A0A077ZEL4_TRITR Loading...

2-oxoglutarate dehydrogenase, mitochondrial

The 2-oxoglutarate dehydrogenase complex catalyzes the overall conversion of 2-oxoglutarate to succinyl-CoA and CO(2). It contains multiple copies of three enzymatic components: 2-oxoglutarate dehydrogenase (E1), dihydrolipoamide succinyltransferase (E2) and lipoamide dehydrogenase (E3).

AlphaFold DB , UniProt , Accession A0A077ZEL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 874 aa.

						>A0A077ZEL4_TRITR|A0A077ZEL4
MQNSALKAWLDSSYLSGANQSWIEQLYEDFLTDPDSVDANWRSTFQQLPGTGVKPDQFHSQTREYFRRLAKDASRYSSTISDPDTNVKQVKVLQLINAYRFRGHQHANLDPLGLWQQDKVADLDPSFHDLTEETFNVGSFLLEALKQTYCGPIGAEYMHITSTEEKRWIQQRIESGRATFNSEEKKRFLSELTAAEGLERYLGAKFPGAKRFSLEGGDALIPMLKEMIRHAGNSGTREVVLGMAHRGRLNVLVNVLGKKPQDLFDEFAGKHKEHLGTGDVKYHMGFSSDFQTDGGLVHLALAFNPSHLEIVSPVVIGSVRARLDRLDEPSSNKVLPITIHGDAAVTGQGVVQETLNMSKARGYEVGGTVRIVINNQVGFTTSNPLDARSTPYCTDIGKMVQAPIFHVNADDPEAVAFVTRLALDFRNTFKRDVFIDLVCYRRHGHNEADEPSATQPLMYQKIKKHPTPRKIYADKLEQEKVATLEDATEMVNLYRDELAKRISTVPEAVEMQSRVAKIYGDRQAMAAGEKLFDWGGAENLAYATLVDEGIPVRLSGEDSGRGTFFHRHAVIHNQSNGSTYTPLQHIHNGQGAFRVWDSVLSEEAVLAFEYGYATAEPRTLTIWEAQFGDFANGAQVVIDQFISSGEQKWGRMCGLVMLLPHGYEGQGPEHSSARLERYLQLCAEQNMQVCVPSTPAQVYHMLRRQALRGMRRPLVVMSPKSLLRHPLAVSSLEELANGTFLPAIGEIDELDPKGVKRVVMCSGKVYYDLLEQRRKNNQHDVAIVRIEQLYPFPHKAMQEVLQQFAHVKDFVWCQEEPLNQGAWYCSQHHFREVIPFGASLRYAGRPASASPAVGYMSVHQKQQQDLVNDALNVE
					

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(Predicted Aligned Error values between residue pairs)

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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	43.9	Very low	62.6	Low	229 Å²	229	124.9 Å²	124.9	100%	1.128	66%	0.658	S	S	*	*				0	-3.3	0	-115.5	-178.3	-78.9	0	0	114.5
2	Q	46.3	Very low	63.6	Low	177 Å²	177	121.9 Å²	121.9	83%	0.827	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-9.2	-169.9	-76	161.1	-49.4	0	0	116.7	S4	Q2-S4 PolarHBondContact O-N 2.97Å
3	N	55.9	Low	64.4	Low	138 Å²	138	113.9 Å²	113.9	74%	0.738	61%	0.614	S	S	*	*	H	α-helix	trans	-83.1	-7.5	-171.6	-69.6	17.3	0	0	0	115.6	K7	N3-K7 PolarHBondContact O-N 2.8Å
4	S	61.2	Low	65.1	Low	90 Å²	90	115.1 Å²	115.1	63%	0.629	61%	0.607	S	S	*	*	H	α-helix	trans	-73.4	-44.7	-179.1	50.8	0	0	0	0	112.8	Q2 L6 K7 A8	Q2-S4 PolarHBondContact O-N 2.97Å; S4-L6 PolarHBondContact O-N 3.04Å; S4-K7 PolarHBondContact O-N 3.49Å; S4-A8 PolarHBondContact O-N 2.77Å
5	A	68.6	Low	65.8	Low	70 Å²	70	113.9 Å²	113.9	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-64.4	-40.3	179.7	0	0	0	0	0	112.1	K7 A8 W9	A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 3.15Å; A5-A8 PolarHBondContact O-N 3.22Å; A5-W9 WeakPolarHBondContact O-CB 3.45Å; A5-W9 PolarHBondContact O-N 2.68Å
6	L	69.6	Low	66.5	Low	113 Å²	113	107.7 Å²	107.7	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-39.3	177.1	-154.5	87.4	0	0	0	111.6	S4 W9 L10	S4-L6 PolarHBondContact O-N 3.04Å; L6-W9 PolarHBondContact O-N 3.24Å; L6-L10 HydrophobicContact CD2-CD1 4.42Å; L6-L10 HydrophobicContact CG-CD1 4.49Å; L6-L10 WeakPolarHBondContact O-CG 3.17Å; L6-L10 PolarHBondContact O-N 3.26Å
7	K	67.6	Low	67	Low	132 Å²	132	105.2 Å²	105.2	57%	0.574	58%	0.575	S	S	*	*	H	α-helix	trans	-64.6	-48.4	175	178.8	167	179.8	176.4	0	111.6	N3 S4 A5 W9 L10 D11	N3-K7 PolarHBondContact O-N 2.8Å; S4-K7 PolarHBondContact O-N 3.49Å; A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 3.15Å; K7-W9 PolarHBondContact O-N 3.4Å; K7-L10 PolarHBondContact O-N 3.06Å; K7-L10 VanDerWaalsContact O-N 3.17Å; K7-D11 WeakPolarHBondContact CE-OD2 3.33Å; K7-D11 VanDerWaalsContact CG-OD2 3.3Å; K7-D11 WeakPolarHBondContact CG-OD2 3.49Å; K7-D11 WeakPolarHBondContact O-CB 3.48Å; K7-D11 VanDerWaalsContact O-CG 3.25Å; K7-D11 PolarHBondContact O-N 3.38Å
8	A	71	Confident	67.7	Low	62 Å²	62	104.2 Å²	104.2	51%	0.512	58%	0.583	S	S	.	*	H	α-helix	trans	-58.2	-36.9	176.9	0	0	0	0	0	112.3	S4 A5 S12	S4-A8 PolarHBondContact O-N 2.77Å; A5-A8 PolarHBondContact O-N 3.22Å; A8-S12 WeakPolarHBondContact O-CB 2.93Å; A8-S12 PolarHBondContact O-N 3.25Å; A8-S12 PolarHBondContact O-OG 3.07Å
9	W	70.2	Confident	68.5	Low	173 Å²	173	101.6 Å²	101.6	66%	0.655	57%	0.568	S	S	*	*	H	α-helix	trans	-67.4	-44.9	175.5	-168.2	77.8	0	0	0	112.5	A5 L6 K7 S12 S13	A5-W9 WeakPolarHBondContact O-CB 3.45Å; A5-W9 PolarHBondContact O-N 2.68Å; L6-W9 PolarHBondContact O-N 3.24Å; K7-W9 PolarHBondContact O-N 3.4Å; W9-S12 WeakPolarHBondContact CA-OG 3.17Å; W9-S12 CarbonylContact O-C 3.6Å; W9-S12 PolarHBondContact O-N 2.62Å; W9-S12 PolarHBondContact O-OG 3.27Å; W9-S13 PolarHBondContact O-N 2.89Å
10	L	65	Low	69.2	Low	90 Å²	90	102.3 Å²	102.3	47%	0.471	57%	0.567	S	S	.	*	H	α-helix	trans	-64.2	-42.6	175.2	-72.3	167.4	0	0	0	112.6	L6 K7 S12 S13 S16	L6-L10 HydrophobicContact CD2-CD1 4.42Å; L6-L10 HydrophobicContact CG-CD1 4.49Å; L6-L10 WeakPolarHBondContact O-CG 3.17Å; L6-L10 PolarHBondContact O-N 3.26Å; K7-L10 PolarHBondContact O-N 3.06Å; K7-L10 VanDerWaalsContact O-N 3.17Å; L10-S12 PolarHBondContact O-N 3.49Å; L10-S13 WeakPolarHBondContact O-CB 3.41Å; L10-S13 PolarHBondContact O-N 3.17Å; L10-S16 WeakPolarHBondContact O-CB 3.49Å
11	D	68.9	Low	69.8	Low	100 Å²	100	101.2 Å²	101.2	54%	0.535	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-26.4	175.6	-67.1	-18.4	0	0	0	111.4	K7 S16	K7-D11 WeakPolarHBondContact CE-OD2 3.33Å; K7-D11 VanDerWaalsContact CG-OD2 3.3Å; K7-D11 WeakPolarHBondContact CG-OD2 3.49Å; K7-D11 WeakPolarHBondContact O-CB 3.48Å; K7-D11 VanDerWaalsContact O-CG 3.25Å; K7-D11 PolarHBondContact O-N 3.38Å; D11-S16 VanDerWaalsContact O-CB 3.32Å; D11-S16 WeakPolarHBondContact O-CB 3.38Å
12	S	75.2	Confident	71.7	Confident	89 Å²	89	96.3 Å²	96.3	62%	0.622	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.2	172.7	74.4	0	0	0	0	115	A8 W9 L10	A8-S12 WeakPolarHBondContact O-CB 2.93Å; A8-S12 PolarHBondContact O-N 3.25Å; A8-S12 PolarHBondContact O-OG 3.07Å; W9-S12 WeakPolarHBondContact CA-OG 3.17Å; W9-S12 CarbonylContact O-C 3.6Å; W9-S12 PolarHBondContact O-N 2.62Å; W9-S12 PolarHBondContact O-OG 3.27Å; L10-S12 PolarHBondContact O-N 3.49Å
13	S	74	Confident	73.7	Confident	18 Å²	18	89.5 Å²	89.5	13%	0.126	50%	0.504	C	S	.	.	S	Bend	trans	-71.1	155.3	-173.3	-175.1	0	0	0	0	112.1	W9 L10 L15 S16 N19	W9-S13 PolarHBondContact O-N 2.89Å; L10-S13 WeakPolarHBondContact O-CB 3.41Å; L10-S13 PolarHBondContact O-N 3.17Å; S13-L15 PolarHBondContact O-N 2.85Å; S13-L15 PolarHBondContact OG-N 3.09Å; S13-L15 VanDerWaalsContact OG-N 3.14Å; S13-S16 WeakPolarHBondContact O-CB 3.04Å; S13-S16 PolarHBondContact O-N 2.93Å; S13-S16 PolarHBondContact O-OG 3.24Å; S13-N19 PolarHBondContact O-ND2 2.83Å
14	Y	74.1	Confident	75.1	Confident	131 Å²	131	84.4 Å²	84.4	51%	0.514	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24	165.5	72.1	-85.5	0	0	0	111.8	N19 W41	Y14-N19 WeakPolarHBondContact O-CB 3.24Å; Y14-N19 PolarHBondContact O-ND2 2.8Å; Y14-W41 AromaticContact CD2-CH2 3.58Å; Y14-W41 HydrophobicContact CD2-CH2 3.58Å; Y14-W41 AromaticContact CD2-CZ2 3.56Å; Y14-W41 HydrophobicContact CD2-CZ2 3.56Å; Y14-W41 AromaticContact CE2-CH2 3.69Å; Y14-W41 HydrophobicContact CE2-CH2 3.69Å; Y14-W41 AromaticContact CE2-CZ2 3.89Å; Y14-W41 HydrophobicContact CE2-CZ2 3.89Å; Y14-W41 HydrophobicContact CE2-CZ3 4.43Å
15	L	75.9	Confident	76.3	Confident	97 Å²	97	85 Å²	85	51%	0.508	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.7	171.7	-58.3	178.7	0	0	0	114.2	S13 I23 W41	S13-L15 PolarHBondContact O-N 2.85Å; S13-L15 PolarHBondContact OG-N 3.09Å; S13-L15 VanDerWaalsContact OG-N 3.14Å; L15-I23 HydrophobicContact CD2-CD1 4.04Å; L15-W41 HydrophobicContact CD2-CH2 4.07Å; L15-W41 HydrophobicContact CD2-CZ3 4.42Å
16	S	77.5	Confident	77.2	Confident	14 Å²	14	82.9 Å²	82.9	10%	0.098	45%	0.448	C	S	.	.	S	Bend	trans	-63.8	151.5	176.5	62.8	0	0	0	0	111.5	L10 D11 S13 A18 N19	L10-S16 WeakPolarHBondContact O-CB 3.49Å; D11-S16 VanDerWaalsContact O-CB 3.32Å; D11-S16 WeakPolarHBondContact O-CB 3.38Å; S13-S16 WeakPolarHBondContact O-CB 3.04Å; S13-S16 PolarHBondContact O-N 2.93Å; S13-S16 PolarHBondContact O-OG 3.24Å; S16-A18 PolarHBondContact O-N 2.95Å; S16-N19 PolarHBondContact O-N 2.97Å
17	G	74.3	Confident	78.1	Confident	65 Å²	65	80 Å²	80	67%	0.67	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-60.1	-20.5	179.6	0	0	0	0	0	114.2	N19 Q20	G17-N19 PolarHBondContact O-N 3.02Å; G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 PolarHBondContact O-N 3.11Å
18	A	79.8	Confident	79.1	Confident	87 Å²	87	74.3 Å²	74.3	72%	0.719	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-64.5	-27.9	172.5	0	0	0	0	0	113	S16	S16-A18 PolarHBondContact O-N 2.95Å
19	N	82.4	Confident	79.8	Confident	56 Å²	56	73.9 Å²	73.9	30%	0.299	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-92.9	-0.3	-179.4	-64.3	-18.5	0	0	0	113.4	S13 Y14 S16 G17 S21 W22 I23	S13-N19 PolarHBondContact O-ND2 2.83Å; Y14-N19 WeakPolarHBondContact O-CB 3.24Å; Y14-N19 PolarHBondContact O-ND2 2.8Å; S16-N19 PolarHBondContact O-N 2.97Å; G17-N19 PolarHBondContact O-N 3.02Å; N19-S21 VanDerWaalsContact C-N 3.32Å; N19-S21 PolarHBondContact O-N 2.6Å; N19-W22 WeakPolarHBondContact O-CB 3.44Å; N19-W22 PolarHBondContact O-N 3.28Å; N19-I23 HydrophobicContact CB-CD1 4.17Å; N19-I23 HydrophobicContact CB-CG1 4.41Å; N19-I23 PolarHBondContact O-N 3.18Å
20	Q	82.7	Confident	80.7	Confident	115 Å²	115	66.9 Å²	66.9	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-49.5	-49.2	-171.8	-179.1	-173.7	-31.4	0	0	112.7	G17 W22 I23 E24	G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 PolarHBondContact O-N 3.11Å; Q20-W22 VanDerWaalsContact C-N 3.25Å; Q20-W22 PolarHBondContact O-N 3.14Å; Q20-I23 PolarHBondContact O-N 2.73Å; Q20-E24 HydrophobicContact CG-CG 4.39Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.45Å; Q20-E24 PolarHBondContact NE2-OE1 2.6Å; Q20-E24 WeakPolarHBondContact O-CB 3.31Å; Q20-E24 WeakPolarHBondContact O-CG 3.41Å; Q20-E24 PolarHBondContact O-N 2.66Å
21	S	81.8	Confident	81.8	Confident	80 Å²	80	65 Å²	65	56%	0.559	36%	0.358	S	S	*	.	H	α-helix	trans	-66.9	-22.4	-177.9	53.5	0	0	0	0	114.4	N19 Q25	N19-S21 VanDerWaalsContact C-N 3.32Å; N19-S21 PolarHBondContact O-N 2.6Å; S21-Q25 PolarHBondContact O-N 3.17Å
22	W	84.4	Confident	82.5	Confident	125 Å²	125	65.1 Å²	65.1	47%	0.473	36%	0.363	S	S	.	.	H	α-helix	trans	-82.9	-40.4	174	173.1	73.8	0	0	0	111.3	N19 Q20 E24 Q25 L26 W41	N19-W22 WeakPolarHBondContact O-CB 3.44Å; N19-W22 PolarHBondContact O-N 3.28Å; Q20-W22 VanDerWaalsContact C-N 3.25Å; Q20-W22 PolarHBondContact O-N 3.14Å; W22-E24 VanDerWaalsContact C-N 3.34Å; W22-Q25 PolarHBondContact O-N 2.93Å; W22-L26 HydrophobicContact CH2-CD2 4.22Å; W22-L26 HydrophobicContact CZ2-CD2 4.17Å; W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.26Å; W22-W41 AromaticContact CH2-CE2 3.83Å; W22-W41 AromaticContact CH2-CZ2 3.59Å; W22-W41 HydrophobicContact CH2-CZ2 3.59Å; W22-W41 AromaticContact CH2-NE1 3.81Å; W22-W41 HydrophobicContact CZ3-CH2 4.1Å; W22-W41 AromaticContact CZ3-CZ2 3.51Å; W22-W41 HydrophobicContact CZ3-CZ2 3.51Å
23	I	87.6	Confident	83.1	Confident	34 Å²	34	64.5 Å²	64.5	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-39.9	174.1	-57	167.1	0	0	0	110.7	L15 N19 Q20 L26 Y27 W41 F45	L15-I23 HydrophobicContact CD2-CD1 4.04Å; N19-I23 HydrophobicContact CB-CD1 4.17Å; N19-I23 HydrophobicContact CB-CG1 4.41Å; N19-I23 PolarHBondContact O-N 3.18Å; Q20-I23 PolarHBondContact O-N 2.73Å; I23-L26 PolarHBondContact O-N 3.37Å; I23-Y27 WeakPolarHBondContact O-CB 3.2Å; I23-Y27 PolarHBondContact O-N 2.89Å; I23-W41 HydrophobicContact CG1-CH2 4.14Å; I23-W41 HydrophobicContact CG2-CH2 4.47Å; I23-W41 HydrophobicContact CG2-CZ3 4.16Å; I23-F45 HydrophobicContact CG2-CE1 4.35Å
24	E	85	Confident	83.6	Confident	32 Å²	32	66.5 Å²	66.5	15%	0.15	37%	0.365	C	S	.	.	H	α-helix	trans	-56.2	-50.9	173.2	-78.3	176.7	-163.6	0	0	111.7	Q20 W22 L26 Y27 E28 H59 R63	Q20-E24 HydrophobicContact CG-CG 4.39Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.45Å; Q20-E24 PolarHBondContact NE2-OE1 2.6Å; Q20-E24 WeakPolarHBondContact O-CB 3.31Å; Q20-E24 WeakPolarHBondContact O-CG 3.41Å; Q20-E24 PolarHBondContact O-N 2.66Å; W22-E24 VanDerWaalsContact C-N 3.34Å; E24-L26 PolarHBondContact O-N 3.16Å; E24-Y27 PolarHBondContact O-N 3.05Å; E24-E28 PolarHBondContact O-N 2.75Å; E24-H59 VanDerWaalsContact CD-CE1 3.46Å; E24-H59 IonicContact OE1-CE1 3.86Å; E24-H59 PolarHBondContact OE1-CE1 3.11Å; E24-H59 IonicContact OE1-ND1 3.83Å; E24-H59 PolarHBondContact OE1-ND1 3.22Å; E24-H59 IonicContact OE2-CE1 2.74Å; E24-H59 PolarHBondContact OE2-CE1 2.95Å; E24-H59 VanDerWaalsContact OE2-CE1 3.27Å; E24-H59 IonicContact OE2-ND1 2.79Å; E24-H59 PolarHBondContact OE2-ND1 3.04Å; E24-R63 IonicContact OE2-CZ 2.67Å; E24-R63 IonicContact OE2-NH1 2.98Å; E24-R63 PolarHBondContact OE2-NH1 3.1Å
25	Q	86.2	Confident	84.3	Confident	101 Å²	101	65.6 Å²	65.6	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-46.6	177.9	-177.7	62.1	58.8	0	0	111.1	S21 W22 Y27 E28 D29	S21-Q25 PolarHBondContact O-N 3.17Å; W22-Q25 PolarHBondContact O-N 2.93Å; Q25-Y27 VanDerWaalsContact C-N 3.26Å; Q25-Y27 PolarHBondContact O-N 2.81Å; Q25-E28 CarbonylContact O-C 3.54Å; Q25-E28 WeakPolarHBondContact O-CB 3.33Å; Q25-E28 PolarHBondContact O-N 2.7Å; Q25-D29 PolarHBondContact NE2-OD1 3.02Å; Q25-D29 PolarHBondContact O-N 3.25Å
26	L	88.9	Confident	84.8	Confident	26 Å²	26	64.2 Å²	64.2	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-31.8	-178.7	-158.3	76.3	0	0	0	112.6	W22 I23 E24 F30 V37 W41 F45	W22-L26 HydrophobicContact CH2-CD2 4.22Å; W22-L26 HydrophobicContact CZ2-CD2 4.17Å; W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.26Å; I23-L26 PolarHBondContact O-N 3.37Å; E24-L26 PolarHBondContact O-N 3.16Å; L26-F30 PolarHBondContact O-N 2.89Å; L26-F30 VanDerWaalsContact O-N 3.1Å; L26-V37 HydrophobicContact CD1-CG1 4.04Å; L26-V37 HydrophobicContact CG-CG1 4Å; L26-V37 WeakPolarHBondContact O-CG1 3.45Å; L26-W41 HydrophobicContact CD2-CB 3.91Å; L26-W41 HydrophobicContact CD2-CD2 3.35Å; L26-W41 HydrophobicContact CD2-CE3 3.88Å; L26-W41 HydrophobicContact CD2-CG 3.35Å; L26-W41 HydrophobicContact CD2-CZ2 4.37Å; L26-F45 HydrophobicContact CB-CE2 4.41Å; L26-F45 HydrophobicContact CB-CZ 4.27Å; L26-F45 HydrophobicContact CD2-CE2 4.29Å; L26-F45 HydrophobicContact CD2-CZ 4.29Å; L26-F45 HydrophobicContact CG-CE2 4.2Å; L26-F45 HydrophobicContact CG-CZ 4.41Å; L26-F45 WeakPolarHBondContact O-CE2 3.39Å
27	Y	88.7	Confident	85.3	Confident	53 Å²	53	63.8 Å²	63.8	21%	0.208	36%	0.364	C	S	.	.	H	α-helix	trans	-73.1	-34.6	173.1	-177.3	-118.3	0	0	0	112.1	I23 E24 Q25 F30 L31 F45 L48 D56	I23-Y27 WeakPolarHBondContact O-CB 3.2Å; I23-Y27 PolarHBondContact O-N 2.89Å; E24-Y27 PolarHBondContact O-N 3.05Å; Q25-Y27 VanDerWaalsContact C-N 3.26Å; Q25-Y27 PolarHBondContact O-N 2.81Å; Y27-F30 AromaticContact CD2-CD1 3.94Å; Y27-F30 HydrophobicContact CD2-CD1 3.94Å; Y27-F30 AromaticContact CE2-CD1 3.95Å; Y27-F30 HydrophobicContact CE2-CD1 3.95Å; Y27-F30 HydrophobicContact CE2-CE1 4.18Å; Y27-F30 WeakPolarHBondContact O-CB 3.26Å; Y27-F30 PolarHBondContact O-N 3.47Å; Y27-L31 HydrophobicContact CD1-CD1 4.09Å; Y27-L31 HydrophobicContact CE1-CD1 3.74Å; Y27-L31 HydrophobicContact CE1-CG 4.24Å; Y27-L31 HydrophobicContact CE2-CG 4.46Å; Y27-L31 WeakPolarHBondContact O-CG 3.49Å; Y27-L31 PolarHBondContact O-N 3.19Å; Y27-F45 HydrophobicContact CD2-CB 4.12Å; Y27-F45 AromaticContact CD2-CD1 3.63Å; Y27-F45 HydrophobicContact CD2-CD1 3.63Å; Y27-F45 HydrophobicContact CD2-CD2 4.15Å; Y27-F45 AromaticContact CD2-CE1 3.97Å; Y27-F45 HydrophobicContact CD2-CE1 3.97Å; Y27-F45 HydrophobicContact CD2-CE2 4.45Å; Y27-F45 AromaticContact CD2-CG 3.73Å; Y27-F45 HydrophobicContact CD2-CG 3.73Å; Y27-F45 HydrophobicContact CD2-CZ 4.36Å; Y27-F45 HydrophobicContact CE2-CB 4.28Å; Y27-F45 HydrophobicContact CE2-CD1 4.36Å; Y27-F45 HydrophobicContact CE2-CG 4.37Å; Y27-F45 HydrophobicContact CG-CD1 4.44Å; Y27-F45 HydrophobicContact CG-CE1 4.35Å; Y27-L48 HydrophobicContact CD2-CD1 4.34Å; Y27-L48 HydrophobicContact CE2-CD1 3.87Å; Y27-D56 PolarHBondContact OH-OD2 3.49Å
28	E	86.7	Confident	86	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-69.9	-34.7	171.9	-71.4	-171.5	-133.9	0	0	113.2	E24 Q25 F30 L31 T32 F58 H59 S60	E24-E28 PolarHBondContact O-N 2.75Å; Q25-E28 CarbonylContact O-C 3.54Å; Q25-E28 WeakPolarHBondContact O-CB 3.33Å; Q25-E28 PolarHBondContact O-N 2.7Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-L31 PolarHBondContact O-N 2.77Å; E28-T32 PolarHBondContact O-N 3.49Å; E28-T32 PolarHBondContact O-OG1 3.01Å; E28-F58 HydrophobicContact CB-CD1 3.98Å; E28-F58 HydrophobicContact CB-CE1 4.37Å; E28-F58 HydrophobicContact CG-CD1 3.94Å; E28-F58 WeakPolarHBondContact O-CE1 3.46Å; E28-H59 WeakPolarHBondContact OE1-CA 3.34Å; E28-H59 WeakPolarHBondContact OE1-CB 3.37Å; E28-H59 PolarHBondContact OE1-N 2.88Å; E28-S60 VanDerWaalsContact CD-N 3.34Å; E28-S60 PolarHBondContact OE1-N 3.09Å; E28-S60 WeakPolarHBondContact OE2-CB 3.17Å; E28-S60 PolarHBondContact OE2-N 3.08Å; E28-S60 PolarHBondContact OE2-OG 3.16Å
29	D	87.4	Confident	86.3	Confident	53 Å²	53	64 Å²	64	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-46.8	171.1	-59.4	-24.4	0	0	0	109.3	Q25 L31 T32 D33 S36 V37	Q25-D29 PolarHBondContact NE2-OD1 3.02Å; Q25-D29 PolarHBondContact O-N 3.25Å; D29-L31 PolarHBondContact O-N 2.71Å; D29-T32 WeakPolarHBondContact O-CB 3.49Å; D29-T32 PolarHBondContact O-N 2.8Å; D29-T32 VanDerWaalsContact O-N 3.09Å; D29-D33 CarbonylContact O-C 3.51Å; D29-D33 PolarHBondContact O-N 2.67Å; D29-D33 VanDerWaalsContact O-O 3.11Å; D29-S36 PolarHBondContact O-OG 3.24Å; D29-S36 VanDerWaalsContact O-OG 3.13Å; D29-V37 HydrophobicContact CB-CG1 3.95Å
30	F	89.1	Confident	86.5	Confident	26 Å²	26	66.8 Å²	66.8	11%	0.114	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-37.2	172.8	169.8	-95.7	0	0	0	114.3	L26 Y27 E28 T32 D33 P34 V37 R42 F45 Q46	L26-F30 PolarHBondContact O-N 2.89Å; L26-F30 VanDerWaalsContact O-N 3.1Å; Y27-F30 AromaticContact CD2-CD1 3.94Å; Y27-F30 HydrophobicContact CD2-CD1 3.94Å; Y27-F30 AromaticContact CE2-CD1 3.95Å; Y27-F30 HydrophobicContact CE2-CD1 3.95Å; Y27-F30 HydrophobicContact CE2-CE1 4.18Å; Y27-F30 WeakPolarHBondContact O-CB 3.26Å; Y27-F30 PolarHBondContact O-N 3.47Å; E28-F30 VanDerWaalsContact C-N 3.34Å; F30-T32 VanDerWaalsContact C-N 3.29Å; F30-D33 CarbonylContact O-C 3.48Å; F30-P34 HydrophobicContact CD2-CB 4.01Å; F30-P34 HydrophobicContact CE2-CB 4.01Å; F30-P34 HydrophobicContact CE2-CG 4.46Å; F30-P34 WeakPolarHBondContact O-CD 3.22Å; F30-P34 WeakPolarHBondContact O-CG 3.35Å; F30-V37 HydrophobicContact CB-CG1 4.07Å; F30-V37 HydrophobicContact CB-CG2 3.93Å; F30-V37 HydrophobicContact CD2-CG2 3.85Å; F30-V37 HydrophobicContact CG-CG2 4.38Å; F30-R42 HydrophobicContact CD2-CG 4.26Å; F30-R42 HydrophobicContact CE2-CG 4.01Å; F30-F45 HydrophobicContact CB-CD2 3.69Å; F30-F45 HydrophobicContact CB-CE2 4.11Å; F30-F45 HydrophobicContact CD1-CB 3.74Å; F30-F45 HydrophobicContact CD1-CD2 4.05Å; F30-F45 HydrophobicContact CD1-CG 4.21Å; F30-F45 HydrophobicContact CD2-CB 4.16Å; F30-F45 HydrophobicContact CD2-CD2 4.04Å; F30-F45 HydrophobicContact CE1-CB 3.6Å; F30-F45 HydrophobicContact CE2-CB 4.02Å; F30-F45 HydrophobicContact CG-CB 4.02Å; F30-F45 AromaticContact CG-CD2 3.67Å; F30-F45 HydrophobicContact CG-CD2 3.67Å; F30-F45 HydrophobicContact CG-CG 4.25Å; F30-F45 HydrophobicContact CZ-CB 3.75Å; F30-Q46 HydrophobicContact CE2-CG 4.16Å; F30-Q46 HydrophobicContact CZ-CG 4Å
31	L	86.4	Confident	86.8	Confident	50 Å²	50	63 Å²	63	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-72	-22.1	174.2	-72.7	176.7	0	0	0	113	Y27 E28 D29 D56 F58	Y27-L31 HydrophobicContact CD1-CD1 4.09Å; Y27-L31 HydrophobicContact CE1-CD1 3.74Å; Y27-L31 HydrophobicContact CE1-CG 4.24Å; Y27-L31 HydrophobicContact CE2-CG 4.46Å; Y27-L31 WeakPolarHBondContact O-CG 3.49Å; Y27-L31 PolarHBondContact O-N 3.19Å; E28-L31 PolarHBondContact O-N 2.77Å; D29-L31 PolarHBondContact O-N 2.71Å; L31-D56 HydrophobicContact CD1-CB 4.39Å; L31-D56 HydrophobicContact CD2-CB 4.2Å; L31-F58 HydrophobicContact CB-CE1 3.83Å; L31-F58 HydrophobicContact CB-CZ 3.85Å
32	T	85.1	Confident	87	Confident	104 Å²	104	62.1 Å²	62.1	64%	0.638	33%	0.327	S	S	*	.	H	α-helix	trans	-82.8	-49.4	175.2	-53.9	0	0	0	0	110.9	E28 D29 F30 F58	E28-T32 PolarHBondContact O-N 3.49Å; E28-T32 PolarHBondContact O-OG1 3.01Å; D29-T32 WeakPolarHBondContact O-CB 3.49Å; D29-T32 PolarHBondContact O-N 2.8Å; D29-T32 VanDerWaalsContact O-N 3.09Å; F30-T32 VanDerWaalsContact C-N 3.29Å; T32-F58 WeakPolarHBondContact OG1-CE1 3.25Å
33	D	86.4	Confident	87.1	Confident	76 Å²	76	59 Å²	59	41%	0.406	32%	0.324	S	S	.	.			trans	-153.1	109.5	178.7	175.2	11.7	0	0	0	109.1	D29 F30 D35 S36	D29-D33 CarbonylContact O-C 3.51Å; D29-D33 PolarHBondContact O-N 2.67Å; D29-D33 VanDerWaalsContact O-O 3.11Å; F30-D33 CarbonylContact O-C 3.48Å; D33-D35 PolarHBondContact O-N 3.12Å; D33-D35 VanDerWaalsContact O-N 3.11Å; D33-D35 WeakPolarHBondContact OD1-CB 3.5Å; D33-D35 PolarHBondContact OD1-N 3.02Å; D33-S36 VanDerWaalsContact O-CB 3.31Å; D33-S36 WeakPolarHBondContact O-CB 3.36Å; D33-S36 PolarHBondContact O-N 3.36Å; D33-S36 PolarHBondContact O-OG 2.92Å
34	P	86.2	Confident	87	Confident	59 Å²	59	59.9 Å²	59.9	38%	0.383	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23.5	176.1	-26.6	35.5	0	0	0	114.2	F30 S36 V37 R42	F30-P34 HydrophobicContact CD2-CB 4.01Å; F30-P34 HydrophobicContact CE2-CB 4.01Å; F30-P34 HydrophobicContact CE2-CG 4.46Å; F30-P34 WeakPolarHBondContact O-CD 3.22Å; F30-P34 WeakPolarHBondContact O-CG 3.35Å; P34-S36 VanDerWaalsContact C-N 3.35Å; P34-V37 WeakPolarHBondContact O-CG2 3.49Å; P34-R42 WeakPolarHBondContact O-CD 3.45Å; P34-R42 VanDerWaalsContact O-CZ 3.31Å; P34-R42 PolarHBondContact O-NE 2.91Å
35	D	88	Confident	87.2	Confident	113 Å²	113	59 Å²	59	60%	0.604	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-78.1	-16.5	176.4	-91.5	-61.1	0	0	0	113.9	D33 V37 R42	D33-D35 PolarHBondContact O-N 3.12Å; D33-D35 VanDerWaalsContact O-N 3.11Å; D33-D35 WeakPolarHBondContact OD1-CB 3.5Å; D33-D35 PolarHBondContact OD1-N 3.02Å; D35-V37 VanDerWaalsContact C-N 3.28Å; D35-V37 PolarHBondContact O-N 3.04Å; D35-R42 PolarHBondContact O-NH2 3.39Å; D35-R42 IonicContact OD1-CZ 3.93Å; D35-R42 VanDerWaalsContact OD1-CZ 3.27Å; D35-R42 IonicContact OD1-NH1 3.76Å; D35-R42 PolarHBondContact OD1-NH1 3.32Å; D35-R42 IonicContact OD1-NH2 3.45Å; D35-R42 PolarHBondContact OD1-NH2 2.53Å
36	S	87.4	Confident	87.1	Confident	68 Å²	68	60.5 Å²	60.5	48%	0.476	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-69.6	-21.9	177.4	72.1	0	0	0	0	114.2	D29 D33 P34	D29-S36 PolarHBondContact O-OG 3.24Å; D29-S36 VanDerWaalsContact O-OG 3.13Å; D33-S36 VanDerWaalsContact O-CB 3.31Å; D33-S36 WeakPolarHBondContact O-CB 3.36Å; D33-S36 PolarHBondContact O-N 3.36Å; D33-S36 PolarHBondContact O-OG 2.92Å; P34-S36 VanDerWaalsContact C-N 3.35Å
37	V	87	Confident	86.9	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.03	36%	0.36	C	S	.	.	S	Bend	trans	-101.7	150.2	-179.6	-63.2	0	0	0	0	112.8	L26 D29 F30 P34 D35 R42	L26-V37 HydrophobicContact CD1-CG1 4.04Å; L26-V37 HydrophobicContact CG-CG1 4Å; L26-V37 WeakPolarHBondContact O-CG1 3.45Å; D29-V37 HydrophobicContact CB-CG1 3.95Å; F30-V37 HydrophobicContact CB-CG1 4.07Å; F30-V37 HydrophobicContact CB-CG2 3.93Å; F30-V37 HydrophobicContact CD2-CG2 3.85Å; F30-V37 HydrophobicContact CG-CG2 4.38Å; P34-V37 WeakPolarHBondContact O-CG2 3.49Å; D35-V37 VanDerWaalsContact C-N 3.28Å; D35-V37 PolarHBondContact O-N 3.04Å; V37-R42 HydrophobicContact CG2-CB 4.05Å; V37-R42 HydrophobicContact CG2-CG 4.4Å; V37-R42 PolarHBondContact O-NE 3.13Å; V37-R42 PolarHBondContact O-NH2 2.84Å
38	D	88.1	Confident	86.5	Confident	92 Å²	92	68.1 Å²	68.1	49%	0.492	37%	0.373	S	S	.	.			trans	-55	147.5	174.8	174.1	-102.9	0	0	0	112.5	N40 W41 R42	D38-N40 PolarHBondContact O-N 3.08Å; D38-N40 VanDerWaalsContact O-N 3.16Å; D38-N40 VanDerWaalsContact OD1-CB 3.29Å; D38-N40 WeakPolarHBondContact OD1-CB 3.08Å; D38-N40 PolarHBondContact OD1-N 3.46Å; D38-N40 PolarHBondContact OD1-ND2 2.9Å; D38-W41 PolarHBondContact O-N 3.38Å; D38-R42 PolarHBondContact O-N 3.18Å
39	A	86.1	Confident	85.6	Confident	63 Å²	63	73.4 Å²	73.4	52%	0.521	41%	0.408	S	S	.	.	H	α-helix	trans	-57.2	-33.3	-174.1	0	0	0	0	0	113.8	S43	A39-S43 WeakPolarHBondContact O-CB 3.07Å; A39-S43 PolarHBondContact O-N 3.17Å
40	N	87.8	Confident	84.3	Confident	115 Å²	115	73.1 Å²	73.1	62%	0.615	42%	0.418	S	S	*	.	H	α-helix	trans	-68.6	-41.1	178.4	-58.8	-80.7	0	0	0	111.2	D38 T44	D38-N40 PolarHBondContact O-N 3.08Å; D38-N40 VanDerWaalsContact O-N 3.16Å; D38-N40 VanDerWaalsContact OD1-CB 3.29Å; D38-N40 WeakPolarHBondContact OD1-CB 3.08Å; D38-N40 PolarHBondContact OD1-N 3.46Å; D38-N40 PolarHBondContact OD1-ND2 2.9Å; N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 3.38Å; N40-T44 PolarHBondContact O-OG1 3.15Å
41	W	88.1	Confident	82.5	Confident	35 Å²	35	76.7 Å²	76.7	13%	0.133	44%	0.442	C	S	.	.	H	α-helix	trans	-71.9	-41	177.2	-77.8	103.5	0	0	0	112.3	Y14 L15 W22 I23 L26 D38 S43 T44 F45	Y14-W41 AromaticContact CD2-CH2 3.58Å; Y14-W41 HydrophobicContact CD2-CH2 3.58Å; Y14-W41 AromaticContact CD2-CZ2 3.56Å; Y14-W41 HydrophobicContact CD2-CZ2 3.56Å; Y14-W41 AromaticContact CE2-CH2 3.69Å; Y14-W41 HydrophobicContact CE2-CH2 3.69Å; Y14-W41 AromaticContact CE2-CZ2 3.89Å; Y14-W41 HydrophobicContact CE2-CZ2 3.89Å; Y14-W41 HydrophobicContact CE2-CZ3 4.43Å; L15-W41 HydrophobicContact CD2-CH2 4.07Å; L15-W41 HydrophobicContact CD2-CZ3 4.42Å; W22-W41 AromaticContact CH2-CE2 3.83Å; W22-W41 AromaticContact CH2-CZ2 3.59Å; W22-W41 HydrophobicContact CH2-CZ2 3.59Å; W22-W41 AromaticContact CH2-NE1 3.81Å; W22-W41 HydrophobicContact CZ3-CH2 4.1Å; W22-W41 AromaticContact CZ3-CZ2 3.51Å; W22-W41 HydrophobicContact CZ3-CZ2 3.51Å; I23-W41 HydrophobicContact CG1-CH2 4.14Å; I23-W41 HydrophobicContact CG2-CH2 4.47Å; I23-W41 HydrophobicContact CG2-CZ3 4.16Å; L26-W41 HydrophobicContact CD2-CB 3.91Å; L26-W41 HydrophobicContact CD2-CD2 3.35Å; L26-W41 HydrophobicContact CD2-CE3 3.88Å; L26-W41 HydrophobicContact CD2-CG 3.35Å; L26-W41 HydrophobicContact CD2-CZ2 4.37Å; D38-W41 PolarHBondContact O-N 3.38Å; W41-S43 VanDerWaalsContact C-N 3.32Å; W41-S43 PolarHBondContact O-N 3.1Å; W41-T44 WeakPolarHBondContact O-CB 3.48Å; W41-T44 PolarHBondContact O-N 3.33Å; W41-F45 HydrophobicContact CB-CD2 4.44Å; W41-F45 HydrophobicContact CB-CE2 4.12Å; W41-F45 HydrophobicContact CD2-CZ 4.41Å; W41-F45 AromaticContact CE3-CE1 3.8Å; W41-F45 HydrophobicContact CE3-CE1 3.8Å; W41-F45 HydrophobicContact CE3-CE2 4.02Å; W41-F45 AromaticContact CE3-CZ 3.5Å; W41-F45 HydrophobicContact CE3-CZ 3.5Å; W41-F45 VanDerWaalsContact CE3-CZ 3.5Å; W41-F45 HydrophobicContact CZ3-CE1 4.01Å; W41-F45 AromaticContact CZ3-CZ 3.98Å; W41-F45 HydrophobicContact CZ3-CZ 3.98Å; W41-F45 VanDerWaalsContact O-CD2 3.3Å; W41-F45 WeakPolarHBondContact O-CD2 3.46Å; W41-F45 WeakPolarHBondContact O-CG 3.18Å; W41-F45 PolarHBondContact O-N 3.38Å
42	R	87	Confident	81	Confident	62 Å²	62	78.4 Å²	78.4	23%	0.234	47%	0.472	C	S	.	.	H	α-helix	trans	-54.4	-47.7	172.2	-159.9	-175.9	-53	-173.5	-2.5	111.9	F30 P34 D35 V37 D38 T44 Q46	F30-R42 HydrophobicContact CD2-CG 4.26Å; F30-R42 HydrophobicContact CE2-CG 4.01Å; P34-R42 WeakPolarHBondContact O-CD 3.45Å; P34-R42 VanDerWaalsContact O-CZ 3.31Å; P34-R42 PolarHBondContact O-NE 2.91Å; D35-R42 PolarHBondContact O-NH2 3.39Å; D35-R42 IonicContact OD1-CZ 3.93Å; D35-R42 VanDerWaalsContact OD1-CZ 3.27Å; D35-R42 IonicContact OD1-NH1 3.76Å; D35-R42 PolarHBondContact OD1-NH1 3.32Å; D35-R42 IonicContact OD1-NH2 3.45Å; D35-R42 PolarHBondContact OD1-NH2 2.53Å; V37-R42 HydrophobicContact CG2-CB 4.05Å; V37-R42 HydrophobicContact CG2-CG 4.4Å; V37-R42 PolarHBondContact O-NE 3.13Å; V37-R42 PolarHBondContact O-NH2 2.84Å; D38-R42 PolarHBondContact O-N 3.18Å; R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 PolarHBondContact O-N 2.96Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 WeakPolarHBondContact O-CG 3.25Å; R42-Q46 PolarHBondContact O-N 3.18Å
43	S	86.3	Confident	79.6	Confident	59 Å²	59	79.8 Å²	79.8	41%	0.413	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-33.3	176.2	-173.7	0	0	0	0	112.8	A39 W41 Q47	A39-S43 WeakPolarHBondContact O-CB 3.07Å; A39-S43 PolarHBondContact O-N 3.17Å; W41-S43 VanDerWaalsContact C-N 3.32Å; W41-S43 PolarHBondContact O-N 3.1Å; S43-Q47 WeakPolarHBondContact O-CG 3.48Å; S43-Q47 PolarHBondContact O-NE2 2.74Å
44	T	85.7	Confident	78.3	Confident	53 Å²	53	83.6 Å²	83.6	33%	0.325	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-47.5	176.9	-58.7	0	0	0	0	111.5	N40 W41 R42 Q46 Q47	N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 3.38Å; N40-T44 PolarHBondContact O-OG1 3.15Å; W41-T44 WeakPolarHBondContact O-CB 3.48Å; W41-T44 PolarHBondContact O-N 3.33Å; R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 PolarHBondContact O-N 2.96Å; T44-Q46 PolarHBondContact O-N 2.84Å; T44-Q47 PolarHBondContact O-N 3.06Å; T44-Q47 VanDerWaalsContact O-N 3.17Å
45	F	88.2	Confident	77.3	Confident	13 Å²	13	86.3 Å²	86.3	6%	0.057	51%	0.511	C	S	.	.	H	α-helix	trans	-69.3	-32.2	-180	-62	-40.7	0	0	0	112.7	I23 L26 Y27 F30 W41 Q47 L48	I23-F45 HydrophobicContact CG2-CE1 4.35Å; L26-F45 HydrophobicContact CB-CE2 4.41Å; L26-F45 HydrophobicContact CB-CZ 4.27Å; L26-F45 HydrophobicContact CD2-CE2 4.29Å; L26-F45 HydrophobicContact CD2-CZ 4.29Å; L26-F45 HydrophobicContact CG-CE2 4.2Å; L26-F45 HydrophobicContact CG-CZ 4.41Å; L26-F45 WeakPolarHBondContact O-CE2 3.39Å; Y27-F45 HydrophobicContact CD2-CB 4.12Å; Y27-F45 AromaticContact CD2-CD1 3.63Å; Y27-F45 HydrophobicContact CD2-CD1 3.63Å; Y27-F45 HydrophobicContact CD2-CD2 4.15Å; Y27-F45 AromaticContact CD2-CE1 3.97Å; Y27-F45 HydrophobicContact CD2-CE1 3.97Å; Y27-F45 HydrophobicContact CD2-CE2 4.45Å; Y27-F45 AromaticContact CD2-CG 3.73Å; Y27-F45 HydrophobicContact CD2-CG 3.73Å; Y27-F45 HydrophobicContact CD2-CZ 4.36Å; Y27-F45 HydrophobicContact CE2-CB 4.28Å; Y27-F45 HydrophobicContact CE2-CD1 4.36Å; Y27-F45 HydrophobicContact CE2-CG 4.37Å; Y27-F45 HydrophobicContact CG-CD1 4.44Å; Y27-F45 HydrophobicContact CG-CE1 4.35Å; F30-F45 HydrophobicContact CB-CD2 3.69Å; F30-F45 HydrophobicContact CB-CE2 4.11Å; F30-F45 HydrophobicContact CD1-CB 3.74Å; F30-F45 HydrophobicContact CD1-CD2 4.05Å; F30-F45 HydrophobicContact CD1-CG 4.21Å; F30-F45 HydrophobicContact CD2-CB 4.16Å; F30-F45 HydrophobicContact CD2-CD2 4.04Å; F30-F45 HydrophobicContact CE1-CB 3.6Å; F30-F45 HydrophobicContact CE2-CB 4.02Å; F30-F45 HydrophobicContact CG-CB 4.02Å; F30-F45 AromaticContact CG-CD2 3.67Å; F30-F45 HydrophobicContact CG-CD2 3.67Å; F30-F45 HydrophobicContact CG-CG 4.25Å; F30-F45 HydrophobicContact CZ-CB 3.75Å; W41-F45 HydrophobicContact CB-CD2 4.44Å; W41-F45 HydrophobicContact CB-CE2 4.12Å; W41-F45 HydrophobicContact CD2-CZ 4.41Å; W41-F45 AromaticContact CE3-CE1 3.8Å; W41-F45 HydrophobicContact CE3-CE1 3.8Å; W41-F45 HydrophobicContact CE3-CE2 4.02Å; W41-F45 AromaticContact CE3-CZ 3.5Å; W41-F45 HydrophobicContact CE3-CZ 3.5Å; W41-F45 VanDerWaalsContact CE3-CZ 3.5Å; W41-F45 HydrophobicContact CZ3-CE1 4.01Å; W41-F45 AromaticContact CZ3-CZ 3.98Å; W41-F45 HydrophobicContact CZ3-CZ 3.98Å; W41-F45 VanDerWaalsContact O-CD2 3.3Å; W41-F45 WeakPolarHBondContact O-CD2 3.46Å; W41-F45 WeakPolarHBondContact O-CG 3.18Å; W41-F45 PolarHBondContact O-N 3.38Å; F45-Q47 PolarHBondContact O-N 3.37Å; F45-L48 HydrophobicContact CD1-CD1 4.05Å; F45-L48 WeakPolarHBondContact O-CB 3.2Å; F45-L48 PolarHBondContact O-N 3.46Å; F45-L48 VanDerWaalsContact O-N 3.17Å
46	Q	84.5	Confident	76.5	Confident	133 Å²	133	84.4 Å²	84.4	62%	0.621	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.5	171.8	-76.3	172.4	-12.5	0	0	114.4	F30 R42 T44	F30-Q46 HydrophobicContact CE2-CG 4.16Å; F30-Q46 HydrophobicContact CZ-CG 4Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 WeakPolarHBondContact O-CG 3.25Å; R42-Q46 PolarHBondContact O-N 3.18Å; T44-Q46 PolarHBondContact O-N 2.84Å
47	Q	84.7	Confident	75.7	Confident	147 Å²	147	88.2 Å²	88.2	69%	0.687	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.4	176.1	-70.6	170.5	64.1	0	0	113.3	S43 T44 F45	S43-Q47 WeakPolarHBondContact O-CG 3.48Å; S43-Q47 PolarHBondContact O-NE2 2.74Å; T44-Q47 PolarHBondContact O-N 3.06Å; T44-Q47 VanDerWaalsContact O-N 3.17Å; F45-Q47 PolarHBondContact O-N 3.37Å
48	L	79.5	Confident	75.4	Confident	92 Å²	92	90.4 Å²	90.4	48%	0.482	52%	0.52	S	S	.	.	S	Bend	trans	-72.1	136.7	176.9	-65.2	175	0	0	0	110.8	Y27 F45 G50	Y27-L48 HydrophobicContact CD2-CD1 4.34Å; Y27-L48 HydrophobicContact CE2-CD1 3.87Å; F45-L48 HydrophobicContact CD1-CD1 4.05Å; F45-L48 WeakPolarHBondContact O-CB 3.2Å; F45-L48 PolarHBondContact O-N 3.46Å; F45-L48 VanDerWaalsContact O-N 3.17Å; L48-G50 VanDerWaalsContact C-N 3.35Å; L48-G50 PolarHBondContact O-N 3.19Å
49	P	67.8	Low	75	Confident	123 Å²	123	89.6 Å²	89.6	80%	0.799	51%	0.513	S	S	*	.			trans	-77	82.3	-176.8	31.7	-35.8	0	0	0	111.4	T51	P49-T51 PolarHBondContact O-N 3.19Å
50	G	61.5	Low	74.8	Confident	48 Å²	48	89.1 Å²	89.1	50%	0.495	51%	0.506	S	S	.	.			trans	-57.9	128.8	175.7	0	0	0	0	0	111.9	L48 G52	L48-G50 VanDerWaalsContact C-N 3.35Å; L48-G50 PolarHBondContact O-N 3.19Å; G50-G52 PolarHBondContact O-N 3.49Å
51	T	51.2	Low	74.4	Confident	100 Å²	100	89.7 Å²	89.7	61%	0.613	51%	0.505	S	S	*	.			trans	-71.3	102.8	175.5	55.8	0	0	0	0	109.1	P49 V53 K54	P49-T51 PolarHBondContact O-N 3.19Å; T51-V53 PolarHBondContact O-N 2.67Å; T51-K54 PolarHBondContact O-N 2.75Å
52	G	54.8	Low	73.9	Confident	86 Å²	86	90.2 Å²	90.2	89%	0.887	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	40.9	-169.8	0	0	0	0	0	117.4	G50	G50-G52 PolarHBondContact O-N 3.49Å
53	V	55.3	Low	73.6	Confident	134 Å²	134	92.4 Å²	92.4	81%	0.812	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-24.8	-178.8	-173.3	0	0	0	0	111	T51	T51-V53 PolarHBondContact O-N 2.67Å
54	K	58.6	Low	73.1	Confident	155 Å²	155	92.3 Å²	92.3	67%	0.674	51%	0.513	S	S	*	.	S	Bend	trans	-148.5	151.6	175.6	-66.9	-173.1	-179.2	177.3	0	110.7	T51	T51-K54 PolarHBondContact O-N 2.75Å
55	P	65.4	Low	72.5	Confident	116 Å²	116	96.7 Å²	96.7	75%	0.753	53%	0.525	S	S	*	.			trans	-66.4	148.8	166.1	30.2	-35	0	0	0	110.8
56	D	70.6	Confident	71.8	Confident	74 Å²	74	102.1 Å²	102.1	40%	0.396	55%	0.549	S	S	.	.			trans	-64.1	149.5	177.2	-66.3	-60.4	0	0	0	112	Y27 L31	Y27-D56 PolarHBondContact OH-OD2 3.49Å; L31-D56 HydrophobicContact CD1-CB 4.39Å; L31-D56 HydrophobicContact CD2-CB 4.2Å
57	Q	71.9	Confident	71.4	Confident	147 Å²	147	101 Å²	101	69%	0.687	54%	0.539	S	S	*	.			trans	-104.8	132.7	-172.5	-65	-171.7	-12.8	0	0	111.9	H59	Q57-H59 PolarHBondContact O-N 3.42Å
58	F	80.1	Confident	70.7	Confident	52 Å²	52	101.8 Å²	101.8	23%	0.228	54%	0.536	C	S	.	.			trans	-51	120.1	172.5	-70.1	-87.8	0	0	0	111.8	E28 L31 T32 S60 Q61 T62	E28-F58 HydrophobicContact CB-CD1 3.98Å; E28-F58 HydrophobicContact CB-CE1 4.37Å; E28-F58 HydrophobicContact CG-CD1 3.94Å; E28-F58 WeakPolarHBondContact O-CE1 3.46Å; L31-F58 HydrophobicContact CB-CE1 3.83Å; L31-F58 HydrophobicContact CB-CZ 3.85Å; T32-F58 WeakPolarHBondContact OG1-CE1 3.25Å; F58-S60 VanDerWaalsContact C-N 3.25Å; F58-S60 PolarHBondContact O-N 3.48Å; F58-Q61 HydrophobicContact CB-CB 4.06Å; F58-Q61 HydrophobicContact CB-CG 3.72Å; F58-Q61 VanDerWaalsContact CD2-NE2 3.32Å; F58-Q61 HydrophobicContact CG-CG 4.44Å; F58-Q61 PolarHBondContact O-N 3.15Å; F58-Q61 VanDerWaalsContact O-N 3.14Å; F58-T62 PolarHBondContact O-N 3.16Å
59	H	81	Confident	70	Confident	74 Å²	74	101.6 Å²	101.6	34%	0.343	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-30.7	179.4	-171.8	-148.3	0	0	0	111.3	E24 E28 Q57 Q61 T62 R63	E24-H59 VanDerWaalsContact CD-CE1 3.46Å; E24-H59 IonicContact OE1-CE1 3.86Å; E24-H59 PolarHBondContact OE1-CE1 3.11Å; E24-H59 IonicContact OE1-ND1 3.83Å; E24-H59 PolarHBondContact OE1-ND1 3.22Å; E24-H59 IonicContact OE2-CE1 2.74Å; E24-H59 PolarHBondContact OE2-CE1 2.95Å; E24-H59 VanDerWaalsContact OE2-CE1 3.27Å; E24-H59 IonicContact OE2-ND1 2.79Å; E24-H59 PolarHBondContact OE2-ND1 3.04Å; E28-H59 WeakPolarHBondContact OE1-CA 3.34Å; E28-H59 WeakPolarHBondContact OE1-CB 3.37Å; E28-H59 PolarHBondContact OE1-N 2.88Å; Q57-H59 PolarHBondContact O-N 3.42Å; H59-Q61 PolarHBondContact O-N 2.56Å; H59-T62 WeakPolarHBondContact O-CB 3.18Å; H59-T62 PolarHBondContact O-N 3Å; H59-R63 WeakPolarHBondContact O-CB 3.32Å; H59-R63 VanDerWaalsContact O-CG 3.22Å; H59-R63 WeakPolarHBondContact O-CG 3.41Å; H59-R63 PolarHBondContact O-N 3.31Å
60	S	80.3	Confident	69.9	Low	53 Å²	53	99 Å²	99	37%	0.371	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-37.8	172.1	68.3	0	0	0	0	112.9	E28 F58 R63 E64	E28-S60 VanDerWaalsContact CD-N 3.34Å; E28-S60 PolarHBondContact OE1-N 3.09Å; E28-S60 WeakPolarHBondContact OE2-CB 3.17Å; E28-S60 PolarHBondContact OE2-N 3.08Å; E28-S60 PolarHBondContact OE2-OG 3.16Å; F58-S60 VanDerWaalsContact C-N 3.25Å; F58-S60 PolarHBondContact O-N 3.48Å; S60-R63 PolarHBondContact O-N 3.32Å; S60-E64 WeakPolarHBondContact O-CB 3.28Å; S60-E64 PolarHBondContact O-N 3.15Å
61	Q	79.9	Confident	70.1	Confident	127 Å²	127	104.4 Å²	104.4	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-42.2	174.9	-67.1	-175.9	28.2	0	0	110.7	F58 H59 E64 Y65	F58-Q61 HydrophobicContact CB-CB 4.06Å; F58-Q61 HydrophobicContact CB-CG 3.72Å; F58-Q61 VanDerWaalsContact CD2-NE2 3.32Å; F58-Q61 HydrophobicContact CG-CG 4.44Å; F58-Q61 PolarHBondContact O-N 3.15Å; F58-Q61 VanDerWaalsContact O-N 3.14Å; H59-Q61 PolarHBondContact O-N 2.56Å; Q61-E64 PolarHBondContact O-N 2.86Å; Q61-Y65 VanDerWaalsContact O-CB 3.28Å; Q61-Y65 WeakPolarHBondContact O-CB 3.42Å; Q61-Y65 PolarHBondContact O-N 2.98Å
62	T	78.7	Confident	70.2	Confident	46 Å²	46	101.9 Å²	101.9	28%	0.282	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-47.1	174	-61.1	0	0	0	0	111.7	F58 H59 E64 Y65 F66	F58-T62 PolarHBondContact O-N 3.16Å; H59-T62 WeakPolarHBondContact O-CB 3.18Å; H59-T62 PolarHBondContact O-N 3Å; T62-E64 PolarHBondContact O-N 2.88Å; T62-Y65 WeakPolarHBondContact O-CB 3.37Å; T62-Y65 PolarHBondContact O-N 3.45Å; T62-F66 HydrophobicContact CG2-CD2 3.89Å; T62-F66 HydrophobicContact CG2-CE2 3.66Å; T62-F66 WeakPolarHBondContact O-CD2 3.44Å; T62-F66 PolarHBondContact O-N 2.86Å
63	R	79.4	Confident	70	Confident	109 Å²	109	101.8 Å²	101.8	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-36.8	177	-72.3	168.9	71.3	177.7	-2.1	112.1	E24 H59 S60 R67	E24-R63 IonicContact OE2-CZ 2.67Å; E24-R63 IonicContact OE2-NH1 2.98Å; E24-R63 PolarHBondContact OE2-NH1 3.1Å; H59-R63 WeakPolarHBondContact O-CB 3.32Å; H59-R63 VanDerWaalsContact O-CG 3.22Å; H59-R63 WeakPolarHBondContact O-CG 3.41Å; H59-R63 PolarHBondContact O-N 3.31Å; S60-R63 PolarHBondContact O-N 3.32Å; R63-R67 WeakPolarHBondContact O-CB 3.08Å; R63-R67 PolarHBondContact O-N 2.76Å
64	E	75.5	Confident	69.9	Low	57 Å²	57	100.7 Å²	100.7	27%	0.266	51%	0.505	S	S	.	.	H	α-helix	trans	-75.4	-33.6	176.4	178.3	58.9	-168.2	0	0	111.9	S60 Q61 T62 R67 R68	S60-E64 WeakPolarHBondContact O-CB 3.28Å; S60-E64 PolarHBondContact O-N 3.15Å; Q61-E64 PolarHBondContact O-N 2.86Å; T62-E64 PolarHBondContact O-N 2.88Å; E64-R67 PolarHBondContact O-N 3.45Å; E64-R67 WeakPolarHBondContact OE2-CD 3.26Å; E64-R67 IonicContact OE2-CZ 2.68Å; E64-R67 IonicContact OE2-NE 3.67Å; E64-R67 IonicContact OE2-NH1 3.54Å; E64-R67 PolarHBondContact OE2-NH1 3.06Å; E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 IonicContact OE1-CZ 2.98Å; E64-R68 IonicContact OE1-NE 2.73Å; E64-R68 PolarHBondContact OE1-NE 3.25Å; E64-R68 IonicContact OE1-NH2 3.51Å; E64-R68 PolarHBondContact OE1-NH2 3.09Å
65	Y	73.5	Confident	69.3	Low	145 Å²	145	102.6 Å²	102.6	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-49.9	168.8	172.3	-103.1	0	0	0	111.1	Q61 T62 R67 R68 L69	Q61-Y65 VanDerWaalsContact O-CB 3.28Å; Q61-Y65 WeakPolarHBondContact O-CB 3.42Å; Q61-Y65 PolarHBondContact O-N 2.98Å; T62-Y65 WeakPolarHBondContact O-CB 3.37Å; T62-Y65 PolarHBondContact O-N 3.45Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; Y65-R67 PolarHBondContact O-N 3.5Å; Y65-R68 PolarHBondContact O-N 3.38Å; Y65-L69 HydrophobicContact CD1-CD1 3.96Å; Y65-L69 HydrophobicContact CE1-CD1 3.48Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.48Å; Y65-L69 HydrophobicContact CE2-CD1 4.34Å; Y65-L69 PolarHBondContact O-N 3.47Å
66	F	74.5	Confident	68.2	Low	127 Å²	127	102.5 Å²	102.5	56%	0.557	49%	0.494	S	S	*	.	H	α-helix	trans	-64.8	-34.9	173.5	-73.4	-60.4	0	0	0	113	T62 L69 A70	T62-F66 HydrophobicContact CG2-CD2 3.89Å; T62-F66 HydrophobicContact CG2-CE2 3.66Å; T62-F66 WeakPolarHBondContact O-CD2 3.44Å; T62-F66 PolarHBondContact O-N 2.86Å; F66-L69 HydrophobicContact CD1-CD1 4Å; F66-L69 HydrophobicContact CE1-CD1 4.41Å; F66-L69 PolarHBondContact O-N 3.42Å; F66-A70 VanDerWaalsContact O-CB 3.32Å; F66-A70 WeakPolarHBondContact O-CB 3.31Å; F66-A70 PolarHBondContact O-N 2.94Å
67	R	75.7	Confident	66.4	Low	110 Å²	110	105 Å²	105	42%	0.415	52%	0.517	S	S	.	.	H	α-helix	trans	-68.4	-33.2	174.7	-168.6	-173.3	-65.6	129.1	-8.6	112.4	R63 E64 Y65 A70 K71	R63-R67 WeakPolarHBondContact O-CB 3.08Å; R63-R67 PolarHBondContact O-N 2.76Å; E64-R67 PolarHBondContact O-N 3.45Å; E64-R67 WeakPolarHBondContact OE2-CD 3.26Å; E64-R67 IonicContact OE2-CZ 2.68Å; E64-R67 IonicContact OE2-NE 3.67Å; E64-R67 IonicContact OE2-NH1 3.54Å; E64-R67 PolarHBondContact OE2-NH1 3.06Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; Y65-R67 PolarHBondContact O-N 3.5Å; R67-A70 CarbonylContact O-C 3.04Å; R67-A70 PolarHBondContact O-N 3.44Å; R67-K71 HydrophobicContact CG-CD 4.24Å; R67-K71 VanDerWaalsContact O-CB 3.28Å; R67-K71 WeakPolarHBondContact O-CB 3.38Å; R67-K71 VanDerWaalsContact O-CG 3.29Å; R67-K71 WeakPolarHBondContact O-CG 3.37Å; R67-K71 PolarHBondContact O-N 2.82Å; R67-K71 VanDerWaalsContact O-N 3.09Å
68	R	69.7	Low	64.6	Low	163 Å²	163	101.5 Å²	101.5	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-71.2	-45.8	173	-75.3	171.8	-171.7	-169.5	4.8	111.1	E64 Y65 A70 K71 D72	E64-R68 WeakPolarHBondContact O-CB 3.41Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.36Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 IonicContact OE1-CZ 2.98Å; E64-R68 IonicContact OE1-NE 2.73Å; E64-R68 PolarHBondContact OE1-NE 3.25Å; E64-R68 IonicContact OE1-NH2 3.51Å; E64-R68 PolarHBondContact OE1-NH2 3.09Å; Y65-R68 PolarHBondContact O-N 3.38Å; R68-A70 PolarHBondContact O-N 3.33Å; R68-K71 PolarHBondContact O-N 2.88Å; R68-D72 WeakPolarHBondContact O-CB 3.41Å; R68-D72 PolarHBondContact O-N 3.43Å
69	L	63.9	Low	62.5	Low	87 Å²	87	103.6 Å²	103.6	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-52.7	-41.8	169.5	-78.5	167.3	0	0	0	111.7	Y65 F66 K71 Y76	Y65-L69 HydrophobicContact CD1-CD1 3.96Å; Y65-L69 HydrophobicContact CE1-CD1 3.48Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.48Å; Y65-L69 HydrophobicContact CE2-CD1 4.34Å; Y65-L69 PolarHBondContact O-N 3.47Å; F66-L69 HydrophobicContact CD1-CD1 4Å; F66-L69 HydrophobicContact CE1-CD1 4.41Å; F66-L69 PolarHBondContact O-N 3.42Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.42Å; L69-Y76 PolarHBondContact O-OH 3Å; L69-Y76 VanDerWaalsContact O-OH 3.1Å
70	A	66	Low	60.3	Low	69 Å²	69	106.8 Å²	106.8	57%	0.57	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.5	178	0	0	0	0	0	115.6	F66 R67 R68	F66-A70 VanDerWaalsContact O-CB 3.32Å; F66-A70 WeakPolarHBondContact O-CB 3.31Å; F66-A70 PolarHBondContact O-N 2.94Å; R67-A70 CarbonylContact O-C 3.04Å; R67-A70 PolarHBondContact O-N 3.44Å; R68-A70 PolarHBondContact O-N 3.33Å
71	K	65.8	Low	58.5	Low	162 Å²	162	107 Å²	107	70%	0.704	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-20.2	-178.4	-79.4	-173.3	174.4	-170.7	0	114.5	R67 R68 L69 A73	R67-K71 HydrophobicContact CG-CD 4.24Å; R67-K71 VanDerWaalsContact O-CB 3.28Å; R67-K71 WeakPolarHBondContact O-CB 3.38Å; R67-K71 VanDerWaalsContact O-CG 3.29Å; R67-K71 WeakPolarHBondContact O-CG 3.37Å; R67-K71 PolarHBondContact O-N 2.82Å; R67-K71 VanDerWaalsContact O-N 3.09Å; R68-K71 PolarHBondContact O-N 2.88Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.42Å; K71-A73 PolarHBondContact O-N 3.32Å
72	D	53.3	Low	56.8	Low	46 Å²	46	104 Å²	104	25%	0.246	53%	0.533	C	S	.	.			trans	-78.1	68.8	-179.1	-165.6	-14.1	0	0	0	110.8	R68 S74 R75 Y76	R68-D72 WeakPolarHBondContact O-CB 3.41Å; R68-D72 PolarHBondContact O-N 3.43Å; D72-S74 PolarHBondContact O-N 3.11Å; D72-S74 WeakPolarHBondContact OD1-CB 3.47Å; D72-S74 PolarHBondContact OD1-N 3.13Å; D72-S74 PolarHBondContact OD1-OG 3.2Å; D72-R75 PolarHBondContact O-N 3.34Å; D72-R75 PolarHBondContact OD1-N 2.85Å; D72-R75 WeakPolarHBondContact OD2-CD 3.46Å; D72-R75 WeakPolarHBondContact OD2-CG 3.42Å; D72-R75 IonicContact OD2-CZ 3.92Å; D72-R75 IonicContact OD2-NE 4Å; D72-R75 PolarHBondContact OD2-NE 2.84Å; D72-Y76 VanDerWaalsContact O-CD2 3.23Å; D72-Y76 WeakPolarHBondContact O-CD2 3.25Å
73	A	51.4	Low	55.5	Low	84 Å²	84	106.3 Å²	106.3	69%	0.694	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-52.8	-21.3	177.4	0	0	0	0	0	113.2	K71	K71-A73 PolarHBondContact O-N 3.32Å
74	S	53.7	Low	54.5	Low	111 Å²	111	105.7 Å²	105.7	78%	0.776	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-79.3	-5	175.4	26.4	0	0	0	0	115.4	D72	D72-S74 PolarHBondContact O-N 3.11Å; D72-S74 WeakPolarHBondContact OD1-CB 3.47Å; D72-S74 PolarHBondContact OD1-N 3.13Å; D72-S74 PolarHBondContact OD1-OG 3.2Å
75	R	45.2	Very low	53.7	Low	195 Å²	195	104.8 Å²	104.8	74%	0.736	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-115.1	8.9	175.7	-68.2	-173	-169.5	-174.8	0.7	114.7	D72 S77	D72-R75 PolarHBondContact O-N 3.34Å; D72-R75 PolarHBondContact OD1-N 2.85Å; D72-R75 WeakPolarHBondContact OD2-CD 3.46Å; D72-R75 WeakPolarHBondContact OD2-CG 3.42Å; D72-R75 IonicContact OD2-CZ 3.92Å; D72-R75 IonicContact OD2-NE 4Å; D72-R75 PolarHBondContact OD2-NE 2.84Å; R75-S77 PolarHBondContact O-N 3Å
76	Y	41.9	Very low	53.3	Low	115 Å²	115	101.4 Å²	101.4	45%	0.451	54%	0.544	S	S	.	.			trans	-75.9	68.6	178.8	-81.2	-97.2	0	0	0	113.2	L69 D72 I80	L69-Y76 PolarHBondContact O-OH 3Å; L69-Y76 VanDerWaalsContact O-OH 3.1Å; D72-Y76 VanDerWaalsContact O-CD2 3.23Å; D72-Y76 WeakPolarHBondContact O-CD2 3.25Å; Y76-I80 HydrophobicContact CE1-CG1 4.48Å
77	S	32.9	Very low	53.3	Low	127 Å²	127	99.3 Å²	99.3	89%	0.888	54%	0.542	S	S	*	.			trans	-109.4	20.7	145.4	-173	0	0	0	0	110.9	R75	R75-S77 PolarHBondContact O-N 3Å
78	S	35.5	Very low	53.3	Low	73 Å²	73	97.7 Å²	97.7	51%	0.51	54%	0.538	S	S	.	.	S	Bend	trans	-100.3	115.5	164.4	43.9	0	0	0	0	108.6	I80	S78-I80 PolarHBondContact O-N 3.3Å
79	T	35.4	Very low	53.7	Low	95 Å²	95	95.1 Å²	95.1	58%	0.583	53%	0.532	S	S	*	.			trans	-62.8	122.2	174.1	44.8	0	0	0	0	109.8	S81 T85	T79-S81 PolarHBondContact O-N 2.85Å; T79-T85 HydrophobicContact CG2-CG2 4.41Å
80	I	34.4	Very low	54.6	Low	142 Å²	142	94.7 Å²	94.7	73%	0.728	53%	0.533	S	S	*	.			trans	-51.6	113.9	140.8	-64.9	172.8	0	0	0	104.3	Y76 S78 D82	Y76-I80 HydrophobicContact CE1-CG1 4.48Å; S78-I80 PolarHBondContact O-N 3.3Å; I80-D82 PolarHBondContact O-N 3.07Å
81	S	42.5	Very low	55.6	Low	58 Å²	58	93.4 Å²	93.4	41%	0.406	52%	0.515	S	S	.	.			trans	-74.4	82.6	-179.6	66.6	0	0	0	0	109.1	T79 N86	T79-S81 PolarHBondContact O-N 2.85Å; S81-N86 VanDerWaalsContact CB-ND2 3.33Å; S81-N86 WeakPolarHBondContact CB-ND2 3.43Å; S81-N86 WeakPolarHBondContact CB-OD1 3.36Å; S81-N86 PolarHBondContact OG-ND2 3.27Å; S81-N86 VanDerWaalsContact OG-ND2 3.12Å
82	D	44.9	Very low	56.6	Low	62 Å²	62	87.2 Å²	87.2	33%	0.332	49%	0.491	S	S	.	.			trans	-33	126.3	147.7	152.7	42.7	0	0	0	108.9	I80 D84 T85 N86	I80-D82 PolarHBondContact O-N 3.07Å; D82-D84 PolarHBondContact O-N 2.91Å; D82-D84 PolarHBondContact OD1-N 2.84Å; D82-T85 WeakPolarHBondContact O-CA 3.45Å; D82-T85 WeakPolarHBondContact O-CB 3.36Å; D82-T85 PolarHBondContact O-N 3.16Å; D82-T85 WeakPolarHBondContact OD2-CB 3.38Å; D82-T85 PolarHBondContact OD2-N 3.01Å; D82-T85 PolarHBondContact OD2-OG1 3.31Å; D82-N86 PolarHBondContact O-N 2.83Å; D82-N86 VanDerWaalsContact O-N 3.08Å
83	P	50.7	Low	58.3	Low	96 Å²	96	90.4 Å²	90.4	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-51.2	-38.1	178.7	-28.9	36.5	0	0	0	112.8	T85 N86 V87	P83-T85 VanDerWaalsContact C-N 3.31Å; P83-T85 PolarHBondContact O-N 3.38Å; P83-N86 PolarHBondContact O-N 2.89Å; P83-V87 WeakPolarHBondContact O-CG2 3.45Å; P83-V87 PolarHBondContact O-N 3.33Å
84	D	58.1	Low	60.1	Low	96 Å²	96	90.8 Å²	90.8	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-31.5	178.6	-68	-7.3	0	0	0	111.7	D82 V87 K88	D82-D84 PolarHBondContact O-N 2.91Å; D82-D84 PolarHBondContact OD1-N 2.84Å; D84-V87 PolarHBondContact O-N 2.94Å; D84-K88 VanDerWaalsContact O-CB 3.31Å; D84-K88 WeakPolarHBondContact O-CB 3.49Å; D84-K88 VanDerWaalsContact O-CD 3.25Å; D84-K88 WeakPolarHBondContact O-CD 3.28Å; D84-K88 WeakPolarHBondContact O-CG 3.28Å; D84-K88 PolarHBondContact O-N 2.93Å
85	T	59.5	Low	61.9	Low	37 Å²	37	85.6 Å²	85.6	23%	0.227	46%	0.458	C	S	.	.	H	α-helix	trans	-69.8	-39.5	174.3	-65.8	0	0	0	0	111.7	T79 D82 P83 K88 Q89	T79-T85 HydrophobicContact CG2-CG2 4.41Å; D82-T85 WeakPolarHBondContact O-CA 3.45Å; D82-T85 WeakPolarHBondContact O-CB 3.36Å; D82-T85 PolarHBondContact O-N 3.16Å; D82-T85 WeakPolarHBondContact OD2-CB 3.38Å; D82-T85 PolarHBondContact OD2-N 3.01Å; D82-T85 PolarHBondContact OD2-OG1 3.31Å; P83-T85 VanDerWaalsContact C-N 3.31Å; P83-T85 PolarHBondContact O-N 3.38Å; T85-K88 PolarHBondContact O-N 3.18Å; T85-Q89 WeakPolarHBondContact O-CG 3.34Å; T85-Q89 PolarHBondContact O-N 3.34Å
86	N	63.7	Low	64.1	Low	75 Å²	75	77.5 Å²	77.5	40%	0.401	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-43.6	170.4	-84.8	-18.1	0	0	0	111.5	S81 D82 P83 Q89 V90	S81-N86 VanDerWaalsContact CB-ND2 3.33Å; S81-N86 WeakPolarHBondContact CB-ND2 3.43Å; S81-N86 WeakPolarHBondContact CB-OD1 3.36Å; S81-N86 PolarHBondContact OG-ND2 3.27Å; S81-N86 VanDerWaalsContact OG-ND2 3.12Å; D82-N86 PolarHBondContact O-N 2.83Å; D82-N86 VanDerWaalsContact O-N 3.08Å; P83-N86 PolarHBondContact O-N 2.89Å; N86-Q89 PolarHBondContact O-N 3.32Å; N86-V90 WeakPolarHBondContact O-CG2 3.47Å; N86-V90 PolarHBondContact O-N 3.39Å
87	V	75.9	Confident	66.6	Low	82 Å²	82	75.4 Å²	75.4	50%	0.497	43%	0.426	S	S	.	.	H	α-helix	trans	-59.6	-47.2	175	170	0	0	0	0	110.5	P83 D84 Q89 V90 K91	P83-V87 WeakPolarHBondContact O-CG2 3.45Å; P83-V87 PolarHBondContact O-N 3.33Å; D84-V87 PolarHBondContact O-N 2.94Å; V87-Q89 PolarHBondContact O-N 2.92Å; V87-V90 CarbonylContact O-C 3.15Å; V87-V90 WeakPolarHBondContact O-CA 3.4Å; V87-V90 WeakPolarHBondContact O-CB 3.37Å; V87-V90 PolarHBondContact O-N 3.2Å; V87-V90 VanDerWaalsContact O-N 3.08Å; V87-K91 HydrophobicContact CG1-CG 4.42Å; V87-K91 WeakPolarHBondContact O-CG 3.28Å; V87-K91 PolarHBondContact O-N 2.85Å
88	K	74.5	Confident	69.5	Low	77 Å²	77	69.6 Å²	69.6	34%	0.335	39%	0.386	S	S	.	.	H	α-helix	trans	-59.9	-40.3	176.7	-73.6	157.7	-167.1	157.7	0	112.3	D84 T85 V90 K91 V92	D84-K88 VanDerWaalsContact O-CB 3.31Å; D84-K88 WeakPolarHBondContact O-CB 3.49Å; D84-K88 VanDerWaalsContact O-CD 3.25Å; D84-K88 WeakPolarHBondContact O-CD 3.28Å; D84-K88 WeakPolarHBondContact O-CG 3.28Å; D84-K88 PolarHBondContact O-N 2.93Å; T85-K88 PolarHBondContact O-N 3.18Å; K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.01Å; K88-K91 WeakPolarHBondContact O-CB 3.38Å; K88-K91 PolarHBondContact O-N 2.88Å; K88-V92 WeakPolarHBondContact O-CG2 3.42Å; K88-V92 PolarHBondContact O-N 3.43Å
89	Q	77.9	Confident	72.4	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-39.3	173.3	-73.6	-174.2	14.5	0	0	112.3	T85 N86 V87 V92 L93	T85-Q89 WeakPolarHBondContact O-CG 3.34Å; T85-Q89 PolarHBondContact O-N 3.34Å; N86-Q89 PolarHBondContact O-N 3.32Å; V87-Q89 PolarHBondContact O-N 2.92Å; Q89-V92 PolarHBondContact O-N 3.24Å; Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.23Å
90	V	84	Confident	75.2	Confident	78 Å²	78	64.8 Å²	64.8	47%	0.473	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-40	173	173.6	0	0	0	0	111.5	N86 V87 K88 L93 Q94	N86-V90 WeakPolarHBondContact O-CG2 3.47Å; N86-V90 PolarHBondContact O-N 3.39Å; V87-V90 CarbonylContact O-C 3.15Å; V87-V90 WeakPolarHBondContact O-CA 3.4Å; V87-V90 WeakPolarHBondContact O-CB 3.37Å; V87-V90 PolarHBondContact O-N 3.2Å; V87-V90 VanDerWaalsContact O-N 3.08Å; K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.01Å; V90-L93 PolarHBondContact O-N 2.7Å; V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 2.93Å
91	K	87.2	Confident	78.1	Confident	42 Å²	42	62.3 Å²	62.3	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-41	173.3	-66.1	-57.3	-163.9	131.9	0	112.6	V87 K88 L93 Q94 L95 H128 D129 L130	V87-K91 HydrophobicContact CG1-CG 4.42Å; V87-K91 WeakPolarHBondContact O-CG 3.28Å; V87-K91 PolarHBondContact O-N 2.85Å; K88-K91 WeakPolarHBondContact O-CB 3.38Å; K88-K91 PolarHBondContact O-N 2.88Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-L93 PolarHBondContact O-N 3.42Å; K91-Q94 WeakPolarHBondContact O-CB 3.25Å; K91-Q94 PolarHBondContact O-N 2.8Å; K91-L95 PolarHBondContact O-N 3.39Å; K91-H128 HydrophobicContact CB-CB 4.3Å; K91-H128 WeakPolarHBondContact CB-O 3.44Å; K91-H128 HydrophobicContact CD-CB 4.39Å; K91-H128 WeakPolarHBondContact CD-O 3.47Å; K91-H128 WeakPolarHBondContact CG-O 3.48Å; K91-H128 PolarHBondContact NZ-O 2.9Å; K91-D129 WeakPolarHBondContact CE-OD2 3.35Å; K91-D129 IonicContact NZ-OD2 2.79Å; K91-D129 PolarHBondContact NZ-OD2 2.75Å; K91-L130 HydrophobicContact CB-CD1 4.3Å; K91-L130 HydrophobicContact CB-CD2 4.06Å; K91-L130 HydrophobicContact CB-CG 4.21Å
92	V	86.9	Confident	80.6	Confident	32 Å²	32	63.8 Å²	63.8	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-39.8	173.7	171.8	0	0	0	0	111.4	K88 Q89 L95 I96 L130 F135 L141	K88-V92 WeakPolarHBondContact O-CG2 3.42Å; K88-V92 PolarHBondContact O-N 3.43Å; Q89-V92 PolarHBondContact O-N 3.24Å; V92-L95 PolarHBondContact O-N 2.91Å; V92-I96 HydrophobicContact CG1-CD1 4.03Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.31Å; V92-L130 HydrophobicContact CG2-CD1 4.16Å; V92-L130 HydrophobicContact CG2-CD2 4.2Å; V92-F135 HydrophobicContact CG2-CE2 4.24Å; V92-L141 HydrophobicContact CG1-CD2 3.46Å; V92-L141 VanDerWaalsContact CG1-CD2 3.46Å
93	L	87.8	Confident	83	Confident	114 Å²	114	60.8 Å²	60.8	60%	0.597	31%	0.311	S	S	*	.	H	α-helix	trans	-66.9	-35	173.9	-70	170.1	0	0	0	112.7	Q89 V90 K91 I96 N97	Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.23Å; V90-L93 PolarHBondContact O-N 2.7Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-L93 PolarHBondContact O-N 3.42Å; L93-I96 HydrophobicContact CD2-CD1 4.22Å; L93-N97 WeakPolarHBondContact O-CB 3.45Å; L93-N97 PolarHBondContact O-N 2.97Å
94	Q	90.6	Very high	85.2	Confident	92 Å²	92	56.3 Å²	56.3	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-42.9	172.3	-73.2	173.6	-12.2	0	0	111.5	V90 K91 N97 A98	V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 2.93Å; K91-Q94 WeakPolarHBondContact O-CB 3.25Å; K91-Q94 PolarHBondContact O-N 2.8Å; Q94-N97 PolarHBondContact O-N 3.38Å; Q94-A98 PolarHBondContact O-N 2.79Å
95	L	91.4	Very high	86.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-48.5	174	-174.3	69.1	0	0	0	111.9	K91 V92 N97 A98 Y99 P125 L130 F135	K91-L95 PolarHBondContact O-N 3.39Å; V92-L95 PolarHBondContact O-N 2.91Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 2.69Å; L95-A98 PolarHBondContact O-N 3.46Å; L95-A98 VanDerWaalsContact O-N 3.15Å; L95-Y99 HydrophobicContact CD1-CD2 4.13Å; L95-Y99 HydrophobicContact CD1-CE2 3.83Å; L95-Y99 HydrophobicContact CG-CD2 4.18Å; L95-Y99 HydrophobicContact CG-CE2 4.18Å; L95-Y99 WeakPolarHBondContact O-CD2 3.49Å; L95-Y99 PolarHBondContact O-N 3.19Å; L95-P125 HydrophobicContact CD2-CB 4.37Å; L95-P125 HydrophobicContact CD2-CG 4.29Å; L95-L130 HydrophobicContact CB-CD1 4.49Å; L95-L130 HydrophobicContact CD2-CD1 4.01Å; L95-F135 HydrophobicContact CD2-CE2 4.21Å; L95-F135 HydrophobicContact CD2-CZ 3.87Å
96	I	91.7	Very high	88.5	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-54.5	-44.7	173.7	-69.9	159.2	0	0	0	110.5	V92 L93 Y99 R100 L141 L145	V92-I96 HydrophobicContact CG1-CD1 4.03Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.31Å; L93-I96 HydrophobicContact CD2-CD1 4.22Å; I96-Y99 PolarHBondContact O-N 2.86Å; I96-R100 WeakPolarHBondContact O-CG 3.44Å; I96-R100 PolarHBondContact O-N 2.98Å; I96-L141 HydrophobicContact CD1-CD1 4.41Å; I96-L141 HydrophobicContact CD1-CD2 4Å; I96-L141 HydrophobicContact CG1-CD1 4.36Å; I96-L141 HydrophobicContact CG1-CD2 4.17Å; I96-L145 HydrophobicContact CG1-CD1 3.94Å; I96-L145 HydrophobicContact CG1-CD2 4.46Å; I96-L145 HydrophobicContact CG2-CD2 4.41Å
97	N	93.1	Very high	89.9	Confident	70 Å²	70	51.7 Å²	51.7	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-38.8	179.5	-170.9	69.7	0	0	0	112.3	L93 Q94 L95 R100 F101	L93-N97 WeakPolarHBondContact O-CB 3.45Å; L93-N97 PolarHBondContact O-N 2.97Å; Q94-N97 PolarHBondContact O-N 3.38Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 2.69Å; N97-R100 PolarHBondContact O-N 2.76Å; N97-F101 WeakPolarHBondContact ND2-CD2 3.26Å; N97-F101 WeakPolarHBondContact O-CB 3.21Å; N97-F101 WeakPolarHBondContact O-CD2 3.3Å; N97-F101 PolarHBondContact O-N 3.14Å; N97-F101 WeakPolarHBondContact OD1-CE2 3.42Å
98	A	94.9	Very high	90.8	Very high	6 Å²	6	52.7 Å²	52.7	5%	0.05	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-45.3	173.5	0	0	0	0	0	111.7	Q94 L95 R100 F101 R102 D122 L123	Q94-A98 PolarHBondContact O-N 2.79Å; L95-A98 PolarHBondContact O-N 3.46Å; L95-A98 VanDerWaalsContact O-N 3.15Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.18Å; A98-F101 PolarHBondContact O-N 2.94Å; A98-F101 VanDerWaalsContact O-N 3.15Å; A98-R102 PolarHBondContact O-N 2.96Å; A98-D122 HydrophobicContact CB-CB 4.27Å; A98-D122 WeakPolarHBondContact CB-O 3.44Å; A98-L123 VanDerWaalsContact C-CD2 3.44Å; A98-L123 HydrophobicContact CB-CD2 4.11Å; A98-L123 WeakPolarHBondContact O-CD2 3.4Å
99	Y	94.7	Very high	91.8	Very high	9 Å²	9	49 Å²	49	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-41.6	173.8	-88.8	-95.5	0	0	0	112.4	L95 I96 G103 L123 L142 L145 K146	L95-Y99 HydrophobicContact CD1-CD2 4.13Å; L95-Y99 HydrophobicContact CD1-CE2 3.83Å; L95-Y99 HydrophobicContact CG-CD2 4.18Å; L95-Y99 HydrophobicContact CG-CE2 4.18Å; L95-Y99 WeakPolarHBondContact O-CD2 3.49Å; L95-Y99 PolarHBondContact O-N 3.19Å; I96-Y99 PolarHBondContact O-N 2.86Å; Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.46Å; Y99-G103 PolarHBondContact O-N 3.07Å; Y99-L123 VanDerWaalsContact CA-CD2 3.47Å; Y99-L123 HydrophobicContact CD1-CD2 4.17Å; Y99-L123 HydrophobicContact CD2-CD2 3.58Å; Y99-L123 HydrophobicContact CE1-CD2 4.39Å; Y99-L123 HydrophobicContact CE2-CB 4.06Å; Y99-L123 HydrophobicContact CE2-CD2 3.81Å; Y99-L123 VanDerWaalsContact CE2-O 3.28Å; Y99-L123 WeakPolarHBondContact CE2-O 3.45Å; Y99-L123 HydrophobicContact CG-CD2 3.75Å; Y99-L123 PolarHBondContact OH-O 2.92Å; Y99-L142 HydrophobicContact CE2-CD1 3.83Å; Y99-L142 WeakPolarHBondContact OH-CD1 3.43Å; Y99-L145 HydrophobicContact CD1-CB 3.79Å; Y99-L145 HydrophobicContact CD2-CD1 4.2Å; Y99-L145 HydrophobicContact CE1-CB 4.3Å; Y99-L145 HydrophobicContact CG-CB 3.93Å; Y99-L145 HydrophobicContact CG-CD1 4.21Å; Y99-L145 HydrophobicContact CG-CG 4.47Å; Y99-K146 HydrophobicContact CE1-CG 3.9Å
