Å²	140	75%	0.748	79%	0.788	S	S	*	*			trans	64.2	119.4	143.3	-67.1	175.5	-6.2	0	0	124.2
449	N	27.8	Very low	31	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	80%	0.795	S	S	*	*				71.4	110.9	129.9	-64.8	-10.1	0	0	0	119.8
450	F	32.5	Very low	30.9	Very low	217 Å²	217	139.1 Å²	139.1	95%	0.952	78%	0.782	S	S	*	*				-153.2	128.8	128	-102.5	-76.5	0	0	0	111.3
451	S	26.9	Very low	30.7	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	79%	0.789	S	S	*	*			trans	-60.8	140	176.2	-58	0	0	0	0	113.4
452	S	30.5	Very low	30.6	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	79%	0.785	S	S	*	*			trans	-166.6	105.4	156.8	167.4	0	0	0	0	112.7
453	V	32.4	Very low	30.2	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	78%	0.777	S	S	*	*			trans	67.7	107.7	138.7	-168.3	0	0	0	0	119.1
454	V	29.1	Very low	30.3	Very low	122 Å²	122	144.8 Å²	144.8	74%	0.739	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.6	133.4	171.6	175.6	0	0	0	0	112.2
455	P	31.7	Very low	30	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-93.9	120.2	151	30	-18.9	0	0	0	109.7	Q457	P455-Q457 PolarHBondContact O-N 3.35Å
456	K	29.4	Very low	29.7	Very low	206 Å²	206	140.8 Å²	140.8	90%	0.896	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63	117.1	168.7	-76	-179.9	172.8	-176.4	0	109
457	Q	30.1	Very low	29.3	Very low	175 Å²	175	139.6 Å²	139.6	82%	0.818	78%	0.782	S	S	*	*			trans	-106	149.6	161.4	-79.4	-149.7	-29.3	0	0	109.6	P455	P455-Q457 PolarHBondContact O-N 3.35Å
458	P	29.7	Very low	29.1	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	78%	0.777	S	S	*	*			trans	-76.3	143.6	-162	31.6	-32.9	0	0	0	111.6	S460	P458-S460 PolarHBondContact O-N 2.81Å
459	D	28.7	Very low	29.1	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	77%	0.774	S	S	*	*			trans	-48.4	110.4	175.5	-63.6	-51.4	0	0	0	111.3	R461	D459-R461 VanDerWaalsContact C-N 3.32Å; D459-R461 PolarHBondContact O-N 3.35Å
460	S	28.3	Very low	29	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	78%	0.779	S	S	*	*			trans	-65.5	99.2	155.4	55.3	0	0	0	0	106.4	P458 N462	P458-S460 PolarHBondContact O-N 2.81Å; S460-N462 VanDerWaalsContact C-N 3.27Å; S460-N462 PolarHBondContact O-N 3.27Å
461	R	28.4	Very low	28.9	Very low	238 Å²	238	129 Å²	129	90%	0.898	76%	0.76	S	S	*	*			trans	-59.7	97.4	167.5	-84.2	-178.2	171.7	172.7	-3.5	107.6	D459 R463	D459-R461 VanDerWaalsContact C-N 3.32Å; D459-R461 PolarHBondContact O-N 3.35Å; R461-R463 PolarHBondContact O-N 2.87Å; R461-R463 VanDerWaalsContact O-N 3.11Å
462	N	28.5	Very low	28.9	Very low	148 Å²	148	130 Å²	130	79%	0.791	76%	0.76	S	S	*	*			trans	-47.1	118	156	-78.4	-19	0	0	0	106.8	S460 A464	S460-N462 VanDerWaalsContact C-N 3.27Å; S460-N462 PolarHBondContact O-N 3.27Å; N462-A464 PolarHBondContact O-N 2.76Å
463	R	26.2	Very low	28.7	Very low	165 Å²	165	127 Å²	127	62%	0.623	75%	0.746	S	S	*	*			trans	-72	82.6	179.3	-159.6	176.3	-149	175.6	0.7	107	D252 G253 R461 A465	D252-R463 VanDerWaalsContact O-CZ 3.31Å; D252-R463 PolarHBondContact O-NH1 3.2Å; D252-R463 PolarHBondContact O-NH2 3.5Å; G253-R463 VanDerWaalsContact C-NH2 3.35Å; G253-R463 PolarHBondContact O-NH2 3.46Å; R461-R463 PolarHBondContact O-N 2.87Å; R461-R463 VanDerWaalsContact O-N 3.11Å; R463-A465 PolarHBondContact O-N 3.1Å
464	A	26.5	Very low	28.5	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	75%	0.748	S	S	*	*			trans	-63.6	94.9	153.3	0	0	0	0	0	105.3	N462 S466	N462-A464 PolarHBondContact O-N 2.76Å; A464-S466 PolarHBondContact O-N 3.09Å
465	A	28.5	Very low	28.3	Very low	84 Å²	84	132.7 Å²	132.7	69%	0.694	75%	0.749	S	S	*	*			trans	-47.5	124.9	154.7	0	0	0	0	0	105.7	R463 G467	R463-A465 PolarHBondContact O-N 3.1Å; A465-G467 PolarHBondContact O-N 3.46Å
466	S	29.5	Very low	28	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	75%	0.75	S	S	*	*			trans	-45.5	107	172.2	45.3	0	0	0	0	108.5	A464 D468	A464-S466 PolarHBondContact O-N 3.09Å; S466-D468 VanDerWaalsContact C-N 3.26Å; S466-D468 PolarHBondContact O-N 3.02Å
467	G	26.4	Very low	27.8	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	74%	0.743	S	S	*	*			trans	-63.6	92.6	169.4	0	0	0	0	0	108	A465	A465-G467 PolarHBondContact O-N 3.46Å
468	D	27.7	Very low	27.6	Very low	122 Å²	122	130.4 Å²	130.4	65%	0.652	74%	0.743	S	S	*	*			trans	-155.1	48.1	168	-99.3	-24	0	0	0	108.4	S466	S466-D468 VanDerWaalsContact C-N 3.26Å; S466-D468 PolarHBondContact O-N 3.02Å
469	S	31.5	Very low	27.4	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	74%	0.742	S	S	*	*			trans	-91.1	97.5	153.1	64.6	0	0	0	0	107.3	Y471	S469-Y471 PolarHBondContact O-N 2.99Å
470	G	26.8	Very low	27.3	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	74%	0.737	S	S	*	*			trans	-67.8	58.7	166.6	0	0	0	0	0	111.7
471	Y	30.3	Very low	27.1	Very low	139 Å²	139	131.5 Å²	131.5	55%	0.545	74%	0.744	S	S	.	*			trans	-103.9	83	166.9	-130	-94.1	0	0	0	107.5	S469 G473	S469-Y471 PolarHBondContact O-N 2.99Å; Y471-G473 PolarHBondContact O-N 3.21Å
472	V	26	Very low	27	Very low	143 Å²	143	124.9 Å²	124.9	87%	0.867	73%	0.734	S	S	*	*			trans	-76.7	73.2	159.1	-174.7	0	0	0	0	106.1	R474	V472-R474 PolarHBondContact O-N 3.1Å
473	G	26.7	Very low	26.9	Very low	41 Å²	41	124.8 Å²	124.8	42%	0.423	73%	0.734	S	S	.	*			trans	-60	120.2	165.4	0	0	0	0	0	107.6	Y471 I475	Y471-G473 PolarHBondContact O-N 3.21Å; G473-I475 PolarHBondContact O-N 3.32Å
474	R	27.6	Very low	26.9	Very low	231 Å²	231	125.3 Å²	125.3	87%	0.872	75%	0.748	S	S	*	*			trans	-50.7	109	174.7	-87.7	177.1	170.6	157	-2.5	109.1	V472 N476	V472-R474 PolarHBondContact O-N 3.1Å; R474-N476 PolarHBondContact O-N 3.27Å
475	I	25.7	Very low	26.9	Very low	145 Å²	145	126 Å²	126	74%	0.744	75%	0.745	S	S	*	*			trans	-67.8	95.5	169.7	-59.5	170.9	0	0	0	107.4	G473 L477	G473-I475 PolarHBondContact O-N 3.32Å; I475-L477 HydrophobicContact CG2-CB 4.42Å; I475-L477 HydrophobicContact CG2-CD1 3.91Å; I475-L477 HydrophobicContact CG2-CG 4.38Å; I475-L477 PolarHBondContact O-N 3.49Å
476	N	25.9	Very low	26.8	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	75%	0.75	S	S	*	*			trans	-82.6	94.4	157.7	-84.5	-21	0	0	0	107.6	R474 I478	R474-N476 PolarHBondContact O-N 3.27Å; N476-I478 PolarHBondContact O-N 2.82Å
477	L	25.5	Very low	26.8	Very low	144 Å²	144	128.9 Å²	128.9	75%	0.754	75%	0.754	S	S	*	*			trans	-63.2	94.4	171.3	-128.2	129.5	0	0	0	108.4	I475 Q479	I475-L477 HydrophobicContact CG2-CB 4.42Å; I475-L477 HydrophobicContact CG2-CD1 3.91Å; I475-L477 HydrophobicContact CG2-CG 4.38Å; I475-L477 PolarHBondContact O-N 3.49Å; L477-Q479 PolarHBondContact O-N 3.01Å; L477-Q479 VanDerWaalsContact O-N 3.16Å
478	I	26.4	Very low	26.7	Very low	160 Å²	160	136.2 Å²	136.2	82%	0.821	76%	0.759	S	S	*	*			trans	-80.4	94.4	166.9	-60	178.7	0	0	0	106.9	N476	N476-I478 PolarHBondContact O-N 2.82Å
479	Q	24.8	Very low	26.7	Very low	158 Å²	158	134.8 Å²	134.8	74%	0.738	76%	0.759	S	S	*	*			trans	-65.4	128.5	173.8	-156.3	172.5	-12.7	0	0	109.2	L477 C481	L477-Q479 PolarHBondContact O-N 3.01Å; L477-Q479 VanDerWaalsContact O-N 3.16Å; Q479-C481 PolarHBondContact O-N 2.98Å
480	P	25.1	Very low	26.6	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	77%	0.767	S	S	*	*			trans	-71.2	104.5	175	27.4	-29.6	0	0	0	108.4	S482	P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.98Å
481	C	25.2	Very low	26.5	Very low	129 Å²	129	143.7 Å²	143.7	87%	0.872	77%	0.767	S	S	*	*			trans	-77.3	83.3	174	-132.1	0	0	0	0	109	Q479 D483	Q479-C481 PolarHBondContact O-N 2.98Å; C481-D483 PolarHBondContact O-N 3.35Å
482	S	26.1	Very low	26.4	Very low	99 Å²	99	145 Å²	145	69%	0.692	78%	0.782	S	S	*	*			trans	-83.4	94.3	159.3	50.5	0	0	0	0	107.8	P480	P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.98Å
483	D	25.8	Very low	26.4	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	78%	0.779	S	S	*	*			trans	178	113.4	153.4	-87.4	-27.2	0	0	0	109.2	C481	C481-D483 PolarHBondContact O-N 3.35Å
484	L	28	Very low	26.7	Very low	176 Å²	176	146.5 Å²	146.5	92%	0.921	80%	0.798	S	S	*	*			trans	-174.5	145.3	140.4	-95.5	151.4	0	0	0	110.6
485	P	26.4	Very low	26.7	Very low	110 Å²	110	138.7 Å²	138.7	71%	0.714	79%	0.789	S	S	*	*			trans	-91.6	154.6	-153.1	36.2	-35.8	0	0	0	114.3
486	V	24.8	Very low	26.7	Very low	131 Å²	131	140.7 Å²	140.7	79%	0.794	79%	0.793	S	S	*	*			trans	-46.7	132.3	167.6	176.7	0	0	0	0	112.2
487	S	30.5	Very low	27	Very low	123 Å²	123	141 Å²	141	86%	0.86	80%	0.795	S	S	*	*			trans	-146.4	132.5	153.1	-77.3	0	0	0	0	110.5
488	R	24.4	Very low	27.1	Very low	228 Å²	228	141.8 Å²	141.8	86%	0.86	79%	0.794	S	S	*	*			trans	-78.6	158.1	-165.7	-75.1	173.8	162.4	168.5	-5.7	114
489	S	26.4	Very low	27.4	Very low	92 Å²	92	141.6 Å²	141.6	64%	0.643	80%	0.795	S	S	*	*			trans	68.3	117.6	138.1	52.7	0	0	0	0	119.5
490	H	29.9	Very low	27.4	Very low	182 Å²	182	138.8 Å²	138.8	84%	0.843	79%	0.792	S	S	*	*				-176.9	132.6	96.1	-103.5	-81.8	0	0	0	111.9
491	E	24.8	Very low	27.7	Very low	183 Å²	183	141.5 Å²	141.5	86%	0.855	80%	0.796	S	S	*	*			trans	-63.2	142.7	167.5	-60.2	168.1	140.8	0	0	111.6
492	I	28.7	Very low	27.8	Very low	167 Å²	167	142.9 Å²	142.9	86%	0.856	80%	0.795	S	S	*	*			trans	-147	120.2	140.4	-60.4	-172.1	0	0	0	108.8
493	A	25.7	Very low	27.9	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	81%	0.805	S	S	*	*			trans	-92.5	141	167.5	0	0	0	0	0	111.1
494	S	32.9	Very low	27.9	Very low	117 Å²	117	145 Å²	145	82%	0.818	81%	0.807	S	S	*	*			trans	-175.3	127.3	159.5	54.7	0	0	0	0	106.3
495	G	28.4	Very low	28.1	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	80%	0.797	S	S	*	*			cis	131.3	117.9	21.3	0	0	0	0	0	107.1
496	F	25.9	Very low	28.2	Very low	188 Å²	188	142 Å²	142	83%	0.825	80%	0.802	S	S	*	*			trans	52.7	129	160.4	-76.8	-97.7	0	0	0	118.4
497	D	30.9	Very low	28.3	Very low	150 Å²	150	141.1 Å²	141.1	80%	0.802	80%	0.802	S	S	*	*				-158	138.4	76.1	-107	-26.5	0	0	0	113.7
498	Q	28.2	Very low	28.3	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	80%	0.799	S	S	*	*			trans	-80.9	137.4	162.1	-78.2	169.1	-23.1	0	0	109.5
499	N	31.8	Very low	28.4	Very low	156 Å²	156	136.3 Å²	136.3	83%	0.834	80%	0.798	S	S	*	*			trans	-154.7	102.5	145.9	-98.2	-35.1	0	0	0	111.7
500	C	25.7	Very low	28.7	Very low	99 Å²	99	137.5 Å²	137.5	67%	0.669	80%	0.801	S	S	*	*				45	121.8	124.5	-141.2	0	0	0	0	118.8
501	M	31.4	Very low	28.5	Very low	171 Å²	171	136 Å²	136	84%	0.842	80%	0.799	S	S	*	*				-174.1	115.8	108.2	-88.6	-59.5	164.1	0	0	109.8
502	N	26.5	Very low	28.8	Very low	158 Å²	158	134.3 Å²	134.3	85%	0.845	80%	0.795	S	S	*	*			trans	-69.3	133.6	164.8	-77.4	-38.7	0	0	0	110
503	L	29.6	Very low	28.6	Very low	171 Å²	171	131.5 Å²	131.5	90%	0.895	79%	0.79	S	S	*	*			trans	-138.3	99.8	155.3	-91.9	162.9	0	0	0	109
504	S	25.7	Very low	28.9	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	79%	0.787	S	S	*	*			trans	-65.2	136.2	157.6	49.4	0	0	0	0	110.1
505	G	30.7	Very low	28.6	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	79%	0.79	S	S	*	*			trans	-172.5	91.1	174.7	0	0	0	0	0	113.7
506	D	29.9	Very low	28.5	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	80%	0.797	S	S	*	*			trans	56	106.5	141.6	-61.9	-17.8	0	0	0	121.7
507	S	26.3	Very low	28.7	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	80%	0.795	S	S	*	*			trans	-30.5	123.5	140.6	45.5	0	0	0	0	115.1
508	T	30.9	Very low	28.5	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	79%	0.792	S	S	*	*			trans	-137.5	114.7	146.5	45.7	0	0	0	0	110
509	S	26.7	Very low	28.9	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	80%	0.795	S	S	*	*			trans	-67.1	129.8	167.2	54	0	0	0	0	110
510	V	31.7	Very low	28.8	Very low	118 Å²	118	136.5 Å²	136.5	72%	0.715	79%	0.788	S	S	*	*			trans	-124.8	101	161	-174.8	0	0	0	0	107.8	L512	V510-L512 HydrophobicContact CG1-CD1 4.03Å; V510-L512 PolarHBondContact O-N 3.25Å
511	D	26	Very low	29.1	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	79%	0.79	S	S	*	*			trans	-57.7	119.3	159.9	-97.4	-37.5	0	0	0	108.9
512	L	30.7	Very low	29.1	Very low	147 Å²	147	137.4 Å²	137.4	77%	0.77	79%	0.792	S	S	*	*			trans	-113.8	94.9	157.2	-114.1	104.4	0	0	0	108.9	V510 V514	V510-L512 HydrophobicContact CG1-CD1 4.03Å; V510-L512 PolarHBondContact O-N 3.25Å; L512-V514 PolarHBondContact O-N 3.41Å
513	S	25.6	Very low	29.2	Very low	107 Å²	107	133 Å²	133	75%	0.748	79%	0.785	S	S	*	*			trans	-71.4	107.8	166.7	-41.1	0	0	0	0	109.4
514	V	31.1	Very low	29.2	Very low	123 Å²	123	133.1 Å²	133.1	75%	0.745	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-101.6	118.1	164.7	179.1	0	0	0	0	108.7	L512 I516	L512-V514 PolarHBondContact O-N 3.41Å; V514-I516 PolarHBondContact O-N 2.94Å
515	R	27.6	Very low	29.5	Very low	233 Å²	233	139 Å²	139	88%	0.879	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.1	120.6	-176.6	-70.8	177.8	-178.4	177.8	0.4	110.9	S517	R515-S517 PolarHBondContact O-N 3.3Å
516	I	25.6	Very low	29.2	Very low	163 Å²	163	140.8 Å²	140.8	84%	0.836	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.5	122.8	159.2	-63	170.8	0	0	0	107.9	V514	V514-I516 PolarHBondContact O-N 2.94Å
517	S	31.2	Very low	29.2	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	79%	0.792	S	S	*	*			trans	-110.6	115.3	165.7	33.4	0	0	0	0	108.5	R515	R515-S517 PolarHBondContact O-N 3.3Å
518	Q	26.6	Very low	29.2	Very low	157 Å²	157	144.2 Å²	144.2	73%	0.734	79%	0.792	S	S	*	*			trans	-67	153	171.8	-66.8	177.5	-39	0	0	110.8
519	P	35.1	Very low	29	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	79%	0.785	S	S	*	*			trans	-113.5	119.3	133.7	24.8	-11.1	0	0	0	109.8
520	N	30	Very low	29.2	Very low	130 Å²	130	145 Å²	145	70%	0.695	78%	0.783	S	S	*	*			trans	-53.3	147.6	161.6	-79	-47.1	0	0	0	110.3
521	V	31.9	Very low	28.9	Very low	116 Å²	116	143.8 Å²	143.8	70%	0.703	78%	0.78	S	S	*	*				162.6	112	107.3	164.9	0	0	0	0	109.9
522	L	32	Very low	29.1	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	78%	0.779	S	S	*	*			trans	49.7	126.3	141	-53.9	168.8	0	0	0	118.2
523	G	28.7	Very low	29.2	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	78%	0.779	S	S	*	*			cis	145.7	161.5	22.1	0	0	0	0	0	108.4
524	M	30.1	Very low	29.3	Very low	174 Å²	174	145.1 Å²	145.1	86%	0.857	78%	0.783	S	S	*	*			trans	92.6	88.4	179.2	-50.6	-92.1	82.8	0	0	113.9
525	R	30.8	Very low	29.4	Very low	240 Å²	240	148.5 Å²	148.5	91%	0.906	79%	0.791	S	S	*	*				64.2	113.8	76.7	-73.6	-166.6	177.8	-174.4	0.1	115.2
526	S	24.7	Very low	29.7	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	78%	0.781	S	S	*	*			trans	-49.4	145.4	167	-168.9	0	0	0	0	114.3
527	L	30.4	Very low	30	Very low	173 Å²	173	142.9 Å²	142.9	91%	0.906	78%	0.782	S	S	*	*			trans	-156.7	123.6	151	-111.8	143.6	0	0	0	110.3
528	E	25.1	Very low	30.2	Very low	166 Å²	166	143.7 Å²	143.7	78%	0.776	79%	0.785	S	S	*	*			trans	-65.7	161.4	171.4	-61.7	167.4	137.3	0	0	111.8
529	S	27	Very low	30.5	Very low	93 Å²	93	143 Å²	143	65%	0.65	79%	0.791	S	S	*	*			trans	98	139.1	133.6	80.8	0	0	0	0	120.9
530	H	31.9	Very low	30.3	Very low	173 Å²	173	140.6 Å²	140.6	80%	0.801	79%	0.79	S	S	*	*			trans	86.8	106.4	149.8	-62	-58.7	0	0	0	121.1
531	S	25.6	Very low	30.6	Very low	93 Å²	93	140 Å²	140	65%	0.65	79%	0.793	S	S	*	*			trans	-29.2	143.9	139.3	54.4	0	0	0	0	115.4
532	L	30.5	Very low	30.7	Very low	151 Å²	151	141.3 Å²	141.3	79%	0.791	80%	0.796	S	S	*	*				163.1	134.9	122.8	-93.7	164.7	0	0	0	115
533	V	32.3	Very low	30.8	Very low	127 Å²	127	144.5 Å²	144.5	77%	0.77	80%	0.797	S	S	*	*			trans	59.3	136.4	147.3	-91.1	0	0	0	0	125.8
534	D	28.1	Very low	30.8	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	80%	0.801	S	S	*	*			trans	-40.3	153.5	150.6	-76.3	-50.2	0	0	0	115
535	E	32.4	Very low	30.9	Very low	194 Å²	194	146 Å²	146	91%	0.907	80%	0.8	S	S	*	*			trans	-174.2	158.7	140.2	-100.9	-78	165.6	0	0	111.6
536	A	34.7	Very low	30.9	Very low	81 Å²	81	139.4 Å²	139.4	67%	0.669	79%	0.791	S	S	*	*			trans	-100.3	177.3	-150.7	0	0	0	0	0	117
537	F	30.8	Very low	31.2	Very low	196 Å²	196	142.1 Å²	142.1	86%	0.86	80%	0.797	S	S	*	*			trans	-39.1	168.9	176.8	-72.4	-94.1	0	0	0	118.3
538	P	35.4	Very low	31.1	Very low	128 Å²	128	146.3 Å²	146.3	83%	0.831	80%	0.801	S	S	*	*				-143.2	151.7	118.3	34.1	-17.5	0	0	0	117.3
539	T	32.4	Very low	31.3	Very low	142 Å²	142	143.6 Å²	143.6	87%	0.871	80%	0.8	S	S	*	*			trans	-80	148.7	172.7	45.4	0	0	0	0	114.2
540	G	31.8	Very low	31.4	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	81%	0.806	S	S	*	*			trans	175.9	130.3	161.9	0	0	0	0	0	114.2
541	P	36.6	Very low	31.2	Very low	117 Å²	117	148 Å²	148	76%	0.76	81%	0.811	S	S	*	*			trans	-110.8	174.9	-157	41	-32.6	0	0	0	116.7
542	N	33.9	Very low	31.3	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	82%	0.815	S	S	*	*			trans	86.5	102.7	161.8	-58.4	-26.4	0	0	0	118.3
543	Y	33.3	Very low	31.2	Very low	240 Å²	240	148.6 Å²	148.6	94%	0.941	81%	0.812	S	S	*	*				-162.4	115.1	125.1	-98.8	-75.6	0	0	0	108.9
544	S	29.8	Very low	31.2	Very low	107 Å²	107	152.4 Å²	152.4	75%	0.748	82%	0.819	S	S	*	*			trans	-79.5	136.6	170.9	60	0	0	0	0	110.3
545	I	32.6	Very low	31.3	Very low	163 Å²	163	156.5 Å²	156.5	84%	0.836	82%	0.822	S	S	*	*			trans	-159.9	136	136	-90.9	141.4	0	0	0	107.8
546	S	30.2	Very low	31.2	Very low	103 Å²	103	155.9 Å²	155.9	72%	0.72	82%	0.82	S	S	*	*			trans	-49.8	127.6	-176.4	49.3	0	0	0	0	116.6
547	N	31.6	Very low	31.3	Very low	165 Å²	165	158.7 Å²	158.7	88%	0.882	81%	0.813	S	S	*	*			trans	-157.1	110.7	134.5	-101.1	-17.1	0	0	0	109.6	S549	N547-S549 PolarHBondContact O-N 3.25Å
548	R	26.8	Very low	31.4	Very low	261 Å²	261	156.8 Å²	156.8	99%	0.985	81%	0.811	S	S	*	*			trans	-78	113.7	173.7	-86.4	-178.7	172.9	-173.3	-1.9	108.9
549	S	29.6	Very low	31.2	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	80%	0.803	S	S	*	*			trans	-151	95.6	156.8	179.6	0	0	0	0	108.7	N547 F551	N547-S549 PolarHBondContact O-N 3.25Å; S549-F551 PolarHBondContact O-N 3.37Å
550	I	28.8	Very low	31.7	Very low	152 Å²	152	151.5 Å²	151.5	78%	0.779	77%	0.772	S	S	*	*			trans	9.6	102.2	158.4	-52.6	173.5	0	0	0	115.9	I552	I550-I552 HydrophobicContact CG2-CG1 4.05Å; I550-I552 PolarHBondContact O-N 3Å
551	F	28	Very low	32.1	Very low	206 Å²	206	156.8 Å²	156.8	90%	0.904	78%	0.777	S	S	*	*			trans	-69.6	110.2	154.6	-96.8	-95.1	0	0	0	108.5	S549 P553	S549-F551 PolarHBondContact O-N 3.37Å; F551-P553 WeakPolarHBondContact O-CD 3.41Å
552	I	27.9	Very low	32.6	Very low	146 Å²	146	151.6 Å²	151.6	75%	0.749	74%	0.743	S	S	*	*			trans	-76	117.4	170.8	-60.5	173	0	0	0	107.5	I550	I550-I552 HydrophobicContact CG2-CG1 4.05Å; I550-I552 PolarHBondContact O-N 3Å
553	P	28.3	Very low	33.2	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	72%	0.72	S	S	*	*			trans	-65.9	137.5	173.9	-10.5	25.6	0	0	0	109.3	F551 R555	F551-P553 WeakPolarHBondContact O-CD 3.41Å; P553-R555 PolarHBondContact O-N 3.48Å
554	K	33	Very low	33.7	Very low	207 Å²	207	138.6 Å²	138.6	90%	0.9	69%	0.693	S	S	*	*			trans	-44.2	127	170.7	-75	177	174.5	176.2	0	109.9	Q556	K554-Q556 PolarHBondContact O-N 3.38Å
555	R	29.6	Very low	34.5	Very low	240 Å²	240	136.4 Å²	136.4	91%	0.906	68%	0.675	S	S	*	*			trans	-30.2	114.5	-178.4	-86.5	179.4	166.8	-173.3	-3.6	113.1	P553	P553-R555 PolarHBondContact O-N 3.48Å
556	Q	31.4	Very low	34.9	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	67%	0.672	S	S	*	*			trans	-54.4	138.6	161.5	-82.9	172	-40	0	0	109.5	K554 N558	K554-Q556 PolarHBondContact O-N 3.38Å; Q556-N558 PolarHBondContact O-N 3.43Å
557	R	35.8	Very low	35.4	Very low	140 Å²	140	135.1 Å²	135.1	53%	0.528	68%	0.675	S	S	.	*			trans	-50.4	126.5	172.5	-85.6	174.8	156.3	133	-14.8	109	E149 I559 C570	E149-R557 IonicContact OE2-NH2 3.74Å; R557-I559 PolarHBondContact O-N 3.08Å; R557-C570 VanDerWaalsContact NH1-CB 3.26Å; R557-C570 PolarHBondContact NH2-SG 3.03Å; R557-C570 VanDerWaalsContact NH2-SG 3.4Å
558	N	32.3	Very low	35.8	Very low	155 Å²	155	135.4 Å²	135.4	83%	0.829	67%	0.671	S	S	*	*			trans	-63.2	110.6	163.8	-72.2	-13.9	0	0	0	106.9	Q556 S560	Q556-N558 PolarHBondContact O-N 3.43Å; N558-S560 PolarHBondContact O-N 3.18Å
559	I	32.5	Very low	36.7	Very low	128 Å²	128	130.4 Å²	130.4	66%	0.656	66%	0.659	S	S	*	*			trans	-46.8	119.3	167.1	-72.3	162.4	0	0	0	107.2	R557 E561 S563	R557-I559 PolarHBondContact O-N 3.08Å; I559-E561 PolarHBondContact O-N 3.4Å; I559-S563 WeakPolarHBondContact CG2-OG 3.32Å
560	S	41.5	Very low	37.3	Very low	32 Å²	32	126.3 Å²	126.3	22%	0.224	63%	0.63	C	S	.	*			trans	-56.5	132.7	163.7	161.1	0	0	0	0	106.6	D161 N558 S562 S563	D161-S560 VanDerWaalsContact OD2-CB 3.22Å; D161-S560 WeakPolarHBondContact OD2-CB 3.19Å; D161-S560 PolarHBondContact OD2-OG 3.28Å; N558-S560 PolarHBondContact O-N 3.18Å; S560-S562 PolarHBondContact O-N 3.09Å; S560-S562 PolarHBondContact OG-N 2.99Å; S560-S562 PolarHBondContact OG-OG 3.27Å; S560-S563 PolarHBondContact O-N 3.22Å
561	E	40	Very low	38.2	Very low	185 Å²	185	127.2 Å²	127.2	86%	0.864	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	-21.2	177.4	-80.1	-178.6	154.3	0	0	111.9	R192 I559	R192-E561 PolarHBondContact NH1-O 3.49Å; I559-E561 PolarHBondContact O-N 3.4Å
562	S	48.6	Very low	39.2	Very low	9 Å²	9	127.7 Å²	127.7	6%	0.063	63%	0.627	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-9.8	178.7	72	0	0	0	0	117.5	K145 Q164 S560 D564	K145-S562 PolarHBondContact NZ-OG 3.43Å; Q164-S562 PolarHBondContact OE1-O 2.89Å; S560-S562 PolarHBondContact O-N 3.09Å; S560-S562 PolarHBondContact OG-N 2.99Å; S560-S562 PolarHBondContact OG-OG 3.27Å; S562-D564 PolarHBondContact O-N 3.37Å
563	S	46	Very low	40.2	Very low	40 Å²	40	123.5 Å²	123.5	28%	0.28	61%	0.607	S	S	.	*			trans	-84.6	112.7	-168.7	78.9	0	0	0	0	114.4	I559 S560	I559-S563 WeakPolarHBondContact CG2-OG 3.32Å; S560-S563 PolarHBondContact O-N 3.22Å
564	D	43.4	Very low	41.1	Very low	69 Å²	69	125.2 Å²	125.2	37%	0.369	62%	0.616	S	S	.	*			trans	-94.3	22.9	166.7	-78.4	-4.6	0	0	0	112	R66 R68 K103 R192 S562	R66-D564 IonicContact NH1-OD2 2.74Å; R66-D564 PolarHBondContact NH1-OD2 2.84Å; R68-D564 PolarHBondContact NH1-O 2.89Å; K103-D564 IonicContact NZ-OD2 3.07Å; K103-D564 PolarHBondContact NZ-OD2 3.29Å; R192-D564 IonicContact NH2-OD1 2.63Å; R192-D564 PolarHBondContact NH2-OD1 2.94Å; R192-D564 VanDerWaalsContact NH2-OD1 3.11Å; S562-D564 PolarHBondContact O-N 3.37Å
565	V	47.6	Very low	42.2	Very low	61 Å²	61	119 Å²	119	37%	0.37	61%	0.61	S	S	.	*	S	Bend	trans	-143.6	137.4	-171.5	-136.5	0	0	0	0	114.7
566	D	41	Very low	43.9	Very low	143 Å²	143	108 Å²	108	77%	0.765	57%	0.57	S	S	*	*			trans	-28.7	127.4	-171.5	-53.2	-44.5	0	0	0	118.8
567	A	39.9	Very low	45.7	Very low	96 Å²	96	104.7 Å²	104.7	79%	0.793	56%	0.557	S	S	*	*			trans	-87.1	4.2	-174.1	0	0	0	0	0	115.4
568	E	39.6	Very low	47.4	Very low	171 Å²	171	98.5 Å²	98.5	80%	0.799	53%	0.534	S	S	*	.	S	Bend	trans	-118.4	135.8	-172.1	-63.4	-168.1	158.7	0	0	111
569	E	45.4	Very low	49.1	Very low	157 Å²	157	93.7 Å²	93.7	73%	0.734	51%	0.505	S	S	*	.			trans	100.6	32.4	167.1	-146.4	159.4	-146.6	0	0	119.4	H571	E569-H571 VanDerWaalsContact C-N 3.32Å; E569-H571 PolarHBondContact O-N 3.01Å
570	C	43.5	Very low	50.8	Low	21 Å²	21	92.6 Å²	92.6	14%	0.142	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	5	178.6	-160.9	0	0	0	0	115.7	R557	R557-C570 VanDerWaalsContact NH1-CB 3.26Å; R557-C570 PolarHBondContact NH2-SG 3.03Å; R557-C570 VanDerWaalsContact NH2-SG 3.4Å
571	H	46.7	Very low	52.1	Low	172 Å²	172	91.7 Å²	91.7	80%	0.796	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	9.8	-165.6	-71.8	-38	0	0	0	116.8	E569	E569-H571 VanDerWaalsContact C-N 3.32Å; E569-H571 PolarHBondContact O-N 3.01Å
572	R	48.6	Very low	53.6	Low	216 Å²	216	83.1 Å²	83.1	82%	0.815	45%	0.45	S	S	*	.			trans	-141.2	16.6	-173.2	-72.8	-170.4	175.9	153.6	-3.2	117.7	T574	R572-T574 PolarHBondContact O-N 3.23Å
573	V	50.1	Low	54.4	Low	57 Å²	57	87.3 Å²	87.3	35%	0.345	47%	0.468	S	S	.	.			trans	-88.3	77	-178.6	-167.9	0	0	0	0	111.2	I72 G575 N576	I72-V573 HydrophobicContact CG2-CG2 4.14Å; V573-G575 PolarHBondContact O-N 2.62Å; V573-N576 HydrophobicContact CG1-CB 4.22Å
574	T	46.9	Very low	55.3	Low	149 Å²	149	87.4 Å²	87.4	91%	0.914	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	115.2	164.9	-14.4	0	0	0	0	107.9	R572	R572-T574 PolarHBondContact O-N 3.23Å
575	G	54.6	Low	56.1	Low	75 Å²	75	91.2 Å²	91.2	77%	0.773	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.9	-1.6	175.8	0	0	0	0	0	116.9	V573	V573-G575 PolarHBondContact O-N 2.62Å
576	N	66.5	Low	57.3	Low	11 Å²	11	91.8 Å²	91.8	6%	0.059	48%	0.483	C	S	.	.			trans	-89.5	105.4	172.9	-177.3	-15.7	0	0	0	109.5	A71 I72 K74 V573 L578 Y579 Q580	A71-N576 PolarHBondContact O-ND2 3.08Å; I72-N576 PolarHBondContact O-ND2 3.37Å; K74-N576 WeakPolarHBondContact CE-ND2 3.42Å; K74-N576 WeakPolarHBondContact CE-OD1 3.29Å; V573-N576 HydrophobicContact CG1-CB 4.22Å; N576-L578 PolarHBondContact O-N 3.5Å; N576-L578 WeakPolarHBondContact OD1-CB 3.5Å; N576-L578 PolarHBondContact OD1-N 3.48Å; N576-Y579 CarbonylContact O-C 3.1Å; N576-Y579 WeakPolarHBondContact O-CA 3.33Å; N576-Y579 WeakPolarHBondContact O-CB 3.39Å; N576-Y579 PolarHBondContact O-N 3.42Å; N576-Y579 PolarHBondContact OD1-N 2.81Å; N576-Q580 PolarHBondContact O-N 3.38Å
577	L	69.7	Low	59.2	Low	112 Å²	112	88.3 Å²	88.3	59%	0.586	46%	0.461	S	S	*	.	H	α-helix	trans	-52.9	-40.3	-178.5	-177.9	65.4	0	0	0	112.2	Y579 Q580 L581	L577-Y579 VanDerWaalsContact C-N 3.35Å; L577-Y579 PolarHBondContact O-N 3.11Å; L577-Q580 CarbonylContact O-C 3.53Å; L577-Q580 WeakPolarHBondContact O-CB 3.08Å; L577-Q580 PolarHBondContact O-N 3Å; L577-L581 HydrophobicContact CG-CD1 4.38Å; L577-L581 HydrophobicContact CG-CG 4.45Å; L577-L581 VanDerWaalsContact O-CG 3.29Å; L577-L581 WeakPolarHBondContact O-CG 2.94Å; L577-L581 PolarHBondContact O-N 3.12Å
578	L	71.5	Confident	61.4	Low	9 Å²	9	84.2 Å²	84.2	5%	0.047	43%	0.426	C	S	.	.	H	α-helix	trans	-62.3	-44.1	176.7	-177.1	72.7	0	0	0	111.5	E143 L146 W147 L231 N576 Q580 L581 M582	E143-L578 HydrophobicContact CB-CD2 3.67Å; E143-L578 HydrophobicContact CG-CD2 3.58Å; L146-L578 HydrophobicContact CD1-CD2 4.08Å; W147-L578 HydrophobicContact CZ2-CD1 4.21Å; L231-L578 HydrophobicContact CD1-CD1 4.26Å; N576-L578 PolarHBondContact O-N 3.5Å; N576-L578 WeakPolarHBondContact OD1-CB 3.5Å; N576-L578 PolarHBondContact OD1-N 3.48Å; L578-Q580 VanDerWaalsContact C-N 3.31Å; L578-Q580 PolarHBondContact O-N 3.5Å; L578-L581 PolarHBondContact O-N 3.3Å; L578-M582 HydrophobicContact CG-SD 4.3Å; L578-M582 WeakPolarHBondContact O-CG 3.38Å; L578-M582 PolarHBondContact O-N 3.19Å
579	Y	67.7	Low	63.6	Low	55 Å²	55	76 Å²	76	22%	0.216	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-39.7	176.5	-168.3	-101.7	0	0	0	110.9	N576 L577 M582 H583	N576-Y579 CarbonylContact O-C 3.1Å; N576-Y579 WeakPolarHBondContact O-CA 3.33Å; N576-Y579 WeakPolarHBondContact O-CB 3.39Å; N576-Y579 PolarHBondContact O-N 3.42Å; N576-Y579 PolarHBondContact OD1-N 2.81Å; L577-Y579 VanDerWaalsContact C-N 3.35Å; L577-Y579 PolarHBondContact O-N 3.11Å; Y579-M582 PolarHBondContact O-N 3.07Å; Y579-H583 AromaticContact CD1-CD2 3.74Å; Y579-H583 AromaticContact CE1-CD2 3.44Å; Y579-H583 VanDerWaalsContact CE1-CD2 3.44Å; Y579-H583 WeakPolarHBondContact CE1-CD2 3.45Å; Y579-H583 AromaticContact CE1-NE2 3.62Å; Y579-H583 AromaticContact CE2-CD2 3.88Å; Y579-H583 AromaticContact CE2-NE2 3.55Å; Y579-H583 AromaticContact CZ-CD2 3.51Å; Y579-H583 AromaticContact CZ-NE2 3.18Å; Y579-H583 PolarHBondContact O-CD2 3.15Å; Y579-H583 PolarHBondContact O-N 3.05Å; Y579-H583 PolarHBondContact OH-NE2 3.29Å