100	R	95.5	Very high	92.7	Very high	57 Å²	57	44.2 Å²	44.2	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-33.6	175.2	-71.5	168.7	168.8	174	-4.3	114	I96 N97 A98 Y149 M158 E174	I96-R100 WeakPolarHBondContact O-CG 3.44Å; I96-R100 PolarHBondContact O-N 2.98Å; N97-R100 PolarHBondContact O-N 2.76Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.18Å; R100-Y149 HydrophobicContact CG-CE1 4.37Å; R100-Y149 HydrophobicContact CG-CE2 4.03Å; R100-M158 HydrophobicContact CB-CE 4.41Å; R100-M158 HydrophobicContact CB-CG 3.92Å; R100-M158 HydrophobicContact CB-SD 4.18Å; R100-M158 WeakPolarHBondContact O-CG 3.36Å; R100-E174 IonicContact CZ-OE1 3.69Å; R100-E174 IonicContact CZ-OE2 2.75Å; R100-E174 IonicContact NE-OE1 2.77Å; R100-E174 PolarHBondContact NE-OE1 3.12Å; R100-E174 IonicContact NE-OE2 3.78Å; R100-E174 IonicContact NH2-OE1 2.65Å; R100-E174 PolarHBondContact NH2-OE1 2.97Å; R100-E174 IonicContact NH2-OE2 2.7Å; R100-E174 PolarHBondContact NH2-OE2 3.45Å
101	F	95.4	Very high	93.3	Very high	90 Å²	90	41 Å²	41	40%	0.395	20%	0.197	S	C	.	.	H	α-helix	trans	-86.8	-32.5	-179.2	-95.3	-85.5	0	0	0	113.9	N97 A98 M158	N97-F101 WeakPolarHBondContact ND2-CD2 3.26Å; N97-F101 WeakPolarHBondContact O-CB 3.21Å; N97-F101 WeakPolarHBondContact O-CD2 3.3Å; N97-F101 PolarHBondContact O-N 3.14Å; N97-F101 WeakPolarHBondContact OD1-CE2 3.42Å; A98-F101 PolarHBondContact O-N 2.94Å; A98-F101 VanDerWaalsContact O-N 3.15Å; F101-M158 HydrophobicContact CD1-CB 3.6Å; F101-M158 HydrophobicContact CD2-CB 3.92Å; F101-M158 HydrophobicContact CD2-CE 3.77Å; F101-M158 HydrophobicContact CD2-CG 4.12Å; F101-M158 HydrophobicContact CE1-CB 3.64Å; F101-M158 HydrophobicContact CE2-CB 3.97Å; F101-M158 HydrophobicContact CE2-CE 3.37Å; F101-M158 HydrophobicContact CE2-CG 4.36Å; F101-M158 HydrophobicContact CG-CB 3.76Å; F101-M158 HydrophobicContact CG-CG 4.24Å; F101-M158 HydrophobicContact CZ-CB 3.83Å; F101-M158 HydrophobicContact CZ-CE 4.05Å
102	R	95.4	Very high	93.6	Very high	89 Å²	89	39.2 Å²	39.2	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-133.9	-5.7	-167.5	-57.5	-168.6	71.3	177.3	2.9	115.4	A98 H104 Q105 V120 D122 L123	A98-R102 PolarHBondContact O-N 2.96Å; R102-H104 PolarHBondContact O-N 2.91Å; R102-H104 VanDerWaalsContact O-N 3.09Å; R102-Q105 VanDerWaalsContact O-CB 3.26Å; R102-Q105 WeakPolarHBondContact O-CB 3.29Å; R102-Q105 PolarHBondContact O-N 3.17Å; R102-V120 HydrophobicContact CB-CG1 4.07Å; R102-V120 VanDerWaalsContact CZ-CG1 3.46Å; R102-D122 VanDerWaalsContact CD-OD2 3.24Å; R102-D122 WeakPolarHBondContact CD-OD2 3.33Å; R102-D122 IonicContact CZ-OD1 2.68Å; R102-D122 IonicContact NE-OD1 3.68Å; R102-D122 IonicContact NH1-OD1 3.83Å; R102-D122 PolarHBondContact NH1-OD1 3.43Å; R102-L123 HydrophobicContact CB-CD1 4.43Å
103	G	95	Very high	93.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54.2	-34.1	-177.2	0	0	0	0	0	114	Y99 Q105 H106 A107 Y149 C150	Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.46Å; Y99-G103 PolarHBondContact O-N 3.07Å; G103-Q105 PolarHBondContact O-N 2.99Å; G103-H106 CarbonylContact O-C 3.16Å; G103-H106 PolarHBondContact O-N 3.18Å; G103-A107 PolarHBondContact O-N 2.59Å; G103-Y149 CarbonylContact C-O 3.45Å; G103-C150 PolarHBondContact O-SG 2.89Å
104	H	95.7	Very high	94.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.1	-20.9	173.4	72.9	117.8	0	0	0	114.8	R102 Y149 E156 Y392 H406	R102-H104 PolarHBondContact O-N 2.91Å; R102-H104 VanDerWaalsContact O-N 3.09Å; H104-Y149 PolarHBondContact N-O 3.42Å; H104-E156 IonicContact CE1-OE1 3.25Å; H104-E156 PolarHBondContact CE1-OE1 3.22Å; H104-E156 VanDerWaalsContact CE1-OE1 3.25Å; H104-E156 IonicContact CE1-OE2 3.03Å; H104-E156 IonicContact ND1-OE2 2.7Å; H104-E156 IonicContact NE2-OE1 2.72Å; H104-Y392 AromaticContact CE1-CE2 3.64Å; H104-Y392 AromaticContact ND1-CE2 3.59Å; H104-Y392 AromaticContact ND1-CZ 3.64Å; H104-Y392 PolarHBondContact ND1-OH 2.72Å; H104-Y392 PolarHBondContact O-OH 2.64Å; H104-Y392 VanDerWaalsContact O-OH 3.09Å; H104-H406 AromaticContact ND1-NE2 3.66Å
105	Q	94	Very high	94.1	Very high	53 Å²	53	36.1 Å²	36.1	25%	0.248	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-80.2	-17.6	177	-61.6	165.1	27.5	0	0	112.5	R102 G103 Q117 V120	R102-Q105 VanDerWaalsContact O-CB 3.26Å; R102-Q105 WeakPolarHBondContact O-CB 3.29Å; R102-Q105 PolarHBondContact O-N 3.17Å; G103-Q105 PolarHBondContact O-N 2.99Å; Q105-Q117 WeakPolarHBondContact O-CG 3.29Å; Q105-Q117 PolarHBondContact O-NE2 2.67Å; Q105-Q117 PolarHBondContact O-OE1 3.44Å; Q105-V120 HydrophobicContact CB-CG2 3.79Å
106	H	93.2	Very high	93.5	Very high	58 Å²	58	44.4 Å²	44.4	27%	0.269	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-109.2	12.8	170.8	-77.7	173.8	0	0	0	112.4	G103 V120 L123	G103-H106 CarbonylContact O-C 3.16Å; G103-H106 PolarHBondContact O-N 3.18Å; H106-V120 PolarHBondContact CE1-N 3.39Å; H106-V120 PolarHBondContact NE2-N 3.08Å; H106-L123 HydrophobicContact CB-CD1 4.16Å; H106-L123 WeakPolarHBondContact ND1-CD1 3.49Å
107	A	93.8	Very high	93.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-78.1	143.6	-177.3	0	0	0	0	0	112.6	G103 L109 Q117 C150	G103-A107 PolarHBondContact O-N 2.59Å; A107-L109 HydrophobicContact CB-CD1 4.12Å; A107-L109 HydrophobicContact CB-CD2 4.02Å; A107-L109 HydrophobicContact CB-CG 3.75Å; A107-L109 PolarHBondContact O-N 2.89Å; A107-Q117 PolarHBondContact O-NE2 3.29Å; A107-C150 WeakPolarHBondContact CA-O 3.42Å
108	N	93.9	Very high	92.6	Very high	103 Å²	103	50.7 Å²	50.7	55%	0.551	25%	0.249	S	C	*	.			trans	-77.8	66.7	179.8	-172.7	27.1	0	0	0	111.8	C150 G151 N408	N108-C150 PolarHBondContact N-O 3.49Å; N108-G151 PolarHBondContact N-O 2.8Å; N108-N408 PolarHBondContact O-ND2 3.27Å
109	L	96.2	Very high	92.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.287	C	S	.	.			trans	-87	-38.7	-169	-64.2	173.8	0	0	0	114.2	A107 P111 W115 Y392 H406 N408 V438	A107-L109 HydrophobicContact CB-CD1 4.12Å; A107-L109 HydrophobicContact CB-CD2 4.02Å; A107-L109 HydrophobicContact CB-CG 3.75Å; A107-L109 PolarHBondContact O-N 2.89Å; L109-P111 WeakPolarHBondContact O-CD 3.47Å; L109-W115 HydrophobicContact CB-CE3 4.39Å; L109-W115 HydrophobicContact CB-CH2 4.43Å; L109-W115 HydrophobicContact CB-CZ3 3.84Å; L109-W115 HydrophobicContact CD1-CZ3 4.01Å; L109-Y392 HydrophobicContact CD1-CE1 4.37Å; L109-H406 HydrophobicContact CD1-CB 3.59Å; L109-H406 HydrophobicContact CD2-CB 3.57Å; L109-H406 HydrophobicContact CG-CB 4.2Å; L109-N408 WeakPolarHBondContact O-CA 3.43Å; L109-N408 WeakPolarHBondContact O-CB 3.3Å; L109-N408 VanDerWaalsContact O-CG 3.27Å; L109-N408 PolarHBondContact O-ND2 3.36Å; L109-V438 HydrophobicContact CB-CB 4.44Å; L109-V438 HydrophobicContact CB-CG1 4.48Å; L109-V438 HydrophobicContact CB-CG2 4.21Å; L109-V438 WeakPolarHBondContact O-CB 3.31Å; L109-V438 WeakPolarHBondContact O-CG1 3.38Å
110	D	96.6	Very high	91.8	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.032	29%	0.287	C	S	.	.			trans	-81	114.6	-174.2	175.6	14.5	0	0	0	111.5	L112 G113 L114 W115 Q376	D110-L112 PolarHBondContact O-N 2.9Å; D110-L112 WeakPolarHBondContact OD1-CB 3.48Å; D110-L112 PolarHBondContact OD1-N 3.45Å; D110-G113 PolarHBondContact O-N 2.58Å; D110-G113 PolarHBondContact OD2-N 2.95Å; D110-L114 WeakPolarHBondContact OD2-CA 3.28Å; D110-L114 PolarHBondContact OD2-N 3Å; D110-W115 HydrophobicContact CB-CB 4.14Å; D110-W115 HydrophobicContact CB-CD2 3.75Å; D110-W115 HydrophobicContact CB-CE3 4.29Å; D110-W115 HydrophobicContact CB-CG 3.66Å; D110-W115 PolarHBondContact OD2-N 3.18Å; D110-Q376 PolarHBondContact OD1-NE2 2.89Å
111	P	95.4	Very high	91.5	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.078	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.8	176.5	-18	27.5	0	0	0	112.7	L109 N408 A409 D410 V438 Y440 H465	L109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-N408 WeakPolarHBondContact CG-OD1 3.32Å; P111-A409 HydrophobicContact CG-CB 4.49Å; P111-D410 HydrophobicContact CB-CB 4.48Å; P111-D410 WeakPolarHBondContact CB-OD2 3.29Å; P111-V438 WeakPolarHBondContact CG-O 3.44Å; P111-Y440 HydrophobicContact CB-CD1 3.97Å; P111-Y440 HydrophobicContact CB-CE1 4.23Å; P111-Y440 HydrophobicContact CG-CD1 4.25Å; P111-H465 PolarHBondContact O-CE1 3.3Å; P111-H465 PolarHBondContact O-NE2 2.94Å
112	L	95.2	Very high	91.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.1	-179.6	-56.4	-179.6	0	0	0	112.4	D110 L114 Y440 M458 K461 I462 H465	D110-L112 PolarHBondContact O-N 2.9Å; D110-L112 WeakPolarHBondContact OD1-CB 3.48Å; D110-L112 PolarHBondContact OD1-N 3.45Å; L112-L114 HydrophobicContact CB-CD1 3.85Å; L112-L114 HydrophobicContact CB-CG 3.89Å; L112-L114 HydrophobicContact CD1-CD1 3.78Å; L112-L114 PolarHBondContact O-N 3.49Å; L112-Y440 HydrophobicContact CD1-CG 4.42Å; L112-Y440 HydrophobicContact CD2-CD1 3.9Å; L112-Y440 HydrophobicContact CD2-CD2 4.38Å; L112-Y440 HydrophobicContact CD2-CE1 4.47Å; L112-Y440 HydrophobicContact CD2-CG 3.86Å; L112-Y440 HydrophobicContact CG-CD1 4.29Å; L112-Y440 HydrophobicContact CG-CG 4.21Å; L112-M458 HydrophobicContact CD1-CE 4.03Å; L112-M458 HydrophobicContact CD1-CG 3.93Å; L112-K461 WeakPolarHBondContact O-CD 3.36Å; L112-K461 WeakPolarHBondContact O-CE 3.16Å; L112-K461 PolarHBondContact O-NZ 3.18Å; L112-I462 HydrophobicContact CD1-CD1 4.05Å; L112-I462 HydrophobicContact CD1-CG1 3.63Å; L112-I462 HydrophobicContact CD2-CG1 3.7Å; L112-I462 HydrophobicContact CG-CG1 4.34Å; L112-H465 HydrophobicContact CD2-CB 4.26Å
113	G	92.7	Very high	91	Very high	40 Å²	40	52.5 Å²	52.5	41%	0.412	27%	0.272	S	S	.	.			trans	50.3	43.9	-175	0	0	0	0	0	113.2	D110 K461	D110-G113 PolarHBondContact O-N 2.58Å; D110-G113 PolarHBondContact OD2-N 2.95Å; G113-K461 PolarHBondContact O-NZ 2.87Å
114	L	92.1	Very high	90.6	Very high	59 Å²	59	56.4 Å²	56.4	31%	0.309	29%	0.293	S	S	.	.			trans	-92.7	-33.9	171.7	-67.8	170.1	0	0	0	111	D110 L112 Q116 M458 K461	D110-L114 WeakPolarHBondContact OD2-CA 3.28Å; D110-L114 PolarHBondContact OD2-N 3Å; L112-L114 HydrophobicContact CB-CD1 3.85Å; L112-L114 HydrophobicContact CB-CG 3.89Å; L112-L114 HydrophobicContact CD1-CD1 3.78Å; L112-L114 PolarHBondContact O-N 3.49Å; L114-Q116 PolarHBondContact O-N 2.98Å; L114-Q116 VanDerWaalsContact O-N 3.11Å; L114-Q116 PolarHBondContact O-NE2 2.92Å; L114-M458 HydrophobicContact CD1-CB 4.16Å; L114-M458 HydrophobicContact CD1-CG 3.87Å; L114-K461 HydrophobicContact CD2-CB 4.45Å; L114-K461 HydrophobicContact CD2-CD 3.55Å; L114-K461 HydrophobicContact CG-CD 4.01Å
115	W	89.4	Confident	90.2	Very high	73 Å²	73	57.5 Å²	57.5	28%	0.277	30%	0.299	S	S	.	.			trans	-54.4	115	-178.9	-70.6	16.5	0	0	0	111.4	L109 D110 Q376 V438	L109-W115 HydrophobicContact CB-CE3 4.39Å; L109-W115 HydrophobicContact CB-CH2 4.43Å; L109-W115 HydrophobicContact CB-CZ3 3.84Å; L109-W115 HydrophobicContact CD1-CZ3 4.01Å; D110-W115 HydrophobicContact CB-CB 4.14Å; D110-W115 HydrophobicContact CB-CD2 3.75Å; D110-W115 HydrophobicContact CB-CE3 4.29Å; D110-W115 HydrophobicContact CB-CG 3.66Å; D110-W115 PolarHBondContact OD2-N 3.18Å; W115-Q376 HydrophobicContact CZ2-CG 4.38Å; W115-V438 HydrophobicContact CH2-CB 4.45Å; W115-V438 HydrophobicContact CH2-CG1 3.63Å; W115-V438 HydrophobicContact CH2-CG2 3.91Å; W115-V438 HydrophobicContact CZ2-CG1 3.58Å; W115-V438 HydrophobicContact CZ3-CG1 4.47Å
116	Q	80.8	Confident	89.8	Confident	176 Å²	176	58.8 Å²	58.8	82%	0.822	32%	0.315	S	S	*	.			trans	-88.2	103.9	167.1	-57.6	-52.7	-72.3	0	0	107.3	L114	L114-Q116 PolarHBondContact O-N 2.98Å; L114-Q116 VanDerWaalsContact O-N 3.11Å; L114-Q116 PolarHBondContact O-NE2 2.92Å
117	Q	81.4	Confident	89.6	Confident	76 Å²	76	61.8 Å²	61.8	36%	0.355	33%	0.327	S	S	.	.			trans	-82.5	128.6	178.2	-72.3	169.2	-20.7	0	0	110	Q105 A107	Q105-Q117 WeakPolarHBondContact O-CG 3.29Å; Q105-Q117 PolarHBondContact O-NE2 2.67Å; Q105-Q117 PolarHBondContact O-OE1 3.44Å; A107-Q117 PolarHBondContact O-NE2 3.29Å
118	D	82.8	Confident	89.2	Confident	151 Å²	151	62.3 Å²	62.3	81%	0.807	33%	0.33	S	S	*	.			trans	-63.8	136.5	171.2	-80.3	-44.2	0	0	0	110.4	V120	D118-V120 PolarHBondContact O-N 2.87Å; D118-V120 VanDerWaalsContact O-N 3.09Å
119	K	84.1	Confident	88.6	Confident	196 Å²	196	63.2 Å²	63.2	85%	0.852	33%	0.334	S	S	*	.			trans	-67.2	111.3	-177.8	-72.9	-168.4	175.6	-170.3	0	111.4	A121	K119-A121 PolarHBondContact O-N 3.41Å; K119-A121 VanDerWaalsContact O-N 3.15Å
120	V	88.6	Confident	87.9	Confident	7 Å²	7	63.5 Å²	63.5	4%	0.042	34%	0.336	C	S	.	.			trans	-73.4	102.4	170.7	-179	0	0	0	0	109.6	R102 Q105 H106 D118 D122 L123	R102-V120 HydrophobicContact CB-CG1 4.07Å; R102-V120 VanDerWaalsContact CZ-CG1 3.46Å; Q105-V120 HydrophobicContact CB-CG2 3.79Å; H106-V120 PolarHBondContact CE1-N 3.39Å; H106-V120 PolarHBondContact NE2-N 3.08Å; D118-V120 PolarHBondContact O-N 2.87Å; D118-V120 VanDerWaalsContact O-N 3.09Å; V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 WeakPolarHBondContact CG1-OD1 3.21Å; V120-D122 PolarHBondContact O-N 2.8Å; V120-L123 HydrophobicContact CB-CB 4.42Å; V120-L123 HydrophobicContact CB-CD1 3.86Å; V120-L123 HydrophobicContact CB-CG 4.01Å; V120-L123 HydrophobicContact CG1-CB 4.31Å; V120-L123 HydrophobicContact CG1-CD1 3.89Å; V120-L123 HydrophobicContact CG1-CG 3.62Å; V120-L123 HydrophobicContact CG2-CD1 4.37Å; V120-L123 PolarHBondContact O-N 2.97Å; V120-L123 VanDerWaalsContact O-N 3.16Å
121	A	89.8	Confident	86.7	Confident	53 Å²	53	67 Å²	67	44%	0.438	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.2	-40.1	-177	0	0	0	0	0	113.1	K119 L123 D124 F127	K119-A121 PolarHBondContact O-N 3.41Å; K119-A121 VanDerWaalsContact O-N 3.15Å; A121-L123 PolarHBondContact O-N 2.89Å; A121-L123 VanDerWaalsContact O-N 3.16Å; A121-D124 WeakPolarHBondContact O-CB 3.12Å; A121-D124 PolarHBondContact O-N 3.44Å; A121-D124 VanDerWaalsContact O-N 3.1Å; A121-F127 HydrophobicContact CB-CD2 3.82Å; A121-F127 HydrophobicContact CB-CE2 4Å; A121-F127 WeakPolarHBondContact O-CB 3.37Å
122	D	89.4	Confident	85.2	Confident	31 Å²	31	75.3 Å²	75.3	17%	0.166	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-74.4	1.5	-178.6	58.3	-62.2	0	0	0	114.9	A98 R102 V120 F127 H128	A98-D122 HydrophobicContact CB-CB 4.27Å; A98-D122 WeakPolarHBondContact CB-O 3.44Å; R102-D122 VanDerWaalsContact CD-OD2 3.24Å; R102-D122 WeakPolarHBondContact CD-OD2 3.33Å; R102-D122 IonicContact CZ-OD1 2.68Å; R102-D122 IonicContact NE-OD1 3.68Å; R102-D122 IonicContact NH1-OD1 3.83Å; R102-D122 PolarHBondContact NH1-OD1 3.43Å; V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 WeakPolarHBondContact CG1-OD1 3.21Å; V120-D122 PolarHBondContact O-N 2.8Å; D122-F127 HydrophobicContact CB-CD1 3.86Å; D122-F127 HydrophobicContact CB-CE1 3.74Å; D122-F127 HydrophobicContact CB-CZ 4.32Å; D122-H128 PolarHBondContact O-NE2 3.48Å
123	L	90.1	Very high	83.3	Confident	3 Å²	3	83.5 Å²	83.5	2%	0.016	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-95.8	-6.7	168	-63.4	-179.3	0	0	0	113.6	A98 Y99 R102 H106 V120 A121	A98-L123 VanDerWaalsContact C-CD2 3.44Å; A98-L123 HydrophobicContact CB-CD2 4.11Å; A98-L123 WeakPolarHBondContact O-CD2 3.4Å; Y99-L123 VanDerWaalsContact CA-CD2 3.47Å; Y99-L123 HydrophobicContact CD1-CD2 4.17Å; Y99-L123 HydrophobicContact CD2-CD2 3.58Å; Y99-L123 HydrophobicContact CE1-CD2 4.39Å; Y99-L123 HydrophobicContact CE2-CB 4.06Å; Y99-L123 HydrophobicContact CE2-CD2 3.81Å; Y99-L123 VanDerWaalsContact CE2-O 3.28Å; Y99-L123 WeakPolarHBondContact CE2-O 3.45Å; Y99-L123 HydrophobicContact CG-CD2 3.75Å; Y99-L123 PolarHBondContact OH-O 2.92Å; R102-L123 HydrophobicContact CB-CD1 4.43Å; H106-L123 HydrophobicContact CB-CD1 4.16Å; H106-L123 WeakPolarHBondContact ND1-CD1 3.49Å; V120-L123 HydrophobicContact CB-CB 4.42Å; V120-L123 HydrophobicContact CB-CD1 3.86Å; V120-L123 HydrophobicContact CB-CG 4.01Å; V120-L123 HydrophobicContact CG1-CB 4.31Å; V120-L123 HydrophobicContact CG1-CD1 3.89Å; V120-L123 HydrophobicContact CG1-CG 3.62Å; V120-L123 HydrophobicContact CG2-CD1 4.37Å; V120-L123 PolarHBondContact O-N 2.97Å; V120-L123 VanDerWaalsContact O-N 3.16Å; A121-L123 PolarHBondContact O-N 2.89Å; A121-L123 VanDerWaalsContact O-N 3.16Å
124	D	88	Confident	81.5	Confident	82 Å²	82	84.7 Å²	84.7	44%	0.439	43%	0.433	S	S	.	.	S	Bend	trans	-85.7	126.5	172.8	-165	-55.4	0	0	0	109.9	A121 S126 F127	A121-D124 WeakPolarHBondContact O-CB 3.12Å; A121-D124 PolarHBondContact O-N 3.44Å; A121-D124 VanDerWaalsContact O-N 3.1Å; D124-S126 VanDerWaalsContact CG-OG 3.27Å; D124-S126 PolarHBondContact O-N 2.64Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-S126 VanDerWaalsContact OD1-CB 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.31Å; D124-S126 PolarHBondContact OD1-N 3.08Å; D124-S126 PolarHBondContact OD1-OG 3.22Å; D124-F127 WeakPolarHBondContact O-CB 3.37Å; D124-F127 PolarHBondContact O-N 3.48Å; D124-F127 VanDerWaalsContact O-N 3.09Å
125	P	85.8	Confident	79.9	Confident	23 Å²	23	82.8 Å²	82.8	15%	0.149	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-54.9	-32	177.1	-25.4	34.3	0	0	0	113.7	L95 F127 H128 L130 L142	L95-P125 HydrophobicContact CD2-CB 4.37Å; L95-P125 HydrophobicContact CD2-CG 4.29Å; P125-F127 VanDerWaalsContact C-N 3.26Å; P125-F127 PolarHBondContact O-N 2.9Å; P125-H128 PolarHBondContact O-N 3.23Å; P125-L130 CarbonylContact C-O 3.52Å; P125-L130 HydrophobicContact CB-CB 3.98Å; P125-L130 WeakPolarHBondContact O-CB 3.46Å; P125-L130 PolarHBondContact O-N 3.44Å; P125-L130 VanDerWaalsContact O-N 3.08Å; P125-L142 HydrophobicContact CG-CD1 4.3Å; P125-L142 HydrophobicContact CG-CD2 3.73Å
126	S	86.6	Confident	78.2	Confident	81 Å²	81	85.6 Å²	85.6	57%	0.566	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27	179.7	65.8	0	0	0	0	113.3	D124 H128 D129	D124-S126 VanDerWaalsContact CG-OG 3.27Å; D124-S126 PolarHBondContact O-N 2.64Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-S126 VanDerWaalsContact OD1-CB 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.31Å; D124-S126 PolarHBondContact OD1-N 3.08Å; D124-S126 PolarHBondContact OD1-OG 3.22Å; S126-H128 PolarHBondContact O-N 3.33Å; S126-D129 PolarHBondContact O-N 2.89Å; S126-D129 VanDerWaalsContact O-N 3.17Å
127	F	88.7	Confident	77	Confident	121 Å²	121	83.5 Å²	83.5	53%	0.531	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23.2	172.7	-175.1	-88.3	0	0	0	112.6	A121 D122 D124 P125	A121-F127 HydrophobicContact CB-CD2 3.82Å; A121-F127 HydrophobicContact CB-CE2 4Å; A121-F127 WeakPolarHBondContact O-CB 3.37Å; D122-F127 HydrophobicContact CB-CD1 3.86Å; D122-F127 HydrophobicContact CB-CE1 3.74Å; D122-F127 HydrophobicContact CB-CZ 4.32Å; D124-F127 WeakPolarHBondContact O-CB 3.37Å; D124-F127 PolarHBondContact O-N 3.48Å; D124-F127 VanDerWaalsContact O-N 3.09Å; P125-F127 VanDerWaalsContact C-N 3.26Å; P125-F127 PolarHBondContact O-N 2.9Å
128	H	85.1	Confident	75.9	Confident	11 Å²	11	80.2 Å²	80.2	5%	0.051	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-101.6	15.5	178.3	-59.2	-96.3	0	0	0	112.5	K91 D122 P125 S126 L130	K91-H128 HydrophobicContact CB-CB 4.3Å; K91-H128 WeakPolarHBondContact CB-O 3.44Å; K91-H128 HydrophobicContact CD-CB 4.39Å; K91-H128 WeakPolarHBondContact CD-O 3.47Å; K91-H128 WeakPolarHBondContact CG-O 3.48Å; K91-H128 PolarHBondContact NZ-O 2.9Å; D122-H128 PolarHBondContact O-NE2 3.48Å; P125-H128 PolarHBondContact O-N 3.23Å; S126-H128 PolarHBondContact O-N 3.33Å; H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 HydrophobicContact CB-CD1 4.01Å; H128-L130 HydrophobicContact CB-CG 4.27Å; H128-L130 PolarHBondContact O-N 2.81Å
129	D	82.5	Confident	75	Confident	121 Å²	121	75.8 Å²	75.8	65%	0.647	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	26.4	-175.1	-48.3	-62.9	0	0	0	114.3	K91 S126	K91-D129 WeakPolarHBondContact CE-OD2 3.35Å; K91-D129 IonicContact NZ-OD2 2.79Å; K91-D129 PolarHBondContact NZ-OD2 2.75Å; S126-D129 PolarHBondContact O-N 2.89Å; S126-D129 VanDerWaalsContact O-N 3.17Å
130	L	80.7	Confident	74.4	Confident	8 Å²	8	74.6 Å²	74.6	4%	0.042	40%	0.404	C	S	.	.			trans	-100.7	110.5	179.9	-59.2	165.3	0	0	0	110.6	K91 V92 L95 P125 H128 F135	K91-L130 HydrophobicContact CB-CD1 4.3Å; K91-L130 HydrophobicContact CB-CD2 4.06Å; K91-L130 HydrophobicContact CB-CG 4.21Å; V92-L130 HydrophobicContact CG2-CD1 4.16Å; V92-L130 HydrophobicContact CG2-CD2 4.2Å; L95-L130 HydrophobicContact CB-CD1 4.49Å; L95-L130 HydrophobicContact CD2-CD1 4.01Å; P125-L130 CarbonylContact C-O 3.52Å; P125-L130 HydrophobicContact CB-CB 3.98Å; P125-L130 WeakPolarHBondContact O-CB 3.46Å; P125-L130 PolarHBondContact O-N 3.44Å; P125-L130 VanDerWaalsContact O-N 3.08Å; H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 HydrophobicContact CB-CD1 4.01Å; H128-L130 HydrophobicContact CB-CG 4.27Å; H128-L130 PolarHBondContact O-N 2.81Å; L130-F135 HydrophobicContact CB-CD2 4.2Å; L130-F135 HydrophobicContact CB-CE2 4.49Å; L130-F135 HydrophobicContact CD1-CD2 4.33Å; L130-F135 HydrophobicContact CD1-CE2 3.91Å; L130-F135 HydrophobicContact CD2-CD2 4.44Å
131	T	71.8	Confident	74	Confident	80 Å²	80	77 Å²	77	49%	0.491	42%	0.416	S	S	.	.			trans	-95.6	157.1	174.4	65.6	0	0	0	0	111.4	E133 T134 F135	T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 2.91Å; T131-T134 PolarHBondContact N-OG1 3.15Å; T131-T134 VanDerWaalsContact N-OG1 3.14Å; T131-T134 PolarHBondContact O-N 2.8Å; T131-T134 PolarHBondContact O-OG1 3.31Å; T131-F135 WeakPolarHBondContact O-CB 3.24Å; T131-F135 PolarHBondContact O-N 2.97Å
132	E	62.7	Low	73.7	Confident	186 Å²	186	75.4 Å²	75.4	87%	0.869	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-51.4	-42.8	-178.6	-63	-170.6	144.2	0	0	113	T134 F135	E132-T134 VanDerWaalsContact C-N 3.25Å; E132-T134 PolarHBondContact O-N 3.15Å; E132-F135 PolarHBondContact O-N 3.35Å
133	E	55.3	Low	73.5	Confident	176 Å²	176	79.4 Å²	79.4	82%	0.822	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33.8	177.7	-59.9	-176.5	145.6	0	0	113.2	T131 F135	T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 2.91Å; E133-F135 VanDerWaalsContact C-N 3.34Å
134	T	56.2	Low	73.4	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-84.1	-7.4	179.1	63.2	0	0	0	0	113.8	T131 E132	T131-T134 PolarHBondContact N-OG1 3.15Å; T131-T134 VanDerWaalsContact N-OG1 3.14Å; T131-T134 PolarHBondContact O-N 2.8Å; T131-T134 PolarHBondContact O-OG1 3.31Å; E132-T134 VanDerWaalsContact C-N 3.25Å; E132-T134 PolarHBondContact O-N 3.15Å
135	F	58.4	Low	73.5	Confident	19 Å²	19	78 Å²	78	8%	0.083	42%	0.417	C	S	.	.			trans	-114.5	24.7	-159.2	-155.1	-118.1	0	0	0	113.8	V92 L95 L130 T131 E132 E133 V137 G138 S139 L142	V92-F135 HydrophobicContact CG2-CE2 4.24Å; L95-F135 HydrophobicContact CD2-CE2 4.21Å; L95-F135 HydrophobicContact CD2-CZ 3.87Å; L130-F135 HydrophobicContact CB-CD2 4.2Å; L130-F135 HydrophobicContact CB-CE2 4.49Å; L130-F135 HydrophobicContact CD1-CD2 4.33Å; L130-F135 HydrophobicContact CD1-CE2 3.91Å; L130-F135 HydrophobicContact CD2-CD2 4.44Å; T131-F135 WeakPolarHBondContact O-CB 3.24Å; T131-F135 PolarHBondContact O-N 2.97Å; E132-F135 PolarHBondContact O-N 3.35Å; E133-F135 VanDerWaalsContact C-N 3.34Å; F135-V137 VanDerWaalsContact C-N 3.33Å; F135-V137 PolarHBondContact O-N 3.38Å; F135-G138 VanDerWaalsContact CD1-C 3.4Å; F135-G138 WeakPolarHBondContact CE1-O 3.2Å; F135-G138 WeakPolarHBondContact CZ-O 3.11Å; F135-G138 CarbonylContact O-C 3.46Å; F135-G138 WeakPolarHBondContact O-CA 3.4Å; F135-G138 PolarHBondContact O-N 2.82Å; F135-S139 PolarHBondContact O-N 3.39Å; F135-L142 HydrophobicContact CE1-CB 3.66Å; F135-L142 HydrophobicContact CE1-CD2 3.85Å; F135-L142 HydrophobicContact CE1-CG 4.34Å; F135-L142 HydrophobicContact CZ-CB 4.02Å
136	N	54.3	Low	73.8	Confident	133 Å²	133	80.9 Å²	80.9	71%	0.711	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33	-177.2	-91.9	-57.7	0	0	0	115.4	S139	N136-S139 PolarHBondContact O-OG 3.26Å
137	V	54.1	Low	73.9	Confident	132 Å²	132	83.1 Å²	83.1	80%	0.8	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-24.7	170.1	-170.7	0	0	0	0	111.1	F135	F135-V137 VanDerWaalsContact C-N 3.33Å; F135-V137 PolarHBondContact O-N 3.38Å
138	G	59.1	Low	74.1	Confident	7 Å²	7	78.7 Å²	78.7	7%	0.072	41%	0.411	C	S	.	.	H	α-helix	trans	-75.8	-26.3	-177.1	0	0	0	0	0	114.5	F135 F140 L141 L142	F135-G138 VanDerWaalsContact CD1-C 3.4Å; F135-G138 WeakPolarHBondContact CE1-O 3.2Å; F135-G138 WeakPolarHBondContact CZ-O 3.11Å; F135-G138 CarbonylContact O-C 3.46Å; F135-G138 WeakPolarHBondContact O-CA 3.4Å; F135-G138 PolarHBondContact O-N 2.82Å; G138-F140 PolarHBondContact O-N 3.09Å; G138-L141 CarbonylContact O-C 3.56Å; G138-L141 WeakPolarHBondContact O-CB 3.31Å; G138-L141 PolarHBondContact O-N 3.36Å; G138-L141 VanDerWaalsContact O-N 3.12Å; G138-L142 WeakPolarHBondContact O-CB 3.24Å; G138-L142 PolarHBondContact O-N 3.43Å
139	S	63.6	Low	74.5	Confident	58 Å²	58	78.2 Å²	78.2	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-56.9	-50.5	-179.3	55.7	0	0	0	0	112.3	F135 N136 L141 L142 E143	F135-S139 PolarHBondContact O-N 3.39Å; N136-S139 PolarHBondContact O-OG 3.26Å; S139-L141 PolarHBondContact O-N 3.26Å; S139-L142 PolarHBondContact O-N 3.09Å; S139-E143 PolarHBondContact O-N 3.49Å
140	F	71	Confident	75	Confident	170 Å²	170	73.5 Å²	73.5	75%	0.746	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-39.3	173.6	-70.7	-81.1	0	0	0	112.7	G138 A144	G138-F140 PolarHBondContact O-N 3.09Å; F140-A144 WeakPolarHBondContact O-CB 3.37Å; F140-A144 PolarHBondContact O-N 3.01Å
141	L	80.8	Confident	75.6	Confident	57 Å²	57	73.7 Å²	73.7	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-43.4	177.5	171.5	65.7	0	0	0	111.8	V92 I96 G138 S139 A144 L145	V92-L141 HydrophobicContact CG1-CD2 3.46Å; V92-L141 VanDerWaalsContact CG1-CD2 3.46Å; I96-L141 HydrophobicContact CD1-CD1 4.41Å; I96-L141 HydrophobicContact CD1-CD2 4Å; I96-L141 HydrophobicContact CG1-CD1 4.36Å; I96-L141 HydrophobicContact CG1-CD2 4.17Å; G138-L141 CarbonylContact O-C 3.56Å; G138-L141 WeakPolarHBondContact O-CB 3.31Å; G138-L141 PolarHBondContact O-N 3.36Å; G138-L141 VanDerWaalsContact O-N 3.12Å; S139-L141 PolarHBondContact O-N 3.26Å; L141-A144 PolarHBondContact O-N 3.06Å; L141-L145 HydrophobicContact CD1-CD1 4.25Å; L141-L145 HydrophobicContact CD1-CG 4.22Å; L141-L145 HydrophobicContact CG-CD1 4.09Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.36Å; L141-L145 PolarHBondContact O-N 2.88Å
142	L	83.8	Confident	76.7	Confident	21 Å²	21	71 Å²	71	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-38.9	178.5	177.3	66.1	0	0	0	111.3	Y99 P125 F135 G138 S139 L145 K146	Y99-L142 HydrophobicContact CE2-CD1 3.83Å; Y99-L142 WeakPolarHBondContact OH-CD1 3.43Å; P125-L142 HydrophobicContact CG-CD1 4.3Å; P125-L142 HydrophobicContact CG-CD2 3.73Å; F135-L142 HydrophobicContact CE1-CB 3.66Å; F135-L142 HydrophobicContact CE1-CD2 3.85Å; F135-L142 HydrophobicContact CE1-CG 4.34Å; F135-L142 HydrophobicContact CZ-CB 4.02Å; G138-L142 WeakPolarHBondContact O-CB 3.24Å; G138-L142 PolarHBondContact O-N 3.43Å; S139-L142 PolarHBondContact O-N 3.09Å; L142-L145 PolarHBondContact O-N 3.27Å; L142-K146 HydrophobicContact CG-CD 4.29Å; L142-K146 WeakPolarHBondContact O-CB 3.26Å; L142-K146 VanDerWaalsContact O-CG 3.26Å; L142-K146 WeakPolarHBondContact O-CG 3.31Å; L142-K146 PolarHBondContact O-N 2.89Å
143	E	86	Confident	78.2	Confident	115 Å²	115	62.6 Å²	62.6	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-68	-41	174.8	-165.7	56.9	-156.1	0	0	111.5	S139 K146 Q147	S139-E143 PolarHBondContact O-N 3.49Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-Q147 VanDerWaalsContact O-CB 3.31Å; E143-Q147 WeakPolarHBondContact O-CB 3.4Å; E143-Q147 PolarHBondContact O-N 3.48Å
144	A	88.1	Confident	80.2	Confident	45 Å²	45	54.2 Å²	54.2	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-42.6	171.8	0	0	0	0	0	112.4	F140 L141 Q147 T148	F140-A144 WeakPolarHBondContact O-CB 3.37Å; F140-A144 PolarHBondContact O-N 3.01Å; L141-A144 PolarHBondContact O-N 3.06Å; A144-Q147 PolarHBondContact O-N 2.91Å; A144-T148 WeakPolarHBondContact O-CB 3.21Å; A144-T148 PolarHBondContact O-N 3.38Å; A144-T148 PolarHBondContact O-OG1 2.96Å
145	L	90.1	Very high	82.1	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-42.6	175.1	-74.4	170.5	0	0	0	111.8	I96 Y99 L141 L142 T148 Y149	I96-L145 HydrophobicContact CG1-CD1 3.94Å; I96-L145 HydrophobicContact CG1-CD2 4.46Å; I96-L145 HydrophobicContact CG2-CD2 4.41Å; Y99-L145 HydrophobicContact CD1-CB 3.79Å; Y99-L145 HydrophobicContact CD2-CD1 4.2Å; Y99-L145 HydrophobicContact CE1-CB 4.3Å; Y99-L145 HydrophobicContact CG-CB 3.93Å; Y99-L145 HydrophobicContact CG-CD1 4.21Å; Y99-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 HydrophobicContact CD1-CD1 4.25Å; L141-L145 HydrophobicContact CD1-CG 4.22Å; L141-L145 HydrophobicContact CG-CD1 4.09Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.36Å; L141-L145 PolarHBondContact O-N 2.88Å; L142-L145 PolarHBondContact O-N 3.27Å; L145-T148 PolarHBondContact O-N 3Å; L145-Y149 HydrophobicContact CD2-CD2 4.05Å; L145-Y149 HydrophobicContact CD2-CE2 4.06Å; L145-Y149 WeakPolarHBondContact O-CB 3.37Å; L145-Y149 PolarHBondContact O-N 3.01Å
146	K	90.8	Very high	84	Confident	83 Å²	83	51.6 Å²	51.6	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-46.2	174.3	-74.9	169	179.1	174.3	0	111.6	Y99 L142 E143 T148 C150 G151	Y99-K146 HydrophobicContact CE1-CG 3.9Å; L142-K146 HydrophobicContact CG-CD 4.29Å; L142-K146 WeakPolarHBondContact O-CB 3.26Å; L142-K146 VanDerWaalsContact O-CG 3.26Å; L142-K146 WeakPolarHBondContact O-CG 3.31Å; L142-K146 PolarHBondContact O-N 2.89Å; E143-K146 PolarHBondContact O-N 2.85Å; K146-T148 VanDerWaalsContact C-N 3.29Å; K146-T148 PolarHBondContact O-N 2.87Å; K146-C150 HydrophobicContact CB-CB 4.5Å; K146-C150 CarbonylContact O-C 3.5Å; K146-C150 VanDerWaalsContact O-C 3.25Å; K146-C150 VanDerWaalsContact O-CA 3.25Å; K146-C150 WeakPolarHBondContact O-CA 3.24Å; K146-C150 WeakPolarHBondContact O-CB 2.99Å; K146-C150 PolarHBondContact O-N 2.8Å; K146-G151 PolarHBondContact O-N 3Å
147	Q	89.6	Confident	86.1	Confident	129 Å²	129	45.3 Å²	45.3	60%	0.603	25%	0.245	S	C	*	.	H	α-helix	trans	-60.8	-38.8	177.9	-168.4	-176	29.9	0	0	111.9	E143 A144 R177	E143-Q147 VanDerWaalsContact O-CB 3.31Å; E143-Q147 WeakPolarHBondContact O-CB 3.4Å; E143-Q147 PolarHBondContact O-N 3.48Å; A144-Q147 PolarHBondContact O-N 2.91Å; Q147-R177 PolarHBondContact O-NH2 3.43Å
148	T	92.2	Very high	88.2	Confident	27 Å²	27	39.8 Å²	39.8	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-76.8	-49.9	179.5	-62.4	0	0	0	0	112.9	A144 L145 K146 I173	A144-T148 WeakPolarHBondContact O-CB 3.21Å; A144-T148 PolarHBondContact O-N 3.38Å; A144-T148 PolarHBondContact O-OG1 2.96Å; L145-T148 PolarHBondContact O-N 3Å; K146-T148 VanDerWaalsContact C-N 3.29Å; K146-T148 PolarHBondContact O-N 2.87Å; T148-I173 HydrophobicContact CG2-CB 4.14Å; T148-I173 HydrophobicContact CG2-CG1 4.03Å; T148-I173 WeakPolarHBondContact CG2-O 3.26Å
149	Y	93.9	Very high	90	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-106.3	-17.8	-167.5	-67.8	-72.7	0	0	0	115.5	R100 G103 H104 L145 Y157 I173 E174	R100-Y149 HydrophobicContact CG-CE1 4.37Å; R100-Y149 HydrophobicContact CG-CE2 4.03Å; G103-Y149 CarbonylContact C-O 3.45Å; H104-Y149 PolarHBondContact N-O 3.42Å; L145-Y149 HydrophobicContact CD2-CD2 4.05Å; L145-Y149 HydrophobicContact CD2-CE2 4.06Å; L145-Y149 WeakPolarHBondContact O-CB 3.37Å; L145-Y149 PolarHBondContact O-N 3.01Å; Y149-Y157 AromaticContact CE1-CE1 3.94Å; Y149-Y157 HydrophobicContact CE1-CE1 3.94Å; Y149-Y157 PolarHBondContact OH-OH 2.81Å; Y149-I173 HydrophobicContact CD1-CD1 4.47Å; Y149-I173 HydrophobicContact CE1-CD1 3.47Å; Y149-I173 VanDerWaalsContact CE1-CD1 3.47Å; Y149-I173 HydrophobicContact CE1-CG1 4.34Å; Y149-I173 WeakPolarHBondContact OH-CD1 3.34Å; Y149-E174 HydrophobicContact CE2-CG 4.27Å; Y149-E174 WeakPolarHBondContact OH-CG 3.39Å; Y149-E174 PolarHBondContact OH-OE1 3.13Å
150	C	93.2	Very high	91.6	Very high	22 Å²	22	39.4 Å²	39.4	15%	0.149	20%	0.201	C	C	.	.	S	Bend	trans	-119.9	8	-178.2	-54.1	0	0	0	0	113	G103 A107 N108 K146	G103-C150 PolarHBondContact O-SG 2.89Å; A107-C150 WeakPolarHBondContact CA-O 3.42Å; N108-C150 PolarHBondContact N-O 3.49Å; K146-C150 HydrophobicContact CB-CB 4.5Å; K146-C150 CarbonylContact O-C 3.5Å; K146-C150 VanDerWaalsContact O-C 3.25Å; K146-C150 VanDerWaalsContact O-CA 3.25Å; K146-C150 WeakPolarHBondContact O-CA 3.24Å; K146-C150 WeakPolarHBondContact O-CB 2.99Å; K146-C150 PolarHBondContact O-N 2.8Å
151	G	92.5	Very high	92.9	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	20%	0.196	C	C	.	.	S	Bend	trans	-77.8	-153.9	176.4	0	0	0	0	0	112.7	N108 K146 I153	N108-G151 PolarHBondContact N-O 2.8Å; K146-G151 PolarHBondContact O-N 3Å; G151-I153 PolarHBondContact O-N 2.9Å
152	P	94.5	Very high	93.7	Very high	25 Å²	25	35.3 Å²	35.3	16%	0.162	19%	0.194	C	C	.	.	S	Bend	trans	-66.2	4.9	171.6	27.5	-37.8	0	0	0	114.9	V407 N408 D411 A414	P152-V407 WeakPolarHBondContact O-CA 3.46Å; P152-N408 HydrophobicContact CB-CB 4.04Å; P152-N408 PolarHBondContact O-N 2.88Å; P152-D411 HydrophobicContact CB-CB 4.08Å; P152-D411 HydrophobicContact CG-CB 4.39Å; P152-D411 WeakPolarHBondContact CG-OD2 3.46Å; P152-A414 HydrophobicContact CB-CB 4.19Å; P152-A414 HydrophobicContact CG-CB 4.07Å
153	I	95.8	Very high	94.3	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.7	176.3	-55.1	168.2	0	0	0	107.8	G151 H406 V407 A414 F417 V418	G151-I153 PolarHBondContact O-N 2.9Å; I153-H406 CarbonylContact C-O 3.51Å; I153-H406 WeakPolarHBondContact CA-O 3.11Å; I153-V407 HydrophobicContact CG1-CG2 4.23Å; I153-A414 HydrophobicContact CD1-CB 3.99Å; I153-A414 HydrophobicContact CG1-CB 3.79Å; I153-F417 HydrophobicContact CD1-CD1 3.72Å; I153-F417 HydrophobicContact CD1-CE1 4.26Å; I153-V418 HydrophobicContact CD1-CG2 3.88Å; I153-V418 HydrophobicContact CG1-CG2 3.96Å; I153-V418 HydrophobicContact CG2-CG2 3.77Å
154	G	96.4	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.8	165.7	0	0	0	0	0	108.9	H406	G154-H406 PolarHBondContact N-O 3.42Å; G154-H406 PolarHBondContact O-CD2 3.37Å; G154-H406 VanDerWaalsContact O-CD2 3.29Å; G154-H406 PolarHBondContact O-N 3.36Å
155	A	97.1	Very high	95.3	Very high	4 Å²	4	38 Å²	38	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.2	179.8	0	0	0	0	0	110.6	Y157 I173 F405	A155-Y157 HydrophobicContact CB-CD1 4.18Å; A155-Y157 HydrophobicContact CB-CE1 4.45Å; A155-I173 HydrophobicContact CB-CD1 4.14Å; A155-F405 HydrophobicContact CB-CD1 3.96Å; A155-F405 HydrophobicContact CB-CE1 4.08Å
156	E	97.8	Very high	95.6	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.107	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.9	174.1	-171.2	173.1	-150	0	0	110.2	H104 H159 K398 I404 H406	H104-E156 IonicContact CE1-OE1 3.25Å; H104-E156 PolarHBondContact CE1-OE1 3.22Å; H104-E156 VanDerWaalsContact CE1-OE1 3.25Å; H104-E156 IonicContact CE1-OE2 3.03Å; H104-E156 IonicContact ND1-OE2 2.7Å; H104-E156 IonicContact NE2-OE1 2.72Å; E156-H159 PolarHBondContact O-CE1 3.27Å; E156-K398 VanDerWaalsContact OE1-CE 3.27Å; E156-K398 WeakPolarHBondContact OE1-CE 3.29Å; E156-K398 IonicContact OE1-NZ 3.65Å; E156-K398 PolarHBondContact OE1-NZ 3.02Å; E156-K398 WeakPolarHBondContact OE2-CE 3.42Å; E156-K398 IonicContact OE2-NZ 3.07Å; E156-K398 PolarHBondContact OE2-NZ 3.41Å; E156-I404 HydrophobicContact CB-CB 4.39Å; E156-I404 PolarHBondContact N-O 2.84Å; E156-I404 PolarHBondContact O-N 3.49Å; E156-H406 IonicContact OE2-NE2 3.86Å
157	Y	98	Very high	95.9	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.224	C	C	.	.			trans	-152.6	-11.2	-171.8	70.9	-73.1	0	0	0	113.9	Y149 A155 H159 I160 K166 I169 Q170 I173	Y149-Y157 AromaticContact CE1-CE1 3.94Å; Y149-Y157 HydrophobicContact CE1-CE1 3.94Å; Y149-Y157 PolarHBondContact OH-OH 2.81Å; A155-Y157 HydrophobicContact CB-CD1 4.18Å; A155-Y157 HydrophobicContact CB-CE1 4.45Å; Y157-H159 PolarHBondContact O-N 2.91Å; Y157-I160 VanDerWaalsContact O-CB 3.27Å; Y157-I160 WeakPolarHBondContact O-CB 3.42Å; Y157-I160 WeakPolarHBondContact O-CD1 3.39Å; Y157-I160 WeakPolarHBondContact O-CG1 3.34Å; Y157-I160 PolarHBondContact O-N 2.87Å; Y157-K166 HydrophobicContact CD2-CG 4.3Å; Y157-K166 HydrophobicContact CE2-CB 4.45Å; Y157-I169 HydrophobicContact CD1-CG2 4.02Å; Y157-I169 HydrophobicContact CD2-CB 3.78Å; Y157-I169 HydrophobicContact CD2-CD1 3.99Å; Y157-I169 HydrophobicContact CD2-CG1 4.48Å; Y157-I169 HydrophobicContact CD2-CG2 3.58Å; Y157-I169 HydrophobicContact CE1-CG2 4.29Å; Y157-I169 HydrophobicContact CE2-CB 4.05Å; Y157-I169 HydrophobicContact CE2-CG2 3.82Å; Y157-I169 HydrophobicContact CG-CB 4.3Å; Y157-I169 HydrophobicContact CG-CD1 4.1Å; Y157-I169 HydrophobicContact CG-CG2 3.68Å; Y157-Q170 HydrophobicContact CE2-CG 3.93Å; Y157-Q170 WeakPolarHBondContact OH-CG 3.42Å; Y157-I173 HydrophobicContact CE1-CD1 4.15Å
158	M	97.5	Very high	96.3	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.079	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.9	-176.2	-72.2	-66.2	-71.4	0	0	113.5	R100 F101 I160 K166	R100-M158 HydrophobicContact CB-CE 4.41Å; R100-M158 HydrophobicContact CB-CG 3.92Å; R100-M158 HydrophobicContact CB-SD 4.18Å; R100-M158 WeakPolarHBondContact O-CG 3.36Å; F101-M158 HydrophobicContact CD1-CB 3.6Å; F101-M158 HydrophobicContact CD2-CB 3.92Å; F101-M158 HydrophobicContact CD2-CE 3.77Å; F101-M158 HydrophobicContact CD2-CG 4.12Å; F101-M158 HydrophobicContact CE1-CB 3.64Å; F101-M158 HydrophobicContact CE2-CB 3.97Å; F101-M158 HydrophobicContact CE2-CE 3.37Å; F101-M158 HydrophobicContact CE2-CG 4.36Å; F101-M158 HydrophobicContact CG-CB 3.76Å; F101-M158 HydrophobicContact CG-CG 4.24Å; F101-M158 HydrophobicContact CZ-CB 3.83Å; F101-M158 HydrophobicContact CZ-CE 4.05Å; M158-I160 VanDerWaalsContact C-N 3.27Å; M158-I160 PolarHBondContact O-N 3.01Å; M158-K166 HydrophobicContact CE-CD 4.21Å; M158-K166 PolarHBondContact O-NZ 2.98Å; M158-K166 HydrophobicContact SD-CD 3.77Å; M158-K166 HydrophobicContact SD-CG 4.25Å
159	H	97.6	Very high	96.5	Very high	57 Å²	57	38.6 Å²	38.6	26%	0.264	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.4	172	62.7	-69.4	0	0	0	114.1	E156 Y157 A402	E156-H159 PolarHBondContact O-CE1 3.27Å; Y157-H159 PolarHBondContact O-N 2.91Å; H159-A402 PolarHBondContact CE1-O 3.14Å; H159-A402 PolarHBondContact NE2-O 3.18Å
160	I	97.6	Very high	96.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.			trans	-57.2	144.4	174	-64.3	175.5	0	0	0	109.7	Y157 M158 E165 K166 I169 Q401 P403	Y157-I160 VanDerWaalsContact O-CB 3.27Å; Y157-I160 WeakPolarHBondContact O-CB 3.42Å; Y157-I160 WeakPolarHBondContact O-CD1 3.39Å; Y157-I160 WeakPolarHBondContact O-CG1 3.34Å; Y157-I160 PolarHBondContact O-N 2.87Å; M158-I160 VanDerWaalsContact C-N 3.27Å; M158-I160 PolarHBondContact O-N 3.01Å; I160-E165 HydrophobicContact CG2-CB 4.11Å; I160-E165 VanDerWaalsContact CG2-OE2 3.3Å; I160-E165 WeakPolarHBondContact CG2-OE2 3.46Å; I160-K166 WeakPolarHBondContact O-CE 3.49Å; I160-K166 PolarHBondContact O-NZ 3.01Å; I160-I169 HydrophobicContact CD1-CD1 4.21Å; I160-Q401 WeakPolarHBondContact CG1-O 3.32Å; I160-P403 HydrophobicContact CD1-CB 4.04Å; I160-P403 HydrophobicContact CD1-CG 4.39Å
161	T	97.3	Very high	96.6	Very high	104 Å²	104	44.9 Å²	44.9	64%	0.638	22%	0.223	S	C	*	.	S	Bend	trans	-83.2	-36.8	174.4	50.6	0	0	0	0	113	T163 Q401	T161-T163 PolarHBondContact O-N 3.04Å; T161-Q401 PolarHBondContact OG1-OE1 3.35Å
162	S	97.3	Very high	96.6	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	24%	0.237	S	C	.	.			trans	-58.5	121.1	177.6	-179.1	0	0	0	0	112.8	E165 K166	S162-E165 PolarHBondContact OG-N 2.99Å; S162-K166 PolarHBondContact O-N 3.17Å
163	T	96.7	Very high	96.4	Very high	87 Å²	87	48.8 Å²	48.8	53%	0.534	23%	0.232	S	C	.	.	H	α-helix	trans	-74.9	-29	175.4	-63.5	0	0	0	0	112.1	T161 R167	T161-T163 PolarHBondContact O-N 3.04Å; T163-R167 HydrophobicContact CG2-CG 4.5Å; T163-R167 WeakPolarHBondContact O-CB 3.24Å; T163-R167 WeakPolarHBondContact O-CG 3.37Å; T163-R167 PolarHBondContact O-N 3.06Å
164	E	97.6	Very high	96.2	Very high	138 Å²	138	51.6 Å²	51.6	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-65	-49.4	176.3	-172.6	-178.6	166.1	0	0	110.7	K166 R167 W168 F429	E164-K166 PolarHBondContact O-N 3.48Å; E164-R167 PolarHBondContact O-N 2.75Å; E164-W168 WeakPolarHBondContact O-CB 3.46Å; E164-W168 PolarHBondContact O-N 3.21Å; E164-F429 HydrophobicContact CG-CE1 4.11Å
165	E	97.3	Very high	95.5	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.065	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-44.8	176.8	-70.2	177.7	-150.1	0	0	112	I160 S162 R167 W168 I169 F425 F429 R431	I160-E165 HydrophobicContact CG2-CB 4.11Å; I160-E165 VanDerWaalsContact CG2-OE2 3.3Å; I160-E165 WeakPolarHBondContact CG2-OE2 3.46Å; S162-E165 PolarHBondContact OG-N 2.99Å; E165-R167 PolarHBondContact O-N 2.87Å; E165-W168 PolarHBondContact O-N 2.75Å; E165-I169 WeakPolarHBondContact O-CG1 3.44Å; E165-I169 PolarHBondContact O-N 3.01Å; E165-F425 HydrophobicContact CB-CE2 4.19Å; E165-F425 HydrophobicContact CG-CE2 4.03Å; E165-F425 HydrophobicContact CG-CZ 4.41Å; E165-F425 WeakPolarHBondContact OE2-CZ 3.41Å; E165-F429 HydrophobicContact CB-CZ 4.49Å; E165-F429 HydrophobicContact CG-CD1 3.65Å; E165-F429 HydrophobicContact CG-CD2 4.02Å; E165-F429 HydrophobicContact CG-CE1 3.76Å; E165-F429 HydrophobicContact CG-CE2 4.1Å; E165-F429 HydrophobicContact CG-CG 3.79Å; E165-F429 HydrophobicContact CG-CZ 3.97Å; E165-R431 IonicContact OE1-CZ 3.96Å; E165-R431 IonicContact OE1-NH1 3.52Å; E165-R431 PolarHBondContact OE1-NH1 2.97Å; E165-R431 IonicContact OE2-CZ 2.94Å; E165-R431 IonicContact OE2-NH1 3.22Å; E165-R431 PolarHBondContact OE2-NH1 2.99Å
166	K	97.7	Very high	94	Very high	39 Å²	39	57.3 Å²	57.3	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-45.1	175.7	-75.8	-172.3	-122.1	-144.1	0	112.5	Y157 M158 I160 S162 E164 I169 Q170	Y157-K166 HydrophobicContact CD2-CG 4.3Å; Y157-K166 HydrophobicContact CE2-CB 4.45Å; M158-K166 HydrophobicContact CE-CD 4.21Å; M158-K166 PolarHBondContact O-NZ 2.98Å; M158-K166 HydrophobicContact SD-CD 3.77Å; M158-K166 HydrophobicContact SD-CG 4.25Å; I160-K166 WeakPolarHBondContact O-CE 3.49Å; I160-K166 PolarHBondContact O-NZ 3.01Å; S162-K166 PolarHBondContact O-N 3.17Å; E164-K166 PolarHBondContact O-N 3.48Å; K166-I169 PolarHBondContact O-N 2.77Å; K166-Q170 WeakPolarHBondContact O-CB 3.37Å; K166-Q170 WeakPolarHBondContact O-CG 3.27Å; K166-Q170 PolarHBondContact O-N 3.39Å
167	R	96.6	Very high	92.6	Very high	173 Å²	173	60.1 Å²	60.1	65%	0.653	30%	0.301	S	S	*	.	H	α-helix	trans	-68.9	-37.5	179.3	-76.9	-179.4	173.4	-177.3	-1.6	112.1	T163 E164 E165 Q170 Q171	T163-R167 HydrophobicContact CG2-CG 4.5Å; T163-R167 WeakPolarHBondContact O-CB 3.24Å; T163-R167 WeakPolarHBondContact O-CG 3.37Å; T163-R167 PolarHBondContact O-N 3.06Å; E164-R167 PolarHBondContact O-N 2.75Å; E165-R167 PolarHBondContact O-N 2.87Å; R167-Q170 PolarHBondContact O-N 3.17Å; R167-Q171 WeakPolarHBondContact O-CB 3.46Å; R167-Q171 PolarHBondContact O-N 3.29Å
168	W	97.6	Very high	91.2	Very high	48 Å²	48	62.7 Å²	62.7	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-46.5	174.7	-173.9	105.9	0	0	0	111.1	E164 E165 Q171 R172 L421 D424 F425 F429	E164-W168 WeakPolarHBondContact O-CB 3.46Å; E164-W168 PolarHBondContact O-N 3.21Å; E165-W168 PolarHBondContact O-N 2.75Å; W168-Q171 PolarHBondContact O-N 3Å; W168-R172 HydrophobicContact CD2-CG 4.25Å; W168-R172 HydrophobicContact CE3-CG 4.11Å; W168-R172 HydrophobicContact CH2-CG 4.1Å; W168-R172 HydrophobicContact CZ2-CG 4.27Å; W168-R172 HydrophobicContact CZ3-CG 4.03Å; W168-R172 WeakPolarHBondContact O-CG 3.43Å; W168-R172 PolarHBondContact O-N 3.09Å; W168-L421 HydrophobicContact CH2-CD1 4Å; W168-L421 HydrophobicContact CZ3-CD1 3.63Å; W168-D424 HydrophobicContact CH2-CB 3.62Å; W168-D424 HydrophobicContact CZ2-CB 3.81Å; W168-F425 HydrophobicContact CE3-CD2 4.35Å; W168-F425 HydrophobicContact CH2-CB 4.04Å; W168-F425 HydrophobicContact CZ3-CB 3.88Å; W168-F425 HydrophobicContact CZ3-CD2 4.27Å; W168-F429 HydrophobicContact CB-CE2 3.94Å; W168-F429 HydrophobicContact CB-CZ 3.69Å; W168-F429 AromaticContact CD1-CE2 3.93Å; W168-F429 AromaticContact CD1-CZ 3.76Å; W168-F429 AromaticContact CD2-CE2 3.67Å; W168-F429 HydrophobicContact CD2-CE2 3.67Å; W168-F429 HydrophobicContact CD2-CZ 4.22Å; W168-F429 HydrophobicContact CE3-CE2 4.07Å; W168-F429 AromaticContact CG-CE2 3.61Å; W168-F429 HydrophobicContact CG-CE2 3.61Å; W168-F429 AromaticContact CG-CZ 3.64Å; W168-F429 HydrophobicContact CG-CZ 3.64Å
169	I	96.4	Very high	90.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-47.2	176.8	-66.9	171.3	0	0	0	110.3	Y157 I160 E165 K166 Q171 R172 I173 P403 F405 F425	Y157-I169 HydrophobicContact CD1-CG2 4.02Å; Y157-I169 HydrophobicContact CD2-CB 3.78Å; Y157-I169 HydrophobicContact CD2-CD1 3.99Å; Y157-I169 HydrophobicContact CD2-CG1 4.48Å; Y157-I169 HydrophobicContact CD2-CG2 3.58Å; Y157-I169 HydrophobicContact CE1-CG2 4.29Å; Y157-I169 HydrophobicContact CE2-CB 4.05Å; Y157-I169 HydrophobicContact CE2-CG2 3.82Å; Y157-I169 HydrophobicContact CG-CB 4.3Å; Y157-I169 HydrophobicContact CG-CD1 4.1Å; Y157-I169 HydrophobicContact CG-CG2 3.68Å; I160-I169 HydrophobicContact CD1-CD1 4.21Å; E165-I169 WeakPolarHBondContact O-CG1 3.44Å; E165-I169 PolarHBondContact O-N 3.01Å; K166-I169 PolarHBondContact O-N 2.77Å; I169-Q171 PolarHBondContact O-N 3.47Å; I169-R172 PolarHBondContact O-N 2.93Å; I169-R172 VanDerWaalsContact O-N 3.15Å; I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.27Å; I169-I173 PolarHBondContact O-N 3.08Å; I169-P403 HydrophobicContact CD1-CB 3.9Å; I169-P403 HydrophobicContact CD1-CG 4.35Å; I169-F405 HydrophobicContact CD1-CZ 4.43Å; I169-F405 HydrophobicContact CG2-CE1 4.33Å; I169-F405 HydrophobicContact CG2-CZ 4.45Å; I169-F425 HydrophobicContact CD1-CD2 4.09Å; I169-F425 HydrophobicContact CD1-CE2 4.06Å; I169-F425 HydrophobicContact CG1-CD2 4.25Å
170	Q	94.6	Very high	90.1	Very high	27 Å²	27	66.3 Å²	66.3	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-52.3	-53	173.7	-77.7	161.5	4.2	0	0	111.4	Y157 K166 R167 R172 I173 E174	Y157-Q170 HydrophobicContact CE2-CG 3.93Å; Y157-Q170 WeakPolarHBondContact OH-CG 3.42Å; K166-Q170 WeakPolarHBondContact O-CB 3.37Å; K166-Q170 WeakPolarHBondContact O-CG 3.27Å; K166-Q170 PolarHBondContact O-N 3.39Å; R167-Q170 PolarHBondContact O-N 3.17Å; Q170-R172 VanDerWaalsContact C-N 3.28Å; Q170-R172 PolarHBondContact O-N 3.15Å; Q170-I173 PolarHBondContact O-N 3.43Å; Q170-E174 VanDerWaalsContact O-CB 3.26Å; Q170-E174 WeakPolarHBondContact O-CB 3.43Å; Q170-E174 WeakPolarHBondContact O-CG 3.48Å; Q170-E174 PolarHBondContact O-N 2.99Å
171	Q	93.8	Very high	89.9	Confident	129 Å²	129	70.1 Å²	70.1	60%	0.603	37%	0.369	S	S	*	.	H	α-helix	trans	-57.3	-41.4	179	-168.5	72.1	56	0	0	111.8	R167 W168 I169 S175	R167-Q171 WeakPolarHBondContact O-CB 3.46Å; R167-Q171 PolarHBondContact O-N 3.29Å; W168-Q171 PolarHBondContact O-N 3Å; I169-Q171 PolarHBondContact O-N 3.47Å; Q171-S175 PolarHBondContact NE2-OG 3.39Å; Q171-S175 VanDerWaalsContact O-CB 3.24Å; Q171-S175 WeakPolarHBondContact O-CB 3.38Å; Q171-S175 PolarHBondContact O-N 3.39Å; Q171-S175 PolarHBondContact O-OG 3.09Å
172	R	92.6	Very high	89.6	Confident	107 Å²	107	68.5 Å²	68.5	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-73.5	-26.4	-178.4	-69.4	-56.9	-161.3	96.6	6.7	114.7	W168 I169 Q170 L421 D424	W168-R172 HydrophobicContact CD2-CG 4.25Å; W168-R172 HydrophobicContact CE3-CG 4.11Å; W168-R172 HydrophobicContact CH2-CG 4.1Å; W168-R172 HydrophobicContact CZ2-CG 4.27Å; W168-R172 HydrophobicContact CZ3-CG 4.03Å; W168-R172 WeakPolarHBondContact O-CG 3.43Å; W168-R172 PolarHBondContact O-N 3.09Å; I169-R172 PolarHBondContact O-N 2.93Å; I169-R172 VanDerWaalsContact O-N 3.15Å; Q170-R172 VanDerWaalsContact C-N 3.28Å; Q170-R172 PolarHBondContact O-N 3.15Å; R172-L421 HydrophobicContact CB-CD1 3.52Å; R172-L421 HydrophobicContact CG-CD1 4Å; R172-D424 IonicContact CZ-OD2 2.65Å; R172-D424 IonicContact NH1-OD2 3.28Å; R172-D424 PolarHBondContact NH1-OD2 2.81Å; R172-D424 IonicContact NH2-OD2 3.05Å; R172-D424 PolarHBondContact NH2-OD2 3.08Å
173	I	92.1	Very high	89.2	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.062	38%	0.38	C	S	.	.	H	α-helix	trans	-101.5	-31.2	-179	70.1	-168.1	0	0	0	113.6	T148 Y149 A155 Y157 I169 Q170 F417 L421	T148-I173 HydrophobicContact CG2-CB 4.14Å; T148-I173 HydrophobicContact CG2-CG1 4.03Å; T148-I173 WeakPolarHBondContact CG2-O 3.26Å; Y149-I173 HydrophobicContact CD1-CD1 4.47Å; Y149-I173 HydrophobicContact CE1-CD1 3.47Å; Y149-I173 VanDerWaalsContact CE1-CD1 3.47Å; Y149-I173 HydrophobicContact CE1-CG1 4.34Å; Y149-I173 WeakPolarHBondContact OH-CD1 3.34Å; A155-I173 HydrophobicContact CB-CD1 4.14Å; Y157-I173 HydrophobicContact CE1-CD1 4.15Å; I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.27Å; I169-I173 PolarHBondContact O-N 3.08Å; Q170-I173 PolarHBondContact O-N 3.43Å; I173-F417 HydrophobicContact CG2-CE1 4.31Å; I173-F417 HydrophobicContact CG2-CZ 4.44Å; I173-L421 HydrophobicContact CG2-CD2 3.68Å
174	E	90.8	Very high	89.1	Confident	67 Å²	67	70.2 Å²	70.2	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-86.9	-18.6	-178.5	-60.6	-179.6	149	0	0	113.4	R100 Y149 Q170 G176	R100-E174 IonicContact CZ-OE1 3.69Å; R100-E174 IonicContact CZ-OE2 2.75Å; R100-E174 IonicContact NE-OE1 2.77Å; R100-E174 PolarHBondContact NE-OE1 3.12Å; R100-E174 IonicContact NE-OE2 3.78Å; R100-E174 IonicContact NH2-OE1 2.65Å; R100-E174 PolarHBondContact NH2-OE1 2.97Å; R100-E174 IonicContact NH2-OE2 2.7Å; R100-E174 PolarHBondContact NH2-OE2 3.45Å; Y149-E174 HydrophobicContact CE2-CG 4.27Å; Y149-E174 WeakPolarHBondContact OH-CG 3.39Å; Y149-E174 PolarHBondContact OH-OE1 3.13Å; Q170-E174 VanDerWaalsContact O-CB 3.26Å; Q170-E174 WeakPolarHBondContact O-CB 3.43Å; Q170-E174 WeakPolarHBondContact O-CG 3.48Å; Q170-E174 PolarHBondContact O-N 2.99Å; E174-G176 PolarHBondContact O-N 2.98Å; E174-G176 VanDerWaalsContact O-N 3.08Å
175	S	80.6	Confident	88.9	Confident	80 Å²	80	64.4 Å²	64.4	56%	0.559	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	9.1	175.5	-53.9	0	0	0	0	114.2	Q171	Q171-S175 PolarHBondContact NE2-OG 3.39Å; Q171-S175 VanDerWaalsContact O-CB 3.24Å; Q171-S175 WeakPolarHBondContact O-CB 3.38Å; Q171-S175 PolarHBondContact O-N 3.39Å; Q171-S175 PolarHBondContact O-OG 3.09Å
176	G	66.4	Low	88.4	Confident	45 Å²	45	66.9 Å²	66.9	46%	0.464	34%	0.343	S	S	.	.			trans	94	149.2	-171	0	0	0	0	0	112.8	E174	E174-G176 PolarHBondContact O-N 2.98Å; E174-G176 VanDerWaalsContact O-N 3.08Å
177	R	68.1	Low	88	Confident	82 Å²	82	67.5 Å²	67.5	31%	0.309	34%	0.344	S	S	.	.			trans	-67.3	140.5	174.3	-67.7	-176.3	-176.1	179.2	1.4	110.1	Q147 T179	Q147-R177 PolarHBondContact O-NH2 3.43Å; R177-T179 PolarHBondContact O-N 3.1Å
178	A	68.2	Low	87.9	Confident	54 Å²	54	59.2 Å²	59.2	45%	0.446	31%	0.313	S	S	.	.			trans	-64.6	120.6	173.3	0	0	0	0	0	109.8	F180 F417	A178-F180 PolarHBondContact O-N 3.4Å; A178-F417 HydrophobicContact CB-CD2 3.87Å; A178-F417 HydrophobicContact CB-CE2 4.1Å
179	T	81.6	Confident	87.4	Confident	136 Å²	136	57.8 Å²	57.8	83%	0.834	31%	0.309	S	S	*	.			trans	-78.9	114.7	176.4	50.4	0	0	0	0	110	R177	R177-T179 PolarHBondContact O-N 3.1Å
180	F	91.4	Very high	86.7	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.057	32%	0.319	C	S	.	.			trans	-70.4	142.1	173.6	-63.5	-83.2	0	0	0	111.2	A178 E184 K185 F188 E413 A416 F417	A178-F180 PolarHBondContact O-N 3.4Å; F180-E184 VanDerWaalsContact CA-OE2 3.32Å; F180-E184 WeakPolarHBondContact CA-OE2 3.45Å; F180-E184 HydrophobicContact CB-CB 4.14Å; F180-E184 HydrophobicContact CD1-CB 4.23Å; F180-K185 HydrophobicContact CB-CG 4.14Å; F180-K185 VanDerWaalsContact O-CE 3.27Å; F180-K185 WeakPolarHBondContact O-CE 3.47Å; F180-F188 HydrophobicContact CB-CE2 4.37Å; F180-F188 AromaticContact CD1-CE2 3.67Å; F180-F188 HydrophobicContact CD1-CE2 3.67Å; F180-F188 AromaticContact CD1-CZ 3.83Å; F180-F188 HydrophobicContact CD1-CZ 3.83Å; F180-F188 HydrophobicContact CD2-CE2 4.39Å; F180-F188 HydrophobicContact CE1-CE2 4.03Å; F180-F188 AromaticContact CE1-CZ 3.9Å; F180-F188 HydrophobicContact CE1-CZ 3.9Å; F180-F188 AromaticContact CG-CE2 3.87Å; F180-F188 HydrophobicContact CG-CE2 3.87Å; F180-F188 HydrophobicContact CG-CZ 4.49Å; F180-E413 HydrophobicContact CD2-CB 3.9Å; F180-E413 HydrophobicContact CD2-CG 3.89Å; F180-E413 HydrophobicContact CE2-CB 4.09Å; F180-E413 VanDerWaalsContact CE2-O 3.26Å; F180-E413 WeakPolarHBondContact CE2-O 3.2Å; F180-A416 HydrophobicContact CE1-CB 3.84Å; F180-A416 HydrophobicContact CE2-CB 4.14Å; F180-A416 HydrophobicContact CZ-CB 3.52Å; F180-F417 HydrophobicContact CE2-CB 4.17Å; F180-F417 HydrophobicContact CZ-CB 4.18Å
181	N	92.7	Very high	86.5	Confident	82 Å²	82	58.2 Å²	58.2	44%	0.439	31%	0.314	S	S	.	.			trans	-77	168.4	176.3	76.9	51.5	0	0	0	111.6	E183 E184 K185	N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact O-N 2.85Å; N181-E183 WeakPolarHBondContact OD1-CA 3.38Å; N181-E183 VanDerWaalsContact OD1-CB 3.27Å; N181-E183 WeakPolarHBondContact OD1-CB 3.26Å; N181-E183 PolarHBondContact OD1-N 3.01Å; N181-E184 PolarHBondContact N-OE2 3.08Å; N181-E184 PolarHBondContact ND2-OE2 3.24Å; N181-E184 PolarHBondContact O-N 3.42Å; N181-E184 PolarHBondContact OD1-N 2.89Å; N181-K185 WeakPolarHBondContact O-CB 3.34Å; N181-K185 WeakPolarHBondContact O-CG 3.45Å; N181-K185 PolarHBondContact O-N 2.89Å
182	S	90.9	Very high	86.2	Confident	69 Å²	69	52.1 Å²	52.1	48%	0.483	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-30.1	-176.3	-55.2	0	0	0	0	114.3	K186 V481	S182-K186 WeakPolarHBondContact O-CB 3.5Å; S182-K186 WeakPolarHBondContact O-CG 3.5Å; S182-K186 PolarHBondContact O-N 3Å; S182-V481 WeakPolarHBondContact O-CG1 3.35Å
183	E	90.5	Very high	85.6	Confident	136 Å²	136	49.9 Å²	49.9	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-75.6	-44.8	178.3	-167.6	-167.1	131	0	0	111.2	N181 K185 K186 R187	N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact O-N 2.85Å; N181-E183 WeakPolarHBondContact OD1-CA 3.38Å; N181-E183 VanDerWaalsContact OD1-CB 3.27Å; N181-E183 WeakPolarHBondContact OD1-CB 3.26Å; N181-E183 PolarHBondContact OD1-N 3.01Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.7Å; E183-K186 PolarHBondContact O-N 3.25Å; E183-R187 WeakPolarHBondContact O-CB 3.47Å; E183-R187 PolarHBondContact O-N 2.93Å
184	E	93.6	Very high	84.9	Confident	24 Å²	24	51 Å²	51	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-44.7	172.3	-66.1	172.5	126.8	0	0	110.8	F180 N181 R187 F188 R420	F180-E184 VanDerWaalsContact CA-OE2 3.32Å; F180-E184 WeakPolarHBondContact CA-OE2 3.45Å; F180-E184 HydrophobicContact CB-CB 4.14Å; F180-E184 HydrophobicContact CD1-CB 4.23Å; N181-E184 PolarHBondContact N-OE2 3.08Å; N181-E184 PolarHBondContact ND2-OE2 3.24Å; N181-E184 PolarHBondContact O-N 3.42Å; N181-E184 PolarHBondContact OD1-N 2.89Å; E184-R187 WeakPolarHBondContact O-CB 3.4Å; E184-R187 PolarHBondContact O-N 2.66Å; E184-F188 HydrophobicContact CB-CE2 4.26Å; E184-F188 HydrophobicContact CB-CZ 4.32Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.07Å; E184-F188 VanDerWaalsContact O-CG 3.23Å; E184-F188 WeakPolarHBondContact O-CG 3.34Å; E184-F188 PolarHBondContact O-N 3.49Å; E184-R420 IonicContact OE1-CZ 3.94Å; E184-R420 VanDerWaalsContact OE1-CZ 3.28Å; E184-R420 IonicContact OE1-NH1 3.25Å; E184-R420 PolarHBondContact OE1-NH1 3.27Å; E184-R420 IonicContact OE1-NH2 3.65Å; E184-R420 PolarHBondContact OE1-NH2 3.25Å
185	K	93	Very high	84.6	Confident	16 Å²	16	47.9 Å²	47.9	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-47.5	175.9	-77.4	170	174	-88.7	0	112.2	F180 N181 E183 R187 F188 L189 E413 Y472 L476 E479 V481	F180-K185 HydrophobicContact CB-CG 4.14Å; F180-K185 VanDerWaalsContact O-CE 3.27Å; F180-K185 WeakPolarHBondContact O-CE 3.47Å; N181-K185 WeakPolarHBondContact O-CB 3.34Å; N181-K185 WeakPolarHBondContact O-CG 3.45Å; N181-K185 PolarHBondContact O-N 2.89Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.7Å; K185-R187 VanDerWaalsContact C-N 3.33Å; K185-R187 PolarHBondContact O-N 2.83Å; K185-F188 PolarHBondContact O-N 3.45Å; K185-L189 PolarHBondContact O-N 3.42Å; K185-L189 VanDerWaalsContact O-N 3.15Å; K185-E413 WeakPolarHBondContact CE-OE2 3.4Å; K185-E413 IonicContact NZ-OE1 3.74Å; K185-E413 PolarHBondContact NZ-OE1 3.2Å; K185-E413 IonicContact NZ-OE2 3.28Å; K185-E413 PolarHBondContact NZ-OE2 3.05Å; K185-Y472 WeakPolarHBondContact CA-OH 3.39Å; K185-Y472 WeakPolarHBondContact O-CE1 3.18Å; K185-Y472 PolarHBondContact O-OH 3.37Å; K185-L476 HydrophobicContact CB-CD1 3.97Å; K185-L476 HydrophobicContact CB-CD2 3.9Å; K185-L476 HydrophobicContact CD-CD2 3.97Å; K185-L476 HydrophobicContact CG-CD2 4.08Å; K185-L476 WeakPolarHBondContact O-CD1 3.43Å; K185-E479 IonicContact NZ-OE1 3.21Å; K185-E479 IonicContact NZ-OE2 2.69Å; K185-E479 PolarHBondContact NZ-OE2 2.86Å; K185-V481 HydrophobicContact CB-CG1 3.73Å; K185-V481 HydrophobicContact CD-CG1 4.28Å; K185-V481 HydrophobicContact CD-CG2 4.24Å
186	K	86.9	Confident	84.8	Confident	66 Å²	66	44.4 Å²	44.4	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-56.5	-45.6	172.4	-82.3	-179.3	172.4	-135.6	0	111.8	S182 E183 L189 S190 V481 A482 E485	S182-K186 WeakPolarHBondContact O-CB 3.5Å; S182-K186 WeakPolarHBondContact O-CG 3.5Å; S182-K186 PolarHBondContact O-N 3Å; E183-K186 PolarHBondContact O-N 3.25Å; K186-L189 PolarHBondContact O-N 2.79Å; K186-L189 VanDerWaalsContact O-N 3.17Å; K186-S190 PolarHBondContact O-N 3.04Å; K186-V481 WeakPolarHBondContact CE-O 3.42Å; K186-V481 HydrophobicContact CG-CG1 4.34Å; K186-A482 HydrophobicContact CG-CB 4Å; K186-E485 WeakPolarHBondContact CD-OE2 3.31Å; K186-E485 WeakPolarHBondContact CE-OE2 3.45Å; K186-E485 IonicContact NZ-OE1 2.69Å; K186-E485 IonicContact NZ-OE2 3.57Å; K186-E485 PolarHBondContact NZ-OE2 2.9Å
187	R	90.3	Very high	85.3	Confident	51 Å²	51	44.1 Å²	44.1	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-46.5	179.3	-173.9	171.4	70.4	-150.8	10.1	111.6	E183 E184 K185 L189 S190 E191 E226	E183-R187 WeakPolarHBondContact O-CB 3.47Å; E183-R187 PolarHBondContact O-N 2.93Å; E184-R187 WeakPolarHBondContact O-CB 3.4Å; E184-R187 PolarHBondContact O-N 2.66Å; K185-R187 VanDerWaalsContact C-N 3.33Å; K185-R187 PolarHBondContact O-N 2.83Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.3Å; R187-S190 PolarHBondContact O-N 3.12Å; R187-E191 WeakPolarHBondContact O-CB 3.32Å; R187-E191 VanDerWaalsContact O-CG 3.27Å; R187-E191 WeakPolarHBondContact O-CG 3.5Å; R187-E191 PolarHBondContact O-N 3.23Å; R187-E226 IonicContact CZ-OE2 3.43Å; R187-E226 IonicContact NE-OE2 2.65Å; R187-E226 IonicContact NH2-OE1 2.89Å; R187-E226 IonicContact NH2-OE2 3.95Å; R187-E226 PolarHBondContact NH2-OE2 3.18Å
188	F	93.2	Very high	86	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-39.2	175	-56.7	-34.2	0	0	0	112.4	F180 E184 K185 E191 L192 P222 E226 A416 Y472	F180-F188 HydrophobicContact CB-CE2 4.37Å; F180-F188 AromaticContact CD1-CE2 3.67Å; F180-F188 HydrophobicContact CD1-CE2 3.67Å; F180-F188 AromaticContact CD1-CZ 3.83Å; F180-F188 HydrophobicContact CD1-CZ 3.83Å; F180-F188 HydrophobicContact CD2-CE2 4.39Å; F180-F188 HydrophobicContact CE1-CE2 4.03Å; F180-F188 AromaticContact CE1-CZ 3.9Å; F180-F188 HydrophobicContact CE1-CZ 3.9Å; F180-F188 AromaticContact CG-CE2 3.87Å; F180-F188 HydrophobicContact CG-CE2 3.87Å; F180-F188 HydrophobicContact CG-CZ 4.49Å; E184-F188 HydrophobicContact CB-CE2 4.26Å; E184-F188 HydrophobicContact CB-CZ 4.32Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.07Å; E184-F188 VanDerWaalsContact O-CG 3.23Å; E184-F188 WeakPolarHBondContact O-CG 3.34Å; E184-F188 PolarHBondContact O-N 3.49Å; K185-F188 PolarHBondContact O-N 3.45Å; F188-E191 PolarHBondContact O-N 3.03Å; F188-L192 WeakPolarHBondContact O-CB 3.41Å; F188-L192 WeakPolarHBondContact O-CD1 3.15Å; F188-L192 VanDerWaalsContact O-CG 3.26Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.23Å; F188-P222 HydrophobicContact CB-CB 4.39Å; F188-P222 HydrophobicContact CD1-CB 3.98Å; F188-E226 HydrophobicContact CE1-CB 4.19Å; F188-E226 HydrophobicContact CE1-CG 4.02Å; F188-E226 WeakPolarHBondContact CE1-OE2 3.37Å; F188-E226 HydrophobicContact CZ-CG 4.28Å; F188-A416 HydrophobicContact CE1-CB 4Å; F188-A416 HydrophobicContact CE2-CB 3.74Å; F188-A416 HydrophobicContact CZ-CB 3.43Å; F188-A416 VanDerWaalsContact CZ-CB 3.43Å; F188-Y472 HydrophobicContact CB-CE1 3.86Å
189	L	88.3	Confident	86.8	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-40	176.1	178.6	60.1	0	0	0	112.2	K185 K186 R187 T193 R469 Y472 A473 L476 A482	K185-L189 PolarHBondContact O-N 3.42Å; K185-L189 VanDerWaalsContact O-N 3.15Å; K186-L189 PolarHBondContact O-N 2.79Å; K186-L189 VanDerWaalsContact O-N 3.17Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.3Å; L189-T193 VanDerWaalsContact O-CB 3.3Å; L189-T193 WeakPolarHBondContact O-CB 3.01Å; L189-T193 PolarHBondContact O-N 2.97Å; L189-T193 PolarHBondContact O-OG1 2.9Å; L189-R469 HydrophobicContact CD1-CG 4.11Å; L189-Y472 HydrophobicContact CB-CD1 3.91Å; L189-Y472 HydrophobicContact CB-CE1 3.94Å; L189-Y472 HydrophobicContact CD1-CD1 4.16Å; L189-A473 HydrophobicContact CD1-CB 3.9Å; L189-A473 HydrophobicContact CD2-CB 4.32Å; L189-L476 HydrophobicContact CB-CD1 4.03Å; L189-L476 HydrophobicContact CD2-CD1 4.2Å; L189-A482 HydrophobicContact CD2-CB 3.75Å
190	S	82.1	Confident	86.9	Confident	31 Å²	31	37.7 Å²	37.7	22%	0.217	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-45.7	173.1	179.8	0	0	0	0	111.2	K186 R187 L192 T193 A194 E485	K186-S190 PolarHBondContact O-N 3.04Å; R187-S190 PolarHBondContact O-N 3.12Å; S190-L192 PolarHBondContact O-N 2.9Å; S190-T193 CarbonylContact O-C 3.56Å; S190-T193 WeakPolarHBondContact O-CA 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.48Å; S190-T193 PolarHBondContact O-N 2.86Å; S190-A194 PolarHBondContact O-N 3.25Å; S190-E485 WeakPolarHBondContact CB-O 3.34Å; S190-E485 PolarHBondContact OG-O 3.05Å
191	E	89.1	Confident	86.4	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-38.3	179.9	-70.9	176.9	148.9	0	0	112.6	R187 F188 A195 I221 P222 K225 R229	R187-E191 WeakPolarHBondContact O-CB 3.32Å; R187-E191 VanDerWaalsContact O-CG 3.27Å; R187-E191 WeakPolarHBondContact O-CG 3.5Å; R187-E191 PolarHBondContact O-N 3.23Å; F188-E191 PolarHBondContact O-N 3.03Å; E191-A195 WeakPolarHBondContact O-CB 3.23Å; E191-A195 PolarHBondContact O-N 3.5Å; E191-A195 VanDerWaalsContact O-N 3.08Å; E191-I221 HydrophobicContact CB-CG2 4.41Å; E191-P222 HydrophobicContact CB-CB 4.13Å; E191-K225 HydrophobicContact CG-CD 4.05Å; E191-K225 VanDerWaalsContact OE1-CB 3.23Å; E191-K225 WeakPolarHBondContact OE1-CB 3.35Å; E191-K225 WeakPolarHBondContact OE1-CD 3.45Å; E191-K225 WeakPolarHBondContact OE1-CE 3.39Å; E191-K225 IonicContact OE1-NZ 3.34Å; E191-R229 IonicContact OE1-CZ 2.77Å; E191-R229 IonicContact OE1-NH1 3.63Å; E191-R229 PolarHBondContact OE1-NH1 2.97Å; E191-R229 IonicContact OE1-NH2 2.86Å; E191-R229 PolarHBondContact OE1-NH2 3.25Å; E191-R229 IonicContact OE2-CZ 3.38Å; E191-R229 IonicContact OE2-NH1 2.64Å; E191-R229 IonicContact OE2-NH2 2.7Å; E191-R229 PolarHBondContact OE2-NH2 3.1Å
192	L	87	Confident	85.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-32.6	169.7	-69.8	164.2	0	0	0	113	F188 S190 A195 E196 D218 P222 P412 P468 R469 Y472	F188-L192 WeakPolarHBondContact O-CB 3.41Å; F188-L192 WeakPolarHBondContact O-CD1 3.15Å; F188-L192 VanDerWaalsContact O-CG 3.26Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.23Å; S190-L192 PolarHBondContact O-N 2.9Å; L192-A195 PolarHBondContact O-N 2.6Å; L192-E196 WeakPolarHBondContact O-CB 3.38Å; L192-E196 PolarHBondContact O-N 2.88Å; L192-D218 HydrophobicContact CD2-CB 3.88Å; L192-P222 HydrophobicContact CD2-CG 3.97Å; L192-P222 HydrophobicContact CG-CG 4.04Å; L192-P412 HydrophobicContact CD1-CB 4Å; L192-P412 HydrophobicContact CD1-CG 3.47Å; L192-P412 VanDerWaalsContact CD1-CG 3.47Å; L192-P468 HydrophobicContact CD2-CB 4.49Å; L192-R469 HydrophobicContact CB-CB 4.17Å; L192-R469 HydrophobicContact CB-CG 4.14Å; L192-Y472 HydrophobicContact CD1-CD1 3.85Å; L192-Y472 HydrophobicContact CD1-CG 4.25Å
193	T	80.6	Confident	85.5	Confident	60 Å²	60	36.2 Å²	36.2	37%	0.368	19%	0.188	S	C	.	.	H	α-helix	trans	-71.8	-39.2	178.4	-59.1	0	0	0	0	111.3	L189 S190 G197 R469	L189-T193 VanDerWaalsContact O-CB 3.3Å; L189-T193 WeakPolarHBondContact O-CB 3.01Å; L189-T193 PolarHBondContact O-N 2.97Å; L189-T193 PolarHBondContact O-OG1 2.9Å; S190-T193 CarbonylContact O-C 3.56Å; S190-T193 WeakPolarHBondContact O-CA 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.48Å; S190-T193 PolarHBondContact O-N 2.86Å; T193-G197 WeakPolarHBondContact O-CA 3.32Å; T193-G197 PolarHBondContact O-N 2.95Å; T193-R469 VanDerWaalsContact OG1-CD 3.29Å; T193-R469 WeakPolarHBondContact OG1-CD 3.39Å; T193-R469 WeakPolarHBondContact OG1-CG 3.5Å
194	A	77.8	Confident	85.2	Confident	37 Å²	37	33.8 Å²	33.8	31%	0.306	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-39.6	170.2	0	0	0	0	0	111.9	S190 L198 N254	S190-A194 PolarHBondContact O-N 3.25Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 PolarHBondContact O-N 2.98Å; A194-L198 VanDerWaalsContact O-N 3.1Å; A194-N254 VanDerWaalsContact C-ND2 3.27Å; A194-N254 PolarHBondContact O-ND2 2.83Å
195	A	84.3	Confident	84.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-56.3	177	0	0	0	0	0	112.4	E191 L192 E199 D218 I221 N250	E191-A195 WeakPolarHBondContact O-CB 3.23Å; E191-A195 PolarHBondContact O-N 3.5Å; E191-A195 VanDerWaalsContact O-N 3.08Å; L192-A195 PolarHBondContact O-N 2.6Å; A195-E199 WeakPolarHBondContact O-CG 3.34Å; A195-E199 PolarHBondContact O-N 3.47Å; A195-D218 HydrophobicContact CB-CB 4.33Å; A195-I221 HydrophobicContact CB-CB 4.12Å; A195-I221 HydrophobicContact CB-CG1 3.69Å; A195-N250 PolarHBondContact O-ND2 2.92Å; A195-N250 VanDerWaalsContact O-ND2 3.08Å
196	E	84	Confident	84.5	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-40.8	179.3	177.2	178.4	114.6	0	0	111.8	L192 R200 T467 R469	L192-E196 WeakPolarHBondContact O-CB 3.38Å; L192-E196 PolarHBondContact O-N 2.88Å; E196-R200 VanDerWaalsContact CD-NH1 3.27Å; E196-R200 VanDerWaalsContact CG-CZ 3.44Å; E196-R200 WeakPolarHBondContact O-CG 3.33Å; E196-R200 PolarHBondContact O-N 3.27Å; E196-R200 IonicContact OE1-CZ 2.74Å; E196-R200 IonicContact OE1-NH1 3.2Å; E196-R200 PolarHBondContact OE1-NH1 2.78Å; E196-R200 IonicContact OE1-NH2 3.89Å; E196-R200 PolarHBondContact OE1-NH2 2.83Å; E196-R200 IonicContact OE2-CZ 3.57Å; E196-R200 IonicContact OE2-NH2 3.83Å; E196-R200 PolarHBondContact OE2-NH2 3.13Å; E196-T467 WeakPolarHBondContact OE2-CB 3.39Å; E196-T467 PolarHBondContact OE2-OG1 2.51Å; E196-R469 HydrophobicContact CB-CB 4.49Å; E196-R469 VanDerWaalsContact CD-NE 3.33Å; E196-R469 WeakPolarHBondContact OE1-CD 3.4Å; E196-R469 IonicContact OE1-CZ 3.19Å; E196-R469 IonicContact OE1-NE 3.86Å; E196-R469 PolarHBondContact OE1-NE 2.99Å; E196-R469 IonicContact OE1-NH2 3.19Å; E196-R469 WeakPolarHBondContact OE2-CB 3.34Å; E196-R469 IonicContact OE2-NE 2.56Å
197	G	77.4	Confident	84.5	Confident	40 Å²	40	39.3 Å²	39.3	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-43.5	-177.9	0	0	0	0	0	112.8	T193 Y201	T193-G197 WeakPolarHBondContact O-CA 3.32Å; T193-G197 PolarHBondContact O-N 2.95Å; G197-Y201 VanDerWaalsContact O-CB 3.28Å; G197-Y201 WeakPolarHBondContact O-CB 3.48Å; G197-Y201 PolarHBondContact O-N 2.65Å
198	L	82.4	Confident	84.2	Confident	17 Å²	17	39 Å²	39	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177.9	177	62.4	0	0	0	112.2	A194 R200 Y201 L202 V253	A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 PolarHBondContact O-N 2.98Å; A194-L198 VanDerWaalsContact O-N 3.1Å; L198-R200 PolarHBondContact O-N 3.02Å; L198-Y201 PolarHBondContact O-N 2.73Å; L198-L202 HydrophobicContact CD1-CD1 4.16Å; L198-L202 HydrophobicContact CD1-CG 4.15Å; L198-L202 HydrophobicContact CG-CD1 4.19Å; L198-L202 WeakPolarHBondContact O-CB 3.01Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-V253 HydrophobicContact CD1-CG1 4.45Å; L198-V253 HydrophobicContact CD2-CB 3.63Å; L198-V253 HydrophobicContact CD2-CG1 3.92Å; L198-V253 HydrophobicContact CD2-CG2 4.03Å
199	E	86.8	Confident	83.9	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-45	180	-69.4	-69.4	172.7	0	0	112.1	A195 L202 G203 R211 S213 L214 E215 N250	A195-E199 WeakPolarHBondContact O-CG 3.34Å; A195-E199 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 2.99Å; E199-G203 PolarHBondContact O-N 3.44Å; E199-R211 PolarHBondContact O-NE 3.18Å; E199-R211 IonicContact OE2-NE 2.75Å; E199-R211 PolarHBondContact OE2-NE 3.27Å; E199-R211 VanDerWaalsContact OE2-NE 3.14Å; E199-S213 VanDerWaalsContact OE2-CA 3.26Å; E199-S213 WeakPolarHBondContact OE2-CA 3.27Å; E199-S213 WeakPolarHBondContact OE2-CB 3.46Å; E199-S213 PolarHBondContact OE2-OG 3.14Å; E199-L214 WeakPolarHBondContact OE1-CB 3.45Å; E199-L214 PolarHBondContact OE1-N 2.88Å; E199-E215 HydrophobicContact CB-CG 3.58Å; E199-E215 HydrophobicContact CG-CG 3.93Å; E199-N250 VanDerWaalsContact CG-ND2 3.3Å; E199-N250 WeakPolarHBondContact CG-ND2 3.42Å; E199-N250 PolarHBondContact OE1-ND2 3.29Å; E199-N250 VanDerWaalsContact OE1-ND2 3.09Å
200	R	82.3	Confident	84	Confident	116 Å²	116	45 Å²	45	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-38	176.3	-69.9	-174.3	-175.3	147.2	13	112.3	E196 L198 G203 A204	E196-R200 VanDerWaalsContact CD-NH1 3.27Å; E196-R200 VanDerWaalsContact CG-CZ 3.44Å; E196-R200 WeakPolarHBondContact O-CG 3.33Å; E196-R200 PolarHBondContact O-N 3.27Å; E196-R200 IonicContact OE1-CZ 2.74Å; E196-R200 IonicContact OE1-NH1 3.2Å; E196-R200 PolarHBondContact OE1-NH1 2.78Å; E196-R200 IonicContact OE1-NH2 3.89Å; E196-R200 PolarHBondContact OE1-NH2 2.83Å; E196-R200 IonicContact OE2-CZ 3.57Å; E196-R200 IonicContact OE2-NH2 3.83Å; E196-R200 PolarHBondContact OE2-NH2 3.13Å; L198-R200 PolarHBondContact O-N 3.02Å; R200-G203 PolarHBondContact O-N 3.22Å; R200-A204 WeakPolarHBondContact O-CB 3.5Å; R200-A204 PolarHBondContact O-N 3.25Å
201	Y	80.9	Confident	84.3	Confident	113 Å²	113	44.3 Å²	44.3	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175	-176	-85.4	0	0	0	111.4	G197 L198 A204 K205 F264	G197-Y201 VanDerWaalsContact O-CB 3.28Å; G197-Y201 WeakPolarHBondContact O-CB 3.48Å; G197-Y201 PolarHBondContact O-N 2.65Å; L198-Y201 PolarHBondContact O-N 2.73Å; Y201-A204 PolarHBondContact O-N 2.77Å; Y201-K205 HydrophobicContact CD1-CD 4.27Å; Y201-K205 HydrophobicContact CE1-CB 4.39Å; Y201-K205 HydrophobicContact CE1-CD 3.36Å; Y201-K205 WeakPolarHBondContact O-CB 3.45Å; Y201-K205 PolarHBondContact O-N 3.29Å; Y201-K205 PolarHBondContact OH-NZ 2.69Å; Y201-F264 AromaticContact CD1-CE1 3.81Å; Y201-F264 HydrophobicContact CD1-CE1 3.81Å; Y201-F264 AromaticContact CD1-CZ 3.71Å; Y201-F264 HydrophobicContact CD1-CZ 3.71Å; Y201-F264 HydrophobicContact CE1-CD1 4.28Å; Y201-F264 HydrophobicContact CE1-CD2 4.46Å; Y201-F264 AromaticContact CE1-CE1 3.52Å; Y201-F264 HydrophobicContact CE1-CE1 3.52Å; Y201-F264 AromaticContact CE1-CE2 3.73Å; Y201-F264 HydrophobicContact CE1-CE2 3.73Å; Y201-F264 AromaticContact CE1-CZ 3.2Å; Y201-F264 HydrophobicContact CE1-CZ 3.2Å
202	L	83.3	Confident	84.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43.3	174.5	-71.4	175.6	0	0	0	111.6	L198 E199 K205 F206 L263 F264 F267	L198-L202 HydrophobicContact CD1-CD1 4.16Å; L198-L202 HydrophobicContact CD1-CG 4.15Å; L198-L202 HydrophobicContact CG-CD1 4.19Å; L198-L202 WeakPolarHBondContact O-CB 3.01Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 3.25Å; E199-L202 PolarHBondContact O-N 2.99Å; L202-K205 PolarHBondContact O-N 3.03Å; L202-F206 HydrophobicContact CD2-CD2 4.21Å; L202-F206 HydrophobicContact CD2-CE2 4.4Å; L202-F206 PolarHBondContact O-N 2.88Å; L202-L263 HydrophobicContact CD1-CD2 4.46Å; L202-L263 HydrophobicContact CD2-CD2 4.47Å; L202-F264 HydrophobicContact CD2-CD1 4.06Å; L202-F264 HydrophobicContact CD2-CE1 3.86Å; L202-F267 HydrophobicContact CD1-CE2 4.39Å; L202-F267 HydrophobicContact CD2-CD2 4.07Å; L202-F267 HydrophobicContact CD2-CE2 3.68Å; L202-F267 HydrophobicContact CD2-CZ 4.23Å
203	G	82.3	Confident	84.8	Confident	20 Å²	20	45 Å²	45	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-36.1	177.6	0	0	0	0	0	114.5	E199 R200 P207 R211	E199-G203 PolarHBondContact O-N 3.44Å; R200-G203 PolarHBondContact O-N 3.22Å; G203-P207 WeakPolarHBondContact O-CA 3.4Å; G203-R211 VanDerWaalsContact CA-NH1 3.28Å
204	A	83.5	Confident	85.6	Confident	85 Å²	85	42.4 Å²	42.4	70%	0.702	25%	0.249	S	C	*	.	H	α-helix	trans	-76.3	-37.1	176.7	0	0	0	0	0	112.8	R200 Y201	R200-A204 WeakPolarHBondContact O-CB 3.5Å; R200-A204 PolarHBondContact O-N 3.25Å; Y201-A204 PolarHBondContact O-N 2.77Å
205	K	83.5	Confident	86.2	Confident	84 Å²	84	41.3 Å²	41.3	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-81.8	-31.2	-177.8	-170.2	172.8	-178.7	174.4	0	113.2	Y201 L202 F264	Y201-K205 HydrophobicContact CD1-CD 4.27Å; Y201-K205 HydrophobicContact CE1-CB 4.39Å; Y201-K205 HydrophobicContact CE1-CD 3.36Å; Y201-K205 WeakPolarHBondContact O-CB 3.45Å; Y201-K205 PolarHBondContact O-N 3.29Å; Y201-K205 PolarHBondContact OH-NZ 2.69Å; L202-K205 PolarHBondContact O-N 3.03Å; K205-F264 VanDerWaalsContact NZ-CG 3.34Å
206	F	88.3	Confident	86.6	Confident	34 Å²	34	41.3 Å²	41.3	15%	0.149	24%	0.238	C	C	.	.	S	Bend	trans	-132.9	64.6	-177	-53.4	-67.7	0	0	0	111.1	L202 G208 A209 F264 F267	L202-F206 HydrophobicContact CD2-CD2 4.21Å; L202-F206 HydrophobicContact CD2-CE2 4.4Å; L202-F206 PolarHBondContact O-N 2.88Å; F206-G208 PolarHBondContact O-N 2.85Å; F206-A209 HydrophobicContact CB-CB 3.88Å; F206-A209 VanDerWaalsContact O-CB 3.31Å; F206-A209 WeakPolarHBondContact O-CB 3.3Å; F206-A209 PolarHBondContact O-N 3.08Å; F206-F264 HydrophobicContact CE2-CB 4.25Å; F206-F264 AromaticContact CE2-CD1 3.96Å; F206-F264 HydrophobicContact CE2-CD1 3.96Å; F206-F264 HydrophobicContact CE2-CG 4.41Å; F206-F264 HydrophobicContact CZ-CB 4.1Å; F206-F264 WeakPolarHBondContact CZ-O 3.22Å; F206-F267 HydrophobicContact CB-CD1 3.72Å; F206-F267 HydrophobicContact CB-CE1 4.21Å; F206-F267 HydrophobicContact CB-CG 4.38Å; F206-F267 HydrophobicContact CD1-CB 3.71Å; F206-F267 HydrophobicContact CD1-CD1 4.38Å; F206-F267 HydrophobicContact CD1-CG 4.36Å; F206-F267 HydrophobicContact CD2-CB 3.56Å; F206-F267 AromaticContact CD2-CD1 3.74Å; F206-F267 HydrophobicContact CD2-CD1 3.74Å; F206-F267 HydrophobicContact CD2-CD2 4.04Å; F206-F267 HydrophobicContact CD2-CE1 4.42Å; F206-F267 AromaticContact CD2-CG 3.53Å; F206-F267 HydrophobicContact CD2-CG 3.53Å; F206-F267 HydrophobicContact CE1-CB 3.57Å; F206-F267 HydrophobicContact CE2-CB 3.4Å; F206-F267 VanDerWaalsContact CE2-CB 3.4Å; F206-F267 HydrophobicContact CE2-CD1 4.43Å; F206-F267 HydrophobicContact CE2-CD2 4.1Å; F206-F267 AromaticContact CE2-CG 3.77Å; F206-F267 HydrophobicContact CE2-CG 3.77Å; F206-F267 HydrophobicContact CG-CB 3.7Å; F206-F267 AromaticContact CG-CD1 3.7Å; F206-F267 HydrophobicContact CG-CD1 3.7Å; F206-F267 AromaticContact CG-CG 3.84Å; F206-F267 HydrophobicContact CG-CG 3.84Å; F206-F267 HydrophobicContact CZ-CB 3.4Å; F206-F267 HydrophobicContact CZ-CG 4.28Å
207	P	86.9	Confident	87.2	Confident	104 Å²	104	41 Å²	41	68%	0.675	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137.4	-178	25.6	-35.2	0	0	0	111.8	G203 A209	G203-P207 WeakPolarHBondContact O-CA 3.4Å; P207-A209 PolarHBondContact O-N 2.86Å; P207-A209 VanDerWaalsContact O-N 3.15Å
208	G	83.8	Confident	88	Confident	45 Å²	45	39.2 Å²	39.2	46%	0.464	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-5.8	-177.3	0	0	0	0	0	115.7	F206	F206-G208 PolarHBondContact O-N 2.85Å
209	A	88.1	Confident	88.8	Confident	31 Å²	31	38.4 Å²	38.4	26%	0.256	21%	0.213	S	C	.	.			trans	-74.7	128.8	177.3	0	0	0	0	0	111.1	F206 P207 R211 F267	F206-A209 HydrophobicContact CB-CB 3.88Å; F206-A209 VanDerWaalsContact O-CB 3.31Å; F206-A209 WeakPolarHBondContact O-CB 3.3Å; F206-A209 PolarHBondContact O-N 3.08Å; P207-A209 PolarHBondContact O-N 2.86Å; P207-A209 VanDerWaalsContact O-N 3.15Å; A209-R211 PolarHBondContact O-N 3.13Å; A209-R211 VanDerWaalsContact O-N 3.09Å; A209-F267 HydrophobicContact CB-CD1 3.86Å; A209-F267 HydrophobicContact CB-CE1 3.77Å
210	K	89.4	Confident	89.3	Confident	111 Å²	111	38.2 Å²	38.2	48%	0.483	21%	0.213	S	C	.	.			trans	-59.3	112.8	178.2	-60.7	-172.3	179.3	-178.4	0	110.6	N446 E447	K210-N446 HydrophobicContact CD-CB 4.38Å; K210-N446 HydrophobicContact CG-CB 4.15Å; K210-E447 WeakPolarHBondContact CA-OE2 3.36Å
211	R	89.3	Confident	90	Very high	16 Å²	16	32.7 Å²	32.7	6%	0.06	19%	0.192	C	C	.	.			trans	-123	-15.6	178.9	69.4	173.9	-168.3	-87	0	113.8	E199 G203 A209 E215 L249 F267 H443 E447	E199-R211 PolarHBondContact O-NE 3.18Å; E199-R211 IonicContact OE2-NE 2.75Å; E199-R211 PolarHBondContact OE2-NE 3.27Å; E199-R211 VanDerWaalsContact OE2-NE 3.14Å; G203-R211 VanDerWaalsContact CA-NH1 3.28Å; A209-R211 PolarHBondContact O-N 3.13Å; A209-R211 VanDerWaalsContact O-N 3.09Å; R211-E215 IonicContact NH2-OE2 2.85Å; R211-E215 PolarHBondContact NH2-OE2 3.22Å; R211-L249 HydrophobicContact CB-CD1 3.94Å; R211-F267 HydrophobicContact CB-CE1 4.35Å; R211-F267 HydrophobicContact CB-CZ 3.86Å; R211-H443 PolarHBondContact NH2-NE2 2.86Å; R211-E447 VanDerWaalsContact CG-CD 3.46Å; R211-E447 HydrophobicContact CG-CG 3.81Å; R211-E447 PolarHBondContact N-OE2 2.95Å
212	F	93.1	Very high	90.7	Very high	18 Å²	18	27.4 Å²	27.4	8%	0.079	17%	0.171	C	C	.	.			trans	55.2	52.8	-178.7	-63.5	-74.4	0	0	0	113.2	H245 G247 Y282 H445 N446 E447	F212-H245 HydrophobicContact CB-CB 4.18Å; F212-H245 HydrophobicContact CD1-CB 4.34Å; F212-H245 AromaticContact CD1-CD2 3.38Å; F212-H245 WeakPolarHBondContact CD1-CD2 3.23Å; F212-H245 AromaticContact CD1-CG 3.96Å; F212-H245 HydrophobicContact CD2-CB 3.89Å; F212-H245 AromaticContact CE1-CD2 3.96Å; F212-H245 HydrophobicContact CE2-CB 4.33Å; F212-H245 HydrophobicContact CG-CB 3.88Å; F212-H245 AromaticContact CG-CD2 3.66Å; F212-H245 AromaticContact CG-CG 4Å; F212-G247 PolarHBondContact O-N 3.48Å; F212-Y282 AromaticContact CD2-CD1 3.94Å; F212-Y282 HydrophobicContact CD2-CD1 3.94Å; F212-Y282 HydrophobicContact CD2-CD2 4.06Å; F212-Y282 HydrophobicContact CD2-CE1 4.21Å; F212-Y282 HydrophobicContact CD2-CE2 4.3Å; F212-Y282 AromaticContact CD2-CG 3.88Å; F212-Y282 HydrophobicContact CD2-CG 3.88Å; F212-Y282 AromaticContact CE2-CD1 3.98Å; F212-Y282 HydrophobicContact CE2-CD1 3.98Å; F212-Y282 AromaticContact CE2-CD2 3.82Å; F212-Y282 HydrophobicContact CE2-CD2 3.82Å; F212-Y282 AromaticContact CE2-CE1 3.79Å; F212-Y282 HydrophobicContact CE2-CE1 3.79Å; F212-Y282 AromaticContact CE2-CE2 3.6Å; F212-Y282 HydrophobicContact CE2-CE2 3.6Å; F212-Y282 HydrophobicContact CE2-CG 4.01Å; F212-Y282 AromaticContact CE2-CZ 3.6Å; F212-H445 WeakPolarHBondContact CD1-O 3.47Å; F212-H445 AromaticContact CE1-CD2 3.95Å; F212-H445 AromaticContact CE1-NE2 3.56Å; F212-N446 HydrophobicContact CE1-CB 4.11Å; F212-E447 VanDerWaalsContact CA-OE1 3.27Å; F212-E447 WeakPolarHBondContact CA-OE1 2.94Å; F212-E447 PolarHBondContact N-OE1 3.39Å; F212-E447 PolarHBondContact N-OE2 2.98Å; F212-E447 VanDerWaalsContact N-OE2 3.12Å
213	S	93.2	Very high	91.4	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	17%	0.171	C	C	.	.			trans	-48.9	141.3	-169.4	-168.8	0	0	0	0	114	E199 E215 R246 E447	E199-S213 VanDerWaalsContact OE2-CA 3.26Å; E199-S213 WeakPolarHBondContact OE2-CA 3.27Å; E199-S213 WeakPolarHBondContact OE2-CB 3.46Å; E199-S213 PolarHBondContact OE2-OG 3.14Å; S213-E215 PolarHBondContact OG-N 2.89Å; S213-E215 PolarHBondContact OG-OE2 3.09Å; S213-R246 VanDerWaalsContact O-CD 3.24Å; S213-R246 WeakPolarHBondContact O-CD 3.32Å; S213-R246 PolarHBondContact O-NH1 3.33Å; S213-E447 WeakPolarHBondContact CB-OE1 3.49Å; S213-E447 PolarHBondContact N-OE1 2.86Å
214	L	96.1	Very high	92.2	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	16%	0.161	C	C	.	.			trans	-80.1	-13.4	173	-170	54.2	0	0	0	113.6	E199 G216 G217 L220 I221 N250	E199-L214 WeakPolarHBondContact OE1-CB 3.45Å; E199-L214 PolarHBondContact OE1-N 2.88Å; L214-G216 PolarHBondContact O-N 2.91Å; L214-G217 WeakPolarHBondContact CD1-O 3.43Å; L214-G217 CarbonylContact O-C 3.59Å; L214-G217 WeakPolarHBondContact O-CA 3.23Å; L214-G217 PolarHBondContact O-N 2.96Å; L214-L220 HydrophobicContact CD1-CB 4.21Å; L214-L220 HydrophobicContact CD1-CD2 3.95Å; L214-L220 HydrophobicContact CD2-CB 4.29Å; L214-L220 HydrophobicContact CD2-CD2 4.43Å; L214-I221 HydrophobicContact CD2-CD1 3.8Å; L214-I221 HydrophobicContact CD2-CG1 3.72Å; L214-N250 HydrophobicContact CB-CB 4.31Å; L214-N250 HydrophobicContact CD2-CB 3.92Å
215	E	91.8	Very high	92.8	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.065	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	121.9	-172.6	-72.6	179.3	75.4	0	0	112.2	E199 R211 S213 R442 H443	E199-E215 HydrophobicContact CB-CG 3.58Å; E199-E215 HydrophobicContact CG-CG 3.93Å; R211-E215 IonicContact NH2-OE2 2.85Å; R211-E215 PolarHBondContact NH2-OE2 3.22Å; S213-E215 PolarHBondContact OG-N 2.89Å; S213-E215 PolarHBondContact OG-OE2 3.09Å; E215-R442 HydrophobicContact CB-CB 3.52Å; E215-R442 HydrophobicContact CB-CG 3.91Å; E215-R442 WeakPolarHBondContact O-CB 3.4Å; E215-R442 PolarHBondContact O-N 2.82Å; E215-H443 VanDerWaalsContact CD-NE2 3.28Å; E215-H443 IonicContact OE1-NE2 2.71Å; E215-H443 IonicContact OE2-CD2 3.47Å; E215-H443 IonicContact OE2-CE1 3.55Å; E215-H443 IonicContact OE2-NE2 3.84Å; E215-H443 PolarHBondContact OE2-NE2 3.39Å
216	G	93	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	-14.8	-172.4	0	0	0	0	0	114.9	L214 D218 C439 Y440	L214-G216 PolarHBondContact O-N 2.91Å; G216-D218 WeakPolarHBondContact CA-OD2 3.41Å; G216-D218 PolarHBondContact N-OD2 2.67Å; G216-C439 WeakPolarHBondContact O-CB 3.42Å; G216-Y440 CarbonylContact C-O 3.55Å; G216-Y440 VanDerWaalsContact CA-CZ 3.43Å; G216-Y440 VanDerWaalsContact CA-O 3.28Å; G216-Y440 WeakPolarHBondContact CA-O 3.45Å; G216-Y440 PolarHBondContact O-N 3.46Å
217	G	96.5	Very high	93.9	Very high	2 Å²	2	18 Å²	18	2%	0.021	11%	0.109	C	C	.	.			trans	-118	21.6	169.5	0	0	0	0	0	113.1	L214 A219 L220	L214-G217 WeakPolarHBondContact CD1-O 3.43Å; L214-G217 CarbonylContact O-C 3.59Å; L214-G217 WeakPolarHBondContact O-CA 3.23Å; L214-G217 PolarHBondContact O-N 2.96Å; G217-A219 PolarHBondContact O-N 2.91Å; G217-L220 WeakPolarHBondContact O-CB 3.47Å; G217-L220 PolarHBondContact O-N 3.43Å
218	D	94.5	Very high	94.4	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.5	-171.2	-52.7	-102.5	0	0	0	113.8	L192 A195 G216 L220 I221 P222 P468	L192-D218 HydrophobicContact CD2-CB 3.88Å; A195-D218 HydrophobicContact CB-CB 4.33Å; G216-D218 WeakPolarHBondContact CA-OD2 3.41Å; G216-D218 PolarHBondContact N-OD2 2.67Å; D218-L220 PolarHBondContact O-N 2.95Å; D218-I221 PolarHBondContact O-N 2.85Å; D218-I221 VanDerWaalsContact O-N 3.08Å; D218-P222 WeakPolarHBondContact O-CD 3.49Å; D218-P468 HydrophobicContact CB-CG 4.26Å; D218-P468 WeakPolarHBondContact OD2-CD 3.49Å
219	A	97.4	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.8	177	0	0	0	0	0	114.9	G217 I221 P222 M223 A409 V415 L437	G217-A219 PolarHBondContact O-N 2.91Å; A219-I221 PolarHBondContact O-N 3.4Å; A219-P222 WeakPolarHBondContact O-CD 3.48Å; A219-P222 WeakPolarHBondContact O-CG 3.17Å; A219-M223 WeakPolarHBondContact O-CB 3.41Å; A219-M223 PolarHBondContact O-N 3.34Å; A219-A409 HydrophobicContact CB-CB 4.27Å; A219-A409 WeakPolarHBondContact CB-O 3.5Å; A219-V415 HydrophobicContact CB-CG1 4.44Å; A219-V415 HydrophobicContact CB-CG2 4.21Å; A219-L437 HydrophobicContact CB-CD1 4.37Å
220	L	97.9	Very high	95.5	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.1	-32.4	170.1	-176.8	67.7	0	0	0	112.6	L214 G217 D218 M223 L224 V251 I339 I371 I373 L437	L214-L220 HydrophobicContact CD1-CB 4.21Å; L214-L220 HydrophobicContact CD1-CD2 3.95Å; L214-L220 HydrophobicContact CD2-CB 4.29Å; L214-L220 HydrophobicContact CD2-CD2 4.43Å; G217-L220 WeakPolarHBondContact O-CB 3.47Å; G217-L220 PolarHBondContact O-N 3.43Å; D218-L220 PolarHBondContact O-N 2.95Å; L220-M223 HydrophobicContact CD1-SD 4.18Å; L220-L224 HydrophobicContact CD1-CD1 4.14Å; L220-L224 HydrophobicContact CD1-CG 4.16Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 HydrophobicContact CG-CG 4.34Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.45Å; L220-V251 HydrophobicContact CD2-CG2 4.33Å; L220-I339 HydrophobicContact CD1-CD1 4.44Å; L220-I339 HydrophobicContact CD1-CG2 4.31Å; L220-I339 HydrophobicContact CD2-CG2 4.45Å; L220-I371 HydrophobicContact CD1-CD1 4.4Å; L220-I371 HydrophobicContact CD1-CG2 3.89Å; L220-I373 HydrophobicContact CD2-CD1 3.65Å; L220-I373 HydrophobicContact CD2-CG1 4.19Å; L220-L437 HydrophobicContact CB-CD2 4.12Å; L220-L437 HydrophobicContact CD1-CD2 4.5Å
221	I	97.1	Very high	95.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-70.6	-54.3	-178.3	-56.8	-56.1	0	0	0	112.3	E191 A195 L214 D218 A219 M223 L224 K225 N250 V251 N254 V255	E191-I221 HydrophobicContact CB-CG2 4.41Å; A195-I221 HydrophobicContact CB-CB 4.12Å; A195-I221 HydrophobicContact CB-CG1 3.69Å; L214-I221 HydrophobicContact CD2-CD1 3.8Å; L214-I221 HydrophobicContact CD2-CG1 3.72Å; D218-I221 PolarHBondContact O-N 2.85Å; D218-I221 VanDerWaalsContact O-N 3.08Å; A219-I221 PolarHBondContact O-N 3.4Å; I221-M223 VanDerWaalsContact C-N 3.29Å; I221-M223 PolarHBondContact O-N 2.91Å; I221-L224 PolarHBondContact O-N 3.4Å; I221-K225 HydrophobicContact CG2-CD 4.03Å; I221-K225 WeakPolarHBondContact O-CG 3.39Å; I221-K225 PolarHBondContact O-N 3.37Å; I221-K225 VanDerWaalsContact O-N 3.09Å; I221-N250 HydrophobicContact CD1-CB 4.16Å; I221-N250 WeakPolarHBondContact CD1-OD1 3.2Å; I221-N250 WeakPolarHBondContact CG1-OD1 3.5Å; I221-V251 HydrophobicContact CD1-CG2 4.03Å; I221-N254 HydrophobicContact CG2-CB 4.03Å; I221-V255 HydrophobicContact CD1-CG2 4.01Å; I221-V255 HydrophobicContact CG2-CG2 4.28Å
222	P	96.6	Very high	96.1	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.013	3%	0.029	C	C	.	.	H	α-helix	trans	-62.8	-34.4	172.4	25.2	-34.5	0	0	0	112.3	F188 E191 L192 D218 A219 E226	F188-P222 HydrophobicContact CB-CB 4.39Å; F188-P222 HydrophobicContact CD1-CB 3.98Å; E191-P222 HydrophobicContact CB-CB 4.13Å; L192-P222 HydrophobicContact CD2-CG 3.97Å; L192-P222 HydrophobicContact CG-CG 4.04Å; D218-P222 WeakPolarHBondContact O-CD 3.49Å; A219-P222 WeakPolarHBondContact O-CD 3.48Å; A219-P222 WeakPolarHBondContact O-CG 3.17Å; P222-E226 WeakPolarHBondContact O-CB 3.22Å; P222-E226 PolarHBondContact O-N 2.89Å
223	M	97.8	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-54.1	-55.5	172.3	174.2	-176.1	-70.3	0	0	111.7	A219 L220 I221 E226 M227 I371 V415 T419 I435 L437	A219-M223 WeakPolarHBondContact O-CB 3.41Å; A219-M223 PolarHBondContact O-N 3.34Å; L220-M223 HydrophobicContact CD1-SD 4.18Å; I221-M223 VanDerWaalsContact C-N 3.29Å; I221-M223 PolarHBondContact O-N 2.91Å; M223-E226 PolarHBondContact O-N 3.46Å; M223-M227 HydrophobicContact CG-CE 4.49Å; M223-M227 WeakPolarHBondContact O-CB 3.38Å; M223-M227 PolarHBondContact O-N 3.04Å; M223-I371 HydrophobicContact CE-CG2 4.49Å; M223-I371 HydrophobicContact CG-CD1 4.29Å; M223-I371 HydrophobicContact SD-CB 4.35Å; M223-I371 HydrophobicContact SD-CD1 3.61Å; M223-I371 HydrophobicContact SD-CG1 3.78Å; M223-I371 HydrophobicContact SD-CG2 3.59Å; M223-I371 VanDerWaalsContact SD-CG2 3.59Å; M223-V415 HydrophobicContact CB-CG1 3.73Å; M223-V415 HydrophobicContact CE-CG1 3.64Å; M223-V415 HydrophobicContact CG-CG1 4.35Å; M223-T419 HydrophobicContact CG-CG2 4.46Å; M223-T419 WeakPolarHBondContact CG-OG1 3.25Å; M223-T419 WeakPolarHBondContact O-CG2 3.24Å; M223-I435 HydrophobicContact CE-CG2 3.68Å; M223-I435 HydrophobicContact SD-CG2 4.47Å; M223-L437 HydrophobicContact CE-CB 4.12Å; M223-L437 HydrophobicContact CE-CD1 3.89Å; M223-L437 HydrophobicContact CE-CD2 3.91Å; M223-L437 HydrophobicContact CE-CG 4.19Å; M223-L437 HydrophobicContact SD-CD2 4.48Å
224	L	97.9	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-42.5	-177	-71.4	172	0	0	0	112.2	L220 I221 M227 I228 L241 V251 V255 I337 I339 I371	L220-L224 HydrophobicContact CD1-CD1 4.14Å; L220-L224 HydrophobicContact CD1-CG 4.16Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 HydrophobicContact CG-CG 4.34Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.45Å; I221-L224 PolarHBondContact O-N 3.4Å; L224-M227 WeakPolarHBondContact O-CB 3.25Å; L224-M227 PolarHBondContact O-N 2.95Å; L224-I228 WeakPolarHBondContact O-CD1 3.37Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.44Å; L224-I228 PolarHBondContact O-N 3.06Å; L224-L241 HydrophobicContact CD1-CD2 4.39Å; L224-L241 HydrophobicContact CD2-CD2 4.09Å; L224-V251 HydrophobicContact CD1-CG1 4.11Å; L224-V251 HydrophobicContact CD1-CG2 3.72Å; L224-V255 HydrophobicContact CB-CG1 4.31Å; L224-V255 HydrophobicContact CB-CG2 4.28Å; L224-V255 HydrophobicContact CD1-CG2 4.37Å; L224-I337 HydrophobicContact CD2-CD1 4.38Å; L224-I337 HydrophobicContact CD2-CG2 4.05Å; L224-I339 HydrophobicContact CD1-CD1 3.84Å; L224-I339 HydrophobicContact CD2-CD1 3.92Å; L224-I339 HydrophobicContact CG-CD1 4.45Å; L224-I371 HydrophobicContact CD2-CD1 3.67Å
225	K	97	Very high	96.2	Very high	23 Å²	23	13.1 Å²	13.1	10%	0.1	8%	0.081	C	C	.	.	H	α-helix	trans	-70.4	-34.5	-178.8	-63.6	179.7	75.4	168.4	0	111.9	E191 I221 I228 R229 N254 V255	E191-K225 HydrophobicContact CG-CD 4.05Å; E191-K225 VanDerWaalsContact OE1-CB 3.23Å; E191-K225 WeakPolarHBondContact OE1-CB 3.35Å; E191-K225 WeakPolarHBondContact OE1-CD 3.45Å; E191-K225 WeakPolarHBondContact OE1-CE 3.39Å; E191-K225 IonicContact OE1-NZ 3.34Å; I221-K225 HydrophobicContact CG2-CD 4.03Å; I221-K225 WeakPolarHBondContact O-CG 3.39Å; I221-K225 PolarHBondContact O-N 3.37Å; I221-K225 VanDerWaalsContact O-N 3.09Å; K225-I228 PolarHBondContact O-N 3.42Å; K225-R229 WeakPolarHBondContact O-CG 3.26Å; K225-R229 PolarHBondContact O-N 3.34Å; K225-R229 PolarHBondContact O-NE 2.78Å; K225-N254 WeakPolarHBondContact CD-O 3.39Å; K225-N254 WeakPolarHBondContact CE-O 3.37Å; K225-N254 PolarHBondContact NZ-O 2.8Å; K225-V255 HydrophobicContact CD-CG2 4.27Å; K225-V255 HydrophobicContact CG-CB 4.34Å; K225-V255 HydrophobicContact CG-CG1 4.07Å; K225-V255 HydrophobicContact CG-CG2 3.96Å
226	E	97.4	Very high	96.4	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	8%	0.08	C	C	.	.	H	α-helix	trans	-70.5	-36.8	172.5	-166.4	54.7	-143.8	0	0	112.1	R187 F188 P222 M223 R229 H230 A416 R420	R187-E226 IonicContact CZ-OE2 3.43Å; R187-E226 IonicContact NE-OE2 2.65Å; R187-E226 IonicContact NH2-OE1 2.89Å; R187-E226 IonicContact NH2-OE2 3.95Å; R187-E226 PolarHBondContact NH2-OE2 3.18Å; F188-E226 HydrophobicContact CE1-CB 4.19Å; F188-E226 HydrophobicContact CE1-CG 4.02Å; F188-E226 WeakPolarHBondContact CE1-OE2 3.37Å; F188-E226 HydrophobicContact CZ-CG 4.28Å; P222-E226 WeakPolarHBondContact O-CB 3.22Å; P222-E226 PolarHBondContact O-N 2.89Å; M223-E226 PolarHBondContact O-N 3.46Å; E226-R229 PolarHBondContact O-N 2.92Å; E226-R229 IonicContact OE2-CZ 3.69Å; E226-R229 VanDerWaalsContact OE2-CZ 3.22Å; E226-R229 IonicContact OE2-NE 3.6Å; E226-R229 PolarHBondContact OE2-NE 3.43Å; E226-R229 IonicContact OE2-NH2 3.7Å; E226-R229 PolarHBondContact OE2-NH2 2.97Å; E226-H230 VanDerWaalsContact O-CB 3.32Å; E226-H230 WeakPolarHBondContact O-CB 3.37Å; E226-H230 PolarHBondContact O-N 2.99Å; E226-A416 HydrophobicContact CG-CB 4.35Å; E226-R420 IonicContact OE1-CZ 2.69Å; E226-R420 VanDerWaalsContact OE1-CZ 3.25Å; E226-R420 IonicContact OE1-NE 3.39Å; E226-R420 PolarHBondContact OE1-NE 3.23Å; E226-R420 IonicContact OE1-NH2 3.44Å; E226-R420 PolarHBondContact OE1-NH2 3.2Å
227	M	97.5	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-43	172.2	-160.4	176.9	-61.6	0	0	111.5	M223 L224 A231 L335 I337 V369 I371 T419 L423 I435	M223-M227 HydrophobicContact CG-CE 4.49Å; M223-M227 WeakPolarHBondContact O-CB 3.38Å; M223-M227 PolarHBondContact O-N 3.04Å; L224-M227 WeakPolarHBondContact O-CB 3.25Å; L224-M227 PolarHBondContact O-N 2.95Å; M227-A231 WeakPolarHBondContact O-CB 3.32Å; M227-A231 PolarHBondContact O-N 3.3Å; M227-L335 HydrophobicContact CG-CD2 4.31Å; M227-L335 HydrophobicContact SD-CD2 4.42Å; M227-I337 HydrophobicContact CG-CD1 4.3Å; M227-I337 HydrophobicContact SD-CD1 3.52Å; M227-I337 VanDerWaalsContact SD-CD1 3.52Å; M227-I337 HydrophobicContact SD-CG1 3.82Å; M227-V369 HydrophobicContact CE-CB 4.42Å; M227-V369 HydrophobicContact CE-CG1 3.51Å; M227-V369 HydrophobicContact SD-CB 4.01Å; M227-V369 HydrophobicContact SD-CG1 3.74Å; M227-V369 HydrophobicContact SD-CG2 4.39Å; M227-I371 HydrophobicContact CE-CD1 3.97Å; M227-I371 HydrophobicContact CE-CG1 4.41Å; M227-T419 HydrophobicContact CB-CG2 3.59Å; M227-T419 HydrophobicContact CE-CG2 3.88Å; M227-T419 HydrophobicContact CG-CG2 4.09Å; M227-L423 HydrophobicContact CG-CD2 3.92Å; M227-L423 WeakPolarHBondContact O-CD2 3.35Å; M227-I435 HydrophobicContact CE-CD1 4.05Å
228	I	97.4	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.2	-45.5	177.9	-70.5	159.6	0	0	0	111.3	L224 K225 A231 G232 V239 V255 F290 T292 L299	L224-I228 WeakPolarHBondContact O-CD1 3.37Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.44Å; L224-I228 PolarHBondContact O-N 3.06Å; K225-I228 PolarHBondContact O-N 3.42Å; I228-A231 PolarHBondContact O-N 3.32Å; I228-G232 PolarHBondContact O-N 2.86Å; I228-V239 HydrophobicContact CG1-CG1 4.48Å; I228-V255 HydrophobicContact CD1-CG1 3.56Å; I228-F290 HydrophobicContact CG2-CB 4.29Å; I228-F290 HydrophobicContact CG2-CD1 3.68Å; I228-F290 HydrophobicContact CG2-CE1 4.13Å; I228-F290 HydrophobicContact CG2-CG 3.97Å; I228-T292 HydrophobicContact CG2-CG2 4.36Å; I228-L299 HydrophobicContact CD1-CD1 3.86Å; I228-L299 HydrophobicContact CD1-CD2 3.9Å; I228-L299 HydrophobicContact CG1-CD2 3.99Å; I228-L299 HydrophobicContact CG2-CD2 3.94Å
229	R	96.9	Very high	96.6	Very high	17 Å²	17	19.3 Å²	19.3	6%	0.064	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-51.8	174.3	-75.9	-179	-70.3	-100.5	8.3	111.9	E191 K225 E226 A231 G232 N233 F290	E191-R229 IonicContact OE1-CZ 2.77Å; E191-R229 IonicContact OE1-NH1 3.63Å; E191-R229 PolarHBondContact OE1-NH1 2.97Å; E191-R229 IonicContact OE1-NH2 2.86Å; E191-R229 PolarHBondContact OE1-NH2 3.25Å; E191-R229 IonicContact OE2-CZ 3.38Å; E191-R229 IonicContact OE2-NH1 2.64Å; E191-R229 IonicContact OE2-NH2 2.7Å; E191-R229 PolarHBondContact OE2-NH2 3.1Å; K225-R229 WeakPolarHBondContact O-CG 3.26Å; K225-R229 PolarHBondContact O-N 3.34Å; K225-R229 PolarHBondContact O-NE 2.78Å; E226-R229 PolarHBondContact O-N 2.92Å; E226-R229 IonicContact OE2-CZ 3.69Å; E226-R229 VanDerWaalsContact OE2-CZ 3.22Å; E226-R229 IonicContact OE2-NE 3.6Å; E226-R229 PolarHBondContact OE2-NE 3.43Å; E226-R229 IonicContact OE2-NH2 3.7Å; E226-R229 PolarHBondContact OE2-NH2 2.97Å; R229-A231 VanDerWaalsContact C-N 3.29Å; R229-A231 PolarHBondContact O-N 2.84Å; R229-G232 PolarHBondContact O-N 3.09Å; R229-N233 WeakPolarHBondContact O-CB 3.46Å; R229-N233 PolarHBondContact O-N 2.86Å; R229-N233 PolarHBondContact O-OD1 2.95Å; R229-F290 HydrophobicContact CG-CE1 4.38Å
230	H	96.9	Very high	96.7	Very high	39 Å²	39	19.4 Å²	19.4	18%	0.181	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-32.9	-179.4	-164	78.8	0	0	0	112	E226 S234 R420 L423 D424	E226-H230 VanDerWaalsContact O-CB 3.32Å; E226-H230 WeakPolarHBondContact O-CB 3.37Å; E226-H230 PolarHBondContact O-N 2.99Å; H230-S234 WeakPolarHBondContact O-CB 3.17Å; H230-S234 PolarHBondContact O-N 3.34Å; H230-S234 PolarHBondContact O-OG 2.89Å; H230-R420 HydrophobicContact CB-CG 4.46Å; H230-L423 HydrophobicContact CB-CD2 4.16Å; H230-D424 IonicContact CD2-OD1 3.19Å; H230-D424 IonicContact CE1-OD1 3.38Å; H230-D424 IonicContact NE2-OD1 2.72Å; H230-D424 PolarHBondContact NE2-OD1 2.88Å
231	A	96.9	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-52.8	172.6	0	0	0	0	0	111.6	M227 I228 R229 N233 S234 G235 T236 L335 L423	M227-A231 WeakPolarHBondContact O-CB 3.32Å; M227-A231 PolarHBondContact O-N 3.3Å; I228-A231 PolarHBondContact O-N 3.32Å; R229-A231 VanDerWaalsContact C-N 3.29Å; R229-A231 PolarHBondContact O-N 2.84Å; A231-N233 VanDerWaalsContact C-N 3.34Å; A231-N233 PolarHBondContact O-N 2.86Å; A231-S234 CarbonylContact O-C 3.54Å; A231-S234 WeakPolarHBondContact O-CA 3.25Å; A231-S234 PolarHBondContact O-N 3.34Å; A231-S234 PolarHBondContact O-OG 2.84Å; A231-G235 PolarHBondContact O-N 3.26Å; A231-T236 HydrophobicContact CB-CG2 4.16Å; A231-T236 VanDerWaalsContact O-CB 3.29Å; A231-T236 WeakPolarHBondContact O-CB 3.4Å; A231-T236 PolarHBondContact O-N 2.96Å; A231-T236 PolarHBondContact O-OG1 2.88Å; A231-L335 HydrophobicContact CB-CD2 3.98Å; A231-L423 HydrophobicContact CB-CD2 3.78Å
232	G	95.9	Very high	96.7	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-44.8	176.8	0	0	0	0	0	112.5	I228 R229 S234 G235 T292	I228-G232 PolarHBondContact O-N 2.86Å; R229-G232 PolarHBondContact O-N 3.09Å; G232-S234 PolarHBondContact O-N 3.26Å; G232-G235 PolarHBondContact O-N 3.39Å; G232-T292 WeakPolarHBondContact CA-OG1 3.24Å
233	N	95.5	Very high	96.8	Very high	79 Å²	79	19.4 Å²	19.4	42%	0.422	11%	0.105	S	C	.	.	H	α-helix	trans	-65.4	-17.7	175.4	-64.3	5.5	0	0	0	113	R229 A231 D293 G294	R229-N233 WeakPolarHBondContact O-CB 3.46Å; R229-N233 PolarHBondContact O-N 2.86Å; R229-N233 PolarHBondContact O-OD1 2.95Å; A231-N233 VanDerWaalsContact C-N 3.34Å; A231-N233 PolarHBondContact O-N 2.86Å; N233-D293 PolarHBondContact ND2-OD2 3.31Å; N233-D293 WeakPolarHBondContact OD1-CB 3.47Å; N233-D293 PolarHBondContact OD1-N 3.48Å; N233-D293 PolarHBondContact OD1-OD2 3.37Å; N233-G294 PolarHBondContact OD1-N 2.96Å
234	S	94.3	Very high	96.7	Very high	48 Å²	48	20.2 Å²	20.2	34%	0.336	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5	171.3	79	0	0	0	0	114.7	H230 A231 G232 N427	H230-S234 WeakPolarHBondContact O-CB 3.17Å; H230-S234 PolarHBondContact O-N 3.34Å; H230-S234 PolarHBondContact O-OG 2.89Å; A231-S234 CarbonylContact O-C 3.54Å; A231-S234 WeakPolarHBondContact O-CA 3.25Å; A231-S234 PolarHBondContact O-N 3.34Å; A231-S234 PolarHBondContact O-OG 2.84Å; G232-S234 PolarHBondContact O-N 3.26Å; S234-N427 PolarHBondContact OG-ND2 3.34Å; S234-N427 VanDerWaalsContact OG-ND2 3.11Å
235	G	93.4	Very high	96.6	Very high	46 Å²	46	21.8 Å²	21.8	47%	0.474	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	15.6	178.6	0	0	0	0	0	115.6	A231 G232	A231-G235 PolarHBondContact O-N 3.26Å; G232-G235 PolarHBondContact O-N 3.39Å
236	T	96.2	Very high	96.5	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.025	12%	0.118	C	C	.	.			trans	-71.3	127.7	169.9	-57.4	0	0	0	0	110.4	A231 E238 V239 N332 L335	A231-T236 HydrophobicContact CB-CG2 4.16Å; A231-T236 VanDerWaalsContact O-CB 3.29Å; A231-T236 WeakPolarHBondContact O-CB 3.4Å; A231-T236 PolarHBondContact O-N 2.96Å; A231-T236 PolarHBondContact O-OG1 2.88Å; T236-E238 VanDerWaalsContact CG2-O 3.25Å; T236-E238 WeakPolarHBondContact CG2-O 3.48Å; T236-V239 HydrophobicContact CG2-CG2 4.09Å; T236-N332 VanDerWaalsContact CA-O 3.27Å; T236-N332 WeakPolarHBondContact CA-O 3.34Å; T236-N332 WeakPolarHBondContact CB-O 3.46Å; T236-N332 PolarHBondContact OG1-O 3.41Å; T236-L335 HydrophobicContact CG2-CB 3.89Å
237	R	94.8	Very high	96.4	Very high	134 Å²	134	21.7 Å²	21.7	51%	0.506	12%	0.118	S	C	.	.			trans	-95.6	-28.5	179	-68.3	-179.1	61.1	-165.6	-4	113.4	V297 H298 K333	R237-V297 WeakPolarHBondContact O-CA 3.29Å; R237-H298 PolarHBondContact O-N 3.3Å; R237-K333 PolarHBondContact N-O 3.22Å
238	E	96.7	Very high	96.3	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.4	-176.1	-52.6	-173.1	-134.1	0	0	111.3	T236 H298 R322 R325 K333 V334 L335	T236-E238 VanDerWaalsContact CG2-O 3.25Å; T236-E238 WeakPolarHBondContact CG2-O 3.48Å; E238-H298 CarbonylContact C-O 3.58Å; E238-H298 VanDerWaalsContact CA-O 3.26Å; E238-H298 WeakPolarHBondContact CA-O 3.48Å; E238-H298 HydrophobicContact CG-CB 4.21Å; E238-H298 IonicContact OE2-CD2 3.89Å; E238-R322 VanDerWaalsContact OE2-CD 3.3Å; E238-R322 WeakPolarHBondContact OE2-CD 3.39Å; E238-R322 IonicContact OE2-CZ 2.8Å; E238-R322 IonicContact OE2-NE 3.62Å; E238-R322 IonicContact OE2-NH1 3.78Å; E238-R322 PolarHBondContact OE2-NH1 3.35Å; E238-R325 IonicContact OE1-CZ 3.44Å; E238-R325 IonicContact OE1-NH2 2.72Å; E238-R325 PolarHBondContact OE1-NH2 3.05Å; E238-R325 IonicContact OE2-NH2 3.67Å; E238-R325 PolarHBondContact OE2-NH2 3.47Å; E238-K333 PolarHBondContact N-O 3.49Å; E238-V334 HydrophobicContact CB-CG1 4.07Å; E238-V334 HydrophobicContact CB-CG2 4.22Å; E238-V334 CarbonylContact O-C 3.55Å; E238-V334 VanDerWaalsContact O-CA 3.29Å; E238-V334 WeakPolarHBondContact O-CA 3.41Å; E238-L335 PolarHBondContact O-N 2.93Å
239	V	98	Very high	96.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.1	175	-179	0	0	0	0	108.7	I228 T236 L241 V297 H298 L299 A300 L335 I337	I228-V239 HydrophobicContact CG1-CG1 4.48Å; T236-V239 HydrophobicContact CG2-CG2 4.09Å; V239-L241 HydrophobicContact CG1-CD1 4.08Å; V239-V297 HydrophobicContact CB-CG1 4.47Å; V239-V297 HydrophobicContact CG2-CG1 3.59Å; V239-H298 PolarHBondContact N-O 2.93Å; V239-L299 HydrophobicContact CB-CD2 3.81Å; V239-L299 HydrophobicContact CG2-CD2 4.2Å; V239-L299 WeakPolarHBondContact O-CA 3.39Å; V239-A300 PolarHBondContact O-N 2.92Å; V239-L335 WeakPolarHBondContact CA-O 3.16Å; V239-L335 HydrophobicContact CG1-CD2 4.45Å; V239-L335 HydrophobicContact CG2-CB 4.24Å; V239-L335 HydrophobicContact CG2-CD2 4.39Å; V239-I337 HydrophobicContact CG1-CD1 3.46Å; V239-I337 VanDerWaalsContact CG1-CD1 3.46Å; V239-I337 HydrophobicContact CG1-CG1 3.99Å
240	V	98.2	Very high	96.1	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	178.7	-169.2	0	0	0	0	109.6	A300 V315 V319 L335 I337	V240-A300 CarbonylContact C-O 3.58Å; V240-A300 VanDerWaalsContact CA-O 3.32Å; V240-A300 WeakPolarHBondContact CA-O 3.47Å; V240-V315 HydrophobicContact CB-CG1 4.33Å; V240-V315 HydrophobicContact CG1-CG1 4Å; V240-V319 HydrophobicContact CB-CG2 3.62Å; V240-V319 HydrophobicContact CG1-CG2 4.49Å; V240-V319 HydrophobicContact CG2-CG2 3.59Å; V240-L335 PolarHBondContact N-O 3.24Å; V240-I337 PolarHBondContact O-N 2.98Å
241	L	98.1	Very high	96.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.5	-177.1	-60	91.5	0	0	0	110.8	L224 V239 V251 L256 A300 L301 A302 I337	L224-L241 HydrophobicContact CD1-CD2 4.39Å; L224-L241 HydrophobicContact CD2-CD2 4.09Å; V239-L241 HydrophobicContact CG1-CD1 4.08Å; L241-V251 HydrophobicContact CD2-CG1 4.43Å; L241-L256 HydrophobicContact CD1-CD2 4.48Å; L241-A300 PolarHBondContact N-O 3Å; L241-L301 HydrophobicContact CB-CD1 4.05Å; L241-A302 PolarHBondContact O-N 2.82Å; L241-I337 CarbonylContact C-O 3.59Å; L241-I337 WeakPolarHBondContact CA-O 3.18Å; L241-I337 HydrophobicContact CG-CB 4.4Å
242	G	98.2	Very high	95.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133	161.2	0	0	0	0	0	110.2	V315 I337 T338 I339	G242-V315 VanDerWaalsContact CA-CG2 3.49Å; G242-I337 PolarHBondContact N-O 3.28Å; G242-T338 CarbonylContact O-C 3.14Å; G242-T338 WeakPolarHBondContact O-CA 3.42Å; G242-I339 PolarHBondContact O-N 3.45Å
243	M	98.3	Very high	95.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.3	173.9	72.5	-174.2	-61.9	0	0	113.8	R246 R248 V251 L301 I339	M243-R246 VanDerWaalsContact CE-O 3.25Å; M243-R246 WeakPolarHBondContact CE-O 3.43Å; M243-R248 HydrophobicContact CE-CB 4.05Å; M243-R248 HydrophobicContact CE-CG 4.48Å; M243-R248 HydrophobicContact CG-CB 4.46Å; M243-R248 HydrophobicContact CG-CG 4.06Å; M243-R248 PolarHBondContact O-NH1 3.09Å; M243-R248 HydrophobicContact SD-CB 4.1Å; M243-R248 HydrophobicContact SD-CG 3.86Å; M243-V251 HydrophobicContact CE-CB 4.33Å; M243-V251 HydrophobicContact CE-CG2 3.77Å; M243-V251 HydrophobicContact SD-CB 3.87Å; M243-V251 HydrophobicContact SD-CG1 4.04Å; M243-V251 HydrophobicContact SD-CG2 3.89Å; M243-L301 HydrophobicContact CG-CD1 3.84Å; M243-L301 HydrophobicContact SD-CD1 4.21Å; M243-L301 HydrophobicContact SD-CD2 4.45Å; M243-I339 WeakPolarHBondContact CA-O 3.24Å; M243-I339 HydrophobicContact CB-CB 3.68Å; M243-I339 HydrophobicContact CB-CD1 4.05Å; M243-I339 HydrophobicContact CB-CG1 4.18Å; M243-I339 HydrophobicContact CB-CG2 4.42Å; M243-I339 HydrophobicContact CE-CD1 4.41Å; M243-I339 HydrophobicContact SD-CD1 4.37Å
244	A	95.7	Very high	95.4	Very high	16 Å²	16	17.5 Å²	17.5	13%	0.132	10%	0.098	C	C	.	.			trans	-68.7	-170.5	166.9	0	0	0	0	0	112.7	L308 I339	A244-L308 HydrophobicContact CB-CD2 3.98Å; A244-I339 PolarHBondContact N-O 2.85Å
245	H	95.2	Very high	95.3	Very high	34 Å²	34	15.4 Å²	15.4	16%	0.157	8%	0.084	C	C	.	.	S	Bend	trans	-68.1	-31.5	-179	53.7	-100.1	0	0	0	114.5	F212 G247 R248 Y282 H445	F212-H245 HydrophobicContact CB-CB 4.18Å; F212-H245 HydrophobicContact CD1-CB 4.34Å; F212-H245 AromaticContact CD1-CD2 3.38Å; F212-H245 WeakPolarHBondContact CD1-CD2 3.23Å; F212-H245 AromaticContact CD1-CG 3.96Å; F212-H245 HydrophobicContact CD2-CB 3.89Å; F212-H245 AromaticContact CE1-CD2 3.96Å; F212-H245 HydrophobicContact CE2-CB 4.33Å; F212-H245 HydrophobicContact CG-CB 3.88Å; F212-H245 AromaticContact CG-CD2 3.66Å; F212-H245 AromaticContact CG-CG 4Å; H245-G247 PolarHBondContact O-N 3.25Å; H245-R248 WeakPolarHBondContact O-CB 3.35Å; H245-R248 PolarHBondContact O-N 2.75Å; H245-Y282 HydrophobicContact CB-CD2 4.5Å; H245-H445 AromaticContact CE1-CE1 3.94Å; H245-H445 AromaticContact NE2-CE1 3.58Å
246	R	94.9	Very high	95.3	Very high	21 Å²	21	13.4 Å²	13.4	8%	0.079	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	116.8	-170.4	-177.4	62.3	57.6	-154.1	-12	111	S213 M243 R248 I373 H445	S213-R246 VanDerWaalsContact O-CD 3.24Å; S213-R246 WeakPolarHBondContact O-CD 3.32Å; S213-R246 PolarHBondContact O-NH1 3.33Å; M243-R246 VanDerWaalsContact CE-O 3.25Å; M243-R246 WeakPolarHBondContact CE-O 3.43Å; R246-R248 PolarHBondContact O-N 3.4Å; R246-I373 HydrophobicContact CB-CD1 4.11Å; R246-I373 HydrophobicContact CG-CD1 3.93Å; R246-I373 HydrophobicContact CG-CG2 4.09Å; R246-H445 PolarHBondContact NH2-O 3.39Å
247	G	95.1	Very high	94.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	10.8	179.7	0	0	0	0	0	115.6	F212 H245 L249 N250 V251	F212-G247 PolarHBondContact O-N 3.48Å; H245-G247 PolarHBondContact O-N 3.25Å; G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.34Å; G247-N250 WeakPolarHBondContact O-CA 3.4Å; G247-N250 WeakPolarHBondContact O-CB 3.27Å; G247-N250 PolarHBondContact O-N 3.22Å; G247-V251 PolarHBondContact O-N 2.96Å
248	R	96.8	Very high	94.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.6	-40	-175.7	-169.6	-172.2	-178.1	89.8	-4.7	113	M243 H245 R246 N250 V251 L252 Y282 H283 M284 L301 A302 N304	M243-R248 HydrophobicContact CE-CB 4.05Å; M243-R248 HydrophobicContact CE-CG 4.48Å; M243-R248 HydrophobicContact CG-CB 4.46Å; M243-R248 HydrophobicContact CG-CG 4.06Å; M243-R248 PolarHBondContact O-NH1 3.09Å; M243-R248 HydrophobicContact SD-CB 4.1Å; M243-R248 HydrophobicContact SD-CG 3.86Å; H245-R248 WeakPolarHBondContact O-CB 3.35Å; H245-R248 PolarHBondContact O-N 2.75Å; R246-R248 PolarHBondContact O-N 3.4Å; R248-N250 PolarHBondContact O-N 3.01Å; R248-V251 PolarHBondContact O-N 2.93Å; R248-L252 HydrophobicContact CG-CD1 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.3Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.03Å; R248-L252 PolarHBondContact O-N 2.94Å; R248-Y282 WeakPolarHBondContact CD-O 3.2Å; R248-H283 PolarHBondContact NH2-O 2.83Å; R248-M284 PolarHBondContact NE-O 3.39Å; R248-M284 VanDerWaalsContact NH2-C 3.32Å; R248-M284 PolarHBondContact NH2-O 2.93Å; R248-L301 HydrophobicContact CG-CD2 4.21Å; R248-A302 PolarHBondContact NH2-O 3.44Å; R248-N304 PolarHBondContact NH1-OD1 2.8Å; R248-N304 PolarHBondContact NH2-OD1 2.93Å
249	L	94.3	Very high	93.8	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-65.1	-28.6	176.4	-53	178.5	0	0	0	112.1	R211 G247 L252 V253 L263 F267 K281	R211-L249 HydrophobicContact CB-CD1 3.94Å; G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.34Å; L249-L252 HydrophobicContact CD2-CD1 4.16Å; L249-V253 WeakPolarHBondContact O-CG2 3.5Å; L249-V253 PolarHBondContact O-N 3.48Å; L249-L263 HydrophobicContact CB-CD2 4.29Å; L249-L263 HydrophobicContact CD1-CD1 4.49Å; L249-L263 HydrophobicContact CD2-CD1 3.82Å; L249-F267 HydrophobicContact CD1-CE2 3.89Å; L249-F267 HydrophobicContact CD1-CZ 3.77Å; L249-K281 HydrophobicContact CD1-CD 4.44Å; L249-K281 HydrophobicContact CD2-CB 4.44Å; L249-K281 HydrophobicContact CD2-CD 4.48Å
250	N	94.2	Very high	93	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-72.9	-46	176.6	-148.5	-48.4	0	0	0	111.1	A195 E199 L214 I221 G247 R248 V253 N254	A195-N250 PolarHBondContact O-ND2 2.92Å; A195-N250 VanDerWaalsContact O-ND2 3.08Å; E199-N250 VanDerWaalsContact CG-ND2 3.3Å; E199-N250 WeakPolarHBondContact CG-ND2 3.42Å; E199-N250 PolarHBondContact OE1-ND2 3.29Å; E199-N250 VanDerWaalsContact OE1-ND2 3.09Å; L214-N250 HydrophobicContact CB-CB 4.31Å; L214-N250 HydrophobicContact CD2-CB 3.92Å; I221-N250 HydrophobicContact CD1-CB 4.16Å; I221-N250 WeakPolarHBondContact CD1-OD1 3.2Å; I221-N250 WeakPolarHBondContact CG1-OD1 3.5Å; G247-N250 WeakPolarHBondContact O-CA 3.4Å; G247-N250 WeakPolarHBondContact O-CB 3.27Å; G247-N250 PolarHBondContact O-N 3.22Å; R248-N250 PolarHBondContact O-N 3.01Å; N250-V253 PolarHBondContact O-N 3.47Å; N250-N254 WeakPolarHBondContact O-CB 3.31Å; N250-N254 PolarHBondContact O-N 3.27Å; N250-N254 PolarHBondContact OD1-ND2 3.28Å
251	V	96.9	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-43.3	173.3	178.2	0	0	0	0	111.4	L220 I221 L224 L241 M243 G247 R248 V253 V255 L256	L220-V251 HydrophobicContact CD2-CG2 4.33Å; I221-V251 HydrophobicContact CD1-CG2 4.03Å; L224-V251 HydrophobicContact CD1-CG1 4.11Å; L224-V251 HydrophobicContact CD1-CG2 3.72Å; L241-V251 HydrophobicContact CD2-CG1 4.43Å; M243-V251 HydrophobicContact CE-CB 4.33Å; M243-V251 HydrophobicContact CE-CG2 3.77Å; M243-V251 HydrophobicContact SD-CB 3.87Å; M243-V251 HydrophobicContact SD-CG1 4.04Å; M243-V251 HydrophobicContact SD-CG2 3.89Å; G247-V251 PolarHBondContact O-N 2.96Å; R248-V251 PolarHBondContact O-N 2.93Å; V251-V253 VanDerWaalsContact C-N 3.34Å; V251-V253 PolarHBondContact O-N 2.86Å; V251-V255 HydrophobicContact CB-CG2 4.48Å; V251-V255 HydrophobicContact CG1-CB 4.09Å; V251-V255 HydrophobicContact CG1-CG2 4.19Å; V251-V255 WeakPolarHBondContact O-CB 3.36Å; V251-V255 PolarHBondContact O-N 3.47Å; V251-V255 VanDerWaalsContact O-N 3.12Å; V251-L256 HydrophobicContact CG1-CD1 4.02Å; V251-L256 PolarHBondContact O-N 2.74Å
252	L	93.6	Very high	91.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-54.4	-45.5	176.2	-81.8	167.7	0	0	0	112.8	R248 L249 L256 G257 K258 F286 L301	R248-L252 HydrophobicContact CG-CD1 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.3Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.03Å; R248-L252 PolarHBondContact O-N 2.94Å; L249-L252 HydrophobicContact CD2-CD1 4.16Å; L252-L256 HydrophobicContact CD2-CD1 4.37Å; L252-L256 CarbonylContact O-C 3.58Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-G257 PolarHBondContact O-N 3.02Å; L252-K258 HydrophobicContact CB-CB 4.32Å; L252-K258 HydrophobicContact CD2-CD 4.31Å; L252-K258 VanDerWaalsContact O-CB 3.29Å; L252-K258 WeakPolarHBondContact O-CB 3.02Å; L252-K258 PolarHBondContact O-N 2.84Å; L252-F286 HydrophobicContact CD2-CB 3.46Å; L252-F286 VanDerWaalsContact CD2-CB 3.46Å; L252-F286 HydrophobicContact CD2-CG 4.24Å; L252-L301 HydrophobicContact CD2-CD2 3.79Å; L252-L301 HydrophobicContact CG-CD2 3.99Å
253	V	90.2	Very high	91	Very high	17 Å²	17	25.8 Å²	25.8	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-84.9	-55.9	-178.3	175.2	0	0	0	0	111.9	L198 L249 N250 V251 G257 P260 L263	L198-V253 HydrophobicContact CD1-CG1 4.45Å; L198-V253 HydrophobicContact CD2-CB 3.63Å; L198-V253 HydrophobicContact CD2-CG1 3.92Å; L198-V253 HydrophobicContact CD2-CG2 4.03Å; L249-V253 WeakPolarHBondContact O-CG2 3.5Å; L249-V253 PolarHBondContact O-N 3.48Å; N250-V253 PolarHBondContact O-N 3.47Å; V251-V253 VanDerWaalsContact C-N 3.34Å; V251-V253 PolarHBondContact O-N 2.86Å; V253-G257 WeakPolarHBondContact O-CA 3.44Å; V253-G257 PolarHBondContact O-N 2.72Å; V253-G257 VanDerWaalsContact O-N 3.13Å; V253-P260 HydrophobicContact CG1-CG 3.95Å; V253-L263 HydrophobicContact CG2-CD2 3.83Å
254	N	89.9	Confident	90.5	Very high	29 Å²	29	26.7 Å²	26.7	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-84.9	-18.7	-165.6	-70.3	-33.8	0	0	0	114.6	A194 I221 K225 N250	A194-N254 VanDerWaalsContact C-ND2 3.27Å; A194-N254 PolarHBondContact O-ND2 2.83Å; I221-N254 HydrophobicContact CG2-CB 4.03Å; K225-N254 WeakPolarHBondContact CD-O 3.39Å; K225-N254 WeakPolarHBondContact CE-O 3.37Å; K225-N254 PolarHBondContact NZ-O 2.8Å; N250-N254 WeakPolarHBondContact O-CB 3.31Å; N250-N254 PolarHBondContact O-N 3.27Å; N250-N254 PolarHBondContact OD1-ND2 3.28Å
255	V	93.3	Very high	90.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.024	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-47.3	176.4	-172.9	0	0	0	0	110.9	I221 L224 K225 I228 V251	I221-V255 HydrophobicContact CD1-CG2 4.01Å; I221-V255 HydrophobicContact CG2-CG2 4.28Å; L224-V255 HydrophobicContact CB-CG1 4.31Å; L224-V255 HydrophobicContact CB-CG2 4.28Å; L224-V255 HydrophobicContact CD1-CG2 4.37Å; K225-V255 HydrophobicContact CD-CG2 4.27Å; K225-V255 HydrophobicContact CG-CB 4.34Å; K225-V255 HydrophobicContact CG-CG1 4.07Å; K225-V255 HydrophobicContact CG-CG2 3.96Å; I228-V255 HydrophobicContact CD1-CG1 3.56Å; V251-V255 HydrophobicContact CB-CG2 4.48Å; V251-V255 HydrophobicContact CG1-CB 4.09Å; V251-V255 HydrophobicContact CG1-CG2 4.19Å; V251-V255 WeakPolarHBondContact O-CB 3.36Å; V251-V255 PolarHBondContact O-N 3.47Å; V251-V255 VanDerWaalsContact O-N 3.12Å
256	L	92.4	Very high	89.7	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.8	-173	-64.9	160.3	0	0	0	114.2	L241 V251 L252 K258 F286 S288 L299 L301	L241-L256 HydrophobicContact CD1-CD2 4.48Å; V251-L256 HydrophobicContact CG1-CD1 4.02Å; V251-L256 PolarHBondContact O-N 2.74Å; L252-L256 HydrophobicContact CD2-CD1 4.37Å; L252-L256 CarbonylContact O-C 3.58Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L256-K258 PolarHBondContact O-N 3Å; L256-F286 HydrophobicContact CB-CD1 4.22Å; L256-S288 VanDerWaalsContact O-CB 3.29Å; L256-S288 WeakPolarHBondContact O-CB 3.34Å; L256-S288 PolarHBondContact O-OG 3.32Å; L256-L299 HydrophobicContact CD2-CB 3.5Å; L256-L299 HydrophobicContact CD2-CD1 3.92Å; L256-L299 HydrophobicContact CD2-CG 4.38Å; L256-L301 HydrophobicContact CD1-CB 3.5Å; L256-L301 HydrophobicContact CD1-CD2 3.69Å; L256-L301 HydrophobicContact CD1-CG 4.22Å
257	G	86.8	Confident	89.3	Confident	53 Å²	53	27.9 Å²	27.9	55%	0.546	15%	0.153	S	C	.	.			trans	71.4	20.9	175.4	0	0	0	0	0	115.5	L252 V253 K259	L252-G257 PolarHBondContact O-N 3.02Å; V253-G257 WeakPolarHBondContact O-CA 3.44Å; V253-G257 PolarHBondContact O-N 2.72Å; V253-G257 VanDerWaalsContact O-N 3.13Å; G257-K259 PolarHBondContact O-N 2.87Å
258	K	87.5	Confident	88.9	Confident	9 Å²	9	30.3 Å²	30.3	4%	0.039	17%	0.173	C	C	.	.			trans	-57.9	128.8	169	-177.5	172	-179	176.2	0	108.6	L252 L256 E266 F286	L252-K258 HydrophobicContact CB-CB 4.32Å; L252-K258 HydrophobicContact CD2-CD 4.31Å; L252-K258 VanDerWaalsContact O-CB 3.29Å; L252-K258 WeakPolarHBondContact O-CB 3.02Å; L252-K258 PolarHBondContact O-N 2.84Å; L256-K258 PolarHBondContact O-N 3Å; K258-E266 VanDerWaalsContact NZ-CD 3.35Å; K258-E266 IonicContact NZ-OE1 3.71Å; K258-E266 PolarHBondContact NZ-OE1 3.19Å; K258-E266 IonicContact NZ-OE2 3.36Å; K258-E266 PolarHBondContact NZ-OE2 3.02Å; K258-F286 HydrophobicContact CB-CD1 4.09Å; K258-F286 HydrophobicContact CB-CD2 4.09Å; K258-F286 HydrophobicContact CB-CE1 3.93Å; K258-F286 HydrophobicContact CB-CE2 3.94Å; K258-F286 HydrophobicContact CB-CG 4.16Å; K258-F286 HydrophobicContact CB-CZ 3.86Å; K258-F286 HydrophobicContact CD-CD2 3.92Å; K258-F286 HydrophobicContact CD-CE2 4.05Å; K258-F286 HydrophobicContact CG-CD2 4.02Å; K258-F286 HydrophobicContact CG-CE2 3.72Å; K258-F286 HydrophobicContact CG-CZ 4.04Å
259	K	82	Confident	88.2	Confident	137 Å²	137	33.5 Å²	33.5	60%	0.596	21%	0.206	S	C	*	.			trans	-57.7	128.9	-176.1	-62.4	174.6	-171.3	161.3	0	110.1	G257 Q261 D262 L263	G257-K259 PolarHBondContact O-N 2.87Å; K259-Q261 PolarHBondContact O-N 3.37Å; K259-D262 HydrophobicContact CB-CB 4.47Å; K259-D262 PolarHBondContact O-N 3.36Å; K259-L263 PolarHBondContact O-N 2.9Å
260	P	82.3	Confident	87	Confident	58 Å²	58	41.2 Å²	41.2	38%	0.377	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-32.7	178.5	-26.6	34.1	0	0	0	113.4	V253 L263 F264	V253-P260 HydrophobicContact CG1-CG 3.95Å; P260-L263 PolarHBondContact O-N 3.49Å; P260-F264 HydrophobicContact CB-CE1 4.25Å; P260-F264 HydrophobicContact CB-CE2 3.71Å; P260-F264 HydrophobicContact CB-CZ 3.53Å; P260-F264 WeakPolarHBondContact O-CD1 3.42Å; P260-F264 WeakPolarHBondContact O-CD2 3.32Å; P260-F264 WeakPolarHBondContact O-CE2 3.29Å; P260-F264 WeakPolarHBondContact O-CG 3.48Å; P260-F264 PolarHBondContact O-N 3.44Å