580	Q	68.3	Low	65.6	Low	105 Å²	105	70 Å²	70	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-50.3	173.6	-174.8	-180	-34.2	0	0	110.9	N576 L577 L578 M582 H583 E584	N576-Q580 PolarHBondContact O-N 3.38Å; L577-Q580 CarbonylContact O-C 3.53Å; L577-Q580 WeakPolarHBondContact O-CB 3.08Å; L577-Q580 PolarHBondContact O-N 3Å; L578-Q580 VanDerWaalsContact C-N 3.31Å; L578-Q580 PolarHBondContact O-N 3.5Å; Q580-M582 VanDerWaalsContact C-N 3.28Å; Q580-M582 PolarHBondContact O-N 3.01Å; Q580-H583 CarbonylContact O-C 3.23Å; Q580-H583 VanDerWaalsContact O-C 3.3Å; Q580-H583 WeakPolarHBondContact O-CA 3.21Å; Q580-H583 PolarHBondContact O-N 3.45Å; Q580-E584 HydrophobicContact CG-CG 4.15Å; Q580-E584 PolarHBondContact NE2-OE1 2.97Å; Q580-E584 WeakPolarHBondContact O-CG 3.46Å; Q580-E584 PolarHBondContact O-N 2.98Å
581	L	68.3	Low	67.5	Low	13 Å²	13	69 Å²	69	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-54.9	-42	176.8	-69.9	172.6	0	0	0	112.1	L577 L578 H583 E584	L577-L581 HydrophobicContact CG-CD1 4.38Å; L577-L581 HydrophobicContact CG-CG 4.45Å; L577-L581 VanDerWaalsContact O-CG 3.29Å; L577-L581 WeakPolarHBondContact O-CG 2.94Å; L577-L581 PolarHBondContact O-N 3.12Å; L578-L581 PolarHBondContact O-N 3.3Å; L581-H583 PolarHBondContact O-N 2.89Å; L581-E584 WeakPolarHBondContact CD2-OE2 3.34Å; L581-E584 PolarHBondContact O-N 2.98Å
582	M	71.5	Confident	69.4	Low	4 Å²	4	66 Å²	66	2%	0.02	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-22.7	177.1	-65.2	166.6	70.2	0	0	113.2	L146 W147 A150 R226 L578 Y579 Q580	L146-M582 VanDerWaalsContact C-CE 3.43Å; L146-M582 HydrophobicContact CB-CE 3.84Å; L146-M582 HydrophobicContact CB-SD 3.95Å; L146-M582 WeakPolarHBondContact O-CE 3.1Å; W147-M582 HydrophobicContact CD2-CG 4.2Å; W147-M582 HydrophobicContact CE3-CG 4.07Å; W147-M582 HydrophobicContact CH2-CG 3.77Å; W147-M582 HydrophobicContact CZ2-CG 3.93Å; W147-M582 HydrophobicContact CZ3-CB 4.49Å; W147-M582 HydrophobicContact CZ3-CG 3.84Å; A150-M582 HydrophobicContact CB-CE 3.46Å; A150-M582 VanDerWaalsContact CB-CE 3.46Å; R226-M582 PolarHBondContact NE-O 3.06Å; R226-M582 VanDerWaalsContact NE-O 3.1Å; R226-M582 PolarHBondContact NH2-O 2.79Å; L578-M582 HydrophobicContact CG-SD 4.3Å; L578-M582 WeakPolarHBondContact O-CG 3.38Å; L578-M582 PolarHBondContact O-N 3.19Å; Y579-M582 PolarHBondContact O-N 3.07Å; Q580-M582 VanDerWaalsContact C-N 3.28Å; Q580-M582 PolarHBondContact O-N 3.01Å
583	H	65.4	Low	71.1	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-105.6	-7.5	-179.5	-77.2	-72.6	0	0	0	114.1	Y579 Q580 L581	Y579-H583 AromaticContact CD1-CD2 3.74Å; Y579-H583 AromaticContact CE1-CD2 3.44Å; Y579-H583 VanDerWaalsContact CE1-CD2 3.44Å; Y579-H583 WeakPolarHBondContact CE1-CD2 3.45Å; Y579-H583 AromaticContact CE1-NE2 3.62Å; Y579-H583 AromaticContact CE2-CD2 3.88Å; Y579-H583 AromaticContact CE2-NE2 3.55Å; Y579-H583 AromaticContact CZ-CD2 3.51Å; Y579-H583 AromaticContact CZ-NE2 3.18Å; Y579-H583 PolarHBondContact O-CD2 3.15Å; Y579-H583 PolarHBondContact O-N 3.05Å; Y579-H583 PolarHBondContact OH-NE2 3.29Å; Q580-H583 CarbonylContact O-C 3.23Å; Q580-H583 VanDerWaalsContact O-C 3.3Å; Q580-H583 WeakPolarHBondContact O-CA 3.21Å; Q580-H583 PolarHBondContact O-N 3.45Å; L581-H583 PolarHBondContact O-N 2.89Å
584	E	65.7	Low	72.7	Confident	42 Å²	42	60.1 Å²	60.1	20%	0.196	33%	0.331	C	S	.	.	S	Bend	trans	-65	164.9	174	-84.3	178.5	-169.2	0	0	111.7	R230 Q580 L581 H586	R230-E584 IonicContact CZ-OE2 3.29Å; R230-E584 IonicContact NE-OE2 2.81Å; R230-E584 IonicContact NH2-OE1 3.86Å; R230-E584 IonicContact NH2-OE2 2.73Å; R230-E584 PolarHBondContact NH2-OE2 3.49Å; Q580-E584 HydrophobicContact CG-CG 4.15Å; Q580-E584 PolarHBondContact NE2-OE1 2.97Å; Q580-E584 WeakPolarHBondContact O-CG 3.46Å; Q580-E584 PolarHBondContact O-N 2.98Å; L581-E584 WeakPolarHBondContact CD2-OE2 3.34Å; L581-E584 PolarHBondContact O-N 2.98Å; E584-H586 PolarHBondContact O-N 3.2Å
585	N	59.3	Low	74.3	Confident	149 Å²	149	56 Å²	56	80%	0.797	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-65.8	133.4	176.2	-71.4	-27.1	0	0	0	109.6	K587	N585-K587 PolarHBondContact O-N 3.39Å
586	H	73	Confident	75.6	Confident	73 Å²	73	52.4 Å²	52.4	34%	0.338	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-54.1	131.9	172	170.8	-95.9	0	0	0	109.9	E225 E584	E225-H586 IonicContact OE2-CD2 3.62Å; E225-H586 IonicContact OE2-CE1 3.71Å; E225-H586 IonicContact OE2-NE2 3.86Å; E225-H586 PolarHBondContact OE2-NE2 3.29Å; E584-H586 PolarHBondContact O-N 3.2Å
587	K	81.2	Confident	76.2	Confident	71 Å²	71	55.6 Å²	55.6	31%	0.309	29%	0.285	S	S	.	.			trans	-112.4	121.8	167.4	-68.2	-170.3	173.7	-170.9	0	108.8	E225 H229 N585	E225-K587 WeakPolarHBondContact CA-O 3.42Å; E225-K587 PolarHBondContact O-N 3.01Å; H229-K587 PolarHBondContact NE2-O 3.37Å; N585-K587 PolarHBondContact O-N 3.39Å
588	P	85.8	Confident	76.6	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.058	29%	0.293	C	S	.	.			trans	-67.5	148.5	-179.2	25.5	-30.6	0	0	0	111.2	H229 A285 C590 H593 N596	H229-P588 PolarHBondContact CE1-O 3.08Å; H229-P588 PolarHBondContact NE2-O 3.18Å; A285-P588 HydrophobicContact CB-CB 3.48Å; A285-P588 VanDerWaalsContact CB-CB 3.48Å; P588-C590 VanDerWaalsContact C-N 3.33Å; P588-H593 HydrophobicContact CB-CB 4.44Å; P588-H593 HydrophobicContact CG-CB 3.56Å; P588-H593 VanDerWaalsContact CG-CD2 3.47Å; P588-H593 WeakPolarHBondContact CG-CD2 3.41Å; P588-H593 VanDerWaalsContact CG-ND1 3.29Å; P588-H593 WeakPolarHBondContact CG-ND1 3.4Å; P588-N596 PolarHBondContact O-ND2 3.05Å
589	S	85.8	Confident	76.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-85.9	8.8	178.8	62.3	0	0	0	0	115.3	H221 E225 A285	H221-S589 PolarHBondContact NE2-OG 2.85Å; E225-S589 PolarHBondContact OE1-N 2.99Å; E225-S589 PolarHBondContact OE1-OG 3.32Å; E225-S589 VanDerWaalsContact OE1-OG 3.11Å; A285-S589 PolarHBondContact O-OG 3.47Å; A285-S589 VanDerWaalsContact O-OG 3.05Å
590	C	87.5	Confident	77.5	Confident	30 Å²	30	62.5 Å²	62.5	20%	0.203	32%	0.321	C	S	.	.			trans	-89.7	136.1	172.2	70.8	0	0	0	0	111	A285 Q286 D288 P588 D592 H593 N596	A285-C590 HydrophobicContact CB-CB 4.26Å; Q286-C590 VanDerWaalsContact O-CB 3.3Å; Q286-C590 WeakPolarHBondContact O-CB 3.3Å; D288-C590 VanDerWaalsContact OD2-CA 3.31Å; D288-C590 WeakPolarHBondContact OD2-CA 3.17Å; P588-C590 VanDerWaalsContact C-N 3.33Å; C590-D592 VanDerWaalsContact C-N 3.33Å; C590-D592 PolarHBondContact O-N 3.29Å; C590-H593 PolarHBondContact O-N 3.37Å; C590-N596 PolarHBondContact O-ND2 3.23Å
591	A	84.2	Confident	78.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-40	-176.1	0	0	0	0	0	112.1	D288 H593 H676 L680	D288-A591 WeakPolarHBondContact OD2-CB 3.32Å; D288-A591 PolarHBondContact OD2-N 3.01Å; A591-H593 PolarHBondContact O-N 2.78Å; A591-H593 VanDerWaalsContact O-N 3.14Å; A591-H676 HydrophobicContact CB-CB 4.48Å; A591-L680 HydrophobicContact CB-CD1 3.76Å; A591-L680 HydrophobicContact CB-CD2 4.26Å; A591-L680 HydrophobicContact CB-CG 4.06Å; A591-L680 WeakPolarHBondContact O-CD2 3.5Å
592	D	85.8	Confident	79	Confident	107 Å²	107	60 Å²	60	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-2	-176.2	-65.5	-26.7	0	0	0	114.4	C590	C590-D592 VanDerWaalsContact C-N 3.33Å; C590-D592 PolarHBondContact O-N 3.29Å
593	H	85	Confident	79.7	Confident	72 Å²	72	65.7 Å²	65.7	33%	0.333	34%	0.342	S	S	.	.	S	Bend	trans	-70.8	132.8	179.3	-161.5	-95.2	0	0	0	110.9	P588 C590 A591 T595 N596 L597	P588-H593 HydrophobicContact CB-CB 4.44Å; P588-H593 HydrophobicContact CG-CB 3.56Å; P588-H593 VanDerWaalsContact CG-CD2 3.47Å; P588-H593 WeakPolarHBondContact CG-CD2 3.41Å; P588-H593 VanDerWaalsContact CG-ND1 3.29Å; P588-H593 WeakPolarHBondContact CG-ND1 3.4Å; C590-H593 PolarHBondContact O-N 3.37Å; A591-H593 PolarHBondContact O-N 2.78Å; A591-H593 VanDerWaalsContact O-N 3.14Å; H593-T595 PolarHBondContact ND1-N 3.08Å; H593-T595 PolarHBondContact ND1-OG1 3.16Å; H593-T595 PolarHBondContact O-N 3.18Å; H593-N596 WeakPolarHBondContact O-CB 3.36Å; H593-N596 PolarHBondContact O-N 3.14Å; H593-L597 PolarHBondContact O-N 2.99Å
594	P	82.2	Confident	80.9	Confident	79 Å²	79	61.1 Å²	61.1	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-52.3	-38.6	-176.2	-29.4	34.7	0	0	0	114.3	N596 L597 D598	P594-N596 PolarHBondContact O-N 3.36Å; P594-N596 VanDerWaalsContact O-N 3.11Å; P594-L597 PolarHBondContact O-N 3.49Å; P594-D598 PolarHBondContact O-N 3.1Å
595	T	81.3	Confident	82.2	Confident	61 Å²	61	60.4 Å²	60.4	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-18.6	178.9	62.4	0	0	0	0	114.6	H593 Q599	H593-T595 PolarHBondContact ND1-N 3.08Å; H593-T595 PolarHBondContact ND1-OG1 3.16Å; H593-T595 PolarHBondContact O-N 3.18Å; T595-Q599 PolarHBondContact O-NE2 3.27Å
596	N	82.5	Confident	83.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-92.3	-26.3	177.2	-65	-26.2	0	0	0	111.5	P588 C590 H593 P594 L606 L680	P588-N596 PolarHBondContact O-ND2 3.05Å; C590-N596 PolarHBondContact O-ND2 3.23Å; H593-N596 WeakPolarHBondContact O-CB 3.36Å; H593-N596 PolarHBondContact O-N 3.14Å; P594-N596 PolarHBondContact O-N 3.36Å; P594-N596 VanDerWaalsContact O-N 3.11Å; N596-L606 HydrophobicContact CB-CD2 4.46Å; N596-L680 HydrophobicContact CB-CD2 3.62Å
597	L	79.6	Confident	85	Confident	79 Å²	79	49.8 Å²	49.8	41%	0.414	26%	0.264	S	S	.	.	H	α-helix	trans	-82.4	-25.8	176.9	-59.8	174.9	0	0	0	113	H593 P594 Q599 L680	H593-L597 PolarHBondContact O-N 2.99Å; P594-L597 PolarHBondContact O-N 3.49Å; L597-Q599 PolarHBondContact O-N 3.22Å; L597-L680 HydrophobicContact CD2-CD2 4.47Å
598	D	76.4	Confident	85.6	Confident	138 Å²	138	49 Å²	49	74%	0.738	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	11.3	178.6	-67.3	-28.6	0	0	0	114	P594	P594-D598 PolarHBondContact O-N 3.1Å
599	Q	76.6	Confident	86.2	Confident	35 Å²	35	48.6 Å²	48.6	16%	0.164	26%	0.259	C	S	.	.	S	Bend	trans	-82.9	146.6	-176.7	-61.8	-173.6	11.1	0	0	111.6	T595 L597 S604	T595-Q599 PolarHBondContact O-NE2 3.27Å; L597-Q599 PolarHBondContact O-N 3.22Å; Q599-S604 VanDerWaalsContact OE1-CA 3.29Å
600	E	83	Confident	86.7	Confident	147 Å²	147	48.6 Å²	48.6	69%	0.687	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-60	140.3	173.1	-68.9	177	-178.2	0	0	110.3	G602 H603	E600-G602 PolarHBondContact O-N 2.58Å; E600-H603 WeakPolarHBondContact O-CB 3.42Å; E600-H603 PolarHBondContact O-N 2.93Å; E600-H603 VanDerWaalsContact O-N 3.08Å; E600-H603 IonicContact OE2-CD2 2.76Å
601	I	85.5	Confident	87.2	Confident	42 Å²	42	47.8 Å²	47.8	22%	0.215	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	132.5	-179.6	-68.5	173.8	0	0	0	110	H603 L683 M686 R722 E725 G726	I601-H603 VanDerWaalsContact C-N 3.33Å; I601-H603 PolarHBondContact O-CD2 3.05Å; I601-H603 PolarHBondContact O-N 3.15Å; I601-L683 HydrophobicContact CG2-CD1 4.2Å; I601-M686 HydrophobicContact CB-CE 4.32Å; I601-M686 HydrophobicContact CG1-CE 4.24Å; I601-M686 HydrophobicContact CG2-CE 3.4Å; I601-M686 VanDerWaalsContact CG2-CE 3.4Å; I601-R722 HydrophobicContact CD1-CB 4.38Å; I601-R722 WeakPolarHBondContact CD1-O 3.18Å; I601-E725 HydrophobicContact CD1-CB 4.23Å; I601-G726 VanDerWaalsContact CG2-CA 3.4Å
602	G	82	Confident	87.7	Confident	23 Å²	23	48.6 Å²	48.6	24%	0.237	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	-11.3	-179.2	0	0	0	0	0	115	E600 G681	E600-G602 PolarHBondContact O-N 2.58Å; G602-G681 PolarHBondContact N-O 2.83Å
603	H	85.7	Confident	88.2	Confident	125 Å²	125	43.5 Å²	43.5	58%	0.579	23%	0.228	S	C	*	.			trans	-99.4	1.2	-174.2	-66.5	-69.9	0	0	0	114.9	E600 I601 I605	E600-H603 WeakPolarHBondContact O-CB 3.42Å; E600-H603 PolarHBondContact O-N 2.93Å; E600-H603 VanDerWaalsContact O-N 3.08Å; E600-H603 IonicContact OE2-CD2 2.76Å; I601-H603 VanDerWaalsContact C-N 3.33Å; I601-H603 PolarHBondContact O-CD2 3.05Å; I601-H603 PolarHBondContact O-N 3.15Å; H603-I605 PolarHBondContact O-N 3.19Å
604	S	91.7	Very high	88.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.			trans	-80.4	103.1	-176.1	-174.2	0	0	0	0	113.1	Q599 L606 G607 Q608 L680	Q599-S604 VanDerWaalsContact OE1-CA 3.29Å; S604-L606 VanDerWaalsContact C-N 3.31Å; S604-L606 PolarHBondContact O-N 3.36Å; S604-G607 PolarHBondContact O-N 3.35Å; S604-G607 PolarHBondContact OG-N 3Å; S604-G607 VanDerWaalsContact OG-N 3.11Å; S604-Q608 WeakPolarHBondContact O-CG 3.27Å; S604-Q608 PolarHBondContact O-N 3.27Å; S604-L680 WeakPolarHBondContact CB-O 3.41Å; S604-L680 PolarHBondContact OG-O 3.07Å; S604-L680 VanDerWaalsContact OG-O 3.1Å
605	I	92.4	Very high	89.4	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-40.4	175.6	-59.5	166.9	0	0	0	110.7	H229 R230 H603 G607 Q608 I609	H229-I605 HydrophobicContact CB-CB 4.06Å; H229-I605 HydrophobicContact CB-CG2 3.9Å; H229-I605 WeakPolarHBondContact O-CG2 3.37Å; R230-I605 HydrophobicContact CB-CD1 4.47Å; R230-I605 HydrophobicContact CG-CD1 3.76Å; H603-I605 PolarHBondContact O-N 3.19Å; I605-G607 VanDerWaalsContact C-N 3.29Å; I605-G607 PolarHBondContact O-N 2.96Å; I605-Q608 PolarHBondContact O-N 3.36Å; I605-I609 HydrophobicContact CG2-CD1 4.11Å; I605-I609 WeakPolarHBondContact O-CG1 3.41Å; I605-I609 PolarHBondContact O-N 3.45Å
606	L	94.5	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-39.5	175.9	-171.7	63.1	0	0	0	110.8	F224 F287 N596 S604 I609 H610 L680	F224-L606 HydrophobicContact CE1-CD1 4.41Å; F224-L606 HydrophobicContact CZ-CD1 4.38Å; F287-L606 HydrophobicContact CD2-CD1 4.21Å; F287-L606 HydrophobicContact CE2-CD1 3.72Å; N596-L606 HydrophobicContact CB-CD2 4.46Å; S604-L606 VanDerWaalsContact C-N 3.31Å; S604-L606 PolarHBondContact O-N 3.36Å; L606-I609 PolarHBondContact O-N 2.78Å; L606-H610 PolarHBondContact O-CD2 3.34Å; L606-H610 PolarHBondContact O-N 2.81Å; L606-H610 VanDerWaalsContact O-N 3.09Å; L606-L680 HydrophobicContact CB-CD1 4.12Å; L606-L680 HydrophobicContact CD2-CD1 3.99Å; L606-L680 HydrophobicContact CD2-CD2 4.26Å; L606-L680 HydrophobicContact CG-CD1 3.76Å
607	G	95.5	Very high	90.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-45.4	173	0	0	0	0	0	112.4	S604 I605 I609 H610 H611 A677	S604-G607 PolarHBondContact O-N 3.35Å; S604-G607 PolarHBondContact OG-N 3Å; S604-G607 VanDerWaalsContact OG-N 3.11Å; I605-G607 VanDerWaalsContact C-N 3.29Å; I605-G607 PolarHBondContact O-N 2.96Å; G607-I609 VanDerWaalsContact C-N 3.3Å; G607-I609 PolarHBondContact O-N 3.47Å; G607-H610 PolarHBondContact O-N 2.9Å; G607-H611 PolarHBondContact O-N 2.93Å; G607-A677 VanDerWaalsContact O-CB 3.24Å; G607-A677 WeakPolarHBondContact O-CB 3.31Å
608	Q	95.3	Very high	91.2	Very high	55 Å²	55	35.5 Å²	35.5	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-61.8	-35.5	175.9	-68.9	171.5	24.5	0	0	112.8	T263 S604 I605 H611 E612	T263-Q608 HydrophobicContact CG2-CB 4.13Å; S604-Q608 WeakPolarHBondContact O-CG 3.27Å; S604-Q608 PolarHBondContact O-N 3.27Å; I605-Q608 PolarHBondContact O-N 3.36Å; Q608-H611 PolarHBondContact O-N 2.74Å; Q608-E612 WeakPolarHBondContact O-CB 3.4Å; Q608-E612 PolarHBondContact O-N 3.49Å
609	I	96.9	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-42.4	176.2	-69.6	164.6	0	0	0	111	F224 T263 M266 A267 F270 F287 I605 L606 G607 E612 L613	F224-I609 HydrophobicContact CE2-CD1 3.43Å; F224-I609 VanDerWaalsContact CE2-CD1 3.43Å; F224-I609 HydrophobicContact CZ-CD1 3.4Å; T263-I609 HydrophobicContact CG2-CG1 4.35Å; M266-I609 HydrophobicContact CB-CD1 3.85Å; M266-I609 HydrophobicContact CB-CG1 4.04Å; M266-I609 HydrophobicContact SD-CD1 3.89Å; M266-I609 HydrophobicContact SD-CG1 4.48Å; A267-I609 HydrophobicContact CB-CG2 4.14Å; F270-I609 HydrophobicContact CD2-CG2 4.46Å; F287-I609 HydrophobicContact CE2-CG2 4.12Å; F287-I609 HydrophobicContact CZ-CG2 4Å; I605-I609 HydrophobicContact CG2-CD1 4.11Å; I605-I609 WeakPolarHBondContact O-CG1 3.41Å; I605-I609 PolarHBondContact O-N 3.45Å; L606-I609 PolarHBondContact O-N 2.78Å; G607-I609 VanDerWaalsContact C-N 3.3Å; G607-I609 PolarHBondContact O-N 3.47Å; I609-E612 PolarHBondContact O-N 3.18Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.24Å
610	H	97.7	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-42.9	173.8	-81.2	-65.4	0	0	0	112.2	F287 D288 L606 G607 E612 L613 A614 H673 A677	F287-H610 AromaticContact CE1-CE1 3.6Å; F287-H610 AromaticContact CZ-CE1 3.42Å; F287-H610 VanDerWaalsContact CZ-CE1 3.42Å; F287-H610 WeakPolarHBondContact CZ-CE1 3.37Å; F287-H610 AromaticContact CZ-ND1 3.88Å; F287-H610 AromaticContact CZ-NE2 3.69Å; D288-H610 PolarHBondContact O-CE1 2.98Å; D288-H610 VanDerWaalsContact O-CE1 3.29Å; L606-H610 PolarHBondContact O-CD2 3.34Å; L606-H610 PolarHBondContact O-N 2.81Å; L606-H610 VanDerWaalsContact O-N 3.09Å; G607-H610 PolarHBondContact O-N 2.9Å; H610-E612 VanDerWaalsContact C-N 3.25Å; H610-E612 PolarHBondContact O-N 3.03Å; H610-L613 WeakPolarHBondContact O-CB 3.36Å; H610-L613 PolarHBondContact O-N 3.24Å; H610-L613 VanDerWaalsContact O-N 3.12Å; H610-A614 PolarHBondContact O-N 2.81Å; H610-H673 HydrophobicContact CB-CB 4.48Å; H610-H673 AromaticContact CE1-ND1 3.85Å; H610-H673 AromaticContact ND1-CE1 3.97Å; H610-H673 AromaticContact ND1-ND1 3.15Å; H610-H673 PolarHBondContact ND1-ND1 3.3Å; H610-H673 VanDerWaalsContact ND1-ND1 3.15Å; H610-H673 WeakPolarHBondContact O-CB 3.4Å; H610-A677 HydrophobicContact CB-CB 3.84Å
611	H	96.7	Very high	92.7	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.06	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-40.6	174.8	-177.3	59.5	0	0	0	111.4	G607 Q608 A614 R615 E674 A677 A685	G607-H611 PolarHBondContact O-N 2.93Å; Q608-H611 PolarHBondContact O-N 2.74Å; H611-A614 WeakPolarHBondContact O-CB 3.19Å; H611-A614 PolarHBondContact O-N 3.4Å; H611-R615 PolarHBondContact O-N 3.05Å; H611-E674 IonicContact CE1-OE1 3.68Å; H611-E674 PolarHBondContact CE1-OE1 2.97Å; H611-E674 VanDerWaalsContact CE1-OE1 3.29Å; H611-E674 IonicContact CE1-OE2 3.54Å; H611-E674 IonicContact CG-OE2 2.65Å; H611-E674 VanDerWaalsContact ND1-CD 3.32Å; H611-E674 IonicContact ND1-OE1 2.71Å; H611-E674 PolarHBondContact ND1-OE1 2.64Å; H611-E674 IonicContact ND1-OE2 3.94Å; H611-E674 PolarHBondContact ND1-OE2 3.16Å; H611-A677 HydrophobicContact CB-CB 3.92Å; H611-A685 HydrophobicContact CB-CB 4.5Å
612	E	96.3	Very high	92.8	Very high	18 Å²	18	27.2 Å²	27.2	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-38.2	175.3	-172.3	57.9	-161.1	0	0	113	R264 A267 Q608 I609 H610 A614 R615 L616	R264-E612 HydrophobicContact CB-CG 3.88Å; R264-E612 WeakPolarHBondContact CB-OE1 3.47Å; R264-E612 WeakPolarHBondContact CD-OE1 3.34Å; R264-E612 HydrophobicContact CG-CG 4.3Å; R264-E612 VanDerWaalsContact CG-OE1 3.25Å; R264-E612 WeakPolarHBondContact CG-OE1 3.15Å; A267-E612 HydrophobicContact CB-CB 4.1Å; A267-E612 HydrophobicContact CB-CG 3.92Å; Q608-E612 WeakPolarHBondContact O-CB 3.4Å; Q608-E612 PolarHBondContact O-N 3.49Å; I609-E612 PolarHBondContact O-N 3.18Å; H610-E612 VanDerWaalsContact C-N 3.25Å; H610-E612 PolarHBondContact O-N 3.03Å; E612-A614 VanDerWaalsContact C-N 3.3Å; E612-A614 PolarHBondContact O-N 3.33Å; E612-R615 PolarHBondContact O-N 3.14Å; E612-R615 IonicContact OE2-CZ 3.81Å; E612-R615 IonicContact OE2-NE 3.58Å; E612-R615 PolarHBondContact OE2-NE 3.14Å; E612-R615 IonicContact OE2-NH2 3.29Å; E612-R615 PolarHBondContact OE2-NH2 2.93Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.45Å; E612-L616 PolarHBondContact O-N 3.31Å
613	L	96.2	Very high	92.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-42.6	171.1	-76.3	171.7	0	0	0	111.5	A267 H271 F287 I609 H610 R615 L616 H617 H673	A267-L613 HydrophobicContact CB-CD2 3.86Å; A267-L613 HydrophobicContact CB-CG 3.81Å; A267-L613 WeakPolarHBondContact O-CD2 3.48Å; H271-L613 HydrophobicContact CB-CD2 3.82Å; F287-L613 HydrophobicContact CE1-CD1 3.62Å; F287-L613 HydrophobicContact CZ-CD1 3.71Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.24Å; H610-L613 WeakPolarHBondContact O-CB 3.36Å; H610-L613 PolarHBondContact O-N 3.24Å; H610-L613 VanDerWaalsContact O-N 3.12Å; L613-R615 PolarHBondContact O-N 3.16Å; L613-L616 PolarHBondContact O-N 2.98Å; L613-H617 PolarHBondContact O-CD2 3.2Å; L613-H617 VanDerWaalsContact O-CD2 3.26Å; L613-H617 PolarHBondContact O-N 3.06Å; L613-H673 HydrophobicContact CB-CB 4.23Å
614	A	96.9	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.7	0	0	0	0	0	111.5	H610 H611 E612 L616 H617 E618 V670 H673 E674 L700	H610-A614 PolarHBondContact O-N 2.81Å; H611-A614 WeakPolarHBondContact O-CB 3.19Å; H611-A614 PolarHBondContact O-N 3.4Å; E612-A614 VanDerWaalsContact C-N 3.3Å; E612-A614 PolarHBondContact O-N 3.33Å; A614-L616 PolarHBondContact O-N 2.95Å; A614-H617 PolarHBondContact O-N 2.89Å; A614-E618 PolarHBondContact O-N 2.98Å; A614-V670 HydrophobicContact CB-CG1 4.18Å; A614-H673 HydrophobicContact CB-CB 4.05Å; A614-E674 HydrophobicContact CB-CB 4.12Å; A614-E674 WeakPolarHBondContact CB-OE2 3.28Å; A614-L700 HydrophobicContact CB-CD2 3.85Å
615	R	95.5	Very high	90.3	Very high	87 Å²	87	32.9 Å²	32.9	33%	0.328	17%	0.17	S	C	.	.	H	α-helix	trans	-59.1	-42.1	173.4	-71.6	-165	-71.6	-163.7	-9.1	113	H611 E612 L613 E618 A619 L700 E819	H611-R615 PolarHBondContact O-N 3.05Å; E612-R615 PolarHBondContact O-N 3.14Å; E612-R615 IonicContact OE2-CZ 3.81Å; E612-R615 IonicContact OE2-NE 3.58Å; E612-R615 PolarHBondContact OE2-NE 3.14Å; E612-R615 IonicContact OE2-NH2 3.29Å; E612-R615 PolarHBondContact OE2-NH2 2.93Å; L613-R615 PolarHBondContact O-N 3.16Å; R615-E618 PolarHBondContact O-N 3.21Å; R615-A619 VanDerWaalsContact O-CB 3.29Å; R615-A619 WeakPolarHBondContact O-CB 3.28Å; R615-A619 PolarHBondContact O-N 3.23Å; R615-L700 HydrophobicContact CB-CD1 4.29Å; R615-L700 HydrophobicContact CG-CD1 3.73Å; R615-E819 IonicContact NH1-OE1 3.01Å; R615-E819 PolarHBondContact NH1-OE1 3.48Å
616	L	93.9	Very high	88.2	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-67.9	-37.2	179.4	-68.9	178.4	0	0	0	112.7	R264 A267 L268 E612 L613 A614 R621 F622	R264-L616 HydrophobicContact CG-CD2 4.43Å; A267-L616 HydrophobicContact CB-CD1 4.26Å; L268-L616 HydrophobicContact CD2-CD1 4.19Å; L268-L616 HydrophobicContact CG-CD1 4.13Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.45Å; E612-L616 PolarHBondContact O-N 3.31Å; L613-L616 PolarHBondContact O-N 2.98Å; A614-L616 PolarHBondContact O-N 2.95Å; L616-R621 WeakPolarHBondContact O-CB 3.13Å; L616-R621 PolarHBondContact O-N 2.65Å; L616-R621 VanDerWaalsContact O-N 3.09Å; L616-F622 HydrophobicContact CB-CD2 4.44Å; L616-F622 HydrophobicContact CB-CE2 3.5Å; L616-F622 HydrophobicContact CB-CZ 3.79Å; L616-F622 HydrophobicContact CD1-CE2 4.47Å; L616-F622 HydrophobicContact CD1-CZ 3.96Å
617	H	93.6	Very high	85.2	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-48.1	173.2	-85.5	-75.7	0	0	0	111.7	E293 L613 A614 A619 G620 F622 V670 H673	E293-H617 IonicContact OE1-CD2 3.17Å; E293-H617 IonicContact OE1-CE1 3.43Å; E293-H617 PolarHBondContact OE1-CE1 2.85Å; E293-H617 IonicContact OE1-NE2 3.37Å; E293-H617 PolarHBondContact OE1-NE2 2.71Å; L613-H617 PolarHBondContact O-CD2 3.2Å; L613-H617 VanDerWaalsContact O-CD2 3.26Å; L613-H617 PolarHBondContact O-N 3.06Å; A614-H617 PolarHBondContact O-N 2.89Å; H617-A619 VanDerWaalsContact C-N 3.31Å; H617-A619 PolarHBondContact O-N 3.35Å; H617-G620 WeakPolarHBondContact O-CA 3.04Å; H617-G620 PolarHBondContact O-N 2.89Å; H617-F622 HydrophobicContact CB-CD2 4.45Å; H617-F622 AromaticContact CD2-CD2 3.78Å; H617-F622 AromaticContact CD2-CE2 3.82Å; H617-F622 AromaticContact CE1-CD2 3.53Å; H617-F622 AromaticContact CG-CD2 3.66Å; H617-F622 AromaticContact ND1-CD2 3.5Å; H617-F622 AromaticContact NE2-CD2 3.69Å; H617-F622 AromaticContact NE2-CE2 3.9Å; H617-V670 HydrophobicContact CB-CG2 3.53Å; H617-H673 AromaticContact CD2-CD2 3.78Å; H617-H673 AromaticContact NE2-NE2 3.93Å
618	E	93	Very high	82	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-37.2	178.2	-172.8	179.2	-138	0	0	112	A614 R615 G620 I665 W667 V670 L700 L701	A614-E618 PolarHBondContact O-N 2.98Å; R615-E618 PolarHBondContact O-N 3.21Å; E618-G620 PolarHBondContact O-N 3.46Å; E618-I665 WeakPolarHBondContact O-CD1 3.43Å; E618-W667 HydrophobicContact CG-CH2 3.9Å; E618-W667 HydrophobicContact CG-CZ3 4.01Å; E618-V670 HydrophobicContact CB-CG1 4.36Å; E618-V670 HydrophobicContact CB-CG2 4.22Å; E618-L700 HydrophobicContact CB-CD1 4.01Å; E618-L700 WeakPolarHBondContact OE2-CA 3.48Å; E618-L700 WeakPolarHBondContact OE2-CD1 3.33Å; E618-L700 VanDerWaalsContact OE2-CG 3.29Å; E618-L700 WeakPolarHBondContact OE2-CG 3.46Å; E618-L701 PolarHBondContact OE1-N 3.03Å
619	A	90.3	Very high	79	Confident	55 Å²	55	55.8 Å²	55.8	46%	0.455	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-2.8	172.8	0	0	0	0	0	113.7	R615 H617 R621	R615-A619 VanDerWaalsContact O-CB 3.29Å; R615-A619 WeakPolarHBondContact O-CB 3.28Å; R615-A619 PolarHBondContact O-N 3.23Å; H617-A619 VanDerWaalsContact C-N 3.31Å; H617-A619 PolarHBondContact O-N 3.35Å; A619-R621 VanDerWaalsContact C-N 3.27Å; A619-R621 PolarHBondContact O-N 3.41Å
620	G	88.4	Confident	75.7	Confident	7 Å²	7	59 Å²	59	7%	0.072	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	25.9	178.7	0	0	0	0	0	113	H617 E618 F622 I623	H617-G620 WeakPolarHBondContact O-CA 3.04Å; H617-G620 PolarHBondContact O-N 2.89Å; E618-G620 PolarHBondContact O-N 3.46Å; G620-F622 VanDerWaalsContact C-N 3.29Å; G620-F622 PolarHBondContact O-N 3Å; G620-I623 WeakPolarHBondContact O-CG1 2.98Å; G620-I623 PolarHBondContact O-N 3.17Å
621	R	87.8	Confident	72.5	Confident	83 Å²	83	64.1 Å²	64.1	31%	0.313	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.8	-175.1	-169.9	171.9	-179.9	-153.5	-8.4	113.2	L268 L616 A619	L268-R621 VanDerWaalsContact CD2-NH2 3.29Å; L616-R621 WeakPolarHBondContact O-CB 3.13Å; L616-R621 PolarHBondContact O-N 2.65Å; L616-R621 VanDerWaalsContact O-N 3.09Å; A619-R621 VanDerWaalsContact C-N 3.27Å; A619-R621 PolarHBondContact O-N 3.41Å
622	F	87.5	Confident	69.4	Low	42 Å²	42	70.1 Å²	70.1	18%	0.184	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	7.9	-177.6	-52.6	-59.7	0	0	0	113.2	L268 H271 L616 H617 G620 P624	L268-F622 HydrophobicContact CD2-CE1 4.23Å; L268-F622 HydrophobicContact CD2-CZ 4.44Å; H271-F622 HydrophobicContact CB-CE1 4.27Å; H271-F622 HydrophobicContact CB-CZ 4.09Å; H271-F622 AromaticContact CD2-CD1 3.47Å; H271-F622 VanDerWaalsContact CD2-CD1 3.47Å; H271-F622 WeakPolarHBondContact CD2-CD1 3.21Å; H271-F622 AromaticContact CD2-CE1 3.25Å; H271-F622 WeakPolarHBondContact CD2-CE1 3.46Å; H271-F622 AromaticContact CD2-CZ 3.84Å; H271-F622 AromaticContact CE1-CD1 3.65Å; H271-F622 AromaticContact CE1-CD2 3.9Å; H271-F622 AromaticContact CE1-CE1 3.95Å; H271-F622 AromaticContact CE1-CG 3.61Å; H271-F622 AromaticContact CG-CE1 3.59Å; H271-F622 AromaticContact CG-CZ 3.66Å; H271-F622 AromaticContact ND1-CE2 3.98Å; H271-F622 AromaticContact ND1-CZ 3.9Å; H271-F622 AromaticContact NE2-CD1 3.18Å; H271-F622 WeakPolarHBondContact NE2-CD1 3.21Å; H271-F622 AromaticContact NE2-CE1 3.53Å; H271-F622 AromaticContact NE2-CG 3.6Å; L616-F622 HydrophobicContact CB-CD2 4.44Å; L616-F622 HydrophobicContact CB-CE2 3.5Å; L616-F622 HydrophobicContact CB-CZ 3.79Å; L616-F622 HydrophobicContact CD1-CE2 4.47Å; L616-F622 HydrophobicContact CD1-CZ 3.96Å; H617-F622 HydrophobicContact CB-CD2 4.45Å; H617-F622 AromaticContact CD2-CD2 3.78Å; H617-F622 AromaticContact CD2-CE2 3.82Å; H617-F622 AromaticContact CE1-CD2 3.53Å; H617-F622 AromaticContact CG-CD2 3.66Å; H617-F622 AromaticContact ND1-CD2 3.5Å; H617-F622 AromaticContact NE2-CD2 3.69Å; H617-F622 AromaticContact NE2-CE2 3.9Å; G620-F622 VanDerWaalsContact C-N 3.29Å; G620-F622 PolarHBondContact O-N 3Å; F622-P624 WeakPolarHBondContact O-CD 3.38Å