261	Q	79.7	Confident	85.6	Confident	99 Å²	99	45 Å²	45	46%	0.463	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-47.1	-179.5	-177.6	53.7	40	0	0	112.5	K259 L263 F264 D265	K259-Q261 PolarHBondContact O-N 3.37Å; Q261-L263 VanDerWaalsContact C-N 3.27Å; Q261-L263 PolarHBondContact O-N 2.86Å; Q261-F264 CarbonylContact O-C 3.45Å; Q261-F264 WeakPolarHBondContact O-CA 3.2Å; Q261-F264 WeakPolarHBondContact O-CB 3.27Å; Q261-F264 PolarHBondContact O-N 2.83Å; Q261-D265 VanDerWaalsContact NE2-CG 3.31Å; Q261-D265 PolarHBondContact NE2-OD1 3.18Å; Q261-D265 PolarHBondContact NE2-OD2 3.02Å; Q261-D265 PolarHBondContact O-N 3.27Å
262	D	85.8	Confident	84	Confident	55 Å²	55	54.4 Å²	54.4	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-44.5	177.9	-48.7	2.9	0	0	0	110.2	K259 F264 D265 E266	K259-D262 HydrophobicContact CB-CB 4.47Å; K259-D262 PolarHBondContact O-N 3.36Å; D262-F264 PolarHBondContact O-N 3.23Å; D262-D265 PolarHBondContact O-N 3.23Å; D262-E266 PolarHBondContact O-N 2.91Å
263	L	86	Confident	82.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-39.1	172.7	177.1	63.5	0	0	0	112.5	L202 L249 V253 K259 P260 Q261 D265 E266 F267 K281	L202-L263 HydrophobicContact CD1-CD2 4.46Å; L202-L263 HydrophobicContact CD2-CD2 4.47Å; L249-L263 HydrophobicContact CB-CD2 4.29Å; L249-L263 HydrophobicContact CD1-CD1 4.49Å; L249-L263 HydrophobicContact CD2-CD1 3.82Å; V253-L263 HydrophobicContact CG2-CD2 3.83Å; K259-L263 PolarHBondContact O-N 2.9Å; P260-L263 PolarHBondContact O-N 3.49Å; Q261-L263 VanDerWaalsContact C-N 3.27Å; Q261-L263 PolarHBondContact O-N 2.86Å; L263-D265 VanDerWaalsContact C-N 3.3Å; L263-D265 PolarHBondContact O-N 3.4Å; L263-E266 WeakPolarHBondContact CD1-OE2 3.39Å; L263-E266 WeakPolarHBondContact O-CB 3.28Å; L263-E266 PolarHBondContact O-N 2.9Å; L263-F267 HydrophobicContact CD1-CD2 4.09Å; L263-F267 HydrophobicContact CD1-CE2 3.88Å; L263-F267 HydrophobicContact CG-CD2 4.16Å; L263-F267 HydrophobicContact CG-CE2 4.09Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 3.05Å; L263-K281 HydrophobicContact CD1-CD 4.09Å
264	F	87.6	Confident	81.6	Confident	20 Å²	20	64.3 Å²	64.3	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-32.9	176.4	-56.3	-28.4	0	0	0	112.3	Y201 L202 K205 F206 P260 Q261 D262 F267 A268	Y201-F264 AromaticContact CD1-CE1 3.81Å; Y201-F264 HydrophobicContact CD1-CE1 3.81Å; Y201-F264 AromaticContact CD1-CZ 3.71Å; Y201-F264 HydrophobicContact CD1-CZ 3.71Å; Y201-F264 HydrophobicContact CE1-CD1 4.28Å; Y201-F264 HydrophobicContact CE1-CD2 4.46Å; Y201-F264 AromaticContact CE1-CE1 3.52Å; Y201-F264 HydrophobicContact CE1-CE1 3.52Å; Y201-F264 AromaticContact CE1-CE2 3.73Å; Y201-F264 HydrophobicContact CE1-CE2 3.73Å; Y201-F264 AromaticContact CE1-CZ 3.2Å; Y201-F264 HydrophobicContact CE1-CZ 3.2Å; L202-F264 HydrophobicContact CD2-CD1 4.06Å; L202-F264 HydrophobicContact CD2-CE1 3.86Å; K205-F264 VanDerWaalsContact NZ-CG 3.34Å; F206-F264 HydrophobicContact CE2-CB 4.25Å; F206-F264 AromaticContact CE2-CD1 3.96Å; F206-F264 HydrophobicContact CE2-CD1 3.96Å; F206-F264 HydrophobicContact CE2-CG 4.41Å; F206-F264 HydrophobicContact CZ-CB 4.1Å; F206-F264 WeakPolarHBondContact CZ-O 3.22Å; P260-F264 HydrophobicContact CB-CE1 4.25Å; P260-F264 HydrophobicContact CB-CE2 3.71Å; P260-F264 HydrophobicContact CB-CZ 3.53Å; P260-F264 WeakPolarHBondContact O-CD1 3.42Å; P260-F264 WeakPolarHBondContact O-CD2 3.32Å; P260-F264 WeakPolarHBondContact O-CE2 3.29Å; P260-F264 WeakPolarHBondContact O-CG 3.48Å; P260-F264 PolarHBondContact O-N 3.44Å; Q261-F264 CarbonylContact O-C 3.45Å; Q261-F264 WeakPolarHBondContact O-CA 3.2Å; Q261-F264 WeakPolarHBondContact O-CB 3.27Å; Q261-F264 PolarHBondContact O-N 2.83Å; D262-F264 PolarHBondContact O-N 3.23Å; F264-F267 WeakPolarHBondContact O-CB 3.08Å; F264-F267 PolarHBondContact O-N 3.15Å; F264-A268 PolarHBondContact O-N 2.59Å
265	D	88	Confident	81.2	Confident	50 Å²	50	71.9 Å²	71.9	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-75.6	-29.7	175.2	-71.2	-44.4	0	0	0	112.4	Q261 D262 L263 F267 A268 G269 K270	Q261-D265 VanDerWaalsContact NE2-CG 3.31Å; Q261-D265 PolarHBondContact NE2-OD1 3.18Å; Q261-D265 PolarHBondContact NE2-OD2 3.02Å; Q261-D265 PolarHBondContact O-N 3.27Å; D262-D265 PolarHBondContact O-N 3.23Å; L263-D265 VanDerWaalsContact C-N 3.3Å; L263-D265 PolarHBondContact O-N 3.4Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.04Å; D265-A268 CarbonylContact O-C 3.6Å; D265-A268 PolarHBondContact O-N 3.4Å; D265-G269 PolarHBondContact O-N 3.14Å; D265-K270 HydrophobicContact CB-CB 4.39Å; D265-K270 PolarHBondContact O-N 2.8Å
266	E	87.2	Confident	80.8	Confident	20 Å²	20	73.1 Å²	73.1	9%	0.093	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-25.8	164.2	-69.5	173.2	177.3	0	0	113.5	K258 D262 L263 H271 K281	K258-E266 VanDerWaalsContact NZ-CD 3.35Å; K258-E266 IonicContact NZ-OE1 3.71Å; K258-E266 PolarHBondContact NZ-OE1 3.19Å; K258-E266 IonicContact NZ-OE2 3.36Å; K258-E266 PolarHBondContact NZ-OE2 3.02Å; D262-E266 PolarHBondContact O-N 2.91Å; L263-E266 WeakPolarHBondContact CD1-OE2 3.39Å; L263-E266 WeakPolarHBondContact O-CB 3.28Å; L263-E266 PolarHBondContact O-N 2.9Å; E266-H271 HydrophobicContact CG-CB 4.35Å; E266-H271 IonicContact OE1-CE1 2.72Å; E266-H271 PolarHBondContact OE1-CE1 3.48Å; E266-H271 IonicContact OE1-ND1 3.7Å; E266-K281 HydrophobicContact CB-CB 4.24Å; E266-K281 HydrophobicContact CB-CD 4.4Å; E266-K281 PolarHBondContact O-NZ 2.68Å; E266-K281 VanDerWaalsContact OE2-CB 3.22Å; E266-K281 WeakPolarHBondContact OE2-CB 3.27Å
267	F	86.2	Confident	80.7	Confident	26 Å²	26	77.7 Å²	77.7	11%	0.114	42%	0.424	C	S	.	.	H	α-helix	trans	-80.3	-33.5	168.6	-87.9	-85.7	0	0	0	112.4	L202 F206 A209 R211 L249 L263 F264 D265 G269 K281	L202-F267 HydrophobicContact CD1-CE2 4.39Å; L202-F267 HydrophobicContact CD2-CD2 4.07Å; L202-F267 HydrophobicContact CD2-CE2 3.68Å; L202-F267 HydrophobicContact CD2-CZ 4.23Å; F206-F267 HydrophobicContact CB-CD1 3.72Å; F206-F267 HydrophobicContact CB-CE1 4.21Å; F206-F267 HydrophobicContact CB-CG 4.38Å; F206-F267 HydrophobicContact CD1-CB 3.71Å; F206-F267 HydrophobicContact CD1-CD1 4.38Å; F206-F267 HydrophobicContact CD1-CG 4.36Å; F206-F267 HydrophobicContact CD2-CB 3.56Å; F206-F267 AromaticContact CD2-CD1 3.74Å; F206-F267 HydrophobicContact CD2-CD1 3.74Å; F206-F267 HydrophobicContact CD2-CD2 4.04Å; F206-F267 HydrophobicContact CD2-CE1 4.42Å; F206-F267 AromaticContact CD2-CG 3.53Å; F206-F267 HydrophobicContact CD2-CG 3.53Å; F206-F267 HydrophobicContact CE1-CB 3.57Å; F206-F267 HydrophobicContact CE2-CB 3.4Å; F206-F267 VanDerWaalsContact CE2-CB 3.4Å; F206-F267 HydrophobicContact CE2-CD1 4.43Å; F206-F267 HydrophobicContact CE2-CD2 4.1Å; F206-F267 AromaticContact CE2-CG 3.77Å; F206-F267 HydrophobicContact CE2-CG 3.77Å; F206-F267 HydrophobicContact CG-CB 3.7Å; F206-F267 AromaticContact CG-CD1 3.7Å; F206-F267 HydrophobicContact CG-CD1 3.7Å; F206-F267 AromaticContact CG-CG 3.84Å; F206-F267 HydrophobicContact CG-CG 3.84Å; F206-F267 HydrophobicContact CZ-CB 3.4Å; F206-F267 HydrophobicContact CZ-CG 4.28Å; A209-F267 HydrophobicContact CB-CD1 3.86Å; A209-F267 HydrophobicContact CB-CE1 3.77Å; R211-F267 HydrophobicContact CB-CE1 4.35Å; R211-F267 HydrophobicContact CB-CZ 3.86Å; L249-F267 HydrophobicContact CD1-CE2 3.89Å; L249-F267 HydrophobicContact CD1-CZ 3.77Å; L263-F267 HydrophobicContact CD1-CD2 4.09Å; L263-F267 HydrophobicContact CD1-CE2 3.88Å; L263-F267 HydrophobicContact CG-CD2 4.16Å; L263-F267 HydrophobicContact CG-CE2 4.09Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 3.05Å; F264-F267 WeakPolarHBondContact O-CB 3.08Å; F264-F267 PolarHBondContact O-N 3.15Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.04Å; F267-G269 VanDerWaalsContact C-N 3.27Å; F267-G269 PolarHBondContact O-N 3.26Å; F267-K281 VanDerWaalsContact CD1-CE 3.49Å; F267-K281 HydrophobicContact CD2-CD 3.88Å; F267-K281 HydrophobicContact CE1-CD 4.39Å; F267-K281 VanDerWaalsContact CE1-CE 3.41Å; F267-K281 HydrophobicContact CE2-CD 3.68Å; F267-K281 HydrophobicContact CG-CD 4.3Å; F267-K281 HydrophobicContact CZ-CD 3.95Å; F267-K281 VanDerWaalsContact CZ-CE 3.46Å
268	A	86.9	Confident	80.8	Confident	51 Å²	51	76.8 Å²	76.8	42%	0.421	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.4	176	0	0	0	0	0	114.3	F264 D265 K270	F264-A268 PolarHBondContact O-N 2.59Å; D265-A268 CarbonylContact O-C 3.6Å; D265-A268 PolarHBondContact O-N 3.4Å; A268-K270 VanDerWaalsContact C-N 3.28Å; A268-K270 HydrophobicContact CB-CD 4.25Å; A268-K270 HydrophobicContact CB-CG 4.11Å; A268-K270 PolarHBondContact O-N 2.88Å
269	G	81.3	Confident	81	Confident	68 Å²	68	78.8 Å²	78.8	70%	0.701	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	19.1	-177.9	0	0	0	0	0	114.2	D265 F267 H271	D265-G269 PolarHBondContact O-N 3.14Å; F267-G269 VanDerWaalsContact C-N 3.27Å; F267-G269 PolarHBondContact O-N 3.26Å; G269-H271 VanDerWaalsContact C-N 3.35Å
270	K	68.4	Low	81.4	Confident	163 Å²	163	75 Å²	75	71%	0.709	41%	0.414	S	S	*	.			trans	-94.8	15.7	-174.9	-66.9	-175.8	178	179.5	0	113.7	D265 A268	D265-K270 HydrophobicContact CB-CB 4.39Å; D265-K270 PolarHBondContact O-N 2.8Å; A268-K270 VanDerWaalsContact C-N 3.28Å; A268-K270 HydrophobicContact CB-CD 4.25Å; A268-K270 HydrophobicContact CB-CG 4.11Å; A268-K270 PolarHBondContact O-N 2.88Å
271	H	66.1	Low	81.8	Confident	80 Å²	80	74.1 Å²	74.1	37%	0.37	40%	0.404	S	S	.	.			trans	-88.2	135.8	-169.7	-147.2	-134.2	0	0	0	112.3	E266 G269 E273	E266-H271 HydrophobicContact CG-CB 4.35Å; E266-H271 IonicContact OE1-CE1 2.72Å; E266-H271 PolarHBondContact OE1-CE1 3.48Å; E266-H271 IonicContact OE1-ND1 3.7Å; G269-H271 VanDerWaalsContact C-N 3.35Å; H271-E273 IonicContact CE1-OE2 3.19Å; H271-E273 PolarHBondContact CE1-OE2 2.87Å; H271-E273 IonicContact ND1-OE2 2.84Å
272	K	61.9	Low	82.3	Confident	198 Å²	198	71.2 Å²	71.2	86%	0.861	39%	0.389	S	S	*	.			trans	-148.1	51.1	176.8	-160.9	-174.5	-179.9	-178.8	0	111
273	E	62.5	Low	82.8	Confident	114 Å²	114	69.1 Å²	69.1	53%	0.533	38%	0.377	S	S	.	.			trans	-66.5	-38.1	-172.5	-154.7	175.8	-161.5	0	0	112.7	H271	H271-E273 IonicContact CE1-OE2 3.19Å; H271-E273 PolarHBondContact CE1-OE2 2.87Å; H271-E273 IonicContact ND1-OE2 2.84Å
274	H	71.3	Confident	83.1	Confident	111 Å²	111	70.2 Å²	70.2	51%	0.514	38%	0.383	S	S	.	.			trans	-136	166.6	-171.8	-60.7	-19.9	0	0	0	111.7
275	L	81.3	Confident	83.2	Confident	189 Å²	189	69.6 Å²	69.6	99%	0.99	38%	0.382	S	S	*	.	S	Bend	trans	-79.8	-17.2	174.2	-94.2	89.8	0	0	0	114.1
276	G	85	Confident	83.5	Confident	30 Å²	30	70 Å²	70	31%	0.309	38%	0.382	S	S	.	.	S	Bend	trans	-75.7	175.6	-177.5	0	0	0	0	0	113.8	G278 Q647	G276-G278 PolarHBondContact O-N 2.77Å; G276-G278 VanDerWaalsContact O-N 3.14Å; G276-Q647 CarbonylContact C-O 3.58Å
277	T	90	Very high	83.8	Confident	100 Å²	100	72.7 Å²	72.7	61%	0.613	40%	0.403	S	S	*	.			trans	-57.7	-28.1	-179.2	64.5	0	0	0	0	114	Q647	T277-Q647 HydrophobicContact CG2-CB 4.29Å; T277-Q647 PolarHBondContact N-O 2.98Å; T277-Q647 VanDerWaalsContact N-O 3.15Å; T277-Q647 PolarHBondContact OG1-O 2.75Å
278	G	88.7	Confident	84.1	Confident	34 Å²	34	72.7 Å²	72.7	35%	0.351	41%	0.406	S	S	.	.			trans	71.5	-175.1	-172	0	0	0	0	0	113	G276 Q647 K648	G276-G278 PolarHBondContact O-N 2.77Å; G276-G278 VanDerWaalsContact O-N 3.14Å; G278-Q647 PolarHBondContact N-O 3.24Å; G278-K648 CarbonylContact C-O 3.56Å; G278-K648 WeakPolarHBondContact CA-O 3.48Å; G278-K648 WeakPolarHBondContact O-CA 3.14Å
279	D	92	Very high	84.5	Confident	51 Å²	51	70.8 Å²	70.8	27%	0.273	39%	0.389	S	S	.	.			trans	-153.5	175.6	-179.4	-160.9	-9.3	0	0	0	108.8	H283 M284 K648 W649	D279-H283 IonicContact OD1-CE1 3.41Å; D279-H283 IonicContact OD1-CG 2.74Å; D279-H283 IonicContact OD1-ND1 3.02Å; D279-H283 PolarHBondContact OD1-ND1 3.11Å; D279-H283 IonicContact OD2-CG 3.92Å; D279-H283 IonicContact OD2-ND1 3.63Å; D279-H283 PolarHBondContact OD2-ND1 3.38Å; D279-M284 HydrophobicContact CB-CE 3.75Å; D279-M284 VanDerWaalsContact O-CE 3.25Å; D279-M284 WeakPolarHBondContact O-CE 3.36Å; D279-K648 HydrophobicContact CB-CB 4.04Å; D279-K648 HydrophobicContact CB-CG 4.44Å; D279-K648 PolarHBondContact N-O 3.46Å; D279-K648 WeakPolarHBondContact OD2-CE 3.22Å; D279-W649 PolarHBondContact OD2-NE1 3.46Å
280	V	90.6	Very high	85	Confident	57 Å²	57	68.8 Å²	68.8	35%	0.345	36%	0.361	S	S	.	.			trans	-72.4	143.1	180	-69.1	0	0	0	0	112.5	Y282 H283	V280-Y282 HydrophobicContact CB-CE1 4.01Å; V280-Y282 HydrophobicContact CB-CE2 4.04Å; V280-Y282 HydrophobicContact CG2-CD2 3.82Å; V280-Y282 HydrophobicContact CG2-CE1 4.19Å; V280-Y282 HydrophobicContact CG2-CE2 3.29Å; V280-Y282 HydrophobicContact CG2-CG 4.46Å; V280-Y282 VanDerWaalsContact CG2-CZ 3.48Å; V280-Y282 PolarHBondContact O-N 2.82Å; V280-H283 HydrophobicContact CG2-CB 4.39Å; V280-H283 WeakPolarHBondContact CG2-CE1 3.17Å; V280-H283 VanDerWaalsContact CG2-ND1 3.3Å; V280-H283 WeakPolarHBondContact CG2-ND1 3.42Å; V280-H283 WeakPolarHBondContact O-CB 3.19Å; V280-H283 PolarHBondContact O-N 3.34Å
281	K	91	Very high	86.1	Confident	39 Å²	39	65 Å²	65	17%	0.17	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-31.6	-177.9	47.7	171.2	154.7	-77.2	0	116.4	L249 L263 E266 F267 H283	L249-K281 HydrophobicContact CD1-CD 4.44Å; L249-K281 HydrophobicContact CD2-CB 4.44Å; L249-K281 HydrophobicContact CD2-CD 4.48Å; L263-K281 HydrophobicContact CD1-CD 4.09Å; E266-K281 HydrophobicContact CB-CB 4.24Å; E266-K281 HydrophobicContact CB-CD 4.4Å; E266-K281 PolarHBondContact O-NZ 2.68Å; E266-K281 VanDerWaalsContact OE2-CB 3.22Å; E266-K281 WeakPolarHBondContact OE2-CB 3.27Å; F267-K281 VanDerWaalsContact CD1-CE 3.49Å; F267-K281 HydrophobicContact CD2-CD 3.88Å; F267-K281 HydrophobicContact CE1-CD 4.39Å; F267-K281 VanDerWaalsContact CE1-CE 3.41Å; F267-K281 HydrophobicContact CE2-CD 3.68Å; F267-K281 HydrophobicContact CG-CD 4.3Å; F267-K281 HydrophobicContact CZ-CD 3.95Å; F267-K281 VanDerWaalsContact CZ-CE 3.46Å; K281-H283 VanDerWaalsContact C-N 3.31Å; K281-H283 PolarHBondContact O-N 3.23Å
282	Y	91.4	Very high	87.4	Confident	39 Å²	39	61.7 Å²	61.7	15%	0.153	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	14	178	51.1	-100.4	0	0	0	114.4	F212 H245 R248 V280	F212-Y282 AromaticContact CD2-CD1 3.94Å; F212-Y282 HydrophobicContact CD2-CD1 3.94Å; F212-Y282 HydrophobicContact CD2-CD2 4.06Å; F212-Y282 HydrophobicContact CD2-CE1 4.21Å; F212-Y282 HydrophobicContact CD2-CE2 4.3Å; F212-Y282 AromaticContact CD2-CG 3.88Å; F212-Y282 HydrophobicContact CD2-CG 3.88Å; F212-Y282 AromaticContact CE2-CD1 3.98Å; F212-Y282 HydrophobicContact CE2-CD1 3.98Å; F212-Y282 AromaticContact CE2-CD2 3.82Å; F212-Y282 HydrophobicContact CE2-CD2 3.82Å; F212-Y282 AromaticContact CE2-CE1 3.79Å; F212-Y282 HydrophobicContact CE2-CE1 3.79Å; F212-Y282 AromaticContact CE2-CE2 3.6Å; F212-Y282 HydrophobicContact CE2-CE2 3.6Å; F212-Y282 HydrophobicContact CE2-CG 4.01Å; F212-Y282 AromaticContact CE2-CZ 3.6Å; H245-Y282 HydrophobicContact CB-CD2 4.5Å; R248-Y282 WeakPolarHBondContact CD-O 3.2Å; V280-Y282 HydrophobicContact CB-CE1 4.01Å; V280-Y282 HydrophobicContact CB-CE2 4.04Å; V280-Y282 HydrophobicContact CG2-CD2 3.82Å; V280-Y282 HydrophobicContact CG2-CE1 4.19Å; V280-Y282 HydrophobicContact CG2-CE2 3.29Å; V280-Y282 HydrophobicContact CG2-CG 4.46Å; V280-Y282 VanDerWaalsContact CG2-CZ 3.48Å; V280-Y282 PolarHBondContact O-N 2.82Å
283	H	95.5	Very high	88.8	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.046	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-20.5	163.8	-69.2	168.6	0	0	0	112.4	R248 D279 V280 K281 G285 F303 N304 S306	R248-H283 PolarHBondContact NH2-O 2.83Å; D279-H283 IonicContact OD1-CE1 3.41Å; D279-H283 IonicContact OD1-CG 2.74Å; D279-H283 IonicContact OD1-ND1 3.02Å; D279-H283 PolarHBondContact OD1-ND1 3.11Å; D279-H283 IonicContact OD2-CG 3.92Å; D279-H283 IonicContact OD2-ND1 3.63Å; D279-H283 PolarHBondContact OD2-ND1 3.38Å; V280-H283 HydrophobicContact CG2-CB 4.39Å; V280-H283 WeakPolarHBondContact CG2-CE1 3.17Å; V280-H283 VanDerWaalsContact CG2-ND1 3.3Å; V280-H283 WeakPolarHBondContact CG2-ND1 3.42Å; V280-H283 WeakPolarHBondContact O-CB 3.19Å; V280-H283 PolarHBondContact O-N 3.34Å; K281-H283 VanDerWaalsContact C-N 3.31Å; K281-H283 PolarHBondContact O-N 3.23Å; H283-G285 PolarHBondContact O-N 3.43Å; H283-F303 WeakPolarHBondContact O-CA 3.26Å; H283-N304 WeakPolarHBondContact CA-O 3.49Å; H283-N304 WeakPolarHBondContact CB-O 3.45Å; H283-N304 PolarHBondContact CD2-O 2.81Å; H283-N304 PolarHBondContact O-N 2.7Å; H283-S306 PolarHBondContact CE1-N 2.83Å; H283-S306 PolarHBondContact CE1-OG 3.43Å; H283-S306 PolarHBondContact NE2-N 3.41Å; H283-S306 PolarHBondContact NE2-OG 3.31Å
284	M	91.3	Very high	90.2	Very high	24 Å²	24	55.8 Å²	55.8	12%	0.118	33%	0.325	C	S	.	.			trans	-64.4	131.6	-175.8	-63	-55.8	171.8	0	0	111.6	R248 D279 F303	R248-M284 PolarHBondContact NE-O 3.39Å; R248-M284 VanDerWaalsContact NH2-C 3.32Å; R248-M284 PolarHBondContact NH2-O 2.93Å; D279-M284 HydrophobicContact CB-CE 3.75Å; D279-M284 VanDerWaalsContact O-CE 3.25Å; D279-M284 WeakPolarHBondContact O-CE 3.36Å; M284-F303 HydrophobicContact CB-CE1 4.36Å; M284-F303 HydrophobicContact SD-CD1 4.17Å; M284-F303 HydrophobicContact SD-CE1 3.83Å
285	G	91.3	Very high	91.1	Very high	7 Å²	7	51.8 Å²	51.8	7%	0.072	31%	0.314	C	S	.	.			trans	-79.9	176.8	166.9	0	0	0	0	0	111.5	H283 L301	H283-G285 PolarHBondContact O-N 3.43Å; G285-L301 WeakPolarHBondContact CA-O 3.39Å
286	F	92.9	Very high	91.7	Very high	60 Å²	60	45.7 Å²	45.7	26%	0.263	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.1	175.1	-158.6	-105.3	0	0	0	110.2	L252 L256 K258 L301	L252-F286 HydrophobicContact CD2-CB 3.46Å; L252-F286 VanDerWaalsContact CD2-CB 3.46Å; L252-F286 HydrophobicContact CD2-CG 4.24Å; L256-F286 HydrophobicContact CB-CD1 4.22Å; K258-F286 HydrophobicContact CB-CD1 4.09Å; K258-F286 HydrophobicContact CB-CD2 4.09Å; K258-F286 HydrophobicContact CB-CE1 3.93Å; K258-F286 HydrophobicContact CB-CE2 3.94Å; K258-F286 HydrophobicContact CB-CG 4.16Å; K258-F286 HydrophobicContact CB-CZ 3.86Å; K258-F286 HydrophobicContact CD-CD2 3.92Å; K258-F286 HydrophobicContact CD-CE2 4.05Å; K258-F286 HydrophobicContact CG-CD2 4.02Å; K258-F286 HydrophobicContact CG-CE2 3.72Å; K258-F286 HydrophobicContact CG-CZ 4.04Å; F286-L301 PolarHBondContact N-O 2.94Å; F286-L301 PolarHBondContact O-N 3.43Å
287	S	93.5	Very high	92.2	Very high	76 Å²	76	44.2 Å²	44.2	53%	0.531	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.5	176.9	-67.3	0	0	0	0	110.1	L299	S287-L299 WeakPolarHBondContact CA-O 3.45Å
288	S	94.1	Very high	92.5	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	174.6	177.4	49.8	0	0	0	0	107.9	L256 H298 L299	L256-S288 VanDerWaalsContact O-CB 3.29Å; L256-S288 WeakPolarHBondContact O-CB 3.34Å; L256-S288 PolarHBondContact O-OG 3.32Å; S288-H298 PolarHBondContact O-ND1 3.2Å; S288-H298 VanDerWaalsContact O-ND1 3.09Å; S288-L299 PolarHBondContact N-O 3.46Å; S288-L299 VanDerWaalsContact N-O 3.11Å; S288-L299 CarbonylContact O-C 3.53Å; S288-L299 WeakPolarHBondContact O-CA 3.28Å; S288-L299 PolarHBondContact O-N 3.39Å
289	D	93.6	Very high	92.9	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	164.5	164.9	-44.4	14	0	0	0	109	L296 V297 H298 E489 M490 V491 N492	D289-L296 HydrophobicContact CB-CD1 3.79Å; D289-L296 HydrophobicContact CB-CD2 4.1Å; D289-L296 HydrophobicContact CB-CG 3.91Å; D289-V297 CarbonylContact C-O 3.6Å; D289-V297 WeakPolarHBondContact CA-O 3.29Å; D289-V297 WeakPolarHBondContact CB-O 3.35Å; D289-H298 HydrophobicContact CB-CB 4.29Å; D289-H298 VanDerWaalsContact CG-CA 3.41Å; D289-H298 VanDerWaalsContact CG-CB 3.5Å; D289-H298 IonicContact OD1-CE1 2.82Å; D289-H298 IonicContact OD1-CG 3.69Å; D289-H298 IonicContact OD1-ND1 2.7Å; D289-H298 PolarHBondContact OD1-ND1 3.45Å; D289-H298 WeakPolarHBondContact OD2-CB 3.44Å; D289-H298 IonicContact OD2-CG 2.81Å; D289-H298 IonicContact OD2-ND1 3.44Å; D289-E489 CarbonylContact O-C 3.52Å; D289-M490 CarbonylContact C-O 3.53Å; D289-M490 VanDerWaalsContact CA-O 3.26Å; D289-M490 WeakPolarHBondContact CA-O 3.35Å; D289-M490 VanDerWaalsContact CB-C 3.5Å; D289-M490 WeakPolarHBondContact CB-O 3.49Å; D289-M490 PolarHBondContact N-O 3.07Å; D289-M490 PolarHBondContact O-N 2.98Å; D289-V491 VanDerWaalsContact OD2-CA 3.23Å; D289-V491 WeakPolarHBondContact OD2-CA 3.27Å; D289-N492 PolarHBondContact OD1-ND2 3.27Å; D289-N492 PolarHBondContact OD2-ND2 3.49Å
290	F	91.7	Very high	93.1	Very high	26 Å²	26	36.7 Å²	36.7	11%	0.114	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.2	-165.7	-170.6	-75.4	0	0	0	109.2	I228 R229 T292 V297 L299 E489	I228-F290 HydrophobicContact CG2-CB 4.29Å; I228-F290 HydrophobicContact CG2-CD1 3.68Å; I228-F290 HydrophobicContact CG2-CE1 4.13Å; I228-F290 HydrophobicContact CG2-CG 3.97Å; R229-F290 HydrophobicContact CG-CE1 4.38Å; F290-T292 HydrophobicContact CD1-CG2 3.96Å; F290-T292 HydrophobicContact CE1-CG2 4.37Å; F290-V297 PolarHBondContact N-O 2.98Å; F290-V297 PolarHBondContact O-N 2.67Å; F290-L299 HydrophobicContact CB-CD1 3.67Å; F290-L299 HydrophobicContact CB-CD2 4.39Å; F290-L299 HydrophobicContact CB-CG 3.91Å; F290-L299 HydrophobicContact CD2-CD1 3.98Å; F290-L299 HydrophobicContact CG-CD1 4.14Å; F290-E489 CarbonylContact C-O 3.57Å
291	Q	92.2	Very high	93.5	Very high	84 Å²	84	34.2 Å²	34.2	39%	0.393	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.7	178.4	-171.1	60.3	57	0	0	111.3	G295 E489	Q291-G295 PolarHBondContact NE2-O 2.93Å; Q291-E489 WeakPolarHBondContact CB-O 3.03Å; Q291-E489 PolarHBondContact N-O 3.45Å
292	T	93.2	Very high	93.8	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	170.7	172.2	70.8	0	0	0	0	110.2	I228 G232 F290 G294 G295 V297	I228-T292 HydrophobicContact CG2-CG2 4.36Å; G232-T292 WeakPolarHBondContact CA-OG1 3.24Å; F290-T292 HydrophobicContact CD1-CG2 3.96Å; F290-T292 HydrophobicContact CE1-CG2 4.37Å; T292-G294 VanDerWaalsContact C-N 3.28Å; T292-G294 PolarHBondContact O-N 3.48Å; T292-G295 WeakPolarHBondContact CA-O 3.35Å; T292-G295 WeakPolarHBondContact CB-O 3.34Å; T292-G295 PolarHBondContact N-O 3.46Å; T292-G295 PolarHBondContact O-N 2.65Å; T292-G295 VanDerWaalsContact O-N 3.08Å; T292-G295 PolarHBondContact OG1-N 2.78Å; T292-G295 PolarHBondContact OG1-O 2.92Å; T292-V297 HydrophobicContact CG2-CB 4.48Å; T292-V297 HydrophobicContact CG2-CG2 3.66Å
293	D	91.4	Very high	94.1	Very high	135 Å²	135	33.7 Å²	33.7	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.5	-179.6	-38	-59.9	0	0	0	111.4	N233 G295	N233-D293 PolarHBondContact ND2-OD2 3.31Å; N233-D293 WeakPolarHBondContact OD1-CB 3.47Å; N233-D293 PolarHBondContact OD1-N 3.48Å; N233-D293 PolarHBondContact OD1-OD2 3.37Å; D293-G295 VanDerWaalsContact C-N 3.27Å; D293-G295 PolarHBondContact O-N 3.05Å
294	G	91.6	Very high	94.2	Very high	54 Å²	54	33.4 Å²	33.4	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4	172.7	0	0	0	0	0	115.1	N233 T292	N233-G294 PolarHBondContact OD1-N 2.96Å; T292-G294 VanDerWaalsContact C-N 3.28Å; T292-G294 PolarHBondContact O-N 3.48Å
295	G	90.3	Very high	94.5	Very high	26 Å²	26	32.3 Å²	32.3	27%	0.268	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	124.3	-162.6	179.1	0	0	0	0	0	114	Q291 T292 D293	Q291-G295 PolarHBondContact NE2-O 2.93Å; T292-G295 WeakPolarHBondContact CA-O 3.35Å; T292-G295 WeakPolarHBondContact CB-O 3.34Å; T292-G295 PolarHBondContact N-O 3.46Å; T292-G295 PolarHBondContact O-N 2.65Å; T292-G295 VanDerWaalsContact O-N 3.08Å; T292-G295 PolarHBondContact OG1-N 2.78Å; T292-G295 PolarHBondContact OG1-O 2.92Å; D293-G295 VanDerWaalsContact C-N 3.27Å; D293-G295 PolarHBondContact O-N 3.05Å
296	L	93.7	Very high	94.7	Very high	61 Å²	61	35.8 Å²	35.8	32%	0.319	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.1	-177	-173.3	70.1	0	0	0	112.1	D289 M490 V491	D289-L296 HydrophobicContact CB-CD1 3.79Å; D289-L296 HydrophobicContact CB-CD2 4.1Å; D289-L296 HydrophobicContact CB-CG 3.91Å; L296-M490 HydrophobicContact CD1-CB 3.35Å; L296-V491 VanDerWaalsContact CD2-C 3.43Å; L296-V491 WeakPolarHBondContact CD2-O 3.28Å
297	V	95.6	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.1	177.9	-172	0	0	0	0	110.5	R237 V239 D289 F290 T292 L299	R237-V297 WeakPolarHBondContact O-CA 3.29Å; V239-V297 HydrophobicContact CB-CG1 4.47Å; V239-V297 HydrophobicContact CG2-CG1 3.59Å; D289-V297 CarbonylContact C-O 3.6Å; D289-V297 WeakPolarHBondContact CA-O 3.29Å; D289-V297 WeakPolarHBondContact CB-O 3.35Å; F290-V297 PolarHBondContact N-O 2.98Å; F290-V297 PolarHBondContact O-N 2.67Å; T292-V297 HydrophobicContact CG2-CB 4.48Å; T292-V297 HydrophobicContact CG2-CG2 3.66Å; V297-L299 HydrophobicContact CG1-CD2 4.08Å; V297-L299 PolarHBondContact O-N 3.05Å
298	H	97.1	Very high	95.1	Very high	20 Å²	20	36 Å²	36	9%	0.093	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.2	175.8	172.2	45	0	0	0	111.6	R237 E238 V239 S288 D289 R322 N492	R237-H298 PolarHBondContact O-N 3.3Å; E238-H298 CarbonylContact C-O 3.58Å; E238-H298 VanDerWaalsContact CA-O 3.26Å; E238-H298 WeakPolarHBondContact CA-O 3.48Å; E238-H298 HydrophobicContact CG-CB 4.21Å; E238-H298 IonicContact OE2-CD2 3.89Å; V239-H298 PolarHBondContact N-O 2.93Å; S288-H298 PolarHBondContact O-ND1 3.2Å; S288-H298 VanDerWaalsContact O-ND1 3.09Å; D289-H298 HydrophobicContact CB-CB 4.29Å; D289-H298 VanDerWaalsContact CG-CA 3.41Å; D289-H298 VanDerWaalsContact CG-CB 3.5Å; D289-H298 IonicContact OD1-CE1 2.82Å; D289-H298 IonicContact OD1-CG 3.69Å; D289-H298 IonicContact OD1-ND1 2.7Å; D289-H298 PolarHBondContact OD1-ND1 3.45Å; D289-H298 WeakPolarHBondContact OD2-CB 3.44Å; D289-H298 IonicContact OD2-CG 2.81Å; D289-H298 IonicContact OD2-ND1 3.44Å; H298-R322 PolarHBondContact CD2-NH1 3.25Å; H298-R322 PolarHBondContact NE2-NH1 3.16Å; H298-N492 PolarHBondContact CE1-ND2 2.75Å; H298-N492 PolarHBondContact ND1-ND2 3.36Å
299	L	97	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.3	179.4	-50.4	-174.2	0	0	0	111.3	I228 V239 L256 S287 S288 F290 V297	I228-L299 HydrophobicContact CD1-CD1 3.86Å; I228-L299 HydrophobicContact CD1-CD2 3.9Å; I228-L299 HydrophobicContact CG1-CD2 3.99Å; I228-L299 HydrophobicContact CG2-CD2 3.94Å; V239-L299 HydrophobicContact CB-CD2 3.81Å; V239-L299 HydrophobicContact CG2-CD2 4.2Å; V239-L299 WeakPolarHBondContact O-CA 3.39Å; L256-L299 HydrophobicContact CD2-CB 3.5Å; L256-L299 HydrophobicContact CD2-CD1 3.92Å; L256-L299 HydrophobicContact CD2-CG 4.38Å; S287-L299 WeakPolarHBondContact CA-O 3.45Å; S288-L299 PolarHBondContact N-O 3.46Å; S288-L299 VanDerWaalsContact N-O 3.11Å; S288-L299 CarbonylContact O-C 3.53Å; S288-L299 WeakPolarHBondContact O-CA 3.28Å; S288-L299 PolarHBondContact O-N 3.39Å; F290-L299 HydrophobicContact CB-CD1 3.67Å; F290-L299 HydrophobicContact CB-CD2 4.39Å; F290-L299 HydrophobicContact CB-CG 3.91Å; F290-L299 HydrophobicContact CD2-CD1 3.98Å; F290-L299 HydrophobicContact CG-CD1 4.14Å; V297-L299 HydrophobicContact CG1-CD2 4.08Å; V297-L299 PolarHBondContact O-N 3.05Å
300	A	97.4	Very high	95.6	Very high	6 Å²	6	34.7 Å²	34.7	5%	0.05	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.1	172.2	0	0	0	0	0	111.7	V239 V240 L241	V239-A300 PolarHBondContact O-N 2.92Å; V240-A300 CarbonylContact C-O 3.58Å; V240-A300 VanDerWaalsContact CA-O 3.32Å; V240-A300 WeakPolarHBondContact CA-O 3.47Å; L241-A300 PolarHBondContact N-O 3Å
301	L	97.9	Very high	95.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.6	171.3	171.3	59.9	0	0	0	109.9	L241 M243 R248 L252 L256 G285 F286	L241-L301 HydrophobicContact CB-CD1 4.05Å; M243-L301 HydrophobicContact CG-CD1 3.84Å; M243-L301 HydrophobicContact SD-CD1 4.21Å; M243-L301 HydrophobicContact SD-CD2 4.45Å; R248-L301 HydrophobicContact CG-CD2 4.21Å; L252-L301 HydrophobicContact CD2-CD2 3.79Å; L252-L301 HydrophobicContact CG-CD2 3.99Å; L256-L301 HydrophobicContact CD1-CB 3.5Å; L256-L301 HydrophobicContact CD1-CD2 3.69Å; L256-L301 HydrophobicContact CD1-CG 4.22Å; G285-L301 WeakPolarHBondContact CA-O 3.39Å; F286-L301 PolarHBondContact N-O 2.94Å; F286-L301 PolarHBondContact O-N 3.43Å
302	A	97.6	Very high	96.2	Very high	18 Å²	18	30 Å²	30	15%	0.149	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.5	140.5	178.4	0	0	0	0	0	112.2	L241 R248 V311 V315	L241-A302 PolarHBondContact O-N 2.82Å; R248-A302 PolarHBondContact NH2-O 3.44Å; A302-V311 HydrophobicContact CB-CG2 3.87Å; A302-V315 HydrophobicContact CB-CG2 3.47Å; A302-V315 VanDerWaalsContact CB-CG2 3.47Å
303	F	97.1	Very high	96.5	Very high	49 Å²	49	29.7 Å²	29.7	22%	0.215	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.9	145.9	168.7	-65.5	-102.6	0	0	0	110.2	H283 M284 W649 R651	H283-F303 WeakPolarHBondContact O-CA 3.26Å; M284-F303 HydrophobicContact CB-CE1 4.36Å; M284-F303 HydrophobicContact SD-CD1 4.17Å; M284-F303 HydrophobicContact SD-CE1 3.83Å; F303-W649 HydrophobicContact CB-CD2 3.73Å; F303-W649 HydrophobicContact CB-CE3 3.86Å; F303-W649 HydrophobicContact CB-CG 4.05Å; F303-W649 HydrophobicContact CB-CZ3 4.35Å; F303-W649 HydrophobicContact CD1-CB 3.46Å; F303-W649 VanDerWaalsContact CD1-CB 3.46Å; F303-W649 AromaticContact CD1-CD1 3.67Å; F303-W649 HydrophobicContact CD1-CD2 4.07Å; F303-W649 AromaticContact CD1-CG 3.44Å; F303-W649 HydrophobicContact CD1-CG 3.44Å; F303-W649 VanDerWaalsContact CD1-CG 3.44Å; F303-W649 HydrophobicContact CE1-CB 3.76Å; F303-W649 HydrophobicContact CE1-CG 4.18Å; F303-W649 HydrophobicContact CG-CB 4.06Å; F303-W649 HydrophobicContact CG-CD2 4.21Å; F303-W649 HydrophobicContact CG-CG 4.01Å; F303-R651 HydrophobicContact CD2-CG 3.87Å; F303-R651 HydrophobicContact CE2-CG 4.06Å; F303-R651 HydrophobicContact CG-CG 4.22Å
304	N	97.5	Very high	96.8	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	15%	0.15	C	C	.	.			trans	-143.6	148.4	179.7	68.8	-76.9	0	0	0	111.5	R248 H283 V311 W649	R248-N304 PolarHBondContact NH1-OD1 2.8Å; R248-N304 PolarHBondContact NH2-OD1 2.93Å; H283-N304 WeakPolarHBondContact CA-O 3.49Å; H283-N304 WeakPolarHBondContact CB-O 3.45Å; H283-N304 PolarHBondContact CD2-O 2.81Å; H283-N304 PolarHBondContact O-N 2.7Å; N304-V311 HydrophobicContact CB-CB 3.95Å; N304-V311 HydrophobicContact CB-CG1 4.33Å; N304-V311 HydrophobicContact CB-CG2 3.99Å; N304-W649 VanDerWaalsContact C-CZ2 3.48Å
305	P	97.4	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	12%	0.123	C	C	.	.			trans	-78.3	-179	165.2	36.5	-37.4	0	0	0	111.2	H307 I310 Q640 F641 W649	P305-H307 HydrophobicContact CG-CB 4.12Å; P305-H307 PolarHBondContact O-N 2.84Å; P305-I310 HydrophobicContact CG-CG2 4.26Å; P305-Q640 HydrophobicContact CB-CB 3.77Å; P305-Q640 HydrophobicContact CB-CG 4.16Å; P305-Q640 HydrophobicContact CG-CB 3.82Å; P305-Q640 HydrophobicContact CG-CG 4.45Å; P305-F641 HydrophobicContact CG-CD2 4.44Å; P305-F641 HydrophobicContact CG-CE2 3.7Å; P305-F641 HydrophobicContact CG-CZ 3.87Å; P305-W649 HydrophobicContact CB-CZ2 4.45Å
306	S	96.9	Very high	97.5	Very high	81 Å²	81	20.3 Å²	20.3	57%	0.566	11%	0.113	S	C	*	.	S	Bend	trans	-67.9	-14.1	172	-49.6	0	0	0	0	114.3	H283 L308	H283-S306 PolarHBondContact CE1-N 2.83Å; H283-S306 PolarHBondContact CE1-OG 3.43Å; H283-S306 PolarHBondContact NE2-N 3.41Å; H283-S306 PolarHBondContact NE2-OG 3.31Å; S306-L308 PolarHBondContact O-N 2.79Å
307	H	98.1	Very high	97.7	Very high	87 Å²	87	17.4 Å²	17.4	40%	0.403	10%	0.097	S	C	.	.	S	Bend	trans	-67.4	126	172.9	-66	69.8	0	0	0	108.3	P305 I310 V636	P305-H307 HydrophobicContact CG-CB 4.12Å; P305-H307 PolarHBondContact O-N 2.84Å; H307-I310 HydrophobicContact CB-CG2 3.98Å; H307-I310 WeakPolarHBondContact O-CG2 3.46Å; H307-V636 HydrophobicContact CB-CG1 3.79Å
308	L	96.8	Very high	97.9	Very high	52 Å²	52	18.2 Å²	18.2	27%	0.272	10%	0.103	S	C	.	.	S	Bend	trans	-81	161.9	-174.7	-57.4	-177.9	0	0	0	110.8	A244 S306 I310 A344	A244-L308 HydrophobicContact CB-CD2 3.98Å; S306-L308 PolarHBondContact O-N 2.79Å; L308-I310 PolarHBondContact O-N 2.81Å; L308-A344 HydrophobicContact CB-CB 4.09Å; L308-A344 HydrophobicContact CD1-CB 3.7Å
309	E	98.4	Very high	97.9	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.037	10%	0.098	C	C	.	.	S	Bend	trans	63.3	-32.7	174.3	-49.8	-47.7	135.7	0	0	117.9	V311 S312 H340 A344 Q348 V350 V351	E309-V311 PolarHBondContact O-N 2.96Å; E309-S312 WeakPolarHBondContact O-CB 3.38Å; E309-S312 PolarHBondContact O-N 2.99Å; E309-S312 PolarHBondContact O-OG 3.12Å; E309-H340 IonicContact OE2-CE1 2.73Å; E309-H340 IonicContact OE2-CG 3.62Å; E309-H340 IonicContact OE2-ND1 2.69Å; E309-H340 PolarHBondContact OE2-ND1 2.72Å; E309-A344 HydrophobicContact CG-CB 3.94Å; E309-A344 WeakPolarHBondContact OE1-CB 2.88Å; E309-Q348 HydrophobicContact CB-CB 4.01Å; E309-Q348 HydrophobicContact CB-CG 4.31Å; E309-Q348 HydrophobicContact CG-CB 3.89Å; E309-Q348 HydrophobicContact CG-CG 3.89Å; E309-V350 HydrophobicContact CB-CG1 3.74Å; E309-V351 HydrophobicContact CB-CG2 3.7Å; E309-V351 HydrophobicContact CG-CG2 3.78Å
310	I	98.6	Very high	98	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.015	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.6	-178.7	-169.7	57.6	0	0	0	114.6	P305 H307 L308 S312 P313 V350 E603 A607 V636 V637 F641	P305-I310 HydrophobicContact CG-CG2 4.26Å; H307-I310 HydrophobicContact CB-CG2 3.98Å; H307-I310 WeakPolarHBondContact O-CG2 3.46Å; L308-I310 PolarHBondContact O-N 2.81Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 2.61Å; I310-P313 HydrophobicContact CD1-CG 4.49Å; I310-P313 WeakPolarHBondContact O-CD 3.32Å; I310-P313 WeakPolarHBondContact O-CG 3.49Å; I310-V350 HydrophobicContact CD1-CG2 3.79Å; I310-E603 HydrophobicContact CD1-CG 3.53Å; I310-A607 HydrophobicContact CD1-CB 4Å; I310-V636 HydrophobicContact CG1-CG1 4.16Å; I310-V636 HydrophobicContact CG2-CG1 4.3Å; I310-V637 HydrophobicContact CD1-CG2 3.89Å; I310-V637 HydrophobicContact CG1-CG2 4.36Å; I310-F641 HydrophobicContact CB-CE2 4.49Å; I310-F641 HydrophobicContact CG1-CE2 3.91Å; I310-F641 HydrophobicContact CG2-CE2 3.82Å; I310-F641 HydrophobicContact CG2-CZ 4.04Å
311	V	98.3	Very high	97.9	Very high	8 Å²	8	18.2 Å²	18.2	5%	0.048	10%	0.101	C	C	.	.	H	α-helix	trans	-72.9	-18.6	171.7	70.1	0	0	0	0	113.2	A302 N304 E309 V314 V315	A302-V311 HydrophobicContact CB-CG2 3.87Å; N304-V311 HydrophobicContact CB-CB 3.95Å; N304-V311 HydrophobicContact CB-CG1 4.33Å; N304-V311 HydrophobicContact CB-CG2 3.99Å; E309-V311 PolarHBondContact O-N 2.96Å; V311-V314 WeakPolarHBondContact O-CB 3.38Å; V311-V314 PolarHBondContact O-N 3.36Å; V311-V315 HydrophobicContact CG2-CG2 4.12Å; V311-V315 VanDerWaalsContact O-CG2 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.23Å; V311-V315 PolarHBondContact O-N 3.33Å
312	S	98.4	Very high	97.9	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-52.8	179.9	-56.3	0	0	0	0	113.3	E309 I310 V314 V315 I316 H340	E309-S312 WeakPolarHBondContact O-CB 3.38Å; E309-S312 PolarHBondContact O-N 2.99Å; E309-S312 PolarHBondContact O-OG 3.12Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 2.61Å; S312-V314 VanDerWaalsContact C-N 3.34Å; S312-V314 PolarHBondContact O-N 2.84Å; S312-V315 PolarHBondContact O-N 3.41Å; S312-I316 WeakPolarHBondContact O-CG1 3.28Å; S312-I316 PolarHBondContact O-N 3.22Å; S312-I316 VanDerWaalsContact O-N 3.15Å; S312-H340 PolarHBondContact OG-CE1 2.99Å
313	P	98.7	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-35.9	174.2	22.3	-32.1	0	0	0	112.9	I310 V315 I316 G317 V350 T354 A604 A607 F608	I310-P313 HydrophobicContact CD1-CG 4.49Å; I310-P313 WeakPolarHBondContact O-CD 3.32Å; I310-P313 WeakPolarHBondContact O-CG 3.49Å; P313-V315 VanDerWaalsContact C-N 3.28Å; P313-V315 PolarHBondContact O-N 3.49Å; P313-I316 PolarHBondContact O-N 3.26Å; P313-G317 PolarHBondContact O-N 3.13Å; P313-V350 HydrophobicContact CG-CG2 3.83Å; P313-T354 WeakPolarHBondContact CD-OG1 3.41Å; P313-A604 HydrophobicContact CB-CB 4.18Å; P313-A604 VanDerWaalsContact CB-O 3.3Å; P313-A604 WeakPolarHBondContact CB-O 3.42Å; P313-A604 HydrophobicContact CG-CB 4.32Å; P313-A607 HydrophobicContact CB-CB 3.9Å; P313-A607 HydrophobicContact CG-CB 3.53Å; P313-F608 WeakPolarHBondContact O-CA 3.1Å
314	V	98.7	Very high	97.6	Very high	10 Å²	10	17.8 Å²	17.8	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-41.9	174.3	178.7	0	0	0	0	111.6	V311 S312 S318 A607 Y610 G611 F641	V311-V314 WeakPolarHBondContact O-CB 3.38Å; V311-V314 PolarHBondContact O-N 3.36Å; S312-V314 VanDerWaalsContact C-N 3.34Å; S312-V314 PolarHBondContact O-N 2.84Å; V314-S318 WeakPolarHBondContact O-CB 3.1Å; V314-S318 PolarHBondContact O-N 3.21Å; V314-A607 WeakPolarHBondContact CA-O 3.16Å; V314-A607 HydrophobicContact CG2-CB 3.98Å; V314-A607 WeakPolarHBondContact CG2-O 3.33Å; V314-Y610 HydrophobicContact CG1-CD1 3.87Å; V314-Y610 HydrophobicContact CG1-CE1 4Å; V314-Y610 HydrophobicContact CG2-CD1 4.12Å; V314-G611 WeakPolarHBondContact O-CA 3.04Å; V314-F641 HydrophobicContact CG2-CD1 4.34Å; V314-F641 HydrophobicContact CG2-CE1 3.91Å; V314-F641 HydrophobicContact CG2-CZ 4.1Å
315	V	98.4	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.8	-40	178.8	164.6	0	0	0	0	111.8	V240 G242 A302 V311 S312 P313 S318 V319 P336 T338	V240-V315 HydrophobicContact CB-CG1 4.33Å; V240-V315 HydrophobicContact CG1-CG1 4Å; G242-V315 VanDerWaalsContact CA-CG2 3.49Å; A302-V315 HydrophobicContact CB-CG2 3.47Å; A302-V315 VanDerWaalsContact CB-CG2 3.47Å; V311-V315 HydrophobicContact CG2-CG2 4.12Å; V311-V315 VanDerWaalsContact O-CG2 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.23Å; V311-V315 PolarHBondContact O-N 3.33Å; S312-V315 PolarHBondContact O-N 3.41Å; P313-V315 VanDerWaalsContact C-N 3.28Å; P313-V315 PolarHBondContact O-N 3.49Å; V315-S318 WeakPolarHBondContact O-CB 3.48Å; V315-S318 PolarHBondContact O-N 3.28Å; V315-V319 WeakPolarHBondContact O-CG2 3.38Å; V315-V319 PolarHBondContact O-N 2.72Å; V315-P336 HydrophobicContact CG1-CB 4.41Å; V315-T338 HydrophobicContact CG1-CG2 4.26Å
316	I	98.5	Very high	97.1	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.046	11%	0.114	C	C	.	.	H	α-helix	trans	-69.2	-38.7	178.4	-63.6	164.3	0	0	0	110.4	S312 P313 V319 R320 T354 V365 F608	S312-I316 WeakPolarHBondContact O-CG1 3.28Å; S312-I316 PolarHBondContact O-N 3.22Å; S312-I316 VanDerWaalsContact O-N 3.15Å; P313-I316 PolarHBondContact O-N 3.26Å; I316-V319 PolarHBondContact O-N 2.79Å; I316-R320 PolarHBondContact O-N 2.81Å; I316-T354 HydrophobicContact CD1-CG2 3.38Å; I316-V365 HydrophobicContact CG2-CB 4.49Å; I316-V365 HydrophobicContact CG2-CG1 3.74Å; I316-V365 HydrophobicContact CG2-CG2 3.9Å; I316-F608 HydrophobicContact CB-CD2 4.43Å; I316-F608 HydrophobicContact CB-CE2 4.46Å; I316-F608 HydrophobicContact CG2-CD2 4.13Å; I316-F608 HydrophobicContact CG2-CE2 3.76Å
317	G	98.4	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-42.9	170.9	0	0	0	0	0	113.2	P313 V319 R320 A321 F608 Y612	P313-G317 PolarHBondContact O-N 3.13Å; G317-V319 PolarHBondContact O-N 3.46Å; G317-R320 PolarHBondContact O-N 3.33Å; G317-A321 PolarHBondContact O-N 3.47Å; G317-F608 WeakPolarHBondContact CA-O 3.31Å; G317-Y612 WeakPolarHBondContact O-CA 3.45Å
318	S	98.3	Very high	95.5	Very high	16 Å²	16	28.8 Å²	28.8	11%	0.112	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-40.8	173	174.2	0	0	0	0	112.5	V314 V315 R322 G611	V314-S318 WeakPolarHBondContact O-CB 3.1Å; V314-S318 PolarHBondContact O-N 3.21Å; V315-S318 WeakPolarHBondContact O-CB 3.48Å; V315-S318 PolarHBondContact O-N 3.28Å; S318-R322 VanDerWaalsContact O-CG 3.3Å; S318-R322 WeakPolarHBondContact O-CG 3.19Å; S318-R322 PolarHBondContact O-N 2.97Å; S318-R322 VanDerWaalsContact O-N 3.08Å; S318-G611 WeakPolarHBondContact CA-O 3.41Å
319	V	98.1	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-41.1	172.6	166	0	0	0	0	111.8	V240 V315 I316 G317 A321 R322 L323 V334 P336 V365	V240-V319 HydrophobicContact CB-CG2 3.62Å; V240-V319 HydrophobicContact CG1-CG2 4.49Å; V240-V319 HydrophobicContact CG2-CG2 3.59Å; V315-V319 WeakPolarHBondContact O-CG2 3.38Å; V315-V319 PolarHBondContact O-N 2.72Å; I316-V319 PolarHBondContact O-N 2.79Å; G317-V319 PolarHBondContact O-N 3.46Å; V319-A321 VanDerWaalsContact C-N 3.34Å; V319-A321 PolarHBondContact O-N 2.77Å; V319-R322 PolarHBondContact O-N 3.24Å; V319-L323 HydrophobicContact CG1-CD1 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.25Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 2.73Å; V319-V334 HydrophobicContact CB-CG1 4.14Å; V319-V334 HydrophobicContact CG1-CB 4.13Å; V319-V334 HydrophobicContact CG1-CG1 3.65Å; V319-V334 HydrophobicContact CG2-CG1 3.84Å; V319-P336 HydrophobicContact CB-CB 4.32Å; V319-P336 HydrophobicContact CB-CG 4.37Å; V319-P336 HydrophobicContact CG1-CB 4.47Å; V319-P336 HydrophobicContact CG1-CG 4.01Å; V319-P336 HydrophobicContact CG2-CB 3.78Å; V319-P336 HydrophobicContact CG2-CG 4.21Å; V319-V365 HydrophobicContact CB-CG1 4.3Å; V319-V365 HydrophobicContact CG1-CB 3.91Å; V319-V365 HydrophobicContact CG1-CG1 3.8Å
320	R	97.7	Very high	94	Very high	25 Å²	25	32.4 Å²	32.4	9%	0.094	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-41.7	177.2	-173.2	64.6	-177.4	-107.5	-11	111.4	I316 G317 R322 L323 D324 R361 E364 V365 F608 Y612	I316-R320 PolarHBondContact O-N 2.81Å; G317-R320 PolarHBondContact O-N 3.33Å; R320-R322 VanDerWaalsContact C-N 3.34Å; R320-R322 PolarHBondContact O-N 2.67Å; R320-L323 PolarHBondContact O-N 3.35Å; R320-D324 WeakPolarHBondContact CD-OD1 3.33Å; R320-D324 IonicContact CZ-OD1 2.69Å; R320-D324 IonicContact NE-OD1 2.33Å; R320-D324 PolarHBondContact NE-OD1 2.75Å; R320-D324 IonicContact NH2-OD1 2.71Å; R320-D324 VanDerWaalsContact O-CB 3.24Å; R320-D324 WeakPolarHBondContact O-CB 3.45Å; R320-D324 PolarHBondContact O-N 3.26Å; R320-R361 PolarHBondContact NH1-O 3.36Å; R320-R361 PolarHBondContact NH2-O 2.68Å; R320-E364 PolarHBondContact NH1-O 2.75Å; R320-V365 HydrophobicContact CB-CG1 4.07Å; R320-F608 HydrophobicContact CB-CE1 4.15Å; R320-F608 HydrophobicContact CB-CE2 4.35Å; R320-F608 HydrophobicContact CB-CZ 3.51Å; R320-F608 HydrophobicContact CG-CE1 4.37Å; R320-F608 HydrophobicContact CG-CZ 3.83Å; R320-Y612 HydrophobicContact CB-CD2 4.26Å; R320-Y612 HydrophobicContact CG-CD2 4.28Å; R320-Y612 HydrophobicContact CG-CE2 4.15Å
321	A	97.1	Very high	93.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-41.4	172.7	0	0	0	0	0	112.8	G317 V319 R325 Y612 A615 E616	G317-A321 PolarHBondContact O-N 3.47Å; V319-A321 VanDerWaalsContact C-N 3.34Å; V319-A321 PolarHBondContact O-N 2.77Å; A321-R325 VanDerWaalsContact O-CB 3.31Å; A321-R325 WeakPolarHBondContact O-CB 3.25Å; A321-R325 PolarHBondContact O-N 3.28Å; A321-R325 VanDerWaalsContact O-N 3.15Å; A321-Y612 HydrophobicContact CB-CD1 3.99Å; A321-Y612 HydrophobicContact CB-CD2 3.75Å; A321-Y612 HydrophobicContact CB-CE1 4.1Å; A321-Y612 HydrophobicContact CB-CE2 3.93Å; A321-Y612 HydrophobicContact CB-CG 3.78Å; A321-A615 HydrophobicContact CB-CB 3.85Å; A321-E616 HydrophobicContact CB-CB 3.88Å
322	R	96.5	Very high	93.5	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-35.5	175.6	-69.6	165.2	-176.2	-113.3	4	112.8	E238 H298 S318 V319 R320 V334	E238-R322 VanDerWaalsContact OE2-CD 3.3Å; E238-R322 WeakPolarHBondContact OE2-CD 3.39Å; E238-R322 IonicContact OE2-CZ 2.8Å; E238-R322 IonicContact OE2-NE 3.62Å; E238-R322 IonicContact OE2-NH1 3.78Å; E238-R322 PolarHBondContact OE2-NH1 3.35Å; H298-R322 PolarHBondContact CD2-NH1 3.25Å; H298-R322 PolarHBondContact NE2-NH1 3.16Å; S318-R322 VanDerWaalsContact O-CG 3.3Å; S318-R322 WeakPolarHBondContact O-CG 3.19Å; S318-R322 PolarHBondContact O-N 2.97Å; S318-R322 VanDerWaalsContact O-N 3.08Å; V319-R322 PolarHBondContact O-N 3.24Å; R320-R322 VanDerWaalsContact C-N 3.34Å; R320-R322 PolarHBondContact O-N 2.67Å; R322-V334 HydrophobicContact CB-CG1 4.12Å; R322-V334 HydrophobicContact CB-CG2 4.08Å
323	L	95.8	Very high	93.3	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-47.5	173.5	-73.2	169.8	0	0	0	111.8	V319 R320 R325 L326 S330 V334 V365	V319-L323 HydrophobicContact CG1-CD1 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.25Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 2.73Å; R320-L323 PolarHBondContact O-N 3.35Å; L323-R325 PolarHBondContact O-N 2.97Å; L323-R325 VanDerWaalsContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.47Å; L323-S330 WeakPolarHBondContact CD2-O 3.34Å; L323-V334 HydrophobicContact CD2-CB 3.78Å; L323-V334 HydrophobicContact CD2-CG2 3.74Å; L323-V334 HydrophobicContact CG-CB 3.97Å; L323-V334 HydrophobicContact CG-CG2 4.06Å; L323-V365 HydrophobicContact CD1-CB 4.1Å; L323-V365 HydrophobicContact CD1-CG1 4.23Å
324	D	94	Very high	93.3	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.144	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-12.8	179.1	-88.3	37.1	0	0	0	113	R320 R594 Y612	R320-D324 WeakPolarHBondContact CD-OD1 3.33Å; R320-D324 IonicContact CZ-OD1 2.69Å; R320-D324 IonicContact NE-OD1 2.33Å; R320-D324 PolarHBondContact NE-OD1 2.75Å; R320-D324 IonicContact NH2-OD1 2.71Å; R320-D324 VanDerWaalsContact O-CB 3.24Å; R320-D324 WeakPolarHBondContact O-CB 3.45Å; R320-D324 PolarHBondContact O-N 3.26Å; D324-R594 PolarHBondContact O-NH1 2.82Å; D324-R594 WeakPolarHBondContact OD2-CD 3.17Å; D324-R594 IonicContact OD2-CZ 3.36Å; D324-R594 IonicContact OD2-NE 3.91Å; D324-R594 IonicContact OD2-NH1 2.83Å; D324-R594 PolarHBondContact OD2-NH1 2.96Å; D324-Y612 HydrophobicContact CB-CE2 4.27Å; D324-Y612 WeakPolarHBondContact CB-OH 3.1Å; D324-Y612 PolarHBondContact OD2-OH 2.82Å
325	R	92	Very high	93.2	Very high	81 Å²	81	36 Å²	36	31%	0.306	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.9	172.5	175.9	178.6	76.1	-176.9	3.4	114.2	E238 A321 L323 E616	E238-R325 IonicContact OE1-CZ 3.44Å; E238-R325 IonicContact OE1-NH2 2.72Å; E238-R325 PolarHBondContact OE1-NH2 3.05Å; E238-R325 IonicContact OE2-NH2 3.67Å; E238-R325 PolarHBondContact OE2-NH2 3.47Å; A321-R325 VanDerWaalsContact O-CB 3.31Å; A321-R325 WeakPolarHBondContact O-CB 3.25Å; A321-R325 PolarHBondContact O-N 3.28Å; A321-R325 VanDerWaalsContact O-N 3.15Å; L323-R325 PolarHBondContact O-N 2.97Å; L323-R325 VanDerWaalsContact O-N 3.12Å; R325-E616 WeakPolarHBondContact CD-OE2 3.33Å
326	L	90.9	Very high	93.2	Very high	20 Å²	20	36 Å²	36	11%	0.105	19%	0.188	C	C	.	.	S	Bend	trans	-87.7	136	179.3	-64	173.5	0	0	0	110.9	L323 E328 K333 V334	L323-L326 PolarHBondContact O-N 3.47Å; L326-E328 PolarHBondContact O-N 3.38Å; L326-K333 HydrophobicContact CD1-CB 3.65Å; L326-K333 HydrophobicContact CD1-CD 4.06Å; L326-K333 HydrophobicContact CD1-CG 4.5Å; L326-V334 HydrophobicContact CD1-CG2 4.03Å
327	D	80.9	Confident	93.2	Very high	166 Å²	166	35.6 Å²	35.6	89%	0.888	19%	0.186	S	C	*	.	S	Bend	trans	-58.5	-36.3	179.5	-41.8	-77.9	0	0	0	112.2	P329	D327-P329 WeakPolarHBondContact O-CD 3.5Å
328	E	81.5	Confident	93.2	Very high	138 Å²	138	35.6 Å²	35.6	65%	0.645	19%	0.186	S	C	*	.	S	Bend	trans	-115.1	93.8	171.6	-76.6	-175.5	163.1	0	0	109.6	L326 S330 K333	L326-E328 PolarHBondContact O-N 3.38Å; E328-S330 PolarHBondContact O-N 2.73Å; E328-K333 PolarHBondContact O-NZ 3.44Å; E328-K333 VanDerWaalsContact O-NZ 3.17Å; E328-K333 IonicContact OE2-NZ 3.45Å; E328-K333 PolarHBondContact OE2-NZ 2.91Å
329	P	74	Confident	93.3	Very high	86 Å²	86	35.1 Å²	35.1	56%	0.558	18%	0.182	S	C	*	.			trans	-76.3	67.5	-176.8	31.6	-36.8	0	0	0	112.3	D327	D327-P329 WeakPolarHBondContact O-CD 3.5Å
330	S	89.5	Confident	93.3	Very high	50 Å²	50	35.2 Å²	35.2	35%	0.35	18%	0.182	S	C	.	.			trans	-78.3	122.3	165.8	174.7	0	0	0	0	109.6	L323 E328 N332 K333	L323-S330 WeakPolarHBondContact CD2-O 3.34Å; E328-S330 PolarHBondContact O-N 2.73Å; S330-N332 PolarHBondContact O-N 2.85Å; S330-K333 WeakPolarHBondContact O-CB 3.29Å; S330-K333 PolarHBondContact O-N 3.43Å
331	S	91.7	Very high	93.3	Very high	24 Å²	24	34.9 Å²	34.9	17%	0.168	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.2	178.6	45.3	0	0	0	0	114.2	K333 V365 R426	S331-K333 VanDerWaalsContact C-N 3.29Å; S331-K333 PolarHBondContact O-N 3.33Å; S331-V365 WeakPolarHBondContact CB-O 3.36Å; S331-R426 VanDerWaalsContact O-CZ 3.29Å; S331-R426 PolarHBondContact O-NH1 3.25Å; S331-R426 PolarHBondContact O-NH2 2.75Å
332	N	94.3	Very high	93.2	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.171	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-72.7	-21.4	172.8	-70.8	18.8	0	0	0	112.8	T236 S330 V334 N427 K430	T236-N332 VanDerWaalsContact CA-O 3.27Å; T236-N332 WeakPolarHBondContact CA-O 3.34Å; T236-N332 WeakPolarHBondContact CB-O 3.46Å; T236-N332 PolarHBondContact OG1-O 3.41Å; S330-N332 PolarHBondContact O-N 2.85Å; N332-V334 VanDerWaalsContact C-N 3.32Å; N332-V334 PolarHBondContact O-N 3.46Å; N332-N427 PolarHBondContact ND2-O 3.43Å; N332-N427 PolarHBondContact OD1-O 2.95Å; N332-N427 PolarHBondContact OD1-OD1 3.26Å; N332-K430 PolarHBondContact ND2-NZ 2.73Å; N332-K430 PolarHBondContact OD1-NZ 2.93Å
333	K	95.6	Very high	93.2	Very high	46 Å²	46	35.4 Å²	35.4	20%	0.2	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-73.3	-21.7	-178.3	-66.2	177.5	-176.3	173.7	0	113	R237 E238 L326 E328 S330 S331	R237-K333 PolarHBondContact N-O 3.22Å; E238-K333 PolarHBondContact N-O 3.49Å; L326-K333 HydrophobicContact CD1-CB 3.65Å; L326-K333 HydrophobicContact CD1-CD 4.06Å; L326-K333 HydrophobicContact CD1-CG 4.5Å; E328-K333 PolarHBondContact O-NZ 3.44Å; E328-K333 VanDerWaalsContact O-NZ 3.17Å; E328-K333 IonicContact OE2-NZ 3.45Å; E328-K333 PolarHBondContact OE2-NZ 2.91Å; S330-K333 WeakPolarHBondContact O-CB 3.29Å; S330-K333 PolarHBondContact O-N 3.43Å; S331-K333 VanDerWaalsContact C-N 3.29Å; S331-K333 PolarHBondContact O-N 3.33Å
334	V	97.1	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.7	174.2	-171.1	0	0	0	0	110.6	E238 V319 R322 L323 L326 N332 R426	E238-V334 HydrophobicContact CB-CG1 4.07Å; E238-V334 HydrophobicContact CB-CG2 4.22Å; E238-V334 CarbonylContact O-C 3.55Å; E238-V334 VanDerWaalsContact O-CA 3.29Å; E238-V334 WeakPolarHBondContact O-CA 3.41Å; V319-V334 HydrophobicContact CB-CG1 4.14Å; V319-V334 HydrophobicContact CG1-CB 4.13Å; V319-V334 HydrophobicContact CG1-CG1 3.65Å; V319-V334 HydrophobicContact CG2-CG1 3.84Å; R322-V334 HydrophobicContact CB-CG1 4.12Å; R322-V334 HydrophobicContact CB-CG2 4.08Å; L323-V334 HydrophobicContact CD2-CB 3.78Å; L323-V334 HydrophobicContact CD2-CG2 3.74Å; L323-V334 HydrophobicContact CG-CB 3.97Å; L323-V334 HydrophobicContact CG-CG2 4.06Å; L326-V334 HydrophobicContact CD1-CG2 4.03Å; N332-V334 VanDerWaalsContact C-N 3.32Å; N332-V334 PolarHBondContact O-N 3.46Å; V334-R426 PolarHBondContact O-NH2 3.34Å
335	L	98	Very high	93.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.4	-177.5	178.9	66.9	0	0	0	111.5	M227 A231 T236 E238 V239 V240 I337 V369 L423	M227-L335 HydrophobicContact CG-CD2 4.31Å; M227-L335 HydrophobicContact SD-CD2 4.42Å; A231-L335 HydrophobicContact CB-CD2 3.98Å; T236-L335 HydrophobicContact CG2-CB 3.89Å; E238-L335 PolarHBondContact O-N 2.93Å; V239-L335 WeakPolarHBondContact CA-O 3.16Å; V239-L335 HydrophobicContact CG1-CD2 4.45Å; V239-L335 HydrophobicContact CG2-CB 4.24Å; V239-L335 HydrophobicContact CG2-CD2 4.39Å; V240-L335 PolarHBondContact N-O 3.24Å; L335-I337 HydrophobicContact CD2-CD1 4.2Å; L335-I337 HydrophobicContact CD2-CG1 4.13Å; L335-I337 HydrophobicContact CG-CG1 4.13Å; L335-V369 HydrophobicContact CD1-CG2 4.07Å; L335-L423 HydrophobicContact CD1-CD1 3.71Å; L335-L423 HydrophobicContact CD2-CD1 3.81Å; L335-L423 HydrophobicContact CD2-CD2 4.38Å; L335-L423 HydrophobicContact CG-CD1 4.43Å
336	P	98.4	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.6	165.1	19.8	-7.8	0	0	0	110.6	V315 V319 V365 T368 V369	V315-P336 HydrophobicContact CG1-CB 4.41Å; V319-P336 HydrophobicContact CB-CB 4.32Å; V319-P336 HydrophobicContact CB-CG 4.37Å; V319-P336 HydrophobicContact CG1-CB 4.47Å; V319-P336 HydrophobicContact CG1-CG 4.01Å; V319-P336 HydrophobicContact CG2-CB 3.78Å; V319-P336 HydrophobicContact CG2-CG 4.21Å; P336-V365 HydrophobicContact CG-CB 4.27Å; P336-V365 HydrophobicContact CG-CG2 3.61Å; P336-T368 HydrophobicContact CB-CG2 4.05Å; P336-T368 HydrophobicContact CG-CG2 4.38Å; P336-V369 PolarHBondContact O-N 2.95Å; P336-V369 VanDerWaalsContact O-N 3.15Å
337	I	98.5	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.8	169.4	-55.9	174.6	0	0	0	107.9	L224 M227 V239 V240 L241 G242 L335 I339 V369 I371	L224-I337 HydrophobicContact CD2-CD1 4.38Å; L224-I337 HydrophobicContact CD2-CG2 4.05Å; M227-I337 HydrophobicContact CG-CD1 4.3Å; M227-I337 HydrophobicContact SD-CD1 3.52Å; M227-I337 VanDerWaalsContact SD-CD1 3.52Å; M227-I337 HydrophobicContact SD-CG1 3.82Å; V239-I337 HydrophobicContact CG1-CD1 3.46Å; V239-I337 VanDerWaalsContact CG1-CD1 3.46Å; V239-I337 HydrophobicContact CG1-CG1 3.99Å; V240-I337 PolarHBondContact O-N 2.98Å; L241-I337 CarbonylContact C-O 3.59Å; L241-I337 WeakPolarHBondContact CA-O 3.18Å; L241-I337 HydrophobicContact CG-CB 4.4Å; G242-I337 PolarHBondContact N-O 3.28Å; L335-I337 HydrophobicContact CD2-CD1 4.2Å; L335-I337 HydrophobicContact CD2-CG1 4.13Å; L335-I337 HydrophobicContact CG-CG1 4.13Å; I337-I339 HydrophobicContact CG2-CG1 4.18Å; I337-V369 WeakPolarHBondContact CA-O 3.29Å; I337-I371 HydrophobicContact CG2-CD1 3.8Å
338	T	98.6	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.1	173.2	58.1	0	0	0	0	110.7	G242 V315 H340 T368 V369 R370 I371	G242-T338 CarbonylContact O-C 3.14Å; G242-T338 WeakPolarHBondContact O-CA 3.42Å; V315-T338 HydrophobicContact CG1-CG2 4.26Å; T338-H340 WeakPolarHBondContact CB-NE2 3.36Å; T338-H340 PolarHBondContact O-CD2 2.65Å; T338-H340 PolarHBondContact O-NE2 2.77Å; T338-H340 PolarHBondContact OG1-CE1 3.34Å; T338-H340 VanDerWaalsContact OG1-CE1 3.23Å; T338-H340 PolarHBondContact OG1-NE2 2.88Å; T338-T368 HydrophobicContact CG2-CG2 4.08Å; T338-V369 PolarHBondContact N-O 2.93Å; T338-V369 VanDerWaalsContact N-O 3.13Å; T338-R370 CarbonylContact O-C 3.59Å; T338-R370 WeakPolarHBondContact O-CA 3.49Å; T338-R370 PolarHBondContact OG1-NH1 3.32Å; T338-R370 VanDerWaalsContact OG1-NH1 3.09Å; T338-I371 PolarHBondContact O-N 2.81Å
339	I	98.6	Very high	95.5	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.9	-172.5	-46.9	177.1	0	0	0	109.5	L220 L224 G242 M243 A244 I337 I371 I373	L220-I339 HydrophobicContact CD1-CD1 4.44Å; L220-I339 HydrophobicContact CD1-CG2 4.31Å; L220-I339 HydrophobicContact CD2-CG2 4.45Å; L224-I339 HydrophobicContact CD1-CD1 3.84Å; L224-I339 HydrophobicContact CD2-CD1 3.92Å; L224-I339 HydrophobicContact CG-CD1 4.45Å; G242-I339 PolarHBondContact O-N 3.45Å; M243-I339 WeakPolarHBondContact CA-O 3.24Å; M243-I339 HydrophobicContact CB-CB 3.68Å; M243-I339 HydrophobicContact CB-CD1 4.05Å; M243-I339 HydrophobicContact CB-CG1 4.18Å; M243-I339 HydrophobicContact CB-CG2 4.42Å; M243-I339 HydrophobicContact CE-CD1 4.41Å; M243-I339 HydrophobicContact SD-CD1 4.37Å; A244-I339 PolarHBondContact N-O 2.85Å; I337-I339 HydrophobicContact CG2-CG1 4.18Å; I339-I371 CarbonylContact C-O 3.59Å; I339-I371 VanDerWaalsContact CA-O 3.28Å; I339-I371 WeakPolarHBondContact CA-O 3.41Å; I339-I371 HydrophobicContact CG1-CB 4.49Å; I339-I371 HydrophobicContact CG1-CD1 4.37Å; I339-I371 HydrophobicContact CG2-CB 4.47Å; I339-I371 HydrophobicContact CG2-CG2 4.48Å; I339-I373 HydrophobicContact CG2-CD1 3.61Å; I339-I373 HydrophobicContact CG2-CG1 3.69Å
340	H	98.5	Very high	96.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	161.4	-165.5	-47.4	-86.5	0	0	0	112.2	E309 S312 T338 V345 I371 V372 I373	E309-H340 IonicContact OE2-CE1 2.73Å; E309-H340 IonicContact OE2-CG 3.62Å; E309-H340 IonicContact OE2-ND1 2.69Å; E309-H340 PolarHBondContact OE2-ND1 2.72Å; S312-H340 PolarHBondContact OG-CE1 2.99Å; T338-H340 WeakPolarHBondContact CB-NE2 3.36Å; T338-H340 PolarHBondContact O-CD2 2.65Å; T338-H340 PolarHBondContact O-NE2 2.77Å; T338-H340 PolarHBondContact OG1-CE1 3.34Å; T338-H340 VanDerWaalsContact OG1-CE1 3.23Å; T338-H340 PolarHBondContact OG1-NE2 2.88Å; H340-V345 HydrophobicContact CB-CB 3.86Å; H340-V345 HydrophobicContact CB-CG2 3.94Å; H340-I371 PolarHBondContact CD2-O 3.48Å; H340-I371 PolarHBondContact N-O 2.99Å; H340-V372 HydrophobicContact CB-CG2 4.28Å; H340-I373 PolarHBondContact O-N 2.91Å
341	G	97.1	Very high	97.1	Very high	19 Å²	19	20.1 Å²	20.1	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.6	167.3	0	0	0	0	0	112.1	A343 A344 V345	G341-A343 PolarHBondContact O-N 3.14Å; G341-A344 PolarHBondContact O-N 3.27Å; G341-A344 VanDerWaalsContact O-N 3.09Å; G341-V345 WeakPolarHBondContact O-CB 3.36Å; G341-V345 WeakPolarHBondContact O-CG1 3.39Å; G341-V345 PolarHBondContact O-N 2.93Å
342	D	96.7	Very high	97.4	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-57.7	-46.5	-176.2	47.3	-65.6	0	0	0	114.6	A344 V372 N374 N375 V377 C393	D342-A344 VanDerWaalsContact C-N 3.33Å; D342-V372 HydrophobicContact CB-CG1 4.37Å; D342-N374 HydrophobicContact CB-CB 4.24Å; D342-N375 PolarHBondContact OD1-ND2 2.87Å; D342-V377 PolarHBondContact OD2-N 2.95Å; D342-C393 HydrophobicContact CB-CB 4.16Å; D342-C393 WeakPolarHBondContact O-CB 3.38Å
343	A	96.3	Very high	97.6	Very high	32 Å²	32	23 Å²	23	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-73.5	-26.4	175.6	0	0	0	0	0	112.9	G341 G347	G341-A343 PolarHBondContact O-N 3.14Å; A343-G347 PolarHBondContact O-N 2.75Å
344	A	97.4	Very high	97.8	Very high	11 Å²	11	21 Å²	21	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-83.9	-39.8	-173.9	0	0	0	0	0	112.5	L308 E309 G341 D342 T346 G347 Q348	L308-A344 HydrophobicContact CB-CB 4.09Å; L308-A344 HydrophobicContact CD1-CB 3.7Å; E309-A344 HydrophobicContact CG-CB 3.94Å; E309-A344 WeakPolarHBondContact OE1-CB 2.88Å; G341-A344 PolarHBondContact O-N 3.27Å; G341-A344 VanDerWaalsContact O-N 3.09Å; D342-A344 VanDerWaalsContact C-N 3.33Å; A344-T346 PolarHBondContact O-N 2.94Å; A344-G347 PolarHBondContact O-N 2.69Å; A344-G347 VanDerWaalsContact O-N 3.13Å; A344-Q348 WeakPolarHBondContact O-CG 3.39Å; A344-Q348 PolarHBondContact O-N 3.49Å; A344-Q348 VanDerWaalsContact O-N 3.14Å
345	V	97.8	Very high	97.8	Very high	1 Å²	1	21 Å²	21	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-28.4	-179.8	74	0	0	0	0	112.9	H340 G341 V351 V372 C393 I396 F434	H340-V345 HydrophobicContact CB-CB 3.86Å; H340-V345 HydrophobicContact CB-CG2 3.94Å; G341-V345 WeakPolarHBondContact O-CB 3.36Å; G341-V345 WeakPolarHBondContact O-CG1 3.39Å; G341-V345 PolarHBondContact O-N 2.93Å; V345-V351 HydrophobicContact CG2-CG1 4.1Å; V345-V372 HydrophobicContact CG1-CG1 3.99Å; V345-V372 HydrophobicContact CG1-CG2 4.15Å; V345-V372 HydrophobicContact CG2-CG2 4.24Å; V345-C393 HydrophobicContact CG1-CB 3.89Å; V345-I396 HydrophobicContact CG2-CG2 4.38Å; V345-F434 HydrophobicContact CG2-CE1 4.46Å
346	T	95.9	Very high	97.8	Very high	48 Å²	48	24.7 Å²	24.7	29%	0.294	16%	0.161	S	C	.	.	H	α-helix	trans	-92.2	-28.3	173.1	-37.9	0	0	0	0	112.6	A344 R388 C393	A344-T346 PolarHBondContact O-N 2.94Å; T346-R388 HydrophobicContact CG2-CB 3.84Å; T346-C393 VanDerWaalsContact OG1-CA 3.23Å; T346-C393 WeakPolarHBondContact OG1-CA 3.32Å; T346-C393 WeakPolarHBondContact OG1-CB 3.42Å; T346-C393 PolarHBondContact OG1-O 3.36Å
347	G	96	Very high	97.8	Very high	47 Å²	47	25 Å²	25	49%	0.485	16%	0.163	S	C	.	.	H	α-helix	trans	-95.1	0.8	-170.3	0	0	0	0	0	116.8	A343 A344	A343-G347 PolarHBondContact O-N 2.75Å; A344-G347 PolarHBondContact O-N 2.69Å; A344-G347 VanDerWaalsContact O-N 3.13Å