623	I	83.9	Confident	66.2	Low	26 Å²	26	71.8 Å²	71.8	13%	0.133	39%	0.386	C	S	.	.			trans	-66.7	120.2	-180	-63.9	172.1	0	0	0	110.1	G620 L664 I665	G620-I623 WeakPolarHBondContact O-CG1 2.98Å; G620-I623 PolarHBondContact O-N 3.17Å; I623-L664 HydrophobicContact CD1-CB 3.82Å; I623-L664 HydrophobicContact CG1-CB 4.26Å; I623-L664 HydrophobicContact CG2-CB 3.82Å; I623-L664 HydrophobicContact CG2-CD2 3.55Å; I623-L664 HydrophobicContact CG2-CG 4.31Å; I623-I665 HydrophobicContact CD1-CG1 4.12Å
624	P	68	Low	63.2	Low	76 Å²	76	78 Å²	78	49%	0.494	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	140.7	174.1	-7	18.5	0	0	0	110.3	F622	F622-P624 WeakPolarHBondContact O-CD 3.38Å
625	N	55.4	Low	59.8	Low	166 Å²	166	82.4 Å²	82.4	89%	0.888	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	10.9	175.3	-57.2	-31	0	0	0	119.5	G627	N625-G627 VanDerWaalsContact C-N 3.28Å; N625-G627 PolarHBondContact O-N 3.15Å
626	K	47.9	Very low	56.6	Low	142 Å²	142	80.3 Å²	80.3	62%	0.617	47%	0.468	S	S	*	.	S	Bend	trans	-70.5	96	147.3	-84.4	-174.8	179.8	173.5	0	107.3
627	G	32.3	Very low	53.5	Low	51 Å²	51	88.8 Å²	88.8	53%	0.526	51%	0.508	S	S	.	.			trans	-46	142.3	-175.4	0	0	0	0	0	113.3	N625 S630	N625-G627 VanDerWaalsContact C-N 3.28Å; N625-G627 PolarHBondContact O-N 3.15Å; G627-S630 PolarHBondContact O-OG 3.25Å
628	H	28.7	Very low	50.5	Low	177 Å²	177	91.8 Å²	91.8	82%	0.819	54%	0.542	S	S	*	.	S	Bend	trans	44.9	88.8	157.4	-107	83.1	0	0	0	114.2	S630	H628-S630 WeakPolarHBondContact O-CA 3.41Å; H628-S630 WeakPolarHBondContact O-CB 3.24Å; H628-S630 PolarHBondContact O-N 3.41Å
629	W	31.4	Very low	47.6	Very low	192 Å²	192	97.9 Å²	97.9	73%	0.727	57%	0.574	S	S	*	*	S	Bend	trans	15.8	64	166.6	-76.6	95.8	0	0	0	112.7	H631	W629-H631 VanDerWaalsContact C-N 3.26Å; W629-H631 PolarHBondContact O-N 3.29Å
630	S	28	Very low	44.6	Very low	68 Å²	68	104.8 Å²	104.8	48%	0.476	59%	0.594	S	S	.	*			trans	-85.7	85.5	-163	25.2	0	0	0	0	106.4	G627 H628 V632	G627-S630 PolarHBondContact O-OG 3.25Å; H628-S630 WeakPolarHBondContact O-CA 3.41Å; H628-S630 WeakPolarHBondContact O-CB 3.24Å; H628-S630 PolarHBondContact O-N 3.41Å; S630-V632 PolarHBondContact O-N 3.43Å
631	H	31.1	Very low	41.9	Very low	107 Å²	107	111.9 Å²	111.9	50%	0.495	63%	0.63	S	S	.	*	S	Bend		33.5	29.9	126.5	-136.4	-73	0	0	0	118.6	W629 G636	W629-H631 VanDerWaalsContact C-N 3.26Å; W629-H631 PolarHBondContact O-N 3.29Å; H631-G636 PolarHBondContact CE1-O 2.68Å; H631-G636 PolarHBondContact ND1-O 2.97Å
632	V	30.4	Very low	39.1	Very low	139 Å²	139	116.8 Å²	116.8	84%	0.842	65%	0.653	S	S	*	*			trans	-135.4	78.8	179	-170.2	0	0	0	0	106.3	S630	S630-V632 PolarHBondContact O-N 3.43Å
633	G	29.4	Very low	36.3	Very low	54 Å²	54	122 Å²	122	56%	0.557	68%	0.683	S	S	*	*	S	Bend	trans	163	-10.8	-177	0	0	0	0	0	114.1
634	L	32.9	Very low	33.8	Very low	131 Å²	131	126.2 Å²	126.2	69%	0.686	72%	0.715	S	S	*	*	S	Bend	trans	-134.1	116.3	163.6	-76.4	165.7	0	0	0	106.9	G636	L634-G636 PolarHBondContact O-N 3.06Å
635	G	26.9	Very low	31.9	Very low	91 Å²	91	129 Å²	129	94%	0.938	74%	0.735	S	S	*	*			trans	-54.8	117.6	-173.3	0	0	0	0	0	113.9
636	G	27.9	Very low	30.6	Very low	43 Å²	43	129.9 Å²	129.9	44%	0.443	73%	0.734	S	S	.	*			trans	-166.6	102.7	167.7	0	0	0	0	0	110.5	H631 L634 G638	H631-G636 PolarHBondContact CE1-O 2.68Å; H631-G636 PolarHBondContact ND1-O 2.97Å; L634-G636 PolarHBondContact O-N 3.06Å; G636-G638 PolarHBondContact O-N 3.02Å
637	E	28.7	Very low	29.7	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	74%	0.743	S	S	*	*			trans	-63.7	120.8	173.7	-69.6	-179.2	144.1	0	0	110.7	I639	E637-I639 PolarHBondContact O-N 3.16Å
638	G	30.1	Very low	29.5	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	75%	0.749	S	S	*	*			trans	-80	101	172.5	0	0	0	0	0	111.9	G636 F640	G636-G638 PolarHBondContact O-N 3.02Å; G638-F640 PolarHBondContact O-N 2.81Å
639	I	32.1	Very low	29.5	Very low	145 Å²	145	132.5 Å²	132.5	74%	0.744	75%	0.754	S	S	*	*			trans	-79	113.8	164.7	-63.4	175.9	0	0	0	108.5	E637 N641	E637-I639 PolarHBondContact O-N 3.16Å; I639-N641 PolarHBondContact O-N 3.49Å
640	F	28.4	Very low	29.5	Very low	200 Å²	200	132.5 Å²	132.5	88%	0.877	76%	0.76	S	S	*	*			trans	-57.3	115.4	168.9	-91.1	-97.2	0	0	0	111	G638	G638-F640 PolarHBondContact O-N 2.81Å
641	N	30.8	Very low	29.6	Very low	155 Å²	155	138.2 Å²	138.2	83%	0.829	78%	0.779	S	S	*	*			trans	-98.9	108.9	156.6	-91.6	-20.6	0	0	0	109.3	I639 D643	I639-N641 PolarHBondContact O-N 3.49Å; N641-D643 PolarHBondContact O-N 2.95Å
642	K	28.2	Very low	29.5	Very low	186 Å²	186	142.4 Å²	142.4	81%	0.809	80%	0.799	S	S	*	*			trans	-48.9	125.4	157.9	-83.8	169.8	167.9	169.5	0	108.8
643	D	29.8	Very low	29.6	Very low	152 Å²	152	140.6 Å²	140.6	81%	0.813	79%	0.792	S	S	*	*				175.4	130	124.2	-82.5	-20.3	0	0	0	111.9	N641	N641-D643 PolarHBondContact O-N 2.95Å
644	S	30.3	Very low	29.6	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	80%	0.803	S	S	*	*			trans	75.6	92.7	155.6	68.8	0	0	0	0	121
645	C	29.8	Very low	29.5	Very low	136 Å²	136	147.6 Å²	147.6	92%	0.919	81%	0.812	S	S	*	*				179.8	124.8	110.5	-104	0	0	0	0	110.9
646	E	26.8	Very low	29.8	Very low	184 Å²	184	153 Å²	153	86%	0.86	81%	0.813	S	S	*	*			trans	-78.7	161.6	175.8	-69.6	176.6	144.3	0	0	112.6
647	V	29.8	Very low	30.2	Very low	132 Å²	132	154.4 Å²	154.4	80%	0.8	82%	0.819	S	S	*	*			trans	93.1	94.7	154	-158.5	0	0	0	0	117
648	S	28.6	Very low	30.8	Very low	94 Å²	94	153.2 Å²	153.2	66%	0.657	82%	0.819	S	S	*	*				-177.2	116.3	85.4	57.4	0	0	0	0	110.4	F650	S648-F650 PolarHBondContact O-N 3.38Å
649	E	28	Very low	31.7	Very low	199 Å²	199	155.9 Å²	155.9	93%	0.93	82%	0.816	S	S	*	*			trans	-60.8	115.7	169.4	-71.6	167.4	147.1	0	0	109.8
650	F	31.2	Very low	33.2	Very low	192 Å²	192	154.2 Å²	154.2	84%	0.842	81%	0.808	S	S	*	*			trans	-125.9	127.5	157.6	-96.1	-86.8	0	0	0	108.2	S648 E652	S648-F650 PolarHBondContact O-N 3.38Å; F650-E652 PolarHBondContact O-N 3.5Å
651	E	29.7	Very low	35	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	79%	0.791	S	S	*	*			trans	-60.1	115.6	-163.6	-61.8	169.8	145.6	0	0	113.2	S653	E651-S653 PolarHBondContact O-N 3.31Å
652	E	29.8	Very low	36.9	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	76%	0.764	S	S	*	*			trans	-82.7	97.7	165	-118.2	172.9	-173.2	0	0	108.7	F650	F650-E652 PolarHBondContact O-N 3.5Å
653	S	31.4	Very low	39	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	76%	0.756	S	S	*	*			trans	-91.1	105.7	170.2	47.5	0	0	0	0	110	E651	E651-S653 PolarHBondContact O-N 3.31Å
654	H	29.3	Very low	41.6	Very low	169 Å²	169	135.3 Å²	135.3	78%	0.782	74%	0.735	S	S	*	*			trans	44	107.1	139.7	-60.1	-67.1	0	0	0	119.5
655	N	31.3	Very low	44.5	Very low	163 Å²	163	131 Å²	131	87%	0.872	70%	0.702	S	S	*	*			trans	-164.8	64.9	130.6	-88.8	-27.9	0	0	0	110.3	A657	N655-A657 PolarHBondContact O-N 2.95Å
656	E	33.7	Very low	47.4	Very low	205 Å²	205	126.9 Å²	126.9	96%	0.958	67%	0.672	S	S	*	*			trans	-79.5	90.4	161.7	-74.9	-176.7	155.4	0	0	108.4
657	A	37.3	Very low	50.6	Low	71 Å²	71	118.9 Å²	118.9	59%	0.587	63%	0.633	S	S	*	*			trans	-137.5	108.5	173.6	0	0	0	0	0	110.6	N655	N655-A657 PolarHBondContact O-N 2.95Å
658	N	39.8	Very low	53.6	Low	163 Å²	163	115.4 Å²	115.4	87%	0.872	62%	0.615	S	S	*	*			trans	50	63.2	151.9	-74.4	-6.6	0	0	0	119.5
659	N	50	Low	56.7	Low	130 Å²	130	110.9 Å²	110.9	70%	0.695	58%	0.584	S	S	*	*			trans	-101.5	84	164.7	-75.7	-16.6	0	0	0	110	L664	N659-L664 HydrophobicContact CB-CD1 3.87Å
660	D	62.6	Low	59.9	Low	109 Å²	109	101.4 Å²	101.4	58%	0.583	54%	0.539	S	S	*	.			trans	-58.7	128.9	167.9	-107.5	-28.9	0	0	0	108.3	V662 T663	D660-V662 PolarHBondContact O-N 3.16Å; D660-T663 HydrophobicContact CB-CG2 4.28Å; D660-T663 PolarHBondContact O-N 3.17Å; D660-T663 PolarHBondContact O-OG1 3.46Å
661	P	66.2	Low	63	Low	80 Å²	80	92.6 Å²	92.6	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-56.7	-27.2	-173.7	22.3	-33.4	0	0	0	113	T663 L664	P661-T663 VanDerWaalsContact C-N 3.27Å; P661-T663 PolarHBondContact O-N 3.28Å; P661-L664 PolarHBondContact O-N 3.33Å
662	V	70.4	Confident	66.2	Low	42 Å²	42	85.7 Å²	85.7	26%	0.255	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-31.6	176.8	-174	0	0	0	0	112.6	D660 L664 W667 E703	D660-V662 PolarHBondContact O-N 3.16Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-W667 HydrophobicContact CG1-CZ2 4.03Å; V662-W667 PolarHBondContact O-NE1 3.03Å; V662-E703 HydrophobicContact CG1-CB 4.22Å; V662-E703 WeakPolarHBondContact CG2-OE2 3.49Å
663	T	73.3	Confident	69.4	Low	103 Å²	103	76.4 Å²	76.4	63%	0.632	42%	0.424	S	S	*	.	H	α-helix	trans	-81.6	-14.1	-177.6	66	0	0	0	0	113.3	D660 P661	D660-T663 HydrophobicContact CB-CG2 4.28Å; D660-T663 PolarHBondContact O-N 3.17Å; D660-T663 PolarHBondContact O-OG1 3.46Å; P661-T663 VanDerWaalsContact C-N 3.27Å; P661-T663 PolarHBondContact O-N 3.28Å
664	L	85.2	Confident	72.5	Confident	72 Å²	72	71.6 Å²	71.6	38%	0.377	39%	0.391	S	S	.	.	H	α-helix	trans	-91.9	-15.3	177.4	-77.9	89.5	0	0	0	113.2	I623 N659 P661 V662	I623-L664 HydrophobicContact CD1-CB 3.82Å; I623-L664 HydrophobicContact CG1-CB 4.26Å; I623-L664 HydrophobicContact CG2-CB 3.82Å; I623-L664 HydrophobicContact CG2-CD2 3.55Å; I623-L664 HydrophobicContact CG2-CG 4.31Å; N659-L664 HydrophobicContact CB-CD1 3.87Å; P661-L664 PolarHBondContact O-N 3.33Å; V662-L664 VanDerWaalsContact C-N 3.34Å
665	I	89.5	Confident	75.7	Confident	22 Å²	22	67.9 Å²	67.9	11%	0.113	37%	0.37	C	S	.	.	S	Bend	trans	-69	131.6	177.8	-65.3	166.1	0	0	0	109.2	E618 I623 W667 V670	E618-I665 WeakPolarHBondContact O-CD1 3.43Å; I623-I665 HydrophobicContact CD1-CG1 4.12Å; I665-W667 VanDerWaalsContact C-N 3.29Å; I665-W667 HydrophobicContact CB-CZ2 4.41Å; I665-W667 HydrophobicContact CD1-CZ2 3.91Å; I665-W667 HydrophobicContact CG2-CD2 3.93Å; I665-W667 HydrophobicContact CG2-CE3 4.37Å; I665-W667 HydrophobicContact CG2-CG 4.2Å; I665-W667 HydrophobicContact CG2-CZ2 4.24Å; I665-W667 VanDerWaalsContact O-CD1 3.22Å; I665-W667 PolarHBondContact O-N 3.32Å; I665-V670 HydrophobicContact CG2-CG2 4.09Å
666	D	91.4	Very high	78.7	Confident	51 Å²	51	61.3 Å²	61.3	27%	0.273	33%	0.334	S	S	.	.			trans	-77.7	81.6	170.1	-175.7	0	0	0	0	110.9	S292 S668 A669 V670	S292-D666 WeakPolarHBondContact CB-OD2 3.33Å; S292-D666 PolarHBondContact OG-OD2 2.84Å; D666-S668 PolarHBondContact O-N 3.13Å; D666-S668 VanDerWaalsContact O-N 3.14Å; D666-S668 WeakPolarHBondContact OD1-CB 3.32Å; D666-S668 PolarHBondContact OD1-N 3.02Å; D666-S668 PolarHBondContact OD1-OG 3.35Å; D666-A669 HydrophobicContact CB-CB 4.19Å; D666-A669 PolarHBondContact O-N 2.89Å; D666-A669 VanDerWaalsContact O-N 3.1Å; D666-A669 PolarHBondContact OD1-N 3.21Å; D666-A669 WeakPolarHBondContact OD2-CB 3.23Å; D666-V670 WeakPolarHBondContact O-CG2 3.44Å; D666-V670 PolarHBondContact O-N 2.97Å; D666-V670 VanDerWaalsContact O-N 3.16Å
667	W	93.5	Very high	81.7	Confident	15 Å²	15	51.6 Å²	51.6	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-21.1	177.6	-68.3	102.3	0	0	0	113.6	E618 V662 I665 V670 L671 L701 E703 C704 P705 I706	E618-W667 HydrophobicContact CG-CH2 3.9Å; E618-W667 HydrophobicContact CG-CZ3 4.01Å; V662-W667 HydrophobicContact CG1-CZ2 4.03Å; V662-W667 PolarHBondContact O-NE1 3.03Å; I665-W667 VanDerWaalsContact C-N 3.29Å; I665-W667 HydrophobicContact CB-CZ2 4.41Å; I665-W667 HydrophobicContact CD1-CZ2 3.91Å; I665-W667 HydrophobicContact CG2-CD2 3.93Å; I665-W667 HydrophobicContact CG2-CE3 4.37Å; I665-W667 HydrophobicContact CG2-CG 4.2Å; I665-W667 HydrophobicContact CG2-CZ2 4.24Å; I665-W667 VanDerWaalsContact O-CD1 3.22Å; I665-W667 PolarHBondContact O-N 3.32Å; W667-V670 HydrophobicContact CE3-CB 4.4Å; W667-V670 HydrophobicContact CE3-CG2 4.27Å; W667-L671 WeakPolarHBondContact O-CB 3.34Å; W667-L671 WeakPolarHBondContact O-CG 3.28Å; W667-L671 PolarHBondContact O-N 3.23Å; W667-L671 VanDerWaalsContact O-N 3.08Å; W667-L701 HydrophobicContact CE3-CD2 3.99Å; W667-L701 HydrophobicContact CZ3-CD2 4.07Å; W667-E703 HydrophobicContact CH2-CB 4.29Å; W667-E703 HydrophobicContact CZ2-CB 4.27Å; W667-C704 HydrophobicContact CD2-CB 4.27Å; W667-C704 HydrophobicContact CE3-CB 3.71Å; W667-C704 HydrophobicContact CH2-CB 4.49Å; W667-C704 HydrophobicContact CZ3-CB 3.85Å; W667-P705 VanDerWaalsContact CD1-CD 3.42Å; W667-P705 VanDerWaalsContact CG-CD 3.48Å; W667-P705 HydrophobicContact CG-CG 4Å; W667-I706 HydrophobicContact CB-CD1 3.98Å
668	S	93.2	Very high	84.4	Confident	59 Å²	59	48.2 Å²	48.2	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-71.6	-39.3	175.9	78.9	0	0	0	0	111.3	D666 F672	D666-S668 PolarHBondContact O-N 3.13Å; D666-S668 VanDerWaalsContact O-N 3.14Å; D666-S668 WeakPolarHBondContact OD1-CB 3.32Å; D666-S668 PolarHBondContact OD1-N 3.02Å; D666-S668 PolarHBondContact OD1-OG 3.35Å; S668-F672 VanDerWaalsContact O-CB 3.27Å; S668-F672 WeakPolarHBondContact O-CB 3.21Å; S668-F672 PolarHBondContact O-N 3.44Å
669	A	94.4	Very high	87	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-40.3	173.4	0	0	0	0	0	112.3	A290 D666 L671 F672 H673	A290-A669 HydrophobicContact CB-CB 3.76Å; D666-A669 HydrophobicContact CB-CB 4.19Å; D666-A669 PolarHBondContact O-N 2.89Å; D666-A669 VanDerWaalsContact O-N 3.1Å; D666-A669 PolarHBondContact OD1-N 3.21Å; D666-A669 WeakPolarHBondContact OD2-CB 3.23Å; A669-L671 PolarHBondContact O-N 3.43Å; A669-F672 PolarHBondContact O-N 3.26Å; A669-H673 PolarHBondContact O-CD2 3.09Å; A669-H673 PolarHBondContact O-N 2.98Å
670	V	95.9	Very high	89	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-52.5	174.2	-173.5	0	0	0	0	110.2	A614 H617 E618 I665 D666 W667 F672 H673 E674 L700 L701	A614-V670 HydrophobicContact CB-CG1 4.18Å; H617-V670 HydrophobicContact CB-CG2 3.53Å; E618-V670 HydrophobicContact CB-CG1 4.36Å; E618-V670 HydrophobicContact CB-CG2 4.22Å; I665-V670 HydrophobicContact CG2-CG2 4.09Å; D666-V670 WeakPolarHBondContact O-CG2 3.44Å; D666-V670 PolarHBondContact O-N 2.97Å; D666-V670 VanDerWaalsContact O-N 3.16Å; W667-V670 HydrophobicContact CE3-CB 4.4Å; W667-V670 HydrophobicContact CE3-CG2 4.27Å; V670-F672 PolarHBondContact O-N 3.32Å; V670-H673 PolarHBondContact O-N 3.5Å; V670-E674 VanDerWaalsContact O-CB 3.3Å; V670-E674 WeakPolarHBondContact O-CB 3.48Å; V670-E674 PolarHBondContact O-N 2.86Å; V670-L700 HydrophobicContact CG1-CD2 3.91Å; V670-L700 HydrophobicContact CG1-CG 4.27Å; V670-L701 HydrophobicContact CB-CD2 4.12Å; V670-L701 HydrophobicContact CG1-CD2 3.46Å; V670-L701 VanDerWaalsContact CG1-CD2 3.46Å; V670-L701 HydrophobicContact CG1-CG 4.25Å
671	L	95.4	Very high	90.4	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.9	-76.5	172.7	0	0	0	113	W667 A669 R675 Y692 L701 I706	W667-L671 WeakPolarHBondContact O-CB 3.34Å; W667-L671 WeakPolarHBondContact O-CG 3.28Å; W667-L671 PolarHBondContact O-N 3.23Å; W667-L671 VanDerWaalsContact O-N 3.08Å; A669-L671 PolarHBondContact O-N 3.43Å; L671-R675 WeakPolarHBondContact O-CB 2.9Å; L671-R675 VanDerWaalsContact O-CG 3.24Å; L671-R675 WeakPolarHBondContact O-CG 3.46Å; L671-R675 PolarHBondContact O-N 3.49Å; L671-Y692 HydrophobicContact CD2-CD1 4.47Å; L671-Y692 HydrophobicContact CD2-CE1 3.95Å; L671-Y692 HydrophobicContact CD2-CE2 4.18Å; L671-L701 HydrophobicContact CD2-CD1 3.65Å; L671-L701 HydrophobicContact CD2-CD2 3.79Å; L671-L701 HydrophobicContact CD2-CG 4.38Å; L671-L701 HydrophobicContact CG-CD2 4.03Å; L671-I706 HydrophobicContact CD1-CB 3.86Å; L671-I706 HydrophobicContact CD1-CD1 3.74Å; L671-I706 HydrophobicContact CD1-CG1 4.4Å; L671-I706 HydrophobicContact CD1-CG2 3.79Å
672	F	96.4	Very high	91.8	Very high	43 Å²	43	28.7 Å²	28.7	19%	0.189	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-54.6	177.8	173	-89.9	0	0	0	110.7	D288 L289 A290 S668 A669 V670 R675 H676	D288-F672 HydrophobicContact CB-CZ 4.23Å; L289-F672 WeakPolarHBondContact O-CZ 3.47Å; A290-F672 HydrophobicContact CB-CB 3.93Å; A290-F672 HydrophobicContact CB-CD1 3.7Å; A290-F672 HydrophobicContact CB-CD2 4.48Å; A290-F672 HydrophobicContact CB-CE1 4.37Å; A290-F672 HydrophobicContact CB-CG 3.79Å; S668-F672 VanDerWaalsContact O-CB 3.27Å; S668-F672 WeakPolarHBondContact O-CB 3.21Å; S668-F672 PolarHBondContact O-N 3.44Å; A669-F672 PolarHBondContact O-N 3.26Å; V670-F672 PolarHBondContact O-N 3.32Å; F672-R675 PolarHBondContact O-N 2.77Å; F672-H676 AromaticContact CD2-CE1 3.59Å; F672-H676 AromaticContact CD2-ND1 3.94Å; F672-H676 AromaticContact CE1-CE1 3.9Å; F672-H676 AromaticContact CE1-ND1 3.85Å; F672-H676 AromaticContact CE2-CE1 3.15Å; F672-H676 WeakPolarHBondContact CE2-CE1 3.46Å; F672-H676 AromaticContact CE2-ND1 3.81Å; F672-H676 AromaticContact CE2-NE2 3.91Å; F672-H676 AromaticContact CZ-CE1 3.31Å; F672-H676 WeakPolarHBondContact CZ-CE1 3.18Å; F672-H676 AromaticContact CZ-ND1 3.75Å; F672-H676 AromaticContact CZ-NE2 3.79Å; F672-H676 PolarHBondContact O-N 3.37Å; F672-H676 VanDerWaalsContact O-N 3.15Å; F672-H676 PolarHBondContact O-ND1 3.39Å
673	H	97.3	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-38.5	-177.7	-71.8	-49.4	0	0	0	112.3	E293 H610 L613 A614 H617 A669 V670 R675 H676 A677	E293-H673 IonicContact OE1-NE2 3.7Å; E293-H673 PolarHBondContact OE1-NE2 2.97Å; E293-H673 IonicContact OE2-CE1 2.71Å; E293-H673 PolarHBondContact OE2-CE1 3.01Å; E293-H673 IonicContact OE2-NE2 3.92Å; E293-H673 PolarHBondContact OE2-NE2 2.96Å; H610-H673 HydrophobicContact CB-CB 4.48Å; H610-H673 AromaticContact CE1-ND1 3.85Å; H610-H673 AromaticContact ND1-CE1 3.97Å; H610-H673 AromaticContact ND1-ND1 3.15Å; H610-H673 PolarHBondContact ND1-ND1 3.3Å; H610-H673 VanDerWaalsContact ND1-ND1 3.15Å; H610-H673 WeakPolarHBondContact O-CB 3.4Å; L613-H673 HydrophobicContact CB-CB 4.23Å; A614-H673 HydrophobicContact CB-CB 4.05Å; H617-H673 AromaticContact CD2-CD2 3.78Å; H617-H673 AromaticContact NE2-NE2 3.93Å; A669-H673 PolarHBondContact O-CD2 3.09Å; A669-H673 PolarHBondContact O-N 2.98Å; V670-H673 PolarHBondContact O-N 3.5Å; H673-R675 VanDerWaalsContact C-N 3.34Å; H673-R675 PolarHBondContact O-N 3.44Å; H673-H676 PolarHBondContact O-N 2.78Å; H673-A677 WeakPolarHBondContact O-CB 3.38Å; H673-A677 PolarHBondContact O-N 2.76Å
674	E	97	Very high	93.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-38.4	178.9	-163.6	67.5	175.5	0	0	112.2	H611 A614 V670 A677 A678 A685 V688 M689 L700	H611-E674 IonicContact CE1-OE1 3.68Å; H611-E674 PolarHBondContact CE1-OE1 2.97Å; H611-E674 VanDerWaalsContact CE1-OE1 3.29Å; H611-E674 IonicContact CE1-OE2 3.54Å; H611-E674 IonicContact CG-OE2 2.65Å; H611-E674 VanDerWaalsContact ND1-CD 3.32Å; H611-E674 IonicContact ND1-OE1 2.71Å; H611-E674 PolarHBondContact ND1-OE1 2.64Å; H611-E674 IonicContact ND1-OE2 3.94Å; H611-E674 PolarHBondContact ND1-OE2 3.16Å; A614-E674 HydrophobicContact CB-CB 4.12Å; A614-E674 WeakPolarHBondContact CB-OE2 3.28Å; V670-E674 VanDerWaalsContact O-CB 3.3Å; V670-E674 WeakPolarHBondContact O-CB 3.48Å; V670-E674 PolarHBondContact O-N 2.86Å; E674-A677 PolarHBondContact O-N 3.49Å; E674-A678 WeakPolarHBondContact O-CB 3.36Å; E674-A678 PolarHBondContact O-N 2.97Å; E674-A685 HydrophobicContact CG-CB 4.41Å; E674-A685 VanDerWaalsContact OE1-CA 3.27Å; E674-A685 WeakPolarHBondContact OE1-CA 3.43Å; E674-V688 HydrophobicContact CG-CB 4.4Å; E674-V688 HydrophobicContact CG-CG1 3.91Å; E674-V688 VanDerWaalsContact OE1-CB 3.24Å; E674-V688 WeakPolarHBondContact OE1-CB 3.29Å; E674-V688 WeakPolarHBondContact OE1-CG1 3.4Å; E674-V688 WeakPolarHBondContact OE1-CG2 3.44Å; E674-M689 HydrophobicContact CB-SD 4.07Å; E674-M689 HydrophobicContact CG-CG 4.13Å; E674-M689 HydrophobicContact CG-SD 3.72Å; E674-L700 HydrophobicContact CB-CD2 4.27Å; E674-L700 VanDerWaalsContact CD-CD2 3.43Å; E674-L700 HydrophobicContact CG-CD2 3.88Å
675	R	95.6	Very high	94.3	Very high	91 Å²	91	24.2 Å²	24.2	34%	0.343	12%	0.119	S	C	.	.	H	α-helix	trans	-62.7	-45.6	172.9	-77.6	174.4	176.7	152.9	2.3	112.5	L671 F672 H673 A677 A678 Q679 M689 Y693	L671-R675 WeakPolarHBondContact O-CB 2.9Å; L671-R675 VanDerWaalsContact O-CG 3.24Å; L671-R675 WeakPolarHBondContact O-CG 3.46Å; L671-R675 PolarHBondContact O-N 3.49Å; F672-R675 PolarHBondContact O-N 2.77Å; H673-R675 VanDerWaalsContact C-N 3.34Å; H673-R675 PolarHBondContact O-N 3.44Å; R675-A677 VanDerWaalsContact C-N 3.33Å; R675-A678 PolarHBondContact O-N 2.98Å; R675-Q679 WeakPolarHBondContact O-CG 3.38Å; R675-Q679 PolarHBondContact O-N 3.05Å; R675-M689 HydrophobicContact CG-CE 3.63Å; R675-M689 HydrophobicContact CG-SD 4.08Å; R675-Y693 PolarHBondContact NE-OH 3.46Å; R675-Y693 PolarHBondContact NH2-OH 3.05Å
676	H	94.9	Very high	94.5	Very high	26 Å²	26	23.2 Å²	23.2	12%	0.12	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-39.4	177.6	-74.7	78.2	0	0	0	111.3	A591 F672 H673 A678 Q679 L680	A591-H676 HydrophobicContact CB-CB 4.48Å; F672-H676 AromaticContact CD2-CE1 3.59Å; F672-H676 AromaticContact CD2-ND1 3.94Å; F672-H676 AromaticContact CE1-CE1 3.9Å; F672-H676 AromaticContact CE1-ND1 3.85Å; F672-H676 AromaticContact CE2-CE1 3.15Å; F672-H676 WeakPolarHBondContact CE2-CE1 3.46Å; F672-H676 AromaticContact CE2-ND1 3.81Å; F672-H676 AromaticContact CE2-NE2 3.91Å; F672-H676 AromaticContact CZ-CE1 3.31Å; F672-H676 WeakPolarHBondContact CZ-CE1 3.18Å; F672-H676 AromaticContact CZ-ND1 3.75Å; F672-H676 AromaticContact CZ-NE2 3.79Å; F672-H676 PolarHBondContact O-N 3.37Å; F672-H676 VanDerWaalsContact O-N 3.15Å; F672-H676 PolarHBondContact O-ND1 3.39Å; H673-H676 PolarHBondContact O-N 2.78Å; H676-A678 VanDerWaalsContact C-N 3.34Å; H676-A678 PolarHBondContact O-N 3.42Å; H676-Q679 PolarHBondContact O-N 3.49Å; H676-L680 VanDerWaalsContact O-CB 3.3Å; H676-L680 WeakPolarHBondContact O-CB 3.4Å; H676-L680 VanDerWaalsContact O-CG 3.26Å; H676-L680 WeakPolarHBondContact O-CG 3.41Å; H676-L680 PolarHBondContact O-N 3.03Å
677	A	96.4	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-44.2	174.3	0	0	0	0	0	111.9	G607 H610 H611 H673 E674 R675 L680 G681 C682 A685	G607-A677 VanDerWaalsContact O-CB 3.24Å; G607-A677 WeakPolarHBondContact O-CB 3.31Å; H610-A677 HydrophobicContact CB-CB 3.84Å; H611-A677 HydrophobicContact CB-CB 3.92Å; H673-A677 WeakPolarHBondContact O-CB 3.38Å; H673-A677 PolarHBondContact O-N 2.76Å; E674-A677 PolarHBondContact O-N 3.49Å; R675-A677 VanDerWaalsContact C-N 3.33Å; A677-L680 PolarHBondContact O-N 3.45Å; A677-G681 PolarHBondContact O-N 3.17Å; A677-C682 HydrophobicContact CB-CB 4.16Å; A677-C682 WeakPolarHBondContact O-CB 3.36Å; A677-C682 PolarHBondContact O-N 2.51Å; A677-A685 HydrophobicContact CB-CB 3.43Å; A677-A685 VanDerWaalsContact CB-CB 3.43Å
678	A	95	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-42	176.9	0	0	0	0	0	112.6	E674 R675 H676 L680 G681 A685 M686 M689	E674-A678 WeakPolarHBondContact O-CB 3.36Å; E674-A678 PolarHBondContact O-N 2.97Å; R675-A678 PolarHBondContact O-N 2.98Å; H676-A678 VanDerWaalsContact C-N 3.34Å; H676-A678 PolarHBondContact O-N 3.42Å; A678-L680 VanDerWaalsContact C-N 3.29Å; A678-L680 PolarHBondContact O-N 2.86Å; A678-G681 PolarHBondContact O-N 2.73Å; A678-A685 HydrophobicContact CB-CB 4.16Å; A678-M686 HydrophobicContact CB-CG 3.95Å; A678-M686 WeakPolarHBondContact O-CG 3.48Å; A678-M689 HydrophobicContact CB-CB 4.31Å; A678-M689 HydrophobicContact CB-CG 3.77Å
679	Q	92.9	Very high	94.6	Very high	67 Å²	67	19 Å²	19	31%	0.313	9%	0.087	S	C	.	.	H	α-helix	trans	-60.8	-39.5	175.2	-74.8	170.3	-22	0	0	112.2	R675 H676 G681	R675-Q679 WeakPolarHBondContact O-CG 3.38Å; R675-Q679 PolarHBondContact O-N 3.05Å; H676-Q679 PolarHBondContact O-N 3.49Å; Q679-G681 PolarHBondContact O-N 3.17Å
680	L	93.3	Very high	94.5	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.1	176	-76.8	170.5	0	0	0	114	A591 N596 L597 S604 L606 H676 A677 A678	A591-L680 HydrophobicContact CB-CD1 3.76Å; A591-L680 HydrophobicContact CB-CD2 4.26Å; A591-L680 HydrophobicContact CB-CG 4.06Å; A591-L680 WeakPolarHBondContact O-CD2 3.5Å; N596-L680 HydrophobicContact CB-CD2 3.62Å; L597-L680 HydrophobicContact CD2-CD2 4.47Å; S604-L680 WeakPolarHBondContact CB-O 3.41Å; S604-L680 PolarHBondContact OG-O 3.07Å; S604-L680 VanDerWaalsContact OG-O 3.1Å; L606-L680 HydrophobicContact CB-CD1 4.12Å; L606-L680 HydrophobicContact CD2-CD1 3.99Å; L606-L680 HydrophobicContact CD2-CD2 4.26Å; L606-L680 HydrophobicContact CG-CD1 3.76Å; H676-L680 VanDerWaalsContact O-CB 3.3Å; H676-L680 WeakPolarHBondContact O-CB 3.4Å; H676-L680 VanDerWaalsContact O-CG 3.26Å; H676-L680 WeakPolarHBondContact O-CG 3.41Å; H676-L680 PolarHBondContact O-N 3.03Å; A677-L680 PolarHBondContact O-N 3.45Å; A678-L680 VanDerWaalsContact C-N 3.29Å; A678-L680 PolarHBondContact O-N 2.86Å
681	G	92.2	Very high	94.1	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	22.2	178.2	0	0	0	0	0	114.4	G602 A677 A678 Q679 L683	G602-G681 PolarHBondContact N-O 2.83Å; A677-G681 PolarHBondContact O-N 3.17Å; A678-G681 PolarHBondContact O-N 2.73Å; Q679-G681 PolarHBondContact O-N 3.17Å; G681-L683 PolarHBondContact O-N 3.4Å
682	C	94.2	Very high	93.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	9%	0.09	C	C	.	.			trans	-66.9	120.6	167.6	-163.6	0	0	0	0	109.1	A677 E684 A685 M686	A677-C682 HydrophobicContact CB-CB 4.16Å; A677-C682 WeakPolarHBondContact O-CB 3.36Å; A677-C682 PolarHBondContact O-N 2.51Å; C682-E684 PolarHBondContact SG-OE2 3.42Å; C682-E684 VanDerWaalsContact SG-OE2 3.34Å; C682-A685 HydrophobicContact CB-CB 3.98Å; C682-A685 PolarHBondContact O-N 3.03Å; C682-M686 WeakPolarHBondContact O-CG 3.39Å; C682-M686 PolarHBondContact O-N 2.96Å
683	L	93	Very high	93.6	Very high	36 Å²	36	18.7 Å²	18.7	19%	0.188	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-45.9	-172.5	179.8	59.3	0	0	0	111.3	I601 G681 A685 M686 I687 A723 D728	I601-L683 HydrophobicContact CG2-CD1 4.2Å; G681-L683 PolarHBondContact O-N 3.4Å; L683-A685 VanDerWaalsContact C-N 3.34Å; L683-A685 PolarHBondContact O-N 2.82Å; L683-M686 HydrophobicContact CD1-CE 4.37Å; L683-M686 PolarHBondContact O-N 3.04Å; L683-I687 HydrophobicContact CD1-CD1 4.32Å; L683-I687 HydrophobicContact CD1-CG1 4.49Å; L683-I687 HydrophobicContact CG-CD1 4.07Å; L683-I687 WeakPolarHBondContact O-CG1 3.31Å; L683-I687 PolarHBondContact O-N 3.29Å; L683-A723 HydrophobicContact CD1-CB 4.12Å; L683-D728 HydrophobicContact CD1-CB 4.42Å