348	Q	98.1	Very high	97.7	Very high	91 Å²	91	25.6 Å²	25.6	43%	0.425	17%	0.167	S	C	.	.			trans	-123.5	121.9	-177.8	-60.7	-69.9	-102.9	0	0	112.1	E309 A344 V350 V351	E309-Q348 HydrophobicContact CB-CB 4.01Å; E309-Q348 HydrophobicContact CB-CG 4.31Å; E309-Q348 HydrophobicContact CG-CB 3.89Å; E309-Q348 HydrophobicContact CG-CG 3.89Å; A344-Q348 WeakPolarHBondContact O-CG 3.39Å; A344-Q348 PolarHBondContact O-N 3.49Å; A344-Q348 VanDerWaalsContact O-N 3.14Å; Q348-V350 VanDerWaalsContact C-N 3.3Å; Q348-V350 HydrophobicContact CB-CG1 4.36Å; Q348-V350 PolarHBondContact O-N 3.29Å; Q348-V351 HydrophobicContact CB-CG2 4.48Å; Q348-V351 WeakPolarHBondContact O-CB 3.34Å; Q348-V351 PolarHBondContact O-N 2.86Å; Q348-V351 VanDerWaalsContact O-N 3.14Å
349	G	98	Very high	97.6	Very high	51 Å²	51	32 Å²	32	53%	0.526	19%	0.194	S	C	.	.	H	α-helix	trans	-57.7	-37	-174.7	0	0	0	0	0	114.3	V351 Q352 E353	G349-V351 PolarHBondContact O-N 3.09Å; G349-Q352 WeakPolarHBondContact O-CA 3.36Å; G349-Q352 VanDerWaalsContact O-CB 3.29Å; G349-Q352 WeakPolarHBondContact O-CB 3.48Å; G349-Q352 PolarHBondContact O-N 3.13Å; G349-E353 PolarHBondContact O-N 2.91Å
350	V	98.4	Very high	97.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-53.3	-26.1	177.3	73.3	0	0	0	0	114.1	E309 I310 P313 Q348 T354 E603 A604	E309-V350 HydrophobicContact CB-CG1 3.74Å; I310-V350 HydrophobicContact CD1-CG2 3.79Å; P313-V350 HydrophobicContact CG-CG2 3.83Å; Q348-V350 VanDerWaalsContact C-N 3.3Å; Q348-V350 HydrophobicContact CB-CG1 4.36Å; Q348-V350 PolarHBondContact O-N 3.29Å; V350-T354 WeakPolarHBondContact O-CB 3.3Å; V350-T354 PolarHBondContact O-N 3.03Å; V350-T354 PolarHBondContact O-OG1 2.94Å; V350-E603 HydrophobicContact CG2-CG 4.28Å; V350-A604 HydrophobicContact CG2-CB 3.99Å
351	V	98.4	Very high	97.3	Very high	4 Å²	4	39 Å²	39	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-41.1	174.8	-177.7	0	0	0	0	110.9	E309 V345 Q348 G349 L355 I396	E309-V351 HydrophobicContact CB-CG2 3.7Å; E309-V351 HydrophobicContact CG-CG2 3.78Å; V345-V351 HydrophobicContact CG2-CG1 4.1Å; Q348-V351 HydrophobicContact CB-CG2 4.48Å; Q348-V351 WeakPolarHBondContact O-CB 3.34Å; Q348-V351 PolarHBondContact O-N 2.86Å; Q348-V351 VanDerWaalsContact O-N 3.14Å; G349-V351 PolarHBondContact O-N 3.09Å; V351-L355 HydrophobicContact CG1-CD1 4.01Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 WeakPolarHBondContact O-CD1 3.46Å; V351-L355 VanDerWaalsContact O-CG 3.22Å; V351-L355 WeakPolarHBondContact O-CG 3.33Å; V351-L355 PolarHBondContact O-N 3.34Å; V351-I396 HydrophobicContact CG1-CG1 4.39Å; V351-I396 HydrophobicContact CG1-CG2 4.3Å
352	Q	98.4	Very high	97.2	Very high	79 Å²	79	38.2 Å²	38.2	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-48.4	176.1	-174	-76.8	-28.7	0	0	110.7	G349 T354 L355 N356 I396 M399	G349-Q352 WeakPolarHBondContact O-CA 3.36Å; G349-Q352 VanDerWaalsContact O-CB 3.29Å; G349-Q352 WeakPolarHBondContact O-CB 3.48Å; G349-Q352 PolarHBondContact O-N 3.13Å; Q352-T354 PolarHBondContact O-N 3.15Å; Q352-L355 PolarHBondContact O-N 3.49Å; Q352-N356 PolarHBondContact O-N 2.75Å; Q352-I396 HydrophobicContact CB-CD1 4.32Å; Q352-I396 HydrophobicContact CG-CD1 4.46Å; Q352-M399 HydrophobicContact CG-CE 4.26Å; Q352-M399 HydrophobicContact CG-SD 3.69Å; Q352-M399 PolarHBondContact NE2-SD 2.57Å; Q352-M399 WeakPolarHBondContact O-CE 3.29Å
353	E	98.5	Very high	97.3	Very high	39 Å²	39	38 Å²	38	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-46.9	178.2	-66.6	173.6	-135.8	0	0	111.1	G349 L355 N356 M357 S601 A604	G349-E353 PolarHBondContact O-N 2.91Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 2.95Å; E353-N356 WeakPolarHBondContact O-CB 3.17Å; E353-N356 PolarHBondContact O-N 3.34Å; E353-N356 VanDerWaalsContact O-N 3.09Å; E353-M357 WeakPolarHBondContact O-CG 3.49Å; E353-M357 PolarHBondContact O-N 2.72Å; E353-S601 WeakPolarHBondContact OE2-CB 3.41Å; E353-S601 PolarHBondContact OE2-OG 3.17Å; E353-A604 HydrophobicContact CB-CB 3.48Å; E353-A604 VanDerWaalsContact CB-CB 3.48Å; E353-A604 HydrophobicContact CG-CB 4.49Å; E353-A604 WeakPolarHBondContact OE2-CB 3.47Å; E353-A604 PolarHBondContact OE2-N 2.91Å
354	T	98.5	Very high	97.3	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-34.7	179.1	-59.3	0	0	0	0	112.4	P313 I316 V350 Q352 S358	P313-T354 WeakPolarHBondContact CD-OG1 3.41Å; I316-T354 HydrophobicContact CD1-CG2 3.38Å; V350-T354 WeakPolarHBondContact O-CB 3.3Å; V350-T354 PolarHBondContact O-N 3.03Å; V350-T354 PolarHBondContact O-OG1 2.94Å; Q352-T354 PolarHBondContact O-N 3.15Å; T354-S358 PolarHBondContact O-N 2.91Å
355	L	98.1	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-40.8	172.7	-73.8	164.6	0	0	0	111.3	V351 Q352 E353 M357 S358 I396 M399 V400 D432 F434	V351-L355 HydrophobicContact CG1-CD1 4.01Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 WeakPolarHBondContact O-CD1 3.46Å; V351-L355 VanDerWaalsContact O-CG 3.22Å; V351-L355 WeakPolarHBondContact O-CG 3.33Å; V351-L355 PolarHBondContact O-N 3.34Å; Q352-L355 PolarHBondContact O-N 3.49Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 2.95Å; L355-M357 VanDerWaalsContact C-N 3.25Å; L355-M357 PolarHBondContact O-N 3.2Å; L355-S358 WeakPolarHBondContact O-CB 3.47Å; L355-S358 PolarHBondContact O-N 3.49Å; L355-S358 PolarHBondContact O-OG 2.97Å; L355-I396 HydrophobicContact CD1-CG1 3.77Å; L355-I396 HydrophobicContact CD1-CG2 4.34Å; L355-M399 HydrophobicContact CB-CE 3.85Å; L355-V400 HydrophobicContact CB-CG1 4.01Å; L355-V400 HydrophobicContact CD2-CG2 4Å; L355-V400 WeakPolarHBondContact O-CG1 3.4Å; L355-D432 WeakPolarHBondContact CD2-OD2 3.41Å; L355-F434 HydrophobicContact CD1-CZ 4.1Å; L355-F434 HydrophobicContact CD2-CE2 3.9Å; L355-F434 HydrophobicContact CD2-CZ 3.88Å
356	N	98.1	Very high	97.2	Very high	77 Å²	77	40.2 Å²	40.2	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-58.9	-38.4	174.9	-166.8	37.6	0	0	0	111.7	Q352 E353 S358 M399	Q352-N356 PolarHBondContact O-N 2.75Å; E353-N356 WeakPolarHBondContact O-CB 3.17Å; E353-N356 PolarHBondContact O-N 3.34Å; E353-N356 VanDerWaalsContact O-N 3.09Å; N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 2.89Å; N356-M399 HydrophobicContact CB-CE 4.09Å
357	M	97.9	Very high	97.3	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-20.3	175.4	-66.2	166	77	0	0	114.3	E353 L355 K359 A360 Y363 V599 A604 V605 F608	E353-M357 WeakPolarHBondContact O-CG 3.49Å; E353-M357 PolarHBondContact O-N 2.72Å; L355-M357 VanDerWaalsContact C-N 3.25Å; L355-M357 PolarHBondContact O-N 3.2Å; M357-K359 PolarHBondContact O-N 2.85Å; M357-A360 PolarHBondContact O-N 3.39Å; M357-Y363 HydrophobicContact CB-CG 4.5Å; M357-Y363 HydrophobicContact CE-CD1 3.37Å; M357-Y363 HydrophobicContact CE-CE1 3.9Å; M357-Y363 HydrophobicContact CE-CG 3.81Å; M357-V599 HydrophobicContact CG-CG2 3.61Å; M357-A604 HydrophobicContact SD-CB 3.54Å; M357-A604 VanDerWaalsContact SD-CB 3.54Å; M357-V605 HydrophobicContact CE-CG2 3.98Å; M357-V605 HydrophobicContact SD-CG2 4.21Å; M357-F608 HydrophobicContact CE-CB 3.76Å; M357-F608 HydrophobicContact CE-CD2 3.7Å; M357-F608 HydrophobicContact CE-CG 3.93Å
358	S	97	Very high	97.4	Very high	12 Å²	12	35.7 Å²	35.7	8%	0.084	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.9	-168.6	65.5	0	0	0	0	115.6	T354 L355 N356 E364	T354-S358 PolarHBondContact O-N 2.91Å; L355-S358 WeakPolarHBondContact O-CB 3.47Å; L355-S358 PolarHBondContact O-N 3.49Å; L355-S358 PolarHBondContact O-OG 2.97Å; N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 2.89Å; S358-E364 VanDerWaalsContact O-CB 3.28Å; S358-E364 WeakPolarHBondContact O-CB 3.22Å
359	K	96.2	Very high	97.4	Very high	134 Å²	134	31.4 Å²	31.4	58%	0.583	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.4	12.4	177.6	-66.6	-158.2	72.7	-173.6	0	114.1	M357 R431	M357-K359 PolarHBondContact O-N 2.85Å; K359-R431 HydrophobicContact CD-CG 4.36Å
360	A	96.9	Very high	97.5	Very high	22 Å²	22	29.1 Å²	29.1	18%	0.182	14%	0.139	C	C	.	.			trans	-84.3	125.8	177.1	0	0	0	0	0	109.8	M357 G362 Y363 E364 V599	M357-A360 PolarHBondContact O-N 3.39Å; A360-G362 PolarHBondContact O-N 3.13Å; A360-Y363 HydrophobicContact CB-CD2 3.84Å; A360-Y363 CarbonylContact O-C 3.56Å; A360-Y363 PolarHBondContact O-N 2.8Å; A360-E364 PolarHBondContact O-N 3.27Å; A360-V599 HydrophobicContact CB-CG1 4.17Å
361	R	94.6	Very high	97.5	Very high	134 Å²	134	29 Å²	29	51%	0.506	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-38.2	-172.6	60.9	-178.3	-174.5	160	3.1	116.4	R320 W596 D597	R320-R361 PolarHBondContact NH1-O 3.36Å; R320-R361 PolarHBondContact NH2-O 2.68Å; R361-W596 HydrophobicContact CB-CZ3 4.06Å; R361-W596 HydrophobicContact CG-CE3 3.8Å; R361-W596 HydrophobicContact CG-CZ3 3.7Å; R361-D597 IonicContact NH2-OD2 2.77Å; R361-D597 PolarHBondContact NH2-OD2 3.12Å
362	G	94.5	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.7	-179.7	0	0	0	0	0	115.8	A360 R553 W596	A360-G362 PolarHBondContact O-N 3.13Å; G362-R553 PolarHBondContact O-NH1 3.29Å; G362-R553 PolarHBondContact O-NH2 2.8Å; G362-W596 VanDerWaalsContact CA-CG 3.48Å
363	Y	98	Very high	97.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-22.5	-167.1	-52.4	-80.1	0	0	0	113.7	M357 A360 S555 S598 V605 F608	M357-Y363 HydrophobicContact CB-CG 4.5Å; M357-Y363 HydrophobicContact CE-CD1 3.37Å; M357-Y363 HydrophobicContact CE-CE1 3.9Å; M357-Y363 HydrophobicContact CE-CG 3.81Å; A360-Y363 HydrophobicContact CB-CD2 3.84Å; A360-Y363 CarbonylContact O-C 3.56Å; A360-Y363 PolarHBondContact O-N 2.8Å; Y363-S555 PolarHBondContact OH-OG 3.36Å; Y363-S598 WeakPolarHBondContact OH-CA 3.49Å; Y363-S598 WeakPolarHBondContact OH-CB 3.33Å; Y363-V605 HydrophobicContact CE1-CG1 4.09Å; Y363-F608 AromaticContact CD1-CD1 3.87Å; Y363-F608 HydrophobicContact CD1-CD1 3.87Å; Y363-F608 AromaticContact CD1-CD2 3.86Å; Y363-F608 HydrophobicContact CD1-CD2 3.86Å; Y363-F608 AromaticContact CD1-CE1 3.88Å; Y363-F608 HydrophobicContact CD1-CE1 3.88Å; Y363-F608 AromaticContact CD1-CE2 3.79Å; Y363-F608 HydrophobicContact CD1-CE2 3.79Å; Y363-F608 AromaticContact CD1-CG 3.9Å; Y363-F608 HydrophobicContact CD1-CG 3.9Å; Y363-F608 AromaticContact CD1-CZ 3.82Å; Y363-F608 HydrophobicContact CD1-CZ 3.82Å; Y363-F608 HydrophobicContact CE1-CD1 4.26Å; Y363-F608 HydrophobicContact CE1-CE1 4.47Å; Y363-F608 HydrophobicContact CE1-CG 4.48Å; Y363-F608 HydrophobicContact CG-CE2 4.28Å; Y363-F608 HydrophobicContact CG-CZ 4.42Å; Y363-F608 WeakPolarHBondContact O-CE2 3.31Å
364	E	97.3	Very high	97.5	Very high	79 Å²	79	23.5 Å²	23.5	37%	0.369	11%	0.113	S	C	.	.			trans	-61.3	143.7	-179.5	70.8	-178.5	152.5	0	0	112	R320 S358 A360	R320-E364 PolarHBondContact NH1-O 2.75Å; S358-E364 VanDerWaalsContact O-CB 3.28Å; S358-E364 WeakPolarHBondContact O-CB 3.22Å; A360-E364 PolarHBondContact O-N 3.27Å
365	V	97.4	Very high	97.4	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	12%	0.115	C	C	.	.			trans	-126.6	17.6	-178.5	-66.9	0	0	0	0	111.3	I316 V319 R320 L323 S331 P336 R426	I316-V365 HydrophobicContact CG2-CB 4.49Å; I316-V365 HydrophobicContact CG2-CG1 3.74Å; I316-V365 HydrophobicContact CG2-CG2 3.9Å; V319-V365 HydrophobicContact CB-CG1 4.3Å; V319-V365 HydrophobicContact CG1-CB 3.91Å; V319-V365 HydrophobicContact CG1-CG1 3.8Å; R320-V365 HydrophobicContact CB-CG1 4.07Å; L323-V365 HydrophobicContact CD1-CB 4.1Å; L323-V365 HydrophobicContact CD1-CG1 4.23Å; S331-V365 WeakPolarHBondContact CB-O 3.36Å; P336-V365 HydrophobicContact CG-CB 4.27Å; P336-V365 HydrophobicContact CG-CG2 3.61Å; V365-R426 PolarHBondContact O-NH2 2.97Å
366	G	95.9	Very high	97.3	Very high	8 Å²	8	25 Å²	25	8%	0.082	12%	0.12	C	C	.	.	S	Bend	trans	63.2	39.4	-172.7	0	0	0	0	0	113.9	R426 K430	G366-R426 PolarHBondContact O-NE 2.9Å; G366-R426 VanDerWaalsContact O-NE 3.09Å; G366-K430 CarbonylContact C-O 3.54Å; G366-K430 WeakPolarHBondContact CA-O 3.18Å; G366-K430 CarbonylContact O-C 3.6Å; G366-K430 VanDerWaalsContact O-C 3.28Å; G366-K430 VanDerWaalsContact O-CA 3.29Å; G366-K430 WeakPolarHBondContact O-CA 3.41Å
367	G	96.7	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.			trans	88.5	146.3	177.5	0	0	0	0	0	115	R426 K430 R431 D432	G367-R426 PolarHBondContact O-NE 2.72Å; G367-R426 PolarHBondContact O-NH2 3.04Å; G367-K430 PolarHBondContact N-O 2.83Å; G367-R431 VanDerWaalsContact CA-C 3.43Å; G367-D432 VanDerWaalsContact CA-OD1 3.31Å; G367-D432 WeakPolarHBondContact CA-OD1 3.31Å
368	T	98.5	Very high	96.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.109	C	C	.	.			trans	-112.4	139.2	175.5	-52.5	0	0	0	0	110	P336 T338 R370 D432 V433	P336-T368 HydrophobicContact CB-CG2 4.05Å; P336-T368 HydrophobicContact CG-CG2 4.38Å; T338-T368 HydrophobicContact CG2-CG2 4.08Å; T368-R370 HydrophobicContact CG2-CG 3.84Å; T368-D432 PolarHBondContact N-OD1 2.79Å; T368-D432 WeakPolarHBondContact O-CA 3.3Å; T368-V433 PolarHBondContact O-N 3.43Å; T368-V433 VanDerWaalsContact O-N 3.14Å
369	V	98.6	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.4	167.9	-176	0	0	0	0	108.4	M227 L335 P336 I337 T338 A422 L423 R426 V433 I435	M227-V369 HydrophobicContact CE-CB 4.42Å; M227-V369 HydrophobicContact CE-CG1 3.51Å; M227-V369 HydrophobicContact SD-CB 4.01Å; M227-V369 HydrophobicContact SD-CG1 3.74Å; M227-V369 HydrophobicContact SD-CG2 4.39Å; L335-V369 HydrophobicContact CD1-CG2 4.07Å; P336-V369 PolarHBondContact O-N 2.95Å; P336-V369 VanDerWaalsContact O-N 3.15Å; I337-V369 WeakPolarHBondContact CA-O 3.29Å; T338-V369 PolarHBondContact N-O 2.93Å; T338-V369 VanDerWaalsContact N-O 3.13Å; V369-A422 HydrophobicContact CG1-CB 4.44Å; V369-L423 HydrophobicContact CG2-CD1 4.43Å; V369-R426 HydrophobicContact CG2-CB 4.14Å; V369-R426 HydrophobicContact CG2-CG 4.23Å; V369-V433 HydrophobicContact CB-CG1 4.3Å; V369-V433 HydrophobicContact CG1-CG1 4.25Å; V369-V433 HydrophobicContact CG2-CG1 3.9Å; V369-I435 HydrophobicContact CG1-CD1 4.17Å
370	R	98.6	Very high	96.7	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.011	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.5	-172.2	-56.6	-166.8	-177.8	-86.6	5.4	110.2	T338 T368 D432 V433 F434 I435	T338-R370 CarbonylContact O-C 3.59Å; T338-R370 WeakPolarHBondContact O-CA 3.49Å; T338-R370 PolarHBondContact OG1-NH1 3.32Å; T338-R370 VanDerWaalsContact OG1-NH1 3.09Å; T368-R370 HydrophobicContact CG2-CG 3.84Å; R370-D432 IonicContact CZ-OD2 2.7Å; R370-D432 IonicContact NE-OD2 3.53Å; R370-D432 PolarHBondContact NE-OD2 2.68Å; R370-D432 IonicContact NH2-OD2 3.25Å; R370-D432 PolarHBondContact NH2-OD2 3.27Å; R370-V433 PolarHBondContact N-O 2.86Å; R370-F434 HydrophobicContact CB-CD1 3.91Å; R370-F434 HydrophobicContact CB-CE1 4.04Å; R370-F434 HydrophobicContact CB-CG 4.21Å; R370-F434 HydrophobicContact CB-CZ 4.41Å; R370-F434 CarbonylContact O-C 3.49Å; R370-F434 WeakPolarHBondContact O-CA 3.41Å; R370-I435 PolarHBondContact O-N 3.43Å
371	I	98.7	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.2	-179.7	-58.6	161.2	0	0	0	108.1	L220 M223 L224 M227 I337 T338 I339 H340 I435	L220-I371 HydrophobicContact CD1-CD1 4.4Å; L220-I371 HydrophobicContact CD1-CG2 3.89Å; M223-I371 HydrophobicContact CE-CG2 4.49Å; M223-I371 HydrophobicContact CG-CD1 4.29Å; M223-I371 HydrophobicContact SD-CB 4.35Å; M223-I371 HydrophobicContact SD-CD1 3.61Å; M223-I371 HydrophobicContact SD-CG1 3.78Å; M223-I371 HydrophobicContact SD-CG2 3.59Å; M223-I371 VanDerWaalsContact SD-CG2 3.59Å; L224-I371 HydrophobicContact CD2-CD1 3.67Å; M227-I371 HydrophobicContact CE-CD1 3.97Å; M227-I371 HydrophobicContact CE-CG1 4.41Å; I337-I371 HydrophobicContact CG2-CD1 3.8Å; T338-I371 PolarHBondContact O-N 2.81Å; I339-I371 CarbonylContact C-O 3.59Å; I339-I371 VanDerWaalsContact CA-O 3.28Å; I339-I371 WeakPolarHBondContact CA-O 3.41Å; I339-I371 HydrophobicContact CG1-CB 4.49Å; I339-I371 HydrophobicContact CG1-CD1 4.37Å; I339-I371 HydrophobicContact CG2-CB 4.47Å; I339-I371 HydrophobicContact CG2-CG2 4.48Å; H340-I371 PolarHBondContact CD2-O 3.48Å; H340-I371 PolarHBondContact N-O 2.99Å; I371-I435 CarbonylContact C-O 3.15Å; I371-I435 WeakPolarHBondContact CA-O 3.26Å; I371-I435 HydrophobicContact CG1-CD1 4.48Å
372	V	98.7	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.7	170.2	-171.9	0	0	0	0	108.6	H340 D342 V345 N374 T394 F434 I435 L437	H340-V372 HydrophobicContact CB-CG2 4.28Å; D342-V372 HydrophobicContact CB-CG1 4.37Å; V345-V372 HydrophobicContact CG1-CG1 3.99Å; V345-V372 HydrophobicContact CG1-CG2 4.15Å; V345-V372 HydrophobicContact CG2-CG2 4.24Å; V372-N374 HydrophobicContact CG1-CB 4.38Å; V372-N374 PolarHBondContact O-N 2.94Å; V372-T394 HydrophobicContact CB-CG2 4.26Å; V372-T394 HydrophobicContact CG2-CG2 3.54Å; V372-F434 HydrophobicContact CG2-CD1 4.43Å; V372-I435 PolarHBondContact N-O 3.28Å; V372-L437 WeakPolarHBondContact O-CB 3.37Å; V372-L437 PolarHBondContact O-N 3.34Å
373	I	98.4	Very high	96.4	Very high	7 Å²	7	23 Å²	23	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	79	172.3	-52	172	0	0	0	107.5	L220 R246 I339 H340 N375	L220-I373 HydrophobicContact CD2-CD1 3.65Å; L220-I373 HydrophobicContact CD2-CG1 4.19Å; R246-I373 HydrophobicContact CB-CD1 4.11Å; R246-I373 HydrophobicContact CG-CD1 3.93Å; R246-I373 HydrophobicContact CG-CG2 4.09Å; I339-I373 HydrophobicContact CG2-CD1 3.61Å; I339-I373 HydrophobicContact CG2-CG1 3.69Å; H340-I373 PolarHBondContact O-N 2.91Å; I373-N375 PolarHBondContact O-N 2.84Å; I373-N375 PolarHBondContact O-ND2 3.07Å
374	N	98.2	Very high	95.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	76.7	-175.3	-177.2	3.4	0	0	0	111.2	D342 V372 Q376 D436 L437 C439	D342-N374 HydrophobicContact CB-CB 4.24Å; V372-N374 HydrophobicContact CG1-CB 4.38Å; V372-N374 PolarHBondContact O-N 2.94Å; N374-Q376 PolarHBondContact O-N 3.3Å; N374-D436 WeakPolarHBondContact CB-OD1 3.42Å; N374-D436 PolarHBondContact ND2-OD1 3.37Å; N374-D436 PolarHBondContact ND2-OD2 3.35Å; N374-L437 PolarHBondContact N-O 3.22Å; N374-C439 PolarHBondContact O-N 2.79Å; N374-C439 PolarHBondContact O-SG 3.48Å; N374-C439 VanDerWaalsContact O-SG 3.36Å
375	N	96.5	Very high	95.6	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.064	17%	0.168	C	C	.	.			trans	-82.9	4.7	179.7	67.2	101.5	0	0	0	112.4	D342 I373 V377 C439 R441	D342-N375 PolarHBondContact OD1-ND2 2.87Å; I373-N375 PolarHBondContact O-N 2.84Å; I373-N375 PolarHBondContact O-ND2 3.07Å; N375-V377 VanDerWaalsContact C-N 3.28Å; N375-V377 PolarHBondContact O-N 3.15Å; N375-V377 PolarHBondContact OD1-O 3.14Å; N375-C439 VanDerWaalsContact CA-SG 3.59Å; N375-C439 PolarHBondContact N-SG 3.08Å; N375-C439 VanDerWaalsContact N-SG 3.42Å; N375-R441 HydrophobicContact CB-CB 4.24Å
376	Q	96	Very high	95.4	Very high	24 Å²	24	35 Å²	35	11%	0.112	20%	0.198	C	C	.	.	S	Bend	trans	66.9	15.7	172.1	-41.7	173.8	41.2	0	0	115.3	D110 W115 N374 C439 M458	D110-Q376 PolarHBondContact OD1-NE2 2.89Å; W115-Q376 HydrophobicContact CZ2-CG 4.38Å; N374-Q376 PolarHBondContact O-N 3.3Å; Q376-C439 PolarHBondContact NE2-O 3.08Å; Q376-M458 HydrophobicContact CB-CE 3.9Å
377	V	95.1	Very high	95.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	21%	0.205	C	C	.	.			trans	-155.1	103.5	-179.4	54.3	0	0	0	0	114	D342 N375 F379 T381 R441 Q455 M458	D342-V377 PolarHBondContact OD2-N 2.95Å; N375-V377 VanDerWaalsContact C-N 3.28Å; N375-V377 PolarHBondContact O-N 3.15Å; N375-V377 PolarHBondContact OD1-O 3.14Å; V377-F379 WeakPolarHBondContact CG2-O 3.21Å; V377-F379 PolarHBondContact O-N 3.23Å; V377-F379 VanDerWaalsContact O-N 3.16Å; V377-T381 WeakPolarHBondContact CA-O 3.46Å; V377-R441 HydrophobicContact CG1-CB 4.18Å; V377-R441 PolarHBondContact O-NH1 2.65Å; V377-Q455 HydrophobicContact CG2-CG 4.31Å; V377-M458 HydrophobicContact CG1-CE 4.18Å; V377-M458 HydrophobicContact CG1-SD 4.4Å
378	G	93.6	Very high	95	Very high	19 Å²	19	37.4 Å²	37.4	20%	0.196	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-74.6	97.3	169.9	0	0	0	0	0	111.8	T380 T381	G378-T380 PolarHBondContact O-N 3.06Å; G378-T381 PolarHBondContact N-O 3.35Å; G378-T381 WeakPolarHBondContact O-CB 3.22Å; G378-T381 PolarHBondContact O-N 3.39Å
379	F	94.3	Very high	94.8	Very high	107 Å²	107	43.5 Å²	43.5	47%	0.469	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-95.7	-174.2	-165.2	-93	0	0	0	112	V377 R441 H445	V377-F379 WeakPolarHBondContact CG2-O 3.21Å; V377-F379 PolarHBondContact O-N 3.23Å; V377-F379 VanDerWaalsContact O-N 3.16Å; F379-R441 PolarHBondContact O-NH1 3.01Å; F379-R441 PolarHBondContact O-NH2 2.74Å; F379-H445 HydrophobicContact CD2-CB 3.83Å; F379-H445 AromaticContact CD2-CD2 3.28Å; F379-H445 WeakPolarHBondContact CD2-CD2 3.38Å; F379-H445 AromaticContact CD2-CE1 3.9Å; F379-H445 AromaticContact CD2-CG 3.29Å; F379-H445 AromaticContact CD2-ND1 3.7Å; F379-H445 AromaticContact CD2-NE2 3.68Å; F379-H445 HydrophobicContact CE2-CB 4.09Å; F379-H445 AromaticContact CE2-CD2 3.42Å; F379-H445 VanDerWaalsContact CE2-CD2 3.42Å; F379-H445 WeakPolarHBondContact CE2-CD2 3.47Å; F379-H445 AromaticContact CE2-CG 3.75Å; F379-H445 HydrophobicContact CG-CB 4.38Å
380	T	94.5	Very high	94.6	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.331	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	2.7	174.2	50.7	0	0	0	0	113.1	G378 T454 Q455	G378-T380 PolarHBondContact O-N 3.06Å; T380-T454 HydrophobicContact CG2-CG2 4.22Å; T380-Q455 PolarHBondContact O-NE2 3.05Å; T380-Q455 PolarHBondContact O-OE1 3.21Å
381	T	94.2	Very high	94.3	Very high	52 Å²	52	50.7 Å²	50.7	32%	0.319	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-100.7	104.4	-178.2	-53.2	0	0	0	0	109.7	V377 G378 D386 A387	V377-T381 WeakPolarHBondContact CA-O 3.46Å; G378-T381 PolarHBondContact N-O 3.35Å; G378-T381 WeakPolarHBondContact O-CB 3.22Å; G378-T381 PolarHBondContact O-N 3.39Å; T381-D386 HydrophobicContact CG2-CB 3.62Å; T381-A387 HydrophobicContact CG2-CB 4.19Å
382	S	92.8	Very high	94.1	Very high	48 Å²	48	51.8 Å²	51.8	34%	0.336	30%	0.304	S	S	.	.			trans	-114.4	-9.2	178.2	66.7	0	0	0	0	113.8	P384 Q455	S382-P384 WeakPolarHBondContact O-CD 3.35Å; S382-Q455 WeakPolarHBondContact OG-CG 3.29Å; S382-Q455 PolarHBondContact OG-NE2 2.77Å
383	N	91.7	Very high	94.1	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.332	30%	0.304	S	S	.	.			trans	-74.6	121	173.6	174.3	15.9	0	0	0	108.4	L385 D386 A387	N383-L385 PolarHBondContact O-N 3.27Å; N383-L385 PolarHBondContact OD1-N 2.83Å; N383-D386 HydrophobicContact CB-CB 4.29Å; N383-D386 VanDerWaalsContact CB-OD2 3.26Å; N383-D386 WeakPolarHBondContact CB-OD2 3.38Å; N383-D386 PolarHBondContact ND2-OD2 3.48Å; N383-D386 PolarHBondContact O-N 2.76Å; N383-D386 VanDerWaalsContact O-N 3.13Å; N383-A387 PolarHBondContact O-N 3.34Å
384	P	88.3	Confident	94.1	Very high	65 Å²	65	51.4 Å²	51.4	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-56	-36.8	-179.9	-27.1	36	0	0	0	112.9	S382 D386 A387 R388	S382-P384 WeakPolarHBondContact O-CD 3.35Å; P384-D386 VanDerWaalsContact C-N 3.27Å; P384-D386 PolarHBondContact O-N 3.27Å; P384-A387 PolarHBondContact O-N 2.82Å; P384-A387 VanDerWaalsContact O-N 3.11Å; P384-R388 WeakPolarHBondContact O-CG 3.46Å; P384-R388 PolarHBondContact O-N 2.81Å
385	L	90.5	Very high	94	Very high	148 Å²	148	52.4 Å²	52.4	78%	0.775	31%	0.307	S	S	*	.	H	α-helix	trans	-65.9	-26.3	-178.3	-59.1	175.4	0	0	0	113.7	N383	N383-L385 PolarHBondContact O-N 3.27Å; N383-L385 PolarHBondContact OD1-N 2.83Å
386	D	93.7	Very high	94.1	Very high	121 Å²	121	53.9 Å²	53.9	65%	0.647	32%	0.315	S	S	*	.	H	α-helix	trans	-89	-15.7	176.9	-60.9	-35.5	0	0	0	112.1	T381 N383 P384	T381-D386 HydrophobicContact CG2-CB 3.62Å; N383-D386 HydrophobicContact CB-CB 4.29Å; N383-D386 VanDerWaalsContact CB-OD2 3.26Å; N383-D386 WeakPolarHBondContact CB-OD2 3.38Å; N383-D386 PolarHBondContact ND2-OD2 3.48Å; N383-D386 PolarHBondContact O-N 2.76Å; N383-D386 VanDerWaalsContact O-N 3.13Å; P384-D386 VanDerWaalsContact C-N 3.27Å; P384-D386 PolarHBondContact O-N 3.27Å
387	A	90.2	Very high	94.2	Very high	28 Å²	28	52.7 Å²	52.7	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-104.4	-27.1	-176.8	0	0	0	0	0	113.8	T381 N383 P384	T381-A387 HydrophobicContact CG2-CB 4.19Å; N383-A387 PolarHBondContact O-N 3.34Å; P384-A387 PolarHBondContact O-N 2.82Å; P384-A387 VanDerWaalsContact O-N 3.11Å
388	R	93.8	Very high	94.3	Very high	32 Å²	32	55.6 Å²	55.6	12%	0.121	32%	0.321	C	S	.	.			trans	-162	156.6	-177.3	54	178	-179.3	-91.7	3.7	112.6	T346 P384 T390 P391	T346-R388 HydrophobicContact CG2-CB 3.84Å; P384-R388 WeakPolarHBondContact O-CG 3.46Å; P384-R388 PolarHBondContact O-N 2.81Å; R388-T390 WeakPolarHBondContact CD-O 3.46Å; R388-T390 WeakPolarHBondContact CG-O 3.14Å; R388-T390 PolarHBondContact NE-O 2.77Å; R388-P391 PolarHBondContact NE-O 3.48Å; R388-P391 PolarHBondContact NH2-O 3.43Å
389	S	94.6	Very high	94.5	Very high	129 Å²	129	58.5 Å²	58.5	90%	0.902	33%	0.331	S	S	*	.	S	Bend	trans	-97.7	17.4	175.5	-48.7	0	0	0	0	113.5
390	T	93.6	Very high	94.6	Very high	55 Å²	55	55 Å²	55	34%	0.337	32%	0.318	S	S	.	.	S	Bend	trans	-138.6	158.7	-176.7	71.8	0	0	0	0	110.9	R388 Y392 D395	R388-T390 WeakPolarHBondContact CD-O 3.46Å; R388-T390 WeakPolarHBondContact CG-O 3.14Å; R388-T390 PolarHBondContact NE-O 2.77Å; T390-Y392 PolarHBondContact O-N 3.47Å; T390-Y392 PolarHBondContact OG1-O 3.23Å; T390-Y392 VanDerWaalsContact OG1-O 3.13Å; T390-D395 WeakPolarHBondContact CB-OD2 3.45Å; T390-D395 HydrophobicContact CG2-CB 4.33Å; T390-D395 WeakPolarHBondContact OG1-CB 3.39Å; T390-D395 PolarHBondContact OG1-OD2 3.05Å
391	P	91.9	Very high	94.8	Very high	99 Å²	99	55.5 Å²	55.5	64%	0.643	32%	0.317	S	S	*	.	S	Bend	trans	-59.1	-48.5	-176.7	-25.5	35.5	0	0	0	114	R388 D395	R388-P391 PolarHBondContact NE-O 3.48Å; R388-P391 PolarHBondContact NH2-O 3.43Å; P391-D395 WeakPolarHBondContact CD-OD2 3.5Å
392	Y	96.2	Very high	94.9	Very high	22 Å²	22	53 Å²	53	9%	0.086	30%	0.302	C	S	.	.	S	Bend	trans	-111.3	144	-174.6	-57.4	-81.9	0	0	0	111.2	H104 L109 T390 T394 D395 H406	H104-Y392 AromaticContact CE1-CE2 3.64Å; H104-Y392 AromaticContact ND1-CE2 3.59Å; H104-Y392 AromaticContact ND1-CZ 3.64Å; H104-Y392 PolarHBondContact ND1-OH 2.72Å; H104-Y392 PolarHBondContact O-OH 2.64Å; H104-Y392 VanDerWaalsContact O-OH 3.09Å; L109-Y392 HydrophobicContact CD1-CE1 4.37Å; T390-Y392 PolarHBondContact O-N 3.47Å; T390-Y392 PolarHBondContact OG1-O 3.23Å; T390-Y392 VanDerWaalsContact OG1-O 3.13Å; Y392-T394 PolarHBondContact O-N 3.29Å; Y392-D395 PolarHBondContact N-OD2 3.34Å; Y392-D395 WeakPolarHBondContact O-CB 3.33Å; Y392-D395 VanDerWaalsContact O-CG 3.27Å; Y392-D395 PolarHBondContact O-N 3.05Å; Y392-H406 AromaticContact CD1-CE1 3.24Å; Y392-H406 WeakPolarHBondContact CD1-CE1 3.14Å; Y392-H406 AromaticContact CD1-ND1 3.54Å; Y392-H406 AromaticContact CD2-CE1 3.87Å; Y392-H406 AromaticContact CE1-CE1 3.58Å; Y392-H406 AromaticContact CE1-ND1 3.8Å; Y392-H406 AromaticContact CE1-NE2 3.94Å; Y392-H406 AromaticContact CG-CE1 3.39Å; Y392-H406 AromaticContact CZ-NE2 3.99Å
393	C	97.3	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.7	-27.1	175.2	48.6	0	0	0	0	112.9	D342 V345 T346 D395	D342-C393 HydrophobicContact CB-CB 4.16Å; D342-C393 WeakPolarHBondContact O-CB 3.38Å; V345-C393 HydrophobicContact CG1-CB 3.89Å; T346-C393 VanDerWaalsContact OG1-CA 3.23Å; T346-C393 WeakPolarHBondContact OG1-CA 3.32Å; T346-C393 WeakPolarHBondContact OG1-CB 3.42Å; T346-C393 PolarHBondContact OG1-O 3.36Å; C393-D395 VanDerWaalsContact C-N 3.3Å; C393-D395 PolarHBondContact O-N 2.73Å
394	T	98.2	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-78.7	-2.3	178.1	40.3	0	0	0	0	115.1	V372 Y392 I396 G397 I404 F434 D436	V372-T394 HydrophobicContact CB-CG2 4.26Å; V372-T394 HydrophobicContact CG2-CG2 3.54Å; Y392-T394 PolarHBondContact O-N 3.29Å; T394-I396 PolarHBondContact O-N 2.63Å; T394-G397 PolarHBondContact O-N 3.46Å; T394-I404 HydrophobicContact CG2-CG2 4.35Å; T394-I404 WeakPolarHBondContact O-CD1 3.28Å; T394-I404 WeakPolarHBondContact OG1-CG2 3.42Å; T394-F434 HydrophobicContact CG2-CB 4.27Å; T394-F434 HydrophobicContact CG2-CD1 3.82Å; T394-F434 HydrophobicContact CG2-CG 4.43Å; T394-D436 HydrophobicContact CG2-CB 3.82Å
395	D	98	Very high	96	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.112	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-54.5	-27.3	-179.8	-78.2	-46	0	0	0	113.3	T390 P391 Y392 C393 G397 K398	T390-D395 WeakPolarHBondContact CB-OD2 3.45Å; T390-D395 HydrophobicContact CG2-CB 4.33Å; T390-D395 WeakPolarHBondContact OG1-CB 3.39Å; T390-D395 PolarHBondContact OG1-OD2 3.05Å; P391-D395 WeakPolarHBondContact CD-OD2 3.5Å; Y392-D395 PolarHBondContact N-OD2 3.34Å; Y392-D395 WeakPolarHBondContact O-CB 3.33Å; Y392-D395 VanDerWaalsContact O-CG 3.27Å; Y392-D395 PolarHBondContact O-N 3.05Å; C393-D395 VanDerWaalsContact C-N 3.3Å; C393-D395 PolarHBondContact O-N 2.73Å; D395-G397 PolarHBondContact O-N 3.35Å; D395-K398 WeakPolarHBondContact O-CB 3.42Å; D395-K398 WeakPolarHBondContact O-CG 3.1Å; D395-K398 PolarHBondContact O-N 3.09Å; D395-K398 VanDerWaalsContact OD1-CE 3.3Å; D395-K398 WeakPolarHBondContact OD1-CE 3.04Å; D395-K398 IonicContact OD1-NZ 3.14Å; D395-K398 PolarHBondContact OD1-NZ 3.06Å
396	I	97.7	Very high	96.4	Very high	43 Å²	43	37.7 Å²	37.7	22%	0.221	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-56.4	-29.8	174	-169.5	61	0	0	0	113.3	V345 V351 Q352 L355 T394 K398 M399 F434	V345-I396 HydrophobicContact CG2-CG2 4.38Å; V351-I396 HydrophobicContact CG1-CG1 4.39Å; V351-I396 HydrophobicContact CG1-CG2 4.3Å; Q352-I396 HydrophobicContact CB-CD1 4.32Å; Q352-I396 HydrophobicContact CG-CD1 4.46Å; L355-I396 HydrophobicContact CD1-CG1 3.77Å; L355-I396 HydrophobicContact CD1-CG2 4.34Å; T394-I396 PolarHBondContact O-N 2.63Å; I396-K398 PolarHBondContact O-N 2.69Å; I396-M399 WeakPolarHBondContact O-CB 3.3Å; I396-M399 PolarHBondContact O-N 3.06Å; I396-M399 VanDerWaalsContact O-N 3.16Å; I396-F434 HydrophobicContact CG2-CE1 4.48Å; I396-F434 HydrophobicContact CG2-CZ 4.46Å
397	G	97.7	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.6	-20.9	175.3	0	0	0	0	0	114	T394 D395 M399 V400 Q401 A402	T394-G397 PolarHBondContact O-N 3.46Å; D395-G397 PolarHBondContact O-N 3.35Å; G397-M399 PolarHBondContact O-N 2.97Å; G397-V400 WeakPolarHBondContact O-CG2 3.22Å; G397-V400 PolarHBondContact O-N 3.04Å; G397-Q401 PolarHBondContact O-N 3.31Å; G397-A402 WeakPolarHBondContact O-CB 3.5Å; G397-A402 PolarHBondContact O-N 3.23Å
398	K	98.1	Very high	97	Very high	62 Å²	62	31 Å²	31	27%	0.27	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-67.3	-24.2	176.7	-62.2	172.2	177.7	172.9	0	112.5	E156 D395 I396 V400 Q401 I404	E156-K398 VanDerWaalsContact OE1-CE 3.27Å; E156-K398 WeakPolarHBondContact OE1-CE 3.29Å; E156-K398 IonicContact OE1-NZ 3.65Å; E156-K398 PolarHBondContact OE1-NZ 3.02Å; E156-K398 WeakPolarHBondContact OE2-CE 3.42Å; E156-K398 IonicContact OE2-NZ 3.07Å; E156-K398 PolarHBondContact OE2-NZ 3.41Å; D395-K398 WeakPolarHBondContact O-CB 3.42Å; D395-K398 WeakPolarHBondContact O-CG 3.1Å; D395-K398 PolarHBondContact O-N 3.09Å; D395-K398 VanDerWaalsContact OD1-CE 3.3Å; D395-K398 WeakPolarHBondContact OD1-CE 3.04Å; D395-K398 IonicContact OD1-NZ 3.14Å; D395-K398 PolarHBondContact OD1-NZ 3.06Å; I396-K398 PolarHBondContact O-N 2.69Å; K398-V400 PolarHBondContact O-N 2.96Å; K398-Q401 PolarHBondContact O-N 3.09Å; K398-I404 HydrophobicContact CG-CD1 3.95Å
399	M	97.4	Very high	97.1	Very high	81 Å²	81	29.5 Å²	29.5	40%	0.399	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-55	-41.8	175.9	-171.6	-172.7	79.3	0	0	112	Q352 L355 N356 I396 G397	Q352-M399 HydrophobicContact CG-CE 4.26Å; Q352-M399 HydrophobicContact CG-SD 3.69Å; Q352-M399 PolarHBondContact NE2-SD 2.57Å; Q352-M399 WeakPolarHBondContact O-CE 3.29Å; L355-M399 HydrophobicContact CB-CE 3.85Å; N356-M399 HydrophobicContact CB-CE 4.09Å; I396-M399 WeakPolarHBondContact O-CB 3.3Å; I396-M399 PolarHBondContact O-N 3.06Å; I396-M399 VanDerWaalsContact O-N 3.16Å; G397-M399 PolarHBondContact O-N 2.97Å
400	V	96.7	Very high	97.2	Very high	33 Å²	33	24.5 Å²	24.5	20%	0.2	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-99.1	14.3	178	-60.9	0	0	0	0	112.8	L355 G397 K398 A402 R431	L355-V400 HydrophobicContact CB-CG1 4.01Å; L355-V400 HydrophobicContact CD2-CG2 4Å; L355-V400 WeakPolarHBondContact O-CG1 3.4Å; G397-V400 WeakPolarHBondContact O-CG2 3.22Å; G397-V400 PolarHBondContact O-N 3.04Å; K398-V400 PolarHBondContact O-N 2.96Å; V400-A402 HydrophobicContact CG2-CB 4.09Å; V400-A402 PolarHBondContact O-N 3.43Å; V400-R431 PolarHBondContact O-NH2 2.75Å
401	Q	97.6	Very high	97.3	Very high	65 Å²	65	23.3 Å²	23.3	30%	0.304	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	35	-173.5	-56.6	176.7	21.2	0	0	113.3	I160 T161 G397 K398 R431	I160-Q401 WeakPolarHBondContact CG1-O 3.32Å; T161-Q401 PolarHBondContact OG1-OE1 3.35Å; G397-Q401 PolarHBondContact O-N 3.31Å; K398-Q401 PolarHBondContact O-N 3.09Å; Q401-R431 PolarHBondContact O-NH2 2.84Å
402	A	98.1	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.			trans	-66.9	143.4	176	0	0	0	0	0	110.4	H159 G397 V400 D432 F434	H159-A402 PolarHBondContact CE1-O 3.14Å; H159-A402 PolarHBondContact NE2-O 3.18Å; G397-A402 WeakPolarHBondContact O-CB 3.5Å; G397-A402 PolarHBondContact O-N 3.23Å; V400-A402 HydrophobicContact CG2-CB 4.09Å; V400-A402 PolarHBondContact O-N 3.43Å; A402-D432 WeakPolarHBondContact CB-O 3.5Å; A402-F434 HydrophobicContact CB-CD2 3.85Å; A402-F434 HydrophobicContact CB-CE2 4.13Å
403	P	98.4	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.			trans	-67.1	144.1	163.5	27.6	-30.8	0	0	0	110.1	I160 I169 F405 F425 V433 F434	I160-P403 HydrophobicContact CD1-CB 4.04Å; I160-P403 HydrophobicContact CD1-CG 4.39Å; I169-P403 HydrophobicContact CD1-CB 3.9Å; I169-P403 HydrophobicContact CD1-CG 4.35Å; P403-F405 HydrophobicContact CB-CE2 4.06Å; P403-F405 HydrophobicContact CB-CZ 4.12Å; P403-F405 HydrophobicContact CG-CE2 4.35Å; P403-F425 HydrophobicContact CG-CD1 3.76Å; P403-F425 HydrophobicContact CG-CD2 4.11Å; P403-F425 HydrophobicContact CG-CE1 3.49Å; P403-F425 VanDerWaalsContact CG-CE1 3.49Å; P403-F425 HydrophobicContact CG-CE2 3.86Å; P403-F425 HydrophobicContact CG-CG 4.08Å; P403-F425 HydrophobicContact CG-CZ 3.56Å; P403-V433 HydrophobicContact CG-CB 4.28Å; P403-V433 HydrophobicContact CG-CG2 4.02Å; P403-F434 PolarHBondContact O-N 2.91Å
404	I	98.7	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.2	-180	-58.7	164.4	0	0	0	107.5	E156 T394 K398 F434	E156-I404 HydrophobicContact CB-CB 4.39Å; E156-I404 PolarHBondContact N-O 2.84Å; E156-I404 PolarHBondContact O-N 3.49Å; T394-I404 HydrophobicContact CG2-CG2 4.35Å; T394-I404 WeakPolarHBondContact O-CD1 3.28Å; T394-I404 WeakPolarHBondContact OG1-CG2 3.42Å; K398-I404 HydrophobicContact CG-CD1 3.95Å; I404-F434 HydrophobicContact CB-CB 4.41Å; I404-F434 HydrophobicContact CG1-CB 4.06Å; I404-F434 HydrophobicContact CG2-CB 4.33Å
405	F	98.4	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103	176.9	-60	-71.2	0	0	0	109.5	A155 I169 P403 V418 L421 A422 V433 F434 I435 D436	A155-F405 HydrophobicContact CB-CD1 3.96Å; A155-F405 HydrophobicContact CB-CE1 4.08Å; I169-F405 HydrophobicContact CD1-CZ 4.43Å; I169-F405 HydrophobicContact CG2-CE1 4.33Å; I169-F405 HydrophobicContact CG2-CZ 4.45Å; P403-F405 HydrophobicContact CB-CE2 4.06Å; P403-F405 HydrophobicContact CB-CZ 4.12Å; P403-F405 HydrophobicContact CG-CE2 4.35Å; F405-V418 HydrophobicContact CB-CG1 3.44Å; F405-V418 VanDerWaalsContact CB-CG1 3.44Å; F405-V418 HydrophobicContact CB-CG2 4.35Å; F405-V418 HydrophobicContact CG-CG1 4.14Å; F405-L421 HydrophobicContact CD1-CD2 4.09Å; F405-L421 HydrophobicContact CE1-CD2 3.54Å; F405-L421 HydrophobicContact CE1-CG 4.33Å; F405-L421 HydrophobicContact CE2-CD2 4.35Å; F405-L421 HydrophobicContact CE2-CG 4.35Å; F405-L421 HydrophobicContact CZ-CD2 3.69Å; F405-L421 HydrophobicContact CZ-CG 3.97Å; F405-A422 HydrophobicContact CD2-CB 4.49Å; F405-V433 HydrophobicContact CD2-CG2 3.9Å; F405-V433 HydrophobicContact CE2-CG2 3.79Å; F405-F434 PolarHBondContact N-O 2.91Å; F405-I435 WeakPolarHBondContact O-CA 3.38Å; F405-D436 PolarHBondContact O-N 3.22Å
406	H	98.4	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.5	171.2	-44	-87.8	0	0	0	109	H104 L109 I153 G154 E156 Y392 D436	H104-H406 AromaticContact ND1-NE2 3.66Å; L109-H406 HydrophobicContact CD1-CB 3.59Å; L109-H406 HydrophobicContact CD2-CB 3.57Å; L109-H406 HydrophobicContact CG-CB 4.2Å; I153-H406 CarbonylContact C-O 3.51Å; I153-H406 WeakPolarHBondContact CA-O 3.11Å; G154-H406 PolarHBondContact N-O 3.42Å; G154-H406 PolarHBondContact O-CD2 3.37Å; G154-H406 VanDerWaalsContact O-CD2 3.29Å; G154-H406 PolarHBondContact O-N 3.36Å; E156-H406 IonicContact OE2-NE2 3.86Å; Y392-H406 AromaticContact CD1-CE1 3.24Å; Y392-H406 WeakPolarHBondContact CD1-CE1 3.14Å; Y392-H406 AromaticContact CD1-ND1 3.54Å; Y392-H406 AromaticContact CD2-CE1 3.87Å; Y392-H406 AromaticContact CE1-CE1 3.58Å; Y392-H406 AromaticContact CE1-ND1 3.8Å; Y392-H406 AromaticContact CE1-NE2 3.94Å; Y392-H406 AromaticContact CG-CE1 3.39Å; Y392-H406 AromaticContact CZ-NE2 3.99Å; H406-D436 WeakPolarHBondContact CA-O 3.5Å; H406-D436 HydrophobicContact CB-CB 4.33Å; H406-D436 IonicContact CE1-OD2 2.75Å; H406-D436 IonicContact CG-OD2 3.85Å; H406-D436 IonicContact ND1-OD2 3.64Å; H406-D436 PolarHBondContact ND1-OD2 2.7Å
407	V	98	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.2	-177.2	65.6	0	0	0	0	112.2	P152 I153 A414 V415 V418 I435 D436 L437 V438	P152-V407 WeakPolarHBondContact O-CA 3.46Å; I153-V407 HydrophobicContact CG1-CG2 4.23Å; V407-A414 HydrophobicContact CG2-CB 3.9Å; V407-V415 HydrophobicContact CG1-CG2 4.07Å; V407-V415 HydrophobicContact CG2-CB 4.46Å; V407-V415 HydrophobicContact CG2-CG2 3.76Å; V407-V418 HydrophobicContact CB-CG2 4.23Å; V407-V418 HydrophobicContact CG1-CG1 4.48Å; V407-V418 HydrophobicContact CG2-CG2 4.22Å; V407-I435 HydrophobicContact CG1-CG2 3.89Å; V407-D436 PolarHBondContact N-O 3.28Å; V407-L437 HydrophobicContact CG1-CD1 4.08Å; V407-V438 PolarHBondContact O-N 3.48Å
408	N	97.8	Very high	97	Very high	10 Å²	10	17 Å²	17	5%	0.053	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.9	180	-170.9	-37.3	0	0	0	110.9	N108 L109 P111 P152 D410 D411	N108-N408 PolarHBondContact O-ND2 3.27Å; L109-N408 WeakPolarHBondContact O-CA 3.43Å; L109-N408 WeakPolarHBondContact O-CB 3.3Å; L109-N408 VanDerWaalsContact O-CG 3.27Å; L109-N408 PolarHBondContact O-ND2 3.36Å; P111-N408 WeakPolarHBondContact CG-OD1 3.32Å; P152-N408 HydrophobicContact CB-CB 4.04Å; P152-N408 PolarHBondContact O-N 2.88Å; N408-D410 PolarHBondContact O-N 3.23Å; N408-D410 PolarHBondContact OD1-N 2.9Å; N408-D411 PolarHBondContact O-N 3.49Å
409	A	97.3	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.6	-177.2	0	0	0	0	0	115.1	P111 A219 D411 L437 V438 C439	P111-A409 HydrophobicContact CG-CB 4.49Å; A219-A409 HydrophobicContact CB-CB 4.27Å; A219-A409 WeakPolarHBondContact CB-O 3.5Å; A409-D411 VanDerWaalsContact C-N 3.33Å; A409-L437 HydrophobicContact CB-CD1 3.82Å; A409-L437 HydrophobicContact CB-CG 4.33Å; A409-V438 VanDerWaalsContact CB-O 3.28Å; A409-V438 WeakPolarHBondContact CB-O 3.32Å; A409-V438 PolarHBondContact N-O 2.82Å; A409-C439 HydrophobicContact CB-CB 3.68Å
410	D	96.5	Very high	96.9	Very high	24 Å²	24	12.8 Å²	12.8	13%	0.128	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.1	174.4	-77.7	-10.5	0	0	0	113.5	P111 N408 P412 H465 I471	P111-D410 HydrophobicContact CB-CB 4.48Å; P111-D410 WeakPolarHBondContact CB-OD2 3.29Å; N408-D410 PolarHBondContact O-N 3.23Å; N408-D410 PolarHBondContact OD1-N 2.9Å; D410-P412 WeakPolarHBondContact O-CD 3.35Å; D410-H465 IonicContact OD2-CD2 3.75Å; D410-H465 IonicContact OD2-CE1 2.6Å; D410-H465 PolarHBondContact OD2-CE1 3.36Å; D410-H465 IonicContact OD2-NE2 2.73Å; D410-H465 PolarHBondContact OD2-NE2 3.49Å; D410-I471 HydrophobicContact CB-CD1 3.95Å; D410-I471 WeakPolarHBondContact OD1-CD1 3.23Å; D410-I471 WeakPolarHBondContact OD2-CD1 3.34Å
411	D	95.4	Very high	96.9	Very high	30 Å²	30	11.4 Å²	11.4	16%	0.16	5%	0.054	C	C	.	.			trans	-115.4	87.9	168.4	-171.2	-3.7	0	0	0	111.9	P152 N408 A409 E413 A414 V415 K475	P152-D411 HydrophobicContact CB-CB 4.08Å; P152-D411 HydrophobicContact CG-CB 4.39Å; P152-D411 WeakPolarHBondContact CG-OD2 3.46Å; N408-D411 PolarHBondContact O-N 3.49Å; A409-D411 VanDerWaalsContact C-N 3.33Å; D411-E413 PolarHBondContact O-N 3.27Å; D411-E413 PolarHBondContact OD1-N 2.97Å; D411-A414 HydrophobicContact CB-CB 3.85Å; D411-A414 WeakPolarHBondContact O-CB 3.17Å; D411-A414 PolarHBondContact O-N 3.38Å; D411-A414 VanDerWaalsContact O-N 3.14Å; D411-A414 PolarHBondContact OD1-N 3.46Å; D411-A414 WeakPolarHBondContact OD2-CB 3.38Å; D411-V415 PolarHBondContact O-N 3.21Å; D411-K475 IonicContact OD1-NZ 3.74Å
412	P	93.8	Very high	97	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.006	4%	0.039	C	C	.	.	H	α-helix	trans	-58.5	-25.3	178.5	-27	36.2	0	0	0	114.9	L192 D410 A416 Y472	L192-P412 HydrophobicContact CD1-CB 4Å; L192-P412 HydrophobicContact CD1-CG 3.47Å; L192-P412 VanDerWaalsContact CD1-CG 3.47Å; D410-P412 WeakPolarHBondContact O-CD 3.35Å; P412-A416 WeakPolarHBondContact O-CB 3.39Å; P412-A416 PolarHBondContact O-N 3.47Å; P412-Y472 HydrophobicContact CB-CD2 4.22Å; P412-Y472 HydrophobicContact CB-CE2 4.21Å; P412-Y472 HydrophobicContact CB-CG 4.39Å; P412-Y472 HydrophobicContact CG-CD1 4.21Å; P412-Y472 HydrophobicContact CG-CD2 3.77Å; P412-Y472 HydrophobicContact CG-CE2 4.26Å; P412-Y472 HydrophobicContact CG-CG 3.75Å
413	E	94.9	Very high	97	Very high	25 Å²	25	8.3 Å²	8.3	12%	0.117	4%	0.039	C	C	.	.	H	α-helix	trans	-77.2	-40	176.5	-72.4	172.6	-116.8	0	0	111.1	F180 K185 D411 V415 A416 F417 Y472 K475	F180-E413 HydrophobicContact CD2-CB 3.9Å; F180-E413 HydrophobicContact CD2-CG 3.89Å; F180-E413 HydrophobicContact CE2-CB 4.09Å; F180-E413 VanDerWaalsContact CE2-O 3.26Å; F180-E413 WeakPolarHBondContact CE2-O 3.2Å; K185-E413 WeakPolarHBondContact CE-OE2 3.4Å; K185-E413 IonicContact NZ-OE1 3.74Å; K185-E413 PolarHBondContact NZ-OE1 3.2Å; K185-E413 IonicContact NZ-OE2 3.28Å; K185-E413 PolarHBondContact NZ-OE2 3.05Å; D411-E413 PolarHBondContact O-N 3.27Å; D411-E413 PolarHBondContact OD1-N 2.97Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 2.92Å; E413-A416 PolarHBondContact O-N 3.31Å; E413-F417 WeakPolarHBondContact O-CB 3.44Å; E413-F417 PolarHBondContact O-N 2.99Å; E413-Y472 HydrophobicContact CG-CE2 4.03Å; E413-Y472 WeakPolarHBondContact OE1-CE2 3.33Å; E413-K475 IonicContact OE1-NZ 3.67Å; E413-K475 PolarHBondContact OE1-NZ 2.72Å; E413-K475 IonicContact OE2-NZ 2.67Å
414	A	95.3	Very high	96.9	Very high	3 Å²	3	9.8 Å²	9.8	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-42.4	169.9	0	0	0	0	0	111.2	P152 I153 V407 D411 F417 V418	P152-A414 HydrophobicContact CB-CB 4.19Å; P152-A414 HydrophobicContact CG-CB 4.07Å; I153-A414 HydrophobicContact CD1-CB 3.99Å; I153-A414 HydrophobicContact CG1-CB 3.79Å; V407-A414 HydrophobicContact CG2-CB 3.9Å; D411-A414 HydrophobicContact CB-CB 3.85Å; D411-A414 WeakPolarHBondContact O-CB 3.17Å; D411-A414 PolarHBondContact O-N 3.38Å; D411-A414 VanDerWaalsContact O-N 3.14Å; D411-A414 PolarHBondContact OD1-N 3.46Å; D411-A414 WeakPolarHBondContact OD2-CB 3.38Å; A414-F417 PolarHBondContact O-N 2.9Å; A414-V418 WeakPolarHBondContact O-CB 3.33Å; A414-V418 WeakPolarHBondContact O-CG2 3.31Å; A414-V418 PolarHBondContact O-N 3.06Å
415	V	96.9	Very high	96.9	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-59.5	-49.9	173.9	166.5	0	0	0	0	111.8	A219 M223 V407 D411 E413 F417 V418 T419 L437	A219-V415 HydrophobicContact CB-CG1 4.44Å; A219-V415 HydrophobicContact CB-CG2 4.21Å; M223-V415 HydrophobicContact CB-CG1 3.73Å; M223-V415 HydrophobicContact CE-CG1 3.64Å; M223-V415 HydrophobicContact CG-CG1 4.35Å; V407-V415 HydrophobicContact CG1-CG2 4.07Å; V407-V415 HydrophobicContact CG2-CB 4.46Å; V407-V415 HydrophobicContact CG2-CG2 3.76Å; D411-V415 PolarHBondContact O-N 3.21Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 2.92Å; V415-F417 VanDerWaalsContact C-N 3.33Å; V415-F417 PolarHBondContact O-N 2.94Å; V415-V418 PolarHBondContact O-N 3.15Å; V415-T419 WeakPolarHBondContact O-CB 3.46Å; V415-T419 PolarHBondContact O-N 3.15Å; V415-T419 PolarHBondContact O-OG1 3.29Å; V415-L437 HydrophobicContact CG2-CD1 3.79Å
416	A	96.5	Very high	96.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.6	-36.3	178.2	0	0	0	0	0	112.6	F180 F188 E226 P412 E413 T419 R420	F180-A416 HydrophobicContact CE1-CB 3.84Å; F180-A416 HydrophobicContact CE2-CB 4.14Å; F180-A416 HydrophobicContact CZ-CB 3.52Å; F188-A416 HydrophobicContact CE1-CB 4Å; F188-A416 HydrophobicContact CE2-CB 3.74Å; F188-A416 HydrophobicContact CZ-CB 3.43Å; F188-A416 VanDerWaalsContact CZ-CB 3.43Å; E226-A416 HydrophobicContact CG-CB 4.35Å; P412-A416 WeakPolarHBondContact O-CB 3.39Å; P412-A416 PolarHBondContact O-N 3.47Å; E413-A416 PolarHBondContact O-N 3.31Å; A416-T419 WeakPolarHBondContact O-CB 3.29Å; A416-T419 PolarHBondContact O-N 2.82Å; A416-R420 PolarHBondContact O-N 2.78Å
417	F	96.2	Very high	96.8	Very high	22 Å²	22	10.4 Å²	10.4	10%	0.096	5%	0.05	C	C	.	.	H	α-helix	trans	-66.1	-48.4	176.1	174.6	-96.3	0	0	0	111.7	I153 I173 A178 F180 E413 A414 V415 T419 R420 L421	I153-F417 HydrophobicContact CD1-CD1 3.72Å; I153-F417 HydrophobicContact CD1-CE1 4.26Å; I173-F417 HydrophobicContact CG2-CE1 4.31Å; I173-F417 HydrophobicContact CG2-CZ 4.44Å; A178-F417 HydrophobicContact CB-CD2 3.87Å; A178-F417 HydrophobicContact CB-CE2 4.1Å; F180-F417 HydrophobicContact CE2-CB 4.17Å; F180-F417 HydrophobicContact CZ-CB 4.18Å; E413-F417 WeakPolarHBondContact O-CB 3.44Å; E413-F417 PolarHBondContact O-N 2.99Å; A414-F417 PolarHBondContact O-N 2.9Å; V415-F417 VanDerWaalsContact C-N 3.33Å; V415-F417 PolarHBondContact O-N 2.94Å; F417-T419 VanDerWaalsContact C-N 3.26Å; F417-T419 PolarHBondContact O-N 3.46Å; F417-R420 PolarHBondContact O-N 2.92Å; F417-L421 HydrophobicContact CE1-CD2 4.28Å; F417-L421 WeakPolarHBondContact O-CB 3.44Å; F417-L421 PolarHBondContact O-N 2.86Å
418	V	96.9	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.1	-36.9	175.1	167.5	0	0	0	0	111.4	I153 F405 V407 A414 V415 L421 A422 I435	I153-V418 HydrophobicContact CD1-CG2 3.88Å; I153-V418 HydrophobicContact CG1-CG2 3.96Å; I153-V418 HydrophobicContact CG2-CG2 3.77Å; F405-V418 HydrophobicContact CB-CG1 3.44Å; F405-V418 VanDerWaalsContact CB-CG1 3.44Å; F405-V418 HydrophobicContact CB-CG2 4.35Å; F405-V418 HydrophobicContact CG-CG1 4.14Å; V407-V418 HydrophobicContact CB-CG2 4.23Å; V407-V418 HydrophobicContact CG1-CG1 4.48Å; V407-V418 HydrophobicContact CG2-CG2 4.22Å; A414-V418 WeakPolarHBondContact O-CB 3.33Å; A414-V418 WeakPolarHBondContact O-CG2 3.31Å; A414-V418 PolarHBondContact O-N 3.06Å; V415-V418 PolarHBondContact O-N 3.15Å; V418-L421 PolarHBondContact O-N 2.87Å; V418-A422 VanDerWaalsContact O-CB 3.29Å; V418-A422 WeakPolarHBondContact O-CB 3.19Å; V418-A422 PolarHBondContact O-N 2.96Å; V418-I435 HydrophobicContact CG1-CB 4.48Å; V418-I435 HydrophobicContact CG1-CD1 4.25Å; V418-I435 HydrophobicContact CG1-CG1 4.01Å; V418-I435 HydrophobicContact CG1-CG2 3.85Å
419	T	97.5	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-52.3	175.5	-59.4	0	0	0	0	111.9	M223 M227 V415 A416 F417 A422 L423	M223-T419 HydrophobicContact CG-CG2 4.46Å; M223-T419 WeakPolarHBondContact CG-OG1 3.25Å; M223-T419 WeakPolarHBondContact O-CG2 3.24Å; M227-T419 HydrophobicContact CB-CG2 3.59Å; M227-T419 HydrophobicContact CE-CG2 3.88Å; M227-T419 HydrophobicContact CG-CG2 4.09Å; V415-T419 WeakPolarHBondContact O-CB 3.46Å; V415-T419 PolarHBondContact O-N 3.15Å; V415-T419 PolarHBondContact O-OG1 3.29Å; A416-T419 WeakPolarHBondContact O-CB 3.29Å; A416-T419 PolarHBondContact O-N 2.82Å; F417-T419 VanDerWaalsContact C-N 3.26Å; F417-T419 PolarHBondContact O-N 3.46Å; T419-A422 PolarHBondContact O-N 3.09Å; T419-L423 PolarHBondContact O-N 3.11Å; T419-L423 VanDerWaalsContact O-N 3.11Å
420	R	96.7	Very high	96.7	Very high	55 Å²	55	18.3 Å²	18.3	21%	0.208	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-43.1	176.5	-70.8	-179.6	174.2	178.6	-6.3	111.3	E184 E226 H230 A416 F417 L423 D424	E184-R420 IonicContact OE1-CZ 3.94Å; E184-R420 VanDerWaalsContact OE1-CZ 3.28Å; E184-R420 IonicContact OE1-NH1 3.25Å; E184-R420 PolarHBondContact OE1-NH1 3.27Å; E184-R420 IonicContact OE1-NH2 3.65Å; E184-R420 PolarHBondContact OE1-NH2 3.25Å; E226-R420 IonicContact OE1-CZ 2.69Å; E226-R420 VanDerWaalsContact OE1-CZ 3.25Å; E226-R420 IonicContact OE1-NE 3.39Å; E226-R420 PolarHBondContact OE1-NE 3.23Å; E226-R420 IonicContact OE1-NH2 3.44Å; E226-R420 PolarHBondContact OE1-NH2 3.2Å; H230-R420 HydrophobicContact CB-CG 4.46Å; A416-R420 PolarHBondContact O-N 2.78Å; F417-R420 PolarHBondContact O-N 2.92Å; R420-L423 PolarHBondContact O-N 3.22Å; R420-D424 VanDerWaalsContact O-CB 3.29Å; R420-D424 WeakPolarHBondContact O-CB 3.26Å; R420-D424 PolarHBondContact O-N 3.34Å
421	L	96.5	Very high	96.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-45.1	178.7	-179.8	62.6	0	0	0	112.9	W168 R172 I173 F405 F417 V418 F425	W168-L421 HydrophobicContact CH2-CD1 4Å; W168-L421 HydrophobicContact CZ3-CD1 3.63Å; R172-L421 HydrophobicContact CB-CD1 3.52Å; R172-L421 HydrophobicContact CG-CD1 4Å; I173-L421 HydrophobicContact CG2-CD2 3.68Å; F405-L421 HydrophobicContact CD1-CD2 4.09Å; F405-L421 HydrophobicContact CE1-CD2 3.54Å; F405-L421 HydrophobicContact CE1-CG 4.33Å; F405-L421 HydrophobicContact CE2-CD2 4.35Å; F405-L421 HydrophobicContact CE2-CG 4.35Å; F405-L421 HydrophobicContact CZ-CD2 3.69Å; F405-L421 HydrophobicContact CZ-CG 3.97Å; F417-L421 HydrophobicContact CE1-CD2 4.28Å; F417-L421 WeakPolarHBondContact O-CB 3.44Å; F417-L421 PolarHBondContact O-N 2.86Å; V418-L421 PolarHBondContact O-N 2.87Å; L421-F425 WeakPolarHBondContact O-CB 3.39Å; L421-F425 PolarHBondContact O-N 3.34Å
422	A	98	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.4	-45.6	179.5	0	0	0	0	0	111.7	V369 F405 V418 T419 F425 R426 V433 I435	V369-A422 HydrophobicContact CG1-CB 4.44Å; F405-A422 HydrophobicContact CD2-CB 4.49Å; V418-A422 VanDerWaalsContact O-CB 3.29Å; V418-A422 WeakPolarHBondContact O-CB 3.19Å; V418-A422 PolarHBondContact O-N 2.96Å; T419-A422 PolarHBondContact O-N 3.09Å; A422-F425 PolarHBondContact O-N 2.97Å; A422-R426 PolarHBondContact O-N 2.97Å; A422-V433 HydrophobicContact CB-CG1 4.02Å; A422-V433 HydrophobicContact CB-CG2 3.66Å; A422-I435 HydrophobicContact CB-CD1 3.86Å; A422-I435 HydrophobicContact CB-CG1 3.99Å
423	L	98	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.8	-40	178	-178.9	54.4	0	0	0	111.9	M227 H230 A231 L335 V369 T419 R420 F425 R426 N427	M227-L423 HydrophobicContact CG-CD2 3.92Å; M227-L423 WeakPolarHBondContact O-CD2 3.35Å; H230-L423 HydrophobicContact CB-CD2 4.16Å; A231-L423 HydrophobicContact CB-CD2 3.78Å; L335-L423 HydrophobicContact CD1-CD1 3.71Å; L335-L423 HydrophobicContact CD2-CD1 3.81Å; L335-L423 HydrophobicContact CD2-CD2 4.38Å; L335-L423 HydrophobicContact CG-CD1 4.43Å; V369-L423 HydrophobicContact CG2-CD1 4.43Å; T419-L423 PolarHBondContact O-N 3.11Å; T419-L423 VanDerWaalsContact O-N 3.11Å; R420-L423 PolarHBondContact O-N 3.22Å; L423-F425 PolarHBondContact O-N 2.86Å; L423-R426 PolarHBondContact O-N 2.93Å; L423-N427 VanDerWaalsContact O-CB 3.26Å; L423-N427 WeakPolarHBondContact O-CB 3.46Å; L423-N427 PolarHBondContact O-N 3.17Å
424	D	97.3	Very high	97.3	Very high	30 Å²	30	15.9 Å²	15.9	16%	0.16	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-41.6	171.9	-88.2	6.6	0	0	0	111.9	W168 R172 H230 R420 T428	W168-D424 HydrophobicContact CH2-CB 3.62Å; W168-D424 HydrophobicContact CZ2-CB 3.81Å; R172-D424 IonicContact CZ-OD2 2.65Å; R172-D424 IonicContact NH1-OD2 3.28Å; R172-D424 PolarHBondContact NH1-OD2 2.81Å; R172-D424 IonicContact NH2-OD2 3.05Å; R172-D424 PolarHBondContact NH2-OD2 3.08Å; H230-D424 IonicContact CD2-OD1 3.19Å; H230-D424 IonicContact CE1-OD1 3.38Å; H230-D424 IonicContact NE2-OD1 2.72Å; H230-D424 PolarHBondContact NE2-OD1 2.88Å; R420-D424 VanDerWaalsContact O-CB 3.29Å; R420-D424 WeakPolarHBondContact O-CB 3.26Å; R420-D424 PolarHBondContact O-N 3.34Å; D424-T428 VanDerWaalsContact O-CB 3.25Å; D424-T428 WeakPolarHBondContact O-CB 3.27Å; D424-T428 PolarHBondContact O-N 2.92Å; D424-T428 PolarHBondContact O-OG1 3.3Å
425	F	98.2	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.2	-50.3	175.6	175.9	-87.7	0	0	0	110.9	E165 W168 I169 P403 L421 A422 L423 N427 T428 F429 R431 V433	E165-F425 HydrophobicContact CB-CE2 4.19Å; E165-F425 HydrophobicContact CG-CE2 4.03Å; E165-F425 HydrophobicContact CG-CZ 4.41Å; E165-F425 WeakPolarHBondContact OE2-CZ 3.41Å; W168-F425 HydrophobicContact CE3-CD2 4.35Å; W168-F425 HydrophobicContact CH2-CB 4.04Å; W168-F425 HydrophobicContact CZ3-CB 3.88Å; W168-F425 HydrophobicContact CZ3-CD2 4.27Å; I169-F425 HydrophobicContact CD1-CD2 4.09Å; I169-F425 HydrophobicContact CD1-CE2 4.06Å; I169-F425 HydrophobicContact CG1-CD2 4.25Å; P403-F425 HydrophobicContact CG-CD1 3.76Å; P403-F425 HydrophobicContact CG-CD2 4.11Å; P403-F425 HydrophobicContact CG-CE1 3.49Å; P403-F425 VanDerWaalsContact CG-CE1 3.49Å; P403-F425 HydrophobicContact CG-CE2 3.86Å; P403-F425 HydrophobicContact CG-CG 4.08Å; P403-F425 HydrophobicContact CG-CZ 3.56Å; L421-F425 WeakPolarHBondContact O-CB 3.39Å; L421-F425 PolarHBondContact O-N 3.34Å; A422-F425 PolarHBondContact O-N 2.97Å; L423-F425 PolarHBondContact O-N 2.86Å; F425-N427 PolarHBondContact O-N 3.19Å; F425-T428 PolarHBondContact O-N 3.22Å; F425-F429 AromaticContact CD2-CD2 3.45Å; F425-F429 HydrophobicContact CD2-CD2 3.45Å; F425-F429 VanDerWaalsContact CD2-CD2 3.45Å; F425-F429 AromaticContact CD2-CE2 3.88Å; F425-F429 HydrophobicContact CD2-CE2 3.88Å; F425-F429 HydrophobicContact CE2-CB 4.45Å; F425-F429 AromaticContact CE2-CD2 3.46Å; F425-F429 HydrophobicContact CE2-CD2 3.46Å; F425-F429 VanDerWaalsContact CE2-CD2 3.46Å; F425-F429 HydrophobicContact CE2-CE2 4.02Å; F425-F429 HydrophobicContact CE2-CG 4.19Å; F425-F429 HydrophobicContact CG-CD2 4.09Å; F425-F429 HydrophobicContact CZ-CB 4.28Å; F425-F429 HydrophobicContact CZ-CD2 4.13Å; F425-F429 HydrophobicContact CZ-CG 4.5Å; F425-F429 PolarHBondContact O-N 3.15Å; F425-R431 HydrophobicContact CE1-CB 4.16Å; F425-V433 HydrophobicContact CD1-CB 4.05Å
426	R	98	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.3	-48.4	177.9	-179.2	-88	-179.6	-177.5	-2.5	111.1	S331 V334 V365 G366 G367 V369 A422 L423 T428 K430 V433	S331-R426 VanDerWaalsContact O-CZ 3.29Å; S331-R426 PolarHBondContact O-NH1 3.25Å; S331-R426 PolarHBondContact O-NH2 2.75Å; V334-R426 PolarHBondContact O-NH2 3.34Å; V365-R426 PolarHBondContact O-NH2 2.97Å; G366-R426 PolarHBondContact O-NE 2.9Å; G366-R426 VanDerWaalsContact O-NE 3.09Å; G367-R426 PolarHBondContact O-NE 2.72Å; G367-R426 PolarHBondContact O-NH2 3.04Å; V369-R426 HydrophobicContact CG2-CB 4.14Å; V369-R426 HydrophobicContact CG2-CG 4.23Å; A422-R426 PolarHBondContact O-N 2.97Å; L423-R426 PolarHBondContact O-N 2.93Å; R426-T428 VanDerWaalsContact C-N 3.26Å; R426-T428 PolarHBondContact O-N 3.17Å; R426-K430 VanDerWaalsContact O-CA 3.24Å; R426-K430 WeakPolarHBondContact O-CA 3.37Å; R426-K430 PolarHBondContact O-N 2.9Å; R426-V433 HydrophobicContact CB-CG1 4.16Å
427	N	97.2	Very high	97.7	Very high	14 Å²	14	15.7 Å²	15.7	8%	0.075	7%	0.074	C	C	.	.	H	α-helix	trans	-70.6	-19.8	-178.9	-78.2	-6.7	0	0	0	113.2	S234 N332 L423 F425 K430	S234-N427 PolarHBondContact OG-ND2 3.34Å; S234-N427 VanDerWaalsContact OG-ND2 3.11Å; N332-N427 PolarHBondContact ND2-O 3.43Å; N332-N427 PolarHBondContact OD1-O 2.95Å; N332-N427 PolarHBondContact OD1-OD1 3.26Å; L423-N427 VanDerWaalsContact O-CB 3.26Å; L423-N427 WeakPolarHBondContact O-CB 3.46Å; L423-N427 PolarHBondContact O-N 3.17Å; F425-N427 PolarHBondContact O-N 3.19Å; N427-K430 PolarHBondContact O-NZ 3.47Å
428	T	97	Very high	97.8	Very high	66 Å²	66	14.7 Å²	14.7	41%	0.405	7%	0.07	S	C	.	.	H	α-helix	trans	-84.4	-63.9	171.8	-55.4	0	0	0	0	111.3	D424 F425 R426	D424-T428 VanDerWaalsContact O-CB 3.25Å; D424-T428 WeakPolarHBondContact O-CB 3.27Å; D424-T428 PolarHBondContact O-N 2.92Å; D424-T428 PolarHBondContact O-OG1 3.3Å; F425-T428 PolarHBondContact O-N 3.22Å; R426-T428 VanDerWaalsContact C-N 3.26Å; R426-T428 PolarHBondContact O-N 3.17Å
429	F	97.4	Very high	97.8	Very high	34 Å²	34	14.7 Å²	14.7	15%	0.149	7%	0.07	C	C	.	.	H	α-helix	trans	-92.3	-3.8	-167.9	-60	-71.4	0	0	0	115.1	E164 E165 W168 F425 R431	E164-F429 HydrophobicContact CG-CE1 4.11Å; E165-F429 HydrophobicContact CB-CZ 4.49Å; E165-F429 HydrophobicContact CG-CD1 3.65Å; E165-F429 HydrophobicContact CG-CD2 4.02Å; E165-F429 HydrophobicContact CG-CE1 3.76Å; E165-F429 HydrophobicContact CG-CE2 4.1Å; E165-F429 HydrophobicContact CG-CG 3.79Å; E165-F429 HydrophobicContact CG-CZ 3.97Å; W168-F429 HydrophobicContact CB-CE2 3.94Å; W168-F429 HydrophobicContact CB-CZ 3.69Å; W168-F429 AromaticContact CD1-CE2 3.93Å; W168-F429 AromaticContact CD1-CZ 3.76Å; W168-F429 AromaticContact CD2-CE2 3.67Å; W168-F429 HydrophobicContact CD2-CE2 3.67Å; W168-F429 HydrophobicContact CD2-CZ 4.22Å; W168-F429 HydrophobicContact CE3-CE2 4.07Å; W168-F429 AromaticContact CG-CE2 3.61Å; W168-F429 HydrophobicContact CG-CE2 3.61Å; W168-F429 AromaticContact CG-CZ 3.64Å; W168-F429 HydrophobicContact CG-CZ 3.64Å; F425-F429 AromaticContact CD2-CD2 3.45Å; F425-F429 HydrophobicContact CD2-CD2 3.45Å; F425-F429 VanDerWaalsContact CD2-CD2 3.45Å; F425-F429 AromaticContact CD2-CE2 3.88Å; F425-F429 HydrophobicContact CD2-CE2 3.88Å; F425-F429 HydrophobicContact CE2-CB 4.45Å; F425-F429 AromaticContact CE2-CD2 3.46Å; F425-F429 HydrophobicContact CE2-CD2 3.46Å; F425-F429 VanDerWaalsContact CE2-CD2 3.46Å; F425-F429 HydrophobicContact CE2-CE2 4.02Å; F425-F429 HydrophobicContact CE2-CG 4.19Å; F425-F429 HydrophobicContact CG-CD2 4.09Å; F425-F429 HydrophobicContact CZ-CB 4.28Å; F425-F429 HydrophobicContact CZ-CD2 4.13Å; F425-F429 HydrophobicContact CZ-CG 4.5Å; F425-F429 PolarHBondContact O-N 3.15Å; F429-R431 VanDerWaalsContact C-N 3.32Å; F429-R431 PolarHBondContact O-N 3.31Å
430	K	97.4	Very high	97.8	Very high	75 Å²	75	14.8 Å²	14.8	33%	0.326	7%	0.07	S	C	.	.			trans	59.8	34.6	177.8	-45.4	-48.3	-169.5	-164.9	0	114.3	N332 G366 G367 R426 N427	N332-K430 PolarHBondContact ND2-NZ 2.73Å; N332-K430 PolarHBondContact OD1-NZ 2.93Å; G366-K430 CarbonylContact C-O 3.54Å; G366-K430 WeakPolarHBondContact CA-O 3.18Å; G366-K430 CarbonylContact O-C 3.6Å; G366-K430 VanDerWaalsContact O-C 3.28Å; G366-K430 VanDerWaalsContact O-CA 3.29Å; G366-K430 WeakPolarHBondContact O-CA 3.41Å; G367-K430 PolarHBondContact N-O 2.83Å; R426-K430 VanDerWaalsContact O-CA 3.24Å; R426-K430 WeakPolarHBondContact O-CA 3.37Å; R426-K430 PolarHBondContact O-N 2.9Å; N427-K430 PolarHBondContact O-NZ 3.47Å