684	E	93.2	Very high	93	Very high	87 Å²	87	18.8 Å²	18.8	41%	0.407	9%	0.085	S	C	.	.	H	α-helix	trans	-57.2	-47.1	178.2	-58.6	93.6	147.1	0	0	111.2	C682 M686 I687 V688	C682-E684 PolarHBondContact SG-OE2 3.42Å; C682-E684 VanDerWaalsContact SG-OE2 3.34Å; E684-M686 PolarHBondContact O-N 3.06Å; E684-I687 WeakPolarHBondContact O-CB 3.45Å; E684-I687 PolarHBondContact O-N 3.32Å; E684-V688 WeakPolarHBondContact O-CG2 3.28Å; E684-V688 PolarHBondContact O-N 3.28Å
685	A	95.5	Very high	92.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-36.6	178.7	0	0	0	0	0	112.9	H611 E674 A677 A678 C682 L683 I687 V688 M689	H611-A685 HydrophobicContact CB-CB 4.5Å; E674-A685 HydrophobicContact CG-CB 4.41Å; E674-A685 VanDerWaalsContact OE1-CA 3.27Å; E674-A685 WeakPolarHBondContact OE1-CA 3.43Å; A677-A685 HydrophobicContact CB-CB 3.43Å; A677-A685 VanDerWaalsContact CB-CB 3.43Å; A678-A685 HydrophobicContact CB-CB 4.16Å; C682-A685 HydrophobicContact CB-CB 3.98Å; C682-A685 PolarHBondContact O-N 3.03Å; L683-A685 VanDerWaalsContact C-N 3.34Å; L683-A685 PolarHBondContact O-N 2.82Å; A685-I687 VanDerWaalsContact C-N 3.33Å; A685-I687 PolarHBondContact O-N 3.11Å; A685-V688 PolarHBondContact O-N 3.19Å; A685-M689 WeakPolarHBondContact O-CB 3.27Å; A685-M689 VanDerWaalsContact O-CG 3.25Å; A685-M689 WeakPolarHBondContact O-CG 3.38Å; A685-M689 PolarHBondContact O-N 2.67Å
686	M	94.1	Very high	91.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-40.3	173.1	-72.9	-173	-69.6	0	0	111.8	I601 A678 C682 L683 E684 M689 A690 R722 A723	I601-M686 HydrophobicContact CB-CE 4.32Å; I601-M686 HydrophobicContact CG1-CE 4.24Å; I601-M686 HydrophobicContact CG2-CE 3.4Å; I601-M686 VanDerWaalsContact CG2-CE 3.4Å; A678-M686 HydrophobicContact CB-CG 3.95Å; A678-M686 WeakPolarHBondContact O-CG 3.48Å; C682-M686 WeakPolarHBondContact O-CG 3.39Å; C682-M686 PolarHBondContact O-N 2.96Å; L683-M686 HydrophobicContact CD1-CE 4.37Å; L683-M686 PolarHBondContact O-N 3.04Å; E684-M686 PolarHBondContact O-N 3.06Å; M686-M689 PolarHBondContact O-N 3.28Å; M686-A690 VanDerWaalsContact O-CB 3.24Å; M686-A690 WeakPolarHBondContact O-CB 3.08Å; M686-A690 PolarHBondContact O-N 2.64Å; M686-R722 HydrophobicContact SD-CB 3.7Å; M686-A723 HydrophobicContact CB-CB 4.26Å
687	I	92.6	Very high	90.8	Very high	32 Å²	32	20.1 Å²	20.1	16%	0.164	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-48.2	175.9	-64.1	163.5	0	0	0	110.4	L683 E684 A685 M689 A690 H691 A723 D728	L683-I687 HydrophobicContact CD1-CD1 4.32Å; L683-I687 HydrophobicContact CD1-CG1 4.49Å; L683-I687 HydrophobicContact CG-CD1 4.07Å; L683-I687 WeakPolarHBondContact O-CG1 3.31Å; L683-I687 PolarHBondContact O-N 3.29Å; E684-I687 WeakPolarHBondContact O-CB 3.45Å; E684-I687 PolarHBondContact O-N 3.32Å; A685-I687 VanDerWaalsContact C-N 3.33Å; A685-I687 PolarHBondContact O-N 3.11Å; I687-M689 PolarHBondContact O-N 3.38Å; I687-A690 PolarHBondContact O-N 2.8Å; I687-H691 WeakPolarHBondContact O-CB 2.98Å; I687-H691 PolarHBondContact O-CD2 2.95Å; I687-H691 PolarHBondContact O-N 3.36Å; I687-A723 HydrophobicContact CG1-CB 3.94Å; I687-D728 HydrophobicContact CD1-CB 3.97Å; I687-D728 HydrophobicContact CG1-CB 4.42Å
688	V	93.9	Very high	90.2	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-48.1	177.4	170.4	0	0	0	0	110.8	E674 E684 A685 H691 Y692 T698 L700 L701	E674-V688 HydrophobicContact CG-CB 4.4Å; E674-V688 HydrophobicContact CG-CG1 3.91Å; E674-V688 VanDerWaalsContact OE1-CB 3.24Å; E674-V688 WeakPolarHBondContact OE1-CB 3.29Å; E674-V688 WeakPolarHBondContact OE1-CG1 3.4Å; E674-V688 WeakPolarHBondContact OE1-CG2 3.44Å; E684-V688 WeakPolarHBondContact O-CG2 3.28Å; E684-V688 PolarHBondContact O-N 3.28Å; A685-V688 PolarHBondContact O-N 3.19Å; V688-H691 PolarHBondContact O-N 3.1Å; V688-Y692 VanDerWaalsContact O-CB 3.26Å; V688-Y692 WeakPolarHBondContact O-CB 3.47Å; V688-Y692 PolarHBondContact O-N 3.28Å; V688-T698 WeakPolarHBondContact O-CG2 3.31Å; V688-L700 HydrophobicContact CG1-CB 4.04Å; V688-L700 HydrophobicContact CG1-CD2 4.3Å; V688-L700 HydrophobicContact CG2-CB 4.22Å; V688-L701 HydrophobicContact CG1-CD1 3.94Å
689	M	94.2	Very high	89.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-41.3	179.7	-69	-51.6	-53.3	0	0	112.2	E674 R675 A678 A685 M686 I687 H691 Y692 Y693	E674-M689 HydrophobicContact CB-SD 4.07Å; E674-M689 HydrophobicContact CG-CG 4.13Å; E674-M689 HydrophobicContact CG-SD 3.72Å; R675-M689 HydrophobicContact CG-CE 3.63Å; R675-M689 HydrophobicContact CG-SD 4.08Å; A678-M689 HydrophobicContact CB-CB 4.31Å; A678-M689 HydrophobicContact CB-CG 3.77Å; A685-M689 WeakPolarHBondContact O-CB 3.27Å; A685-M689 VanDerWaalsContact O-CG 3.25Å; A685-M689 WeakPolarHBondContact O-CG 3.38Å; A685-M689 PolarHBondContact O-N 2.67Å; M686-M689 PolarHBondContact O-N 3.28Å; I687-M689 PolarHBondContact O-N 3.38Å; M689-H691 VanDerWaalsContact C-N 3.35Å; M689-H691 PolarHBondContact O-N 3.48Å; M689-Y692 HydrophobicContact CE-CD1 4.05Å; M689-Y692 PolarHBondContact O-N 3.22Å; M689-Y693 HydrophobicContact CE-CD2 3.91Å; M689-Y693 HydrophobicContact CE-CE2 3.21Å; M689-Y693 WeakPolarHBondContact O-CD2 3.38Å; M689-Y693 PolarHBondContact O-N 3.22Å
690	A	90.9	Very high	89.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-50	174.5	0	0	0	0	0	110.7	M686 I687 L694 H719 L720	M686-A690 VanDerWaalsContact O-CB 3.24Å; M686-A690 WeakPolarHBondContact O-CB 3.08Å; M686-A690 PolarHBondContact O-N 2.64Å; I687-A690 PolarHBondContact O-N 2.8Å; A690-L694 VanDerWaalsContact O-CB 3.26Å; A690-L694 WeakPolarHBondContact O-CB 3.49Å; A690-L694 WeakPolarHBondContact O-CD1 3.41Å; A690-L694 WeakPolarHBondContact O-CG 3.4Å; A690-L694 PolarHBondContact O-N 2.95Å; A690-H719 HydrophobicContact CB-CB 3.84Å; A690-L720 HydrophobicContact CB-CB 4.05Å; A690-L720 HydrophobicContact CB-CD1 4.25Å
691	H	89.1	Confident	89.1	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-41.5	179.8	-78	-158.3	0	0	0	112.5	I687 V688 M689 L694 G695 L696 P697 T698 R730	I687-H691 WeakPolarHBondContact O-CB 2.98Å; I687-H691 PolarHBondContact O-CD2 2.95Å; I687-H691 PolarHBondContact O-N 3.36Å; V688-H691 PolarHBondContact O-N 3.1Å; M689-H691 VanDerWaalsContact C-N 3.35Å; M689-H691 PolarHBondContact O-N 3.48Å; H691-L694 CarbonylContact O-C 3.55Å; H691-L694 PolarHBondContact O-N 3.32Å; H691-G695 PolarHBondContact O-N 3.07Å; H691-L696 HydrophobicContact CB-CB 3.8Å; H691-L696 PolarHBondContact O-N 3.17Å; H691-P697 PolarHBondContact ND1-O 2.89Å; H691-T698 HydrophobicContact CB-CG2 3.41Å; H691-T698 VanDerWaalsContact CB-CG2 3.41Å; H691-R730 PolarHBondContact CE1-NE 2.97Å; H691-R730 VanDerWaalsContact CE1-NE 3.3Å; H691-R730 PolarHBondContact CE1-NH2 3.3Å; H691-R730 VanDerWaalsContact CE1-NH2 3.27Å
692	Y	91.3	Very high	88.7	Confident	16 Å²	16	29.7 Å²	29.7	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-52.1	177.5	173.1	-100.9	0	0	0	111.5	L671 V688 M689 L694 G695 L701 C704 I706 P708	L671-Y692 HydrophobicContact CD2-CD1 4.47Å; L671-Y692 HydrophobicContact CD2-CE1 3.95Å; L671-Y692 HydrophobicContact CD2-CE2 4.18Å; V688-Y692 VanDerWaalsContact O-CB 3.26Å; V688-Y692 WeakPolarHBondContact O-CB 3.47Å; V688-Y692 PolarHBondContact O-N 3.28Å; M689-Y692 HydrophobicContact CE-CD1 4.05Å; M689-Y692 PolarHBondContact O-N 3.22Å; Y692-L694 VanDerWaalsContact C-N 3.31Å; Y692-L694 PolarHBondContact O-N 3.44Å; Y692-G695 PolarHBondContact O-N 3.06Å; Y692-L701 HydrophobicContact CD2-CB 4.15Å; Y692-L701 HydrophobicContact CD2-CD1 4Å; Y692-L701 HydrophobicContact CG-CD1 4.17Å; Y692-C704 HydrophobicContact CE2-CB 4.47Å; Y692-I706 WeakPolarHBondContact CE2-O 3.25Å; Y692-I706 PolarHBondContact OH-O 3.21Å; Y692-P708 HydrophobicContact CE1-CB 4.01Å; Y692-P708 HydrophobicContact CE1-CG 4.35Å
693	Y	89.3	Confident	88.2	Confident	21 Å²	21	35.2 Å²	35.2	8%	0.082	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-28.8	178.4	-76.2	-64.9	0	0	0	113.3	R675 M689 G695 P708 D712 I715 G716	R675-Y693 PolarHBondContact NE-OH 3.46Å; R675-Y693 PolarHBondContact NH2-OH 3.05Å; M689-Y693 HydrophobicContact CE-CD2 3.91Å; M689-Y693 HydrophobicContact CE-CE2 3.21Å; M689-Y693 WeakPolarHBondContact O-CD2 3.38Å; M689-Y693 PolarHBondContact O-N 3.22Å; Y693-G695 VanDerWaalsContact C-N 3.34Å; Y693-P708 HydrophobicContact CD1-CB 3.59Å; Y693-P708 HydrophobicContact CE1-CB 4.04Å; Y693-D712 HydrophobicContact CD1-CB 3.63Å; Y693-D712 HydrophobicContact CE1-CB 3.62Å; Y693-I715 HydrophobicContact CD2-CB 4.35Å; Y693-I715 HydrophobicContact CD2-CG2 3.97Å; Y693-I715 HydrophobicContact CE2-CB 4.3Å; Y693-I715 HydrophobicContact CE2-CG2 3.6Å; Y693-G716 VanDerWaalsContact CB-CA 3.46Å
694	L	84.3	Confident	88	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6	178	-63.7	173.6	0	0	0	113.8	A690 H691 Y692 L696 I713 I717 L720 L764 A766	A690-L694 VanDerWaalsContact O-CB 3.26Å; A690-L694 WeakPolarHBondContact O-CB 3.49Å; A690-L694 WeakPolarHBondContact O-CD1 3.41Å; A690-L694 WeakPolarHBondContact O-CG 3.4Å; A690-L694 PolarHBondContact O-N 2.95Å; H691-L694 CarbonylContact O-C 3.55Å; H691-L694 PolarHBondContact O-N 3.32Å; Y692-L694 VanDerWaalsContact C-N 3.31Å; Y692-L694 PolarHBondContact O-N 3.44Å; L694-L696 HydrophobicContact CB-CD1 4Å; L694-L696 HydrophobicContact CB-CG 3.93Å; L694-L696 HydrophobicContact CD1-CD1 4.25Å; L694-L696 PolarHBondContact O-N 3.34Å; L694-I713 HydrophobicContact CD2-CG1 3.98Å; L694-I717 HydrophobicContact CD2-CG1 4.21Å; L694-L720 HydrophobicContact CD1-CB 4.44Å; L694-L720 HydrophobicContact CD1-CD1 4.49Å; L694-L720 HydrophobicContact CD1-CD2 4.01Å; L694-L764 HydrophobicContact CB-CD2 4.49Å; L694-L764 HydrophobicContact CD1-CD2 4.18Å; L694-A766 VanDerWaalsContact C-CB 3.44Å; L694-A766 WeakPolarHBondContact O-CB 3.46Å
695	G	80.6	Confident	87.7	Confident	49 Å²	49	33.6 Å²	33.6	51%	0.505	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	27.8	-179	0	0	0	0	0	113.6	H691 Y692 Y693	H691-G695 PolarHBondContact O-N 3.07Å; Y692-G695 PolarHBondContact O-N 3.06Å; Y693-G695 VanDerWaalsContact C-N 3.34Å
696	L	81	Confident	87.4	Confident	12 Å²	12	37 Å²	37	6%	0.063	21%	0.207	C	C	.	.			trans	-88.5	155.3	175.7	-60.3	174.6	0	0	0	110.2	H691 L694 T698 L734 M763 L764	H691-L696 HydrophobicContact CB-CB 3.8Å; H691-L696 PolarHBondContact O-N 3.17Å; L694-L696 HydrophobicContact CB-CD1 4Å; L694-L696 HydrophobicContact CB-CG 3.93Å; L694-L696 HydrophobicContact CD1-CD1 4.25Å; L694-L696 PolarHBondContact O-N 3.34Å; L696-T698 PolarHBondContact O-N 3.05Å; L696-L734 HydrophobicContact CD1-CD1 3.88Å; L696-L734 HydrophobicContact CD1-CD2 4.49Å; L696-M763 WeakPolarHBondContact CD2-O 3.25Å; L696-L764 HydrophobicContact CD1-CD2 4.35Å
697	P	80.5	Confident	87.1	Confident	84 Å²	84	43.9 Å²	43.9	55%	0.545	24%	0.237	S	C	.	.			trans	-58.1	128.5	170.7	-22.6	33.4	0	0	0	111.2	H691	H691-P697 PolarHBondContact ND1-O 2.89Å
698	T	83.8	Confident	86.8	Confident	15 Å²	15	44 Å²	44	9%	0.092	24%	0.24	C	C	.	.			trans	-112.2	153.4	177.9	55.1	0	0	0	0	110.4	V688 H691 L696 L700 L702	V688-T698 WeakPolarHBondContact O-CG2 3.31Å; H691-T698 HydrophobicContact CB-CG2 3.41Å; H691-T698 VanDerWaalsContact CB-CG2 3.41Å; L696-T698 PolarHBondContact O-N 3.05Å; T698-L700 WeakPolarHBondContact CB-O 3.31Å; T698-L700 PolarHBondContact OG1-O 3.35Å; T698-L702 PolarHBondContact OG1-N 3.46Å
699	Q	80.9	Confident	86.3	Confident	137 Å²	137	48 Å²	48	64%	0.64	26%	0.261	S	S	*	.	S	Bend	trans	-73.9	-41.8	171.6	-72.4	174.3	-18.2	0	0	111.3	D817	Q699-D817 PolarHBondContact NE2-OD2 2.87Å; Q699-D817 VanDerWaalsContact NE2-OD2 3.09Å
700	L	86.6	Confident	85.4	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-105.5	149	172.3	-170.3	97.8	0	0	0	109.3	A614 R615 E618 V670 E674 V688 T698 L702	A614-L700 HydrophobicContact CB-CD2 3.85Å; R615-L700 HydrophobicContact CB-CD1 4.29Å; R615-L700 HydrophobicContact CG-CD1 3.73Å; E618-L700 HydrophobicContact CB-CD1 4.01Å; E618-L700 WeakPolarHBondContact OE2-CA 3.48Å; E618-L700 WeakPolarHBondContact OE2-CD1 3.33Å; E618-L700 VanDerWaalsContact OE2-CG 3.29Å; E618-L700 WeakPolarHBondContact OE2-CG 3.46Å; V670-L700 HydrophobicContact CG1-CD2 3.91Å; V670-L700 HydrophobicContact CG1-CG 4.27Å; E674-L700 HydrophobicContact CB-CD2 4.27Å; E674-L700 VanDerWaalsContact CD-CD2 3.43Å; E674-L700 HydrophobicContact CG-CD2 3.88Å; V688-L700 HydrophobicContact CG1-CB 4.04Å; V688-L700 HydrophobicContact CG1-CD2 4.3Å; V688-L700 HydrophobicContact CG2-CB 4.22Å; T698-L700 WeakPolarHBondContact CB-O 3.31Å; T698-L700 PolarHBondContact OG1-O 3.35Å; L700-L702 VanDerWaalsContact C-N 3.34Å; L700-L702 PolarHBondContact O-N 3.05Å
701	L	89.3	Confident	84.8	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	74.2	12.5	-179.2	-53.7	164.5	0	0	0	115.5	E618 W667 V670 L671 V688 Y692 E703 C704	E618-L701 PolarHBondContact OE1-N 3.03Å; W667-L701 HydrophobicContact CE3-CD2 3.99Å; W667-L701 HydrophobicContact CZ3-CD2 4.07Å; V670-L701 HydrophobicContact CB-CD2 4.12Å; V670-L701 HydrophobicContact CG1-CD2 3.46Å; V670-L701 VanDerWaalsContact CG1-CD2 3.46Å; V670-L701 HydrophobicContact CG1-CG 4.25Å; L671-L701 HydrophobicContact CD2-CD1 3.65Å; L671-L701 HydrophobicContact CD2-CD2 3.79Å; L671-L701 HydrophobicContact CD2-CG 4.38Å; L671-L701 HydrophobicContact CG-CD2 4.03Å; V688-L701 HydrophobicContact CG1-CD1 3.94Å; Y692-L701 HydrophobicContact CD2-CB 4.15Å; Y692-L701 HydrophobicContact CD2-CD1 4Å; Y692-L701 HydrophobicContact CG-CD1 4.17Å; L701-E703 VanDerWaalsContact C-N 3.28Å; L701-E703 PolarHBondContact O-N 2.89Å; L701-C704 HydrophobicContact CB-CB 3.9Å; L701-C704 HydrophobicContact CD2-CB 4.03Å; L701-C704 WeakPolarHBondContact O-CB 3.19Å; L701-C704 PolarHBondContact O-N 3.29Å
702	L	83.9	Confident	84.6	Confident	111 Å²	111	56.7 Å²	56.7	58%	0.581	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.7	-177.5	-176.3	65.6	0	0	0	112.2	T698 L700	T698-L702 PolarHBondContact OG1-N 3.46Å; L700-L702 VanDerWaalsContact C-N 3.34Å; L700-L702 PolarHBondContact O-N 3.05Å
703	E	84.5	Confident	84.2	Confident	117 Å²	117	56.1 Å²	56.1	55%	0.547	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.6	179.3	-61.3	-173.7	166.8	0	0	112.8	V662 W667 L701 P705	V662-E703 HydrophobicContact CG1-CB 4.22Å; V662-E703 WeakPolarHBondContact CG2-OE2 3.49Å; W667-E703 HydrophobicContact CH2-CB 4.29Å; W667-E703 HydrophobicContact CZ2-CB 4.27Å; L701-E703 VanDerWaalsContact C-N 3.28Å; L701-E703 PolarHBondContact O-N 2.89Å; E703-P705 WeakPolarHBondContact O-CD 3.38Å
704	C	87.9	Confident	83.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	33%	0.33	C	S	.	.			trans	-61.7	122.3	-175.4	-173	0	0	0	0	111	W667 Y692 L701 I706 K707	W667-C704 HydrophobicContact CD2-CB 4.27Å; W667-C704 HydrophobicContact CE3-CB 3.71Å; W667-C704 HydrophobicContact CH2-CB 4.49Å; W667-C704 HydrophobicContact CZ3-CB 3.85Å; Y692-C704 HydrophobicContact CE2-CB 4.47Å; L701-C704 HydrophobicContact CB-CB 3.9Å; L701-C704 HydrophobicContact CD2-CB 4.03Å; L701-C704 WeakPolarHBondContact O-CB 3.19Å; L701-C704 PolarHBondContact O-N 3.29Å; C704-I706 VanDerWaalsContact C-N 3.31Å; C704-K707 PolarHBondContact O-NZ 3.05Å
705	P	88.6	Confident	84.1	Confident	88 Å²	88	63.4 Å²	63.4	57%	0.571	35%	0.346	S	S	*	.	S	Bend	trans	-74.4	-23.6	179.8	29.3	-33.6	0	0	0	112.2	W667 E703 K707	W667-P705 VanDerWaalsContact CD1-CD 3.42Å; W667-P705 VanDerWaalsContact CG-CD 3.48Å; W667-P705 HydrophobicContact CG-CG 4Å; E703-P705 WeakPolarHBondContact O-CD 3.38Å; P705-K707 PolarHBondContact O-N 3.35Å
706	I	89	Confident	84.5	Confident	70 Å²	70	61 Å²	61	36%	0.359	32%	0.322	S	S	.	.			trans	-77.3	114.5	176.7	-56.5	167.1	0	0	0	107.3	W667 L671 Y692 C704	W667-I706 HydrophobicContact CB-CD1 3.98Å; L671-I706 HydrophobicContact CD1-CB 3.86Å; L671-I706 HydrophobicContact CD1-CD1 3.74Å; L671-I706 HydrophobicContact CD1-CG1 4.4Å; L671-I706 HydrophobicContact CD1-CG2 3.79Å; Y692-I706 WeakPolarHBondContact CE2-O 3.25Å; Y692-I706 PolarHBondContact OH-O 3.21Å; C704-I706 VanDerWaalsContact C-N 3.31Å
707	K	87.3	Confident	84.9	Confident	145 Å²	145	61.7 Å²	61.7	63%	0.63	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-96.2	143.9	176.6	-60.8	-52.2	-176.6	-161.1	0	110.6	C704 P705	C704-K707 PolarHBondContact O-NZ 3.05Å; P705-K707 PolarHBondContact O-N 3.35Å
708	P	85.4	Confident	85.4	Confident	35 Å²	35	61.6 Å²	61.6	23%	0.227	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.8	149.6	176.8	28.4	-35.8	0	0	0	111.1	Y692 Y693	Y692-P708 HydrophobicContact CE1-CB 4.01Å; Y692-P708 HydrophobicContact CE1-CG 4.35Å; Y693-P708 HydrophobicContact CD1-CB 3.59Å; Y693-P708 HydrophobicContact CE1-CB 4.04Å
709	D	84.1	Confident	85.8	Confident	90 Å²	90	61.9 Å²	61.9	48%	0.481	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-67.7	133.4	169.3	-171.7	-47.4	0	0	0	108.1	S711 D712	D709-S711 PolarHBondContact O-N 3.01Å; D709-S711 VanDerWaalsContact O-N 3.08Å; D709-S711 WeakPolarHBondContact OD1-CB 3.49Å; D709-S711 PolarHBondContact OD1-N 3.23Å; D709-S711 PolarHBondContact OD1-OG 2.93Å; D709-D712 WeakPolarHBondContact O-CB 3.42Å; D709-D712 PolarHBondContact O-N 2.95Å
710	P	76.3	Confident	86.3	Confident	86 Å²	86	55.4 Å²	55.4	56%	0.558	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-48.9	-36.4	174.5	-28.3	35	0	0	0	113.2	D712 I713 F770	P710-D712 PolarHBondContact O-N 3.37Å; P710-D712 VanDerWaalsContact O-N 3.12Å; P710-I713 PolarHBondContact O-N 3.3Å; P710-F770 HydrophobicContact CB-CE2 4.19Å; P710-F770 HydrophobicContact CB-CZ 3.69Å; P710-F770 WeakPolarHBondContact O-CZ 3.34Å
711	S	77.9	Confident	86.6	Confident	56 Å²	56	58.8 Å²	58.8	39%	0.392	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61.3	-19.9	178.7	60.9	0	0	0	0	114.4	D709 I713	D709-S711 PolarHBondContact O-N 3.01Å; D709-S711 VanDerWaalsContact O-N 3.08Å; D709-S711 WeakPolarHBondContact OD1-CB 3.49Å; D709-S711 PolarHBondContact OD1-N 3.23Å; D709-S711 PolarHBondContact OD1-OG 2.93Å; S711-I713 VanDerWaalsContact C-N 3.25Å; S711-I713 PolarHBondContact O-N 3.28Å
712	D	84	Confident	86.7	Confident	45 Å²	45	62 Å²	62	24%	0.241	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-79.8	3.5	179.1	-66.6	-26	0	0	0	113.9	Y693 D709 P710 R714 I715 G716	Y693-D712 HydrophobicContact CD1-CB 3.63Å; Y693-D712 HydrophobicContact CE1-CB 3.62Å; D709-D712 WeakPolarHBondContact O-CB 3.42Å; D709-D712 PolarHBondContact O-N 2.95Å; P710-D712 PolarHBondContact O-N 3.37Å; P710-D712 VanDerWaalsContact O-N 3.12Å; D712-R714 PolarHBondContact O-N 3.19Å; D712-I715 HydrophobicContact CB-CD1 4.02Å; D712-I715 HydrophobicContact CB-CG1 4.46Å; D712-I715 WeakPolarHBondContact O-CA 3.45Å; D712-I715 VanDerWaalsContact O-CB 3.29Å; D712-I715 WeakPolarHBondContact O-CB 3.43Å; D712-I715 PolarHBondContact O-N 2.67Å; D712-G716 PolarHBondContact O-N 3.06Å
713	I	82.4	Confident	87.1	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-53.3	-32.6	-179.5	-169.6	164.7	0	0	0	113.3	L694 P710 S711 I715 G716 I717 L767 F770	L694-I713 HydrophobicContact CD2-CG1 3.98Å; P710-I713 PolarHBondContact O-N 3.3Å; S711-I713 VanDerWaalsContact C-N 3.25Å; S711-I713 PolarHBondContact O-N 3.28Å; I713-I715 VanDerWaalsContact C-N 3.31Å; I713-I715 PolarHBondContact O-N 3.02Å; I713-G716 PolarHBondContact O-N 3.23Å; I713-I717 HydrophobicContact CG1-CD1 4.19Å; I713-I717 WeakPolarHBondContact O-CG1 3.3Å; I713-I717 PolarHBondContact O-N 2.96Å; I713-L767 HydrophobicContact CD1-CD2 4.23Å; I713-F770 HydrophobicContact CB-CE2 4.06Å; I713-F770 HydrophobicContact CB-CZ 4.31Å; I713-F770 HydrophobicContact CD1-CD2 3.44Å; I713-F770 VanDerWaalsContact CD1-CD2 3.44Å; I713-F770 HydrophobicContact CD1-CE2 3.62Å; I713-F770 HydrophobicContact CD1-CG 4.11Å; I713-F770 HydrophobicContact CD1-CZ 4.4Å; I713-F770 HydrophobicContact CG1-CE2 4.38Å; I713-F770 HydrophobicContact CG2-CE2 4.32Å; I713-F770 HydrophobicContact CG2-CZ 4.14Å
714	R	83.7	Confident	87.5	Confident	110 Å²	110	51.2 Å²	51.2	42%	0.415	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-34.7	176.8	-64.2	-174.8	-137.8	-105.7	2.5	112.5	D712 G716 I717 D718 L778	D712-R714 PolarHBondContact O-N 3.19Å; R714-G716 VanDerWaalsContact C-N 3.31Å; R714-I717 PolarHBondContact O-N 3.04Å; R714-D718 PolarHBondContact O-N 2.72Å; R714-L778 PolarHBondContact NH1-O 3.29Å; R714-L778 PolarHBondContact NH2-O 2.86Å
715	I	89.1	Confident	87.7	Confident	67 Å²	67	55.8 Å²	55.8	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-42.4	175.7	-54.8	178.2	0	0	0	109	Y693 D712 I713 I717 D718 H719	Y693-I715 HydrophobicContact CD2-CB 4.35Å; Y693-I715 HydrophobicContact CD2-CG2 3.97Å; Y693-I715 HydrophobicContact CE2-CB 4.3Å; Y693-I715 HydrophobicContact CE2-CG2 3.6Å; D712-I715 HydrophobicContact CB-CD1 4.02Å; D712-I715 HydrophobicContact CB-CG1 4.46Å; D712-I715 WeakPolarHBondContact O-CA 3.45Å; D712-I715 VanDerWaalsContact O-CB 3.29Å; D712-I715 WeakPolarHBondContact O-CB 3.43Å; D712-I715 PolarHBondContact O-N 2.67Å; I713-I715 VanDerWaalsContact C-N 3.31Å; I713-I715 PolarHBondContact O-N 3.02Å; I715-I717 PolarHBondContact O-N 3.19Å; I715-D718 PolarHBondContact O-N 2.87Å; I715-H719 PolarHBondContact O-CD2 2.82Å; I715-H719 VanDerWaalsContact O-CD2 3.25Å; I715-H719 PolarHBondContact O-N 3.48Å
716	G	88.9	Confident	87.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-42.3	173.5	0	0	0	0	0	113.4	Y693 D712 I713 R714 L720	Y693-G716 VanDerWaalsContact CB-CA 3.46Å; D712-G716 PolarHBondContact O-N 3.06Å; I713-G716 PolarHBondContact O-N 3.23Å; R714-G716 VanDerWaalsContact C-N 3.31Å; G716-L720 WeakPolarHBondContact O-CB 3.33Å; G716-L720 PolarHBondContact O-N 3.28Å
717	I	89	Confident	87.6	Confident	25 Å²	25	51.4 Å²	51.4	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-68.8	-38.8	177.3	-64.4	160.2	0	0	0	111.6	L694 I713 R714 I715 L720 W721 Y738	L694-I717 HydrophobicContact CD2-CG1 4.21Å; I713-I717 HydrophobicContact CG1-CD1 4.19Å; I713-I717 WeakPolarHBondContact O-CG1 3.3Å; I713-I717 PolarHBondContact O-N 2.96Å; R714-I717 PolarHBondContact O-N 3.04Å; I715-I717 PolarHBondContact O-N 3.19Å; I717-L720 WeakPolarHBondContact O-CB 3.25Å; I717-L720 PolarHBondContact O-N 3.5Å; I717-W721 WeakPolarHBondContact O-CB 3.28Å; I717-W721 PolarHBondContact O-N 3.41Å; I717-Y738 HydrophobicContact CD1-CD2 4.37Å; I717-Y738 HydrophobicContact CD1-CE1 4.16Å; I717-Y738 HydrophobicContact CD1-CE2 3.62Å; I717-Y738 VanDerWaalsContact CD1-CZ 3.5Å; I717-Y738 WeakPolarHBondContact CD1-OH 3.47Å; I717-Y738 HydrophobicContact CG1-CE2 4.33Å; I717-Y738 HydrophobicContact CG2-CD1 4.36Å; I717-Y738 HydrophobicContact CG2-CE1 4Å
718	D	91.3	Very high	87.7	Confident	83 Å²	83	46.4 Å²	46.4	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-47.8	176.1	-177.3	73.8	0	0	0	111.5	R714 I715 L720 W721 R722	R714-D718 PolarHBondContact O-N 2.72Å; I715-D718 PolarHBondContact O-N 2.87Å; D718-L720 VanDerWaalsContact C-N 3.29Å; D718-L720 PolarHBondContact O-N 3.23Å; D718-W721 PolarHBondContact O-N 2.83Å; D718-R722 WeakPolarHBondContact O-CG 3.31Å; D718-R722 PolarHBondContact O-N 3.36Å; D718-R722 WeakPolarHBondContact OD2-CD 3.33Å
719	H	92.5	Very high	87.8	Confident	20 Å²	20	47.3 Å²	47.3	9%	0.093	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-39.6	173.6	-73.8	-51.6	0	0	0	112.2	A690 I715 W721 R722 A723	A690-H719 HydrophobicContact CB-CB 3.84Å; I715-H719 PolarHBondContact O-CD2 2.82Å; I715-H719 VanDerWaalsContact O-CD2 3.25Å; I715-H719 PolarHBondContact O-N 3.48Å; H719-W721 VanDerWaalsContact C-N 3.34Å; H719-W721 PolarHBondContact O-N 3.34Å; H719-R722 PolarHBondContact O-N 3.09Å; H719-A723 VanDerWaalsContact O-CB 3.25Å; H719-A723 WeakPolarHBondContact O-CB 3.49Å; H719-A723 PolarHBondContact O-N 2.99Å
720	L	90.8	Very high	87.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-42.7	176.1	-171.4	71.6	0	0	0	111.7	A690 L694 G716 I717 D718 A723 A724 C731 L734 L735	A690-L720 HydrophobicContact CB-CB 4.05Å; A690-L720 HydrophobicContact CB-CD1 4.25Å; L694-L720 HydrophobicContact CD1-CB 4.44Å; L694-L720 HydrophobicContact CD1-CD1 4.49Å; L694-L720 HydrophobicContact CD1-CD2 4.01Å; G716-L720 WeakPolarHBondContact O-CB 3.33Å; G716-L720 PolarHBondContact O-N 3.28Å; I717-L720 WeakPolarHBondContact O-CB 3.25Å; I717-L720 PolarHBondContact O-N 3.5Å; D718-L720 VanDerWaalsContact C-N 3.29Å; D718-L720 PolarHBondContact O-N 3.23Å; L720-A723 PolarHBondContact O-N 3.15Å; L720-A724 WeakPolarHBondContact O-CB 3.16Å; L720-A724 PolarHBondContact O-N 2.91Å; L720-C731 HydrophobicContact CD1-CB 3.84Å; L720-L734 HydrophobicContact CD1-CB 3.96Å; L720-L734 HydrophobicContact CD1-CD1 4.19Å; L720-L734 HydrophobicContact CD2-CB 4.09Å; L720-L735 HydrophobicContact CD2-CB 4.07Å; L720-L735 HydrophobicContact CD2-CD1 4.39Å; L720-L735 HydrophobicContact CG-CB 4.25Å
721	W	92.8	Very high	88.5	Confident	78 Å²	78	42.2 Å²	42.2	30%	0.295	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-47.4	177.5	-176.5	92.9	0	0	0	111.7	L413 I717 D718 H719 A723 A724 E725 L735 W793	L413-W721 HydrophobicContact CD2-CH2 4.22Å; I717-W721 WeakPolarHBondContact O-CB 3.28Å; I717-W721 PolarHBondContact O-N 3.41Å; D718-W721 PolarHBondContact O-N 2.83Å; H719-W721 VanDerWaalsContact C-N 3.34Å; H719-W721 PolarHBondContact O-N 3.34Å; W721-A723 PolarHBondContact O-N 3.34Å; W721-A724 WeakPolarHBondContact O-CB 3.45Å; W721-A724 PolarHBondContact O-N 3.4Å; W721-E725 HydrophobicContact CD2-CG 4.34Å; W721-E725 HydrophobicContact CE3-CG 4.29Å; W721-E725 HydrophobicContact CH2-CG 4.15Å; W721-E725 WeakPolarHBondContact CH2-OE1 3.21Å; W721-E725 VanDerWaalsContact CH2-OE2 3.22Å; W721-E725 WeakPolarHBondContact CH2-OE2 3.19Å; W721-E725 HydrophobicContact CZ2-CG 4.2Å; W721-E725 WeakPolarHBondContact CZ2-OE1 3.29Å; W721-E725 HydrophobicContact CZ3-CG 4.19Å; W721-E725 WeakPolarHBondContact CZ3-OE2 3.41Å; W721-E725 PolarHBondContact O-N 3.47Å; W721-L735 HydrophobicContact CB-CD1 4.37Å; W721-L735 HydrophobicContact CB-CD2 4.33Å; W721-L735 HydrophobicContact CG-CD2 4.33Å; W721-W793 AromaticContact NE1-CZ2 3.86Å
722	R	92.4	Very high	89	Confident	71 Å²	71	40.2 Å²	40.2	27%	0.268	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-41	176	-67	173.4	64.2	96.9	0.7	112	I601 M686 D718 H719 A724 E725 G726	I601-R722 HydrophobicContact CD1-CB 4.38Å; I601-R722 WeakPolarHBondContact CD1-O 3.18Å; M686-R722 HydrophobicContact SD-CB 3.7Å; D718-R722 WeakPolarHBondContact O-CG 3.31Å; D718-R722 PolarHBondContact O-N 3.36Å; D718-R722 WeakPolarHBondContact OD2-CD 3.33Å; H719-R722 PolarHBondContact O-N 3.09Å; R722-A724 VanDerWaalsContact C-N 3.34Å; R722-E725 PolarHBondContact O-N 3.08Å; R722-G726 PolarHBondContact O-N 3.39Å
723	A	92	Very high	89.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-38.1	175.8	0	0	0	0	0	112	L683 M686 I687 H719 L720 W721 G726 G727 D728 C731	L683-A723 HydrophobicContact CD1-CB 4.12Å; M686-A723 HydrophobicContact CB-CB 4.26Å; I687-A723 HydrophobicContact CG1-CB 3.94Å; H719-A723 VanDerWaalsContact O-CB 3.25Å; H719-A723 WeakPolarHBondContact O-CB 3.49Å; H719-A723 PolarHBondContact O-N 2.99Å; L720-A723 PolarHBondContact O-N 3.15Å; W721-A723 PolarHBondContact O-N 3.34Å; A723-G726 WeakPolarHBondContact O-CA 3.12Å; A723-G726 PolarHBondContact O-N 2.96Å; A723-G727 PolarHBondContact O-N 3.42Å; A723-D728 PolarHBondContact O-N 3.43Å; A723-C731 HydrophobicContact CB-CB 3.92Å; A723-C731 VanDerWaalsContact CB-SG 3.58Å
724	A	91.9	Very high	89.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-39.9	173	0	0	0	0	0	112.1	L720 W721 R722 G726 G727 C731 M732 L735 W793	L720-A724 WeakPolarHBondContact O-CB 3.16Å; L720-A724 PolarHBondContact O-N 2.91Å; W721-A724 WeakPolarHBondContact O-CB 3.45Å; W721-A724 PolarHBondContact O-N 3.4Å; R722-A724 VanDerWaalsContact C-N 3.34Å; A724-G726 VanDerWaalsContact C-N 3.28Å; A724-G726 PolarHBondContact O-N 2.95Å; A724-G727 PolarHBondContact O-N 2.72Å; A724-C731 HydrophobicContact CB-CB 4.14Å; A724-M732 HydrophobicContact CB-CB 4.49Å; A724-M732 HydrophobicContact CB-CG 3.94Å; A724-M732 VanDerWaalsContact O-CE 3.24Å; A724-M732 WeakPolarHBondContact O-CE 3.34Å; A724-L735 HydrophobicContact CB-CD2 3.89Å; A724-W793 HydrophobicContact CB-CE3 4.06Å; A724-W793 HydrophobicContact CB-CH2 3.82Å; A724-W793 HydrophobicContact CB-CZ2 4.46Å; A724-W793 HydrophobicContact CB-CZ3 3.62Å; A724-W793 WeakPolarHBondContact O-CZ3 3.43Å
725	E	91.6	Very high	89.6	Confident	97 Å²	97	33.2 Å²	33.2	45%	0.453	17%	0.168	S	C	.	.	H	α-helix	trans	-63	-35	170.7	-73.9	-161.2	141.3	0	0	112.6	I601 W721 R722 G727 W793	I601-E725 HydrophobicContact CD1-CB 4.23Å; W721-E725 HydrophobicContact CD2-CG 4.34Å; W721-E725 HydrophobicContact CE3-CG 4.29Å; W721-E725 HydrophobicContact CH2-CG 4.15Å; W721-E725 WeakPolarHBondContact CH2-OE1 3.21Å; W721-E725 VanDerWaalsContact CH2-OE2 3.22Å; W721-E725 WeakPolarHBondContact CH2-OE2 3.19Å; W721-E725 HydrophobicContact CZ2-CG 4.2Å; W721-E725 WeakPolarHBondContact CZ2-OE1 3.29Å; W721-E725 HydrophobicContact CZ3-CG 4.19Å; W721-E725 WeakPolarHBondContact CZ3-OE2 3.41Å; W721-E725 PolarHBondContact O-N 3.47Å; R722-E725 PolarHBondContact O-N 3.08Å; E725-G727 PolarHBondContact O-N 3.47Å; E725-G727 VanDerWaalsContact O-N 3.16Å; E725-W793 HydrophobicContact CG-CH2 3.78Å; E725-W793 HydrophobicContact CG-CZ2 4.35Å
726	G	88.9	Confident	89.6	Confident	26 Å²	26	30 Å²	30	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.5	174	0	0	0	0	0	115.2	I601 R722 A723 A724	I601-G726 VanDerWaalsContact CG2-CA 3.4Å; R722-G726 PolarHBondContact O-N 3.39Å; A723-G726 WeakPolarHBondContact O-CA 3.12Å; A723-G726 PolarHBondContact O-N 2.96Å; A724-G726 VanDerWaalsContact C-N 3.28Å; A724-G726 PolarHBondContact O-N 2.95Å
727	G	88.5	Confident	89.3	Confident	41 Å²	41	31.5 Å²	31.5	42%	0.423	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	2.1	176.2	0	0	0	0	0	115	A723 A724 E725 R729	A723-G727 PolarHBondContact O-N 3.42Å; A724-G727 PolarHBondContact O-N 2.72Å; E725-G727 PolarHBondContact O-N 3.47Å; E725-G727 VanDerWaalsContact O-N 3.16Å; G727-R729 PolarHBondContact O-N 2.98Å
728	D	89	Confident	89.1	Confident	39 Å²	39	31.5 Å²	31.5	21%	0.209	16%	0.156	C	C	.	.			trans	-72.4	111.9	179.9	-177.8	65.9	0	0	0	111.9	L683 I687 A723 R730 C731 M732	L683-D728 HydrophobicContact CD1-CB 4.42Å; I687-D728 HydrophobicContact CD1-CB 3.97Å; I687-D728 HydrophobicContact CG1-CB 4.42Å; A723-D728 PolarHBondContact O-N 3.43Å; D728-R730 VanDerWaalsContact C-N 3.28Å; D728-R730 PolarHBondContact O-N 2.94Å; D728-R730 WeakPolarHBondContact OD2-CB 3.23Å; D728-R730 PolarHBondContact OD2-N 3.38Å; D728-C731 HydrophobicContact CB-CB 4.13Å; D728-C731 PolarHBondContact O-N 3.36Å; D728-C731 WeakPolarHBondContact OD2-CB 3.46Å; D728-C731 PolarHBondContact OD2-N 3.29Å; D728-C731 PolarHBondContact OD2-SG 3.41Å; D728-M732 WeakPolarHBondContact O-CG 3.38Å; D728-M732 PolarHBondContact O-N 2.91Å
729	R	87.9	Confident	88.9	Confident	55 Å²	55	28.1 Å²	28.1	21%	0.208	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-36.5	-175.9	-179.1	178.8	169.5	-132.4	-5.2	112.2	G727 M732 I733 A797	G727-R729 PolarHBondContact O-N 2.98Å; R729-M732 WeakPolarHBondContact O-CB 3.49Å; R729-M732 PolarHBondContact O-N 2.88Å; R729-I733 HydrophobicContact CG-CD1 4.13Å; R729-I733 WeakPolarHBondContact O-CG1 3.25Å; R729-I733 PolarHBondContact O-N 3.49Å; R729-A797 HydrophobicContact CG-CB 4.2Å; R729-A797 PolarHBondContact NE-O 2.97Å
730	R	84.7	Confident	88.4	Confident	68 Å²	68	27.6 Å²	27.6	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-65.1	-46	179.1	169.9	166.6	-175.8	-177	-1.9	110.9	H691 D728 M732 I733 L734 L828	H691-R730 PolarHBondContact CE1-NE 2.97Å; H691-R730 VanDerWaalsContact CE1-NE 3.3Å; H691-R730 PolarHBondContact CE1-NH2 3.3Å; H691-R730 VanDerWaalsContact CE1-NH2 3.27Å; D728-R730 VanDerWaalsContact C-N 3.28Å; D728-R730 PolarHBondContact O-N 2.94Å; D728-R730 WeakPolarHBondContact OD2-CB 3.23Å; D728-R730 PolarHBondContact OD2-N 3.38Å; R730-M732 VanDerWaalsContact C-N 3.35Å; R730-M732 PolarHBondContact O-N 2.89Å; R730-I733 PolarHBondContact O-N 3.5Å; R730-L734 HydrophobicContact CG-CD1 3.96Å; R730-L734 WeakPolarHBondContact O-CB 3.18Å; R730-L734 WeakPolarHBondContact O-CG 3.47Å; R730-L734 PolarHBondContact O-N 3.2Å; R730-L828 HydrophobicContact CB-CD1 4.36Å; R730-L828 HydrophobicContact CG-CD1 3.59Å
731	C	89.1	Confident	87.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-38.9	175.2	-68	0	0	0	0	111.8	L720 A723 A724 D728 I733 L734 L735	L720-C731 HydrophobicContact CD1-CB 3.84Å; A723-C731 HydrophobicContact CB-CB 3.92Å; A723-C731 VanDerWaalsContact CB-SG 3.58Å; A724-C731 HydrophobicContact CB-CB 4.14Å; D728-C731 HydrophobicContact CB-CB 4.13Å; D728-C731 PolarHBondContact O-N 3.36Å; D728-C731 WeakPolarHBondContact OD2-CB 3.46Å; D728-C731 PolarHBondContact OD2-N 3.29Å; D728-C731 PolarHBondContact OD2-SG 3.41Å; C731-I733 VanDerWaalsContact C-N 3.35Å; C731-I733 PolarHBondContact O-N 3.38Å; C731-L734 PolarHBondContact O-N 3.41Å; C731-L735 WeakPolarHBondContact O-CB 3.41Å; C731-L735 PolarHBondContact O-N 2.92Å
732	M	89.5	Confident	87	Confident	14 Å²	14	26.4 Å²	26.4	7%	0.069	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-45.8	172.9	-65	175.1	-170.7	0	0	112	A724 D728 R729 R730 A736 W793 R796 A797	A724-M732 HydrophobicContact CB-CB 4.49Å; A724-M732 HydrophobicContact CB-CG 3.94Å; A724-M732 VanDerWaalsContact O-CE 3.24Å; A724-M732 WeakPolarHBondContact O-CE 3.34Å; D728-M732 WeakPolarHBondContact O-CG 3.38Å; D728-M732 PolarHBondContact O-N 2.91Å; R729-M732 WeakPolarHBondContact O-CB 3.49Å; R729-M732 PolarHBondContact O-N 2.88Å; R730-M732 VanDerWaalsContact C-N 3.35Å; R730-M732 PolarHBondContact O-N 2.89Å; M732-A736 VanDerWaalsContact O-CB 3.24Å; M732-A736 WeakPolarHBondContact O-CB 3.38Å; M732-A736 PolarHBondContact O-N 2.86Å; M732-W793 HydrophobicContact CB-CE3 4.27Å; M732-W793 HydrophobicContact CG-CE3 3.83Å; M732-W793 HydrophobicContact CG-CZ3 4.05Å; M732-R796 HydrophobicContact SD-CB 3.87Å; M732-A797 HydrophobicContact CB-CB 3.98Å; M732-A797 HydrophobicContact SD-CB 4.35Å
733	I	86.9	Confident	86.2	Confident	6 Å²	6	23.1 Å²	23.1	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-44.6	179.7	-66.5	166.5	0	0	0	111	R729 R730 C731 A736 R737 A797 L829 I834	R729-I733 HydrophobicContact CG-CD1 4.13Å; R729-I733 WeakPolarHBondContact O-CG1 3.25Å; R729-I733 PolarHBondContact O-N 3.49Å; R730-I733 PolarHBondContact O-N 3.5Å; C731-I733 VanDerWaalsContact C-N 3.35Å; C731-I733 PolarHBondContact O-N 3.38Å; I733-A736 PolarHBondContact O-N 2.87Å; I733-R737 WeakPolarHBondContact O-CB 3.16Å; I733-R737 WeakPolarHBondContact O-CG 3.46Å; I733-R737 PolarHBondContact O-N 3.2Å; I733-A797 HydrophobicContact CD1-CB 4.47Å; I733-A797 HydrophobicContact CG1-CB 3.79Å; I733-L829 HydrophobicContact CG2-CD1 3.97Å; I733-I834 HydrophobicContact CD1-CD1 3.85Å; I733-I834 HydrophobicContact CG1-CD1 3.97Å
734	L	86.3	Confident	85	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-41.8	179	-73.2	172.2	0	0	0	111.7	L696 L720 R730 C731 R737 Y738 L828	L696-L734 HydrophobicContact CD1-CD1 3.88Å; L696-L734 HydrophobicContact CD1-CD2 4.49Å; L720-L734 HydrophobicContact CD1-CB 3.96Å; L720-L734 HydrophobicContact CD1-CD1 4.19Å; L720-L734 HydrophobicContact CD2-CB 4.09Å; R730-L734 HydrophobicContact CG-CD1 3.96Å; R730-L734 WeakPolarHBondContact O-CB 3.18Å; R730-L734 WeakPolarHBondContact O-CG 3.47Å; R730-L734 PolarHBondContact O-N 3.2Å; C731-L734 PolarHBondContact O-N 3.41Å; L734-R737 PolarHBondContact O-N 2.92Å; L734-Y738 WeakPolarHBondContact O-CB 3.4Å; L734-Y738 PolarHBondContact O-N 3.15Å; L734-L828 HydrophobicContact CD2-CD2 4.28Å
735	L	88.6	Confident	83.7	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-45.4	176.4	180	66.7	0	0	0	111.5	L720 W721 A724 C731 R737 Y738 L739 W793	L720-L735 HydrophobicContact CD2-CB 4.07Å; L720-L735 HydrophobicContact CD2-CD1 4.39Å; L720-L735 HydrophobicContact CG-CB 4.25Å; W721-L735 HydrophobicContact CB-CD1 4.37Å; W721-L735 HydrophobicContact CB-CD2 4.33Å; W721-L735 HydrophobicContact CG-CD2 4.33Å; A724-L735 HydrophobicContact CB-CD2 3.89Å; C731-L735 WeakPolarHBondContact O-CB 3.41Å; C731-L735 PolarHBondContact O-N 2.92Å; L735-R737 VanDerWaalsContact C-N 3.29Å; L735-R737 PolarHBondContact O-N 2.98Å; L735-Y738 WeakPolarHBondContact O-CB 3.33Å; L735-Y738 PolarHBondContact O-N 3.14Å; L735-L739 HydrophobicContact CG-CD1 4.31Å; L735-L739 WeakPolarHBondContact O-CG 3.29Å; L735-L739 PolarHBondContact O-N 2.74Å; L735-W793 HydrophobicContact CD2-CD2 3.79Å; L735-W793 VanDerWaalsContact CD2-CE2 3.41Å; L735-W793 HydrophobicContact CD2-CG 4.01Å; L735-W793 HydrophobicContact CD2-CH2 4.47Å; L735-W793 HydrophobicContact CD2-CZ2 3.8Å
736	A	88.8	Confident	82.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-40.4	176.1	0	0	0	0	0	111.6	M732 I733 L739 D740 W793 Y794	M732-A736 VanDerWaalsContact O-CB 3.24Å; M732-A736 WeakPolarHBondContact O-CB 3.38Å; M732-A736 PolarHBondContact O-N 2.86Å; I733-A736 PolarHBondContact O-N 2.87Å; A736-L739 PolarHBondContact O-N 3.33Å; A736-D740 VanDerWaalsContact O-CB 3.26Å; A736-D740 WeakPolarHBondContact O-CB 3.43Å; A736-D740 PolarHBondContact O-N 3.37Å; A736-W793 HydrophobicContact CB-CB 3.82Å; A736-Y794 HydrophobicContact CB-CD1 3.42Å; A736-Y794 VanDerWaalsContact CB-CD1 3.42Å; A736-Y794 HydrophobicContact CB-CD2 3.78Å; A736-Y794 HydrophobicContact CB-CE1 3.39Å; A736-Y794 HydrophobicContact CB-CE2 3.75Å; A736-Y794 HydrophobicContact CB-CG 3.62Å
737	R	83.5	Confident	81	Confident	31 Å²	31	29.1 Å²	29.1	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-40.7	173.4	-80.6	-177.4	137	159.4	-0.6	112.9	I733 L734 L735 L739 D740 L741 Y794 L828 L829	I733-R737 WeakPolarHBondContact O-CB 3.16Å; I733-R737 WeakPolarHBondContact O-CG 3.46Å; I733-R737 PolarHBondContact O-N 3.2Å; L734-R737 PolarHBondContact O-N 2.92Å; L735-R737 VanDerWaalsContact C-N 3.29Å; L735-R737 PolarHBondContact O-N 2.98Å; R737-L739 VanDerWaalsContact C-N 3.34Å; R737-D740 PolarHBondContact O-N 3.36Å; R737-L741 WeakPolarHBondContact O-CB 3.29Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.5Å; R737-Y794 WeakPolarHBondContact CA-OH 3.48Å; R737-Y794 HydrophobicContact CG-CE1 4.35Å; R737-Y794 WeakPolarHBondContact CG-OH 3.41Å; R737-Y794 PolarHBondContact N-OH 3.31Å; R737-L828 PolarHBondContact NH1-O 2.8Å; R737-L829 HydrophobicContact CG-CD1 4.36Å; R737-L829 VanDerWaalsContact NE-CD1 3.34Å
738	Y	83.6	Confident	79.6	Confident	25 Å²	25	32.1 Å²	32.1	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-48.9	174.1	166.8	-102.4	0	0	0	110.7	I717 L734 L735 L741 S742 L767 L779	I717-Y738 HydrophobicContact CD1-CD2 4.37Å; I717-Y738 HydrophobicContact CD1-CE1 4.16Å; I717-Y738 HydrophobicContact CD1-CE2 3.62Å; I717-Y738 VanDerWaalsContact CD1-CZ 3.5Å; I717-Y738 WeakPolarHBondContact CD1-OH 3.47Å; I717-Y738 HydrophobicContact CG1-CE2 4.33Å; I717-Y738 HydrophobicContact CG2-CD1 4.36Å; I717-Y738 HydrophobicContact CG2-CE1 4Å; L734-Y738 WeakPolarHBondContact O-CB 3.4Å; L734-Y738 PolarHBondContact O-N 3.15Å; L735-Y738 WeakPolarHBondContact O-CB 3.33Å; L735-Y738 PolarHBondContact O-N 3.14Å; Y738-L741 PolarHBondContact O-N 2.87Å; Y738-S742 WeakPolarHBondContact O-CB 3.48Å; Y738-S742 PolarHBondContact O-N 3.15Å; Y738-L767 HydrophobicContact CD2-CD1 3.86Å; Y738-L767 HydrophobicContact CD2-CD2 3.95Å; Y738-L767 HydrophobicContact CD2-CG 4.48Å; Y738-L767 HydrophobicContact CE2-CD2 3.97Å; Y738-L779 HydrophobicContact CE2-CD2 3.97Å; Y738-L779 VanDerWaalsContact OH-CD2 3.31Å; Y738-L779 WeakPolarHBondContact OH-CD2 3.09Å
739	L	86.7	Confident	77.8	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-34.5	178.1	-67.7	170	0	0	0	113.2	L735 A736 R737 S742 E789 A790	L735-L739 HydrophobicContact CG-CD1 4.31Å; L735-L739 WeakPolarHBondContact O-CG 3.29Å; L735-L739 PolarHBondContact O-N 2.74Å; A736-L739 PolarHBondContact O-N 3.33Å; R737-L739 VanDerWaalsContact C-N 3.34Å; L739-S742 PolarHBondContact O-OG 3.07Å; L739-E789 HydrophobicContact CD1-CB 3.87Å; L739-A790 HydrophobicContact CB-CB 3.76Å; L739-A790 HydrophobicContact CD1-CB 4.48Å
740	D	83.4	Confident	76	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-44.4	175.2	-176.9	12.3	0	0	0	111.4	A736 R737 V743 R837	A736-D740 VanDerWaalsContact O-CB 3.26Å; A736-D740 WeakPolarHBondContact O-CB 3.43Å; A736-D740 PolarHBondContact O-N 3.37Å; R737-D740 PolarHBondContact O-N 3.36Å; D740-V743 VanDerWaalsContact O-CG2 3.3Å; D740-V743 WeakPolarHBondContact O-CG2 3.48Å; D740-R837 VanDerWaalsContact CG-NH2 3.35Å; D740-R837 IonicContact OD1-CZ 3.85Å; D740-R837 IonicContact OD1-NE 2.73Å; D740-R837 IonicContact OD1-NH2 3.59Å; D740-R837 PolarHBondContact OD1-NH2 2.56Å; D740-R837 IonicContact OD2-CZ 2.84Å; D740-R837 IonicContact OD2-NE 3.2Å; D740-R837 PolarHBondContact OD2-NE 3.37Å; D740-R837 IonicContact OD2-NH2 3.41Å; D740-R837 PolarHBondContact OD2-NH2 3.17Å
741	L	77.1	Confident	74.3	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.288	24%	0.236	S	C	.	.	H	α-helix	trans	-77	-25	178.8	-67.3	173.7	0	0	0	113.1	R737 Y738 V743 N744	R737-L741 WeakPolarHBondContact O-CB 3.29Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.5Å; Y738-L741 PolarHBondContact O-N 2.87Å; L741-V743 PolarHBondContact O-N 3.43Å; L741-N744 WeakPolarHBondContact O-CB 3.45Å; L741-N744 PolarHBondContact O-N 2.95Å; L741-N744 PolarHBondContact O-ND2 3.47Å
742	S	76	Confident	72.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-26.3	-174.5	72	0	0	0	0	112.7	Y738 L739 N744 F745 I782 S786	Y738-S742 WeakPolarHBondContact O-CB 3.48Å; Y738-S742 PolarHBondContact O-N 3.15Å; L739-S742 PolarHBondContact O-OG 3.07Å; S742-N744 PolarHBondContact O-N 3.06Å; S742-F745 WeakPolarHBondContact O-CB 3.4Å; S742-F745 VanDerWaalsContact O-CD2 3.23Å; S742-F745 WeakPolarHBondContact O-CD2 3.5Å; S742-F745 PolarHBondContact O-N 3.05Å; S742-I782 VanDerWaalsContact OG-CG2 3.28Å; S742-I782 WeakPolarHBondContact OG-CG2 3.39Å; S742-S786 PolarHBondContact OG-OG 3.49Å
743	V	75.3	Confident	70.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-24.2	178.9	-54.1	0	0	0	0	113.4	D740 L741 F745 L746 N747 W787 F847	D740-V743 VanDerWaalsContact O-CG2 3.3Å; D740-V743 WeakPolarHBondContact O-CG2 3.48Å; L741-V743 PolarHBondContact O-N 3.43Å; V743-F745 PolarHBondContact O-N 3.33Å; V743-L746 WeakPolarHBondContact O-CB 3.09Å; V743-L746 PolarHBondContact O-N 2.86Å; V743-N747 PolarHBondContact O-N 2.88Å; V743-W787 HydrophobicContact CG1-CG 4.4Å; V743-W787 HydrophobicContact CG2-CZ2 4.29Å; V743-F847 HydrophobicContact CB-CD1 3.84Å; V743-F847 HydrophobicContact CB-CD2 3.96Å; V743-F847 HydrophobicContact CB-CE1 3.71Å; V743-F847 HydrophobicContact CB-CE2 3.83Å; V743-F847 HydrophobicContact CB-CG 3.95Å; V743-F847 HydrophobicContact CB-CZ 3.7Å; V743-F847 HydrophobicContact CG1-CB 3.97Å; V743-F847 HydrophobicContact CG1-CD1 3.78Å; V743-F847 HydrophobicContact CG1-CD2 3.87Å; V743-F847 HydrophobicContact CG1-CE1 4.2Å; V743-F847 HydrophobicContact CG1-CE2 4.28Å; V743-F847 HydrophobicContact CG1-CG 3.59Å; V743-F847 HydrophobicContact CG1-CZ 4.43Å; V743-F847 HydrophobicContact CG2-CD2 4.28Å; V743-F847 HydrophobicContact CG2-CE2 3.95Å; V743-F847 HydrophobicContact CG2-CZ 4.13Å
744	N	68.3	Low	68.3	Low	54 Å²	54	59.4 Å²	59.4	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-24.1	174.2	-66.8	-36.4	0	0	0	111.9	L741 S742 F754	L741-N744 WeakPolarHBondContact O-CB 3.45Å; L741-N744 PolarHBondContact O-N 2.95Å; L741-N744 PolarHBondContact O-ND2 3.47Å; S742-N744 PolarHBondContact O-N 3.06Å; N744-F754 WeakPolarHBondContact OD1-CE2 3.46Å
745	F	63.8	Low	66.1	Low	45 Å²	45	63.4 Å²	63.4	20%	0.197	32%	0.32	C	S	.	.	H	α-helix	trans	-79.3	-23.4	173.9	-56	-69.2	0	0	0	112.9	S742 V743 L771 H776 L779 I782	S742-F745 WeakPolarHBondContact O-CB 3.4Å; S742-F745 VanDerWaalsContact O-CD2 3.23Å; S742-F745 WeakPolarHBondContact O-CD2 3.5Å; S742-F745 PolarHBondContact O-N 3.05Å; V743-F745 PolarHBondContact O-N 3.33Å; F745-L771 HydrophobicContact CD1-CD2 4.5Å; F745-L771 HydrophobicContact CE1-CD2 3.4Å; F745-L771 HydrophobicContact CE1-CG 4.2Å; F745-L771 HydrophobicContact CZ-CD2 3.55Å; F745-L771 HydrophobicContact CZ-CG 4.02Å; F745-H776 AromaticContact CD1-ND1 3.92Å; F745-L779 HydrophobicContact CD1-CD1 4.45Å; F745-L779 HydrophobicContact CD2-CD1 4.24Å; F745-L779 HydrophobicContact CE1-CD1 4.05Å; F745-L779 HydrophobicContact CE2-CD1 3.89Å; F745-L779 HydrophobicContact CZ-CD1 3.78Å; F745-I782 HydrophobicContact CB-CD1 3.98Å; F745-I782 HydrophobicContact CD2-CD1 3.81Å; F745-I782 HydrophobicContact CG-CD1 4.28Å
746	L	63.3	Low	63.7	Low	72 Å²	72	65.7 Å²	65.7	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-79.9	-30.5	179.9	-67.9	172.8	0	0	0	112.3	V743 I782 F847	V743-L746 WeakPolarHBondContact O-CB 3.09Å; V743-L746 PolarHBondContact O-N 2.86Å; L746-I782 HydrophobicContact CD1-CG2 3.93Å; L746-I782 HydrophobicContact CG-CG2 4.25Å; L746-F847 HydrophobicContact CB-CE1 4.26Å; L746-F847 HydrophobicContact CD1-CD1 4.08Å; L746-F847 HydrophobicContact CD1-CE1 4.31Å
747	N	61.2	Low	61.2	Low	80 Å²	80	70 Å²	70	43%	0.428	36%	0.361	S	S	.	.			trans	-134.3	78.7	-178.7	-77.2	-39.6	0	0	0	111.9	V743 E749 H750	V743-N747 PolarHBondContact O-N 2.88Å; N747-E749 PolarHBondContact O-N 3.46Å; N747-E749 VanDerWaalsContact O-N 3.15Å; N747-H750 PolarHBondContact O-N 3.27Å; N747-H750 VanDerWaalsContact O-N 3.11Å
748	P	58.6	Low	58.9	Low	104 Å²	104	73 Å²	73	68%	0.675	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.5	176.4	21.8	-30.6	0	0	0	113.5	H750	P748-H750 VanDerWaalsContact C-N 3.33Å
749	E	51.9	Low	56.7	Low	188 Å²	188	81.8 Å²	81.8	88%	0.879	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.1	177.4	-62.4	-151.9	163.2	0	0	114.5	N747	N747-E749 PolarHBondContact O-N 3.46Å; N747-E749 VanDerWaalsContact O-N 3.15Å
750	H	49.2	Very low	54.7	Low	123 Å²	123	84 Å²	84	57%	0.569	43%	0.431	S	S	*	.			trans	-121.9	78.7	170.6	-87.9	17.2	0	0	0	108.7	N747 P748 F752	N747-H750 PolarHBondContact O-N 3.27Å; N747-H750 VanDerWaalsContact O-N 3.11Å; P748-H750 VanDerWaalsContact C-N 3.33Å; H750-F752 HydrophobicContact CB-CD2 4.46Å; H750-F752 HydrophobicContact CB-CE2 4.13Å; H750-F752 HydrophobicContact CB-CZ 4.45Å; H750-F752 WeakPolarHBondContact O-CD2 3.25Å; H750-F752 PolarHBondContact O-N 2.65Å
751	Q	49.3	Very low	52.8	Low	172 Å²	172	86.3 Å²	86.3	80%	0.804	44%	0.443	S	S	*	.			trans	-61.3	95	155.9	-83.1	-176	-5.2	0	0	107.1	N753	Q751-N753 PolarHBondContact O-N 2.77Å; Q751-N753 VanDerWaalsContact O-N 3.12Å
752	F	49.1	Very low	51.2	Low	61 Å²	61	89 Å²	89	27%	0.268	46%	0.458	S	S	.	.			trans	-59.3	119.2	167.3	-72.5	-82.4	0	0	0	106.6	H750 F754 V844 F847	H750-F752 HydrophobicContact CB-CD2 4.46Å; H750-F752 HydrophobicContact CB-CE2 4.13Å; H750-F752 HydrophobicContact CB-CZ 4.45Å; H750-F752 WeakPolarHBondContact O-CD2 3.25Å; H750-F752 PolarHBondContact O-N 2.65Å; F752-F754 HydrophobicContact CB-CD1 4.13Å; F752-F754 HydrophobicContact CB-CD2 3.87Å; F752-F754 HydrophobicContact CB-CE1 3.77Å; F752-F754 HydrophobicContact CB-CE2 3.49Å; F752-F754 VanDerWaalsContact CB-CE2 3.49Å; F752-F754 HydrophobicContact CB-CG 4.2Å; F752-F754 HydrophobicContact CB-CZ 3.44Å; F752-F754 VanDerWaalsContact CB-CZ 3.44Å; F752-F754 HydrophobicContact CD2-CZ 4.17Å; F752-F754 HydrophobicContact CG-CE1 4.32Å; F752-F754 HydrophobicContact CG-CE2 4.34Å; F752-F754 AromaticContact CG-CZ 3.93Å; F752-F754 HydrophobicContact CG-CZ 3.93Å; F752-F754 WeakPolarHBondContact O-CD2 3.35Å; F752-F754 PolarHBondContact O-N 3.24Å; F752-V844 HydrophobicContact CE1-CG1 4.13Å; F752-F847 AromaticContact CE2-CE2 3.91Å; F752-F847 HydrophobicContact CE2-CE2 3.91Å; F752-F847 HydrophobicContact CE2-CZ 4.05Å; F752-F847 HydrophobicContact CZ-CE2 4.22Å
753	N	42.8	Very low	50	Low	163 Å²	163	92.1 Å²	92.1	87%	0.872	47%	0.473	S	S	*	.			trans	-68	75.4	169	-78.7	-28.7	0	0	0	107.7	Q751 T755	Q751-N753 PolarHBondContact O-N 2.77Å; Q751-N753 VanDerWaalsContact O-N 3.12Å; N753-T755 PolarHBondContact O-N 2.91Å
754	F	47	Very low	49.2	Very low	48 Å²	48	92.5 Å²	92.5	21%	0.211	48%	0.475	C	S	.	.			trans	-66.6	135.1	173.2	-64.7	-63.5	0	0	0	108.6	N744 F752 T756 W787 R837	N744-F754 WeakPolarHBondContact OD1-CE2 3.46Å; F752-F754 HydrophobicContact CB-CD1 4.13Å; F752-F754 HydrophobicContact CB-CD2 3.87Å; F752-F754 HydrophobicContact CB-CE1 3.77Å; F752-F754 HydrophobicContact CB-CE2 3.49Å; F752-F754 VanDerWaalsContact CB-CE2 3.49Å; F752-F754 HydrophobicContact CB-CG 4.2Å; F752-F754 HydrophobicContact CB-CZ 3.44Å; F752-F754 VanDerWaalsContact CB-CZ 3.44Å; F752-F754 HydrophobicContact CD2-CZ 4.17Å; F752-F754 HydrophobicContact CG-CE1 4.32Å; F752-F754 HydrophobicContact CG-CE2 4.34Å; F752-F754 AromaticContact CG-CZ 3.93Å; F752-F754 HydrophobicContact CG-CZ 3.93Å; F752-F754 WeakPolarHBondContact O-CD2 3.35Å; F752-F754 PolarHBondContact O-N 3.24Å; F754-T756 WeakPolarHBondContact CB-OG1 3.22Å; F754-T756 PolarHBondContact O-N 3.38Å; F754-T756 VanDerWaalsContact O-N 3.12Å; F754-W787 HydrophobicContact CE1-CZ2 4.27Å; F754-W787 HydrophobicContact CZ-CZ2 4.15Å; F754-R837 VanDerWaalsContact CD1-NH1 3.32Å; F754-R837 VanDerWaalsContact CD1-NH2 3.33Å
755	T	40.5	Very low	48.5	Very low	85 Å²	85	92.9 Å²	92.9	52%	0.521	48%	0.48	S	S	.	.	S	Bend	trans	-62.3	-9	171.9	29.1	0	0	0	0	113.1	N753 T757 E840	N753-T755 PolarHBondContact O-N 2.91Å; T755-T757 PolarHBondContact O-N 3.44Å; T755-T757 VanDerWaalsContact O-N 3.11Å; T755-E840 PolarHBondContact OG1-OE1 2.83Å
756	T	38.7	Very low	48	Very low	52 Å²	52	91.5 Å²	91.5	32%	0.319	48%	0.477	S	S	.	.			trans	-70.3	99.1	169.2	44.4	0	0	0	0	110.1	F754 D760	F754-T756 WeakPolarHBondContact CB-OG1 3.22Å; F754-T756 PolarHBondContact O-N 3.38Å; F754-T756 VanDerWaalsContact O-N 3.12Å; T756-D760 WeakPolarHBondContact CA-OD2 3.4Å; T756-D760 HydrophobicContact CG2-CB 4.21Å
757	T	35.5	Very low	47.5	Very low	90 Å²	90	88.4 Å²	88.4	55%	0.552	46%	0.461	S	S	*	.			trans	-54.7	151.9	170.7	55.2	0	0	0	0	110.5	T755 R759 D760	T755-T757 PolarHBondContact O-N 3.44Å; T755-T757 VanDerWaalsContact O-N 3.11Å; T757-R759 PolarHBondContact O-N 3.22Å; T757-D760 PolarHBondContact N-OD2 2.97Å; T757-D760 PolarHBondContact O-N 3.45Å; T757-D760 PolarHBondContact OG1-OD2 2.83Å
758	S	35.1	Very low	47.2	Very low	95 Å²	95	88.2 Å²	88.2	66%	0.664	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-7.6	178	-56.5	0	0	0	0	115.7
759	R	38.2	Very low	47	Very low	209 Å²	209	86.2 Å²	86.2	79%	0.789	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.7	169.9	-75.5	-177.6	173.7	164.8	-2.5	113.8	T757 I761 L762	T757-R759 PolarHBondContact O-N 3.22Å; R759-I761 VanDerWaalsContact C-N 3.33Å; R759-L762 WeakPolarHBondContact O-CD1 3.48Å
760	D	43.4	Very low	47	Very low	58 Å²	58	78.3 Å²	78.3	31%	0.31	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-86	-9.9	175	-59.5	-48.7	0	0	0	112.4	T756 T757 L762	T756-D760 WeakPolarHBondContact CA-OD2 3.4Å; T756-D760 HydrophobicContact CG2-CB 4.21Å; T757-D760 PolarHBondContact N-OD2 2.97Å; T757-D760 PolarHBondContact O-N 3.45Å; T757-D760 PolarHBondContact OG1-OD2 2.83Å; D760-L762 PolarHBondContact O-N 2.78Å
761	I	43.9	Very low	47.1	Very low	57 Å²	57	76.3 Å²	76.3	29%	0.292	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-75	-8.8	176.1	-58.9	179.2	0	0	0	111.5	R759 M763	R759-I761 VanDerWaalsContact C-N 3.33Å; I761-M763 VanDerWaalsContact C-N 3.26Å; I761-M763 PolarHBondContact O-N 3.38Å
762	L	44	Very low	47.4	Very low	112 Å²	112	73.9 Å²	73.9	59%	0.586	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-69.2	-1.6	-171.1	-94.2	159.6	0	0	0	116.9	R759 D760	R759-L762 WeakPolarHBondContact O-CD1 3.48Å; D760-L762 PolarHBondContact O-N 2.78Å
763	M	51	Low	47.5	Very low	65 Å²	65	76 Å²	76	32%	0.32	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-101.1	-2.7	-173.2	-66.4	-51.4	-58.4	0	0	115.9	L696 I761 L828	L696-M763 WeakPolarHBondContact CD2-O 3.25Å; I761-M763 VanDerWaalsContact C-N 3.26Å; I761-M763 PolarHBondContact O-N 3.38Å; M763-L828 HydrophobicContact CB-CD2 4.13Å; M763-L828 HydrophobicContact CE-CD2 3.15Å; M763-L828 HydrophobicContact CE-CG 4.08Å; M763-L828 HydrophobicContact CG-CD2 3.71Å; M763-L828 HydrophobicContact SD-CD2 3.98Å
764	L	58.4	Low	47.9	Very low	10 Å²	10	74.7 Å²	74.7	5%	0.052	40%	0.402	C	S	.	.			trans	-133.5	74.1	170.1	-79	147.1	0	0	0	109.5	L694 L696 A766 L767 Q768	L694-L764 HydrophobicContact CB-CD2 4.49Å; L694-L764 HydrophobicContact CD1-CD2 4.18Å; L696-L764 HydrophobicContact CD1-CD2 4.35Å; L764-A766 PolarHBondContact O-N 2.48Å; L764-A766 VanDerWaalsContact O-N 3.15Å; L764-L767 HydrophobicContact CB-CB 3.94Å; L764-L767 HydrophobicContact CB-CD1 3.63Å; L764-L767 HydrophobicContact CB-CG 3.83Å; L764-L767 HydrophobicContact CD1-CD1 3.5Å; L764-L767 HydrophobicContact CD1-CG 4.48Å; L764-L767 HydrophobicContact CD2-CD1 4.26Å; L764-L767 HydrophobicContact CD2-CG 4.46Å; L764-L767 HydrophobicContact CG-CD1 3.96Å; L764-L767 HydrophobicContact CG-CG 4.45Å; L764-L767 WeakPolarHBondContact O-CB 3.38Å; L764-L767 PolarHBondContact O-N 2.93Å; L764-Q768 PolarHBondContact O-N 2.94Å
765	P	54.5	Low	48.1	Very low	61 Å²	61	74.3 Å²	74.3	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-52.7	-35.2	178.9	-25.7	35.7	0	0	0	113.1	Q768 S769	P765-Q768 PolarHBondContact O-N 3.39Å; P765-S769 PolarHBondContact O-N 2.74Å
766	A	52.6	Low	48.6	Very low	16 Å²	16	75.6 Å²	75.6	13%	0.132	41%	0.405	C	S	.	.	H	α-helix	trans	-60.7	-44.9	173.1	0	0	0	0	0	112.3	L694 L764 Q768 S769 F770	L694-A766 VanDerWaalsContact C-CB 3.44Å; L694-A766 WeakPolarHBondContact O-CB 3.46Å; L764-A766 PolarHBondContact O-N 2.48Å; L764-A766 VanDerWaalsContact O-N 3.15Å; A766-Q768 VanDerWaalsContact C-N 3.26Å; A766-Q768 PolarHBondContact O-N 2.99Å; A766-S769 WeakPolarHBondContact O-CB 3.41Å; A766-S769 PolarHBondContact O-N 3.24Å; A766-F770 VanDerWaalsContact O-CD2 3.27Å; A766-F770 WeakPolarHBondContact O-CD2 3.35Å; A766-F770 PolarHBondContact O-N 2.8Å
767	L	52.9	Low	49.2	Very low	8 Å²	8	77.5 Å²	77.5	4%	0.042	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-36.4	176.6	-69.6	178	0	0	0	111.7	I713 Y738 L764 F770 L771	I713-L767 HydrophobicContact CD1-CD2 4.23Å; Y738-L767 HydrophobicContact CD2-CD1 3.86Å; Y738-L767 HydrophobicContact CD2-CD2 3.95Å; Y738-L767 HydrophobicContact CD2-CG 4.48Å; Y738-L767 HydrophobicContact CE2-CD2 3.97Å; L764-L767 HydrophobicContact CB-CB 3.94Å; L764-L767 HydrophobicContact CB-CD1 3.63Å; L764-L767 HydrophobicContact CB-CG 3.83Å; L764-L767 HydrophobicContact CD1-CD1 3.5Å; L764-L767 HydrophobicContact CD1-CG 4.48Å; L764-L767 HydrophobicContact CD2-CD1 4.26Å; L764-L767 HydrophobicContact CD2-CG 4.46Å; L764-L767 HydrophobicContact CG-CD1 3.96Å; L764-L767 HydrophobicContact CG-CG 4.45Å; L764-L767 WeakPolarHBondContact O-CB 3.38Å; L764-L767 PolarHBondContact O-N 2.93Å; L767-F770 PolarHBondContact O-N 3.35Å; L767-L771 WeakPolarHBondContact O-CB 3.12Å; L767-L771 WeakPolarHBondContact O-CD1 3.33Å; L767-L771 WeakPolarHBondContact O-CG 3.33Å; L767-L771 PolarHBondContact O-N 3.18Å