431	R	97.3	Very high	97.8	Very high	26 Å²	26	12.4 Å²	12.4	10%	0.098	6%	0.061	C	C	.	.			trans	-128.1	156.6	-174.5	-73.1	178.7	64.4	-137.3	-17.8	112.3	E165 K359 G367 V400 Q401 F425 F429	E165-R431 IonicContact OE1-CZ 3.96Å; E165-R431 IonicContact OE1-NH1 3.52Å; E165-R431 PolarHBondContact OE1-NH1 2.97Å; E165-R431 IonicContact OE2-CZ 2.94Å; E165-R431 IonicContact OE2-NH1 3.22Å; E165-R431 PolarHBondContact OE2-NH1 2.99Å; K359-R431 HydrophobicContact CD-CG 4.36Å; G367-R431 VanDerWaalsContact CA-C 3.43Å; V400-R431 PolarHBondContact O-NH2 2.75Å; Q401-R431 PolarHBondContact O-NH2 2.84Å; F425-R431 HydrophobicContact CE1-CB 4.16Å; F429-R431 VanDerWaalsContact C-N 3.32Å; F429-R431 PolarHBondContact O-N 3.31Å
432	D	98.4	Very high	97.6	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.021	7%	0.068	C	C	.	.			trans	-60.4	147	175.1	-78.5	19.9	0	0	0	111.7	L355 G367 T368 R370 A402	L355-D432 WeakPolarHBondContact CD2-OD2 3.41Å; G367-D432 VanDerWaalsContact CA-OD1 3.31Å; G367-D432 WeakPolarHBondContact CA-OD1 3.31Å; T368-D432 PolarHBondContact N-OD1 2.79Å; T368-D432 WeakPolarHBondContact O-CA 3.3Å; R370-D432 IonicContact CZ-OD2 2.7Å; R370-D432 IonicContact NE-OD2 3.53Å; R370-D432 PolarHBondContact NE-OD2 2.68Å; R370-D432 IonicContact NH2-OD2 3.25Å; R370-D432 PolarHBondContact NH2-OD2 3.27Å; A402-D432 WeakPolarHBondContact CB-O 3.5Å
433	V	98.6	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.9	178.8	52.8	0	0	0	0	109.5	T368 V369 R370 P403 F405 A422 F425 R426	T368-V433 PolarHBondContact O-N 3.43Å; T368-V433 VanDerWaalsContact O-N 3.14Å; V369-V433 HydrophobicContact CB-CG1 4.3Å; V369-V433 HydrophobicContact CG1-CG1 4.25Å; V369-V433 HydrophobicContact CG2-CG1 3.9Å; R370-V433 PolarHBondContact N-O 2.86Å; P403-V433 HydrophobicContact CG-CB 4.28Å; P403-V433 HydrophobicContact CG-CG2 4.02Å; F405-V433 HydrophobicContact CD2-CG2 3.9Å; F405-V433 HydrophobicContact CE2-CG2 3.79Å; A422-V433 HydrophobicContact CB-CG1 4.02Å; A422-V433 HydrophobicContact CB-CG2 3.66Å; F425-V433 HydrophobicContact CD1-CB 4.05Å; R426-V433 HydrophobicContact CB-CG1 4.16Å
434	F	98.7	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.7	-180	-77.4	-103.1	0	0	0	111.8	V345 L355 R370 V372 T394 I396 A402 P403 I404 F405	V345-F434 HydrophobicContact CG2-CE1 4.46Å; L355-F434 HydrophobicContact CD1-CZ 4.1Å; L355-F434 HydrophobicContact CD2-CE2 3.9Å; L355-F434 HydrophobicContact CD2-CZ 3.88Å; R370-F434 HydrophobicContact CB-CD1 3.91Å; R370-F434 HydrophobicContact CB-CE1 4.04Å; R370-F434 HydrophobicContact CB-CG 4.21Å; R370-F434 HydrophobicContact CB-CZ 4.41Å; R370-F434 CarbonylContact O-C 3.49Å; R370-F434 WeakPolarHBondContact O-CA 3.41Å; V372-F434 HydrophobicContact CG2-CD1 4.43Å; T394-F434 HydrophobicContact CG2-CB 4.27Å; T394-F434 HydrophobicContact CG2-CD1 3.82Å; T394-F434 HydrophobicContact CG2-CG 4.43Å; I396-F434 HydrophobicContact CG2-CE1 4.48Å; I396-F434 HydrophobicContact CG2-CZ 4.46Å; A402-F434 HydrophobicContact CB-CD2 3.85Å; A402-F434 HydrophobicContact CB-CE2 4.13Å; P403-F434 PolarHBondContact O-N 2.91Å; I404-F434 HydrophobicContact CB-CB 4.41Å; I404-F434 HydrophobicContact CG1-CB 4.06Å; I404-F434 HydrophobicContact CG2-CB 4.33Å; F405-F434 PolarHBondContact N-O 2.91Å
435	I	98.7	Very high	96.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.9	166	-54.6	176.2	0	0	0	107.1	M223 M227 V369 R370 I371 V372 F405 V407 V418 A422	M223-I435 HydrophobicContact CE-CG2 3.68Å; M223-I435 HydrophobicContact SD-CG2 4.47Å; M227-I435 HydrophobicContact CE-CD1 4.05Å; V369-I435 HydrophobicContact CG1-CD1 4.17Å; R370-I435 PolarHBondContact O-N 3.43Å; I371-I435 CarbonylContact C-O 3.15Å; I371-I435 WeakPolarHBondContact CA-O 3.26Å; I371-I435 HydrophobicContact CG1-CD1 4.48Å; V372-I435 PolarHBondContact N-O 3.28Å; F405-I435 WeakPolarHBondContact O-CA 3.38Å; V407-I435 HydrophobicContact CG1-CG2 3.89Å; V418-I435 HydrophobicContact CG1-CB 4.48Å; V418-I435 HydrophobicContact CG1-CD1 4.25Å; V418-I435 HydrophobicContact CG1-CG1 4.01Å; V418-I435 HydrophobicContact CG1-CG2 3.85Å; A422-I435 HydrophobicContact CB-CD1 3.86Å; A422-I435 HydrophobicContact CB-CG1 3.99Å
436	D	98.6	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	94.8	173.8	178.4	23.4	0	0	0	108.1	N374 T394 F405 H406 V407 V438	N374-D436 WeakPolarHBondContact CB-OD1 3.42Å; N374-D436 PolarHBondContact ND2-OD1 3.37Å; N374-D436 PolarHBondContact ND2-OD2 3.35Å; T394-D436 HydrophobicContact CG2-CB 3.82Å; F405-D436 PolarHBondContact O-N 3.22Å; H406-D436 WeakPolarHBondContact CA-O 3.5Å; H406-D436 HydrophobicContact CB-CB 4.33Å; H406-D436 IonicContact CE1-OD2 2.75Å; H406-D436 IonicContact CG-OD2 3.85Å; H406-D436 IonicContact ND1-OD2 3.64Å; H406-D436 PolarHBondContact ND1-OD2 2.7Å; V407-D436 PolarHBondContact N-O 3.28Å; D436-V438 PolarHBondContact O-N 3.08Å; D436-V438 VanDerWaalsContact O-N 3.13Å
437	L	98.5	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	89.5	-179.3	-179	60.6	0	0	0	108.7	A219 L220 M223 V372 N374 V407 A409 V415 C439	A219-L437 HydrophobicContact CB-CD1 4.37Å; L220-L437 HydrophobicContact CB-CD2 4.12Å; L220-L437 HydrophobicContact CD1-CD2 4.5Å; M223-L437 HydrophobicContact CE-CB 4.12Å; M223-L437 HydrophobicContact CE-CD1 3.89Å; M223-L437 HydrophobicContact CE-CD2 3.91Å; M223-L437 HydrophobicContact CE-CG 4.19Å; M223-L437 HydrophobicContact SD-CD2 4.48Å; V372-L437 WeakPolarHBondContact O-CB 3.37Å; V372-L437 PolarHBondContact O-N 3.34Å; N374-L437 PolarHBondContact N-O 3.22Å; V407-L437 HydrophobicContact CG1-CD1 4.08Å; A409-L437 HydrophobicContact CB-CD1 3.82Å; A409-L437 HydrophobicContact CB-CG 4.33Å; V415-L437 HydrophobicContact CG2-CD1 3.79Å; L437-C439 PolarHBondContact O-N 3.42Å; L437-C439 PolarHBondContact O-SG 3.11Å
438	V	98.2	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	111	-178.7	-171.6	0	0	0	0	108.5	L109 P111 W115 V407 A409 D436	L109-V438 HydrophobicContact CB-CB 4.44Å; L109-V438 HydrophobicContact CB-CG1 4.48Å; L109-V438 HydrophobicContact CB-CG2 4.21Å; L109-V438 WeakPolarHBondContact O-CB 3.31Å; L109-V438 WeakPolarHBondContact O-CG1 3.38Å; P111-V438 WeakPolarHBondContact CG-O 3.44Å; W115-V438 HydrophobicContact CH2-CB 4.45Å; W115-V438 HydrophobicContact CH2-CG1 3.63Å; W115-V438 HydrophobicContact CH2-CG2 3.91Å; W115-V438 HydrophobicContact CZ2-CG1 3.58Å; W115-V438 HydrophobicContact CZ3-CG1 4.47Å; V407-V438 PolarHBondContact O-N 3.48Å; A409-V438 VanDerWaalsContact CB-O 3.28Å; A409-V438 WeakPolarHBondContact CB-O 3.32Å; A409-V438 PolarHBondContact N-O 2.82Å; D436-V438 PolarHBondContact O-N 3.08Å; D436-V438 VanDerWaalsContact O-N 3.13Å
439	C	97.7	Very high	94.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.			trans	-137.8	-165.6	-169.2	57.4	0	0	0	0	110	G216 N374 N375 Q376 A409 L437	G216-C439 WeakPolarHBondContact O-CB 3.42Å; N374-C439 PolarHBondContact O-N 2.79Å; N374-C439 PolarHBondContact O-SG 3.48Å; N374-C439 VanDerWaalsContact O-SG 3.36Å; N375-C439 VanDerWaalsContact CA-SG 3.59Å; N375-C439 PolarHBondContact N-SG 3.08Å; N375-C439 VanDerWaalsContact N-SG 3.42Å; Q376-C439 PolarHBondContact NE2-O 3.08Å; A409-C439 HydrophobicContact CB-CB 3.68Å; L437-C439 PolarHBondContact O-N 3.42Å; L437-C439 PolarHBondContact O-SG 3.11Å
440	Y	97.4	Very high	94.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	14%	0.135	C	C	.	.			trans	-143.1	165.3	172.5	61.6	-88.3	0	0	0	111.3	P111 L112 G216 R442 I462 H465 P466	P111-Y440 HydrophobicContact CB-CD1 3.97Å; P111-Y440 HydrophobicContact CB-CE1 4.23Å; P111-Y440 HydrophobicContact CG-CD1 4.25Å; L112-Y440 HydrophobicContact CD1-CG 4.42Å; L112-Y440 HydrophobicContact CD2-CD1 3.9Å; L112-Y440 HydrophobicContact CD2-CD2 4.38Å; L112-Y440 HydrophobicContact CD2-CE1 4.47Å; L112-Y440 HydrophobicContact CD2-CG 3.86Å; L112-Y440 HydrophobicContact CG-CD1 4.29Å; L112-Y440 HydrophobicContact CG-CG 4.21Å; G216-Y440 CarbonylContact C-O 3.55Å; G216-Y440 VanDerWaalsContact CA-CZ 3.43Å; G216-Y440 VanDerWaalsContact CA-O 3.28Å; G216-Y440 WeakPolarHBondContact CA-O 3.45Å; G216-Y440 PolarHBondContact O-N 3.46Å; Y440-R442 HydrophobicContact CE2-CB 4.47Å; Y440-R442 PolarHBondContact OH-NH2 2.74Å; Y440-I462 HydrophobicContact CD2-CD1 4.36Å; Y440-I462 HydrophobicContact CD2-CG1 3.99Å; Y440-I462 HydrophobicContact CD2-CG2 4.04Å; Y440-I462 HydrophobicContact CE2-CG2 4.15Å; Y440-I462 HydrophobicContact CG-CG1 4.43Å; Y440-H465 AromaticContact CE1-CD2 3.67Å; Y440-H465 AromaticContact CZ-CD2 3.84Å; Y440-P466 PolarHBondContact OH-O 3.25Å
441	R	95.8	Very high	94.2	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.019	12%	0.122	C	C	.	.			trans	-104.5	103.6	179.3	-165	178.8	70.5	-161.4	8.6	110.3	N375 V377 F379 H443 G444 Y459	N375-R441 HydrophobicContact CB-CB 4.24Å; V377-R441 HydrophobicContact CG1-CB 4.18Å; V377-R441 PolarHBondContact O-NH1 2.65Å; F379-R441 PolarHBondContact O-NH1 3.01Å; F379-R441 PolarHBondContact O-NH2 2.74Å; R441-H443 VanDerWaalsContact C-N 3.28Å; R441-H443 PolarHBondContact NE-O 2.92Å; R441-H443 PolarHBondContact O-N 3.49Å; R441-G444 PolarHBondContact NE-O 3.09Å; R441-Y459 PolarHBondContact NE-OH 2.91Å; R441-Y459 PolarHBondContact NH2-OH 2.9Å; R441-Y459 WeakPolarHBondContact O-CE1 3.42Å; R441-Y459 PolarHBondContact O-OH 3.21Å; R441-Y459 VanDerWaalsContact O-OH 3.12Å
442	R	93.6	Very high	94	Very high	45 Å²	45	24.6 Å²	24.6	17%	0.17	14%	0.136	C	C	.	.	S	Bend	trans	-57.3	-35.8	-174.7	178	59.5	63.1	172.4	-3.4	114.3	E215 Y440 I462 H465 P466	E215-R442 HydrophobicContact CB-CB 3.52Å; E215-R442 HydrophobicContact CB-CG 3.91Å; E215-R442 WeakPolarHBondContact O-CB 3.4Å; E215-R442 PolarHBondContact O-N 2.82Å; Y440-R442 HydrophobicContact CE2-CB 4.47Å; Y440-R442 PolarHBondContact OH-NH2 2.74Å; R442-I462 PolarHBondContact NH1-O 2.99Å; R442-H465 PolarHBondContact NH1-O 3.05Å; R442-H465 VanDerWaalsContact NH1-O 3.09Å; R442-H465 PolarHBondContact NH2-O 2.8Å; R442-P466 PolarHBondContact NH2-O 2.72Å; R442-P466 VanDerWaalsContact NH2-O 3.13Å
443	H	92.3	Very high	93.7	Very high	63 Å²	63	28.5 Å²	28.5	29%	0.292	17%	0.169	S	C	.	.	S	Bend	trans	-113.7	-174.1	-177.2	-56.6	-67.4	0	0	0	111.3	R211 E215 R441 Y459	R211-H443 PolarHBondContact NH2-NE2 2.86Å; E215-H443 VanDerWaalsContact CD-NE2 3.28Å; E215-H443 IonicContact OE1-NE2 2.71Å; E215-H443 IonicContact OE2-CD2 3.47Å; E215-H443 IonicContact OE2-CE1 3.55Å; E215-H443 IonicContact OE2-NE2 3.84Å; E215-H443 PolarHBondContact OE2-NE2 3.39Å; R441-H443 VanDerWaalsContact C-N 3.28Å; R441-H443 PolarHBondContact NE-O 2.92Å; R441-H443 PolarHBondContact O-N 3.49Å; H443-Y459 WeakPolarHBondContact O-CE1 3.46Å; H443-Y459 PolarHBondContact O-OH 3.25Å
444	G	90.7	Very high	93.4	Very high	5 Å²	5	31.9 Å²	31.9	5%	0.052	19%	0.19	C	C	.	.			trans	-57.7	-179.7	168.5	0	0	0	0	0	113.6	R441 N446	R441-G444 PolarHBondContact NE-O 3.09Å; G444-N446 CarbonylContact C-O 3.25Å; G444-N446 PolarHBondContact O-N 3.08Å
445	H	90.4	Very high	93.2	Very high	29 Å²	29	32.4 Å²	32.4	13%	0.134	19%	0.193	C	C	.	.	S	Bend	trans	-57.5	-41	175.2	173.2	76.8	0	0	0	110.9	F212 H245 R246 F379 D449	F212-H445 WeakPolarHBondContact CD1-O 3.47Å; F212-H445 AromaticContact CE1-CD2 3.95Å; F212-H445 AromaticContact CE1-NE2 3.56Å; H245-H445 AromaticContact CE1-CE1 3.94Å; H245-H445 AromaticContact NE2-CE1 3.58Å; R246-H445 PolarHBondContact NH2-O 3.39Å; F379-H445 HydrophobicContact CD2-CB 3.83Å; F379-H445 AromaticContact CD2-CD2 3.28Å; F379-H445 WeakPolarHBondContact CD2-CD2 3.38Å; F379-H445 AromaticContact CD2-CE1 3.9Å; F379-H445 AromaticContact CD2-CG 3.29Å; F379-H445 AromaticContact CD2-ND1 3.7Å; F379-H445 AromaticContact CD2-NE2 3.68Å; F379-H445 HydrophobicContact CE2-CB 4.09Å; F379-H445 AromaticContact CE2-CD2 3.42Å; F379-H445 VanDerWaalsContact CE2-CD2 3.42Å; F379-H445 WeakPolarHBondContact CE2-CD2 3.47Å; F379-H445 AromaticContact CE2-CG 3.75Å; F379-H445 HydrophobicContact CG-CB 4.38Å; H445-D449 PolarHBondContact N-OD2 3.19Å
446	N	87.6	Confident	92.9	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	21%	0.211	C	C	.	.	S	Bend	trans	-125.4	172.2	163	74.6	99.6	0	0	0	109.6	K210 F212 G444 A448 D449	K210-N446 HydrophobicContact CD-CB 4.38Å; K210-N446 HydrophobicContact CG-CB 4.15Å; F212-N446 HydrophobicContact CE1-CB 4.11Å; G444-N446 CarbonylContact C-O 3.25Å; G444-N446 PolarHBondContact O-N 3.08Å; N446-A448 PolarHBondContact O-N 3.45Å; N446-A448 PolarHBondContact OD1-N 3.3Å; N446-D449 WeakPolarHBondContact ND2-CB 3.39Å; N446-D449 WeakPolarHBondContact O-CB 3.32Å; N446-D449 PolarHBondContact O-N 3.29Å
447	E	86.3	Confident	92.7	Very high	31 Å²	31	41.4 Å²	41.4	15%	0.145	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.1	-164.9	-63.9	71.9	-157.9	0	0	115	K210 R211 F212 S213	K210-E447 WeakPolarHBondContact CA-OE2 3.36Å; R211-E447 VanDerWaalsContact CG-CD 3.46Å; R211-E447 HydrophobicContact CG-CG 3.81Å; R211-E447 PolarHBondContact N-OE2 2.95Å; F212-E447 VanDerWaalsContact CA-OE1 3.27Å; F212-E447 WeakPolarHBondContact CA-OE1 2.94Å; F212-E447 PolarHBondContact N-OE1 3.39Å; F212-E447 PolarHBondContact N-OE2 2.98Å; F212-E447 VanDerWaalsContact N-OE2 3.12Å; S213-E447 WeakPolarHBondContact CB-OE1 3.49Å; S213-E447 PolarHBondContact N-OE1 2.86Å
448	A	85.3	Confident	92.5	Very high	78 Å²	78	42.2 Å²	42.2	65%	0.645	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	11.1	169.1	0	0	0	0	0	112.7	N446	N446-A448 PolarHBondContact O-N 3.45Å; N446-A448 PolarHBondContact OD1-N 3.3Å
449	D	88.9	Confident	92.3	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.251	25%	0.251	S	S	.	.			trans	-98.9	140.2	178.2	172.2	57	0	0	0	110.5	H445 N446 P451	H445-D449 PolarHBondContact N-OD2 3.19Å; N446-D449 WeakPolarHBondContact ND2-CB 3.39Å; N446-D449 WeakPolarHBondContact O-CB 3.32Å; N446-D449 PolarHBondContact O-N 3.29Å; D449-P451 VanDerWaalsContact O-CD 3.26Å; D449-P451 WeakPolarHBondContact O-CD 3.25Å
450	E	91.9	Very high	92.2	Very high	122 Å²	122	48.6 Å²	48.6	57%	0.57	28%	0.276	S	S	*	.			trans	-107.4	91.8	-178	176	48.8	-95	0	0	110.3	S452 A453	E450-S452 PolarHBondContact O-N 2.91Å; E450-S452 WeakPolarHBondContact OE1-CA 3.35Å; E450-S452 WeakPolarHBondContact OE1-CB 3.29Å; E450-S452 PolarHBondContact OE1-N 2.91Å; E450-S452 PolarHBondContact OE1-OG 2.98Å; E450-A453 WeakPolarHBondContact O-CB 3.35Å; E450-A453 PolarHBondContact O-N 3.46Å
451	P	92.6	Very high	92.1	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.052	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-75	-12.4	-171.5	34.3	-39.4	0	0	0	113	D449 A453 T454 Q455 Y459	D449-P451 VanDerWaalsContact O-CD 3.26Å; D449-P451 WeakPolarHBondContact O-CD 3.25Å; P451-A453 PolarHBondContact O-N 3.3Å; P451-A453 VanDerWaalsContact O-N 3.17Å; P451-T454 PolarHBondContact O-N 3.37Å; P451-T454 VanDerWaalsContact O-N 3.15Å; P451-Q455 PolarHBondContact O-N 3.49Å; P451-Y459 HydrophobicContact CB-CD1 4.44Å; P451-Y459 HydrophobicContact CB-CD2 3.86Å; P451-Y459 HydrophobicContact CB-CE1 4.06Å; P451-Y459 HydrophobicContact CB-CE2 3.44Å; P451-Y459 VanDerWaalsContact CB-CE2 3.44Å; P451-Y459 HydrophobicContact CB-CG 4.33Å; P451-Y459 HydrophobicContact CG-CD1 3.59Å; P451-Y459 HydrophobicContact CG-CD2 3.89Å; P451-Y459 HydrophobicContact CG-CE1 3.34Å; P451-Y459 HydrophobicContact CG-CE2 3.67Å; P451-Y459 HydrophobicContact CG-CG 3.85Å
452	S	93.3	Very high	92	Very high	57 Å²	57	52.4 Å²	52.4	40%	0.399	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64.8	-17.1	175.8	-46.3	0	0	0	0	112.5	E450 T454 P456	E450-S452 PolarHBondContact O-N 2.91Å; E450-S452 WeakPolarHBondContact OE1-CA 3.35Å; E450-S452 WeakPolarHBondContact OE1-CB 3.29Å; E450-S452 PolarHBondContact OE1-N 2.91Å; E450-S452 PolarHBondContact OE1-OG 2.98Å; S452-T454 VanDerWaalsContact C-N 3.29Å; S452-T454 PolarHBondContact O-N 3.46Å; S452-P456 WeakPolarHBondContact O-CB 3.4Å; S452-P456 WeakPolarHBondContact O-CD 3.33Å
453	A	93.2	Very high	92	Very high	86 Å²	86	59 Å²	59	71%	0.711	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65.4	-29.7	174	0	0	0	0	0	113.1	E450 P451	E450-A453 WeakPolarHBondContact O-CB 3.35Å; E450-A453 PolarHBondContact O-N 3.46Å; P451-A453 PolarHBondContact O-N 3.3Å; P451-A453 VanDerWaalsContact O-N 3.17Å
454	T	92.1	Very high	92.1	Very high	71 Å²	71	64.6 Å²	64.6	44%	0.436	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-28.3	-177.2	45.7	0	0	0	0	113.6	T380 P451 S452 P456	T380-T454 HydrophobicContact CG2-CG2 4.22Å; P451-T454 PolarHBondContact O-N 3.37Å; P451-T454 VanDerWaalsContact O-N 3.15Å; S452-T454 VanDerWaalsContact C-N 3.29Å; S452-T454 PolarHBondContact O-N 3.46Å; T454-P456 WeakPolarHBondContact O-CD 3.35Å
455	Q	93.5	Very high	92.3	Very high	12 Å²	12	66.1 Å²	66.1	6%	0.056	35%	0.352	C	S	.	.			trans	-119.8	46.8	-179.1	-81.7	71.4	48.6	0	0	113.5	V377 T380 S382 P451 L457 M458 Y459	V377-Q455 HydrophobicContact CG2-CG 4.31Å; T380-Q455 PolarHBondContact O-NE2 3.05Å; T380-Q455 PolarHBondContact O-OE1 3.21Å; S382-Q455 WeakPolarHBondContact OG-CG 3.29Å; S382-Q455 PolarHBondContact OG-NE2 2.77Å; P451-Q455 PolarHBondContact O-N 3.49Å; Q455-L457 PolarHBondContact O-N 3.36Å; Q455-M458 HydrophobicContact CB-CB 4.18Å; Q455-M458 HydrophobicContact CB-SD 4.45Å; Q455-M458 HydrophobicContact CG-SD 4.23Å; Q455-M458 PolarHBondContact O-N 2.81Å; Q455-Y459 HydrophobicContact CB-CD2 3.64Å; Q455-Y459 HydrophobicContact CB-CE2 3.84Å; Q455-Y459 WeakPolarHBondContact O-CD2 3.39Å; Q455-Y459 PolarHBondContact O-N 3.17Å
456	P	93.4	Very high	92.4	Very high	58 Å²	58	67.7 Å²	67.7	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-42.8	-170.2	21.9	-33.2	0	0	0	114.1	S452 T454 Q460	S452-P456 WeakPolarHBondContact O-CB 3.4Å; S452-P456 WeakPolarHBondContact O-CD 3.33Å; T454-P456 WeakPolarHBondContact O-CD 3.35Å; P456-Q460 WeakPolarHBondContact O-CB 3.41Å; P456-Q460 WeakPolarHBondContact O-CG 3.47Å; P456-Q460 PolarHBondContact O-N 3.03Å
457	L	93.5	Very high	92.4	Very high	131 Å²	131	67.4 Å²	67.4	69%	0.686	36%	0.364	S	S	*	.	H	α-helix	trans	-69.2	-39.1	-178.8	-62.3	178.9	0	0	0	112.5	Q455 K461	Q455-L457 PolarHBondContact O-N 3.36Å; L457-K461 PolarHBondContact O-N 3.05Å
458	M	94.8	Very high	92.5	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-49.5	177.8	-170.7	-170	-170.7	0	0	110.3	L112 L114 Q376 V377 Q455 Q460 K461 I462	L112-M458 HydrophobicContact CD1-CE 4.03Å; L112-M458 HydrophobicContact CD1-CG 3.93Å; L114-M458 HydrophobicContact CD1-CB 4.16Å; L114-M458 HydrophobicContact CD1-CG 3.87Å; Q376-M458 HydrophobicContact CB-CE 3.9Å; V377-M458 HydrophobicContact CG1-CE 4.18Å; V377-M458 HydrophobicContact CG1-SD 4.4Å; Q455-M458 HydrophobicContact CB-CB 4.18Å; Q455-M458 HydrophobicContact CB-SD 4.45Å; Q455-M458 HydrophobicContact CG-SD 4.23Å; Q455-M458 PolarHBondContact O-N 2.81Å; M458-Q460 PolarHBondContact O-N 3.07Å; M458-K461 PolarHBondContact O-N 3.28Å; M458-I462 HydrophobicContact CE-CD1 4.38Å; M458-I462 HydrophobicContact CG-CD1 3.89Å; M458-I462 WeakPolarHBondContact O-CG1 3.45Å; M458-I462 PolarHBondContact O-N 3.34Å; M458-I462 HydrophobicContact SD-CD1 4.45Å
459	Y	95.1	Very high	92.6	Very high	19 Å²	19	65.2 Å²	65.2	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-72.9	-28.1	-178.4	-79.6	-90.6	0	0	0	113.6	R441 H443 P451 Q455 K461 I462 K463	R441-Y459 PolarHBondContact NE-OH 2.91Å; R441-Y459 PolarHBondContact NH2-OH 2.9Å; R441-Y459 WeakPolarHBondContact O-CE1 3.42Å; R441-Y459 PolarHBondContact O-OH 3.21Å; R441-Y459 VanDerWaalsContact O-OH 3.12Å; H443-Y459 WeakPolarHBondContact O-CE1 3.46Å; H443-Y459 PolarHBondContact O-OH 3.25Å; P451-Y459 HydrophobicContact CB-CD1 4.44Å; P451-Y459 HydrophobicContact CB-CD2 3.86Å; P451-Y459 HydrophobicContact CB-CE1 4.06Å; P451-Y459 HydrophobicContact CB-CE2 3.44Å; P451-Y459 VanDerWaalsContact CB-CE2 3.44Å; P451-Y459 HydrophobicContact CB-CG 4.33Å; P451-Y459 HydrophobicContact CG-CD1 3.59Å; P451-Y459 HydrophobicContact CG-CD2 3.89Å; P451-Y459 HydrophobicContact CG-CE1 3.34Å; P451-Y459 HydrophobicContact CG-CE2 3.67Å; P451-Y459 HydrophobicContact CG-CG 3.85Å; Q455-Y459 HydrophobicContact CB-CD2 3.64Å; Q455-Y459 HydrophobicContact CB-CE2 3.84Å; Q455-Y459 WeakPolarHBondContact O-CD2 3.39Å; Q455-Y459 PolarHBondContact O-N 3.17Å; Y459-K461 VanDerWaalsContact C-N 3.26Å; Y459-K461 PolarHBondContact O-N 2.95Å; Y459-I462 HydrophobicContact CD1-CD1 3.96Å; Y459-I462 HydrophobicContact CD2-CD1 4.3Å; Y459-I462 HydrophobicContact CE1-CD1 3.92Å; Y459-I462 HydrophobicContact CE2-CD1 4.25Å; Y459-I462 HydrophobicContact CG-CD1 4.17Å; Y459-K463 VanDerWaalsContact O-CB 3.24Å; Y459-K463 WeakPolarHBondContact O-CB 3.43Å; Y459-K463 PolarHBondContact O-N 3.36Å
460	Q	94.6	Very high	92.5	Very high	116 Å²	116	67.2 Å²	67.2	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-33.6	166.3	-79.6	175.1	36.4	0	0	112.9	P456 M458	P456-Q460 WeakPolarHBondContact O-CB 3.41Å; P456-Q460 WeakPolarHBondContact O-CG 3.47Å; P456-Q460 PolarHBondContact O-N 3.03Å; M458-Q460 PolarHBondContact O-N 3.07Å
461	K	94.7	Very high	92.4	Very high	84 Å²	84	63.8 Å²	63.8	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-81	-46.7	176.8	-154.1	167	-173.8	-170.5	0	111.6	L112 G113 L114 L457 M458 Y459 K463 K464 H465	L112-K461 WeakPolarHBondContact O-CD 3.36Å; L112-K461 WeakPolarHBondContact O-CE 3.16Å; L112-K461 PolarHBondContact O-NZ 3.18Å; G113-K461 PolarHBondContact O-NZ 2.87Å; L114-K461 HydrophobicContact CD2-CB 4.45Å; L114-K461 HydrophobicContact CD2-CD 3.55Å; L114-K461 HydrophobicContact CG-CD 4.01Å; L457-K461 PolarHBondContact O-N 3.05Å; M458-K461 PolarHBondContact O-N 3.28Å; Y459-K461 VanDerWaalsContact C-N 3.26Å; Y459-K461 PolarHBondContact O-N 2.95Å; K461-K463 VanDerWaalsContact C-N 3.26Å; K461-K463 PolarHBondContact O-N 3.44Å; K461-K464 PolarHBondContact O-N 3.36Å; K461-H465 PolarHBondContact O-N 3.31Å
462	I	95.2	Very high	92.3	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-50.3	-45.9	172.3	-68.1	164.9	0	0	0	110.9	L112 Y440 R442 M458 Y459 K464 H465	L112-I462 HydrophobicContact CD1-CD1 4.05Å; L112-I462 HydrophobicContact CD1-CG1 3.63Å; L112-I462 HydrophobicContact CD2-CG1 3.7Å; L112-I462 HydrophobicContact CG-CG1 4.34Å; Y440-I462 HydrophobicContact CD2-CD1 4.36Å; Y440-I462 HydrophobicContact CD2-CG1 3.99Å; Y440-I462 HydrophobicContact CD2-CG2 4.04Å; Y440-I462 HydrophobicContact CE2-CG2 4.15Å; Y440-I462 HydrophobicContact CG-CG1 4.43Å; R442-I462 PolarHBondContact NH1-O 2.99Å; M458-I462 HydrophobicContact CE-CD1 4.38Å; M458-I462 HydrophobicContact CG-CD1 3.89Å; M458-I462 WeakPolarHBondContact O-CG1 3.45Å; M458-I462 PolarHBondContact O-N 3.34Å; M458-I462 HydrophobicContact SD-CD1 4.45Å; Y459-I462 HydrophobicContact CD1-CD1 3.96Å; Y459-I462 HydrophobicContact CD2-CD1 4.3Å; Y459-I462 HydrophobicContact CE1-CD1 3.92Å; Y459-I462 HydrophobicContact CE2-CD1 4.25Å; Y459-I462 HydrophobicContact CG-CD1 4.17Å; I462-K464 PolarHBondContact O-N 3.45Å; I462-K464 VanDerWaalsContact O-N 3.11Å; I462-H465 WeakPolarHBondContact O-CB 3.4Å; I462-H465 PolarHBondContact O-N 3.48Å
463	K	92.7	Very high	91.8	Very high	183 Å²	183	61.8 Å²	61.8	80%	0.796	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.8	179.8	-174.4	168.8	-177	171.9	0	114.3	Y459 K461	Y459-K463 VanDerWaalsContact O-CB 3.24Å; Y459-K463 WeakPolarHBondContact O-CB 3.43Å; Y459-K463 PolarHBondContact O-N 3.36Å; K461-K463 VanDerWaalsContact C-N 3.26Å; K461-K463 PolarHBondContact O-N 3.44Å
464	K	94.4	Very high	91.5	Very high	182 Å²	182	59.9 Å²	59.9	79%	0.791	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.2	174.8	-63.2	176.2	-177	176.2	0	112.9	K461 I462	K461-K464 PolarHBondContact O-N 3.36Å; I462-K464 PolarHBondContact O-N 3.45Å; I462-K464 VanDerWaalsContact O-N 3.11Å
465	H	95.1	Very high	91.4	Very high	37 Å²	37	59.5 Å²	59.5	17%	0.171	29%	0.286	C	S	.	.	S	Bend	trans	-78.1	130.1	-176.2	-156.9	69.5	0	0	0	111	P111 L112 D410 Y440 R442 K461 I462	P111-H465 PolarHBondContact O-CE1 3.3Å; P111-H465 PolarHBondContact O-NE2 2.94Å; L112-H465 HydrophobicContact CD2-CB 4.26Å; D410-H465 IonicContact OD2-CD2 3.75Å; D410-H465 IonicContact OD2-CE1 2.6Å; D410-H465 PolarHBondContact OD2-CE1 3.36Å; D410-H465 IonicContact OD2-NE2 2.73Å; D410-H465 PolarHBondContact OD2-NE2 3.49Å; Y440-H465 AromaticContact CE1-CD2 3.67Å; Y440-H465 AromaticContact CZ-CD2 3.84Å; R442-H465 PolarHBondContact NH1-O 3.05Å; R442-H465 VanDerWaalsContact NH1-O 3.09Å; R442-H465 PolarHBondContact NH2-O 2.8Å; K461-H465 PolarHBondContact O-N 3.31Å; I462-H465 WeakPolarHBondContact O-CB 3.4Å; I462-H465 PolarHBondContact O-N 3.48Å
466	P	91.9	Very high	91.1	Very high	61 Å²	61	59 Å²	59	40%	0.396	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.9	172.3	171.7	25.9	-31	0	0	0	111.6	Y440 R442 K470 I471	Y440-P466 PolarHBondContact OH-O 3.25Å; R442-P466 PolarHBondContact NH2-O 2.72Å; R442-P466 VanDerWaalsContact NH2-O 3.13Å; P466-K470 HydrophobicContact CB-CB 4.47Å; P466-I471 HydrophobicContact CB-CG1 4.07Å; P466-I471 HydrophobicContact CG-CD1 3.96Å; P466-I471 HydrophobicContact CG-CG1 3.68Å
467	T	88.1	Confident	90.5	Very high	14 Å²	14	63.2 Å²	63.2	9%	0.086	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-90.4	154.5	174.7	51.6	0	0	0	0	111.5	E196 R469 K470 I471	E196-T467 WeakPolarHBondContact OE2-CB 3.39Å; E196-T467 PolarHBondContact OE2-OG1 2.51Å; T467-R469 PolarHBondContact O-N 3.22Å; T467-R469 VanDerWaalsContact O-N 3.17Å; T467-K470 PolarHBondContact O-N 3.14Å; T467-I471 WeakPolarHBondContact O-CG1 3.26Å; T467-I471 PolarHBondContact O-N 3.19Å; T467-I471 VanDerWaalsContact O-N 3.1Å
468	P	88.4	Confident	90.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-38.5	-178.6	-25.2	33.8	0	0	0	112.5	L192 D218 K470 I471 Y472	L192-P468 HydrophobicContact CD2-CB 4.49Å; D218-P468 HydrophobicContact CB-CG 4.26Å; D218-P468 WeakPolarHBondContact OD2-CD 3.49Å; P468-K470 VanDerWaalsContact C-N 3.35Å; P468-K470 PolarHBondContact O-N 3.3Å; P468-I471 PolarHBondContact O-N 2.85Å; P468-Y472 VanDerWaalsContact O-CB 3.26Å; P468-Y472 WeakPolarHBondContact O-CB 3.45Å; P468-Y472 PolarHBondContact O-N 3.01Å
469	R	87.2	Confident	89.9	Confident	63 Å²	63	67.7 Å²	67.7	24%	0.238	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-39.6	174.6	-166.2	-153.5	69.7	76.3	1	113.1	L189 L192 T193 E196 T467 A473	L189-R469 HydrophobicContact CD1-CG 4.11Å; L192-R469 HydrophobicContact CB-CB 4.17Å; L192-R469 HydrophobicContact CB-CG 4.14Å; T193-R469 VanDerWaalsContact OG1-CD 3.29Å; T193-R469 WeakPolarHBondContact OG1-CD 3.39Å; T193-R469 WeakPolarHBondContact OG1-CG 3.5Å; E196-R469 HydrophobicContact CB-CB 4.49Å; E196-R469 VanDerWaalsContact CD-NE 3.33Å; E196-R469 WeakPolarHBondContact OE1-CD 3.4Å; E196-R469 IonicContact OE1-CZ 3.19Å; E196-R469 IonicContact OE1-NE 3.86Å; E196-R469 PolarHBondContact OE1-NE 2.99Å; E196-R469 IonicContact OE1-NH2 3.19Å; E196-R469 WeakPolarHBondContact OE2-CB 3.34Å; E196-R469 IonicContact OE2-NE 2.56Å; T467-R469 PolarHBondContact O-N 3.22Å; T467-R469 VanDerWaalsContact O-N 3.17Å; R469-A473 WeakPolarHBondContact O-CB 3.21Å; R469-A473 PolarHBondContact O-N 3.24Å
470	K	86.3	Confident	89.4	Confident	89 Å²	89	75.9 Å²	75.9	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-46.5	178.3	-177.4	62.3	168.2	82	0	110.9	P466 T467 P468 Y472 A473 D474	P466-K470 HydrophobicContact CB-CB 4.47Å; T467-K470 PolarHBondContact O-N 3.14Å; P468-K470 VanDerWaalsContact C-N 3.35Å; P468-K470 PolarHBondContact O-N 3.3Å; K470-Y472 VanDerWaalsContact C-N 3.29Å; K470-Y472 PolarHBondContact O-N 3Å; K470-A473 PolarHBondContact O-N 2.69Å; K470-D474 IonicContact NZ-OD1 2.66Å; K470-D474 PolarHBondContact NZ-OD1 3.26Å; K470-D474 IonicContact NZ-OD2 3.76Å; K470-D474 PolarHBondContact NZ-OD2 2.9Å; K470-D474 WeakPolarHBondContact O-CB 3.22Å; K470-D474 PolarHBondContact O-N 3.48Å
471	I	90.5	Very high	88.5	Confident	51 Å²	51	71.4 Å²	71.4	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-56.3	-47.1	177.4	-60.5	166.5	0	0	0	110.1	D410 P466 T467 P468 D474 K475	D410-I471 HydrophobicContact CB-CD1 3.95Å; D410-I471 WeakPolarHBondContact OD1-CD1 3.23Å; D410-I471 WeakPolarHBondContact OD2-CD1 3.34Å; P466-I471 HydrophobicContact CB-CG1 4.07Å; P466-I471 HydrophobicContact CG-CD1 3.96Å; P466-I471 HydrophobicContact CG-CG1 3.68Å; T467-I471 WeakPolarHBondContact O-CG1 3.26Å; T467-I471 PolarHBondContact O-N 3.19Å; T467-I471 VanDerWaalsContact O-N 3.1Å; P468-I471 PolarHBondContact O-N 2.85Å; I471-D474 PolarHBondContact O-N 3.39Å; I471-K475 PolarHBondContact O-N 3.05Å; I471-K475 VanDerWaalsContact O-N 3.08Å
472	Y	90.5	Very high	86.8	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-74	-35.4	-178.3	-167	-116.4	0	0	0	113.3	K185 F188 L189 L192 P412 E413 P468 K470 K475 L476	K185-Y472 WeakPolarHBondContact CA-OH 3.39Å; K185-Y472 WeakPolarHBondContact O-CE1 3.18Å; K185-Y472 PolarHBondContact O-OH 3.37Å; F188-Y472 HydrophobicContact CB-CE1 3.86Å; L189-Y472 HydrophobicContact CB-CD1 3.91Å; L189-Y472 HydrophobicContact CB-CE1 3.94Å; L189-Y472 HydrophobicContact CD1-CD1 4.16Å; L192-Y472 HydrophobicContact CD1-CD1 3.85Å; L192-Y472 HydrophobicContact CD1-CG 4.25Å; P412-Y472 HydrophobicContact CB-CD2 4.22Å; P412-Y472 HydrophobicContact CB-CE2 4.21Å; P412-Y472 HydrophobicContact CB-CG 4.39Å; P412-Y472 HydrophobicContact CG-CD1 4.21Å; P412-Y472 HydrophobicContact CG-CD2 3.77Å; P412-Y472 HydrophobicContact CG-CE2 4.26Å; P412-Y472 HydrophobicContact CG-CG 3.75Å; E413-Y472 HydrophobicContact CG-CE2 4.03Å; E413-Y472 WeakPolarHBondContact OE1-CE2 3.33Å; P468-Y472 VanDerWaalsContact O-CB 3.26Å; P468-Y472 WeakPolarHBondContact O-CB 3.45Å; P468-Y472 PolarHBondContact O-N 3.01Å; K470-Y472 VanDerWaalsContact C-N 3.29Å; K470-Y472 PolarHBondContact O-N 3Å; Y472-K475 HydrophobicContact CD2-CD 4.15Å; Y472-K475 HydrophobicContact CE2-CD 4.26Å; Y472-K475 PolarHBondContact O-N 3.18Å; Y472-L476 HydrophobicContact CD1-CD1 4.15Å; Y472-L476 HydrophobicContact CD1-CG 4.41Å; Y472-L476 HydrophobicContact CE1-CD1 3.56Å; Y472-L476 HydrophobicContact CE1-CG 4.05Å; Y472-L476 HydrophobicContact CE2-CD2 4.28Å; Y472-L476 HydrophobicContact CE2-CG 4.34Å; Y472-L476 WeakPolarHBondContact O-CG 3.47Å; Y472-L476 PolarHBondContact O-N 3.48Å
473	A	82.7	Confident	84.9	Confident	20 Å²	20	72.9 Å²	72.9	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-46.7	170.6	0	0	0	0	0	111.4	L189 R469 K470 K475 L476 E477	L189-A473 HydrophobicContact CD1-CB 3.9Å; L189-A473 HydrophobicContact CD2-CB 4.32Å; R469-A473 WeakPolarHBondContact O-CB 3.21Å; R469-A473 PolarHBondContact O-N 3.24Å; K470-A473 PolarHBondContact O-N 2.69Å; A473-K475 VanDerWaalsContact C-N 3.29Å; A473-K475 PolarHBondContact O-N 3.21Å; A473-L476 PolarHBondContact O-N 2.78Å; A473-E477 WeakPolarHBondContact O-CB 3.33Å; A473-E477 PolarHBondContact O-N 3.45Å
474	D	87.3	Confident	82.8	Confident	47 Å²	47	72.4 Å²	72.4	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-35.6	-179.5	-63	-7.3	0	0	0	111.5	K470 I471 Q478	K470-D474 IonicContact NZ-OD1 2.66Å; K470-D474 PolarHBondContact NZ-OD1 3.26Å; K470-D474 IonicContact NZ-OD2 3.76Å; K470-D474 PolarHBondContact NZ-OD2 2.9Å; K470-D474 WeakPolarHBondContact O-CB 3.22Å; K470-D474 PolarHBondContact O-N 3.48Å; I471-D474 PolarHBondContact O-N 3.39Å; D474-Q478 VanDerWaalsContact O-CG 3.25Å; D474-Q478 WeakPolarHBondContact O-CG 3.49Å; D474-Q478 PolarHBondContact O-N 3.19Å; D474-Q478 VanDerWaalsContact O-N 3.15Å; D474-Q478 PolarHBondContact O-NE2 3.12Å
475	K	90	Very high	80.1	Confident	63 Å²	63	67.2 Å²	67.2	27%	0.274	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-50.1	171.4	-172.2	-167.5	-177.6	-166.3	0	111.3	D411 E413 I471 Y472 A473 E477 Q478 E479	D411-K475 IonicContact OD1-NZ 3.74Å; E413-K475 IonicContact OE1-NZ 3.67Å; E413-K475 PolarHBondContact OE1-NZ 2.72Å; E413-K475 IonicContact OE2-NZ 2.67Å; I471-K475 PolarHBondContact O-N 3.05Å; I471-K475 VanDerWaalsContact O-N 3.08Å; Y472-K475 HydrophobicContact CD2-CD 4.15Å; Y472-K475 HydrophobicContact CE2-CD 4.26Å; Y472-K475 PolarHBondContact O-N 3.18Å; A473-K475 VanDerWaalsContact C-N 3.29Å; A473-K475 PolarHBondContact O-N 3.21Å; K475-E477 VanDerWaalsContact C-N 3.32Å; K475-E477 PolarHBondContact O-N 3.31Å; K475-Q478 WeakPolarHBondContact O-CB 3.47Å; K475-Q478 PolarHBondContact O-N 2.82Å; K475-E479 VanDerWaalsContact CE-OE1 3.25Å; K475-E479 WeakPolarHBondContact CE-OE1 3.32Å; K475-E479 WeakPolarHBondContact O-CG 3.41Å; K475-E479 PolarHBondContact O-N 2.74Å
476	L	86.3	Confident	77	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-71.5	-23.3	-179	-66.1	-167.2	0	0	0	113.8	K185 L189 Y472 A473 K480 V481 A482	K185-L476 HydrophobicContact CB-CD1 3.97Å; K185-L476 HydrophobicContact CB-CD2 3.9Å; K185-L476 HydrophobicContact CD-CD2 3.97Å; K185-L476 HydrophobicContact CG-CD2 4.08Å; K185-L476 WeakPolarHBondContact O-CD1 3.43Å; L189-L476 HydrophobicContact CB-CD1 4.03Å; L189-L476 HydrophobicContact CD2-CD1 4.2Å; Y472-L476 HydrophobicContact CD1-CD1 4.15Å; Y472-L476 HydrophobicContact CD1-CG 4.41Å; Y472-L476 HydrophobicContact CE1-CD1 3.56Å; Y472-L476 HydrophobicContact CE1-CG 4.05Å; Y472-L476 HydrophobicContact CE2-CD2 4.28Å; Y472-L476 HydrophobicContact CE2-CG 4.34Å; Y472-L476 WeakPolarHBondContact O-CG 3.47Å; Y472-L476 PolarHBondContact O-N 3.48Å; A473-L476 PolarHBondContact O-N 2.78Å; L476-K480 PolarHBondContact O-N 3.07Å; L476-V481 HydrophobicContact CB-CB 4.28Å; L476-V481 HydrophobicContact CD1-CG1 4.27Å; L476-V481 HydrophobicContact CD2-CB 4.17Å; L476-V481 HydrophobicContact CD2-CG1 4.24Å; L476-V481 HydrophobicContact CD2-CG2 4.48Å; L476-V481 PolarHBondContact O-N 3.4Å; L476-A482 HydrophobicContact CB-CB 4.03Å; L476-A482 HydrophobicContact CD1-CB 3.99Å
477	E	81.2	Confident	74.1	Confident	147 Å²	147	73 Å²	73	69%	0.687	38%	0.375	S	S	*	.	H	α-helix	trans	-69.2	-45.3	168.8	-176.2	173.5	-152.2	0	0	110.7	A473 K475 E479 K480	A473-E477 WeakPolarHBondContact O-CB 3.33Å; A473-E477 PolarHBondContact O-N 3.45Å; K475-E477 VanDerWaalsContact C-N 3.32Å; K475-E477 PolarHBondContact O-N 3.31Å; E477-E479 VanDerWaalsContact C-N 3.33Å; E477-E479 PolarHBondContact O-N 2.85Å; E477-K480 PolarHBondContact O-N 3.31Å
478	Q	87.7	Confident	71.1	Confident	158 Å²	158	77.9 Å²	77.9	74%	0.738	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-38.1	174	-71.7	165.1	61.3	0	0	112.3	D474 K475 K480	D474-Q478 VanDerWaalsContact O-CG 3.25Å; D474-Q478 WeakPolarHBondContact O-CG 3.49Å; D474-Q478 PolarHBondContact O-N 3.19Å; D474-Q478 VanDerWaalsContact O-N 3.15Å; D474-Q478 PolarHBondContact O-NE2 3.12Å; K475-Q478 WeakPolarHBondContact O-CB 3.47Å; K475-Q478 PolarHBondContact O-N 2.82Å; Q478-K480 VanDerWaalsContact C-N 3.3Å
479	E	88	Confident	67.9	Low	83 Å²	83	84.3 Å²	84.3	39%	0.388	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.3	173.3	-67.5	-179.7	-169.9	0	0	114	K185 K475 E477 V481	K185-E479 IonicContact NZ-OE1 3.21Å; K185-E479 IonicContact NZ-OE2 2.69Å; K185-E479 PolarHBondContact NZ-OE2 2.86Å; K475-E479 VanDerWaalsContact CE-OE1 3.25Å; K475-E479 WeakPolarHBondContact CE-OE1 3.32Å; K475-E479 WeakPolarHBondContact O-CG 3.41Å; K475-E479 PolarHBondContact O-N 2.74Å; E477-E479 VanDerWaalsContact C-N 3.33Å; E477-E479 PolarHBondContact O-N 2.85Å; E479-V481 HydrophobicContact CB-CG2 3.92Å
480	K	84.7	Confident	64.6	Low	191 Å²	191	87.2 Å²	87.2	83%	0.83	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	37	-178.8	-52.5	177.2	-177.6	175.1	0	114.8	L476 E477 Q478	L476-K480 PolarHBondContact O-N 3.07Å; E477-K480 PolarHBondContact O-N 3.31Å; Q478-K480 VanDerWaalsContact C-N 3.3Å
481	V	76.7	Confident	61.5	Low	22 Å²	22	88.4 Å²	88.4	13%	0.133	47%	0.466	C	S	.	.			trans	-96	-42	-172.5	167.2	0	0	0	0	113.8	S182 K185 K186 L476 E479	S182-V481 WeakPolarHBondContact O-CG1 3.35Å; K185-V481 HydrophobicContact CB-CG1 3.73Å; K185-V481 HydrophobicContact CD-CG1 4.28Å; K185-V481 HydrophobicContact CD-CG2 4.24Å; K186-V481 WeakPolarHBondContact CE-O 3.42Å; K186-V481 HydrophobicContact CG-CG1 4.34Å; L476-V481 HydrophobicContact CB-CB 4.28Å; L476-V481 HydrophobicContact CD1-CG1 4.27Å; L476-V481 HydrophobicContact CD2-CB 4.17Å; L476-V481 HydrophobicContact CD2-CG1 4.24Å; L476-V481 HydrophobicContact CD2-CG2 4.48Å; L476-V481 PolarHBondContact O-N 3.4Å; E479-V481 HydrophobicContact CB-CG2 3.92Å
482	A	58.1	Low	58.1	Low	28 Å²	28	89.9 Å²	89.9	23%	0.231	48%	0.475	C	S	.	.			trans	-119.4	140.5	-162	0	0	0	0	0	115.4	K186 L189 L476	K186-A482 HydrophobicContact CG-CB 4Å; L189-A482 HydrophobicContact CD2-CB 3.75Å; L476-A482 HydrophobicContact CB-CB 4.03Å; L476-A482 HydrophobicContact CD1-CB 3.99Å
483	T	55.3	Low	54.8	Low	89 Å²	89	96.8 Å²	96.8	55%	0.546	51%	0.511	S	S	.	.			trans	-110.1	-135.2	157.5	43.2	0	0	0	0	107.8	E485	T483-E485 VanDerWaalsContact CB-OE1 3.29Å; T483-E485 WeakPolarHBondContact CB-OE1 3.42Å; T483-E485 PolarHBondContact OG1-OE1 3.22Å
484	L	48.1	Very low	51.7	Low	173 Å²	173	103.5 Å²	103.5	91%	0.906	53%	0.533	S	S	*	.	S	Bend	trans	-129	91.4	-166.9	-86.1	64.3	0	0	0	115.1
485	E	38.2	Very low	48.6	Very low	73 Å²	73	108.9 Å²	108.9	34%	0.341	55%	0.55	S	S	.	*			trans	-137.3	-167.4	-161.8	-63.2	100	-145.2	0	0	123	K186 S190 T483	K186-E485 WeakPolarHBondContact CD-OE2 3.31Å; K186-E485 WeakPolarHBondContact CE-OE2 3.45Å; K186-E485 IonicContact NZ-OE1 2.69Å; K186-E485 IonicContact NZ-OE2 3.57Å; K186-E485 PolarHBondContact NZ-OE2 2.9Å; S190-E485 WeakPolarHBondContact CB-O 3.34Å; S190-E485 PolarHBondContact OG-O 3.05Å; T483-E485 VanDerWaalsContact CB-OE1 3.29Å; T483-E485 WeakPolarHBondContact CB-OE1 3.42Å; T483-E485 PolarHBondContact OG1-OE1 3.22Å
486	D	30.9	Very low	45.4	Very low	148 Å²	148	108.6 Å²	108.6	79%	0.791	55%	0.552	S	S	*	*			trans	-126.7	0	-142.9	-31.3	-103.7	0	0	0	125.2
487	A	30.1	Very low	42.3	Very low	73 Å²	73	114.7 Å²	114.7	60%	0.603	58%	0.58	S	S	*	*				0	0	0	0	0	0	0	0	122.5
488	T	24.5	Very low	39.6	Very low	115 Å²	115	108.9 Å²	108.9	71%	0.706	55%	0.554	S	S	*	*				0	159.5	0	49.5	0	0	0	0	125.6
489	E	21.2	Very low	36.7	Very low	136 Å²	136	101.4 Å²	101.4	64%	0.636	52%	0.519	S	S	*	.			trans	78.7	0	139.5	-74.1	165.6	101.9	0	0	133	D289 F290 Q291	D289-E489 CarbonylContact O-C 3.52Å; F290-E489 CarbonylContact C-O 3.57Å; Q291-E489 WeakPolarHBondContact CB-O 3.03Å; Q291-E489 PolarHBondContact N-O 3.45Å
490	M	19.2	Very low	34.8	Very low	124 Å²	124	105.9 Å²	105.9	61%	0.611	54%	0.537	S	S	*	.				0	0	0	-60.2	-160.1	-175.5	0	0	125.9	D289 L296	D289-M490 CarbonylContact C-O 3.53Å; D289-M490 VanDerWaalsContact CA-O 3.26Å; D289-M490 WeakPolarHBondContact CA-O 3.35Å; D289-M490 VanDerWaalsContact CB-C 3.5Å; D289-M490 WeakPolarHBondContact CB-O 3.49Å; D289-M490 PolarHBondContact N-O 3.07Å; D289-M490 PolarHBondContact O-N 2.98Å; L296-M490 HydrophobicContact CD1-CB 3.35Å
491	V	20.5	Very low	33.6	Very low	113 Å²	113	103 Å²	103	69%	0.685	52%	0.521	S	S	*	.				0	0	0	-77.7	0	0	0	0	120.7	D289 L296	D289-V491 VanDerWaalsContact OD2-CA 3.23Å; D289-V491 WeakPolarHBondContact OD2-CA 3.27Å; L296-V491 VanDerWaalsContact CD2-C 3.43Å; L296-V491 WeakPolarHBondContact CD2-O 3.28Å
492	N	19.1	Very low	33.2	Very low	83 Å²	83	103 Å²	103	44%	0.444	52%	0.52	S	S	.	.				0	0	0	-152.3	-94	0	0	0	120	D289 H298	D289-N492 PolarHBondContact OD1-ND2 3.27Å; D289-N492 PolarHBondContact OD2-ND2 3.49Å; H298-N492 PolarHBondContact CE1-ND2 2.75Å; H298-N492 PolarHBondContact ND1-ND2 3.36Å
493	L	20.6	Very low	33.6	Very low	147 Å²	147	103.6 Å²	103.6	77%	0.77	52%	0.523	S	S	*	.				0	0	0	-66.3	170.1	0	0	0	132.1
494	Y	19.1	Very low	34.5	Very low	161 Å²	161	104 Å²	104	63%	0.631	53%	0.525	S	S	*	.				0	0	0	-83.6	-147.7	0	0	0	126.4
495	R	21	Very low	36.1	Very low	159 Å²	159	96.9 Å²	96.9	60%	0.6	49%	0.489	S	S	*	.				0	0	0	-87.5	-170.1	176	-113.9	11.5	119.4
496	D	23	Very low	38.3	Very low	57 Å²	57	96.1 Å²	96.1	31%	0.305	49%	0.49	S	S	.	.				0	0	0	-107.4	-42.5	0	0	0	122.2	R618	D496-R618 VanDerWaalsContact OD1-CD 3.24Å; D496-R618 WeakPolarHBondContact OD1-CD 3.37Å; D496-R618 IonicContact OD1-CZ 3.76Å; D496-R618 IonicContact OD1-NE 3.85Å; D496-R618 IonicContact OD1-NH1 2.74Å; D496-R618 PolarHBondContact OD1-NH1 3.45Å; D496-R618 WeakPolarHBondContact OD2-CD 3.48Å; D496-R618 IonicContact OD2-NE 3.8Å; D496-R618 IonicContact OD2-NH1 3.97Å; D496-R618 PolarHBondContact OD2-NH1 2.82Å
497	E	21.5	Very low	40.9	Very low	129 Å²	129	98.7 Å²	98.7	60%	0.603	50%	0.497	S	S	*	.				0	0	0	-93.6	62.5	96.1	0	0	130.3	G591	E497-G591 PolarHBondContact O-N 2.9Å
498	L	24.6	Very low	43.6	Very low	25 Å²	25	99.3 Å²	99.3	13%	0.131	50%	0.502	C	S	.	.				0	0	0	-116.8	-173.9	0	0	0	126.1	V546 D547 I586 H587 G589 Q590 G591	L498-V546 WeakPolarHBondContact CB-O 3.23Å; L498-V546 HydrophobicContact CD1-CB 3.8Å; L498-V546 HydrophobicContact CD1-CG2 4.14Å; L498-D547 CarbonylContact C-O 3.47Å; L498-I586 HydrophobicContact CD1-CG2 3.72Å; L498-I586 HydrophobicContact CD2-CG2 3.99Å; L498-I586 HydrophobicContact CG-CG2 4.44Å; L498-H587 HydrophobicContact CD2-CB 4.31Å; L498-H587 WeakPolarHBondContact CD2-ND1 3.48Å; L498-H587 PolarHBondContact O-CE1 3.5Å; L498-H587 PolarHBondContact O-NE2 2.93Å; L498-G589 WeakPolarHBondContact CD2-O 3.3Å; L498-G589 WeakPolarHBondContact CG-O 3.34Å; L498-Q590 HydrophobicContact CD1-CB 4.29Å; L498-Q590 HydrophobicContact CD1-CG 4.06Å; L498-Q590 VanDerWaalsContact CD1-NE2 3.31Å; L498-Q590 HydrophobicContact CD2-CB 4.26Å; L498-Q590 VanDerWaalsContact CG-CA 3.42Å; L498-Q590 HydrophobicContact CG-CB 4.41Å; L498-G591 WeakPolarHBondContact CD1-O 3.46Å
499	A	26.6	Very low	46.7	Very low	1 Å²	1	94.7 Å²	94.7	1%	0.008	47%	0.474	C	S	.	.				0	-99.7	0	0	0	0	0	0	125.7	V546 D547 I586 H587	A499-V546 VanDerWaalsContact CB-C 3.45Å; A499-V546 HydrophobicContact CB-CG2 4.02Å; A499-D547 HydrophobicContact CB-CB 3.72Å; A499-D547 WeakPolarHBondContact CB-OD1 3.29Å; A499-I586 HydrophobicContact CB-CG2 3.27Å; A499-I586 CarbonylContact O-C 3.22Å; A499-H587 PolarHBondContact N-CE1 3.29Å; A499-H587 PolarHBondContact N-NE2 2.73Å; A499-H587 WeakPolarHBondContact O-CB 3.44Å; A499-H587 PolarHBondContact O-CD2 2.94Å; A499-H587 PolarHBondContact O-N 3.23Å
500	K	47.5	Very low	50	Low	177 Å²	177	93.1 Å²	93.1	77%	0.77	47%	0.467	S	S	*	.			trans	69.2	-50.8	-170.6	-106.3	167.5	-168.7	156.5	0	128.2	I502 D547	K500-I502 PolarHBondContact O-N 3.48Å; K500-D547 WeakPolarHBondContact CA-OD1 3.47Å; K500-D547 PolarHBondContact N-OD1 3.31Å
501	R	60.1	Low	53.5	Low	129 Å²	129	89.7 Å²	89.7	49%	0.487	45%	0.45	S	S	.	.			trans	-81.8	55.9	-157.9	-47.5	154.9	-158.6	159.3	0.2	117.8	H585 I586 H587 N588	R501-H585 VanDerWaalsContact CD-O 3.31Å; R501-H585 WeakPolarHBondContact CD-O 3.37Å; R501-I586 WeakPolarHBondContact CA-O 3.37Å; R501-I586 WeakPolarHBondContact CB-O 3.43Å; R501-I586 WeakPolarHBondContact CD-O 3.15Å; R501-I586 WeakPolarHBondContact CG-O 3.32Å; R501-I586 PolarHBondContact N-O 2.86Å; R501-I586 PolarHBondContact NE-O 2.72Å; R501-H587 VanDerWaalsContact CZ-CA 3.46Å; R501-N588 PolarHBondContact NH1-OD1 2.86Å; R501-N588 VanDerWaalsContact NH1-OD1 3.09Å; R501-N588 PolarHBondContact NH2-OD1 2.79Å
502	I	67.5	Low	57	Low	23 Å²	23	87.2 Å²	87.2	12%	0.118	43%	0.431	C	S	.	.			trans	-79.9	-39.5	-177.1	53.5	143.5	0	0	0	119.2	K500 T504 L540 A543 P582 L583 I586	K500-I502 PolarHBondContact O-N 3.48Å; I502-T504 VanDerWaalsContact C-N 3.29Å; I502-T504 PolarHBondContact O-N 3.06Å; I502-L540 HydrophobicContact CD1-CD1 4.11Å; I502-A543 HydrophobicContact CB-CB 4.11Å; I502-A543 HydrophobicContact CD1-CB 3.66Å; I502-A543 HydrophobicContact CG1-CB 3.66Å; I502-A543 HydrophobicContact CG2-CB 3.37Å; I502-P582 WeakPolarHBondContact O-CB 3.39Å; I502-L583 HydrophobicContact CG2-CD2 3.65Å; I502-L583 HydrophobicContact CG2-CG 3.83Å; I502-I586 HydrophobicContact CB-CG1 4.47Å; I502-I586 HydrophobicContact CG2-CD1 3.22Å; I502-I586 HydrophobicContact CG2-CG1 3.46Å; I502-I586 VanDerWaalsContact CG2-CG1 3.46Å
503	S	66.5	Low	60.6	Low	41 Å²	41	87.5 Å²	87.5	29%	0.287	44%	0.439	S	S	.	.	S	Bend	trans	-88.4	7.8	-159.1	-58	0	0	0	0	114.7	Q523	S503-Q523 PolarHBondContact O-NE2 2.93Å
504	T	73.8	Confident	64.1	Low	98 Å²	98	87.4 Å²	87.4	60%	0.601	43%	0.429	S	S	*	.			trans	-108	129.3	-174.4	-51.7	0	0	0	0	110.9	I502 Y580	I502-T504 VanDerWaalsContact C-N 3.29Å; I502-T504 PolarHBondContact O-N 3.06Å; T504-Y580 PolarHBondContact O-OH 3.2Å
505	V	82	Confident	67.7	Low	22 Å²	22	80.4 Å²	80.4	13%	0.133	40%	0.403	C	S	.	.			trans	-116	128.7	176.7	-175	0	0	0	0	108.1	V509 M511 Y519 I571 Y580 P582	V505-V509 HydrophobicContact CG1-CB 3.97Å; V505-V509 HydrophobicContact CG1-CG1 4.26Å; V505-V509 HydrophobicContact CG1-CG2 4.46Å; V505-M511 HydrophobicContact CB-CE 4.39Å; V505-M511 HydrophobicContact CB-SD 4.5Å; V505-M511 HydrophobicContact CG1-CE 4.4Å; V505-M511 HydrophobicContact CG1-SD 4.25Å; V505-M511 HydrophobicContact CG2-SD 4.32Å; V505-Y519 HydrophobicContact CG2-CD1 3.71Å; V505-Y519 HydrophobicContact CG2-CE1 3.78Å; V505-Y519 HydrophobicContact CG2-CG 4.31Å; V505-I571 HydrophobicContact CB-CD1 4.26Å; V505-I571 HydrophobicContact CG1-CD1 3.76Å; V505-I571 HydrophobicContact CG2-CD1 3.4Å; V505-I571 VanDerWaalsContact CG2-CD1 3.4Å; V505-Y580 HydrophobicContact CG1-CD1 4.11Å; V505-Y580 HydrophobicContact CG1-CE1 4.37Å; V505-P582 HydrophobicContact CG2-CG 4.25Å
506	P	85.5	Confident	71.1	Confident	58 Å²	58	74.6 Å²	74.6	38%	0.377	39%	0.389	S	S	.	.			trans	-63.4	140.4	176.7	-22.6	33	0	0	0	112.3	A508 V509 Y580	P506-A508 PolarHBondContact O-N 2.86Å; P506-V509 HydrophobicContact CB-CG2 4.46Å; P506-V509 WeakPolarHBondContact O-CB 3.5Å; P506-V509 PolarHBondContact O-N 3.16Å; P506-Y580 VanDerWaalsContact CD-CE1 3.41Å; P506-Y580 HydrophobicContact CG-CD2 4.44Å; P506-Y580 HydrophobicContact CG-CE1 4.4Å; P506-Y580 HydrophobicContact CG-CE2 3.87Å
507	E	85.3	Confident	74.5	Confident	201 Å²	201	78.7 Å²	78.7	94%	0.939	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	-179.2	-62	177.7	174.2	0	0	113.8	V509	E507-V509 PolarHBondContact O-N 2.99Å
508	A	87.3	Confident	78	Confident	86 Å²	86	73.7 Å²	73.7	71%	0.711	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-6	175.6	0	0	0	0	0	114.5	P506 N573	P506-A508 PolarHBondContact O-N 2.86Å; A508-N573 PolarHBondContact O-ND2 3.42Å
509	V	88.7	Confident	81.2	Confident	18 Å²	18	73.1 Å²	73.1	11%	0.109	38%	0.377	C	S	.	.	S	Bend	trans	-99.7	94.6	176.4	-175.3	0	0	0	0	108.9	V505 P506 E507 M511 I571 N573 Y580	V505-V509 HydrophobicContact CG1-CB 3.97Å; V505-V509 HydrophobicContact CG1-CG1 4.26Å; V505-V509 HydrophobicContact CG1-CG2 4.46Å; P506-V509 HydrophobicContact CB-CG2 4.46Å; P506-V509 WeakPolarHBondContact O-CB 3.5Å; P506-V509 PolarHBondContact O-N 3.16Å; E507-V509 PolarHBondContact O-N 2.99Å; V509-M511 PolarHBondContact O-N 2.93Å; V509-I571 HydrophobicContact CG1-CB 4.42Å; V509-I571 HydrophobicContact CG1-CG2 3.73Å; V509-N573 HydrophobicContact CG1-CB 4.23Å; V509-Y580 HydrophobicContact CG2-CG 4.08Å
510	E	91.4	Very high	84.3	Confident	103 Å²	103	74.7 Å²	74.7	48%	0.481	39%	0.394	S	S	.	.			trans	-66.2	107.1	178.4	-169.2	-172.4	167.7	0	0	110	N573 Q574 S575	E510-N573 WeakPolarHBondContact CB-OD1 3.22Å; E510-N573 PolarHBondContact N-OD1 3.09Å; E510-N573 WeakPolarHBondContact O-CA 3.17Å; E510-Q574 HydrophobicContact CB-CB 4.48Å; E510-Q574 HydrophobicContact CG-CB 4.32Å; E510-Q574 WeakPolarHBondContact O-CG 3.31Å; E510-Q574 PolarHBondContact O-N 3.41Å; E510-S575 WeakPolarHBondContact CB-OG 3.38Å; E510-S575 VanDerWaalsContact OE2-CB 3.22Å; E510-S575 WeakPolarHBondContact OE2-CB 3.47Å; E510-S575 PolarHBondContact OE2-OG 3.05Å
511	M	92	Very high	86.5	Confident	53 Å²	53	68.2 Å²	68.2	26%	0.261	37%	0.368	S	S	.	.			trans	-80.7	135.9	179	-73.2	-171.6	-78.1	0	0	111.6	V505 V509 S513 V515 A516 Y519 I571	V505-M511 HydrophobicContact CB-CE 4.39Å; V505-M511 HydrophobicContact CB-SD 4.5Å; V505-M511 HydrophobicContact CG1-CE 4.4Å; V505-M511 HydrophobicContact CG1-SD 4.25Å; V505-M511 HydrophobicContact CG2-SD 4.32Å; V509-M511 PolarHBondContact O-N 2.93Å; M511-S513 PolarHBondContact O-N 3.38Å; M511-V515 HydrophobicContact SD-CG1 4.45Å; M511-A516 HydrophobicContact CB-CB 3.92Å; M511-A516 HydrophobicContact CE-CB 4.39Å; M511-Y519 HydrophobicContact SD-CD2 4.06Å; M511-Y519 HydrophobicContact SD-CG 4.14Å; M511-I571 HydrophobicContact CG-CG2 3.77Å; M511-I571 HydrophobicContact SD-CD1 4.22Å
512	Q	94.8	Very high	87.9	Confident	61 Å²	61	63 Å²	63	29%	0.285	35%	0.348	S	S	.	.			trans	-55.2	137.1	166.2	-163	-71.5	-36.1	0	0	109.7	R514 V515 A516 Q574	Q512-R514 VanDerWaalsContact C-N 3.28Å; Q512-R514 PolarHBondContact O-N 2.85Å; Q512-R514 VanDerWaalsContact OE1-CB 3.26Å; Q512-V515 HydrophobicContact CB-CB 4.41Å; Q512-V515 HydrophobicContact CB-CG2 4.06Å; Q512-V515 CarbonylContact O-C 3.57Å; Q512-V515 WeakPolarHBondContact O-CA 3.49Å; Q512-V515 WeakPolarHBondContact O-CB 3.3Å; Q512-V515 PolarHBondContact O-N 3.1Å; Q512-A516 PolarHBondContact O-N 3.48Å; Q512-Q574 HydrophobicContact CB-CG 3.98Å
513	S	94.3	Very high	88.9	Confident	89 Å²	89	66.7 Å²	66.7	62%	0.622	37%	0.365	S	S	*	.	H	α-helix	trans	-55.5	-30.9	-167.6	58.8	0	0	0	0	116.4	M511 K517	M511-S513 PolarHBondContact O-N 3.38Å; S513-K517 PolarHBondContact O-N 3.43Å
514	R	94.5	Very high	90	Very high	144 Å²	144	65.7 Å²	65.7	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-78.4	-32.3	174.3	-58.4	174.5	64.2	-168.5	-0.9	111.9	Q512 K517 I518 F565	Q512-R514 VanDerWaalsContact C-N 3.28Å; Q512-R514 PolarHBondContact O-N 2.85Å; Q512-R514 VanDerWaalsContact OE1-CB 3.26Å; R514-K517 PolarHBondContact O-N 3.4Å; R514-I518 WeakPolarHBondContact O-CG1 3.28Å; R514-I518 PolarHBondContact O-N 3.18Å; R514-F565 HydrophobicContact CB-CE1 3.98Å; R514-F565 HydrophobicContact CB-CZ 4.16Å
515	V	93.5	Very high	90.8	Very high	14 Å²	14	61 Å²	61	9%	0.085	33%	0.33	C	S	.	.	H	α-helix	trans	-69.3	-44.1	173.1	-177	0	0	0	0	110	M511 Q512 K517 I518 Y519 F565	M511-V515 HydrophobicContact SD-CG1 4.45Å; Q512-V515 HydrophobicContact CB-CB 4.41Å; Q512-V515 HydrophobicContact CB-CG2 4.06Å; Q512-V515 CarbonylContact O-C 3.57Å; Q512-V515 WeakPolarHBondContact O-CA 3.49Å; Q512-V515 WeakPolarHBondContact O-CB 3.3Å; Q512-V515 PolarHBondContact O-N 3.1Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 2.91Å; V515-I518 PolarHBondContact O-N 3.46Å; V515-I518 VanDerWaalsContact O-N 3.07Å; V515-Y519 HydrophobicContact CG1-CD2 3.94Å; V515-Y519 HydrophobicContact CG1-CE2 4.09Å; V515-Y519 WeakPolarHBondContact O-CD2 3.13Å; V515-Y519 PolarHBondContact O-N 2.92Å; V515-F565 HydrophobicContact CG2-CZ 4.21Å
516	A	93	Very high	90.7	Very high	38 Å²	38	62.5 Å²	62.5	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-55.9	-42.7	172.6	0	0	0	0	0	111.6	M511 Q512 Y519 G520	M511-A516 HydrophobicContact CB-CB 3.92Å; M511-A516 HydrophobicContact CE-CB 4.39Å; Q512-A516 PolarHBondContact O-N 3.48Å; A516-Y519 PolarHBondContact O-N 3.23Å; A516-G520 PolarHBondContact O-N 3.5Å
517	K	94.3	Very high	90.6	Very high	143 Å²	143	63 Å²	63	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-60.3	-47.2	172.5	-178	175	177.7	179.6	0	112.5	S513 R514 V515 Y519 G520 D521	S513-K517 PolarHBondContact O-N 3.43Å; R514-K517 PolarHBondContact O-N 3.4Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 2.91Å; K517-Y519 VanDerWaalsContact C-N 3.29Å; K517-Y519 PolarHBondContact O-N 2.82Å; K517-G520 PolarHBondContact O-N 3.29Å; K517-D521 VanDerWaalsContact CE-OD2 3.32Å; K517-D521 WeakPolarHBondContact CE-OD2 3.35Å; K517-D521 WeakPolarHBondContact CG-OD2 3.44Å; K517-D521 WeakPolarHBondContact O-CB 3.29Å; K517-D521 PolarHBondContact O-N 2.85Å
518	I	94	Very high	90.4	Very high	24 Å²	24	55.9 Å²	55.9	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-38.4	178.4	-70.1	165.1	0	0	0	111.4	R514 V515 R522 F565	R514-I518 WeakPolarHBondContact O-CG1 3.28Å; R514-I518 PolarHBondContact O-N 3.18Å; V515-I518 PolarHBondContact O-N 3.46Å; V515-I518 VanDerWaalsContact O-N 3.07Å; I518-R522 WeakPolarHBondContact O-CB 3.42Å; I518-R522 VanDerWaalsContact O-CG 3.28Å; I518-R522 WeakPolarHBondContact O-CG 3.46Å; I518-R522 PolarHBondContact O-N 3.46Å; I518-F565 HydrophobicContact CD1-CD1 4.09Å; I518-F565 HydrophobicContact CD1-CE1 3.95Å
519	Y	91.9	Very high	90.6	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-70.7	-37.3	175.5	-88.7	-89.9	0	0	0	113.1	V505 M511 V515 A516 K517 R522 Q523 H568 I571 P582	V505-Y519 HydrophobicContact CG2-CD1 3.71Å; V505-Y519 HydrophobicContact CG2-CE1 3.78Å; V505-Y519 HydrophobicContact CG2-CG 4.31Å; M511-Y519 HydrophobicContact SD-CD2 4.06Å; M511-Y519 HydrophobicContact SD-CG 4.14Å; V515-Y519 HydrophobicContact CG1-CD2 3.94Å; V515-Y519 HydrophobicContact CG1-CE2 4.09Å; V515-Y519 WeakPolarHBondContact O-CD2 3.13Å; V515-Y519 PolarHBondContact O-N 2.92Å; A516-Y519 PolarHBondContact O-N 3.23Å; K517-Y519 VanDerWaalsContact C-N 3.29Å; K517-Y519 PolarHBondContact O-N 2.82Å; Y519-R522 PolarHBondContact O-N 2.93Å; Y519-Q523 WeakPolarHBondContact O-CG 3.49Å; Y519-Q523 PolarHBondContact O-N 3.31Å; Y519-H568 HydrophobicContact CE2-CB 4.31Å; Y519-H568 PolarHBondContact OH-O 2.96Å; Y519-I571 HydrophobicContact CD2-CD1 4.29Å; Y519-I571 HydrophobicContact CE1-CD1 4.16Å; Y519-I571 HydrophobicContact CE2-CD1 3.69Å; Y519-I571 HydrophobicContact CE2-CG1 3.97Å; Y519-P582 HydrophobicContact CE1-CG 4.19Å
520	G	92.3	Very high	90.7	Very high	34 Å²	34	62.8 Å²	62.8	35%	0.351	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-45.3	170.6	0	0	0	0	0	112.7	A516 K517 R522 Q523 A524	A516-G520 PolarHBondContact O-N 3.5Å; K517-G520 PolarHBondContact O-N 3.29Å; G520-R522 VanDerWaalsContact C-N 3.26Å; G520-R522 PolarHBondContact O-N 3.39Å; G520-Q523 PolarHBondContact O-N 3.06Å; G520-Q523 VanDerWaalsContact O-N 3.15Å; G520-A524 PolarHBondContact O-N 2.84Å
521	D	93	Very high	90.8	Very high	42 Å²	42	62.2 Å²	62.2	23%	0.225	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-38.7	173.2	-84.4	-51.7	0	0	0	111.1	K517 A524 M525 K530	K517-D521 VanDerWaalsContact CE-OD2 3.32Å; K517-D521 WeakPolarHBondContact CE-OD2 3.35Å; K517-D521 WeakPolarHBondContact CG-OD2 3.44Å; K517-D521 WeakPolarHBondContact O-CB 3.29Å; K517-D521 PolarHBondContact O-N 2.85Å; D521-A524 PolarHBondContact O-N 3.18Å; D521-M525 HydrophobicContact CB-CE 4.43Å; D521-M525 VanDerWaalsContact O-CG 3.26Å; D521-M525 WeakPolarHBondContact O-CG 3.38Å; D521-M525 PolarHBondContact O-N 2.9Å; D521-K530 HydrophobicContact CB-CD 4.18Å; D521-K530 WeakPolarHBondContact O-CD 3.45Å; D521-K530 VanDerWaalsContact OD1-CE 3.31Å; D521-K530 WeakPolarHBondContact OD1-CE 3.38Å; D521-K530 IonicContact OD1-NZ 3.67Å; D521-K530 PolarHBondContact OD1-NZ 2.98Å
522	R	90.2	Very high	90.8	Very high	18 Å²	18	60.1 Å²	60.1	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-72.7	-30.6	174.9	-75.1	171	179.3	177.5	-0.4	114.6	I518 Y519 G520 M525 A526 G535 N539 H566 R567	I518-R522 WeakPolarHBondContact O-CB 3.42Å; I518-R522 VanDerWaalsContact O-CG 3.28Å; I518-R522 WeakPolarHBondContact O-CG 3.46Å; I518-R522 PolarHBondContact O-N 3.46Å; Y519-R522 PolarHBondContact O-N 2.93Å; G520-R522 VanDerWaalsContact C-N 3.26Å; G520-R522 PolarHBondContact O-N 3.39Å; R522-M525 HydrophobicContact CB-SD 4.47Å; R522-M525 HydrophobicContact CG-SD 3.99Å; R522-M525 WeakPolarHBondContact O-CB 3.33Å; R522-M525 PolarHBondContact O-N 3.25Å; R522-A526 PolarHBondContact O-N 3.01Å; R522-G535 PolarHBondContact NH2-O 3.5Å; R522-N539 PolarHBondContact NH1-ND2 3.01Å; R522-N539 VanDerWaalsContact NH1-ND2 3.11Å; R522-N539 PolarHBondContact NH2-ND2 2.84Å; R522-H566 PolarHBondContact NH2-O 3.09Å; R522-R567 PolarHBondContact NH1-O 2.93Å; R522-R567 PolarHBondContact NH2-O 2.95Å
523	Q	87.7	Confident	90.9	Very high	102 Å²	102	59.4 Å²	59.4	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-41.5	171.9	-75.2	172.9	-5.5	0	0	110.4	S503 Y519 G520 M525 A526 A527	S503-Q523 PolarHBondContact O-NE2 2.93Å; Y519-Q523 WeakPolarHBondContact O-CG 3.49Å; Y519-Q523 PolarHBondContact O-N 3.31Å; G520-Q523 PolarHBondContact O-N 3.06Å; G520-Q523 VanDerWaalsContact O-N 3.15Å; Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 3.04Å; Q523-A526 PolarHBondContact O-N 3.02Å; Q523-A527 WeakPolarHBondContact O-CB 3.31Å; Q523-A527 PolarHBondContact O-N 2.7Å
524	A	91.1	Very high	91.1	Very high	19 Å²	19	55.4 Å²	55.4	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-36.6	170.7	0	0	0	0	0	112.5	G520 D521 A527 G528 E529 K530	G520-A524 PolarHBondContact O-N 2.84Å; D521-A524 PolarHBondContact O-N 3.18Å; A524-A527 PolarHBondContact O-N 3.25Å; A524-G528 PolarHBondContact O-N 3.35Å; A524-G528 VanDerWaalsContact O-N 3.15Å; A524-E529 HydrophobicContact CB-CB 4.13Å; A524-E529 PolarHBondContact O-N 2.71Å; A524-K530 HydrophobicContact CB-CB 3.92Å; A524-K530 PolarHBondContact O-N 2.84Å
525	M	89.8	Confident	91	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-47.2	171.7	-64.7	163.6	-166.5	0	0	112.4	D521 R522 Q523 A527 G528 K530 F532 D533	D521-M525 HydrophobicContact CB-CE 4.43Å; D521-M525 VanDerWaalsContact O-CG 3.26Å; D521-M525 WeakPolarHBondContact O-CG 3.38Å; D521-M525 PolarHBondContact O-N 2.9Å; R522-M525 HydrophobicContact CB-SD 4.47Å; R522-M525 HydrophobicContact CG-SD 3.99Å; R522-M525 WeakPolarHBondContact O-CB 3.33Å; R522-M525 PolarHBondContact O-N 3.25Å; Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 3.04Å; M525-A527 PolarHBondContact O-N 2.96Å; M525-G528 PolarHBondContact O-N 3.08Å; M525-K530 WeakPolarHBondContact CA-O 3.45Å; M525-K530 HydrophobicContact CE-CD 3.74Å; M525-K530 HydrophobicContact CG-CB 4.15Å; M525-K530 HydrophobicContact CG-CD 3.96Å; M525-K530 HydrophobicContact CG-CG 4.41Å; M525-F532 HydrophobicContact CB-CD1 3.86Å; M525-F532 HydrophobicContact CB-CD2 3.97Å; M525-F532 HydrophobicContact CB-CE1 3.75Å; M525-F532 HydrophobicContact CB-CE2 3.84Å; M525-F532 HydrophobicContact CB-CG 3.97Å; M525-F532 HydrophobicContact CB-CZ 3.74Å; M525-F532 HydrophobicContact CG-CD1 4.25Å; M525-F532 HydrophobicContact CG-CG 4.25Å; M525-F532 WeakPolarHBondContact O-CE2 3.4Å; M525-F532 HydrophobicContact SD-CB 4.44Å; M525-F532 HydrophobicContact SD-CD1 3.88Å; M525-F532 HydrophobicContact SD-CE1 4.42Å; M525-F532 HydrophobicContact SD-CG 4.27Å; M525-D533 HydrophobicContact CE-CB 3.98Å; M525-D533 WeakPolarHBondContact CE-OD2 3.41Å
526	A	80.9	Confident	90.9	Very high	53 Å²	53	48.1 Å²	48.1	44%	0.438	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-26.3	178.7	0	0	0	0	0	113.2	R522 Q523	R522-A526 PolarHBondContact O-N 3.01Å; Q523-A526 PolarHBondContact O-N 3.02Å
527	A	82.8	Confident	90.9	Very high	67 Å²	67	46.3 Å²	46.3	55%	0.554	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.1	172.5	0	0	0	0	0	113.9	Q523 A524 M525 E529	Q523-A527 WeakPolarHBondContact O-CB 3.31Å; Q523-A527 PolarHBondContact O-N 2.7Å; A524-A527 PolarHBondContact O-N 3.25Å; M525-A527 PolarHBondContact O-N 2.96Å; A527-E529 VanDerWaalsContact C-N 3.28Å; A527-E529 HydrophobicContact CB-CG 3.99Å; A527-E529 PolarHBondContact O-N 2.87Å
528	G	81.7	Confident	91	Very high	52 Å²	52	39.6 Å²	39.6	54%	0.536	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	4.4	-175.5	0	0	0	0	0	115	A524 M525 K530	A524-G528 PolarHBondContact O-N 3.35Å; A524-G528 VanDerWaalsContact O-N 3.15Å; M525-G528 PolarHBondContact O-N 3.08Å; G528-K530 VanDerWaalsContact C-N 3.26Å; G528-K530 PolarHBondContact O-N 3.43Å