768	Q	54.5	Low	49.9	Very low	76 Å²	76	75.7 Å²	75.7	36%	0.355	41%	0.407	S	S	.	.	H	α-helix	trans	-68.9	-37.4	177.8	-165.8	158.5	10.1	0	0	112.8	L764 P765 A766 F770 L771 N772	L764-Q768 PolarHBondContact O-N 2.94Å; P765-Q768 PolarHBondContact O-N 3.39Å; A766-Q768 VanDerWaalsContact C-N 3.26Å; A766-Q768 PolarHBondContact O-N 2.99Å; Q768-F770 VanDerWaalsContact C-N 3.34Å; Q768-L771 PolarHBondContact O-N 3.31Å; Q768-N772 VanDerWaalsContact O-CG 3.26Å; Q768-N772 PolarHBondContact O-N 2.99Å; Q768-N772 PolarHBondContact O-ND2 2.82Å
769	S	54.1	Low	50.8	Low	62 Å²	62	72 Å²	72	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-40.9	169.5	176	0	0	0	0	112	P765 A766 N772 N773	P765-S769 PolarHBondContact O-N 2.74Å; A766-S769 WeakPolarHBondContact O-CB 3.41Å; A766-S769 PolarHBondContact O-N 3.24Å; S769-N772 PolarHBondContact O-N 2.93Å; S769-N773 PolarHBondContact O-N 3Å
770	F	51.7	Low	51.4	Low	22 Å²	22	66.5 Å²	66.5	10%	0.096	37%	0.373	C	S	.	.	H	α-helix	trans	-68.3	-37.7	178.4	-94.6	-80.2	0	0	0	112.9	P710 I713 A766 L767 Q768 N772 N773 L778	P710-F770 HydrophobicContact CB-CE2 4.19Å; P710-F770 HydrophobicContact CB-CZ 3.69Å; P710-F770 WeakPolarHBondContact O-CZ 3.34Å; I713-F770 HydrophobicContact CB-CE2 4.06Å; I713-F770 HydrophobicContact CB-CZ 4.31Å; I713-F770 HydrophobicContact CD1-CD2 3.44Å; I713-F770 VanDerWaalsContact CD1-CD2 3.44Å; I713-F770 HydrophobicContact CD1-CE2 3.62Å; I713-F770 HydrophobicContact CD1-CG 4.11Å; I713-F770 HydrophobicContact CD1-CZ 4.4Å; I713-F770 HydrophobicContact CG1-CE2 4.38Å; I713-F770 HydrophobicContact CG2-CE2 4.32Å; I713-F770 HydrophobicContact CG2-CZ 4.14Å; A766-F770 VanDerWaalsContact O-CD2 3.27Å; A766-F770 WeakPolarHBondContact O-CD2 3.35Å; A766-F770 PolarHBondContact O-N 2.8Å; L767-F770 PolarHBondContact O-N 3.35Å; Q768-F770 VanDerWaalsContact C-N 3.34Å; F770-N772 PolarHBondContact O-N 2.85Å; F770-N773 PolarHBondContact O-N 2.96Å; F770-L778 HydrophobicContact CE1-CD1 4.08Å
771	L	51.8	Low	52	Low	80 Å²	80	68.6 Å²	68.6	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-31.8	173.5	-78.4	162.2	0	0	0	112.4	F745 L767 Q768	F745-L771 HydrophobicContact CD1-CD2 4.5Å; F745-L771 HydrophobicContact CE1-CD2 3.4Å; F745-L771 HydrophobicContact CE1-CG 4.2Å; F745-L771 HydrophobicContact CZ-CD2 3.55Å; F745-L771 HydrophobicContact CZ-CG 4.02Å; L767-L771 WeakPolarHBondContact O-CB 3.12Å; L767-L771 WeakPolarHBondContact O-CD1 3.33Å; L767-L771 WeakPolarHBondContact O-CG 3.33Å; L767-L771 PolarHBondContact O-N 3.18Å; Q768-L771 PolarHBondContact O-N 3.31Å
772	N	55.1	Low	53	Low	121 Å²	121	67 Å²	67	65%	0.647	38%	0.384	S	S	*	.	H	α-helix	trans	-86.2	-16.1	-176.8	-68.9	-20.3	0	0	0	114.5	Q768 S769 F770	Q768-N772 VanDerWaalsContact O-CG 3.26Å; Q768-N772 PolarHBondContact O-N 2.99Å; Q768-N772 PolarHBondContact O-ND2 2.82Å; S769-N772 PolarHBondContact O-N 2.93Å; F770-N772 PolarHBondContact O-N 2.85Å
773	N	52.9	Low	54.3	Low	106 Å²	106	63 Å²	63	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	18.9	-169.8	-78.8	-16	0	0	0	114.3	S769 F770 S775	S769-N773 PolarHBondContact O-N 3Å; F770-N773 PolarHBondContact O-N 2.96Å; N773-S775 PolarHBondContact O-N 3.23Å; N773-S775 PolarHBondContact O-OG 2.89Å
774	D	50.2	Low	55.4	Low	136 Å²	136	64.5 Å²	64.5	73%	0.727	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	23.1	179.1	-75.8	-27	0	0	0	114.7	H776	D774-H776 PolarHBondContact O-N 2.87Å
775	S	51	Low	56.6	Low	40 Å²	40	67.8 Å²	67.8	28%	0.28	40%	0.398	S	S	.	.			trans	-86.7	42.9	-172.6	-54	0	0	0	0	111.5	N773 S777 L778	N773-S775 PolarHBondContact O-N 3.23Å; N773-S775 PolarHBondContact O-OG 2.89Å; S775-S777 PolarHBondContact O-N 2.63Å; S775-S777 VanDerWaalsContact O-N 3.1Å; S775-L778 PolarHBondContact O-N 3.3Å
776	H	51.7	Low	58.1	Low	111 Å²	111	64.9 Å²	64.9	51%	0.514	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.3	-20.3	-174.4	-69.5	-72.4	0	0	0	113.7	F745 D774 L778	F745-H776 AromaticContact CD1-ND1 3.92Å; D774-H776 PolarHBondContact O-N 2.87Å; H776-L778 VanDerWaalsContact C-N 3.28Å; H776-L778 PolarHBondContact O-N 3.26Å
777	S	50.4	Low	59.9	Low	92 Å²	92	64.2 Å²	64.2	64%	0.643	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.4	179.7	61.5	0	0	0	0	113.9	S775 S780	S775-S777 PolarHBondContact O-N 2.63Å; S775-S777 VanDerWaalsContact O-N 3.1Å; S777-S780 WeakPolarHBondContact O-CB 3.32Å; S777-S780 PolarHBondContact O-OG 2.89Å
778	L	49.8	Very low	61.8	Low	52 Å²	52	65.6 Å²	65.6	27%	0.272	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-88.7	-9.3	-174.7	-67.8	173.3	0	0	0	114.1	R714 F770 S775 H776	R714-L778 PolarHBondContact NH1-O 3.29Å; R714-L778 PolarHBondContact NH2-O 2.86Å; F770-L778 HydrophobicContact CE1-CD1 4.08Å; S775-L778 PolarHBondContact O-N 3.3Å; H776-L778 VanDerWaalsContact C-N 3.28Å; H776-L778 PolarHBondContact O-N 3.26Å
779	L	55.2	Low	63.5	Low	17 Å²	17	65.2 Å²	65.2	9%	0.089	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-103.2	14.4	176.7	-79.1	157.7	0	0	0	112.9	Y738 F745 S781 I782	Y738-L779 HydrophobicContact CE2-CD2 3.97Å; Y738-L779 VanDerWaalsContact OH-CD2 3.31Å; Y738-L779 WeakPolarHBondContact OH-CD2 3.09Å; F745-L779 HydrophobicContact CD1-CD1 4.45Å; F745-L779 HydrophobicContact CD2-CD1 4.24Å; F745-L779 HydrophobicContact CE1-CD1 4.05Å; F745-L779 HydrophobicContact CE2-CD1 3.89Å; F745-L779 HydrophobicContact CZ-CD1 3.78Å; L779-S781 PolarHBondContact O-N 2.7Å; L779-I782 HydrophobicContact CB-CD1 4.05Å; L779-I782 WeakPolarHBondContact O-CD1 3.37Å; L779-I782 VanDerWaalsContact O-CG1 3.31Å; L779-I782 WeakPolarHBondContact O-CG1 3.35Å; L779-I782 PolarHBondContact O-N 2.92Å
780	S	50	Low	65.3	Low	94 Å²	94	62.3 Å²	62.3	66%	0.657	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	16.6	-170.6	42.4	0	0	0	0	117.4	S777	S777-S780 WeakPolarHBondContact O-CB 3.32Å; S777-S780 PolarHBondContact O-OG 2.89Å
781	S	56.7	Low	67.3	Low	102 Å²	102	61.5 Å²	61.5	71%	0.713	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	28.3	178.8	179.9	0	0	0	0	112.3	L779 S783	L779-S781 PolarHBondContact O-N 2.7Å; S781-S783 PolarHBondContact O-N 2.97Å
782	I	64.4	Low	69.3	Low	24 Å²	24	61.1 Å²	61.1	12%	0.123	36%	0.359	C	S	.	.			trans	-73	125.7	175.4	-66.6	157.2	0	0	0	108.7	S742 F745 L746 L779 S786	S742-I782 VanDerWaalsContact OG-CG2 3.28Å; S742-I782 WeakPolarHBondContact OG-CG2 3.39Å; F745-I782 HydrophobicContact CB-CD1 3.98Å; F745-I782 HydrophobicContact CD2-CD1 3.81Å; F745-I782 HydrophobicContact CG-CD1 4.28Å; L746-I782 HydrophobicContact CD1-CG2 3.93Å; L746-I782 HydrophobicContact CG-CG2 4.25Å; L779-I782 HydrophobicContact CB-CD1 4.05Å; L779-I782 WeakPolarHBondContact O-CD1 3.37Å; L779-I782 VanDerWaalsContact O-CG1 3.31Å; L779-I782 WeakPolarHBondContact O-CG1 3.35Å; L779-I782 PolarHBondContact O-N 2.92Å; I782-S786 WeakPolarHBondContact CG2-OG 3.35Å
783	S	72.3	Confident	71.1	Confident	29 Å²	29	56 Å²	56	20%	0.203	33%	0.33	C	S	.	.			trans	-57.4	134.1	178.4	176.7	0	0	0	0	110.6	S781 D785 S786 E789	S781-S783 PolarHBondContact O-N 2.97Å; S783-D785 PolarHBondContact O-N 3.24Å; S783-D785 VanDerWaalsContact O-N 3.11Å; S783-D785 PolarHBondContact OG-N 3.41Å; S783-S786 WeakPolarHBondContact O-CB 3.43Å; S783-S786 PolarHBondContact O-N 2.87Å; S783-S786 PolarHBondContact O-OG 2.93Å; S783-E789 WeakPolarHBondContact CB-OE1 3.49Å; S783-E789 PolarHBondContact OG-OE1 3.34Å
784	P	73.4	Confident	73	Confident	95 Å²	95	51 Å²	51	62%	0.617	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.5	172.6	27.8	-34.6	0	0	0	112.2	F847	P784-F847 CarbonylContact O-C 3.54Å; P784-F847 VanDerWaalsContact O-C 3.23Å; P784-F847 VanDerWaalsContact O-CA 3.29Å; P784-F847 WeakPolarHBondContact O-CA 3.5Å
785	D	83.9	Confident	75.1	Confident	79 Å²	79	50.2 Å²	50.2	42%	0.422	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	23.9	-177.9	-63.1	-39.2	0	0	0	112.9	S783 W787 S788 E789 F847 G848	S783-D785 PolarHBondContact O-N 3.24Å; S783-D785 VanDerWaalsContact O-N 3.11Å; S783-D785 PolarHBondContact OG-N 3.41Å; D785-W787 VanDerWaalsContact C-N 3.31Å; D785-W787 PolarHBondContact O-N 2.93Å; D785-W787 VanDerWaalsContact O-N 3.16Å; D785-S788 WeakPolarHBondContact CB-OG 3.31Å; D785-S788 WeakPolarHBondContact O-CB 3.43Å; D785-S788 PolarHBondContact O-N 2.99Å; D785-S788 PolarHBondContact O-OG 2.62Å; D785-E789 PolarHBondContact O-N 2.88Å; D785-E789 VanDerWaalsContact O-N 3.13Å; D785-F847 CarbonylContact C-O 3.45Å; D785-F847 VanDerWaalsContact CA-O 3.31Å; D785-F847 WeakPolarHBondContact CA-O 3.48Å; D785-G848 WeakPolarHBondContact OD1-CA 3.49Å
786	S	85	Confident	77.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-51.3	-39.3	-173.8	-73.1	0	0	0	0	114.8	S742 I782 S783 E789 A790 F847	S742-S786 PolarHBondContact OG-OG 3.49Å; I782-S786 WeakPolarHBondContact CG2-OG 3.35Å; S783-S786 WeakPolarHBondContact O-CB 3.43Å; S783-S786 PolarHBondContact O-N 2.87Å; S783-S786 PolarHBondContact O-OG 2.93Å; S786-E789 PolarHBondContact O-N 2.77Å; S786-A790 VanDerWaalsContact O-CB 3.26Å; S786-A790 WeakPolarHBondContact O-CB 3.36Å; S786-A790 PolarHBondContact O-N 2.92Å; S786-F847 PolarHBondContact N-O 3.32Å
787	W	91.6	Very high	78.9	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-73.8	-33.6	178.2	-81.8	7.4	0	0	0	112.7	V743 F754 D785 E789 A790 V791 M841 V844 G845 F847 L849	V743-W787 HydrophobicContact CG1-CG 4.4Å; V743-W787 HydrophobicContact CG2-CZ2 4.29Å; F754-W787 HydrophobicContact CE1-CZ2 4.27Å; F754-W787 HydrophobicContact CZ-CZ2 4.15Å; D785-W787 VanDerWaalsContact C-N 3.31Å; D785-W787 PolarHBondContact O-N 2.93Å; D785-W787 VanDerWaalsContact O-N 3.16Å; W787-E789 VanDerWaalsContact C-N 3.31Å; W787-A790 PolarHBondContact O-N 2.97Å; W787-V791 WeakPolarHBondContact O-CB 3.35Å; W787-V791 VanDerWaalsContact O-CG2 3.28Å; W787-V791 WeakPolarHBondContact O-CG2 3.44Å; W787-V791 PolarHBondContact O-N 2.88Å; W787-M841 HydrophobicContact CB-CE 3.61Å; W787-M841 HydrophobicContact CD2-CE 3.93Å; W787-M841 HydrophobicContact CE3-CB 4.38Å; W787-M841 HydrophobicContact CG-CE 3.43Å; W787-M841 VanDerWaalsContact CG-CE 3.43Å; W787-V844 HydrophobicContact CH2-CB 4.25Å; W787-V844 HydrophobicContact CH2-CG1 4.12Å; W787-V844 HydrophobicContact CZ3-CB 4.07Å; W787-V844 HydrophobicContact CZ3-CG1 4.13Å; W787-G845 VanDerWaalsContact CZ3-O 3.23Å; W787-G845 WeakPolarHBondContact CZ3-O 3.48Å; W787-F847 HydrophobicContact CB-CB 3.97Å; W787-F847 HydrophobicContact CD2-CB 4.33Å; W787-F847 AromaticContact CD2-CD2 3.73Å; W787-F847 HydrophobicContact CD2-CD2 3.73Å; W787-F847 HydrophobicContact CD2-CG 4.49Å; W787-F847 AromaticContact CE2-CD2 3.78Å; W787-F847 HydrophobicContact CE3-CD2 4.02Å; W787-F847 HydrophobicContact CG-CB 3.93Å; W787-F847 HydrophobicContact CG-CD2 4.14Å; W787-F847 HydrophobicContact CG-CG 4.46Å; W787-F847 HydrophobicContact CH2-CD2 4.36Å; W787-F847 HydrophobicContact CH2-CE2 4.44Å; W787-F847 HydrophobicContact CZ2-CD2 4.1Å; W787-F847 HydrophobicContact CZ2-CE2 4.19Å; W787-F847 HydrophobicContact CZ3-CD2 4.34Å; W787-F847 PolarHBondContact N-O 2.96Å; W787-L849 HydrophobicContact CB-CB 3.93Å; W787-L849 HydrophobicContact CB-CD2 4.47Å; W787-L849 HydrophobicContact CE3-CD2 4.47Å
788	S	91.7	Very high	80.8	Confident	37 Å²	37	44.5 Å²	44.5	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-40.7	174.1	79.2	0	0	0	0	111.2	D785 V792 F847	D785-S788 WeakPolarHBondContact CB-OG 3.31Å; D785-S788 WeakPolarHBondContact O-CB 3.43Å; D785-S788 PolarHBondContact O-N 2.99Å; D785-S788 PolarHBondContact O-OG 2.62Å; S788-V792 WeakPolarHBondContact O-CG2 3.38Å; S788-V792 PolarHBondContact O-N 3.26Å; S788-F847 PolarHBondContact N-O 2.99Å
789	E	91.3	Very high	82.8	Confident	69 Å²	69	46.1 Å²	46.1	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-70.2	-44.4	176.4	-67.3	178.3	-140	0	0	111.9	L739 S783 D785 S786 W787 V791 V792 W793	L739-E789 HydrophobicContact CD1-CB 3.87Å; S783-E789 WeakPolarHBondContact CB-OE1 3.49Å; S783-E789 PolarHBondContact OG-OE1 3.34Å; D785-E789 PolarHBondContact O-N 2.88Å; D785-E789 VanDerWaalsContact O-N 3.13Å; S786-E789 PolarHBondContact O-N 2.77Å; W787-E789 VanDerWaalsContact C-N 3.31Å; E789-V791 VanDerWaalsContact C-N 3.33Å; E789-V791 PolarHBondContact O-N 2.93Å; E789-V792 WeakPolarHBondContact O-CB 3.3Å; E789-V792 PolarHBondContact O-N 2.79Å; E789-V792 VanDerWaalsContact O-N 3.14Å; E789-W793 PolarHBondContact O-N 2.95Å; E789-W793 VanDerWaalsContact O-N 3.13Å
790	A	91.4	Very high	84.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-44.1	178.5	0	0	0	0	0	112.1	L739 S786 W787 V792 W793 Y794 M841	L739-A790 HydrophobicContact CB-CB 3.76Å; L739-A790 HydrophobicContact CD1-CB 4.48Å; S786-A790 VanDerWaalsContact O-CB 3.26Å; S786-A790 WeakPolarHBondContact O-CB 3.36Å; S786-A790 PolarHBondContact O-N 2.92Å; W787-A790 PolarHBondContact O-N 2.97Å; A790-V792 VanDerWaalsContact C-N 3.31Å; A790-V792 PolarHBondContact O-N 3.28Å; A790-W793 PolarHBondContact O-N 3.38Å; A790-Y794 HydrophobicContact CB-CE2 4.49Å; A790-Y794 VanDerWaalsContact O-CD2 3.28Å; A790-Y794 WeakPolarHBondContact O-CD2 3.3Å; A790-Y794 PolarHBondContact O-N 3.02Å; A790-M841 HydrophobicContact CB-CE 3.96Å
791	V	93.2	Very high	85.8	Confident	6 Å²	6	45 Å²	45	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-36	178	169.9	0	0	0	0	111.8	W787 E789 K795 M838 M841 Y842 L849	W787-V791 WeakPolarHBondContact O-CB 3.35Å; W787-V791 VanDerWaalsContact O-CG2 3.28Å; W787-V791 WeakPolarHBondContact O-CG2 3.44Å; W787-V791 PolarHBondContact O-N 2.88Å; E789-V791 VanDerWaalsContact C-N 3.33Å; E789-V791 PolarHBondContact O-N 2.93Å; V791-K795 VanDerWaalsContact O-CB 3.26Å; V791-K795 WeakPolarHBondContact O-CB 3.31Å; V791-K795 PolarHBondContact O-N 3.01Å; V791-M838 HydrophobicContact CG1-CE 3.93Å; V791-M841 HydrophobicContact CG2-CB 4.44Å; V791-M841 HydrophobicContact CG2-CE 3.66Å; V791-M841 HydrophobicContact CG2-SD 3.85Å; V791-Y842 HydrophobicContact CG1-CE2 3.69Å; V791-Y842 WeakPolarHBondContact CG1-OH 3.47Å; V791-L849 HydrophobicContact CB-CD1 4.42Å; V791-L849 HydrophobicContact CG2-CD1 4.13Å; V791-L849 HydrophobicContact CG2-CD2 3.96Å
792	V	94	Very high	86.6	Confident	72 Å²	72	43.5 Å²	43.5	44%	0.436	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-45.2	174.8	170.3	0	0	0	0	110.7	S788 E789 A790 K795 R796	S788-V792 WeakPolarHBondContact O-CG2 3.38Å; S788-V792 PolarHBondContact O-N 3.26Å; E789-V792 WeakPolarHBondContact O-CB 3.3Å; E789-V792 PolarHBondContact O-N 2.79Å; E789-V792 VanDerWaalsContact O-N 3.14Å; A790-V792 VanDerWaalsContact C-N 3.31Å; A790-V792 PolarHBondContact O-N 3.28Å; V792-K795 PolarHBondContact O-N 3.23Å; V792-R796 WeakPolarHBondContact O-CG 3.44Å; V792-R796 PolarHBondContact O-N 3.37Å
793	W	93	Very high	86.5	Confident	13 Å²	13	44.5 Å²	44.5	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-43.8	178.5	-73.1	116.7	0	0	0	113.1	W721 A724 E725 M732 L735 A736 E789 A790 K795 R796 A797	W721-W793 AromaticContact NE1-CZ2 3.86Å; A724-W793 HydrophobicContact CB-CE3 4.06Å; A724-W793 HydrophobicContact CB-CH2 3.82Å; A724-W793 HydrophobicContact CB-CZ2 4.46Å; A724-W793 HydrophobicContact CB-CZ3 3.62Å; A724-W793 WeakPolarHBondContact O-CZ3 3.43Å; E725-W793 HydrophobicContact CG-CH2 3.78Å; E725-W793 HydrophobicContact CG-CZ2 4.35Å; M732-W793 HydrophobicContact CB-CE3 4.27Å; M732-W793 HydrophobicContact CG-CE3 3.83Å; M732-W793 HydrophobicContact CG-CZ3 4.05Å; L735-W793 HydrophobicContact CD2-CD2 3.79Å; L735-W793 VanDerWaalsContact CD2-CE2 3.41Å; L735-W793 HydrophobicContact CD2-CG 4.01Å; L735-W793 HydrophobicContact CD2-CH2 4.47Å; L735-W793 HydrophobicContact CD2-CZ2 3.8Å; A736-W793 HydrophobicContact CB-CB 3.82Å; E789-W793 PolarHBondContact O-N 2.95Å; E789-W793 VanDerWaalsContact O-N 3.13Å; A790-W793 PolarHBondContact O-N 3.38Å; W793-K795 VanDerWaalsContact C-N 3.3Å; W793-K795 PolarHBondContact O-N 2.9Å; W793-R796 VanDerWaalsContact CH2-NH1 3.33Å; W793-R796 PolarHBondContact O-N 3.1Å; W793-A797 WeakPolarHBondContact O-CB 3.04Å; W793-A797 PolarHBondContact O-N 3.21Å
794	Y	92.9	Very high	85.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-43.4	173.2	-78	-47.6	0	0	0	111.8	A736 R737 A790 A797 V798 I834 R837 M838 M841	A736-Y794 HydrophobicContact CB-CD1 3.42Å; A736-Y794 VanDerWaalsContact CB-CD1 3.42Å; A736-Y794 HydrophobicContact CB-CD2 3.78Å; A736-Y794 HydrophobicContact CB-CE1 3.39Å; A736-Y794 HydrophobicContact CB-CE2 3.75Å; A736-Y794 HydrophobicContact CB-CG 3.62Å; R737-Y794 WeakPolarHBondContact CA-OH 3.48Å; R737-Y794 HydrophobicContact CG-CE1 4.35Å; R737-Y794 WeakPolarHBondContact CG-OH 3.41Å; R737-Y794 PolarHBondContact N-OH 3.31Å; A790-Y794 HydrophobicContact CB-CE2 4.49Å; A790-Y794 VanDerWaalsContact O-CD2 3.28Å; A790-Y794 WeakPolarHBondContact O-CD2 3.3Å; A790-Y794 PolarHBondContact O-N 3.02Å; Y794-A797 WeakPolarHBondContact O-CB 3.35Å; Y794-A797 PolarHBondContact O-N 3.14Å; Y794-V798 WeakPolarHBondContact O-CG2 3.48Å; Y794-V798 PolarHBondContact O-N 3.29Å; Y794-I834 HydrophobicContact CD1-CG2 3.55Å; Y794-I834 HydrophobicContact CE1-CG2 4.42Å; Y794-I834 HydrophobicContact CG-CG2 3.82Å; Y794-R837 HydrophobicContact CE2-CG 4.46Å; Y794-M838 HydrophobicContact CD2-CG 4.17Å; Y794-M838 HydrophobicContact CG-CG 4.26Å; Y794-M841 HydrophobicContact CD2-SD 4.42Å; Y794-M841 HydrophobicContact CE2-SD 4.23Å
795	K	93.9	Very high	84.2	Confident	118 Å²	118	46.4 Å²	46.4	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-47.8	176.2	-174.8	178.3	177.4	-178.8	0	111.7	V791 V792 W793 A797 V798 D799 M838	V791-K795 VanDerWaalsContact O-CB 3.26Å; V791-K795 WeakPolarHBondContact O-CB 3.31Å; V791-K795 PolarHBondContact O-N 3.01Å; V792-K795 PolarHBondContact O-N 3.23Å; W793-K795 VanDerWaalsContact C-N 3.3Å; W793-K795 PolarHBondContact O-N 2.9Å; K795-A797 VanDerWaalsContact C-N 3.27Å; K795-A797 PolarHBondContact O-N 3.4Å; K795-V798 PolarHBondContact O-N 2.64Å; K795-V798 VanDerWaalsContact O-N 3.1Å; K795-D799 VanDerWaalsContact O-CG 3.3Å; K795-D799 PolarHBondContact O-N 2.99Å; K795-M838 HydrophobicContact CB-CE 3.91Å
796	R	92.9	Very high	82	Confident	117 Å²	117	48.5 Å²	48.5	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-40.9	175	-74.1	178.6	177.8	-179.5	-1.8	112.1	M732 V792 W793 V798 D799 S800	M732-R796 HydrophobicContact SD-CB 3.87Å; V792-R796 WeakPolarHBondContact O-CG 3.44Å; V792-R796 PolarHBondContact O-N 3.37Å; W793-R796 VanDerWaalsContact CH2-NH1 3.33Å; W793-R796 PolarHBondContact O-N 3.1Å; R796-V798 VanDerWaalsContact C-N 3.33Å; R796-V798 PolarHBondContact O-N 3.37Å; R796-D799 PolarHBondContact O-N 3.26Å; R796-S800 VanDerWaalsContact O-CB 3.3Å; R796-S800 WeakPolarHBondContact O-CB 3.17Å; R796-S800 PolarHBondContact O-N 2.94Å
797	A	90.3	Very high	79.6	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-33.8	177.1	0	0	0	0	0	113.1	R729 M732 I733 W793 Y794 K795 A801	R729-A797 HydrophobicContact CG-CB 4.2Å; R729-A797 PolarHBondContact NE-O 2.97Å; M732-A797 HydrophobicContact CB-CB 3.98Å; M732-A797 HydrophobicContact SD-CB 4.35Å; I733-A797 HydrophobicContact CD1-CB 4.47Å; I733-A797 HydrophobicContact CG1-CB 3.79Å; W793-A797 WeakPolarHBondContact O-CB 3.04Å; W793-A797 PolarHBondContact O-N 3.21Å; Y794-A797 WeakPolarHBondContact O-CB 3.35Å; Y794-A797 PolarHBondContact O-N 3.14Å; K795-A797 VanDerWaalsContact C-N 3.27Å; K795-A797 PolarHBondContact O-N 3.4Å; A797-A801 PolarHBondContact O-N 2.98Å
798	V	90.5	Very high	76.6	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-47.2	173.8	171.2	0	0	0	0	111.1	Y794 K795 R796 S800 A801 M802 V831 I834 L835	Y794-V798 WeakPolarHBondContact O-CG2 3.48Å; Y794-V798 PolarHBondContact O-N 3.29Å; K795-V798 PolarHBondContact O-N 2.64Å; K795-V798 VanDerWaalsContact O-N 3.1Å; R796-V798 VanDerWaalsContact C-N 3.33Å; R796-V798 PolarHBondContact O-N 3.37Å; V798-S800 VanDerWaalsContact C-N 3.3Å; V798-S800 PolarHBondContact O-N 2.73Å; V798-A801 WeakPolarHBondContact O-CB 3.14Å; V798-A801 PolarHBondContact O-N 3.38Å; V798-A801 VanDerWaalsContact O-N 3.15Å; V798-M802 HydrophobicContact CG1-CE 3.82Å; V798-M802 HydrophobicContact CG1-SD 4.28Å; V798-M802 PolarHBondContact O-N 2.62Å; V798-V831 HydrophobicContact CG1-CG1 3.92Å; V798-V831 HydrophobicContact CG2-CG1 4.27Å; V798-I834 HydrophobicContact CG2-CB 4.06Å; V798-I834 HydrophobicContact CG2-CG2 3.69Å; V798-L835 HydrophobicContact CG1-CD2 4.24Å; V798-L835 HydrophobicContact CG2-CD2 4.32Å; V798-L835 HydrophobicContact CG2-CG 4.43Å
799	D	90.6	Very high	73.8	Confident	86 Å²	86	62.5 Å²	62.5	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-40.6	-179.9	-67.6	-21.1	0	0	0	111.1	K795 R796 A801 M802 G803	K795-D799 VanDerWaalsContact O-CG 3.3Å; K795-D799 PolarHBondContact O-N 2.99Å; R796-D799 PolarHBondContact O-N 3.26Å; D799-A801 PolarHBondContact O-N 3.4Å; D799-M802 PolarHBondContact O-N 2.84Å; D799-G803 PolarHBondContact O-N 2.96Å
800	S	85.6	Confident	70.8	Confident	59 Å²	59	63.3 Å²	63.3	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-59.4	-42.5	174.7	-179.5	0	0	0	0	112.3	R796 V798	R796-S800 VanDerWaalsContact O-CB 3.3Å; R796-S800 WeakPolarHBondContact O-CB 3.17Å; R796-S800 PolarHBondContact O-N 2.94Å; V798-S800 VanDerWaalsContact C-N 3.3Å; V798-S800 PolarHBondContact O-N 2.73Å
801	A	82.8	Confident	68	Low	28 Å²	28	68.7 Å²	68.7	23%	0.231	45%	0.447	C	S	.	.	H	α-helix	trans	-68.3	-37.1	177.5	0	0	0	0	0	113	A797 V798 D799 V831	A797-A801 PolarHBondContact O-N 2.98Å; V798-A801 WeakPolarHBondContact O-CB 3.14Å; V798-A801 PolarHBondContact O-N 3.38Å; V798-A801 VanDerWaalsContact O-N 3.15Å; D799-A801 PolarHBondContact O-N 3.4Å; A801-V831 HydrophobicContact CB-CG2 3.82Å
802	M	74.1	Confident	65.2	Low	71 Å²	71	73.7 Å²	73.7	35%	0.35	48%	0.477	S	S	.	.	H	α-helix	trans	-77.6	-31	-178.9	-66.5	-169.8	179.8	0	0	112.8	V798 D799 S804 S805 V831 I866	V798-M802 HydrophobicContact CG1-CE 3.82Å; V798-M802 HydrophobicContact CG1-SD 4.28Å; V798-M802 PolarHBondContact O-N 2.62Å; D799-M802 PolarHBondContact O-N 2.84Å; M802-S804 VanDerWaalsContact C-N 3.32Å; M802-S804 PolarHBondContact O-N 2.9Å; M802-S805 PolarHBondContact O-N 2.88Å; M802-S805 PolarHBondContact O-OG 2.96Å; M802-V831 HydrophobicContact CE-CG1 3.87Å; M802-I866 HydrophobicContact CE-CD1 3.54Å
803	G	62	Low	62.4	Low	45 Å²	45	75 Å²	75	46%	0.464	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-28	-178.4	0	0	0	0	0	115.3	D799 S805 T806	D799-G803 PolarHBondContact O-N 2.96Å; G803-S805 PolarHBondContact O-N 2.73Å; G803-T806 PolarHBondContact O-OG1 2.91Å
804	S	53	Low	59.6	Low	65 Å²	65	80.2 Å²	80.2	46%	0.455	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29	176.7	171.9	0	0	0	0	113	M802 T806 D813	M802-S804 VanDerWaalsContact C-N 3.32Å; M802-S804 PolarHBondContact O-N 2.9Å; S804-T806 PolarHBondContact O-N 3.13Å; S804-D813 PolarHBondContact OG-OD2 3.08Å
805	S	43.9	Very low	56.8	Low	99 Å²	99	80.3 Å²	80.3	69%	0.692	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-81.9	3.3	-169.9	65.7	0	0	0	0	116.6	M802 G803	M802-S805 PolarHBondContact O-N 2.88Å; M802-S805 PolarHBondContact O-OG 2.96Å; G803-S805 PolarHBondContact O-N 2.73Å
806	T	37.6	Very low	53.9	Low	123 Å²	123	79.6 Å²	79.6	76%	0.755	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-102.8	-2.9	-171.1	57.8	0	0	0	0	116.3	G803 S804	G803-T806 PolarHBondContact O-OG1 2.91Å; S804-T806 PolarHBondContact O-N 3.13Å
807	S	35.3	Very low	51.6	Low	94 Å²	94	76.1 Å²	76.1	66%	0.657	50%	0.5	S	S	*	.	S	Bend	trans	-89	112.3	164.6	50.6	0	0	0	0	110	D809	S807-D809 PolarHBondContact O-N 2.8Å
808	G	29.6	Very low	49.1	Very low	91 Å²	91	81.5 Å²	81.5	94%	0.938	55%	0.545	S	S	*	.			trans	-70	57.5	-170.7	0	0	0	0	0	116.8
809	D	32.6	Very low	46.9	Very low	148 Å²	148	85.9 Å²	85.9	79%	0.791	57%	0.565	S	S	*	*	S	Bend	trans	-123.5	126.5	164.5	-139.3	-5.2	0	0	0	109	S807 C811	S807-D809 PolarHBondContact O-N 2.8Å; D809-C811 PolarHBondContact O-N 3.3Å
810	G	28.6	Very low	44.2	Very low	86 Å²	86	84 Å²	84	89%	0.887	57%	0.565	S	S	*	*			trans	-73.4	55.4	-167.9	0	0	0	0	0	114.6
811	C	32.1	Very low	42.1	Very low	113 Å²	113	85.7 Å²	85.7	76%	0.764	57%	0.566	S	S	*	*			trans	-89.6	112.8	170.1	-161.3	0	0	0	0	108.5	D809 D813	D809-C811 PolarHBondContact O-N 3.3Å; C811-D813 PolarHBondContact O-N 3.45Å
812	T	33.2	Very low	39.7	Very low	111 Å²	111	92.4 Å²	92.4	68%	0.681	59%	0.587	S	S	*	*			trans	-57.6	108.2	158.7	43.7	0	0	0	0	107	E814	T812-E814 PolarHBondContact O-N 3.09Å
813	D	36.9	Very low	38.2	Very low	100 Å²	100	91.3 Å²	91.3	54%	0.535	58%	0.582	S	S	.	*			trans	-60.1	81	168	-162	11.8	0	0	0	107.4	S804 C811	S804-D813 PolarHBondContact OG-OD2 3.08Å; C811-D813 PolarHBondContact O-N 3.45Å
814	E	33.5	Very low	37.2	Very low	121 Å²	121	93 Å²	93	57%	0.565	59%	0.592	S	S	*	*			trans	-77.9	114.7	163.4	-62.6	-108.6	154	0	0	103.7	T812 L816	T812-E814 PolarHBondContact O-N 3.09Å; E814-L816 WeakPolarHBondContact O-CG 3.22Å; E814-L816 PolarHBondContact O-N 2.85Å
815	G	33.9	Very low	36.7	Very low	5 Å²	5	90.5 Å²	90.5	5%	0.052	58%	0.575	C	S	.	*			trans	-41.8	92.5	-173.5	0	0	0	0	0	114.1	Y822 D823 E826	G815-Y822 CarbonylContact O-C 3.51Å; G815-Y822 WeakPolarHBondContact O-CA 3.1Å; G815-D823 VanDerWaalsContact O-CB 3.29Å; G815-D823 WeakPolarHBondContact O-CB 3.37Å; G815-D823 PolarHBondContact O-N 3.04Å; G815-E826 WeakPolarHBondContact CA-OE2 3.49Å; G815-E826 PolarHBondContact N-OE2 2.94Å; G815-E826 VanDerWaalsContact N-OE2 3.13Å
816	L	32.8	Very low	36.6	Very low	102 Å²	102	89.2 Å²	89.2	53%	0.534	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-110.6	120.8	176.2	-71.1	165.7	0	0	0	106	E814 G820 H821	E814-L816 WeakPolarHBondContact O-CG 3.22Å; E814-L816 PolarHBondContact O-N 2.85Å; L816-G820 WeakPolarHBondContact CD2-O 3.22Å; L816-H821 VanDerWaalsContact CA-O 3.28Å; L816-H821 WeakPolarHBondContact CA-O 3.48Å
817	D	45.2	Very low	37.1	Very low	45 Å²	45	89.4 Å²	89.4	24%	0.241	56%	0.555	C	S	.	*			trans	-61	175.2	168.9	63.2	14.8	0	0	0	110.5	Q699 E819 G820 H821	Q699-D817 PolarHBondContact NE2-OD2 2.87Å; Q699-D817 VanDerWaalsContact NE2-OD2 3.09Å; D817-E819 PolarHBondContact O-N 2.93Å; D817-E819 PolarHBondContact OD1-N 3.39Å; D817-E819 VanDerWaalsContact OD1-N 3.14Å; D817-G820 PolarHBondContact O-N 3.3Å; D817-G820 PolarHBondContact OD1-N 3.44Å; D817-H821 PolarHBondContact N-O 3.33Å; D817-H821 WeakPolarHBondContact OD1-CB 3.29Å; D817-H821 IonicContact OD1-CG 3.59Å; D817-H821 PolarHBondContact OD1-N 3.01Å; D817-H821 IonicContact OD1-ND1 2.88Å; D817-H821 IonicContact OD2-ND1 3.59Å
818	A	38.3	Very low	38.2	Very low	113 Å²	113	85.4 Å²	85.4	93%	0.934	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-10.3	-179.4	0	0	0	0	0	114.2
819	E	43.1	Very low	40	Very low	99 Å²	99	81.8 Å²	81.8	46%	0.463	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	0.2	180	-58.8	-175.9	158.1	0	0	113.4	R615 D817 H821	R615-E819 IonicContact NH1-OE1 3.01Å; R615-E819 PolarHBondContact NH1-OE1 3.48Å; D817-E819 PolarHBondContact O-N 2.93Å; D817-E819 PolarHBondContact OD1-N 3.39Å; D817-E819 VanDerWaalsContact OD1-N 3.14Å; E819-H821 IonicContact OE2-CE1 3.34Å; E819-H821 IonicContact OE2-ND1 3.47Å
820	G	34.1	Very low	42.2	Very low	45 Å²	45	76.3 Å²	76.3	46%	0.464	46%	0.458	S	S	.	.	S	Bend	trans	79.4	25.8	180	0	0	0	0	0	113.5	L816 D817	L816-G820 WeakPolarHBondContact CD2-O 3.22Å; D817-G820 PolarHBondContact O-N 3.3Å; D817-G820 PolarHBondContact OD1-N 3.44Å
821	H	41.9	Very low	45	Very low	95 Å²	95	73.4 Å²	73.4	44%	0.44	42%	0.422	S	S	.	.			trans	-101.2	141.1	174.4	-56.7	121.9	0	0	0	111.8	L816 D817 E819 D823	L816-H821 VanDerWaalsContact CA-O 3.28Å; L816-H821 WeakPolarHBondContact CA-O 3.48Å; D817-H821 PolarHBondContact N-O 3.33Å; D817-H821 WeakPolarHBondContact OD1-CB 3.29Å; D817-H821 IonicContact OD1-CG 3.59Å; D817-H821 PolarHBondContact OD1-N 3.01Å; D817-H821 IonicContact OD1-ND1 2.88Å; D817-H821 IonicContact OD2-ND1 3.59Å; E819-H821 IonicContact OE2-CE1 3.34Å; E819-H821 IonicContact OE2-ND1 3.47Å; H821-D823 PolarHBondContact O-N 3.25Å
822	Y	31	Very low	47.5	Very low	169 Å²	169	69 Å²	69	66%	0.663	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-57	109	175	-165.7	-85.9	0	0	0	109.7	G815 A824	G815-Y822 CarbonylContact O-C 3.51Å; G815-Y822 WeakPolarHBondContact O-CA 3.1Å; Y822-A824 PolarHBondContact O-N 2.8Å; Y822-A824 VanDerWaalsContact O-N 3.1Å
823	D	43.1	Very low	50	Low	48 Å²	48	68.8 Å²	68.8	26%	0.257	38%	0.377	S	S	.	.			trans	-67.5	97.9	175.2	171.9	12.3	0	0	0	108.9	G815 H821 A825 E826	G815-D823 VanDerWaalsContact O-CB 3.29Å; G815-D823 WeakPolarHBondContact O-CB 3.37Å; G815-D823 PolarHBondContact O-N 3.04Å; H821-D823 PolarHBondContact O-N 3.25Å; D823-A825 PolarHBondContact O-N 2.86Å; D823-A825 VanDerWaalsContact OD1-C 3.31Å; D823-A825 WeakPolarHBondContact OD1-CA 3.48Å; D823-A825 WeakPolarHBondContact OD1-CB 3.35Å; D823-A825 PolarHBondContact OD1-N 2.88Å; D823-E826 HydrophobicContact CB-CG 4.2Å; D823-E826 VanDerWaalsContact CG-N 3.32Å; D823-E826 PolarHBondContact O-N 2.77Å; D823-E826 PolarHBondContact OD1-N 2.93Å; D823-E826 WeakPolarHBondContact OD2-CG 3.3Å; D823-E826 PolarHBondContact OD2-N 2.81Å
824	A	40.7	Very low	52.4	Low	81 Å²	81	64 Å²	64	67%	0.669	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	1.4	170.7	0	0	0	0	0	113.7	Y822	Y822-A824 PolarHBondContact O-N 2.8Å; Y822-A824 VanDerWaalsContact O-N 3.1Å
825	A	43.6	Very low	55.2	Low	12 Å²	12	58.4 Å²	58.4	10%	0.099	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-3.4	-176.7	0	0	0	0	0	114.3	D823 D827 L828	D823-A825 PolarHBondContact O-N 2.86Å; D823-A825 VanDerWaalsContact OD1-C 3.31Å; D823-A825 WeakPolarHBondContact OD1-CA 3.48Å; D823-A825 WeakPolarHBondContact OD1-CB 3.35Å; D823-A825 PolarHBondContact OD1-N 2.88Å; A825-D827 PolarHBondContact O-N 3.35Å; A825-D827 VanDerWaalsContact O-N 3.13Å; A825-L828 HydrophobicContact CB-CD1 3.87Å; A825-L828 HydrophobicContact CB-CG 4.22Å; A825-L828 VanDerWaalsContact O-CB 3.24Å; A825-L828 WeakPolarHBondContact O-CB 3.4Å; A825-L828 WeakPolarHBondContact O-CG 3.34Å; A825-L828 PolarHBondContact O-N 3.12Å
826	E	42.4	Very low	57.8	Low	72 Å²	72	58.3 Å²	58.3	34%	0.336	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20.5	159.4	-73.4	-150.4	127.1	0	0	111.2	G815 D823 L828	G815-E826 WeakPolarHBondContact CA-OE2 3.49Å; G815-E826 PolarHBondContact N-OE2 2.94Å; G815-E826 VanDerWaalsContact N-OE2 3.13Å; D823-E826 HydrophobicContact CB-CG 4.2Å; D823-E826 VanDerWaalsContact CG-N 3.32Å; D823-E826 PolarHBondContact O-N 2.77Å; D823-E826 PolarHBondContact OD1-N 2.93Å; D823-E826 WeakPolarHBondContact OD2-CG 3.3Å; D823-E826 PolarHBondContact OD2-N 2.81Å; E826-L828 VanDerWaalsContact C-N 3.27Å; E826-L828 PolarHBondContact O-N 3.11Å
827	D	48.1	Very low	60.4	Low	127 Å²	127	54.6 Å²	54.6	68%	0.679	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-74.3	-4.3	171.3	-77.6	-28.8	0	0	0	114.9	A825 L829	A825-D827 PolarHBondContact O-N 3.35Å; A825-D827 VanDerWaalsContact O-N 3.13Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 2.65Å
828	L	58.1	Low	62.6	Low	11 Å²	11	52.8 Å²	52.8	6%	0.058	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.8	-44.7	-175.8	-93.9	165.8	0	0	0	112.4	R730 L734 R737 M763 A825 E826	R730-L828 HydrophobicContact CB-CD1 4.36Å; R730-L828 HydrophobicContact CG-CD1 3.59Å; L734-L828 HydrophobicContact CD2-CD2 4.28Å; R737-L828 PolarHBondContact NH1-O 2.8Å; M763-L828 HydrophobicContact CB-CD2 4.13Å; M763-L828 HydrophobicContact CE-CD2 3.15Å; M763-L828 HydrophobicContact CE-CG 4.08Å; M763-L828 HydrophobicContact CG-CD2 3.71Å; M763-L828 HydrophobicContact SD-CD2 3.98Å; A825-L828 HydrophobicContact CB-CD1 3.87Å; A825-L828 HydrophobicContact CB-CG 4.22Å; A825-L828 VanDerWaalsContact O-CB 3.24Å; A825-L828 WeakPolarHBondContact O-CB 3.4Å; A825-L828 WeakPolarHBondContact O-CG 3.34Å; A825-L828 PolarHBondContact O-N 3.12Å; E826-L828 VanDerWaalsContact C-N 3.27Å; E826-L828 PolarHBondContact O-N 3.11Å
829	L	67.1	Low	65.2	Low	15 Å²	15	47.4 Å²	47.4	8%	0.079	25%	0.248	C	C	.	.			trans	-171.2	109.9	174.5	-90.6	158.1	0	0	0	108.3	I733 R737 D827 R833 I834	I733-L829 HydrophobicContact CG2-CD1 3.97Å; R737-L829 HydrophobicContact CG-CD1 4.36Å; R737-L829 VanDerWaalsContact NE-CD1 3.34Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 2.65Å; L829-R833 HydrophobicContact CD2-CB 3.41Å; L829-R833 VanDerWaalsContact CD2-CB 3.41Å; L829-R833 HydrophobicContact CD2-CG 4.32Å; L829-I834 HydrophobicContact CB-CD1 4.27Å; L829-I834 HydrophobicContact CB-CG1 3.75Å; L829-I834 HydrophobicContact CD1-CG1 4.37Å
830	P	79.3	Confident	67.4	Low	33 Å²	33	45 Å²	45	21%	0.214	24%	0.237	C	C	.	.			trans	-54.5	150.6	170	-28.6	36.2	0	0	0	111.9	Y832 R833 I834	P830-Y832 HydrophobicContact CB-CD1 3.69Å; P830-Y832 HydrophobicContact CB-CD2 4.39Å; P830-Y832 HydrophobicContact CB-CE1 3.23Å; P830-Y832 HydrophobicContact CB-CE2 4Å; P830-Y832 HydrophobicContact CB-CG 4.26Å; P830-Y832 VanDerWaalsContact CB-CZ 3.4Å; P830-Y832 HydrophobicContact CG-CE1 3.98Å; P830-Y832 HydrophobicContact CG-CE2 4.37Å; P830-Y832 PolarHBondContact O-N 2.74Å; P830-Y832 VanDerWaalsContact O-N 3.07Å; P830-R833 WeakPolarHBondContact O-CA 3.42Å; P830-R833 WeakPolarHBondContact O-CB 3.35Å; P830-R833 PolarHBondContact O-N 2.76Å; P830-I834 PolarHBondContact O-N 3.01Å
831	V	86.8	Confident	70.1	Confident	24 Å²	24	42.9 Å²	42.9	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-48.9	-42.7	-176.1	172.2	0	0	0	0	112.4	V798 A801 M802 R833 I834 L835 I866	V798-V831 HydrophobicContact CG1-CG1 3.92Å; V798-V831 HydrophobicContact CG2-CG1 4.27Å; A801-V831 HydrophobicContact CB-CG2 3.82Å; M802-V831 HydrophobicContact CE-CG1 3.87Å; V831-R833 VanDerWaalsContact C-N 3.27Å; V831-R833 PolarHBondContact O-N 3.34Å; V831-I834 PolarHBondContact O-N 3.47Å; V831-I834 VanDerWaalsContact O-N 3.17Å; V831-L835 HydrophobicContact CG1-CD1 3.99Å; V831-L835 HydrophobicContact CG1-CG 4.34Å; V831-L835 WeakPolarHBondContact O-CG 3.34Å; V831-L835 PolarHBondContact O-N 2.88Å; V831-I866 HydrophobicContact CG1-CD1 3.92Å
832	Y	84.1	Confident	72.5	Confident	22 Å²	22	40.4 Å²	40.4	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-31.4	178.1	58.5	-101.8	0	0	0	113.7	P830 A836 A863 I866 A867 A870 L875 Y879	P830-Y832 HydrophobicContact CB-CD1 3.69Å; P830-Y832 HydrophobicContact CB-CD2 4.39Å; P830-Y832 HydrophobicContact CB-CE1 3.23Å; P830-Y832 HydrophobicContact CB-CE2 4Å; P830-Y832 HydrophobicContact CB-CG 4.26Å; P830-Y832 VanDerWaalsContact CB-CZ 3.4Å; P830-Y832 HydrophobicContact CG-CE1 3.98Å; P830-Y832 HydrophobicContact CG-CE2 4.37Å; P830-Y832 PolarHBondContact O-N 2.74Å; P830-Y832 VanDerWaalsContact O-N 3.07Å; Y832-A836 WeakPolarHBondContact O-CB 3.48Å; Y832-A836 PolarHBondContact O-N 2.81Å; Y832-A836 VanDerWaalsContact O-N 3.07Å; Y832-A863 WeakPolarHBondContact CB-O 3.41Å; Y832-A863 WeakPolarHBondContact O-CB 3.42Å; Y832-I866 HydrophobicContact CD1-CG2 4.18Å; Y832-A867 HydrophobicContact CD1-CB 4.4Å; Y832-A867 HydrophobicContact CD2-CB 4.16Å; Y832-A867 HydrophobicContact CG-CB 3.96Å; Y832-A870 HydrophobicContact CD1-CB 4.33Å; Y832-A870 HydrophobicContact CE1-CB 3.94Å; Y832-L875 HydrophobicContact CD2-CD2 3.47Å; Y832-L875 VanDerWaalsContact CD2-CD2 3.47Å; Y832-L875 HydrophobicContact CE2-CD2 3.27Å; Y832-Y879 HydrophobicContact CD2-CE2 4.1Å
833	R	86.3	Confident	75.4	Confident	105 Å²	105	33.6 Å²	33.6	40%	0.396	18%	0.179	S	C	.	.	H	α-helix	trans	-75.7	-36.3	176.3	-64.2	-162.2	174.8	174.8	-1.6	111.9	L829 P830 V831 A836 R837	L829-R833 HydrophobicContact CD2-CB 3.41Å; L829-R833 VanDerWaalsContact CD2-CB 3.41Å; L829-R833 HydrophobicContact CD2-CG 4.32Å; P830-R833 WeakPolarHBondContact O-CA 3.42Å; P830-R833 WeakPolarHBondContact O-CB 3.35Å; P830-R833 PolarHBondContact O-N 2.76Å; V831-R833 VanDerWaalsContact C-N 3.27Å; V831-R833 PolarHBondContact O-N 3.34Å; R833-A836 PolarHBondContact O-N 3.11Å; R833-R837 PolarHBondContact O-N 3.35Å
834	I	87.8	Confident	77.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-48.4	175.3	-59.2	177.2	0	0	0	109.6	I733 Y794 V798 L829 P830 V831 A836 R837 M838	I733-I834 HydrophobicContact CD1-CD1 3.85Å; I733-I834 HydrophobicContact CG1-CD1 3.97Å; Y794-I834 HydrophobicContact CD1-CG2 3.55Å; Y794-I834 HydrophobicContact CE1-CG2 4.42Å; Y794-I834 HydrophobicContact CG-CG2 3.82Å; V798-I834 HydrophobicContact CG2-CB 4.06Å; V798-I834 HydrophobicContact CG2-CG2 3.69Å; L829-I834 HydrophobicContact CB-CD1 4.27Å; L829-I834 HydrophobicContact CB-CG1 3.75Å; L829-I834 HydrophobicContact CD1-CG1 4.37Å; P830-I834 PolarHBondContact O-N 3.01Å; V831-I834 PolarHBondContact O-N 3.47Å; V831-I834 VanDerWaalsContact O-N 3.17Å; I834-A836 PolarHBondContact O-N 3.11Å; I834-R837 PolarHBondContact O-N 3.12Å; I834-M838 HydrophobicContact CG2-SD 4.11Å; I834-M838 WeakPolarHBondContact O-CG 3.13Å; I834-M838 PolarHBondContact O-N 2.84Å
835	L	90.9	Very high	79.7	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-45.9	176.6	-70.9	172.8	0	0	0	112.2	V798 V831 R837 M838 A839 L859 Q862 A863 I866	V798-L835 HydrophobicContact CG1-CD2 4.24Å; V798-L835 HydrophobicContact CG2-CD2 4.32Å; V798-L835 HydrophobicContact CG2-CG 4.43Å; V831-L835 HydrophobicContact CG1-CD1 3.99Å; V831-L835 HydrophobicContact CG1-CG 4.34Å; V831-L835 WeakPolarHBondContact O-CG 3.34Å; V831-L835 PolarHBondContact O-N 2.88Å; L835-R837 VanDerWaalsContact C-N 3.32Å; L835-R837 PolarHBondContact O-N 2.95Å; L835-M838 PolarHBondContact O-N 3.29Å; L835-A839 WeakPolarHBondContact O-CB 3.48Å; L835-A839 PolarHBondContact O-N 2.87Å; L835-L859 HydrophobicContact CD2-CD2 3.87Å; L835-Q862 HydrophobicContact CD1-CB 4.31Å; L835-Q862 HydrophobicContact CD1-CG 3.86Å; L835-A863 HydrophobicContact CB-CB 3.86Å; L835-I866 HydrophobicContact CD1-CD1 3.62Å
836	A	88.3	Confident	81.8	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-39.2	176.4	0	0	0	0	0	112.4	Y832 R833 I834 A839 E840 F860 A863 Y879	Y832-A836 WeakPolarHBondContact O-CB 3.48Å; Y832-A836 PolarHBondContact O-N 2.81Å; Y832-A836 VanDerWaalsContact O-N 3.07Å; R833-A836 PolarHBondContact O-N 3.11Å; I834-A836 PolarHBondContact O-N 3.11Å; A836-A839 WeakPolarHBondContact O-CB 3.33Å; A836-A839 PolarHBondContact O-N 3.46Å; A836-E840 WeakPolarHBondContact O-CG 3.37Å; A836-E840 PolarHBondContact O-N 2.68Å; A836-F860 HydrophobicContact CB-CD1 4.34Å; A836-F860 HydrophobicContact CB-CE1 4.21Å; A836-F860 WeakPolarHBondContact O-CE1 3.22Å; A836-A863 HydrophobicContact CB-CB 4.17Å; A836-Y879 HydrophobicContact CB-CD1 3.93Å; A836-Y879 HydrophobicContact CB-CE1 3.29Å; A836-Y879 HydrophobicContact CB-CE2 4.01Å; A836-Y879 WeakPolarHBondContact CB-OH 3.44Å
837	R	88.6	Confident	83.9	Confident	24 Å²	24	30.4 Å²	30.4	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-43	176.5	-177.1	55.7	179.3	169.5	3.3	112	D740 F754 Y794 R833 I834 L835 A839 E840 M841	D740-R837 VanDerWaalsContact CG-NH2 3.35Å; D740-R837 IonicContact OD1-CZ 3.85Å; D740-R837 IonicContact OD1-NE 2.73Å; D740-R837 IonicContact OD1-NH2 3.59Å; D740-R837 PolarHBondContact OD1-NH2 2.56Å; D740-R837 IonicContact OD2-CZ 2.84Å; D740-R837 IonicContact OD2-NE 3.2Å; D740-R837 PolarHBondContact OD2-NE 3.37Å; D740-R837 IonicContact OD2-NH2 3.41Å; D740-R837 PolarHBondContact OD2-NH2 3.17Å; F754-R837 VanDerWaalsContact CD1-NH1 3.32Å; F754-R837 VanDerWaalsContact CD1-NH2 3.33Å; Y794-R837 HydrophobicContact CE2-CG 4.46Å; R833-R837 PolarHBondContact O-N 3.35Å; I834-R837 PolarHBondContact O-N 3.12Å; L835-R837 VanDerWaalsContact C-N 3.32Å; L835-R837 PolarHBondContact O-N 2.95Å; R837-A839 VanDerWaalsContact C-N 3.27Å; R837-A839 PolarHBondContact O-N 2.69Å; R837-E840 WeakPolarHBondContact CD-OE2 3.44Å; R837-E840 IonicContact CZ-OE2 3.28Å; R837-E840 IonicContact NH1-OE2 3.92Å; R837-E840 PolarHBondContact NH1-OE2 2.85Å; R837-E840 WeakPolarHBondContact O-CB 3.24Å; R837-E840 PolarHBondContact O-N 2.66Å; R837-M841 HydrophobicContact CG-SD 4.49Å; R837-M841 VanDerWaalsContact O-CG 3.32Å; R837-M841 WeakPolarHBondContact O-CG 3.29Å; R837-M841 PolarHBondContact O-N 2.66Å
838	M	91.7	Very high	85.7	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-41.2	173.2	-68.4	167.3	65.7	0	0	111.2	V791 Y794 K795 I834 L835 M841 Y842 L859	V791-M838 HydrophobicContact CG1-CE 3.93Å; Y794-M838 HydrophobicContact CD2-CG 4.17Å; Y794-M838 HydrophobicContact CG-CG 4.26Å; K795-M838 HydrophobicContact CB-CE 3.91Å; I834-M838 HydrophobicContact CG2-SD 4.11Å; I834-M838 WeakPolarHBondContact O-CG 3.13Å; I834-M838 PolarHBondContact O-N 2.84Å; L835-M838 PolarHBondContact O-N 3.29Å; M838-M841 WeakPolarHBondContact O-CB 3.05Å; M838-M841 PolarHBondContact O-N 3.35Å; M838-Y842 VanDerWaalsContact O-CD2 3.23Å; M838-Y842 WeakPolarHBondContact O-CD2 3.39Å; M838-Y842 PolarHBondContact O-N 2.83Å; M838-L859 HydrophobicContact CB-CD1 4.07Å
839	A	92	Very high	87.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.6	-45.1	176.4	0	0	0	0	0	112.1	L835 A836 R837 M841 Y842 S843 A856 L859 F860	L835-A839 WeakPolarHBondContact O-CB 3.48Å; L835-A839 PolarHBondContact O-N 2.87Å; A836-A839 WeakPolarHBondContact O-CB 3.33Å; A836-A839 PolarHBondContact O-N 3.46Å; R837-A839 VanDerWaalsContact C-N 3.27Å; R837-A839 PolarHBondContact O-N 2.69Å; A839-M841 VanDerWaalsContact C-N 3.31Å; A839-M841 PolarHBondContact O-N 2.9Å; A839-Y842 PolarHBondContact O-N 3.42Å; A839-S843 PolarHBondContact O-N 2.85Å; A839-S843 PolarHBondContact O-OG 3.32Å; A839-A856 WeakPolarHBondContact CB-O 3.49Å; A839-A856 WeakPolarHBondContact O-CB 3.49Å; A839-L859 HydrophobicContact CB-CB 3.67Å; A839-F860 HydrophobicContact CB-CB 4.44Å; A839-F860 HydrophobicContact CB-CD1 3.64Å; A839-F860 HydrophobicContact CB-CD2 3.54Å; A839-F860 HydrophobicContact CB-CE1 3.63Å; A839-F860 HydrophobicContact CB-CE2 3.53Å; A839-F860 HydrophobicContact CB-CG 3.58Å; A839-F860 HydrophobicContact CB-CZ 3.57Å
840	E	89.7	Confident	88.4	Confident	47 Å²	47	34.4 Å²	34.4	22%	0.22	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-44	173.1	-71	177.2	171.8	0	0	111.8	T755 A836 R837 S843 V844 F860	T755-E840 PolarHBondContact OG1-OE1 2.83Å; A836-E840 WeakPolarHBondContact O-CG 3.37Å; A836-E840 PolarHBondContact O-N 2.68Å; R837-E840 WeakPolarHBondContact CD-OE2 3.44Å; R837-E840 IonicContact CZ-OE2 3.28Å; R837-E840 IonicContact NH1-OE2 3.92Å; R837-E840 PolarHBondContact NH1-OE2 2.85Å; R837-E840 WeakPolarHBondContact O-CB 3.24Å; R837-E840 PolarHBondContact O-N 2.66Å; E840-S843 PolarHBondContact O-N 3.39Å; E840-V844 WeakPolarHBondContact O-CG2 3.5Å; E840-V844 PolarHBondContact O-N 3.04Å; E840-F860 HydrophobicContact CG-CE1 4.23Å; E840-F860 HydrophobicContact CG-CZ 3.8Å
841	M	89.8	Confident	89.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-43.3	177.9	-63.7	168.6	77.1	0	0	111.8	W787 A790 V791 Y794 R837 M838 A839 V844 G845 L849	W787-M841 HydrophobicContact CB-CE 3.61Å; W787-M841 HydrophobicContact CD2-CE 3.93Å; W787-M841 HydrophobicContact CE3-CB 4.38Å; W787-M841 HydrophobicContact CG-CE 3.43Å; W787-M841 VanDerWaalsContact CG-CE 3.43Å; A790-M841 HydrophobicContact CB-CE 3.96Å; V791-M841 HydrophobicContact CG2-CB 4.44Å; V791-M841 HydrophobicContact CG2-CE 3.66Å; V791-M841 HydrophobicContact CG2-SD 3.85Å; Y794-M841 HydrophobicContact CD2-SD 4.42Å; Y794-M841 HydrophobicContact CE2-SD 4.23Å; R837-M841 HydrophobicContact CG-SD 4.49Å; R837-M841 VanDerWaalsContact O-CG 3.32Å; R837-M841 WeakPolarHBondContact O-CG 3.29Å; R837-M841 PolarHBondContact O-N 2.66Å; M838-M841 WeakPolarHBondContact O-CB 3.05Å; M838-M841 PolarHBondContact O-N 3.35Å; A839-M841 VanDerWaalsContact C-N 3.31Å; A839-M841 PolarHBondContact O-N 2.9Å; M841-V844 PolarHBondContact O-N 3.13Å; M841-G845 PolarHBondContact O-N 3.44Å; M841-L849 HydrophobicContact CB-CD2 3.73Å
842	Y	93.3	Very high	89.4	Confident	44 Å²	44	39.7 Å²	39.7	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-31.7	176.4	-81.5	-67.5	0	0	0	113.3	V791 M838 A839 V844 L849 Q851 N852 L855 L859	V791-Y842 HydrophobicContact CG1-CE2 3.69Å; V791-Y842 WeakPolarHBondContact CG1-OH 3.47Å; M838-Y842 VanDerWaalsContact O-CD2 3.23Å; M838-Y842 WeakPolarHBondContact O-CD2 3.39Å; M838-Y842 PolarHBondContact O-N 2.83Å; A839-Y842 PolarHBondContact O-N 3.42Å; Y842-V844 VanDerWaalsContact C-N 3.34Å; Y842-L849 HydrophobicContact CD1-CD1 4.13Å; Y842-L849 HydrophobicContact CD1-CD2 4.05Å; Y842-L849 HydrophobicContact CD1-CG 4.08Å; Y842-L849 HydrophobicContact CE1-CD1 3.56Å; Y842-L849 HydrophobicContact CE1-CD2 4.28Å; Y842-L849 HydrophobicContact CE1-CG 4.03Å; Y842-L849 HydrophobicContact CG-CD2 4.28Å; Y842-Q851 CarbonylContact O-C 3.44Å; Y842-Q851 WeakPolarHBondContact O-CA 3.44Å; Y842-N852 HydrophobicContact CD1-CB 4.15Å; Y842-N852 PolarHBondContact O-N 2.82Å; Y842-L855 HydrophobicContact CD1-CD2 3.96Å; Y842-L855 HydrophobicContact CD2-CD2 4.02Å; Y842-L855 HydrophobicContact CD2-CG 4.29Å; Y842-L855 HydrophobicContact CE1-CD2 3.6Å; Y842-L855 HydrophobicContact CE2-CD2 3.69Å; Y842-L855 HydrophobicContact CE2-CG 4.33Å; Y842-L855 HydrophobicContact CG-CD2 4.15Å; Y842-L855 HydrophobicContact CG-CG 4.47Å; Y842-L855 VanDerWaalsContact CZ-CD2 3.45Å; Y842-L859 HydrophobicContact CD2-CD1 3.56Å; Y842-L859 HydrophobicContact CE2-CD1 3.88Å
843	S	90.7	Very high	89.9	Confident	25 Å²	25	40 Å²	40	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-33.9	174.5	-71.7	0	0	0	0	112.7	A839 E840 Q851 F853 A856	A839-S843 PolarHBondContact O-N 2.85Å; A839-S843 PolarHBondContact O-OG 3.32Å; E840-S843 PolarHBondContact O-N 3.39Å; S843-Q851 WeakPolarHBondContact O-CG 3.19Å; S843-Q851 PolarHBondContact O-NE2 2.98Å; S843-F853 VanDerWaalsContact O-CE1 3.31Å; S843-F853 WeakPolarHBondContact O-CE1 3.26Å; S843-A856 WeakPolarHBondContact OG-CB 3.37Å
844	V	88.8	Confident	90.2	Very high	73 Å²	73	37.1 Å²	37.1	44%	0.442	21%	0.206	S	C	.	.	H	α-helix	trans	-88.5	-47.5	179.3	-177.6	0	0	0	0	111.4	F752 W787 E840 M841 Y842 Q851	F752-V844 HydrophobicContact CE1-CG1 4.13Å; W787-V844 HydrophobicContact CH2-CB 4.25Å; W787-V844 HydrophobicContact CH2-CG1 4.12Å; W787-V844 HydrophobicContact CZ3-CB 4.07Å; W787-V844 HydrophobicContact CZ3-CG1 4.13Å; E840-V844 WeakPolarHBondContact O-CG2 3.5Å; E840-V844 PolarHBondContact O-N 3.04Å; M841-V844 PolarHBondContact O-N 3.13Å; Y842-V844 VanDerWaalsContact C-N 3.34Å; V844-Q851 PolarHBondContact O-NE2 2.86Å; V844-Q851 VanDerWaalsContact O-NE2 3.14Å
845	G	87.2	Confident	90.5	Very high	11 Å²	11	39.7 Å²	39.7	11%	0.113	22%	0.22	C	C	.	.			trans	67.1	171.4	-168.6	0	0	0	0	0	113.6	W787 M841	W787-G845 VanDerWaalsContact CZ3-O 3.23Å; W787-G845 WeakPolarHBondContact CZ3-O 3.48Å; M841-G845 PolarHBondContact O-N 3.44Å
846	G	86.8	Confident	90.7	Very high	33 Å²	33	39.5 Å²	39.5	34%	0.34	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	115.4	170.2	-175.6	0	0	0	0	0	113	G848 L849	G846-G848 VanDerWaalsContact C-N 3.34Å; G846-G848 PolarHBondContact O-N 3.39Å; G846-L849 PolarHBondContact N-O 2.81Å; G846-L849 VanDerWaalsContact O-CB 3.3Å; G846-L849 WeakPolarHBondContact O-CB 3.43Å; G846-L849 PolarHBondContact O-N 3.26Å
847	F	86	Confident	91.1	Very high	29 Å²	29	39.4 Å²	39.4	13%	0.127	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.1	178.4	-48.4	-79.8	0	0	0	113.3	V743 L746 F752 P784 D785 S786 W787 S788 L849	V743-F847 HydrophobicContact CB-CD1 3.84Å; V743-F847 HydrophobicContact CB-CD2 3.96Å; V743-F847 HydrophobicContact CB-CE1 3.71Å; V743-F847 HydrophobicContact CB-CE2 3.83Å; V743-F847 HydrophobicContact CB-CG 3.95Å; V743-F847 HydrophobicContact CB-CZ 3.7Å; V743-F847 HydrophobicContact CG1-CB 3.97Å; V743-F847 HydrophobicContact CG1-CD1 3.78Å; V743-F847 HydrophobicContact CG1-CD2 3.87Å; V743-F847 HydrophobicContact CG1-CE1 4.2Å; V743-F847 HydrophobicContact CG1-CE2 4.28Å; V743-F847 HydrophobicContact CG1-CG 3.59Å; V743-F847 HydrophobicContact CG1-CZ 4.43Å; V743-F847 HydrophobicContact CG2-CD2 4.28Å; V743-F847 HydrophobicContact CG2-CE2 3.95Å; V743-F847 HydrophobicContact CG2-CZ 4.13Å; L746-F847 HydrophobicContact CB-CE1 4.26Å; L746-F847 HydrophobicContact CD1-CD1 4.08Å; L746-F847 HydrophobicContact CD1-CE1 4.31Å; F752-F847 AromaticContact CE2-CE2 3.91Å; F752-F847 HydrophobicContact CE2-CE2 3.91Å; F752-F847 HydrophobicContact CE2-CZ 4.05Å; F752-F847 HydrophobicContact CZ-CE2 4.22Å; P784-F847 CarbonylContact O-C 3.54Å; P784-F847 VanDerWaalsContact O-C 3.23Å; P784-F847 VanDerWaalsContact O-CA 3.29Å; P784-F847 WeakPolarHBondContact O-CA 3.5Å; D785-F847 CarbonylContact C-O 3.45Å; D785-F847 VanDerWaalsContact CA-O 3.31Å; D785-F847 WeakPolarHBondContact CA-O 3.48Å; S786-F847 PolarHBondContact N-O 3.32Å; W787-F847 HydrophobicContact CB-CB 3.97Å; W787-F847 HydrophobicContact CD2-CB 4.33Å; W787-F847 AromaticContact CD2-CD2 3.73Å; W787-F847 HydrophobicContact CD2-CD2 3.73Å; W787-F847 HydrophobicContact CD2-CG 4.49Å; W787-F847 AromaticContact CE2-CD2 3.78Å; W787-F847 HydrophobicContact CE3-CD2 4.02Å; W787-F847 HydrophobicContact CG-CB 3.93Å; W787-F847 HydrophobicContact CG-CD2 4.14Å; W787-F847 HydrophobicContact CG-CG 4.46Å; W787-F847 HydrophobicContact CH2-CD2 4.36Å; W787-F847 HydrophobicContact CH2-CE2 4.44Å; W787-F847 HydrophobicContact CZ2-CD2 4.1Å; W787-F847 HydrophobicContact CZ2-CE2 4.19Å; W787-F847 HydrophobicContact CZ3-CD2 4.34Å; W787-F847 PolarHBondContact N-O 2.96Å; S788-F847 PolarHBondContact N-O 2.99Å; F847-L849 VanDerWaalsContact C-N 3.27Å; F847-L849 PolarHBondContact O-N 2.73Å
848	G	86	Confident	91.4	Very high	42 Å²	42	42.2 Å²	42.2	43%	0.433	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-16.2	-176.5	0	0	0	0	0	115.3	D785 G846	D785-G848 WeakPolarHBondContact OD1-CA 3.49Å; G846-G848 VanDerWaalsContact C-N 3.34Å; G846-G848 PolarHBondContact O-N 3.39Å
849	L	91.2	Very high	91.6	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-89.7	125.3	-179.2	-164.5	71.1	0	0	0	111.5	W787 V791 M841 Y842 G846 F847	W787-L849 HydrophobicContact CB-CB 3.93Å; W787-L849 HydrophobicContact CB-CD2 4.47Å; W787-L849 HydrophobicContact CE3-CD2 4.47Å; V791-L849 HydrophobicContact CB-CD1 4.42Å; V791-L849 HydrophobicContact CG2-CD1 4.13Å; V791-L849 HydrophobicContact CG2-CD2 3.96Å; M841-L849 HydrophobicContact CB-CD2 3.73Å; Y842-L849 HydrophobicContact CD1-CD1 4.13Å; Y842-L849 HydrophobicContact CD1-CD2 4.05Å; Y842-L849 HydrophobicContact CD1-CG 4.08Å; Y842-L849 HydrophobicContact CE1-CD1 3.56Å; Y842-L849 HydrophobicContact CE1-CD2 4.28Å; Y842-L849 HydrophobicContact CE1-CG 4.03Å; Y842-L849 HydrophobicContact CG-CD2 4.28Å; G846-L849 PolarHBondContact N-O 2.81Å; G846-L849 VanDerWaalsContact O-CB 3.3Å; G846-L849 WeakPolarHBondContact O-CB 3.43Å; G846-L849 PolarHBondContact O-N 3.26Å; F847-L849 VanDerWaalsContact C-N 3.27Å; F847-L849 PolarHBondContact O-N 2.73Å
850	K	91.2	Very high	91.8	Very high	179 Å²	179	42.9 Å²	42.9	78%	0.778	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-75.7	130	173	-68.7	-178.5	-178.3	175.3	0	110	N852	K850-N852 PolarHBondContact O-N 2.92Å
851	Q	92.8	Very high	92.1	Very high	103 Å²	103	42.2 Å²	42.2	48%	0.481	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-58	128.9	172.2	-170.1	177.2	52.6	0	0	109.9	Y842 S843 V844 F853	Y842-Q851 CarbonylContact O-C 3.44Å; Y842-Q851 WeakPolarHBondContact O-CA 3.44Å; S843-Q851 WeakPolarHBondContact O-CG 3.19Å; S843-Q851 PolarHBondContact O-NE2 2.98Å; V844-Q851 PolarHBondContact O-NE2 2.86Å; V844-Q851 VanDerWaalsContact O-NE2 3.14Å; Q851-F853 HydrophobicContact CG-CD2 4.15Å; Q851-F853 HydrophobicContact CG-CE2 3.57Å; Q851-F853 HydrophobicContact CG-CZ 3.86Å
852	N	93.8	Very high	92.4	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	25%	0.254	S	S	.	.			trans	-147.6	92.4	-179.3	-172.4	-15.8	0	0	0	110.1	Y842 K850 S854 L855 A856	Y842-N852 HydrophobicContact CD1-CB 4.15Å; Y842-N852 PolarHBondContact O-N 2.82Å; K850-N852 PolarHBondContact O-N 2.92Å; N852-S854 VanDerWaalsContact C-N 3.34Å; N852-S854 PolarHBondContact O-N 3.02Å; N852-S854 PolarHBondContact OD1-N 3.36Å; N852-L855 HydrophobicContact CB-CB 4.1Å; N852-L855 PolarHBondContact O-N 3.39Å; N852-L855 PolarHBondContact OD1-N 2.99Å; N852-L855 VanDerWaalsContact OD1-N 3.09Å; N852-A856 WeakPolarHBondContact O-CB 3.47Å; N852-A856 PolarHBondContact O-N 2.9Å
853	F	94	Very high	92.2	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-34.4	-178.8	-68	-76.2	0	0	0	113.6	S843 Q851 A856 G857 A886 N890 I893	S843-F853 VanDerWaalsContact O-CE1 3.31Å; S843-F853 WeakPolarHBondContact O-CE1 3.26Å; Q851-F853 HydrophobicContact CG-CD2 4.15Å; Q851-F853 HydrophobicContact CG-CE2 3.57Å; Q851-F853 HydrophobicContact CG-CZ 3.86Å; F853-A856 PolarHBondContact O-N 2.96Å; F853-G857 PolarHBondContact O-N 3.16Å; F853-A886 WeakPolarHBondContact CB-O 3.31Å; F853-N890 HydrophobicContact CB-CB 3.61Å; F853-I893 HydrophobicContact CD2-CD1 3.46Å; F853-I893 VanDerWaalsContact CD2-CD1 3.46Å; F853-I893 HydrophobicContact CE2-CD1 3.01Å; F853-I893 HydrophobicContact CZ-CD1 3.82Å
854	S	94.1	Very high	92.3	Very high	45 Å²	45	42.5 Å²	42.5	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-61.6	-49.9	175.8	-171.8	0	0	0	0	110.7	N852 A856 G857 D858	N852-S854 VanDerWaalsContact C-N 3.34Å; N852-S854 PolarHBondContact O-N 3.02Å; N852-S854 PolarHBondContact OD1-N 3.36Å; S854-A856 VanDerWaalsContact C-N 3.33Å; S854-A856 PolarHBondContact O-N 3.22Å; S854-G857 PolarHBondContact O-N 2.77Å; S854-D858 PolarHBondContact O-N 2.83Å