529	E	89.7	Confident	90.9	Very high	163 Å²	163	38.9 Å²	38.9	76%	0.762	23%	0.232	S	C	*	.	S	Bend	trans	-73	-20.3	176.9	-59.7	176.9	170	0	0	112.6	A524 A527	A524-E529 HydrophobicContact CB-CB 4.13Å; A524-E529 PolarHBondContact O-N 2.71Å; A527-E529 VanDerWaalsContact C-N 3.28Å; A527-E529 HydrophobicContact CB-CG 3.99Å; A527-E529 PolarHBondContact O-N 2.87Å
530	K	91.6	Very high	90.9	Very high	86 Å²	86	39.9 Å²	39.9	37%	0.374	24%	0.239	S	C	.	.	S	Bend	trans	-136.6	145	-177.7	-162.6	-162.7	-176.6	81.3	0	109.8	D521 A524 M525 G528	D521-K530 HydrophobicContact CB-CD 4.18Å; D521-K530 WeakPolarHBondContact O-CD 3.45Å; D521-K530 VanDerWaalsContact OD1-CE 3.31Å; D521-K530 WeakPolarHBondContact OD1-CE 3.38Å; D521-K530 IonicContact OD1-NZ 3.67Å; D521-K530 PolarHBondContact OD1-NZ 2.98Å; A524-K530 HydrophobicContact CB-CB 3.92Å; A524-K530 PolarHBondContact O-N 2.84Å; M525-K530 WeakPolarHBondContact CA-O 3.45Å; M525-K530 HydrophobicContact CE-CD 3.74Å; M525-K530 HydrophobicContact CG-CB 4.15Å; M525-K530 HydrophobicContact CG-CD 3.96Å; M525-K530 HydrophobicContact CG-CG 4.41Å; G528-K530 VanDerWaalsContact C-N 3.26Å; G528-K530 PolarHBondContact O-N 3.43Å
531	L	93.9	Very high	90.8	Very high	91 Å²	91	38.3 Å²	38.3	48%	0.476	22%	0.222	S	C	.	.			trans	-71.1	144	167.9	-59.3	177.4	0	0	0	110.2	V729 S730	L531-V729 HydrophobicContact CB-CB 3.82Å; L531-V729 HydrophobicContact CB-CG2 4.04Å; L531-V729 HydrophobicContact CD1-CB 4.37Å; L531-V729 HydrophobicContact CD1-CG2 3.66Å; L531-S730 CarbonylContact C-O 3.56Å
532	F	92.8	Very high	90.9	Very high	10 Å²	10	36.3 Å²	36.3	4%	0.044	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-64.3	132	177.8	-83.5	-93.2	0	0	0	111.4	M525 A537 L540 V729 S730 L732 L735	M525-F532 HydrophobicContact CB-CD1 3.86Å; M525-F532 HydrophobicContact CB-CD2 3.97Å; M525-F532 HydrophobicContact CB-CE1 3.75Å; M525-F532 HydrophobicContact CB-CE2 3.84Å; M525-F532 HydrophobicContact CB-CG 3.97Å; M525-F532 HydrophobicContact CB-CZ 3.74Å; M525-F532 HydrophobicContact CG-CD1 4.25Å; M525-F532 HydrophobicContact CG-CG 4.25Å; M525-F532 WeakPolarHBondContact O-CE2 3.4Å; M525-F532 HydrophobicContact SD-CB 4.44Å; M525-F532 HydrophobicContact SD-CD1 3.88Å; M525-F532 HydrophobicContact SD-CE1 4.42Å; M525-F532 HydrophobicContact SD-CG 4.27Å; F532-A537 HydrophobicContact CB-CB 4.38Å; F532-L540 HydrophobicContact CE1-CD2 4.09Å; F532-L540 HydrophobicContact CZ-CD2 3.97Å; F532-V729 VanDerWaalsContact O-CA 3.26Å; F532-V729 WeakPolarHBondContact O-CA 3.48Å; F532-S730 WeakPolarHBondContact CB-O 3.2Å; F532-S730 PolarHBondContact N-O 2.94Å; F532-S730 PolarHBondContact O-N 3.11Å; F532-L732 HydrophobicContact CE2-CB 4.28Å; F532-L732 HydrophobicContact CE2-CD1 4.01Å; F532-L735 HydrophobicContact CB-CD1 4.33Å; F532-L735 HydrophobicContact CD1-CD1 4.18Å; F532-L735 HydrophobicContact CD2-CD1 3.73Å; F532-L735 HydrophobicContact CE1-CD1 4.45Å; F532-L735 HydrophobicContact CE2-CD1 4.04Å; F532-L735 HydrophobicContact CG-CD1 3.81Å; F532-L735 HydrophobicContact CZ-CD1 4.39Å
533	D	96.2	Very high	90.8	Very high	45 Å²	45	35.8 Å²	35.8	24%	0.241	21%	0.211	C	C	.	.			trans	-83.8	175	161.8	75.3	29.2	0	0	0	111.1	M525 G535 G536 A537	M525-D533 HydrophobicContact CE-CB 3.98Å; M525-D533 WeakPolarHBondContact CE-OD2 3.41Å; D533-G535 PolarHBondContact O-N 3.34Å; D533-G535 PolarHBondContact OD1-N 2.86Å; D533-G536 PolarHBondContact O-N 3Å; D533-G536 PolarHBondContact OD1-N 3.44Å; D533-A537 PolarHBondContact O-N 2.97Å
534	W	97	Very high	90.8	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-48.4	-178.7	-160	-79.4	0	0	0	113.3	G536 A537 E538 P692 P695 V698 P719 L723	W534-G536 VanDerWaalsContact C-N 3.34Å; W534-G536 PolarHBondContact O-N 2.98Å; W534-A537 PolarHBondContact O-N 2.94Å; W534-E538 WeakPolarHBondContact O-CB 3.42Å; W534-E538 PolarHBondContact O-N 3.27Å; W534-P692 HydrophobicContact CH2-CB 3.83Å; W534-P692 HydrophobicContact CH2-CG 3.77Å; W534-P692 WeakPolarHBondContact CH2-O 3.27Å; W534-P692 HydrophobicContact CZ2-CB 4.38Å; W534-P692 HydrophobicContact CZ2-CG 3.92Å; W534-P695 HydrophobicContact CE3-CG 4.38Å; W534-V698 HydrophobicContact CD2-CG1 3.97Å; W534-V698 HydrophobicContact CE3-CG1 4.45Å; W534-V698 HydrophobicContact CG-CG1 4.42Å; W534-V698 HydrophobicContact CH2-CB 4.18Å; W534-V698 HydrophobicContact CH2-CG1 4.25Å; W534-V698 HydrophobicContact CZ2-CB 3.59Å; W534-V698 HydrophobicContact CZ2-CG1 3.74Å; W534-V698 HydrophobicContact CZ2-CG2 4.03Å; W534-P719 HydrophobicContact CD2-CG 3.84Å; W534-P719 HydrophobicContact CE3-CG 3.81Å; W534-P719 HydrophobicContact CH2-CG 3.62Å; W534-P719 HydrophobicContact CZ2-CG 3.64Å; W534-P719 HydrophobicContact CZ3-CG 3.7Å; W534-L723 HydrophobicContact CB-CD2 3.74Å; W534-L723 VanDerWaalsContact CD1-CD2 3.45Å; W534-L723 HydrophobicContact CD2-CD2 4.09Å; W534-L723 HydrophobicContact CG-CD2 3.46Å; W534-L723 VanDerWaalsContact CG-CD2 3.46Å
535	G	94.2	Very high	90.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-27.2	-176.5	0	0	0	0	0	113	R522 D533 N539	R522-G535 PolarHBondContact NH2-O 3.5Å; D533-G535 PolarHBondContact O-N 3.34Å; D533-G535 PolarHBondContact OD1-N 2.86Å; G535-N539 WeakPolarHBondContact O-CB 3.37Å; G535-N539 PolarHBondContact O-N 2.99Å; G535-N539 PolarHBondContact O-ND2 3.31Å
536	G	91.6	Very high	90.9	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-52	169.1	0	0	0	0	0	112	D533 W534 N539 L540	D533-G536 PolarHBondContact O-N 3Å; D533-G536 PolarHBondContact OD1-N 3.44Å; W534-G536 VanDerWaalsContact C-N 3.34Å; W534-G536 PolarHBondContact O-N 2.98Å; G536-N539 PolarHBondContact O-N 3.13Å; G536-L540 WeakPolarHBondContact O-CB 3.44Å; G536-L540 PolarHBondContact O-N 3.06Å
537	A	93.1	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-179	0	0	0	0	0	112.5	F532 D533 W534 L540 A541 P695 L735	F532-A537 HydrophobicContact CB-CB 4.38Å; D533-A537 PolarHBondContact O-N 2.97Å; W534-A537 PolarHBondContact O-N 2.94Å; A537-L540 PolarHBondContact O-N 2.86Å; A537-A541 PolarHBondContact O-N 3.39Å; A537-P695 HydrophobicContact CB-CB 3.56Å; A537-P695 WeakPolarHBondContact CB-O 3.37Å; A537-L735 HydrophobicContact CB-CD1 4.35Å; A537-L735 HydrophobicContact CB-CD2 4.46Å
538	E	96.3	Very high	91.1	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-49.8	174.9	-173.9	-171.9	156.5	0	0	111.6	W534 L540 A541 Y542 H566 R567 L702	W534-E538 WeakPolarHBondContact O-CB 3.42Å; W534-E538 PolarHBondContact O-N 3.27Å; E538-L540 VanDerWaalsContact C-N 3.32Å; E538-L540 PolarHBondContact O-N 2.89Å; E538-A541 WeakPolarHBondContact O-CB 3.31Å; E538-A541 PolarHBondContact O-N 2.69Å; E538-A541 VanDerWaalsContact O-N 3.16Å; E538-Y542 HydrophobicContact CG-CE2 3.92Å; E538-Y542 PolarHBondContact O-N 2.97Å; E538-Y542 VanDerWaalsContact O-N 3.1Å; E538-Y542 PolarHBondContact OE1-OH 3.02Å; E538-Y542 VanDerWaalsContact OE1-OH 3.06Å; E538-H566 IonicContact OE1-NE2 3.83Å; E538-H566 PolarHBondContact OE1-NE2 3.17Å; E538-H566 IonicContact OE2-CD2 3.36Å; E538-H566 IonicContact OE2-NE2 2.96Å; E538-H566 PolarHBondContact OE2-NE2 3.09Å; E538-R567 IonicContact OE1-CZ 3.58Å; E538-R567 IonicContact OE1-NE 3.58Å; E538-R567 PolarHBondContact OE1-NE 2.74Å; E538-R567 IonicContact OE1-NH2 3.79Å; E538-R567 PolarHBondContact OE1-NH2 3.41Å; E538-R567 IonicContact OE2-NH2 2.7Å; E538-L702 HydrophobicContact CG-CD1 4.25Å
539	N	92	Very high	91.5	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-29.7	176.5	-76.7	-22.2	0	0	0	112.8	R522 G535 G536 Y542 A543 R567	R522-N539 PolarHBondContact NH1-ND2 3.01Å; R522-N539 VanDerWaalsContact NH1-ND2 3.11Å; R522-N539 PolarHBondContact NH2-ND2 2.84Å; G535-N539 WeakPolarHBondContact O-CB 3.37Å; G535-N539 PolarHBondContact O-N 2.99Å; G535-N539 PolarHBondContact O-ND2 3.31Å; G536-N539 PolarHBondContact O-N 3.13Å; N539-Y542 PolarHBondContact O-N 2.72Å; N539-A543 WeakPolarHBondContact O-CB 3.46Å; N539-A543 PolarHBondContact O-N 1.82Å; N539-R567 PolarHBondContact ND2-O 3.3Å
540	L	89.9	Confident	91.6	Very high	34 Å²	34	23.8 Å²	23.8	18%	0.178	12%	0.122	C	C	.	.	H	α-helix	trans	-70.7	-31.6	172.4	-169.3	67.2	0	0	0	112	I502 F532 G536 A537 E538 A543 T544 Y699 L735	I502-L540 HydrophobicContact CD1-CD1 4.11Å; F532-L540 HydrophobicContact CE1-CD2 4.09Å; F532-L540 HydrophobicContact CZ-CD2 3.97Å; G536-L540 WeakPolarHBondContact O-CB 3.44Å; G536-L540 PolarHBondContact O-N 3.06Å; A537-L540 PolarHBondContact O-N 2.86Å; E538-L540 VanDerWaalsContact C-N 3.32Å; E538-L540 PolarHBondContact O-N 2.89Å; L540-A543 HydrophobicContact CD1-CB 4.42Å; L540-A543 WeakPolarHBondContact O-CB 3.09Å; L540-A543 PolarHBondContact O-N 2.98Å; L540-T544 HydrophobicContact CG-CG2 4.44Å; L540-T544 WeakPolarHBondContact O-CG2 3.44Å; L540-T544 PolarHBondContact O-N 3.36Å; L540-T544 PolarHBondContact O-OG1 2.89Å; L540-Y699 HydrophobicContact CB-CD2 4.41Å; L540-Y699 HydrophobicContact CB-CE2 4.4Å; L540-Y699 HydrophobicContact CD2-CE2 4.23Å; L540-Y699 HydrophobicContact CG-CE2 4.07Å; L540-L735 HydrophobicContact CD2-CD1 3.77Å
541	A	91.9	Very high	91.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-44	172.2	0	0	0	0	0	110.6	A537 E538 T544 L545 Y699 L702	A537-A541 PolarHBondContact O-N 3.39Å; E538-A541 WeakPolarHBondContact O-CB 3.31Å; E538-A541 PolarHBondContact O-N 2.69Å; E538-A541 VanDerWaalsContact O-N 3.16Å; A541-T544 PolarHBondContact O-OG1 3.4Å; A541-L545 WeakPolarHBondContact O-CB 3.48Å; A541-L545 WeakPolarHBondContact O-CG 3.46Å; A541-L545 PolarHBondContact O-N 2.97Å; A541-Y699 HydrophobicContact CB-CD2 3.65Å; A541-Y699 HydrophobicContact CB-CE2 4.39Å; A541-Y699 HydrophobicContact CB-CG 4.21Å; A541-L702 HydrophobicContact CB-CB 4.11Å; A541-L702 HydrophobicContact CB-CD1 4.09Å
542	Y	94.8	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.2	-57.7	-26	0	0	0	112	E538 N539 L545 V546 V552 L554 F593 I622 L702	E538-Y542 HydrophobicContact CG-CE2 3.92Å; E538-Y542 PolarHBondContact O-N 2.97Å; E538-Y542 VanDerWaalsContact O-N 3.1Å; E538-Y542 PolarHBondContact OE1-OH 3.02Å; E538-Y542 VanDerWaalsContact OE1-OH 3.06Å; N539-Y542 PolarHBondContact O-N 2.72Å; Y542-L545 PolarHBondContact O-N 3.08Å; Y542-V546 WeakPolarHBondContact O-CG2 3.49Å; Y542-V546 PolarHBondContact O-N 2.99Å; Y542-V552 HydrophobicContact CD1-CG1 3.91Å; Y542-V552 HydrophobicContact CE1-CG1 4.36Å; Y542-V552 HydrophobicContact CG-CG1 4.21Å; Y542-L554 HydrophobicContact CE2-CD2 4.27Å; Y542-F593 AromaticContact CD2-CE2 3.82Å; Y542-F593 HydrophobicContact CD2-CE2 3.82Å; Y542-F593 HydrophobicContact CD2-CZ 4.3Å; Y542-F593 HydrophobicContact CG-CE2 4Å; Y542-I622 HydrophobicContact CD1-CD1 4.3Å; Y542-I622 HydrophobicContact CE1-CD1 3.33Å; Y542-L702 HydrophobicContact CE1-CD1 3.83Å
543	A	88.4	Confident	92.2	Very high	7 Å²	7	15.8 Å²	15.8	6%	0.058	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-52.5	177.1	0	0	0	0	0	113	I502 N539 L540 L545 V546 D547 L583	I502-A543 HydrophobicContact CB-CB 4.11Å; I502-A543 HydrophobicContact CD1-CB 3.66Å; I502-A543 HydrophobicContact CG1-CB 3.66Å; I502-A543 HydrophobicContact CG2-CB 3.37Å; N539-A543 WeakPolarHBondContact O-CB 3.46Å; N539-A543 PolarHBondContact O-N 1.82Å; L540-A543 HydrophobicContact CD1-CB 4.42Å; L540-A543 WeakPolarHBondContact O-CB 3.09Å; L540-A543 PolarHBondContact O-N 2.98Å; A543-L545 VanDerWaalsContact C-N 3.32Å; A543-L545 PolarHBondContact O-N 3.02Å; A543-V546 WeakPolarHBondContact O-CG2 3.42Å; A543-V546 PolarHBondContact O-N 3.24Å; A543-D547 PolarHBondContact O-N 3.46Å; A543-L583 HydrophobicContact CB-CD2 4.45Å
544	T	87.4	Confident	92.3	Very high	31 Å²	31	13.6 Å²	13.6	19%	0.19	7%	0.074	C	C	.	.	H	α-helix	trans	-72.2	-26.7	-176.5	56.1	0	0	0	0	112.2	L540 A541 D547 E548 Y699 R703	L540-T544 HydrophobicContact CG-CG2 4.44Å; L540-T544 WeakPolarHBondContact O-CG2 3.44Å; L540-T544 PolarHBondContact O-N 3.36Å; L540-T544 PolarHBondContact O-OG1 2.89Å; A541-T544 PolarHBondContact O-OG1 3.4Å; T544-D547 WeakPolarHBondContact O-CB 3.48Å; T544-D547 PolarHBondContact O-N 2.93Å; T544-E548 VanDerWaalsContact O-OE1 3.09Å; T544-Y699 HydrophobicContact CG2-CE2 4.43Å; T544-R703 PolarHBondContact O-NH1 3.27Å; T544-R703 WeakPolarHBondContact OG1-CD 3.42Å; T544-R703 PolarHBondContact OG1-NH1 2.76Å
545	L	90.6	Very high	92.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-72.5	-44.7	172.4	-79	179.6	0	0	0	112.6	A541 Y542 A543 D547 E548 I550 V552 L620 R703 A706 L707	A541-L545 WeakPolarHBondContact O-CB 3.48Å; A541-L545 WeakPolarHBondContact O-CG 3.46Å; A541-L545 PolarHBondContact O-N 2.97Å; Y542-L545 PolarHBondContact O-N 3.08Å; A543-L545 VanDerWaalsContact C-N 3.32Å; A543-L545 PolarHBondContact O-N 3.02Å; L545-D547 PolarHBondContact O-N 3.36Å; L545-E548 PolarHBondContact O-N 3.14Å; L545-I550 HydrophobicContact CD2-CD1 4.31Å; L545-I550 WeakPolarHBondContact O-CB 3.24Å; L545-I550 PolarHBondContact O-N 3.1Å; L545-V552 HydrophobicContact CB-CG2 4.26Å; L545-L620 HydrophobicContact CD1-CB 4.44Å; L545-L620 HydrophobicContact CD1-CD2 3.34Å; L545-L620 HydrophobicContact CD1-CG 4.46Å; L545-R703 HydrophobicContact CD2-CB 4.44Å; L545-R703 HydrophobicContact CD2-CG 4.2Å; L545-R703 HydrophobicContact CG-CG 4.08Å; L545-A706 HydrophobicContact CD1-CB 3.59Å; L545-A706 HydrophobicContact CD2-CB 3.57Å; L545-A706 HydrophobicContact CG-CB 4.19Å; L545-L707 HydrophobicContact CD2-CD1 3.99Å; L545-L707 HydrophobicContact CD2-CD2 4.14Å; L545-L707 HydrophobicContact CD2-CG 3.71Å
546	V	91.4	Very high	92.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-27.4	170.7	-57.3	0	0	0	0	110.5	L498 A499 Y542 A543 E548 G549 I550 V552 I586	L498-V546 WeakPolarHBondContact CB-O 3.23Å; L498-V546 HydrophobicContact CD1-CB 3.8Å; L498-V546 HydrophobicContact CD1-CG2 4.14Å; A499-V546 VanDerWaalsContact CB-C 3.45Å; A499-V546 HydrophobicContact CB-CG2 4.02Å; Y542-V546 WeakPolarHBondContact O-CG2 3.49Å; Y542-V546 PolarHBondContact O-N 2.99Å; A543-V546 WeakPolarHBondContact O-CG2 3.42Å; A543-V546 PolarHBondContact O-N 3.24Å; V546-E548 PolarHBondContact O-N 2.83Å; V546-E548 VanDerWaalsContact O-N 3.13Å; V546-G549 WeakPolarHBondContact O-CA 3.27Å; V546-G549 PolarHBondContact O-N 2.96Å; V546-I550 WeakPolarHBondContact CA-O 3.14Å; V546-I550 WeakPolarHBondContact CG1-O 3.46Å; V546-V552 HydrophobicContact CG1-CB 4.21Å; V546-V552 HydrophobicContact CG1-CG2 3.71Å; V546-I586 HydrophobicContact CG2-CD1 3.3Å; V546-I586 HydrophobicContact CG2-CG2 4.05Å
547	D	83.9	Confident	92.5	Very high	66 Å²	66	14 Å²	14	35%	0.353	7%	0.074	S	C	.	.	H	α-helix	trans	-53.5	-29.1	170.9	-143.8	82.3	0	0	0	114.8	L498 A499 K500 A543 T544 L545 G549	L498-D547 CarbonylContact C-O 3.47Å; A499-D547 HydrophobicContact CB-CB 3.72Å; A499-D547 WeakPolarHBondContact CB-OD1 3.29Å; K500-D547 WeakPolarHBondContact CA-OD1 3.47Å; K500-D547 PolarHBondContact N-OD1 3.31Å; A543-D547 PolarHBondContact O-N 3.46Å; T544-D547 WeakPolarHBondContact O-CB 3.48Å; T544-D547 PolarHBondContact O-N 2.93Å; L545-D547 PolarHBondContact O-N 3.36Å; D547-G549 VanDerWaalsContact C-N 3.3Å
548	E	85.2	Confident	92.6	Very high	86 Å²	86	17.1 Å²	17.1	40%	0.402	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	25	178.6	-67	160.6	-100.5	0	0	110.8	T544 L545 V546 I550 R703 L707	T544-E548 VanDerWaalsContact O-OE1 3.09Å; L545-E548 PolarHBondContact O-N 3.14Å; V546-E548 PolarHBondContact O-N 2.83Å; V546-E548 VanDerWaalsContact O-N 3.13Å; E548-I550 HydrophobicContact CB-CD1 4.28Å; E548-I550 PolarHBondContact O-N 2.85Å; E548-R703 IonicContact OE1-CZ 2.72Å; E548-R703 IonicContact OE1-NH1 3.9Å; E548-R703 PolarHBondContact OE1-NH1 3.26Å; E548-R703 IonicContact OE1-NH2 1.82Å; E548-R703 PolarHBondContact OE1-NH2 3.27Å; E548-R703 IonicContact OE2-NH2 3.08Å; E548-L707 HydrophobicContact CB-CD2 4.25Å; E548-L707 WeakPolarHBondContact OE2-CD2 3.36Å
549	G	88.9	Confident	92.5	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-20.1	177.9	0	0	0	0	0	115.6	V546 D547 P551 G591	V546-G549 WeakPolarHBondContact O-CA 3.27Å; V546-G549 PolarHBondContact O-N 2.96Å; D547-G549 VanDerWaalsContact C-N 3.3Å; G549-P551 WeakPolarHBondContact O-CD 3.39Å; G549-P551 VanDerWaalsContact O-N 3.15Å; G549-G591 WeakPolarHBondContact O-CA 3.36Å
550	I	92.6	Very high	92.7	Very high	22 Å²	22	16.6 Å²	16.6	11%	0.113	9%	0.089	C	C	.	.			trans	-60.5	109.8	-176.1	-67.7	163.4	0	0	0	109.3	L545 V546 E548 R618 A706 L707	L545-I550 HydrophobicContact CD2-CD1 4.31Å; L545-I550 WeakPolarHBondContact O-CB 3.24Å; L545-I550 PolarHBondContact O-N 3.1Å; V546-I550 WeakPolarHBondContact CA-O 3.14Å; V546-I550 WeakPolarHBondContact CG1-O 3.46Å; E548-I550 HydrophobicContact CB-CD1 4.28Å; E548-I550 PolarHBondContact O-N 2.85Å; I550-R618 WeakPolarHBondContact CG2-O 3.42Å; I550-A706 HydrophobicContact CD1-CB 4.42Å; I550-A706 HydrophobicContact CG2-CB 3.84Å; I550-L707 HydrophobicContact CD1-CD2 3.46Å; I550-L707 VanDerWaalsContact CD1-CD2 3.46Å; I550-L707 HydrophobicContact CD1-CG 4.3Å
551	P	95.2	Very high	93	Very high	16 Å²	16	19 Å²	19	10%	0.104	10%	0.095	C	C	.	.			trans	-63.1	156.5	178.1	-19.3	32.7	0	0	0	110.7	G549 A592 T619 L620	G549-P551 WeakPolarHBondContact O-CD 3.39Å; G549-P551 VanDerWaalsContact O-N 3.15Å; P551-A592 WeakPolarHBondContact CA-O 3.5Å; P551-A592 HydrophobicContact CB-CB 4.42Å; P551-A592 WeakPolarHBondContact CB-O 3.35Å; P551-T619 HydrophobicContact CB-CG2 4.14Å; P551-T619 CarbonylContact O-C 3.57Å; P551-T619 VanDerWaalsContact O-CA 3.24Å; P551-T619 WeakPolarHBondContact O-CA 3.42Å; P551-T619 WeakPolarHBondContact O-CG2 3.45Å; P551-L620 PolarHBondContact O-N 3.4Å
552	V	97.4	Very high	93.1	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.7	176.4	177.5	0	0	0	0	109	Y542 L545 V546 A592 F593 R594 L620 I622	Y542-V552 HydrophobicContact CD1-CG1 3.91Å; Y542-V552 HydrophobicContact CE1-CG1 4.36Å; Y542-V552 HydrophobicContact CG-CG1 4.21Å; L545-V552 HydrophobicContact CB-CG2 4.26Å; V546-V552 HydrophobicContact CG1-CB 4.21Å; V546-V552 HydrophobicContact CG1-CG2 3.71Å; V552-A592 PolarHBondContact N-O 3.05Å; V552-F593 HydrophobicContact CB-CD2 3.84Å; V552-F593 HydrophobicContact CB-CE2 4.24Å; V552-F593 HydrophobicContact CG1-CD2 4Å; V552-F593 HydrophobicContact CG1-CE2 3.86Å; V552-F593 WeakPolarHBondContact O-CA 3.46Å; V552-R594 PolarHBondContact O-N 2.87Å; V552-L620 WeakPolarHBondContact CA-O 3.4Å; V552-L620 HydrophobicContact CG2-CB 4.3Å; V552-I622 HydrophobicContact CG1-CD1 4.47Å
553	R	98.2	Very high	93.1	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.6	172.5	178.2	173.5	170	98.6	11.5	108.7	G362 R594 E609 Y612 T619 L620 T621 I622	G362-R553 PolarHBondContact O-NH1 3.29Å; G362-R553 PolarHBondContact O-NH2 2.8Å; R553-R594 WeakPolarHBondContact CA-O 3.42Å; R553-E609 WeakPolarHBondContact CD-OE2 3.37Å; R553-E609 IonicContact CZ-OE1 3.2Å; R553-E609 IonicContact CZ-OE2 3.69Å; R553-E609 IonicContact NE-OE1 3.83Å; R553-E609 PolarHBondContact NE-OE1 2.83Å; R553-E609 IonicContact NE-OE2 3.93Å; R553-E609 PolarHBondContact NE-OE2 2.96Å; R553-E609 IonicContact NH2-OE1 3.13Å; R553-E609 PolarHBondContact NH2-OE1 2.93Å; R553-E609 IonicContact NH2-OE2 2.72Å; R553-Y612 HydrophobicContact CB-CE1 4.41Å; R553-T619 HydrophobicContact CB-CG2 3.73Å; R553-L620 PolarHBondContact N-O 3.33Å; R553-T621 WeakPolarHBondContact O-CA 3.42Å; R553-I622 PolarHBondContact O-N 2.65Å
554	L	98.1	Very high	93.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.5	172.2	175.1	63.8	0	0	0	108.9	Y542 R567 R594 V595 W596 I622 E624	Y542-L554 HydrophobicContact CE2-CD2 4.27Å; L554-R567 VanDerWaalsContact CD2-CD 3.48Å; L554-R594 PolarHBondContact N-O 2.86Å; L554-V595 HydrophobicContact CB-CB 4.35Å; L554-V595 HydrophobicContact CB-CG2 4.07Å; L554-V595 HydrophobicContact CD2-CG2 3.84Å; L554-V595 HydrophobicContact CG-CG2 3.98Å; L554-V595 CarbonylContact O-C 3.51Å; L554-V595 VanDerWaalsContact O-CA 3.28Å; L554-V595 WeakPolarHBondContact O-CA 3.45Å; L554-W596 PolarHBondContact O-N 3.42Å; L554-I622 HydrophobicContact CD1-CB 3.85Å; L554-I622 HydrophobicContact CD1-CG2 3.63Å; L554-E624 HydrophobicContact CD1-CB 4.41Å
555	S	97.9	Very high	93.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.1	-168.9	-166.9	0	0	0	0	109.8	Y363 W596 E609 I622 W623 E624	Y363-S555 PolarHBondContact OH-OG 3.36Å; S555-W596 WeakPolarHBondContact CA-O 3.47Å; S555-E609 WeakPolarHBondContact CB-OE1 3.49Å; S555-E609 VanDerWaalsContact OG-CD 3.31Å; S555-E609 PolarHBondContact OG-OE1 2.85Å; S555-I622 PolarHBondContact N-O 3.13Å; S555-W623 VanDerWaalsContact O-CA 3.27Å; S555-W623 WeakPolarHBondContact O-CA 3.5Å; S555-E624 PolarHBondContact O-N 3.38Å
556	G	96.6	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	171	-175.6	0	0	0	0	0	112.9	D558 S559 W596 D597 S598 E624	G556-D558 PolarHBondContact O-N 2.96Å; G556-S559 VanDerWaalsContact C-OG 3.26Å; G556-S559 VanDerWaalsContact CA-OG 3.31Å; G556-S559 WeakPolarHBondContact CA-OG 3.24Å; G556-S559 PolarHBondContact O-N 3.22Å; G556-S559 PolarHBondContact O-OG 2.85Å; G556-W596 PolarHBondContact N-O 2.88Å; G556-D597 CarbonylContact O-C 3.28Å; G556-D597 VanDerWaalsContact O-CA 3.31Å; G556-D597 WeakPolarHBondContact O-CA 3.31Å; G556-S598 VanDerWaalsContact C-OG 3.28Å; G556-S598 PolarHBondContact O-N 2.99Å; G556-E624 WeakPolarHBondContact CA-O 3.43Å
557	E	93.5	Very high	94.3	Very high	19 Å²	19	23 Å²	23	9%	0.089	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	128	-176.9	-66.4	-175.3	-176.2	0	0	110.7	S559 S598 L600 S601 Q626	E557-S559 PolarHBondContact O-N 3.27Å; E557-S598 WeakPolarHBondContact CG-OG 3.3Å; E557-S598 PolarHBondContact N-OG 3.46Å; E557-L600 VanDerWaalsContact OE1-CA 3.3Å; E557-L600 WeakPolarHBondContact OE1-CA 3.3Å; E557-L600 WeakPolarHBondContact OE1-CG 3.26Å; E557-S601 PolarHBondContact OE1-N 2.97Å; E557-Q626 HydrophobicContact CB-CB 4.11Å; E557-Q626 HydrophobicContact CB-CG 4.42Å; E557-Q626 PolarHBondContact OE2-NE2 3.44Å
558	D	93.8	Very high	94.9	Very high	64 Å²	64	20.3 Å²	20.3	34%	0.342	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	8.1	-173.8	-73.9	-91.8	0	0	0	115.9	G556 G560 R561 G562	G556-D558 PolarHBondContact O-N 2.96Å; D558-G560 VanDerWaalsContact C-N 3.25Å; D558-G560 PolarHBondContact O-N 3.43Å; D558-R561 PolarHBondContact O-N 3.04Å; D558-R561 IonicContact OD1-CZ 2.75Å; D558-R561 IonicContact OD1-NH1 3.17Å; D558-R561 PolarHBondContact OD1-NH1 3.29Å; D558-R561 IonicContact OD1-NH2 2.69Å; D558-R561 PolarHBondContact OD1-NH2 2.85Å; D558-G562 PolarHBondContact O-N 3.14Å
559	S	95.8	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.1	-168	-68.1	0	0	0	0	115.6	G556 E557 R561 G562 R567 E624	G556-S559 VanDerWaalsContact C-OG 3.26Å; G556-S559 VanDerWaalsContact CA-OG 3.31Å; G556-S559 WeakPolarHBondContact CA-OG 3.24Å; G556-S559 PolarHBondContact O-N 3.22Å; G556-S559 PolarHBondContact O-OG 2.85Å; E557-S559 PolarHBondContact O-N 3.27Å; S559-R561 VanDerWaalsContact C-N 3.28Å; S559-R561 PolarHBondContact O-N 3.25Å; S559-G562 PolarHBondContact O-N 3.19Å; S559-R567 PolarHBondContact O-NH1 3.01Å; S559-E624 VanDerWaalsContact CB-OE2 3.31Å; S559-E624 WeakPolarHBondContact CB-OE2 3.46Å; S559-E624 PolarHBondContact OG-OE2 3.09Å
560	G	94.8	Very high	95.6	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.7	172.4	0	0	0	0	0	113.1	D558 A569 V570 D597	D558-G560 VanDerWaalsContact C-N 3.25Å; D558-G560 PolarHBondContact O-N 3.43Å; G560-A569 PolarHBondContact O-N 3.3Å; G560-V570 PolarHBondContact O-N 3.29Å; G560-V570 VanDerWaalsContact O-N 3.08Å; G560-D597 VanDerWaalsContact CA-OD1 3.31Å; G560-D597 WeakPolarHBondContact CA-OD1 3.32Å; G560-D597 PolarHBondContact N-OD1 2.81Å
561	R	96	Very high	95.7	Very high	84 Å²	84	15.9 Å²	15.9	32%	0.317	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-35.6	168	-172.7	-168	72.1	-125.4	1.6	111.8	D558 S559 T563 F565 R567 H568	D558-R561 PolarHBondContact O-N 3.04Å; D558-R561 IonicContact OD1-CZ 2.75Å; D558-R561 IonicContact OD1-NH1 3.17Å; D558-R561 PolarHBondContact OD1-NH1 3.29Å; D558-R561 IonicContact OD1-NH2 2.69Å; D558-R561 PolarHBondContact OD1-NH2 2.85Å; S559-R561 VanDerWaalsContact C-N 3.28Å; S559-R561 PolarHBondContact O-N 3.25Å; R561-T563 PolarHBondContact NH2-O 3.19Å; R561-F565 HydrophobicContact CG-CD2 4.41Å; R561-R567 PolarHBondContact O-N 2.83Å; R561-H568 PolarHBondContact O-N 3.44Å
562	G	94.7	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.			trans	79	132.2	-158.4	0	0	0	0	0	110.6	D558 S559 F564 F565	D558-G562 PolarHBondContact O-N 3.14Å; S559-G562 PolarHBondContact O-N 3.19Å; G562-F564 VanDerWaalsContact C-N 3.26Å; G562-F564 PolarHBondContact O-N 2.92Å; G562-F565 PolarHBondContact O-N 3.02Å
563	T	94.7	Very high	95.5	Very high	21 Å²	21	20.1 Å²	20.1	13%	0.129	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-54.4	-179.3	-47.3	0	0	0	0	111.4	R561 F565 Q626 F627	R561-T563 PolarHBondContact NH2-O 3.19Å; T563-F565 VanDerWaalsContact C-N 3.26Å; T563-F565 PolarHBondContact O-N 3.27Å; T563-Q626 HydrophobicContact CG2-CG 3.69Å; T563-Q626 PolarHBondContact OG1-O 2.69Å; T563-F627 HydrophobicContact CG2-CE2 4.29Å
564	F	96.1	Very high	95.3	Very high	38 Å²	38	25 Å²	25	17%	0.167	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	14.4	-171.7	-49.2	-72.2	0	0	0	114.6	G562 F627 P660 K720 L723 R724	G562-F564 VanDerWaalsContact C-N 3.26Å; G562-F564 PolarHBondContact O-N 2.92Å; F564-F627 AromaticContact CE1-CE1 3.8Å; F564-F627 HydrophobicContact CE1-CE1 3.8Å; F564-F627 HydrophobicContact CE1-CE2 4.28Å; F564-F627 AromaticContact CE1-CZ 3.67Å; F564-F627 HydrophobicContact CE1-CZ 3.67Å; F564-F627 HydrophobicContact CZ-CD1 4.27Å; F564-F627 HydrophobicContact CZ-CE1 4.01Å; F564-F627 HydrophobicContact CZ-CE2 4.39Å; F564-F627 HydrophobicContact CZ-CZ 4.08Å; F564-P660 HydrophobicContact CE2-CB 3.59Å; F564-P660 HydrophobicContact CE2-CG 3.67Å; F564-P660 HydrophobicContact CZ-CB 3.7Å; F564-P660 HydrophobicContact CZ-CG 4.11Å; F564-K720 HydrophobicContact CD1-CG 4.4Å; F564-K720 HydrophobicContact CE1-CB 4.39Å; F564-K720 HydrophobicContact CE1-CD 4.06Å; F564-K720 HydrophobicContact CE1-CG 3.87Å; F564-K720 HydrophobicContact CE2-CG 4.05Å; F564-K720 HydrophobicContact CZ-CD 3.97Å; F564-K720 HydrophobicContact CZ-CG 3.69Å; F564-L723 HydrophobicContact CB-CD1 3.58Å; F564-L723 HydrophobicContact CD2-CD1 3.74Å; F564-L723 HydrophobicContact CG-CD1 3.87Å; F564-R724 PolarHBondContact O-NH2 3.24Å
565	F	95.4	Very high	95	Very high	48 Å²	48	29 Å²	29	21%	0.211	15%	0.145	C	C	.	.	S	Bend	trans	59.8	49.9	178.8	-159.5	-84.5	0	0	0	111.4	R514 V515 I518 R561 G562 T563 H568 R724	R514-F565 HydrophobicContact CB-CE1 3.98Å; R514-F565 HydrophobicContact CB-CZ 4.16Å; V515-F565 HydrophobicContact CG2-CZ 4.21Å; I518-F565 HydrophobicContact CD1-CD1 4.09Å; I518-F565 HydrophobicContact CD1-CE1 3.95Å; R561-F565 HydrophobicContact CG-CD2 4.41Å; G562-F565 PolarHBondContact O-N 3.02Å; T563-F565 VanDerWaalsContact C-N 3.26Å; T563-F565 PolarHBondContact O-N 3.27Å; F565-H568 AromaticContact CD1-CE1 3.75Å; F565-H568 AromaticContact CD1-NE2 3.26Å; F565-H568 VanDerWaalsContact CD1-NE2 3.26Å; F565-H568 WeakPolarHBondContact CD1-NE2 3.35Å; F565-H568 AromaticContact CD2-CE1 3.8Å; F565-H568 AromaticContact CE1-CE1 3.64Å; F565-H568 AromaticContact CE1-NE2 3.45Å; F565-H568 WeakPolarHBondContact CE1-NE2 3.48Å; F565-H568 AromaticContact CE2-CE1 3.69Å; F565-H568 AromaticContact CG-CE1 3.81Å; F565-H568 AromaticContact CG-NE2 3.55Å; F565-H568 AromaticContact CZ-CE1 3.6Å; F565-H568 AromaticContact CZ-NE2 3.92Å; F565-R724 PolarHBondContact O-NH2 3.28Å
566	H	95.5	Very high	94.8	Very high	16 Å²	16	34 Å²	34	7%	0.074	17%	0.172	C	C	.	.			trans	-122.7	-36.9	-174	77.9	-71.2	0	0	0	114	R522 E538 E624 L723	R522-H566 PolarHBondContact NH2-O 3.09Å; E538-H566 IonicContact OE1-NE2 3.83Å; E538-H566 PolarHBondContact OE1-NE2 3.17Å; E538-H566 IonicContact OE2-CD2 3.36Å; E538-H566 IonicContact OE2-NE2 2.96Å; E538-H566 PolarHBondContact OE2-NE2 3.09Å; H566-E624 IonicContact CE1-OE1 3.45Å; H566-E624 PolarHBondContact CE1-OE1 3.29Å; H566-L723 HydrophobicContact CB-CB 4.32Å; H566-L723 HydrophobicContact CB-CD1 4.18Å
567	R	96.6	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.			trans	-82.9	-54.9	-171.3	-171.6	-179.3	-63.4	105.9	7.4	113	R522 E538 N539 L554 S559 R561 A569 E624	R522-R567 PolarHBondContact NH1-O 2.93Å; R522-R567 PolarHBondContact NH2-O 2.95Å; E538-R567 IonicContact OE1-CZ 3.58Å; E538-R567 IonicContact OE1-NE 3.58Å; E538-R567 PolarHBondContact OE1-NE 2.74Å; E538-R567 IonicContact OE1-NH2 3.79Å; E538-R567 PolarHBondContact OE1-NH2 3.41Å; E538-R567 IonicContact OE2-NH2 2.7Å; N539-R567 PolarHBondContact ND2-O 3.3Å; L554-R567 VanDerWaalsContact CD2-CD 3.48Å; S559-R567 PolarHBondContact O-NH1 3.01Å; R561-R567 PolarHBondContact O-N 2.83Å; R567-A569 VanDerWaalsContact C-N 3.31Å; R567-A569 HydrophobicContact CG-CB 4.08Å; R567-A569 PolarHBondContact O-N 2.82Å; R567-E624 IonicContact CZ-OE1 2.72Å; R567-E624 IonicContact CZ-OE2 3.47Å; R567-E624 IonicContact NH1-OE1 2.75Å; R567-E624 PolarHBondContact NH1-OE1 3.38Å; R567-E624 IonicContact NH1-OE2 2.67Å; R567-E624 PolarHBondContact NH1-OE2 3.43Å; R567-E624 IonicContact NH2-OE1 3.74Å; R567-E624 PolarHBondContact NH2-OE1 3.32Å; R567-E624 IonicContact NH2-OE2 3.17Å; R567-E624 PolarHBondContact NH2-OE2 2.87Å
568	H	95.6	Very high	94.5	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.037	21%	0.213	C	C	.	.			trans	45.6	51.7	-174.2	-60.8	-81.7	0	0	0	112.8	Y519 R561 F565 V570	Y519-H568 HydrophobicContact CE2-CB 4.31Å; Y519-H568 PolarHBondContact OH-O 2.96Å; R561-H568 PolarHBondContact O-N 3.44Å; F565-H568 AromaticContact CD1-CE1 3.75Å; F565-H568 AromaticContact CD1-NE2 3.26Å; F565-H568 VanDerWaalsContact CD1-NE2 3.26Å; F565-H568 WeakPolarHBondContact CD1-NE2 3.35Å; F565-H568 AromaticContact CD2-CE1 3.8Å; F565-H568 AromaticContact CE1-CE1 3.64Å; F565-H568 AromaticContact CE1-NE2 3.45Å; F565-H568 WeakPolarHBondContact CE1-NE2 3.48Å; F565-H568 AromaticContact CE2-CE1 3.69Å; F565-H568 AromaticContact CG-CE1 3.81Å; F565-H568 AromaticContact CG-NE2 3.55Å; F565-H568 AromaticContact CZ-CE1 3.6Å; F565-H568 AromaticContact CZ-NE2 3.92Å; H568-V570 VanDerWaalsContact C-N 3.27Å
569	A	94.1	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.			trans	-69.7	-30.1	174.3	0	0	0	0	0	111.3	G560 R567 P582 L583 F593 V595	G560-A569 PolarHBondContact O-N 3.3Å; R567-A569 VanDerWaalsContact C-N 3.31Å; R567-A569 HydrophobicContact CG-CB 4.08Å; R567-A569 PolarHBondContact O-N 2.82Å; A569-P582 WeakPolarHBondContact O-CD 3.03Å; A569-L583 HydrophobicContact CB-CD1 4.31Å; A569-F593 HydrophobicContact CB-CE1 4.27Å; A569-F593 HydrophobicContact CB-CZ 4.22Å; A569-V595 HydrophobicContact CB-CG1 4.19Å
570	V	95.1	Very high	94.3	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.091	23%	0.225	C	C	.	.	S	Bend	trans	-105.7	130.1	169.8	-171.3	0	0	0	0	109.8	G560 H568 T579 V595	G560-V570 PolarHBondContact O-N 3.29Å; G560-V570 VanDerWaalsContact O-N 3.08Å; H568-V570 VanDerWaalsContact C-N 3.27Å; V570-T579 HydrophobicContact CG1-CG2 3.77Å; V570-V595 HydrophobicContact CG2-CG1 3.46Å; V570-V595 VanDerWaalsContact CG2-CG1 3.46Å
571	I	94.8	Very high	94.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.8	173.1	-53.9	179.3	0	0	0	108.2	V505 V509 M511 Y519 T579 Y580 P582	V505-I571 HydrophobicContact CB-CD1 4.26Å; V505-I571 HydrophobicContact CG1-CD1 3.76Å; V505-I571 HydrophobicContact CG2-CD1 3.4Å; V505-I571 VanDerWaalsContact CG2-CD1 3.4Å; V509-I571 HydrophobicContact CG1-CB 4.42Å; V509-I571 HydrophobicContact CG1-CG2 3.73Å; M511-I571 HydrophobicContact CG-CG2 3.77Å; M511-I571 HydrophobicContact SD-CD1 4.22Å; Y519-I571 HydrophobicContact CD2-CD1 4.29Å; Y519-I571 HydrophobicContact CE1-CD1 4.16Å; Y519-I571 HydrophobicContact CE2-CD1 3.69Å; Y519-I571 HydrophobicContact CE2-CG1 3.97Å; I571-T579 CarbonylContact O-C 3.42Å; I571-T579 WeakPolarHBondContact O-CA 3.31Å; I571-Y580 WeakPolarHBondContact CB-O 3.33Å; I571-Y580 HydrophobicContact CD1-CD1 4.38Å; I571-Y580 PolarHBondContact N-O 3.23Å; I571-Y580 PolarHBondContact O-N 2.9Å; I571-P582 HydrophobicContact CD1-CG 3.86Å; I571-P582 HydrophobicContact CG1-CG 4.43Å
572	H	95	Very high	94.1	Very high	100 Å²	100	37 Å²	37	46%	0.463	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.5	174.2	-68.4	-105.2	0	0	0	110.2	Q574	H572-Q574 PolarHBondContact O-N 3.2Å; H572-Q574 PolarHBondContact O-NE2 2.77Å
573	N	93.7	Very high	93.9	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.032	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.3	118.1	177.3	-172	-20.8	0	0	0	110.2	A508 V509 E510 S575 N576 G577 S578	A508-N573 PolarHBondContact O-ND2 3.42Å; V509-N573 HydrophobicContact CG1-CB 4.23Å; E510-N573 WeakPolarHBondContact CB-OD1 3.22Å; E510-N573 PolarHBondContact N-OD1 3.09Å; E510-N573 WeakPolarHBondContact O-CA 3.17Å; N573-S575 VanDerWaalsContact C-N 3.34Å; N573-S575 PolarHBondContact O-N 2.8Å; N573-S575 PolarHBondContact OD1-N 2.93Å; N573-S575 PolarHBondContact OD1-OG 3.2Å; N573-N576 WeakPolarHBondContact CB-OD1 3.4Å; N573-N576 PolarHBondContact ND2-ND2 3.35Å; N573-N576 PolarHBondContact ND2-OD1 3.44Å; N573-G577 WeakPolarHBondContact O-CA 3.19Å; N573-G577 PolarHBondContact O-N 2.79Å; N573-S578 VanDerWaalsContact CB-O 3.29Å; N573-S578 WeakPolarHBondContact CB-O 3.47Å; N573-S578 PolarHBondContact N-O 3.39Å
574	Q	93.2	Very high	93.7	Very high	102 Å²	102	40 Å²	40	48%	0.477	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.9	-172.7	-60.3	-59	-91.7	0	0	113.4	E510 Q512 H572	E510-Q574 HydrophobicContact CB-CB 4.48Å; E510-Q574 HydrophobicContact CG-CB 4.32Å; E510-Q574 WeakPolarHBondContact O-CG 3.31Å; E510-Q574 PolarHBondContact O-N 3.41Å; Q512-Q574 HydrophobicContact CB-CG 3.98Å; H572-Q574 PolarHBondContact O-N 3.2Å; H572-Q574 PolarHBondContact O-NE2 2.77Å
575	S	92.4	Very high	93.3	Very high	84 Å²	84	42.4 Å²	42.4	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.1	-177	9.2	0	0	0	0	114.5	E510 N573	E510-S575 WeakPolarHBondContact CB-OG 3.38Å; E510-S575 VanDerWaalsContact OE2-CB 3.22Å; E510-S575 WeakPolarHBondContact OE2-CB 3.47Å; E510-S575 PolarHBondContact OE2-OG 3.05Å; N573-S575 VanDerWaalsContact C-N 3.34Å; N573-S575 PolarHBondContact O-N 2.8Å; N573-S575 PolarHBondContact OD1-N 2.93Å; N573-S575 PolarHBondContact OD1-OG 3.2Å
576	N	92.4	Very high	92.4	Very high	107 Å²	107	40.2 Å²	40.2	57%	0.572	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-146.5	-0.7	-176.8	66.5	27.7	0	0	0	116.5	N573 S578	N573-N576 WeakPolarHBondContact CB-OD1 3.4Å; N573-N576 PolarHBondContact ND2-ND2 3.35Å; N573-N576 PolarHBondContact ND2-OD1 3.44Å; N576-S578 PolarHBondContact O-N 2.92Å; N576-S578 VanDerWaalsContact OD1-CB 3.25Å; N576-S578 WeakPolarHBondContact OD1-CB 3.44Å; N576-S578 PolarHBondContact OD1-N 3.08Å; N576-S578 PolarHBondContact OD1-OG 3.42Å
577	G	90.9	Very high	91.5	Very high	53 Å²	53	42.9 Å²	42.9	55%	0.546	24%	0.239	S	C	.	.			trans	74.1	0.4	178.5	0	0	0	0	0	115.9	N573	N573-G577 WeakPolarHBondContact O-CA 3.19Å; N573-G577 PolarHBondContact O-N 2.79Å
578	S	93.2	Very high	90.6	Very high	59 Å²	59	48.8 Å²	48.8	41%	0.413	27%	0.271	S	S	.	.			trans	-68.8	155.2	176.3	66.3	0	0	0	0	112	N573 N576	N573-S578 VanDerWaalsContact CB-O 3.29Å; N573-S578 WeakPolarHBondContact CB-O 3.47Å; N573-S578 PolarHBondContact N-O 3.39Å; N576-S578 PolarHBondContact O-N 2.92Å; N576-S578 VanDerWaalsContact OD1-CB 3.25Å; N576-S578 WeakPolarHBondContact OD1-CB 3.44Å; N576-S578 PolarHBondContact OD1-N 3.08Å; N576-S578 PolarHBondContact OD1-OG 3.42Å
579	T	94	Very high	89.7	Confident	74 Å²	74	51.2 Å²	51.2	45%	0.454	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.8	-174.8	52	0	0	0	0	112.2	V570 I571	V570-T579 HydrophobicContact CG1-CG2 3.77Å; I571-T579 CarbonylContact O-C 3.42Å; I571-T579 WeakPolarHBondContact O-CA 3.31Å
580	Y	93	Very high	89.2	Confident	32 Å²	32	54 Å²	54	13%	0.125	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.5	169.3	-177.6	-102.4	0	0	0	110.7	T504 V505 P506 V509 I571 P582 H585	T504-Y580 PolarHBondContact O-OH 3.2Å; V505-Y580 HydrophobicContact CG1-CD1 4.11Å; V505-Y580 HydrophobicContact CG1-CE1 4.37Å; P506-Y580 VanDerWaalsContact CD-CE1 3.41Å; P506-Y580 HydrophobicContact CG-CD2 4.44Å; P506-Y580 HydrophobicContact CG-CE1 4.4Å; P506-Y580 HydrophobicContact CG-CE2 3.87Å; V509-Y580 HydrophobicContact CG2-CG 4.08Å; I571-Y580 WeakPolarHBondContact CB-O 3.33Å; I571-Y580 HydrophobicContact CD1-CD1 4.38Å; I571-Y580 PolarHBondContact N-O 3.23Å; I571-Y580 PolarHBondContact O-N 2.9Å; Y580-P582 HydrophobicContact CD1-CG 3.86Å; Y580-P582 HydrophobicContact CE1-CB 3.92Å; Y580-P582 HydrophobicContact CE1-CG 3.68Å; Y580-H585 AromaticContact CD2-CE1 3.77Å; Y580-H585 AromaticContact CD2-ND1 3.97Å; Y580-H585 HydrophobicContact CE2-CB 4.36Å; Y580-H585 AromaticContact CE2-CD2 3.79Å; Y580-H585 AromaticContact CE2-CE1 3.44Å; Y580-H585 VanDerWaalsContact CE2-CE1 3.44Å; Y580-H585 WeakPolarHBondContact CE2-CE1 3.49Å; Y580-H585 AromaticContact CE2-CG 3.53Å; Y580-H585 AromaticContact CE2-ND1 3.3Å; Y580-H585 VanDerWaalsContact CE2-ND1 3.3Å; Y580-H585 WeakPolarHBondContact CE2-ND1 3.2Å; Y580-H585 AromaticContact CE2-NE2 3.73Å; Y580-H585 AromaticContact CZ-CG 3.76Å; Y580-H585 AromaticContact CZ-ND1 3.65Å; Y580-H585 WeakPolarHBondContact OH-CB 3.47Å
581	T	94.1	Very high	88.9	Confident	10 Å²	10	53.6 Å²	53.6	6%	0.061	31%	0.31	C	S	.	.			trans	-114.8	102	178.9	-51.8	0	0	0	0	107.9	L583 Q584 H585 F593	T581-L583 PolarHBondContact O-N 3.03Å; T581-Q584 VanDerWaalsContact CB-OE1 3.26Å; T581-Q584 HydrophobicContact CG2-CB 4.26Å; T581-Q584 HydrophobicContact CG2-CG 3.74Å; T581-Q584 WeakPolarHBondContact O-CB 3.34Å; T581-Q584 PolarHBondContact O-N 3.29Å; T581-Q584 PolarHBondContact OG1-OE1 2.83Å; T581-H585 PolarHBondContact O-ND1 2.58Å; T581-F593 HydrophobicContact CG2-CD1 3.9Å; T581-F593 HydrophobicContact CG2-CE1 4.05Å
582	P	90.5	Very high	88.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.013	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.5	-35	-175.2	-23.1	32.8	0	0	0	112.8	I502 V505 Y519 A569 I571 Y580 Q584 H585	I502-P582 WeakPolarHBondContact O-CB 3.39Å; V505-P582 HydrophobicContact CG2-CG 4.25Å; Y519-P582 HydrophobicContact CE1-CG 4.19Å; A569-P582 WeakPolarHBondContact O-CD 3.03Å; I571-P582 HydrophobicContact CD1-CG 3.86Å; I571-P582 HydrophobicContact CG1-CG 4.43Å; Y580-P582 HydrophobicContact CD1-CG 3.86Å; Y580-P582 HydrophobicContact CE1-CB 3.92Å; Y580-P582 HydrophobicContact CE1-CG 3.68Å; P582-Q584 PolarHBondContact O-N 3.05Å; P582-Q584 VanDerWaalsContact O-N 3.1Å; P582-H585 PolarHBondContact O-N 2.93Å; P582-H585 VanDerWaalsContact O-N 3.09Å
583	L	91.2	Very high	88.9	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.6	-9.8	175.7	-73.5	132.8	0	0	0	114.9	I502 A543 A569 T581 I586 Q590 F593	I502-L583 HydrophobicContact CG2-CD2 3.65Å; I502-L583 HydrophobicContact CG2-CG 3.83Å; A543-L583 HydrophobicContact CB-CD2 4.45Å; A569-L583 HydrophobicContact CB-CD1 4.31Å; T581-L583 PolarHBondContact O-N 3.03Å; L583-I586 HydrophobicContact CB-CD1 4.28Å; L583-I586 HydrophobicContact CD2-CD1 4.2Å; L583-I586 WeakPolarHBondContact O-CD1 3.33Å; L583-Q590 PolarHBondContact O-NE2 2.88Å; L583-F593 HydrophobicContact CB-CB 3.96Å; L583-F593 HydrophobicContact CB-CD1 3.47Å; L583-F593 VanDerWaalsContact CB-CD1 3.47Å; L583-F593 HydrophobicContact CB-CD2 3.81Å; L583-F593 HydrophobicContact CB-CE1 3.87Å; L583-F593 HydrophobicContact CB-CE2 4.21Å; L583-F593 HydrophobicContact CB-CG 3.44Å; L583-F593 VanDerWaalsContact CB-CG 3.44Å; L583-F593 HydrophobicContact CB-CZ 4.24Å; L583-F593 HydrophobicContact CD1-CD1 4.48Å; L583-F593 HydrophobicContact CD1-CD2 4.46Å; L583-F593 HydrophobicContact CD1-CE1 4.02Å; L583-F593 HydrophobicContact CD1-CE2 4.03Å; L583-F593 HydrophobicContact CD1-CZ 3.79Å; L583-F593 HydrophobicContact CD2-CD2 3.95Å; L583-F593 HydrophobicContact CD2-CE2 4.08Å; L583-F593 HydrophobicContact CD2-CG 4.46Å; L583-F593 HydrophobicContact CG-CD1 4.5Å; L583-F593 HydrophobicContact CG-CD2 4.29Å; L583-F593 HydrophobicContact CG-CE2 4.34Å; L583-F593 HydrophobicContact CG-CG 4.4Å; L583-F593 HydrophobicContact CG-CZ 4.45Å; L583-F593 VanDerWaalsContact O-CB 3.28Å; L583-F593 WeakPolarHBondContact O-CB 3.46Å
584	Q	91.9	Very high	89	Confident	78 Å²	78	52.4 Å²	52.4	36%	0.364	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-95.3	-11.6	174.2	-74.9	175	-21.6	0	0	113.9	T581 P582 I586 Q590 F593	T581-Q584 VanDerWaalsContact CB-OE1 3.26Å; T581-Q584 HydrophobicContact CG2-CB 4.26Å; T581-Q584 HydrophobicContact CG2-CG 3.74Å; T581-Q584 WeakPolarHBondContact O-CB 3.34Å; T581-Q584 PolarHBondContact O-N 3.29Å; T581-Q584 PolarHBondContact OG1-OE1 2.83Å; P582-Q584 PolarHBondContact O-N 3.05Å; P582-Q584 VanDerWaalsContact O-N 3.1Å; Q584-I586 VanDerWaalsContact C-N 3.32Å; Q584-Q590 PolarHBondContact O-OE1 3.03Å; Q584-F593 HydrophobicContact CG-CB 4.33Å; Q584-F593 HydrophobicContact CG-CD1 4.4Å; Q584-F593 WeakPolarHBondContact CG-O 3.36Å; Q584-F593 PolarHBondContact NE2-O 2.84Å
585	H	86.7	Confident	89.2	Confident	90 Å²	90	48 Å²	48	42%	0.417	28%	0.284	S	S	.	.	S	Bend	trans	-103.5	26	-173	-66.6	81.2	0	0	0	111.8	R501 Y580 T581 P582	R501-H585 VanDerWaalsContact CD-O 3.31Å; R501-H585 WeakPolarHBondContact CD-O 3.37Å; Y580-H585 AromaticContact CD2-CE1 3.77Å; Y580-H585 AromaticContact CD2-ND1 3.97Å; Y580-H585 HydrophobicContact CE2-CB 4.36Å; Y580-H585 AromaticContact CE2-CD2 3.79Å; Y580-H585 AromaticContact CE2-CE1 3.44Å; Y580-H585 VanDerWaalsContact CE2-CE1 3.44Å; Y580-H585 WeakPolarHBondContact CE2-CE1 3.49Å; Y580-H585 AromaticContact CE2-CG 3.53Å; Y580-H585 AromaticContact CE2-ND1 3.3Å; Y580-H585 VanDerWaalsContact CE2-ND1 3.3Å; Y580-H585 WeakPolarHBondContact CE2-ND1 3.2Å; Y580-H585 AromaticContact CE2-NE2 3.73Å; Y580-H585 AromaticContact CZ-CG 3.76Å; Y580-H585 AromaticContact CZ-ND1 3.65Å; Y580-H585 WeakPolarHBondContact OH-CB 3.47Å; T581-H585 PolarHBondContact O-ND1 2.58Å; P582-H585 PolarHBondContact O-N 2.93Å; P582-H585 VanDerWaalsContact O-N 3.09Å
586	I	76.7	Confident	89.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-84.1	-52.9	-150.1	-108.3	-179.3	0	0	0	111.6	L498 A499 R501 I502 V546 L583 Q584 Q590	L498-I586 HydrophobicContact CD1-CG2 3.72Å; L498-I586 HydrophobicContact CD2-CG2 3.99Å; L498-I586 HydrophobicContact CG-CG2 4.44Å; A499-I586 HydrophobicContact CB-CG2 3.27Å; A499-I586 CarbonylContact O-C 3.22Å; R501-I586 WeakPolarHBondContact CA-O 3.37Å; R501-I586 WeakPolarHBondContact CB-O 3.43Å; R501-I586 WeakPolarHBondContact CD-O 3.15Å; R501-I586 WeakPolarHBondContact CG-O 3.32Å; R501-I586 PolarHBondContact N-O 2.86Å; R501-I586 PolarHBondContact NE-O 2.72Å; I502-I586 HydrophobicContact CB-CG1 4.47Å; I502-I586 HydrophobicContact CG2-CD1 3.22Å; I502-I586 HydrophobicContact CG2-CG1 3.46Å; I502-I586 VanDerWaalsContact CG2-CG1 3.46Å; V546-I586 HydrophobicContact CG2-CD1 3.3Å; V546-I586 HydrophobicContact CG2-CG2 4.05Å; L583-I586 HydrophobicContact CB-CD1 4.28Å; L583-I586 HydrophobicContact CD2-CD1 4.2Å; L583-I586 WeakPolarHBondContact O-CD1 3.33Å; Q584-I586 VanDerWaalsContact C-N 3.32Å; I586-Q590 VanDerWaalsContact CB-OE1 3.27Å
587	H	77	Confident	89.6	Confident	72 Å²	72	43.2 Å²	43.2	33%	0.333	25%	0.249	S	C	.	.			trans	-154.9	-173.1	143.7	73.1	51.3	0	0	0	111.4	L498 A499 R501 Q590	L498-H587 HydrophobicContact CD2-CB 4.31Å; L498-H587 WeakPolarHBondContact CD2-ND1 3.48Å; L498-H587 PolarHBondContact O-CE1 3.5Å; L498-H587 PolarHBondContact O-NE2 2.93Å; A499-H587 PolarHBondContact N-CE1 3.29Å; A499-H587 PolarHBondContact N-NE2 2.73Å; A499-H587 WeakPolarHBondContact O-CB 3.44Å; A499-H587 PolarHBondContact O-CD2 2.94Å; A499-H587 PolarHBondContact O-N 3.23Å; R501-H587 VanDerWaalsContact CZ-CA 3.46Å; H587-Q590 PolarHBondContact O-OE1 2.83Å; H587-Q590 VanDerWaalsContact O-OE1 3.1Å
588	N	76.7	Confident	89.9	Confident	125 Å²	125	41.8 Å²	41.8	67%	0.668	23%	0.231	S	C	*	.	S	Bend	trans	-85.7	144	-179.4	-59.1	44.3	0	0	0	108	R501	R501-N588 PolarHBondContact NH1-OD1 2.86Å; R501-N588 VanDerWaalsContact NH1-OD1 3.09Å; R501-N588 PolarHBondContact NH2-OD1 2.79Å
589	G	76.3	Confident	90.1	Very high	59 Å²	59	40.4 Å²	40.4	61%	0.608	22%	0.22	S	C	*	.	S	Bend	trans	76.2	63.4	-163.5	0	0	0	0	0	110.2	L498	L498-G589 WeakPolarHBondContact CD2-O 3.3Å; L498-G589 WeakPolarHBondContact CG-O 3.34Å
590	Q	85.3	Confident	90.2	Very high	57 Å²	57	43.7 Å²	43.7	27%	0.266	23%	0.234	S	C	.	.			trans	-96.6	95.6	-159.8	178.9	82.8	45.4	0	0	114.2	L498 L583 Q584 I586 H587 A592	L498-Q590 HydrophobicContact CD1-CB 4.29Å; L498-Q590 HydrophobicContact CD1-CG 4.06Å; L498-Q590 VanDerWaalsContact CD1-NE2 3.31Å; L498-Q590 HydrophobicContact CD2-CB 4.26Å; L498-Q590 VanDerWaalsContact CG-CA 3.42Å; L498-Q590 HydrophobicContact CG-CB 4.41Å; L583-Q590 PolarHBondContact O-NE2 2.88Å; Q584-Q590 PolarHBondContact O-OE1 3.03Å; I586-Q590 VanDerWaalsContact CB-OE1 3.27Å; H587-Q590 PolarHBondContact O-OE1 2.83Å; H587-Q590 VanDerWaalsContact O-OE1 3.1Å; Q590-A592 PolarHBondContact O-N 3.16Å
591	G	89	Confident	90.4	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	23%	0.23	C	C	.	.			trans	-36.7	107.9	146.6	0	0	0	0	0	111.1	E497 L498 G549 F593	E497-G591 PolarHBondContact O-N 2.9Å; L498-G591 WeakPolarHBondContact CD1-O 3.46Å; G549-G591 WeakPolarHBondContact O-CA 3.36Å; G591-F593 PolarHBondContact O-N 2.94Å
592	A	93	Very high	90.6	Very high	16 Å²	16	44 Å²	44	13%	0.132	24%	0.237	C	C	.	.			trans	-77.3	120.1	-156.3	0	0	0	0	0	112.3	P551 V552 Q590 R594	P551-A592 WeakPolarHBondContact CA-O 3.5Å; P551-A592 HydrophobicContact CB-CB 4.42Å; P551-A592 WeakPolarHBondContact CB-O 3.35Å; V552-A592 PolarHBondContact N-O 3.05Å; Q590-A592 PolarHBondContact O-N 3.16Å; A592-R594 HydrophobicContact CB-CG 4.4Å; A592-R594 VanDerWaalsContact CB-CZ 3.45Å
593	F	95.5	Very high	91	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122	162.4	-173.4	-90.9	0	0	0	109.5	Y542 V552 A569 T581 L583 Q584 G591 V595	Y542-F593 AromaticContact CD2-CE2 3.82Å; Y542-F593 HydrophobicContact CD2-CE2 3.82Å; Y542-F593 HydrophobicContact CD2-CZ 4.3Å; Y542-F593 HydrophobicContact CG-CE2 4Å; V552-F593 HydrophobicContact CB-CD2 3.84Å; V552-F593 HydrophobicContact CB-CE2 4.24Å; V552-F593 HydrophobicContact CG1-CD2 4Å; V552-F593 HydrophobicContact CG1-CE2 3.86Å; V552-F593 WeakPolarHBondContact O-CA 3.46Å; A569-F593 HydrophobicContact CB-CE1 4.27Å; A569-F593 HydrophobicContact CB-CZ 4.22Å; T581-F593 HydrophobicContact CG2-CD1 3.9Å; T581-F593 HydrophobicContact CG2-CE1 4.05Å; L583-F593 HydrophobicContact CB-CB 3.96Å; L583-F593 HydrophobicContact CB-CD1 3.47Å; L583-F593 VanDerWaalsContact CB-CD1 3.47Å; L583-F593 HydrophobicContact CB-CD2 3.81Å; L583-F593 HydrophobicContact CB-CE1 3.87Å; L583-F593 HydrophobicContact CB-CE2 4.21Å; L583-F593 HydrophobicContact CB-CG 3.44Å; L583-F593 VanDerWaalsContact CB-CG 3.44Å; L583-F593 HydrophobicContact CB-CZ 4.24Å; L583-F593 HydrophobicContact CD1-CD1 4.48Å; L583-F593 HydrophobicContact CD1-CD2 4.46Å; L583-F593 HydrophobicContact CD1-CE1 4.02Å; L583-F593 HydrophobicContact CD1-CE2 4.03Å; L583-F593 HydrophobicContact CD1-CZ 3.79Å; L583-F593 HydrophobicContact CD2-CD2 3.95Å; L583-F593 HydrophobicContact CD2-CE2 4.08Å; L583-F593 HydrophobicContact CD2-CG 4.46Å; L583-F593 HydrophobicContact CG-CD1 4.5Å; L583-F593 HydrophobicContact CG-CD2 4.29Å; L583-F593 HydrophobicContact CG-CE2 4.34Å; L583-F593 HydrophobicContact CG-CG 4.4Å; L583-F593 HydrophobicContact CG-CZ 4.45Å; L583-F593 VanDerWaalsContact O-CB 3.28Å; L583-F593 WeakPolarHBondContact O-CB 3.46Å; Q584-F593 HydrophobicContact CG-CB 4.33Å; Q584-F593 HydrophobicContact CG-CD1 4.4Å; Q584-F593 WeakPolarHBondContact CG-O 3.36Å; Q584-F593 PolarHBondContact NE2-O 2.84Å; G591-F593 PolarHBondContact O-N 2.94Å; F593-V595 HydrophobicContact CE1-CB 3.76Å; F593-V595 HydrophobicContact CE1-CG1 3.72Å; F593-V595 HydrophobicContact CZ-CB 4.11Å; F593-V595 HydrophobicContact CZ-CG1 4.46Å
594	R	95.6	Very high	91.4	Very high	65 Å²	65	45.5 Å²	45.5	25%	0.245	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113	177.1	-63	-179	-178.2	120.2	5	108.9	D324 V552 R553 L554 A592 W596	D324-R594 PolarHBondContact O-NH1 2.82Å; D324-R594 WeakPolarHBondContact OD2-CD 3.17Å; D324-R594 IonicContact OD2-CZ 3.36Å; D324-R594 IonicContact OD2-NE 3.91Å; D324-R594 IonicContact OD2-NH1 2.83Å; D324-R594 PolarHBondContact OD2-NH1 2.96Å; V552-R594 PolarHBondContact O-N 2.87Å; R553-R594 WeakPolarHBondContact CA-O 3.42Å; L554-R594 PolarHBondContact N-O 2.86Å; A592-R594 HydrophobicContact CB-CG 4.4Å; A592-R594 VanDerWaalsContact CB-CZ 3.45Å; R594-W596 HydrophobicContact CB-CZ2 4.35Å
595	V	96.9	Very high	91.7	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.5	172.2	62.2	0	0	0	0	109.8	L554 A569 V570 F593	L554-V595 HydrophobicContact CB-CB 4.35Å; L554-V595 HydrophobicContact CB-CG2 4.07Å; L554-V595 HydrophobicContact CD2-CG2 3.84Å; L554-V595 HydrophobicContact CG-CG2 3.98Å; L554-V595 CarbonylContact O-C 3.51Å; L554-V595 VanDerWaalsContact O-CA 3.28Å; L554-V595 WeakPolarHBondContact O-CA 3.45Å; A569-V595 HydrophobicContact CB-CG1 4.19Å; V570-V595 HydrophobicContact CG2-CG1 3.46Å; V570-V595 VanDerWaalsContact CG2-CG1 3.46Å; F593-V595 HydrophobicContact CE1-CB 3.76Å; F593-V595 HydrophobicContact CE1-CG1 3.72Å; F593-V595 HydrophobicContact CZ-CB 4.11Å; F593-V595 HydrophobicContact CZ-CG1 4.46Å
596	W	97.7	Very high	92.3	Very high	41 Å²	41	37.5 Å²	37.5	16%	0.155	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	118	-178.8	-54.8	113.6	0	0	0	110.5	R361 G362 L554 S555 G556 R594 S598	R361-W596 HydrophobicContact CB-CZ3 4.06Å; R361-W596 HydrophobicContact CG-CE3 3.8Å; R361-W596 HydrophobicContact CG-CZ3 3.7Å; G362-W596 VanDerWaalsContact CA-CG 3.48Å; L554-W596 PolarHBondContact O-N 3.42Å; S555-W596 WeakPolarHBondContact CA-O 3.47Å; G556-W596 PolarHBondContact N-O 2.88Å; R594-W596 HydrophobicContact CB-CZ2 4.35Å; W596-S598 PolarHBondContact O-N 3.26Å
597	D	97.5	Very high	93.3	Very high	50 Å²	50	37.4 Å²	37.4	27%	0.267	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	123.9	160.7	-35.8	-80.1	0	0	0	107.5	R361 G556 G560	R361-D597 IonicContact NH2-OD2 2.77Å; R361-D597 PolarHBondContact NH2-OD2 3.12Å; G556-D597 CarbonylContact O-C 3.28Å; G556-D597 VanDerWaalsContact O-CA 3.31Å; G556-D597 WeakPolarHBondContact O-CA 3.31Å; G560-D597 VanDerWaalsContact CA-OD1 3.31Å; G560-D597 WeakPolarHBondContact CA-OD1 3.32Å; G560-D597 PolarHBondContact N-OD1 2.81Å
598	S	96.7	Very high	94.4	Very high	24 Å²	24	34 Å²	34	17%	0.168	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-76.5	169.6	-173.5	68.1	0	0	0	0	112.9	Y363 G556 E557 W596	Y363-S598 WeakPolarHBondContact OH-CA 3.49Å; Y363-S598 WeakPolarHBondContact OH-CB 3.33Å; G556-S598 VanDerWaalsContact C-OG 3.28Å; G556-S598 PolarHBondContact O-N 2.99Å; E557-S598 WeakPolarHBondContact CG-OG 3.3Å; E557-S598 PolarHBondContact N-OG 3.46Å; W596-S598 PolarHBondContact O-N 3.26Å
599	V	96.2	Very high	95.4	Very high	29 Å²	29	28.1 Å²	28.1	18%	0.176	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-70.3	157.7	152.8	-67.5	0	0	0	0	108.8	M357 A360 S601 V605	M357-V599 HydrophobicContact CG-CG2 3.61Å; A360-V599 HydrophobicContact CB-CG1 4.17Å; V599-S601 PolarHBondContact O-N 2.69Å; V599-V605 HydrophobicContact CG2-CG2 4.24Å
600	L	97.5	Very high	96.5	Very high	143 Å²	143	25.6 Å²	25.6	75%	0.749	13%	0.131	S	C	*	.	S	Bend	trans	-72.3	100.3	176.9	-158.1	171.6	0	0	0	108.8	E557	E557-L600 VanDerWaalsContact OE1-CA 3.3Å; E557-L600 WeakPolarHBondContact OE1-CA 3.3Å; E557-L600 WeakPolarHBondContact OE1-CG 3.26Å
601	S	97.3	Very high	97.1	Very high	6 Å²	6	23 Å²	23	4%	0.042	12%	0.119	C	C	.	.			trans	179.6	123.3	-170.6	157.1	0	0	0	0	108.8	E353 E557 V599 V605	E353-S601 WeakPolarHBondContact OE2-CB 3.41Å; E353-S601 PolarHBondContact OE2-OG 3.17Å; E557-S601 PolarHBondContact OE1-N 2.97Å; V599-S601 PolarHBondContact O-N 2.69Å; S601-V605 VanDerWaalsContact O-CB 3.29Å; S601-V605 WeakPolarHBondContact O-CB 3.26Å; S601-V605 WeakPolarHBondContact O-CG2 3.31Å
602	E	98.2	Very high	97.6	Very high	44 Å²	44	22.8 Å²	22.8	21%	0.206	12%	0.116	C	C	.	.	S	Bend	trans	-95.5	-42.2	173.7	-53.6	88.1	162.2	0	0	111.9	L606 W623 A634	E602-L606 WeakPolarHBondContact O-CB 3.35Å; E602-L606 PolarHBondContact O-N 2.85Å; E602-W623 HydrophobicContact CB-CH2 4.31Å; E602-W623 HydrophobicContact CB-CZ2 4Å; E602-W623 HydrophobicContact CG-CH2 4.47Å; E602-W623 HydrophobicContact CG-CZ2 4.18Å; E602-A634 HydrophobicContact CB-CB 4.24Å; E602-A634 WeakPolarHBondContact O-CB 3.29Å
603	E	98.6	Very high	97.8	Very high	37 Å²	37	22.2 Å²	22.2	17%	0.173	11%	0.111	C	C	.	.	H	α-helix	trans	-68.1	-57.3	-172.7	-176.1	168	-122	0	0	112.2	I310 V350 V605 A607 V636 V637	I310-E603 HydrophobicContact CD1-CG 3.53Å; V350-E603 HydrophobicContact CG2-CG 4.28Å; E603-V605 PolarHBondContact O-N 2.68Å; E603-A607 VanDerWaalsContact O-CB 3.27Å; E603-A607 WeakPolarHBondContact O-CB 3.18Å; E603-A607 PolarHBondContact O-N 2.92Å; E603-V636 WeakPolarHBondContact OE1-CB 3.4Å; E603-V637 HydrophobicContact CG-CG2 4.23Å
604	A	98.6	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.2	-33.9	-179.4	0	0	0	0	0	112.7	P313 V350 E353 M357 F608	P313-A604 HydrophobicContact CB-CB 4.18Å; P313-A604 VanDerWaalsContact CB-O 3.3Å; P313-A604 WeakPolarHBondContact CB-O 3.42Å; P313-A604 HydrophobicContact CG-CB 4.32Å; V350-A604 HydrophobicContact CG2-CB 3.99Å; E353-A604 HydrophobicContact CB-CB 3.48Å; E353-A604 VanDerWaalsContact CB-CB 3.48Å; E353-A604 HydrophobicContact CG-CB 4.49Å; E353-A604 WeakPolarHBondContact OE2-CB 3.47Å; E353-A604 PolarHBondContact OE2-N 2.91Å; M357-A604 HydrophobicContact SD-CB 3.54Å; M357-A604 VanDerWaalsContact SD-CB 3.54Å; A604-F608 VanDerWaalsContact O-CB 3.31Å; A604-F608 WeakPolarHBondContact O-CB 3.42Å; A604-F608 PolarHBondContact O-N 3.24Å
605	V	98.7	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-47.7	176.7	179.7	0	0	0	0	111.3	M357 Y363 V599 S601 E603 A607 F608 E609	M357-V605 HydrophobicContact CE-CG2 3.98Å; M357-V605 HydrophobicContact SD-CG2 4.21Å; Y363-V605 HydrophobicContact CE1-CG1 4.09Å; V599-V605 HydrophobicContact CG2-CG2 4.24Å; S601-V605 VanDerWaalsContact O-CB 3.29Å; S601-V605 WeakPolarHBondContact O-CB 3.26Å; S601-V605 WeakPolarHBondContact O-CG2 3.31Å; E603-V605 PolarHBondContact O-N 2.68Å; V605-A607 VanDerWaalsContact C-N 3.3Å; V605-A607 PolarHBondContact O-N 2.86Å; V605-F608 WeakPolarHBondContact O-CB 3.46Å; V605-F608 PolarHBondContact O-N 2.9Å; V605-F608 VanDerWaalsContact O-N 3.15Å; V605-E609 HydrophobicContact CG1-CG 4.48Å; V605-E609 WeakPolarHBondContact O-CG 3.39Å; V605-E609 PolarHBondContact O-N 3.03Å
606	L	98.8	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-37.1	178.3	-175.9	62	0	0	0	111.7	E602 E609 Y610 W623 A634 V637 I638 I642 L655 M657	E602-L606 WeakPolarHBondContact O-CB 3.35Å; E602-L606 PolarHBondContact O-N 2.85Å; L606-E609 PolarHBondContact O-N 2.72Å; L606-Y610 WeakPolarHBondContact O-CB 3.46Å; L606-Y610 PolarHBondContact O-N 3.14Å; L606-W623 HydrophobicContact CB-CD2 4.38Å; L606-W623 HydrophobicContact CD1-CB 3.93Å; L606-W623 HydrophobicContact CD1-CD2 3.72Å; L606-W623 HydrophobicContact CD1-CE3 3.69Å; L606-W623 HydrophobicContact CD1-CG 3.84Å; L606-W623 HydrophobicContact CD1-CZ3 4.4Å; L606-W623 HydrophobicContact CD2-CE3 4.5Å; L606-W623 HydrophobicContact CD2-CZ3 4.42Å; L606-A634 HydrophobicContact CB-CB 3.86Å; L606-A634 HydrophobicContact CD2-CB 3.5Å; L606-A634 VanDerWaalsContact CD2-CB 3.5Å; L606-A634 HydrophobicContact CG-CB 4.28Å; L606-V637 HydrophobicContact CD2-CB 4.18Å; L606-V637 HydrophobicContact CD2-CG1 4.35Å; L606-V637 HydrophobicContact CG-CB 4.29Å; L606-V637 HydrophobicContact CG-CG1 4.02Å; L606-I638 HydrophobicContact CD2-CD1 4.38Å; L606-I638 HydrophobicContact CD2-CG1 3.88Å; L606-I642 HydrophobicContact CD1-CD1 4.02Å; L606-I642 HydrophobicContact CD2-CD1 3.81Å; L606-I642 HydrophobicContact CG-CD1 3.93Å; L606-L655 HydrophobicContact CD1-CD2 3.76Å; L606-M657 HydrophobicContact CD1-CE 4.11Å; L606-M657 HydrophobicContact CD1-CG 4.15Å; L606-M657 HydrophobicContact CD1-SD 4.27Å; L606-M657 HydrophobicContact CD2-CE 3.58Å; L606-M657 HydrophobicContact CD2-SD 4.31Å
607	A	98.8	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-39.8	173.7	0	0	0	0	0	112.3	I310 P313 V314 E603 V605 G611 V637	I310-A607 HydrophobicContact CD1-CB 4Å; P313-A607 HydrophobicContact CB-CB 3.9Å; P313-A607 HydrophobicContact CG-CB 3.53Å; V314-A607 WeakPolarHBondContact CA-O 3.16Å; V314-A607 HydrophobicContact CG2-CB 3.98Å; V314-A607 WeakPolarHBondContact CG2-O 3.33Å; E603-A607 VanDerWaalsContact O-CB 3.27Å; E603-A607 WeakPolarHBondContact O-CB 3.18Å; E603-A607 PolarHBondContact O-N 2.92Å; V605-A607 VanDerWaalsContact C-N 3.3Å; V605-A607 PolarHBondContact O-N 2.86Å; A607-G611 PolarHBondContact O-N 2.92Å; A607-V637 HydrophobicContact CB-CG1 4.26Å; A607-V637 HydrophobicContact CB-CG2 3.79Å
608	F	98.8	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-48.3	173.1	-176.7	-69.1	0	0	0	111.5	P313 I316 G317 R320 M357 Y363 A604 V605 Y610 G611 Y612	P313-F608 WeakPolarHBondContact O-CA 3.1Å; I316-F608 HydrophobicContact CB-CD2 4.43Å; I316-F608 HydrophobicContact CB-CE2 4.46Å; I316-F608 HydrophobicContact CG2-CD2 4.13Å; I316-F608 HydrophobicContact CG2-CE2 3.76Å; G317-F608 WeakPolarHBondContact CA-O 3.31Å; R320-F608 HydrophobicContact CB-CE1 4.15Å; R320-F608 HydrophobicContact CB-CE2 4.35Å; R320-F608 HydrophobicContact CB-CZ 3.51Å; R320-F608 HydrophobicContact CG-CE1 4.37Å; R320-F608 HydrophobicContact CG-CZ 3.83Å; M357-F608 HydrophobicContact CE-CB 3.76Å; M357-F608 HydrophobicContact CE-CD2 3.7Å; M357-F608 HydrophobicContact CE-CG 3.93Å; Y363-F608 AromaticContact CD1-CD1 3.87Å; Y363-F608 HydrophobicContact CD1-CD1 3.87Å; Y363-F608 AromaticContact CD1-CD2 3.86Å; Y363-F608 HydrophobicContact CD1-CD2 3.86Å; Y363-F608 AromaticContact CD1-CE1 3.88Å; Y363-F608 HydrophobicContact CD1-CE1 3.88Å; Y363-F608 AromaticContact CD1-CE2 3.79Å; Y363-F608 HydrophobicContact CD1-CE2 3.79Å; Y363-F608 AromaticContact CD1-CG 3.9Å; Y363-F608 HydrophobicContact CD1-CG 3.9Å; Y363-F608 AromaticContact CD1-CZ 3.82Å; Y363-F608 HydrophobicContact CD1-CZ 3.82Å; Y363-F608 HydrophobicContact CE1-CD1 4.26Å; Y363-F608 HydrophobicContact CE1-CE1 4.47Å; Y363-F608 HydrophobicContact CE1-CG 4.48Å; Y363-F608 HydrophobicContact CG-CE2 4.28Å; Y363-F608 HydrophobicContact CG-CZ 4.42Å; Y363-F608 WeakPolarHBondContact O-CE2 3.31Å; A604-F608 VanDerWaalsContact O-CB 3.31Å; A604-F608 WeakPolarHBondContact O-CB 3.42Å; A604-F608 PolarHBondContact O-N 3.24Å; V605-F608 WeakPolarHBondContact O-CB 3.46Å; V605-F608 PolarHBondContact O-N 2.9Å; V605-F608 VanDerWaalsContact O-N 3.15Å; F608-Y610 PolarHBondContact O-N 3.21Å; F608-G611 CarbonylContact O-C 3.56Å; F608-G611 WeakPolarHBondContact O-CA 3.45Å; F608-G611 PolarHBondContact O-N 3.16Å; F608-G611 VanDerWaalsContact O-N 3.1Å; F608-Y612 HydrophobicContact CE1-CD2 4.31Å; F608-Y612 PolarHBondContact O-N 3.25Å