855	L	94.4	Very high	92.5	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-66.9	-35.6	178.8	-178.3	61.1	0	0	0	112	Y842 N852 D858 L859	Y842-L855 HydrophobicContact CD1-CD2 3.96Å; Y842-L855 HydrophobicContact CD2-CD2 4.02Å; Y842-L855 HydrophobicContact CD2-CG 4.29Å; Y842-L855 HydrophobicContact CE1-CD2 3.6Å; Y842-L855 HydrophobicContact CE2-CD2 3.69Å; Y842-L855 HydrophobicContact CE2-CG 4.33Å; Y842-L855 HydrophobicContact CG-CD2 4.15Å; Y842-L855 HydrophobicContact CG-CG 4.47Å; Y842-L855 VanDerWaalsContact CZ-CD2 3.45Å; N852-L855 HydrophobicContact CB-CB 4.1Å; N852-L855 PolarHBondContact O-N 3.39Å; N852-L855 PolarHBondContact OD1-N 2.99Å; N852-L855 VanDerWaalsContact OD1-N 3.09Å; L855-D858 PolarHBondContact O-N 2.8Å; L855-L859 HydrophobicContact CD1-CD1 4.46Å; L855-L859 HydrophobicContact CD1-CG 4.35Å; L855-L859 HydrophobicContact CG-CD1 4.12Å; L855-L859 HydrophobicContact CG-CG 4.47Å; L855-L859 WeakPolarHBondContact O-CB 3.22Å; L855-L859 VanDerWaalsContact O-CG 3.28Å; L855-L859 WeakPolarHBondContact O-CG 3.3Å; L855-L859 PolarHBondContact O-N 2.83Å
856	A	94.4	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-44.2	173.4	0	0	0	0	0	111.7	A839 S843 N852 F853 S854 L859 F860 A886	A839-A856 WeakPolarHBondContact CB-O 3.49Å; A839-A856 WeakPolarHBondContact O-CB 3.49Å; S843-A856 WeakPolarHBondContact OG-CB 3.37Å; N852-A856 WeakPolarHBondContact O-CB 3.47Å; N852-A856 PolarHBondContact O-N 2.9Å; F853-A856 PolarHBondContact O-N 2.96Å; S854-A856 VanDerWaalsContact C-N 3.33Å; S854-A856 PolarHBondContact O-N 3.22Å; A856-L859 PolarHBondContact O-N 2.92Å; A856-F860 WeakPolarHBondContact O-CD2 3.39Å; A856-F860 PolarHBondContact O-N 2.76Å; A856-A886 HydrophobicContact CB-CB 4.27Å
857	G	95.6	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-45.8	174.1	0	0	0	0	0	112.6	F853 S854 L859 F860 T861 Y887	F853-G857 PolarHBondContact O-N 3.16Å; S854-G857 PolarHBondContact O-N 2.77Å; G857-L859 PolarHBondContact O-N 2.88Å; G857-F860 PolarHBondContact O-N 2.88Å; G857-T861 WeakPolarHBondContact O-CB 3.46Å; G857-T861 PolarHBondContact O-N 3.03Å; G857-T861 PolarHBondContact O-OG1 3.16Å; G857-Y887 PolarHBondContact O-OH 2.9Å
858	D	96.6	Very high	93	Very high	82 Å²	82	45.6 Å²	45.6	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-46.3	177.4	-65.9	-31.4	0	0	0	111.3	S854 L855 T861 Q862 Y887	S854-D858 PolarHBondContact O-N 2.83Å; L855-D858 PolarHBondContact O-N 2.8Å; D858-T861 WeakPolarHBondContact O-CB 3.26Å; D858-T861 PolarHBondContact O-N 2.9Å; D858-Q862 PolarHBondContact O-N 2.77Å; D858-Y887 WeakPolarHBondContact CA-OH 3.36Å; D858-Y887 PolarHBondContact N-OH 2.75Å; D858-Y887 VanDerWaalsContact N-OH 3.16Å; D858-Y887 PolarHBondContact OD1-OH 3.36Å; D858-Y887 VanDerWaalsContact OD1-OH 3.07Å
859	L	95.1	Very high	93.1	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-40.3	179.6	-72.6	170.6	0	0	0	112.5	L835 M838 A839 Y842 L855 A856 G857 T861 Q862 A863	L835-L859 HydrophobicContact CD2-CD2 3.87Å; M838-L859 HydrophobicContact CB-CD1 4.07Å; A839-L859 HydrophobicContact CB-CB 3.67Å; Y842-L859 HydrophobicContact CD2-CD1 3.56Å; Y842-L859 HydrophobicContact CE2-CD1 3.88Å; L855-L859 HydrophobicContact CD1-CD1 4.46Å; L855-L859 HydrophobicContact CD1-CG 4.35Å; L855-L859 HydrophobicContact CG-CD1 4.12Å; L855-L859 HydrophobicContact CG-CG 4.47Å; L855-L859 WeakPolarHBondContact O-CB 3.22Å; L855-L859 VanDerWaalsContact O-CG 3.28Å; L855-L859 WeakPolarHBondContact O-CG 3.3Å; L855-L859 PolarHBondContact O-N 2.83Å; A856-L859 PolarHBondContact O-N 2.92Å; G857-L859 PolarHBondContact O-N 2.88Å; L859-T861 VanDerWaalsContact C-N 3.35Å; L859-Q862 PolarHBondContact O-N 3.3Å; L859-A863 WeakPolarHBondContact O-CB 3.11Å; L859-A863 PolarHBondContact O-N 3.27Å
860	F	96.4	Very high	92.9	Very high	6 Å²	6	50 Å²	50	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-39.3	173.9	-81.3	-53.8	0	0	0	111.9	A836 A839 E840 A856 G857 A863 A864 Y879 L882 A883	A836-F860 HydrophobicContact CB-CD1 4.34Å; A836-F860 HydrophobicContact CB-CE1 4.21Å; A836-F860 WeakPolarHBondContact O-CE1 3.22Å; A839-F860 HydrophobicContact CB-CB 4.44Å; A839-F860 HydrophobicContact CB-CD1 3.64Å; A839-F860 HydrophobicContact CB-CD2 3.54Å; A839-F860 HydrophobicContact CB-CE1 3.63Å; A839-F860 HydrophobicContact CB-CE2 3.53Å; A839-F860 HydrophobicContact CB-CG 3.58Å; A839-F860 HydrophobicContact CB-CZ 3.57Å; E840-F860 HydrophobicContact CG-CE1 4.23Å; E840-F860 HydrophobicContact CG-CZ 3.8Å; A856-F860 WeakPolarHBondContact O-CD2 3.39Å; A856-F860 PolarHBondContact O-N 2.76Å; G857-F860 PolarHBondContact O-N 2.88Å; F860-A863 WeakPolarHBondContact O-CB 3.41Å; F860-A863 PolarHBondContact O-N 2.79Å; F860-A864 WeakPolarHBondContact O-CB 3.49Å; F860-A864 PolarHBondContact O-N 3.2Å; F860-Y879 HydrophobicContact CD1-CD1 4.21Å; F860-L882 HydrophobicContact CD1-CB 4.02Å; F860-L882 HydrophobicContact CD1-CD1 4.34Å; F860-L882 HydrophobicContact CD2-CB 4Å; F860-L882 HydrophobicContact CE1-CB 4.06Å; F860-L882 HydrophobicContact CE1-CD1 3.8Å; F860-L882 HydrophobicContact CE2-CB 4.04Å; F860-L882 HydrophobicContact CG-CB 4.01Å; F860-L882 HydrophobicContact CZ-CB 4.07Å; F860-L882 HydrophobicContact CZ-CD1 4.11Å; F860-A883 HydrophobicContact CB-CB 3.68Å
861	T	96.4	Very high	92.7	Very high	33 Å²	33	49.3 Å²	49.3	20%	0.202	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-48.2	175.4	-53.4	0	0	0	0	110.2	G857 D858 L859 A863 A864 E865 F880 Y887	G857-T861 WeakPolarHBondContact O-CB 3.46Å; G857-T861 PolarHBondContact O-N 3.03Å; G857-T861 PolarHBondContact O-OG1 3.16Å; D858-T861 WeakPolarHBondContact O-CB 3.26Å; D858-T861 PolarHBondContact O-N 2.9Å; L859-T861 VanDerWaalsContact C-N 3.35Å; T861-A863 PolarHBondContact O-N 2.53Å; T861-A864 WeakPolarHBondContact O-CB 3.4Å; T861-A864 PolarHBondContact O-N 3.18Å; T861-A864 VanDerWaalsContact O-N 3.14Å; T861-E865 WeakPolarHBondContact O-CG 3.3Å; T861-E865 PolarHBondContact O-N 3.36Å; T861-F880 HydrophobicContact CG2-CE1 4.15Å; T861-Y887 PolarHBondContact OG1-OH 3.36Å
862	Q	94.8	Very high	92.3	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-41.8	176.5	-168.3	-178.8	41.2	0	0	112.1	L835 D858 L859 A864 E865 I866	L835-Q862 HydrophobicContact CD1-CB 4.31Å; L835-Q862 HydrophobicContact CD1-CG 3.86Å; D858-Q862 PolarHBondContact O-N 2.77Å; L859-Q862 PolarHBondContact O-N 3.3Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.11Å; Q862-E865 PolarHBondContact O-N 3.45Å; Q862-I866 HydrophobicContact CG-CD1 4.21Å; Q862-I866 WeakPolarHBondContact O-CG1 3.25Å; Q862-I866 PolarHBondContact O-N 3.39Å; Q862-I866 VanDerWaalsContact O-N 3.08Å
863	A	89.9	Confident	91.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-40.5	174.3	0	0	0	0	0	111.7	Y832 L835 A836 L859 F860 T861 A867 Y879	Y832-A863 WeakPolarHBondContact CB-O 3.41Å; Y832-A863 WeakPolarHBondContact O-CB 3.42Å; L835-A863 HydrophobicContact CB-CB 3.86Å; A836-A863 HydrophobicContact CB-CB 4.17Å; L859-A863 WeakPolarHBondContact O-CB 3.11Å; L859-A863 PolarHBondContact O-N 3.27Å; F860-A863 WeakPolarHBondContact O-CB 3.41Å; F860-A863 PolarHBondContact O-N 2.79Å; T861-A863 PolarHBondContact O-N 2.53Å; A863-A867 WeakPolarHBondContact O-CB 3.16Å; A863-A867 PolarHBondContact O-N 3.12Å; A863-Y879 HydrophobicContact CB-CD2 3.86Å; A863-Y879 HydrophobicContact CB-CE2 4.2Å; A863-Y879 HydrophobicContact CB-CG 4.28Å
864	A	92.8	Very high	91.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-40.4	179.3	0	0	0	0	0	112.6	F860 T861 Q862 S868 A876 F880	F860-A864 WeakPolarHBondContact O-CB 3.49Å; F860-A864 PolarHBondContact O-N 3.2Å; T861-A864 WeakPolarHBondContact O-CB 3.4Å; T861-A864 PolarHBondContact O-N 3.18Å; T861-A864 VanDerWaalsContact O-N 3.14Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.11Å; A864-S868 WeakPolarHBondContact O-CB 3.4Å; A864-S868 PolarHBondContact O-N 3.32Å; A864-S868 PolarHBondContact O-OG 3.33Å; A864-A876 WeakPolarHBondContact CB-O 3.38Å; A864-A876 WeakPolarHBondContact O-CB 3.48Å; A864-F880 HydrophobicContact CB-CD1 3.63Å; A864-F880 HydrophobicContact CB-CD2 3.6Å; A864-F880 HydrophobicContact CB-CE1 3.58Å; A864-F880 HydrophobicContact CB-CE2 3.55Å; A864-F880 HydrophobicContact CB-CG 3.63Å; A864-F880 HydrophobicContact CB-CZ 3.53Å
865	E	94	Very high	90.9	Very high	111 Å²	111	57.6 Å²	57.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-50.9	175.2	-70.8	177.7	172.9	0	0	111.3	T861 Q862 A867 S868 S869 F880	T861-E865 WeakPolarHBondContact O-CG 3.3Å; T861-E865 PolarHBondContact O-N 3.36Å; Q862-E865 PolarHBondContact O-N 3.45Å; E865-A867 PolarHBondContact O-N 3.47Å; E865-S868 WeakPolarHBondContact O-CB 3.44Å; E865-S868 PolarHBondContact O-N 2.74Å; E865-S868 VanDerWaalsContact O-N 3.13Å; E865-S869 PolarHBondContact O-N 3.26Å; E865-S869 PolarHBondContact O-OG 3.04Å; E865-F880 HydrophobicContact CG-CZ 4.28Å
866	I	90.5	Very high	90.6	Very high	46 Å²	46	55.1 Å²	55.1	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-40.3	179.2	-63	173.8	0	0	0	111	M802 V831 Y832 L835 Q862 S868 S869 A870	M802-I866 HydrophobicContact CE-CD1 3.54Å; V831-I866 HydrophobicContact CG1-CD1 3.92Å; Y832-I866 HydrophobicContact CD1-CG2 4.18Å; L835-I866 HydrophobicContact CD1-CD1 3.62Å; Q862-I866 HydrophobicContact CG-CD1 4.21Å; Q862-I866 WeakPolarHBondContact O-CG1 3.25Å; Q862-I866 PolarHBondContact O-N 3.39Å; Q862-I866 VanDerWaalsContact O-N 3.08Å; I866-S868 VanDerWaalsContact C-N 3.3Å; I866-S868 PolarHBondContact O-N 3.39Å; I866-S869 PolarHBondContact O-N 3.43Å; I866-A870 WeakPolarHBondContact O-CB 3.42Å; I866-A870 PolarHBondContact O-N 3.48Å
867	A	86.9	Confident	90.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-36.7	174.4	0	0	0	0	0	112	Y832 A863 E865 A870 L871 Q872 L875 A876 Y879	Y832-A867 HydrophobicContact CD1-CB 4.4Å; Y832-A867 HydrophobicContact CD2-CB 4.16Å; Y832-A867 HydrophobicContact CG-CB 3.96Å; A863-A867 WeakPolarHBondContact O-CB 3.16Å; A863-A867 PolarHBondContact O-N 3.12Å; E865-A867 PolarHBondContact O-N 3.47Å; A867-A870 CarbonylContact O-C 3.58Å; A867-A870 PolarHBondContact O-N 3.43Å; A867-L871 PolarHBondContact O-N 3.02Å; A867-Q872 HydrophobicContact CB-CB 4.26Å; A867-Q872 WeakPolarHBondContact O-CA 3.47Å; A867-Q872 WeakPolarHBondContact O-CB 3.47Å; A867-Q872 PolarHBondContact O-N 3.47Å; A867-L875 HydrophobicContact CB-CD2 4.3Å; A867-A876 HydrophobicContact CB-CB 4.02Å; A867-Y879 HydrophobicContact CB-CD2 4.26Å; A867-Y879 HydrophobicContact CB-CE2 4.4Å
868	S	91.4	Very high	90.2	Very high	53 Å²	53	63.7 Å²	63.7	37%	0.371	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-44.7	174.7	-62.6	0	0	0	0	111.4	A864 E865 I866 A870 L871 A876	A864-S868 WeakPolarHBondContact O-CB 3.4Å; A864-S868 PolarHBondContact O-N 3.32Å; A864-S868 PolarHBondContact O-OG 3.33Å; E865-S868 WeakPolarHBondContact O-CB 3.44Å; E865-S868 PolarHBondContact O-N 2.74Å; E865-S868 VanDerWaalsContact O-N 3.13Å; I866-S868 VanDerWaalsContact C-N 3.3Å; I866-S868 PolarHBondContact O-N 3.39Å; S868-A870 VanDerWaalsContact C-N 3.26Å; S868-A870 PolarHBondContact O-N 3.44Å; S868-L871 PolarHBondContact O-N 2.96Å; S868-A876 WeakPolarHBondContact OG-CB 3.3Å
869	S	89.7	Confident	89.9	Confident	106 Å²	106	60.8 Å²	60.8	74%	0.741	32%	0.324	S	S	*	.	H	α-helix	trans	-62.4	-33.4	174.5	-62.4	0	0	0	0	112.5	E865 I866 L871	E865-S869 PolarHBondContact O-N 3.26Å; E865-S869 PolarHBondContact O-OG 3.04Å; I866-S869 PolarHBondContact O-N 3.43Å; S869-L871 PolarHBondContact O-N 3.16Å
870	A	85.5	Confident	89.9	Confident	47 Å²	47	63.8 Å²	63.8	39%	0.388	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	12.3	173.7	0	0	0	0	0	114.2	Y832 I866 A867 S868 Q872	Y832-A870 HydrophobicContact CD1-CB 4.33Å; Y832-A870 HydrophobicContact CE1-CB 3.94Å; I866-A870 WeakPolarHBondContact O-CB 3.42Å; I866-A870 PolarHBondContact O-N 3.48Å; A867-A870 CarbonylContact O-C 3.58Å; A867-A870 PolarHBondContact O-N 3.43Å; S868-A870 VanDerWaalsContact C-N 3.26Å; S868-A870 PolarHBondContact O-N 3.44Å; A870-Q872 HydrophobicContact CB-CG 4.48Å; A870-Q872 PolarHBondContact O-N 3.05Å
871	L	88.3	Confident	89.7	Confident	163 Å²	163	69.3 Å²	69.3	85%	0.853	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.8	-179.4	-55.1	174.9	0	0	0	114.8	A867 S868 S869 G873	A867-L871 PolarHBondContact O-N 3.02Å; S868-L871 PolarHBondContact O-N 2.96Å; S869-L871 PolarHBondContact O-N 3.16Å; L871-G873 VanDerWaalsContact C-N 3.32Å; L871-G873 PolarHBondContact O-N 2.9Å
872	Q	83.7	Confident	89.5	Confident	91 Å²	91	69.6 Å²	69.6	43%	0.425	36%	0.362	S	S	.	.			trans	-91.5	55.1	176.3	-64	-64.6	-30.6	0	0	111.6	A867 A870 R874 L875 A876	A867-Q872 HydrophobicContact CB-CB 4.26Å; A867-Q872 WeakPolarHBondContact O-CA 3.47Å; A867-Q872 WeakPolarHBondContact O-CB 3.47Å; A867-Q872 PolarHBondContact O-N 3.47Å; A870-Q872 HydrophobicContact CB-CG 4.48Å; A870-Q872 PolarHBondContact O-N 3.05Å; Q872-R874 VanDerWaalsContact C-N 3.33Å; Q872-R874 PolarHBondContact O-N 2.82Å; Q872-R874 VanDerWaalsContact O-N 3.17Å; Q872-L875 HydrophobicContact CB-CB 4.06Å; Q872-L875 HydrophobicContact CB-CD2 4.47Å; Q872-L875 WeakPolarHBondContact O-CB 3.35Å; Q872-L875 PolarHBondContact O-N 2.89Å; Q872-A876 PolarHBondContact O-N 3.15Å
873	G	83.6	Confident	89.5	Confident	48 Å²	48	66 Å²	66	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-57.3	-35.1	-169.3	0	0	0	0	0	115.8	L871 A877	L871-G873 VanDerWaalsContact C-N 3.32Å; L871-G873 PolarHBondContact O-N 2.9Å; G873-A877 WeakPolarHBondContact O-CB 3.47Å; G873-A877 PolarHBondContact O-N 2.97Å
874	R	86.9	Confident	89.7	Confident	237 Å²	237	70.9 Å²	70.9	89%	0.894	37%	0.371	S	S	*	.	H	α-helix	trans	-68.3	-38.6	175.4	-69.3	-174.4	-175.2	174.5	2.8	112.4	Q872 R878	Q872-R874 VanDerWaalsContact C-N 3.33Å; Q872-R874 PolarHBondContact O-N 2.82Å; Q872-R874 VanDerWaalsContact O-N 3.17Å; R874-R878 PolarHBondContact O-N 3.42Å
875	L	82.6	Confident	89.7	Confident	39 Å²	39	76.4 Å²	76.4	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-71.8	-42.3	178.7	-165.3	86.1	0	0	0	110.1	Y832 A867 Q872 A877 R878 Y879	Y832-L875 HydrophobicContact CD2-CD2 3.47Å; Y832-L875 VanDerWaalsContact CD2-CD2 3.47Å; Y832-L875 HydrophobicContact CE2-CD2 3.27Å; A867-L875 HydrophobicContact CB-CD2 4.3Å; Q872-L875 HydrophobicContact CB-CB 4.06Å; Q872-L875 HydrophobicContact CB-CD2 4.47Å; Q872-L875 WeakPolarHBondContact O-CB 3.35Å; Q872-L875 PolarHBondContact O-N 2.89Å; L875-A877 PolarHBondContact O-N 2.86Å; L875-R878 WeakPolarHBondContact O-CB 3.45Å; L875-R878 PolarHBondContact O-N 3Å; L875-Y879 HydrophobicContact CD1-CE2 4.47Å; L875-Y879 HydrophobicContact CD2-CD2 4.29Å; L875-Y879 HydrophobicContact CD2-CE2 3.38Å; L875-Y879 HydrophobicContact CG-CD2 4.17Å; L875-Y879 HydrophobicContact CG-CE1 4.44Å; L875-Y879 HydrophobicContact CG-CE2 3.56Å; L875-Y879 PolarHBondContact O-N 2.94Å
876	A	87.5	Confident	89.6	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.017	37%	0.374	C	S	.	.	H	α-helix	trans	-58.4	-46.5	175.3	0	0	0	0	0	112.2	A864 A867 S868 Q872 R878 Y879 F880	A864-A876 WeakPolarHBondContact CB-O 3.38Å; A864-A876 WeakPolarHBondContact O-CB 3.48Å; A867-A876 HydrophobicContact CB-CB 4.02Å; S868-A876 WeakPolarHBondContact OG-CB 3.3Å; Q872-A876 PolarHBondContact O-N 3.15Å; A876-R878 VanDerWaalsContact C-N 3.3Å; A876-R878 PolarHBondContact O-N 3.12Å; A876-Y879 PolarHBondContact O-N 2.74Å; A876-Y879 VanDerWaalsContact O-N 3.15Å; A876-F880 VanDerWaalsContact O-CD2 3.25Å; A876-F880 WeakPolarHBondContact O-CD2 3.04Å; A876-F880 PolarHBondContact O-N 3.48Å
877	A	91.6	Very high	89.8	Confident	48 Å²	48	72.3 Å²	72.3	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-56.6	-44.7	175.3	0	0	0	0	0	111.8	G873 L875 Y879 F880 E881	G873-A877 WeakPolarHBondContact O-CB 3.47Å; G873-A877 PolarHBondContact O-N 2.97Å; L875-A877 PolarHBondContact O-N 2.86Å; A877-Y879 PolarHBondContact O-N 2.63Å; A877-F880 PolarHBondContact O-N 3.21Å; A877-E881 WeakPolarHBondContact O-CG 3.39Å; A877-E881 PolarHBondContact O-N 3.02Å
878	R	90.4	Very high	90.1	Very high	132 Å²	132	76.9 Å²	76.9	50%	0.498	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.5	-174.2	178.2	-179.8	-174.3	-1.6	112.8	R874 L875 A876 E881 L882	R874-R878 PolarHBondContact O-N 3.42Å; L875-R878 WeakPolarHBondContact O-CB 3.45Å; L875-R878 PolarHBondContact O-N 3Å; A876-R878 VanDerWaalsContact C-N 3.3Å; A876-R878 PolarHBondContact O-N 3.12Å; R878-E881 PolarHBondContact O-N 2.79Å; R878-L882 HydrophobicContact CG-CD1 4.43Å; R878-L882 WeakPolarHBondContact O-CG 3.28Å; R878-L882 PolarHBondContact O-N 2.68Å
879	Y	90	Very high	90.1	Very high	21 Å²	21	76.2 Å²	76.2	8%	0.082	40%	0.395	C	S	.	.	H	α-helix	trans	-69.6	-35.8	176.6	-67.7	-30	0	0	0	112.4	Y832 A836 F860 A863 A867 L875 A876 A877 L882 A883	Y832-Y879 HydrophobicContact CD2-CE2 4.1Å; A836-Y879 HydrophobicContact CB-CD1 3.93Å; A836-Y879 HydrophobicContact CB-CE1 3.29Å; A836-Y879 HydrophobicContact CB-CE2 4.01Å; A836-Y879 WeakPolarHBondContact CB-OH 3.44Å; F860-Y879 HydrophobicContact CD1-CD1 4.21Å; A863-Y879 HydrophobicContact CB-CD2 3.86Å; A863-Y879 HydrophobicContact CB-CE2 4.2Å; A863-Y879 HydrophobicContact CB-CG 4.28Å; A867-Y879 HydrophobicContact CB-CD2 4.26Å; A867-Y879 HydrophobicContact CB-CE2 4.4Å; L875-Y879 HydrophobicContact CD1-CE2 4.47Å; L875-Y879 HydrophobicContact CD2-CD2 4.29Å; L875-Y879 HydrophobicContact CD2-CE2 3.38Å; L875-Y879 HydrophobicContact CG-CD2 4.17Å; L875-Y879 HydrophobicContact CG-CE1 4.44Å; L875-Y879 HydrophobicContact CG-CE2 3.56Å; L875-Y879 PolarHBondContact O-N 2.94Å; A876-Y879 PolarHBondContact O-N 2.74Å; A876-Y879 VanDerWaalsContact O-N 3.15Å; A877-Y879 PolarHBondContact O-N 2.63Å; Y879-L882 HydrophobicContact CD1-CD1 4.3Å; Y879-L882 PolarHBondContact O-N 2.8Å; Y879-A883 WeakPolarHBondContact O-CB 3.43Å; Y879-A883 PolarHBondContact O-N 2.8Å
880	F	95.5	Very high	90	Very high	81 Å²	81	73.3 Å²	73.3	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-42	170.4	-75.4	-58.4	0	0	0	112	T861 A864 E865 A876 A877 L882 A883 D884	T861-F880 HydrophobicContact CG2-CE1 4.15Å; A864-F880 HydrophobicContact CB-CD1 3.63Å; A864-F880 HydrophobicContact CB-CD2 3.6Å; A864-F880 HydrophobicContact CB-CE1 3.58Å; A864-F880 HydrophobicContact CB-CE2 3.55Å; A864-F880 HydrophobicContact CB-CG 3.63Å; A864-F880 HydrophobicContact CB-CZ 3.53Å; E865-F880 HydrophobicContact CG-CZ 4.28Å; A876-F880 VanDerWaalsContact O-CD2 3.25Å; A876-F880 WeakPolarHBondContact O-CD2 3.04Å; A876-F880 PolarHBondContact O-N 3.48Å; A877-F880 PolarHBondContact O-N 3.21Å; F880-L882 PolarHBondContact O-N 2.81Å; F880-A883 WeakPolarHBondContact O-CB 3.48Å; F880-A883 PolarHBondContact O-N 3.31Å; F880-D884 PolarHBondContact O-N 3.5Å
881	E	92.9	Very high	90.1	Very high	121 Å²	121	76.3 Å²	76.3	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-59.4	-45.2	174.5	-71.5	169.6	-175.4	0	0	111.8	A877 R878 A883 D884 E885	A877-E881 WeakPolarHBondContact O-CG 3.39Å; A877-E881 PolarHBondContact O-N 3.02Å; R878-E881 PolarHBondContact O-N 2.79Å; E881-A883 VanDerWaalsContact C-N 3.32Å; E881-A883 PolarHBondContact O-N 2.74Å; E881-D884 PolarHBondContact O-N 3.26Å; E881-E885 WeakPolarHBondContact O-CG 3.19Å; E881-E885 PolarHBondContact O-N 2.83Å
882	L	91.4	Very high	90	Very high	39 Å²	39	75.5 Å²	75.5	20%	0.204	37%	0.369	C	S	.	.	H	α-helix	trans	-66.6	-31.9	176.3	-70.7	172.2	0	0	0	112.9	F860 R878 Y879 F880 A886	F860-L882 HydrophobicContact CD1-CB 4.02Å; F860-L882 HydrophobicContact CD1-CD1 4.34Å; F860-L882 HydrophobicContact CD2-CB 4Å; F860-L882 HydrophobicContact CE1-CB 4.06Å; F860-L882 HydrophobicContact CE1-CD1 3.8Å; F860-L882 HydrophobicContact CE2-CB 4.04Å; F860-L882 HydrophobicContact CG-CB 4.01Å; F860-L882 HydrophobicContact CZ-CB 4.07Å; F860-L882 HydrophobicContact CZ-CD1 4.11Å; R878-L882 HydrophobicContact CG-CD1 4.43Å; R878-L882 WeakPolarHBondContact O-CG 3.28Å; R878-L882 PolarHBondContact O-N 2.68Å; Y879-L882 HydrophobicContact CD1-CD1 4.3Å; Y879-L882 PolarHBondContact O-N 2.8Å; F880-L882 PolarHBondContact O-N 2.81Å; L882-A886 WeakPolarHBondContact O-CB 3.3Å; L882-A886 PolarHBondContact O-N 2.95Å
883	A	93.9	Very high	89.9	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-47.6	173.2	0	0	0	0	0	110.7	F860 Y879 F880 E881 E885 A886 Y887	F860-A883 HydrophobicContact CB-CB 3.68Å; Y879-A883 WeakPolarHBondContact O-CB 3.43Å; Y879-A883 PolarHBondContact O-N 2.8Å; F880-A883 WeakPolarHBondContact O-CB 3.48Å; F880-A883 PolarHBondContact O-N 3.31Å; E881-A883 VanDerWaalsContact C-N 3.32Å; E881-A883 PolarHBondContact O-N 2.74Å; A883-E885 VanDerWaalsContact C-N 3.35Å; A883-E885 PolarHBondContact O-N 3.19Å; A883-A886 PolarHBondContact O-N 3.34Å; A883-Y887 HydrophobicContact CB-CE2 4.12Å; A883-Y887 WeakPolarHBondContact O-CD2 3.42Å; A883-Y887 PolarHBondContact O-N 3.33Å
884	D	94.4	Very high	89.7	Confident	102 Å²	102	78.6 Å²	78.6	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.8	-72.7	-17.9	0	0	0	111.5	F880 E881 A886 Y887 L888	F880-D884 PolarHBondContact O-N 3.5Å; E881-D884 PolarHBondContact O-N 3.26Å; D884-A886 VanDerWaalsContact C-N 3.35Å; D884-A886 PolarHBondContact O-N 2.98Å; D884-Y887 PolarHBondContact O-N 3.3Å; D884-L888 WeakPolarHBondContact O-CB 3.45Å; D884-L888 VanDerWaalsContact O-CG 3.25Å; D884-L888 WeakPolarHBondContact O-CG 3.47Å; D884-L888 PolarHBondContact O-N 3.28Å
885	E	93.2	Very high	88.8	Confident	116 Å²	116	76 Å²	76	54%	0.542	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-41.2	175.1	-73	178.6	-174.2	0	0	112.7	E881 A883 S889	E881-E885 WeakPolarHBondContact O-CG 3.19Å; E881-E885 PolarHBondContact O-N 2.83Å; A883-E885 VanDerWaalsContact C-N 3.35Å; A883-E885 PolarHBondContact O-N 3.19Å; E885-S889 WeakPolarHBondContact O-CB 3.49Å; E885-S889 PolarHBondContact O-N 3.09Å; E885-S889 PolarHBondContact O-OG 2.97Å
886	A	92.2	Very high	89.1	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.033	39%	0.393	C	S	.	.	H	α-helix	trans	-66.2	-45.9	177	0	0	0	0	0	111.3	F853 A856 L882 A883 D884 L888 S889 N890	F853-A886 WeakPolarHBondContact CB-O 3.31Å; A856-A886 HydrophobicContact CB-CB 4.27Å; L882-A886 WeakPolarHBondContact O-CB 3.3Å; L882-A886 PolarHBondContact O-N 2.95Å; A883-A886 PolarHBondContact O-N 3.34Å; D884-A886 VanDerWaalsContact C-N 3.35Å; D884-A886 PolarHBondContact O-N 2.98Å; A886-L888 PolarHBondContact O-N 3.09Å; A886-S889 PolarHBondContact O-N 2.94Å; A886-N890 PolarHBondContact O-N 3.16Å
887	Y	94	Very high	89.2	Confident	68 Å²	68	81.9 Å²	81.9	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.3	-65.9	-54.5	0	0	0	112.2	G857 D858 T861 A883 D884 S889 N890 E891	G857-Y887 PolarHBondContact O-OH 2.9Å; D858-Y887 WeakPolarHBondContact CA-OH 3.36Å; D858-Y887 PolarHBondContact N-OH 2.75Å; D858-Y887 VanDerWaalsContact N-OH 3.16Å; D858-Y887 PolarHBondContact OD1-OH 3.36Å; D858-Y887 VanDerWaalsContact OD1-OH 3.07Å; T861-Y887 PolarHBondContact OG1-OH 3.36Å; A883-Y887 HydrophobicContact CB-CE2 4.12Å; A883-Y887 WeakPolarHBondContact O-CD2 3.42Å; A883-Y887 PolarHBondContact O-N 3.33Å; D884-Y887 PolarHBondContact O-N 3.3Å; Y887-S889 VanDerWaalsContact C-N 3.32Å; Y887-S889 PolarHBondContact O-N 3.01Å; Y887-N890 VanDerWaalsContact O-CB 3.31Å; Y887-N890 WeakPolarHBondContact O-CB 3.31Å; Y887-N890 PolarHBondContact O-N 3.1Å; Y887-N890 VanDerWaalsContact O-N 3.16Å; Y887-E891 PolarHBondContact O-N 3.35Å
888	L	93	Very high	89	Confident	95 Å²	95	83.8 Å²	83.8	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-38.7	175.3	-72.7	171.2	0	0	0	112.3	D884 A886 N890 E891 Q892	D884-L888 WeakPolarHBondContact O-CB 3.45Å; D884-L888 VanDerWaalsContact O-CG 3.25Å; D884-L888 WeakPolarHBondContact O-CG 3.47Å; D884-L888 PolarHBondContact O-N 3.28Å; A886-L888 PolarHBondContact O-N 3.09Å; L888-N890 VanDerWaalsContact C-N 3.32Å; L888-E891 PolarHBondContact O-N 3.26Å; L888-Q892 WeakPolarHBondContact O-CG 3.35Å; L888-Q892 PolarHBondContact O-N 2.93Å
889	S	91	Very high	88.9	Confident	39 Å²	39	80.9 Å²	80.9	27%	0.273	41%	0.408	S	S	.	.	H	α-helix	trans	-65.7	-36.7	175.3	-58.6	0	0	0	0	111.7	E885 A886 Y887 Q892 I893	E885-S889 WeakPolarHBondContact O-CB 3.49Å; E885-S889 PolarHBondContact O-N 3.09Å; E885-S889 PolarHBondContact O-OG 2.97Å; A886-S889 PolarHBondContact O-N 2.94Å; Y887-S889 VanDerWaalsContact C-N 3.32Å; Y887-S889 PolarHBondContact O-N 3.01Å; S889-Q892 PolarHBondContact O-N 3.1Å; S889-I893 WeakPolarHBondContact O-CG1 3.46Å; S889-I893 PolarHBondContact O-N 2.81Å
890	N	88.6	Confident	88.9	Confident	46 Å²	46	84.7 Å²	84.7	25%	0.246	43%	0.429	C	S	.	.	H	α-helix	trans	-63.9	-42.2	173.3	-164.4	55.3	0	0	0	111.9	F853 A886 Y887 L888 Q892 I893 T894	F853-N890 HydrophobicContact CB-CB 3.61Å; A886-N890 PolarHBondContact O-N 3.16Å; Y887-N890 VanDerWaalsContact O-CB 3.31Å; Y887-N890 WeakPolarHBondContact O-CB 3.31Å; Y887-N890 PolarHBondContact O-N 3.1Å; Y887-N890 VanDerWaalsContact O-N 3.16Å; L888-N890 VanDerWaalsContact C-N 3.32Å; N890-Q892 VanDerWaalsContact C-N 3.32Å; N890-Q892 PolarHBondContact O-N 3.26Å; N890-I893 PolarHBondContact O-N 2.9Å; N890-T894 WeakPolarHBondContact O-CB 3.44Å; N890-T894 WeakPolarHBondContact O-CG2 3.18Å; N890-T894 PolarHBondContact O-N 3.24Å; N890-T894 PolarHBondContact O-OG1 3.08Å
891	E	87.4	Confident	88.4	Confident	110 Å²	110	84.9 Å²	84.9	51%	0.514	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-38.5	174.8	-70.8	-175.7	172.5	0	0	111.9	Y887 L888 I893 T894 N895	Y887-E891 PolarHBondContact O-N 3.35Å; L888-E891 PolarHBondContact O-N 3.26Å; E891-I893 VanDerWaalsContact C-N 3.3Å; E891-I893 PolarHBondContact O-N 3.25Å; E891-T894 WeakPolarHBondContact CA-OG1 3.43Å; E891-T894 PolarHBondContact O-N 3.43Å; E891-T894 PolarHBondContact O-OG1 3.31Å; E891-N895 WeakPolarHBondContact O-CB 3.48Å; E891-N895 VanDerWaalsContact O-CG 3.28Å; E891-N895 PolarHBondContact O-N 3.03Å; E891-N895 VanDerWaalsContact O-N 3.08Å; E891-N895 PolarHBondContact O-ND2 2.79Å
892	Q	86.3	Confident	88.1	Confident	146 Å²	146	82.4 Å²	82.4	68%	0.682	42%	0.424	S	S	*	.	H	α-helix	trans	-68.1	-27	177.8	-72.7	176.3	17	0	0	114	L888 S889 N890	L888-Q892 WeakPolarHBondContact O-CG 3.35Å; L888-Q892 PolarHBondContact O-N 2.93Å; S889-Q892 PolarHBondContact O-N 3.1Å; N890-Q892 VanDerWaalsContact C-N 3.32Å; N890-Q892 PolarHBondContact O-N 3.26Å
893	I	81.5	Confident	87.9	Confident	105 Å²	105	85.7 Å²	85.7	54%	0.538	44%	0.441	S	S	.	.	H	α-helix	trans	-88.6	-26.9	179.4	-69.5	167.1	0	0	0	111.9	F853 S889 N890 E891	F853-I893 HydrophobicContact CD2-CD1 3.46Å; F853-I893 VanDerWaalsContact CD2-CD1 3.46Å; F853-I893 HydrophobicContact CE2-CD1 3.01Å; F853-I893 HydrophobicContact CZ-CD1 3.82Å; S889-I893 WeakPolarHBondContact O-CG1 3.46Å; S889-I893 PolarHBondContact O-N 2.81Å; N890-I893 PolarHBondContact O-N 2.9Å; E891-I893 VanDerWaalsContact C-N 3.3Å; E891-I893 PolarHBondContact O-N 3.25Å
894	T	79.4	Confident	87.4	Confident	99 Å²	99	92.8 Å²	92.8	61%	0.607	48%	0.477	S	S	*	.	H	α-helix	trans	-84.2	-24.1	178.1	49.7	0	0	0	0	113.2	N890 E891	N890-T894 WeakPolarHBondContact O-CB 3.44Å; N890-T894 WeakPolarHBondContact O-CG2 3.18Å; N890-T894 PolarHBondContact O-N 3.24Å; N890-T894 PolarHBondContact O-OG1 3.08Å; E891-T894 WeakPolarHBondContact CA-OG1 3.43Å; E891-T894 PolarHBondContact O-N 3.43Å; E891-T894 PolarHBondContact O-OG1 3.31Å
895	N	67.4	Low	86.7	Confident	183 Å²	183	91.9 Å²	91.9	98%	0.979	47%	0.471	S	S	*	.			trans	-84.1	0	169.2	-70.1	-48.8	0	0	0	111.8	E891	E891-N895 WeakPolarHBondContact O-CB 3.48Å; E891-N895 VanDerWaalsContact O-CG 3.28Å; E891-N895 PolarHBondContact O-N 3.03Å; E891-N895 VanDerWaalsContact O-N 3.08Å; E891-N895 PolarHBondContact O-ND2 2.79Å

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