609	E	98.7	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.9	-33.9	-179.2	-59.9	-49	146.7	0	0	112.4	R553 S555 V605 L606 Y612 A613 T621 W623 L655	R553-E609 WeakPolarHBondContact CD-OE2 3.37Å; R553-E609 IonicContact CZ-OE1 3.2Å; R553-E609 IonicContact CZ-OE2 3.69Å; R553-E609 IonicContact NE-OE1 3.83Å; R553-E609 PolarHBondContact NE-OE1 2.83Å; R553-E609 IonicContact NE-OE2 3.93Å; R553-E609 PolarHBondContact NE-OE2 2.96Å; R553-E609 IonicContact NH2-OE1 3.13Å; R553-E609 PolarHBondContact NH2-OE1 2.93Å; R553-E609 IonicContact NH2-OE2 2.72Å; S555-E609 WeakPolarHBondContact CB-OE1 3.49Å; S555-E609 VanDerWaalsContact OG-CD 3.31Å; S555-E609 PolarHBondContact OG-OE1 2.85Å; V605-E609 HydrophobicContact CG1-CG 4.48Å; V605-E609 WeakPolarHBondContact O-CG 3.39Å; V605-E609 PolarHBondContact O-N 3.03Å; L606-E609 PolarHBondContact O-N 2.72Å; E609-Y612 PolarHBondContact O-N 2.7Å; E609-A613 VanDerWaalsContact O-CB 3.23Å; E609-A613 WeakPolarHBondContact O-CB 3.33Å; E609-A613 PolarHBondContact O-N 2.83Å; E609-T621 HydrophobicContact CB-CG2 4.21Å; E609-T621 WeakPolarHBondContact OE2-CG2 3.24Å; E609-W623 HydrophobicContact CB-CB 4.37Å; E609-W623 HydrophobicContact CG-CB 4.29Å; E609-L655 HydrophobicContact CB-CD1 3.81Å
610	Y	98.7	Very high	97.5	Very high	6 Å²	6	19.6 Å²	19.6	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-48.4	166.6	170.2	-89.7	0	0	0	111	V314 L606 F608 Y612 A613 T614 F641 I642 C653	V314-Y610 HydrophobicContact CG1-CD1 3.87Å; V314-Y610 HydrophobicContact CG1-CE1 4Å; V314-Y610 HydrophobicContact CG2-CD1 4.12Å; L606-Y610 WeakPolarHBondContact O-CB 3.46Å; L606-Y610 PolarHBondContact O-N 3.14Å; F608-Y610 PolarHBondContact O-N 3.21Å; Y610-Y612 VanDerWaalsContact C-N 3.33Å; Y610-Y612 PolarHBondContact O-N 3.15Å; Y610-A613 PolarHBondContact O-N 2.94Å; Y610-T614 VanDerWaalsContact O-CB 3.24Å; Y610-T614 WeakPolarHBondContact O-CB 3.46Å; Y610-T614 PolarHBondContact O-N 2.89Å; Y610-T614 PolarHBondContact O-OG1 2.78Å; Y610-T614 VanDerWaalsContact O-OG1 3.06Å; Y610-F641 HydrophobicContact CD1-CB 4.06Å; Y610-F641 HydrophobicContact CD1-CD1 4.03Å; Y610-F641 HydrophobicContact CD1-CG 4.35Å; Y610-F641 HydrophobicContact CD2-CB 4.04Å; Y610-F641 HydrophobicContact CE1-CB 3.86Å; Y610-F641 AromaticContact CE1-CD1 3.52Å; Y610-F641 HydrophobicContact CE1-CD1 3.52Å; Y610-F641 HydrophobicContact CE1-CE1 4.43Å; Y610-F641 HydrophobicContact CE1-CG 4.1Å; Y610-F641 HydrophobicContact CE2-CB 3.81Å; Y610-F641 HydrophobicContact CG-CB 4.17Å; Y610-I642 HydrophobicContact CD2-CG1 3.93Å; Y610-C653 HydrophobicContact CD2-CB 4.16Å; Y610-C653 WeakPolarHBondContact CD2-SG 3.29Å; Y610-C653 HydrophobicContact CE2-CB 3.83Å
611	G	98.4	Very high	97.5	Very high	2 Å²	2	12.8 Å²	12.8	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-42	177.4	0	0	0	0	0	113.5	V314 S318 A607 F608 A615	V314-G611 WeakPolarHBondContact O-CA 3.04Å; S318-G611 WeakPolarHBondContact CA-O 3.41Å; A607-G611 PolarHBondContact O-N 2.92Å; F608-G611 CarbonylContact O-C 3.56Å; F608-G611 WeakPolarHBondContact O-CA 3.45Å; F608-G611 PolarHBondContact O-N 3.16Å; F608-G611 VanDerWaalsContact O-N 3.1Å; G611-A615 VanDerWaalsContact O-CB 3.31Å; G611-A615 WeakPolarHBondContact O-CB 3.46Å; G611-A615 PolarHBondContact O-N 2.98Å
612	Y	98.6	Very high	97.6	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-53.4	176.1	-168.3	-67.5	0	0	0	110.8	G317 R320 A321 D324 R553 F608 E609 Y610 T614 A615 E616 T619 T621	G317-Y612 WeakPolarHBondContact O-CA 3.45Å; R320-Y612 HydrophobicContact CB-CD2 4.26Å; R320-Y612 HydrophobicContact CG-CD2 4.28Å; R320-Y612 HydrophobicContact CG-CE2 4.15Å; A321-Y612 HydrophobicContact CB-CD1 3.99Å; A321-Y612 HydrophobicContact CB-CD2 3.75Å; A321-Y612 HydrophobicContact CB-CE1 4.1Å; A321-Y612 HydrophobicContact CB-CE2 3.93Å; A321-Y612 HydrophobicContact CB-CG 3.78Å; D324-Y612 HydrophobicContact CB-CE2 4.27Å; D324-Y612 WeakPolarHBondContact CB-OH 3.1Å; D324-Y612 PolarHBondContact OD2-OH 2.82Å; R553-Y612 HydrophobicContact CB-CE1 4.41Å; F608-Y612 HydrophobicContact CE1-CD2 4.31Å; F608-Y612 PolarHBondContact O-N 3.25Å; E609-Y612 PolarHBondContact O-N 2.7Å; Y610-Y612 VanDerWaalsContact C-N 3.33Å; Y610-Y612 PolarHBondContact O-N 3.15Å; Y612-T614 PolarHBondContact O-N 3.23Å; Y612-A615 PolarHBondContact O-N 3.09Å; Y612-E616 PolarHBondContact O-N 3.11Å; Y612-T619 HydrophobicContact CE1-CG2 3.69Å; Y612-T621 HydrophobicContact CD1-CG2 4.01Å; Y612-T621 WeakPolarHBondContact CD1-OG1 3.27Å; Y612-T621 HydrophobicContact CG-CG2 4.46Å
613	A	98.1	Very high	97.6	Very high	3 Å²	3	10.7 Å²	10.7	3%	0.025	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-26.7	-178.7	0	0	0	0	0	114	E609 Y610 T621 L655	E609-A613 VanDerWaalsContact O-CB 3.23Å; E609-A613 WeakPolarHBondContact O-CB 3.33Å; E609-A613 PolarHBondContact O-N 2.83Å; Y610-A613 PolarHBondContact O-N 2.94Å; A613-T621 HydrophobicContact CB-CG2 4.04Å; A613-L655 HydrophobicContact CB-CB 3.96Å
614	T	96.9	Very high	97.6	Very high	21 Å²	21	9.1 Å²	9.1	13%	0.129	5%	0.053	C	C	.	.	H	α-helix	trans	-85.9	-14.4	176.9	-66.9	0	0	0	0	112.8	Y610 Y612 R651 C653	Y610-T614 VanDerWaalsContact O-CB 3.24Å; Y610-T614 WeakPolarHBondContact O-CB 3.46Å; Y610-T614 PolarHBondContact O-N 2.89Å; Y610-T614 PolarHBondContact O-OG1 2.78Å; Y610-T614 VanDerWaalsContact O-OG1 3.06Å; Y612-T614 PolarHBondContact O-N 3.23Å; T614-R651 PolarHBondContact O-NH2 2.82Å; T614-C653 WeakPolarHBondContact OG1-CB 3.39Å; T614-C653 PolarHBondContact OG1-SG 3.45Å
615	A	96.6	Very high	97.6	Very high	20 Å²	20	9.2 Å²	9.2	17%	0.165	5%	0.054	C	C	.	.	H	α-helix	trans	-103.1	-38.1	-179.6	0	0	0	0	0	113.9	A321 G611 Y612 P617	A321-A615 HydrophobicContact CB-CB 3.85Å; G611-A615 VanDerWaalsContact O-CB 3.31Å; G611-A615 WeakPolarHBondContact O-CB 3.46Å; G611-A615 PolarHBondContact O-N 2.98Å; Y612-A615 PolarHBondContact O-N 3.09Å; A615-P617 WeakPolarHBondContact O-CD 3.49Å
616	E	94.6	Very high	97.5	Very high	11 Å²	11	12 Å²	12	5%	0.051	7%	0.067	C	C	.	.			trans	-118.5	86.1	172.5	-178.6	47.7	-93.8	0	0	110.8	A321 R325 Y612 R618 T619	A321-E616 HydrophobicContact CB-CB 3.88Å; R325-E616 WeakPolarHBondContact CD-OE2 3.33Å; Y612-E616 PolarHBondContact O-N 3.11Å; E616-R618 VanDerWaalsContact CD-NE 3.28Å; E616-R618 PolarHBondContact O-N 2.85Å; E616-R618 VanDerWaalsContact O-N 3.16Å; E616-R618 WeakPolarHBondContact OE1-CB 3.47Å; E616-R618 VanDerWaalsContact OE1-CG 3.27Å; E616-R618 WeakPolarHBondContact OE1-CG 3.45Å; E616-R618 IonicContact OE1-CZ 2.93Å; E616-R618 PolarHBondContact OE1-N 3.37Å; E616-R618 IonicContact OE1-NE 2.72Å; E616-R618 PolarHBondContact OE1-NE 3.04Å; E616-R618 IonicContact OE1-NH2 3.26Å; E616-R618 IonicContact OE2-CZ 3.58Å; E616-R618 IonicContact OE2-NE 3.55Å; E616-R618 PolarHBondContact OE2-NE 3.3Å; E616-R618 IonicContact OE2-NH2 3.52Å; E616-R618 PolarHBondContact OE2-NH2 3.11Å; E616-T619 WeakPolarHBondContact CG-OG1 3.28Å; E616-T619 PolarHBondContact O-N 3.45Å
617	P	93.4	Very high	97.5	Very high	65 Å²	65	12.9 Å²	12.9	42%	0.422	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-8.9	-175.9	30	-36.1	0	0	0	113.6	A615 R711	A615-P617 WeakPolarHBondContact O-CD 3.49Å; P617-R711 HydrophobicContact CB-CG 4.31Å; P617-R711 PolarHBondContact O-NE 2.85Å; P617-R711 PolarHBondContact O-NH2 3.46Å
618	R	93.8	Very high	97.4	Very high	35 Å²	35	13 Å²	13	13%	0.132	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-40.5	170.6	-64.1	176.2	-69.5	156	-4.5	111.6	D496 I550 E616 L620	D496-R618 VanDerWaalsContact OD1-CD 3.24Å; D496-R618 WeakPolarHBondContact OD1-CD 3.37Å; D496-R618 IonicContact OD1-CZ 3.76Å; D496-R618 IonicContact OD1-NE 3.85Å; D496-R618 IonicContact OD1-NH1 2.74Å; D496-R618 PolarHBondContact OD1-NH1 3.45Å; D496-R618 WeakPolarHBondContact OD2-CD 3.48Å; D496-R618 IonicContact OD2-NE 3.8Å; D496-R618 IonicContact OD2-NH1 3.97Å; D496-R618 PolarHBondContact OD2-NH1 2.82Å; I550-R618 WeakPolarHBondContact CG2-O 3.42Å; E616-R618 VanDerWaalsContact CD-NE 3.28Å; E616-R618 PolarHBondContact O-N 2.85Å; E616-R618 VanDerWaalsContact O-N 3.16Å; E616-R618 WeakPolarHBondContact OE1-CB 3.47Å; E616-R618 VanDerWaalsContact OE1-CG 3.27Å; E616-R618 WeakPolarHBondContact OE1-CG 3.45Å; E616-R618 IonicContact OE1-CZ 2.93Å; E616-R618 PolarHBondContact OE1-N 3.37Å; E616-R618 IonicContact OE1-NE 2.72Å; E616-R618 PolarHBondContact OE1-NE 3.04Å; E616-R618 IonicContact OE1-NH2 3.26Å; E616-R618 IonicContact OE2-CZ 3.58Å; E616-R618 IonicContact OE2-NE 3.55Å; E616-R618 PolarHBondContact OE2-NE 3.3Å; E616-R618 IonicContact OE2-NH2 3.52Å; E616-R618 PolarHBondContact OE2-NH2 3.11Å; R618-L620 PolarHBondContact O-N 2.94Å
619	T	96.3	Very high	97.3	Very high	9 Å²	9	13.4 Å²	13.4	6%	0.055	7%	0.074	C	C	.	.	S	Bend	trans	-68.7	123.2	-175.4	-57.9	0	0	0	0	111.1	P551 R553 Y612 E616 T621	P551-T619 HydrophobicContact CB-CG2 4.14Å; P551-T619 CarbonylContact O-C 3.57Å; P551-T619 VanDerWaalsContact O-CA 3.24Å; P551-T619 WeakPolarHBondContact O-CA 3.42Å; P551-T619 WeakPolarHBondContact O-CG2 3.45Å; R553-T619 HydrophobicContact CB-CG2 3.73Å; Y612-T619 HydrophobicContact CE1-CG2 3.69Å; E616-T619 WeakPolarHBondContact CG-OG1 3.28Å; E616-T619 PolarHBondContact O-N 3.45Å; T619-T621 PolarHBondContact O-N 2.96Å; T619-T621 PolarHBondContact O-OG1 3.38Å
620	L	97.8	Very high	97.3	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	102.5	163.2	-177.6	60.9	0	0	0	107.7	L545 P551 V552 R553 R618 I622 V656 L702 Q705 A706	L545-L620 HydrophobicContact CD1-CB 4.44Å; L545-L620 HydrophobicContact CD1-CD2 3.34Å; L545-L620 HydrophobicContact CD1-CG 4.46Å; P551-L620 PolarHBondContact O-N 3.4Å; V552-L620 WeakPolarHBondContact CA-O 3.4Å; V552-L620 HydrophobicContact CG2-CB 4.3Å; R553-L620 PolarHBondContact N-O 3.33Å; R618-L620 PolarHBondContact O-N 2.94Å; L620-I622 HydrophobicContact CD2-CD1 3.96Å; L620-I622 HydrophobicContact CD2-CG1 4.4Å; L620-I622 HydrophobicContact CG-CD1 4.05Å; L620-I622 HydrophobicContact CG-CG1 3.94Å; L620-V656 HydrophobicContact CD1-CG2 3.73Å; L620-L702 HydrophobicContact CD2-CB 4.35Å; L620-L702 HydrophobicContact CD2-CD2 4.28Å; L620-Q705 HydrophobicContact CD1-CB 4.15Å; L620-Q705 HydrophobicContact CD1-CG 3.85Å; L620-A706 HydrophobicContact CB-CB 4.08Å; L620-A706 HydrophobicContact CD1-CB 4.29Å; L620-A706 HydrophobicContact CD2-CB 4.39Å; L620-A706 HydrophobicContact CG-CB 4.47Å
621	T	98.5	Very high	97.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.6	-177.4	-50.7	0	0	0	0	108.2	R553 E609 Y612 A613 T619 L655 V656	R553-T621 WeakPolarHBondContact O-CA 3.42Å; E609-T621 HydrophobicContact CB-CG2 4.21Å; E609-T621 WeakPolarHBondContact OE2-CG2 3.24Å; Y612-T621 HydrophobicContact CD1-CG2 4.01Å; Y612-T621 WeakPolarHBondContact CD1-OG1 3.27Å; Y612-T621 HydrophobicContact CG-CG2 4.46Å; A613-T621 HydrophobicContact CB-CG2 4.04Å; T619-T621 PolarHBondContact O-N 2.96Å; T619-T621 PolarHBondContact O-OG1 3.38Å; T621-L655 HydrophobicContact CG2-CD1 4.08Å; T621-V656 PolarHBondContact O-N 3.39Å
622	I	98.7	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.8	-171.2	-50	178.7	0	0	0	108.3	Y542 V552 R553 L554 S555 L620 V656 L658 L702	Y542-I622 HydrophobicContact CD1-CD1 4.3Å; Y542-I622 HydrophobicContact CE1-CD1 3.33Å; V552-I622 HydrophobicContact CG1-CD1 4.47Å; R553-I622 PolarHBondContact O-N 2.65Å; L554-I622 HydrophobicContact CD1-CB 3.85Å; L554-I622 HydrophobicContact CD1-CG2 3.63Å; S555-I622 PolarHBondContact N-O 3.13Å; L620-I622 HydrophobicContact CD2-CD1 3.96Å; L620-I622 HydrophobicContact CD2-CG1 4.4Å; L620-I622 HydrophobicContact CG-CD1 4.05Å; L620-I622 HydrophobicContact CG-CG1 3.94Å; I622-V656 HydrophobicContact CB-CB 4.32Å; I622-V656 HydrophobicContact CG1-CB 4.09Å; I622-V656 HydrophobicContact CG1-CG2 4.27Å; I622-V656 HydrophobicContact CG2-CB 4.09Å; I622-V656 HydrophobicContact CG2-CG1 4.22Å; I622-L658 HydrophobicContact CG2-CD1 3.74Å; I622-L658 HydrophobicContact CG2-CG 3.72Å; I622-L702 HydrophobicContact CD1-CD2 4.05Å
623	W	98.8	Very high	97.2	Very high	5 Å²	5	21 Å²	21	2%	0.019	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.7	163.6	-175.5	69.7	0	0	0	110	S555 E602 L606 E609 A625 A631 L655 V656 M657 L658 L659	S555-W623 VanDerWaalsContact O-CA 3.27Å; S555-W623 WeakPolarHBondContact O-CA 3.5Å; E602-W623 HydrophobicContact CB-CH2 4.31Å; E602-W623 HydrophobicContact CB-CZ2 4Å; E602-W623 HydrophobicContact CG-CH2 4.47Å; E602-W623 HydrophobicContact CG-CZ2 4.18Å; L606-W623 HydrophobicContact CB-CD2 4.38Å; L606-W623 HydrophobicContact CD1-CB 3.93Å; L606-W623 HydrophobicContact CD1-CD2 3.72Å; L606-W623 HydrophobicContact CD1-CE3 3.69Å; L606-W623 HydrophobicContact CD1-CG 3.84Å; L606-W623 HydrophobicContact CD1-CZ3 4.4Å; L606-W623 HydrophobicContact CD2-CE3 4.5Å; L606-W623 HydrophobicContact CD2-CZ3 4.42Å; E609-W623 HydrophobicContact CB-CB 4.37Å; E609-W623 HydrophobicContact CG-CB 4.29Å; W623-A625 HydrophobicContact CH2-CB 3.61Å; W623-A625 HydrophobicContact CZ2-CB 4.23Å; W623-A625 HydrophobicContact CZ3-CB 3.79Å; W623-A631 HydrophobicContact CH2-CB 3.86Å; W623-A631 HydrophobicContact CZ3-CB 3.8Å; W623-L655 HydrophobicContact CB-CD1 4.35Å; W623-V656 PolarHBondContact N-O 2.87Å; W623-M657 HydrophobicContact CE3-CE 3.99Å; W623-M657 HydrophobicContact CE3-CG 4.4Å; W623-M657 HydrophobicContact CZ3-CE 3.85Å; W623-M657 CarbonylContact O-C 3.43Å; W623-M657 WeakPolarHBondContact O-CA 3.37Å; W623-L658 PolarHBondContact O-N 2.99Å; W623-L659 HydrophobicContact CE3-CD2 4.33Å; W623-L659 HydrophobicContact CZ3-CD2 3.75Å
624	E	98.7	Very high	97.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.7	173	176.8	178.8	-121.2	0	0	110.2	L554 S555 G556 S559 H566 R567 L658	L554-E624 HydrophobicContact CD1-CB 4.41Å; S555-E624 PolarHBondContact O-N 3.38Å; G556-E624 WeakPolarHBondContact CA-O 3.43Å; S559-E624 VanDerWaalsContact CB-OE2 3.31Å; S559-E624 WeakPolarHBondContact CB-OE2 3.46Å; S559-E624 PolarHBondContact OG-OE2 3.09Å; H566-E624 IonicContact CE1-OE1 3.45Å; H566-E624 PolarHBondContact CE1-OE1 3.29Å; R567-E624 IonicContact CZ-OE1 2.72Å; R567-E624 IonicContact CZ-OE2 3.47Å; R567-E624 IonicContact NH1-OE1 2.75Å; R567-E624 PolarHBondContact NH1-OE1 3.38Å; R567-E624 IonicContact NH1-OE2 2.67Å; R567-E624 PolarHBondContact NH1-OE2 3.43Å; R567-E624 IonicContact NH2-OE1 3.74Å; R567-E624 PolarHBondContact NH2-OE1 3.32Å; R567-E624 IonicContact NH2-OE2 3.17Å; R567-E624 PolarHBondContact NH2-OE2 2.87Å; E624-L658 WeakPolarHBondContact CA-O 3.39Å; E624-L658 HydrophobicContact CB-CB 4.08Å; E624-L658 HydrophobicContact CG-CB 4.12Å
625	A	98.3	Very high	97.3	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	12%	0.122	C	C	.	.			trans	-80.6	144.9	170.8	0	0	0	0	0	110.2	W623 F627 L658 L659 P660	W623-A625 HydrophobicContact CH2-CB 3.61Å; W623-A625 HydrophobicContact CZ2-CB 4.23Å; W623-A625 HydrophobicContact CZ3-CB 3.79Å; A625-F627 VanDerWaalsContact C-N 3.3Å; A625-F627 VanDerWaalsContact CB-O 3.3Å; A625-F627 WeakPolarHBondContact CB-O 3.37Å; A625-F627 PolarHBondContact O-N 3.36Å; A625-L658 PolarHBondContact N-O 2.79Å; A625-L659 HydrophobicContact CB-CD2 3.9Å; A625-P660 WeakPolarHBondContact O-CD 3.33Å; A625-P660 VanDerWaalsContact O-CG 3.31Å; A625-P660 WeakPolarHBondContact O-CG 3.23Å
626	Q	97	Very high	97.4	Very high	58 Å²	58	22.1 Å²	22.1	27%	0.271	12%	0.124	S	C	.	.	S	Bend	trans	-58.3	-45.9	177.4	-160.1	-169.9	113.7	0	0	111.3	E557 T563 F630	E557-Q626 HydrophobicContact CB-CB 4.11Å; E557-Q626 HydrophobicContact CB-CG 4.42Å; E557-Q626 PolarHBondContact OE2-NE2 3.44Å; T563-Q626 HydrophobicContact CG2-CG 3.69Å; T563-Q626 PolarHBondContact OG1-O 2.69Å; Q626-F630 HydrophobicContact CB-CD2 4.28Å; Q626-F630 HydrophobicContact CB-CE2 4.44Å
627	F	97.4	Very high	97.6	Very high	18 Å²	18	21.6 Å²	21.6	8%	0.079	12%	0.121	C	C	.	.	S	Bend	trans	-132	146.8	161.6	-75	-101.5	0	0	0	108.1	T563 F564 A625 D629 F630 H670 K720	T563-F627 HydrophobicContact CG2-CE2 4.29Å; F564-F627 AromaticContact CE1-CE1 3.8Å; F564-F627 HydrophobicContact CE1-CE1 3.8Å; F564-F627 HydrophobicContact CE1-CE2 4.28Å; F564-F627 AromaticContact CE1-CZ 3.67Å; F564-F627 HydrophobicContact CE1-CZ 3.67Å; F564-F627 HydrophobicContact CZ-CD1 4.27Å; F564-F627 HydrophobicContact CZ-CE1 4.01Å; F564-F627 HydrophobicContact CZ-CE2 4.39Å; F564-F627 HydrophobicContact CZ-CZ 4.08Å; A625-F627 VanDerWaalsContact C-N 3.3Å; A625-F627 VanDerWaalsContact CB-O 3.3Å; A625-F627 WeakPolarHBondContact CB-O 3.37Å; A625-F627 PolarHBondContact O-N 3.36Å; F627-D629 PolarHBondContact O-N 2.64Å; F627-F630 HydrophobicContact CB-CD2 4.11Å; F627-F630 HydrophobicContact CB-CE2 3.91Å; F627-F630 HydrophobicContact CB-CZ 4.23Å; F627-F630 AromaticContact CD2-CE2 3.93Å; F627-F630 HydrophobicContact CD2-CE2 3.93Å; F627-F630 HydrophobicContact CD2-CZ 4.35Å; F627-F630 HydrophobicContact CG-CE2 4.33Å; F627-F630 PolarHBondContact O-N 3.19Å; F627-H670 HydrophobicContact CD1-CB 3.84Å; F627-H670 AromaticContact CD1-CD2 3.94Å; F627-H670 AromaticContact CD2-CD2 3.79Å; F627-H670 HydrophobicContact CE1-CB 3.78Å; F627-H670 AromaticContact CE1-CD2 3.86Å; F627-H670 AromaticContact CE2-CD2 3.72Å; F627-H670 AromaticContact CG-CD2 3.89Å; F627-H670 HydrophobicContact CZ-CB 4.44Å; F627-H670 AromaticContact CZ-CD2 3.75Å; F627-K720 HydrophobicContact CD1-CD 4.05Å; F627-K720 HydrophobicContact CE1-CD 3.93Å
628	G	97.3	Very high	97.9	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.6	-175.4	0	0	0	0	0	113.2	F630 A631 P660	G628-F630 VanDerWaalsContact C-N 3.25Å; G628-F630 PolarHBondContact O-N 2.97Å; G628-A631 WeakPolarHBondContact O-CB 3.31Å; G628-A631 PolarHBondContact O-N 2.88Å; G628-P660 PolarHBondContact N-O 3Å
629	D	97.9	Very high	98.1	Very high	11 Å²	11	19.4 Å²	19.4	6%	0.059	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37.4	175.7	-51.5	-119.1	0	0	0	112.9	F627 N632 P668 E669 H670 S671 S672	F627-D629 PolarHBondContact O-N 2.64Å; D629-N632 PolarHBondContact O-OD1 2.89Å; D629-N632 VanDerWaalsContact O-OD1 3.06Å; D629-P668 VanDerWaalsContact OD1-O 3.09Å; D629-E669 VanDerWaalsContact CB-O 3.27Å; D629-E669 WeakPolarHBondContact CB-O 3.46Å; D629-E669 VanDerWaalsContact CG-O 3.3Å; D629-E669 WeakPolarHBondContact OD1-CA 3.28Å; D629-H670 PolarHBondContact OD1-N 2.81Å; D629-S671 PolarHBondContact OD1-N 2.94Å; D629-S671 PolarHBondContact OD2-N 3.17Å; D629-S672 WeakPolarHBondContact CA-O 3.48Å; D629-S672 VanDerWaalsContact CG-N 3.32Å; D629-S672 PolarHBondContact OD1-N 2.76Å; D629-S672 PolarHBondContact OD2-N 2.95Å
630	F	98	Very high	98.2	Very high	50 Å²	50	21.6 Å²	21.6	22%	0.219	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-80.1	-11.8	-174.9	-51.8	-28.7	0	0	0	114	Q626 F627 G628 N632 G633 E669 H670	Q626-F630 HydrophobicContact CB-CD2 4.28Å; Q626-F630 HydrophobicContact CB-CE2 4.44Å; F627-F630 HydrophobicContact CB-CD2 4.11Å; F627-F630 HydrophobicContact CB-CE2 3.91Å; F627-F630 HydrophobicContact CB-CZ 4.23Å; F627-F630 AromaticContact CD2-CE2 3.93Å; F627-F630 HydrophobicContact CD2-CE2 3.93Å; F627-F630 HydrophobicContact CD2-CZ 4.35Å; F627-F630 HydrophobicContact CG-CE2 4.33Å; F627-F630 PolarHBondContact O-N 3.19Å; G628-F630 VanDerWaalsContact C-N 3.25Å; G628-F630 PolarHBondContact O-N 2.97Å; F630-N632 VanDerWaalsContact C-OD1 3.26Å; F630-N632 WeakPolarHBondContact CA-OD1 3.45Å; F630-N632 PolarHBondContact O-N 3.36Å; F630-N632 PolarHBondContact O-OD1 3.34Å; F630-N632 VanDerWaalsContact O-OD1 3.06Å; F630-G633 PolarHBondContact O-N 3.01Å; F630-E669 HydrophobicContact CE1-CB 4.31Å; F630-E669 VanDerWaalsContact CE1-O 3.28Å; F630-E669 WeakPolarHBondContact CE1-O 3.48Å; F630-H670 AromaticContact CZ-NE2 3.89Å
631	A	98.2	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.4	-8.3	174.4	0	0	0	0	0	113.4	W623 G628 G633 A634 I638 L659	W623-A631 HydrophobicContact CH2-CB 3.86Å; W623-A631 HydrophobicContact CZ3-CB 3.8Å; G628-A631 WeakPolarHBondContact O-CB 3.31Å; G628-A631 PolarHBondContact O-N 2.88Å; A631-G633 PolarHBondContact O-N 3.48Å; A631-A634 PolarHBondContact O-N 2.97Å; A631-I638 WeakPolarHBondContact O-CD1 3.35Å; A631-L659 HydrophobicContact CB-CD2 3.69Å
632	N	97.6	Very high	98.2	Very high	85 Å²	85	21.8 Å²	21.8	46%	0.455	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-64	-21.9	168.7	70.1	-29.2	0	0	0	113.9	D629 F630 A634 Q635	D629-N632 PolarHBondContact O-OD1 2.89Å; D629-N632 VanDerWaalsContact O-OD1 3.06Å; F630-N632 VanDerWaalsContact C-OD1 3.26Å; F630-N632 WeakPolarHBondContact CA-OD1 3.45Å; F630-N632 PolarHBondContact O-N 3.36Å; F630-N632 PolarHBondContact O-OD1 3.34Å; F630-N632 VanDerWaalsContact O-OD1 3.06Å; N632-A634 VanDerWaalsContact C-N 3.28Å; N632-A634 PolarHBondContact O-N 3.06Å; N632-Q635 PolarHBondContact O-N 2.81Å
633	G	97.8	Very high	98.2	Very high	37 Å²	37	22.2 Å²	22.2	38%	0.381	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.5	171.9	0	0	0	0	0	111.8	F630 A631 Q635	F630-G633 PolarHBondContact O-N 3.01Å; A631-G633 PolarHBondContact O-N 3.48Å; G633-Q635 VanDerWaalsContact C-N 3.3Å; G633-Q635 PolarHBondContact O-N 2.59Å
634	A	98.4	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	23.5	-177.7	0	0	0	0	0	114.6	E602 L606 A631 N632 V636 V637 I638	E602-A634 HydrophobicContact CB-CB 4.24Å; E602-A634 WeakPolarHBondContact O-CB 3.29Å; L606-A634 HydrophobicContact CB-CB 3.86Å; L606-A634 HydrophobicContact CD2-CB 3.5Å; L606-A634 VanDerWaalsContact CD2-CB 3.5Å; L606-A634 HydrophobicContact CG-CB 4.28Å; A631-A634 PolarHBondContact O-N 2.97Å; N632-A634 VanDerWaalsContact C-N 3.28Å; N632-A634 PolarHBondContact O-N 3.06Å; A634-V636 VanDerWaalsContact C-N 3.28Å; A634-V636 PolarHBondContact O-N 2.82Å; A634-V637 HydrophobicContact CB-CG2 4.35Å; A634-V637 WeakPolarHBondContact O-CB 3.3Å; A634-V637 PolarHBondContact O-N 2.69Å; A634-I638 PolarHBondContact O-N 3.39Å
635	Q	98.6	Very high	98.1	Very high	33 Å²	33	22.9 Å²	22.9	15%	0.154	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-34.8	-169.6	-163.9	64.2	58.9	0	0	113.5	N632 G633 V637 I638 D639	N632-Q635 PolarHBondContact O-N 2.81Å; G633-Q635 VanDerWaalsContact C-N 3.3Å; G633-Q635 PolarHBondContact O-N 2.59Å; Q635-V637 VanDerWaalsContact C-N 3.26Å; Q635-V637 PolarHBondContact O-N 2.88Å; Q635-I638 PolarHBondContact O-N 2.67Å; Q635-D639 PolarHBondContact NE2-OD1 3.33Å; Q635-D639 WeakPolarHBondContact O-CB 3.49Å; Q635-D639 VanDerWaalsContact O-CG 3.31Å; Q635-D639 PolarHBondContact O-N 3.02Å
636	V	98.5	Very high	98	Very high	34 Å²	34	24.8 Å²	24.8	21%	0.206	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-37.2	176.2	-177.5	0	0	0	0	111.1	H307 I310 E603 A634 Q640	H307-V636 HydrophobicContact CB-CG1 3.79Å; I310-V636 HydrophobicContact CG1-CG1 4.16Å; I310-V636 HydrophobicContact CG2-CG1 4.3Å; E603-V636 WeakPolarHBondContact OE1-CB 3.4Å; A634-V636 VanDerWaalsContact C-N 3.28Å; A634-V636 PolarHBondContact O-N 2.82Å; V636-Q640 HydrophobicContact CG1-CG 4.44Å; V636-Q640 VanDerWaalsContact O-CB 3.22Å; V636-Q640 WeakPolarHBondContact O-CB 3.5Å; V636-Q640 PolarHBondContact O-N 3.43Å
637	V	98.7	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-44.8	176.8	-165.6	0	0	0	0	110.7	I310 E603 L606 A607 A634 Q635 F641 I642	I310-V637 HydrophobicContact CD1-CG2 3.89Å; I310-V637 HydrophobicContact CG1-CG2 4.36Å; E603-V637 HydrophobicContact CG-CG2 4.23Å; L606-V637 HydrophobicContact CD2-CB 4.18Å; L606-V637 HydrophobicContact CD2-CG1 4.35Å; L606-V637 HydrophobicContact CG-CB 4.29Å; L606-V637 HydrophobicContact CG-CG1 4.02Å; A607-V637 HydrophobicContact CB-CG1 4.26Å; A607-V637 HydrophobicContact CB-CG2 3.79Å; A634-V637 HydrophobicContact CB-CG2 4.35Å; A634-V637 WeakPolarHBondContact O-CB 3.3Å; A634-V637 PolarHBondContact O-N 2.69Å; Q635-V637 VanDerWaalsContact C-N 3.26Å; Q635-V637 PolarHBondContact O-N 2.88Å; V637-F641 HydrophobicContact CG1-CB 4.45Å; V637-F641 WeakPolarHBondContact O-CB 3.46Å; V637-F641 PolarHBondContact O-N 3.28Å; V637-F641 VanDerWaalsContact O-N 3.09Å; V637-I642 HydrophobicContact CG1-CD1 3.98Å; V637-I642 HydrophobicContact CG1-CG1 4.19Å; V637-I642 PolarHBondContact O-N 2.91Å
638	I	98.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-61.1	-49.7	179.6	-64.2	165	0	0	0	110.8	L606 A631 A634 Q635 I642 S643 M657 Y678 L681	L606-I638 HydrophobicContact CD2-CD1 4.38Å; L606-I638 HydrophobicContact CD2-CG1 3.88Å; A631-I638 WeakPolarHBondContact O-CD1 3.35Å; A634-I638 PolarHBondContact O-N 3.39Å; Q635-I638 PolarHBondContact O-N 2.67Å; I638-I642 HydrophobicContact CG1-CD1 4.41Å; I638-S643 WeakPolarHBondContact O-CB 3.43Å; I638-S643 PolarHBondContact O-N 2.85Å; I638-S643 PolarHBondContact O-OG 2.74Å; I638-M657 HydrophobicContact CD1-CE 4.07Å; I638-M657 HydrophobicContact CG1-CE 4.05Å; I638-Y678 HydrophobicContact CD1-CE1 4.03Å; I638-Y678 WeakPolarHBondContact CD1-OH 3.45Å; I638-Y678 HydrophobicContact CG1-CE1 4.35Å; I638-Y678 HydrophobicContact CG2-CD1 4.2Å; I638-Y678 HydrophobicContact CG2-CE1 3.74Å; I638-L681 HydrophobicContact CG2-CD1 3.72Å
639	D	98.6	Very high	97.7	Very high	53 Å²	53	24.3 Å²	24.3	28%	0.283	13%	0.133	S	C	.	.	I	π-helix	trans	-75.2	-42	-174.8	-66	-1.3	0	0	0	112.5	Q635 S643 S644 L681	Q635-D639 PolarHBondContact NE2-OD1 3.33Å; Q635-D639 WeakPolarHBondContact O-CB 3.49Å; Q635-D639 VanDerWaalsContact O-CG 3.31Å; Q635-D639 PolarHBondContact O-N 3.02Å; D639-S643 PolarHBondContact O-OG 3.48Å; D639-S643 VanDerWaalsContact O-OG 3.13Å; D639-S644 WeakPolarHBondContact O-CB 3.44Å; D639-S644 PolarHBondContact O-OG 3Å; D639-L681 WeakPolarHBondContact OD1-CD1 3.4Å
640	Q	98.3	Very high	97.4	Very high	56 Å²	56	25.4 Å²	25.4	26%	0.262	15%	0.147	S	C	.	.	I	π-helix	trans	-103.1	-13.1	-166.1	-62.9	-62.4	-26.9	0	0	115.3	P305 V636 S644 K648 W649	P305-Q640 HydrophobicContact CB-CB 3.77Å; P305-Q640 HydrophobicContact CB-CG 4.16Å; P305-Q640 HydrophobicContact CG-CB 3.82Å; P305-Q640 HydrophobicContact CG-CG 4.45Å; V636-Q640 HydrophobicContact CG1-CG 4.44Å; V636-Q640 VanDerWaalsContact O-CB 3.22Å; V636-Q640 WeakPolarHBondContact O-CB 3.5Å; V636-Q640 PolarHBondContact O-N 3.43Å; Q640-S644 WeakPolarHBondContact CA-OG 3.47Å; Q640-S644 PolarHBondContact O-OG 3.12Å; Q640-K648 PolarHBondContact O-NZ 3.01Å; Q640-W649 WeakPolarHBondContact O-CH2 3.36Å
641	F	98.6	Very high	97.1	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.154	C	C	.	.	I	π-helix	trans	-124.5	-54.8	179	-65	-96.9	0	0	0	112.1	P305 I310 V314 Y610 V637 G645 W649	P305-F641 HydrophobicContact CG-CD2 4.44Å; P305-F641 HydrophobicContact CG-CE2 3.7Å; P305-F641 HydrophobicContact CG-CZ 3.87Å; I310-F641 HydrophobicContact CB-CE2 4.49Å; I310-F641 HydrophobicContact CG1-CE2 3.91Å; I310-F641 HydrophobicContact CG2-CE2 3.82Å; I310-F641 HydrophobicContact CG2-CZ 4.04Å; V314-F641 HydrophobicContact CG2-CD1 4.34Å; V314-F641 HydrophobicContact CG2-CE1 3.91Å; V314-F641 HydrophobicContact CG2-CZ 4.1Å; Y610-F641 HydrophobicContact CD1-CB 4.06Å; Y610-F641 HydrophobicContact CD1-CD1 4.03Å; Y610-F641 HydrophobicContact CD1-CG 4.35Å; Y610-F641 HydrophobicContact CD2-CB 4.04Å; Y610-F641 HydrophobicContact CE1-CB 3.86Å; Y610-F641 AromaticContact CE1-CD1 3.52Å; Y610-F641 HydrophobicContact CE1-CD1 3.52Å; Y610-F641 HydrophobicContact CE1-CE1 4.43Å; Y610-F641 HydrophobicContact CE1-CG 4.1Å; Y610-F641 HydrophobicContact CE2-CB 3.81Å; Y610-F641 HydrophobicContact CG-CB 4.17Å; V637-F641 HydrophobicContact CG1-CB 4.45Å; V637-F641 WeakPolarHBondContact O-CB 3.46Å; V637-F641 PolarHBondContact O-N 3.28Å; V637-F641 VanDerWaalsContact O-N 3.09Å; F641-G645 WeakPolarHBondContact O-CA 3.31Å; F641-G645 PolarHBondContact O-N 3.04Å; F641-W649 AromaticContact CD1-CH2 3.77Å; F641-W649 HydrophobicContact CD1-CH2 3.77Å; F641-W649 AromaticContact CD1-CZ3 3.68Å; F641-W649 HydrophobicContact CD1-CZ3 3.68Å; F641-W649 HydrophobicContact CE1-CH2 4.03Å; F641-W649 HydrophobicContact CE1-CZ3 4.26Å; F641-W649 HydrophobicContact CG-CH2 4.28Å; F641-W649 HydrophobicContact CG-CZ3 4.29Å
642	I	98.3	Very high	97	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.036	17%	0.17	C	C	.	.	I	π-helix	trans	-70.4	-57	-172.2	-62.8	174.4	0	0	0	111	L606 Y610 V637 I638 S644 L655 M657 M687 P713	L606-I642 HydrophobicContact CD1-CD1 4.02Å; L606-I642 HydrophobicContact CD2-CD1 3.81Å; L606-I642 HydrophobicContact CG-CD1 3.93Å; Y610-I642 HydrophobicContact CD2-CG1 3.93Å; V637-I642 HydrophobicContact CG1-CD1 3.98Å; V637-I642 HydrophobicContact CG1-CG1 4.19Å; V637-I642 PolarHBondContact O-N 2.91Å; I638-I642 HydrophobicContact CG1-CD1 4.41Å; I642-S644 PolarHBondContact O-N 3.43Å; I642-L655 HydrophobicContact CD1-CD2 3.95Å; I642-L655 HydrophobicContact CG1-CD2 4.43Å; I642-M657 HydrophobicContact CD1-SD 3.8Å; I642-M687 HydrophobicContact CG2-SD 4.18Å; I642-P713 HydrophobicContact CG2-CB 3.55Å; I642-P713 HydrophobicContact CG2-CG 3.56Å
643	S	98.3	Very high	97	Very high	10 Å²	10	27 Å²	27	7%	0.07	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.1	-176.9	59.1	0	0	0	0	114.3	I638 D639 N686	I638-S643 WeakPolarHBondContact O-CB 3.43Å; I638-S643 PolarHBondContact O-N 2.85Å; I638-S643 PolarHBondContact O-OG 2.74Å; D639-S643 PolarHBondContact O-OG 3.48Å; D639-S643 VanDerWaalsContact O-OG 3.13Å; S643-N686 PolarHBondContact O-ND2 3.49Å
644	S	98.3	Very high	96.9	Very high	22 Å²	22	25.7 Å²	25.7	15%	0.154	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-9.3	-166.2	61	0	0	0	0	115.6	D639 Q640 I642 E646 Q647 K648	D639-S644 WeakPolarHBondContact O-CB 3.44Å; D639-S644 PolarHBondContact O-OG 3Å; Q640-S644 WeakPolarHBondContact CA-OG 3.47Å; Q640-S644 PolarHBondContact O-OG 3.12Å; I642-S644 PolarHBondContact O-N 3.43Å; S644-E646 PolarHBondContact O-N 2.65Å; S644-Q647 PolarHBondContact O-N 3.27Å; S644-K648 WeakPolarHBondContact O-CB 3.5Å; S644-K648 WeakPolarHBondContact O-CG 3.49Å; S644-K648 PolarHBondContact O-N 2.98Å; S644-K648 WeakPolarHBondContact OG-CD 3.31Å
645	G	97.1	Very high	96.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-30.8	-175.6	0	0	0	0	0	115.3	F641 W649 G650 R651	F641-G645 WeakPolarHBondContact O-CA 3.31Å; F641-G645 PolarHBondContact O-N 3.04Å; G645-W649 WeakPolarHBondContact O-CB 3.46Å; G645-W649 PolarHBondContact O-N 2.73Å; G645-W649 VanDerWaalsContact O-N 3.08Å; G645-G650 PolarHBondContact O-N 3.04Å; G645-R651 CarbonylContact C-O 3.58Å; G645-R651 PolarHBondContact O-N 2.7Å; G645-R651 VanDerWaalsContact O-N 3.08Å
646	E	96.4	Very high	97	Very high	43 Å²	43	24.1 Å²	24.1	20%	0.201	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-48.9	174.1	-179.6	172.7	176.1	0	0	111.3	S644 G650 R651 M652 R712	S644-E646 PolarHBondContact O-N 2.65Å; E646-G650 WeakPolarHBondContact O-CA 3.07Å; E646-G650 PolarHBondContact O-N 3.3Å; E646-R651 PolarHBondContact N-O 3.49Å; E646-M652 VanDerWaalsContact CD-SD 3.59Å; E646-M652 HydrophobicContact CG-CE 4.43Å; E646-M652 HydrophobicContact CG-SD 3.76Å; E646-R712 VanDerWaalsContact CD-NE 3.3Å; E646-R712 IonicContact OE1-CZ 2.61Å; E646-R712 VanDerWaalsContact OE1-CZ 3.29Å; E646-R712 IonicContact OE1-NE 3.99Å; E646-R712 PolarHBondContact OE1-NE 2.85Å; E646-R712 VanDerWaalsContact OE1-NE 3.08Å; E646-R712 IonicContact OE1-NH2 3.49Å; E646-R712 PolarHBondContact OE1-NH2 3.45Å; E646-R712 WeakPolarHBondContact OE2-CD 3.38Å; E646-R712 WeakPolarHBondContact OE2-CG 3.44Å; E646-R712 IonicContact OE2-CZ 3.84Å; E646-R712 IonicContact OE2-NE 3.99Å; E646-R712 PolarHBondContact OE2-NE 2.83Å; E646-R712 IonicContact OE2-NH2 3.21Å
647	Q	95.4	Very high	97	Very high	37 Å²	37	22.6 Å²	22.6	17%	0.173	12%	0.12	C	C	.	.	H	α-helix	trans	-70.7	-42.6	-178.1	-76.8	-68.6	-1	0	0	112.7	G276 T277 G278 S644 E684	G276-Q647 CarbonylContact C-O 3.58Å; T277-Q647 HydrophobicContact CG2-CB 4.29Å; T277-Q647 PolarHBondContact N-O 2.98Å; T277-Q647 VanDerWaalsContact N-O 3.15Å; T277-Q647 PolarHBondContact OG1-O 2.75Å; G278-Q647 PolarHBondContact N-O 3.24Å; S644-Q647 PolarHBondContact O-N 3.27Å; Q647-E684 PolarHBondContact NE2-OE1 2.99Å; Q647-E684 PolarHBondContact NE2-OE2 3.47Å; Q647-E684 VanDerWaalsContact NE2-OE2 3.07Å
648	K	94.9	Very high	97	Very high	24 Å²	24	22.9 Å²	22.9	10%	0.104	12%	0.121	C	C	.	.	H	α-helix	trans	-71.4	-38.7	-178.9	-73.7	163.9	60.2	-173.6	0	113.4	G278 D279 Q640 S644	G278-K648 CarbonylContact C-O 3.56Å; G278-K648 WeakPolarHBondContact CA-O 3.48Å; G278-K648 WeakPolarHBondContact O-CA 3.14Å; D279-K648 HydrophobicContact CB-CB 4.04Å; D279-K648 HydrophobicContact CB-CG 4.44Å; D279-K648 PolarHBondContact N-O 3.46Å; D279-K648 WeakPolarHBondContact OD2-CE 3.22Å; Q640-K648 PolarHBondContact O-NZ 3.01Å; S644-K648 WeakPolarHBondContact O-CB 3.5Å; S644-K648 WeakPolarHBondContact O-CG 3.49Å; S644-K648 PolarHBondContact O-N 2.98Å; S644-K648 WeakPolarHBondContact OG-CD 3.31Å
649	W	94.4	Very high	97	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.023	12%	0.121	C	C	.	.	H	α-helix	trans	-136.6	3.1	-162.5	-52.6	-40	0	0	0	114.8	D279 F303 N304 P305 Q640 F641 G645 R651	D279-W649 PolarHBondContact OD2-NE1 3.46Å; F303-W649 HydrophobicContact CB-CD2 3.73Å; F303-W649 HydrophobicContact CB-CE3 3.86Å; F303-W649 HydrophobicContact CB-CG 4.05Å; F303-W649 HydrophobicContact CB-CZ3 4.35Å; F303-W649 HydrophobicContact CD1-CB 3.46Å; F303-W649 VanDerWaalsContact CD1-CB 3.46Å; F303-W649 AromaticContact CD1-CD1 3.67Å; F303-W649 HydrophobicContact CD1-CD2 4.07Å; F303-W649 AromaticContact CD1-CG 3.44Å; F303-W649 HydrophobicContact CD1-CG 3.44Å; F303-W649 VanDerWaalsContact CD1-CG 3.44Å; F303-W649 HydrophobicContact CE1-CB 3.76Å; F303-W649 HydrophobicContact CE1-CG 4.18Å; F303-W649 HydrophobicContact CG-CB 4.06Å; F303-W649 HydrophobicContact CG-CD2 4.21Å; F303-W649 HydrophobicContact CG-CG 4.01Å; N304-W649 VanDerWaalsContact C-CZ2 3.48Å; P305-W649 HydrophobicContact CB-CZ2 4.45Å; Q640-W649 WeakPolarHBondContact O-CH2 3.36Å; F641-W649 AromaticContact CD1-CH2 3.77Å; F641-W649 HydrophobicContact CD1-CH2 3.77Å; F641-W649 AromaticContact CD1-CZ3 3.68Å; F641-W649 HydrophobicContact CD1-CZ3 3.68Å; F641-W649 HydrophobicContact CE1-CH2 4.03Å; F641-W649 HydrophobicContact CE1-CZ3 4.26Å; F641-W649 HydrophobicContact CG-CH2 4.28Å; F641-W649 HydrophobicContact CG-CZ3 4.29Å; G645-W649 WeakPolarHBondContact O-CB 3.46Å; G645-W649 PolarHBondContact O-N 2.73Å; G645-W649 VanDerWaalsContact O-N 3.08Å; W649-R651 HydrophobicContact CB-CB 4.29Å; W649-R651 HydrophobicContact CB-CG 3.76Å; W649-R651 PolarHBondContact O-N 3.27Å
650	G	92.3	Very high	97	Very high	35 Å²	35	20.4 Å²	20.4	36%	0.361	11%	0.108	S	C	.	.			trans	63.4	17	-170.5	0	0	0	0	0	113.7	G645 E646 M652	G645-G650 PolarHBondContact O-N 3.04Å; E646-G650 WeakPolarHBondContact O-CA 3.07Å; E646-G650 PolarHBondContact O-N 3.3Å; G650-M652 PolarHBondContact O-N 2.9Å
651	R	92.6	Very high	97	Very high	92 Å²	92	18.8 Å²	18.8	35%	0.347	10%	0.1	S	C	.	.			trans	-90.8	97.1	-174.3	-68.6	-50.8	-55	162.3	-1.2	111.7	F303 T614 G645 E646 W649	F303-R651 HydrophobicContact CD2-CG 3.87Å; F303-R651 HydrophobicContact CE2-CG 4.06Å; F303-R651 HydrophobicContact CG-CG 4.22Å; T614-R651 PolarHBondContact O-NH2 2.82Å; G645-R651 CarbonylContact C-O 3.58Å; G645-R651 PolarHBondContact O-N 2.7Å; G645-R651 VanDerWaalsContact O-N 3.08Å; E646-R651 PolarHBondContact N-O 3.49Å; W649-R651 HydrophobicContact CB-CB 4.29Å; W649-R651 HydrophobicContact CB-CG 3.76Å; W649-R651 PolarHBondContact O-N 3.27Å
652	M	95.1	Very high	96.9	Very high	72 Å²	72	18.8 Å²	18.8	36%	0.355	10%	0.101	S	C	.	.			trans	-61.1	142.5	166.3	-50.2	-49.9	-66.9	0	0	110.9	E646 G650 R711 R712	E646-M652 VanDerWaalsContact CD-SD 3.59Å; E646-M652 HydrophobicContact CG-CE 4.43Å; E646-M652 HydrophobicContact CG-SD 3.76Å; G650-M652 PolarHBondContact O-N 2.9Å; M652-R711 CarbonylContact C-O 3.52Å; M652-R711 HydrophobicContact CB-CB 4.15Å; M652-R711 WeakPolarHBondContact CB-O 3.39Å; M652-R712 HydrophobicContact CE-CG 3.8Å
653	C	96.9	Very high	96.9	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.034	10%	0.099	C	C	.	.			trans	-143	126.7	178.4	-174.3	0	0	0	0	110.5	Y610 T614 R711 R712 P713	Y610-C653 HydrophobicContact CD2-CB 4.16Å; Y610-C653 WeakPolarHBondContact CD2-SG 3.29Å; Y610-C653 HydrophobicContact CE2-CB 3.83Å; T614-C653 WeakPolarHBondContact OG1-CB 3.39Å; T614-C653 PolarHBondContact OG1-SG 3.45Å; C653-R711 CarbonylContact C-O 3.22Å; C653-R711 PolarHBondContact N-O 3.02Å; C653-R711 CarbonylContact O-C 3.57Å; C653-R711 VanDerWaalsContact O-O 3.06Å; C653-R712 CarbonylContact O-C 3.55Å; C653-R712 WeakPolarHBondContact O-CA 3.48Å; C653-R712 PolarHBondContact O-N 2.72Å; C653-P713 HydrophobicContact CB-CG 4.36Å; C653-P713 WeakPolarHBondContact O-CD 3.31Å; C653-P713 VanDerWaalsContact O-N 3.16Å
654	G	97.5	Very high	96.8	Very high	9 Å²	9	19.7 Å²	19.7	9%	0.093	10%	0.104	C	C	.	.			trans	-87.3	1	-176.5	0	0	0	0	0	116	Q705	G654-Q705 PolarHBondContact O-NE2 3.24Å
655	L	98.4	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.			trans	-57	134.1	-167.2	-178	63.3	0	0	0	113.5	L606 E609 A613 T621 W623 I642 P713 L714	L606-L655 HydrophobicContact CD1-CD2 3.76Å; E609-L655 HydrophobicContact CB-CD1 3.81Å; A613-L655 HydrophobicContact CB-CB 3.96Å; T621-L655 HydrophobicContact CG2-CD1 4.08Å; W623-L655 HydrophobicContact CB-CD1 4.35Å; I642-L655 HydrophobicContact CD1-CD2 3.95Å; I642-L655 HydrophobicContact CG1-CD2 4.43Å; L655-P713 WeakPolarHBondContact O-CA 3.5Å; L655-L714 PolarHBondContact O-N 3.47Å
656	V	98.7	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.5	166.2	-174.1	0	0	0	0	109.3	L620 T621 I622 W623 L658 L702 Q705 L714 V716	L620-V656 HydrophobicContact CD1-CG2 3.73Å; T621-V656 PolarHBondContact O-N 3.39Å; I622-V656 HydrophobicContact CB-CB 4.32Å; I622-V656 HydrophobicContact CG1-CB 4.09Å; I622-V656 HydrophobicContact CG1-CG2 4.27Å; I622-V656 HydrophobicContact CG2-CB 4.09Å; I622-V656 HydrophobicContact CG2-CG1 4.22Å; W623-V656 PolarHBondContact N-O 2.87Å; V656-L658 HydrophobicContact CG1-CD2 3.91Å; V656-L658 HydrophobicContact CG1-CG 4.34Å; V656-L702 HydrophobicContact CG1-CD2 4.38Å; V656-Q705 HydrophobicContact CG2-CG 3.83Å; V656-L714 CarbonylContact C-O 3.6Å; V656-L714 WeakPolarHBondContact CA-O 3.31Å; V656-L714 HydrophobicContact CG1-CD2 4.21Å; V656-L714 HydrophobicContact CG1-CG 4.43Å; V656-L714 HydrophobicContact CG2-CB 4.34Å; V656-L714 HydrophobicContact CG2-CD2 4.14Å; V656-V716 HydrophobicContact CG1-CG2 3.84Å
657	M	98.8	Very high	96.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.3	168.7	-62.6	176.8	67.5	0	0	108.7	L606 W623 I638 I642 L659 Y678 L714 V715 V716	L606-M657 HydrophobicContact CD1-CE 4.11Å; L606-M657 HydrophobicContact CD1-CG 4.15Å; L606-M657 HydrophobicContact CD1-SD 4.27Å; L606-M657 HydrophobicContact CD2-CE 3.58Å; L606-M657 HydrophobicContact CD2-SD 4.31Å; W623-M657 HydrophobicContact CE3-CE 3.99Å; W623-M657 HydrophobicContact CE3-CG 4.4Å; W623-M657 HydrophobicContact CZ3-CE 3.85Å; W623-M657 CarbonylContact O-C 3.43Å; W623-M657 WeakPolarHBondContact O-CA 3.37Å; I638-M657 HydrophobicContact CD1-CE 4.07Å; I638-M657 HydrophobicContact CG1-CE 4.05Å; I642-M657 HydrophobicContact CD1-SD 3.8Å; M657-L659 HydrophobicContact CB-CD1 4.48Å; M657-L659 HydrophobicContact CB-CD2 4.32Å; M657-L659 HydrophobicContact CB-CG 4.2Å; M657-L659 HydrophobicContact CE-CD1 4.42Å; M657-L659 HydrophobicContact CE-CD2 4.22Å; M657-Y678 HydrophobicContact CE-CE1 4.36Å; M657-L714 PolarHBondContact N-O 2.9Å; M657-V715 HydrophobicContact SD-CG2 4.49Å; M657-V716 WeakPolarHBondContact O-CB 3.28Å; M657-V716 PolarHBondContact O-N 3.02Å
658	L	98.7	Very high	96.6	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.5	169.9	-59.1	-177.7	0	0	0	108.6	I622 W623 E624 A625 V656 V716	I622-L658 HydrophobicContact CG2-CD1 3.74Å; I622-L658 HydrophobicContact CG2-CG 3.72Å; W623-L658 PolarHBondContact O-N 2.99Å; E624-L658 WeakPolarHBondContact CA-O 3.39Å; E624-L658 HydrophobicContact CB-CB 4.08Å; E624-L658 HydrophobicContact CG-CB 4.12Å; A625-L658 PolarHBondContact N-O 2.79Å; V656-L658 HydrophobicContact CG1-CD2 3.91Å; V656-L658 HydrophobicContact CG1-CG 4.34Å; L658-V716 HydrophobicContact CD2-CB 3.85Å; L658-V716 HydrophobicContact CD2-CG1 4.02Å; L658-V716 HydrophobicContact CD2-CG2 3.97Å
659	L	98.7	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	100.2	-173.6	-57.8	180	0	0	0	110.2	W623 A625 A631 M657 H661 A673 Y678 V715 V716 M717 S718	W623-L659 HydrophobicContact CE3-CD2 4.33Å; W623-L659 HydrophobicContact CZ3-CD2 3.75Å; A625-L659 HydrophobicContact CB-CD2 3.9Å; A631-L659 HydrophobicContact CB-CD2 3.69Å; M657-L659 HydrophobicContact CB-CD1 4.48Å; M657-L659 HydrophobicContact CB-CD2 4.32Å; M657-L659 HydrophobicContact CB-CG 4.2Å; M657-L659 HydrophobicContact CE-CD1 4.42Å; M657-L659 HydrophobicContact CE-CD2 4.22Å; L659-H661 PolarHBondContact O-N 2.67Å; L659-H661 VanDerWaalsContact O-N 3.08Å; L659-A673 HydrophobicContact CB-CB 3.77Å; L659-A673 HydrophobicContact CD1-CB 4.31Å; L659-Y678 HydrophobicContact CD1-CD2 4.4Å; L659-Y678 HydrophobicContact CD1-CE1 4.39Å; L659-Y678 HydrophobicContact CD1-CE2 3.48Å; L659-Y678 VanDerWaalsContact CD1-CE2 3.48Å; L659-Y678 VanDerWaalsContact CD1-CZ 3.48Å; L659-Y678 VanDerWaalsContact CD1-OH 3.31Å; L659-Y678 WeakPolarHBondContact CD1-OH 3.41Å; L659-V715 HydrophobicContact CD1-CG1 3.67Å; L659-V716 WeakPolarHBondContact CB-O 3.39Å; L659-V716 PolarHBondContact N-O 2.74Å; L659-M717 HydrophobicContact CB-CE 4.13Å; L659-M717 HydrophobicContact CD1-CE 3.86Å; L659-S718 PolarHBondContact N-OG 2.79Å; L659-S718 PolarHBondContact O-N 2.85Å; L659-S718 PolarHBondContact O-OG 2.9Å
660	P	98.6	Very high	96.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	112.5	-176	-27.1	34.8	0	0	0	113.2	F564 A625 G628 S718 K720	F564-P660 HydrophobicContact CE2-CB 3.59Å; F564-P660 HydrophobicContact CE2-CG 3.67Å; F564-P660 HydrophobicContact CZ-CB 3.7Å; F564-P660 HydrophobicContact CZ-CG 4.11Å; A625-P660 WeakPolarHBondContact O-CD 3.33Å; A625-P660 VanDerWaalsContact O-CG 3.31Å; A625-P660 WeakPolarHBondContact O-CG 3.23Å; G628-P660 PolarHBondContact N-O 3Å; P660-S718 CarbonylContact C-O 3.56Å; P660-S718 VanDerWaalsContact CA-O 3.29Å; P660-S718 WeakPolarHBondContact CA-O 3.39Å; P660-S718 WeakPolarHBondContact CA-OG 3.4Å; P660-K720 HydrophobicContact CB-CD 4.17Å; P660-K720 HydrophobicContact CB-CG 3.94Å
661	H	98.6	Very high	97.1	Very high	22 Å²	22	26.3 Å²	26.3	10%	0.102	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.6	-171.7	-174.8	110.8	0	0	0	110.4	L659 A673 M717 S718	L659-H661 PolarHBondContact O-N 2.67Å; L659-H661 VanDerWaalsContact O-N 3.08Å; H661-A673 HydrophobicContact CB-CB 4.38Å; H661-A673 PolarHBondContact ND1-N 2.72Å; H661-M717 HydrophobicContact CB-CB 3.96Å; H661-M717 HydrophobicContact CB-CG 4.48Å; H661-M717 HydrophobicContact CB-SD 4.04Å; H661-M717 PolarHBondContact ND1-SD 2.95Å; H661-M717 VanDerWaalsContact ND1-SD 3.44Å; H661-S718 PolarHBondContact N-O 2.86Å
662	G	97.2	Very high	97.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	11%	0.114	C	C	.	.			trans	145.6	137.9	170.2	0	0	0	0	0	111.7	E664 S671 K720	G662-E664 PolarHBondContact O-N 3.33Å; G662-S671 CarbonylContact C-O 3.45Å; G662-S671 PolarHBondContact N-O 2.82Å; G662-K720 WeakPolarHBondContact O-CE 3.46Å; G662-K720 PolarHBondContact O-NZ 2.86Å
663	Y	98.1	Very high	97.5	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	10%	0.099	C	C	.	.			trans	-89.3	101.9	-175.7	-76.1	-118.6	0	0	0	108.9	S672 E815 E816 P817 P851 A852 H859	Y663-S672 WeakPolarHBondContact OH-CB 3.24Å; Y663-S672 PolarHBondContact OH-OG 2.94Å; Y663-E815 WeakPolarHBondContact CB-OE2 3.38Å; Y663-E815 HydrophobicContact CD2-CB 3.89Å; Y663-E815 HydrophobicContact CG-CB 3.99Å; Y663-E815 PolarHBondContact N-OE2 2.96Å; Y663-E816 HydrophobicContact CD2-CG 4.5Å; Y663-E816 HydrophobicContact CE2-CB 4.28Å; Y663-E816 HydrophobicContact CE2-CG 3.66Å; Y663-P817 WeakPolarHBondContact OH-CD 3.34Å; Y663-P851 WeakPolarHBondContact CE1-O 3.47Å; Y663-A852 HydrophobicContact CD1-CB 4.06Å; Y663-A852 HydrophobicContact CE1-CB 3.97Å; Y663-H859 PolarHBondContact O-CE1 2.94Å; Y663-H859 PolarHBondContact O-NE2 3.44Å
664	E	96.3	Very high	97.6	Very high	34 Å²	34	21.1 Å²	21.1	16%	0.159	11%	0.107	C	C	.	.	S	Bend	trans	-128.2	17.1	-169.4	-64.5	170.7	177.8	0	0	112.2	G662 Q666 K720 S721 K764 M856	G662-E664 PolarHBondContact O-N 3.33Å; E664-Q666 HydrophobicContact CB-CG 4.17Å; E664-Q666 PolarHBondContact O-N 2.76Å; E664-Q666 PolarHBondContact OE2-NE2 3.11Å; E664-K720 WeakPolarHBondContact OE1-CB 3.39Å; E664-K720 WeakPolarHBondContact OE2-CB 3.35Å; E664-K720 WeakPolarHBondContact OE2-CE 3.21Å; E664-S721 WeakPolarHBondContact OE1-CB 3.28Å; E664-S721 PolarHBondContact OE1-N 3.09Å; E664-S721 PolarHBondContact OE1-OG 3Å; E664-K764 HydrophobicContact CG-CD 4.4Å; E664-M856 WeakPolarHBondContact O-CE 3.35Å
665	G	94.9	Very high	97.6	Very high	9 Å²	9	20.9 Å²	20.9	9%	0.093	10%	0.104	C	C	.	.	S	Bend	trans	71	11.5	178	0	0	0	0	0	115.5	G667 H859	G665-G667 PolarHBondContact O-N 3.49Å; G665-H859 WeakPolarHBondContact CA-CD2 3.31Å; G665-H859 VanDerWaalsContact CA-CG 3.42Å; G665-H859 PolarHBondContact N-CD2 3.35Å; G665-H859 VanDerWaalsContact N-CD2 3.3Å; G665-H859 PolarHBondContact N-NE2 3.15Å
666	Q	95.8	Very high	97.6	Very high	91 Å²	91	22.6 Å²	22.6	43%	0.425	11%	0.112	S	C	.	.	S	Bend	trans	-78.4	11.5	-177.6	-54.5	-164.9	53.8	0	0	114.2	E664 H670	E664-Q666 HydrophobicContact CB-CG 4.17Å; E664-Q666 PolarHBondContact O-N 2.76Å; E664-Q666 PolarHBondContact OE2-NE2 3.11Å; Q666-H670 HydrophobicContact CB-CB 3.87Å; Q666-H670 PolarHBondContact O-ND1 3.27Å
667	G	95.3	Very high	97.6	Very high	10 Å²	10	26.3 Å²	26.3	10%	0.103	13%	0.126	C	C	.	.			trans	90.8	177.5	-175.2	0	0	0	0	0	113.8	G665 S671	G665-G667 PolarHBondContact O-N 3.49Å; G667-S671 WeakPolarHBondContact O-CB 3.35Å; G667-S671 PolarHBondContact O-OG 2.91Å
668	P	96.3	Very high	97.6	Very high	28 Å²	28	26.5 Å²	26.5	18%	0.182	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-76.4	-33.3	-164.1	-6.8	21.9	0	0	0	114.5	D629 S850 P851	D629-P668 VanDerWaalsContact OD1-O 3.09Å; P668-S850 VanDerWaalsContact CB-OG 3.29Å; P668-S850 WeakPolarHBondContact CB-OG 3.48Å; P668-P851 WeakPolarHBondContact O-CB 3.43Å
669	E	96.2	Very high	97.6	Very high	98 Å²	98	26.9 Å²	26.9	46%	0.458	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-96.5	15.8	-179.5	-67.4	64.6	-143.1	0	0	113.3	D629 F630	D629-E669 VanDerWaalsContact CB-O 3.27Å; D629-E669 WeakPolarHBondContact CB-O 3.46Å; D629-E669 VanDerWaalsContact CG-O 3.3Å; D629-E669 WeakPolarHBondContact OD1-CA 3.28Å; F630-E669 HydrophobicContact CE1-CB 4.31Å; F630-E669 VanDerWaalsContact CE1-O 3.28Å; F630-E669 WeakPolarHBondContact CE1-O 3.48Å
670	H	97.7	Very high	97.6	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.329	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-130.4	26.7	172.3	-58.6	98.3	0	0	0	111.3	F627 D629 F630 Q666 K720	F627-H670 HydrophobicContact CD1-CB 3.84Å; F627-H670 AromaticContact CD1-CD2 3.94Å; F627-H670 AromaticContact CD2-CD2 3.79Å; F627-H670 HydrophobicContact CE1-CB 3.78Å; F627-H670 AromaticContact CE1-CD2 3.86Å; F627-H670 AromaticContact CE2-CD2 3.72Å; F627-H670 AromaticContact CG-CD2 3.89Å; F627-H670 HydrophobicContact CZ-CB 4.44Å; F627-H670 AromaticContact CZ-CD2 3.75Å; D629-H670 PolarHBondContact OD1-N 2.81Å; F630-H670 AromaticContact CZ-NE2 3.89Å; Q666-H670 HydrophobicContact CB-CB 3.87Å; Q666-H670 PolarHBondContact O-ND1 3.27Å; H670-K720 PolarHBondContact O-NZ 3.31Å
671	S	97.9	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-45.7	-169.7	-72.1	0	0	0	0	113.8	D629 G662 G667 A852	D629-S671 PolarHBondContact OD1-N 2.94Å; D629-S671 PolarHBondContact OD2-N 3.17Å; G662-S671 CarbonylContact C-O 3.45Å; G662-S671 PolarHBondContact N-O 2.82Å; G667-S671 WeakPolarHBondContact O-CB 3.35Å; G667-S671 PolarHBondContact O-OG 2.91Å; S671-A852 WeakPolarHBondContact OG-CB 2.86Å
672	S	98	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.			trans	-132.9	111.8	-162.3	-171.9	0	0	0	0	112.8	D629 Y663 R674	D629-S672 WeakPolarHBondContact CA-O 3.48Å; D629-S672 VanDerWaalsContact CG-N 3.32Å; D629-S672 PolarHBondContact OD1-N 2.76Å; D629-S672 PolarHBondContact OD2-N 2.95Å; Y663-S672 WeakPolarHBondContact OH-CB 3.24Å; Y663-S672 PolarHBondContact OH-OG 2.94Å; S672-R674 PolarHBondContact O-N 3.3Å; S672-R674 PolarHBondContact OG-N 3.44Å
673	A	98.4	Very high	97.6	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.195	C	C	.	.			trans	-65.6	8.1	164.3	0	0	0	0	0	114.7	L659 H661 L675 Y678 M717	L659-A673 HydrophobicContact CB-CB 3.77Å; L659-A673 HydrophobicContact CD1-CB 4.31Å; H661-A673 HydrophobicContact CB-CB 4.38Å; H661-A673 PolarHBondContact ND1-N 2.72Å; A673-L675 PolarHBondContact O-N 2.99Å; A673-Y678 VanDerWaalsContact O-CE2 3.31Å; A673-Y678 WeakPolarHBondContact O-CE2 3.47Å; A673-M717 HydrophobicContact CB-CE 3.87Å; A673-M717 HydrophobicContact CB-SD 3.69Å
674	R	98.5	Very high	97.5	Very high	57 Å²	57	44.4 Å²	44.4	22%	0.215	22%	0.222	C	C	.	.			trans	55.5	54.5	178.7	-59.4	-176.9	178.4	-81	2.7	112.8	S672 E676 R677	S672-R674 PolarHBondContact O-N 3.3Å; S672-R674 PolarHBondContact OG-N 3.44Å; R674-E676 VanDerWaalsContact C-OE2 3.3Å; R674-E676 WeakPolarHBondContact CA-OE1 3.5Å; R674-E676 WeakPolarHBondContact CA-OE2 3.45Å; R674-E676 VanDerWaalsContact CB-OE1 3.26Å; R674-E676 WeakPolarHBondContact CB-OE1 3.48Å; R674-E676 PolarHBondContact O-N 3.08Å; R674-E676 VanDerWaalsContact O-N 3.09Å; R674-R677 HydrophobicContact CB-CB 4.42Å; R674-R677 VanDerWaalsContact O-CB 3.32Å; R674-R677 WeakPolarHBondContact O-CB 3.24Å; R674-R677 PolarHBondContact O-N 3.37Å
675	L	98.6	Very high	97.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-48.3	-36.8	-179.8	174.3	59.5	0	0	0	112.7	A673 R677 Y678 L679 V689 V691 M717 L789 E816	A673-L675 PolarHBondContact O-N 2.99Å; L675-R677 PolarHBondContact O-N 3.07Å; L675-Y678 PolarHBondContact O-N 2.97Å; L675-L679 HydrophobicContact CD1-CD1 4.02Å; L675-L679 HydrophobicContact CD1-CG 4.11Å; L675-L679 HydrophobicContact CG-CD1 3.88Å; L675-L679 HydrophobicContact CG-CG 4.41Å; L675-L679 WeakPolarHBondContact O-CG 3.41Å; L675-L679 PolarHBondContact O-N 3.13Å; L675-V689 HydrophobicContact CD1-CG1 3.43Å; L675-V689 VanDerWaalsContact CD1-CG1 3.43Å; L675-V691 HydrophobicContact CD2-CG2 4.43Å; L675-M717 HydrophobicContact CB-SD 4.03Å; L675-M717 HydrophobicContact CD1-CE 4.42Å; L675-M717 HydrophobicContact CD1-CG 4.03Å; L675-M717 HydrophobicContact CD1-SD 4.1Å; L675-L789 HydrophobicContact CD1-CD1 4.14Å; L675-L789 HydrophobicContact CD2-CD1 3.72Å; L675-L789 HydrophobicContact CG-CD1 4.38Å; L675-E816 WeakPolarHBondContact CD2-OE1 3.35Å
676	E	98.4	Very high	97.6	Very high	35 Å²	35	47.7 Å²	47.7	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-31.9	175.7	67.5	-72.6	168.5	0	0	113.7	R674 Q680 Q820 G821	R674-E676 VanDerWaalsContact C-OE2 3.3Å; R674-E676 WeakPolarHBondContact CA-OE1 3.5Å; R674-E676 WeakPolarHBondContact CA-OE2 3.45Å; R674-E676 VanDerWaalsContact CB-OE1 3.26Å; R674-E676 WeakPolarHBondContact CB-OE1 3.48Å; R674-E676 PolarHBondContact O-N 3.08Å; R674-E676 VanDerWaalsContact O-N 3.09Å; E676-Q680 WeakPolarHBondContact O-CB 3.29Å; E676-Q680 PolarHBondContact O-N 2.81Å; E676-Q820 HydrophobicContact CG-CB 4.45Å; E676-Q820 HydrophobicContact CG-CG 4.45Å; E676-Q820 WeakPolarHBondContact OE2-CA 3.43Å; E676-Q820 WeakPolarHBondContact OE2-CB 3.18Å; E676-G821 WeakPolarHBondContact CA-O 3.42Å; E676-G821 WeakPolarHBondContact CB-O 3.38Å; E676-G821 PolarHBondContact OE2-N 3.34Å
677	R	98.5	Very high	97.7	Very high	78 Å²	78	43.4 Å²	43.4	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-72.9	-44.1	179.7	-170.1	-179.5	-62.8	163.5	-1	111.2	R674 L675 L679 Q680 L681	R674-R677 HydrophobicContact CB-CB 4.42Å; R674-R677 VanDerWaalsContact O-CB 3.32Å; R674-R677 WeakPolarHBondContact O-CB 3.24Å; R674-R677 PolarHBondContact O-N 3.37Å; L675-R677 PolarHBondContact O-N 3.07Å; R677-L679 VanDerWaalsContact C-N 3.34Å; R677-Q680 PolarHBondContact O-N 2.88Å; R677-L681 WeakPolarHBondContact O-CG 3.16Å; R677-L681 PolarHBondContact O-N 2.76Å; R677-L681 VanDerWaalsContact O-N 3.17Å
678	Y	98.7	Very high	97.8	Very high	6 Å²	6	43 Å²	43	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-40.8	175.2	-65.4	-73.8	0	0	0	111.3	I638 M657 L659 A673 L675 L681 C682 V715 M717	I638-Y678 HydrophobicContact CD1-CE1 4.03Å; I638-Y678 WeakPolarHBondContact CD1-OH 3.45Å; I638-Y678 HydrophobicContact CG1-CE1 4.35Å; I638-Y678 HydrophobicContact CG2-CD1 4.2Å; I638-Y678 HydrophobicContact CG2-CE1 3.74Å; M657-Y678 HydrophobicContact CE-CE1 4.36Å; L659-Y678 HydrophobicContact CD1-CD2 4.4Å; L659-Y678 HydrophobicContact CD1-CE1 4.39Å; L659-Y678 HydrophobicContact CD1-CE2 3.48Å; L659-Y678 VanDerWaalsContact CD1-CE2 3.48Å; L659-Y678 VanDerWaalsContact CD1-CZ 3.48Å; L659-Y678 VanDerWaalsContact CD1-OH 3.31Å; L659-Y678 WeakPolarHBondContact CD1-OH 3.41Å; A673-Y678 VanDerWaalsContact O-CE2 3.31Å; A673-Y678 WeakPolarHBondContact O-CE2 3.47Å; L675-Y678 PolarHBondContact O-N 2.97Å; Y678-L681 PolarHBondContact O-N 3.06Å; Y678-C682 PolarHBondContact O-N 2.75Å; Y678-C682 PolarHBondContact O-SG 2.99Å; Y678-V715 HydrophobicContact CD1-CB 4.43Å; Y678-V715 HydrophobicContact CD1-CG1 3.87Å; Y678-V715 HydrophobicContact CD1-CG2 3.8Å; Y678-V715 HydrophobicContact CD2-CG1 3.96Å; Y678-V715 HydrophobicContact CE1-CG1 4.1Å; Y678-V715 HydrophobicContact CE1-CG2 4.19Å; Y678-V715 HydrophobicContact CE2-CG1 4.18Å; Y678-V715 HydrophobicContact CG-CG1 3.8Å; Y678-V715 HydrophobicContact CG-CG2 4.37Å; Y678-M717 HydrophobicContact CD2-CE 4.35Å
679	L	98.6	Very high	98	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-70.3	-26.4	176.1	-66.3	174	0	0	0	113.7	L675 R677 C682 V689 L789 A822 C825	L675-L679 HydrophobicContact CD1-CD1 4.02Å; L675-L679 HydrophobicContact CD1-CG 4.11Å; L675-L679 HydrophobicContact CG-CD1 3.88Å; L675-L679 HydrophobicContact CG-CG 4.41Å; L675-L679 WeakPolarHBondContact O-CG 3.41Å; L675-L679 PolarHBondContact O-N 3.13Å; R677-L679 VanDerWaalsContact C-N 3.34Å; L679-C682 WeakPolarHBondContact O-CB 3.26Å; L679-C682 PolarHBondContact O-N 3.03Å; L679-V689 HydrophobicContact CD2-CB 3.97Å; L679-V689 HydrophobicContact CD2-CG1 3.96Å; L679-V689 HydrophobicContact CD2-CG2 4.11Å; L679-V689 HydrophobicContact CG-CG1 4.4Å; L679-L789 HydrophobicContact CD1-CD1 4.32Å; L679-L789 HydrophobicContact CD2-CB 4Å; L679-A822 HydrophobicContact CD1-CB 3.98Å; L679-C825 HydrophobicContact CB-CB 3.7Å; L679-C825 HydrophobicContact CD1-CB 4.35Å
680	Q	98.3	Very high	98.1	Very high	155 Å²	155	37 Å²	37	72%	0.724	18%	0.18	S	C	*	.	H	α-helix	trans	-67.5	-38.3	169.1	-175.6	-166.5	86.1	0	0	111.6	E676 R677 C682	E676-Q680 WeakPolarHBondContact O-CB 3.29Å; E676-Q680 PolarHBondContact O-N 2.81Å; R677-Q680 PolarHBondContact O-N 2.88Å; Q680-C682 PolarHBondContact O-N 3.48Å
681	L	98.4	Very high	98.1	Very high	40 Å²	40	34 Å²	34	21%	0.209	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.9	178.5	-67.5	169.2	0	0	0	113.6	I638 D639 R677 Y678 A683 N686 M687	I638-L681 HydrophobicContact CG2-CD1 3.72Å; D639-L681 WeakPolarHBondContact OD1-CD1 3.4Å; R677-L681 WeakPolarHBondContact O-CG 3.16Å; R677-L681 PolarHBondContact O-N 2.76Å; R677-L681 VanDerWaalsContact O-N 3.17Å; Y678-L681 PolarHBondContact O-N 3.06Å; L681-A683 PolarHBondContact O-N 3.39Å; L681-N686 PolarHBondContact O-ND2 3.06Å; L681-M687 HydrophobicContact CB-CE 3.66Å
682	C	98.3	Very high	98.1	Very high	22 Å²	22	34.1 Å²	34.1	15%	0.149	17%	0.168	C	C	.	.			trans	-82.3	104.8	-177.8	-79.7	0	0	0	0	112.5	Y678 L679 Q680 V689 Y790	Y678-C682 PolarHBondContact O-N 2.75Å; Y678-C682 PolarHBondContact O-SG 2.99Å; L679-C682 WeakPolarHBondContact O-CB 3.26Å; L679-C682 PolarHBondContact O-N 3.03Å; Q680-C682 PolarHBondContact O-N 3.48Å; C682-V689 VanDerWaalsContact SG-CG2 3.58Å; C682-Y790 HydrophobicContact CB-CD1 3.66Å; C682-Y790 HydrophobicContact CB-CD2 3.61Å; C682-Y790 HydrophobicContact CB-CE1 3.7Å; C682-Y790 HydrophobicContact CB-CE2 3.64Å; C682-Y790 HydrophobicContact CB-CG 3.59Å; C682-Y790 WeakPolarHBondContact SG-CD1 3.47Å
683	A	97.7	Very high	98.2	Very high	52 Å²	52	34.1 Å²	34.1	43%	0.43	17%	0.168	S	C	.	.			trans	-139.4	149	177.6	0	0	0	0	0	111.3	L681 Q685 N686 Y790	L681-A683 PolarHBondContact O-N 3.39Å; A683-Q685 PolarHBondContact O-N 2.92Å; A683-N686 PolarHBondContact N-OD1 3.05Å; A683-N686 VanDerWaalsContact N-OD1 3.08Å; A683-N686 WeakPolarHBondContact O-CB 3.17Å; A683-N686 PolarHBondContact O-N 3.05Å; A683-N686 PolarHBondContact O-OD1 2.85Å; A683-Y790 WeakPolarHBondContact CA-OH 3.38Å; A683-Y790 PolarHBondContact N-OH 2.84Å; A683-Y790 PolarHBondContact O-OH 3.16Å
684	E	96.4	Very high	98.1	Very high	126 Å²	126	34.6 Å²	34.6	59%	0.589	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	33.5	171.1	-59.4	-175.2	86.9	0	0	116	Q647 N686 Y790	Q647-E684 PolarHBondContact NE2-OE1 2.99Å; Q647-E684 PolarHBondContact NE2-OE2 3.47Å; Q647-E684 VanDerWaalsContact NE2-OE2 3.07Å; E684-N686 VanDerWaalsContact C-N 3.25Å; E684-N686 PolarHBondContact O-N 3.17Å; E684-Y790 PolarHBondContact N-OH 2.87Å
685	Q	95.6	Very high	98.1	Very high	100 Å²	100	31.9 Å²	31.9	47%	0.467	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	17.6	-179.2	-48.4	-78.4	-45.6	0	0	114.6	A683 M687 R712 Y790	A683-Q685 PolarHBondContact O-N 2.92Å; Q685-M687 PolarHBondContact O-N 3.29Å; Q685-R712 WeakPolarHBondContact O-CD 3.4Å; Q685-R712 PolarHBondContact O-NE 3.17Å; Q685-R712 PolarHBondContact O-NH1 3.21Å; Q685-Y790 WeakPolarHBondContact CA-OH 3.41Å; Q685-Y790 PolarHBondContact N-OH 2.95Å
686	N	97.6	Very high	98	Very high	11 Å²	11	32 Å²	32	6%	0.059	16%	0.162	C	C	.	.			trans	-57.7	-42.8	-171.7	62.9	-17.2	0	0	0	115.9	S643 L681 A683 E684	S643-N686 PolarHBondContact O-ND2 3.49Å; L681-N686 PolarHBondContact O-ND2 3.06Å; A683-N686 PolarHBondContact N-OD1 3.05Å; A683-N686 VanDerWaalsContact N-OD1 3.08Å; A683-N686 WeakPolarHBondContact O-CB 3.17Å; A683-N686 PolarHBondContact O-N 3.05Å; A683-N686 PolarHBondContact O-OD1 2.85Å; E684-N686 VanDerWaalsContact C-N 3.25Å; E684-N686 PolarHBondContact O-N 3.17Å
687	M	98.3	Very high	98	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.			trans	-123	177.7	-177.6	-64.9	-168.3	-67.4	0	0	110.8	I642 L681 Q685 P713 V715 Y790	I642-M687 HydrophobicContact CG2-SD 4.18Å; L681-M687 HydrophobicContact CB-CE 3.66Å; Q685-M687 PolarHBondContact O-N 3.29Å; M687-P713 HydrophobicContact CG-CB 4.36Å; M687-V715 HydrophobicContact SD-CG2 4.42Å; M687-Y790 WeakPolarHBondContact O-CD1 3.41Å; M687-Y790 VanDerWaalsContact O-CE1 3.31Å; M687-Y790 WeakPolarHBondContact O-CE1 3.08Å
688	Q	98.5	Very high	97.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136	165.3	-58.1	158.6	101.4	0	0	108	M710 R712 P713 L714 V715 Y790	Q688-M710 HydrophobicContact CG-CE 4.37Å; Q688-R712 PolarHBondContact NE2-O 2.54Å; Q688-R712 VanDerWaalsContact NE2-O 3.09Å; Q688-P713 PolarHBondContact N-O 3.22Å; Q688-P713 PolarHBondContact NE2-O 2.94Å; Q688-L714 HydrophobicContact CB-CD1 3.7Å; Q688-V715 PolarHBondContact O-N 2.99Å; Q688-Y790 CarbonylContact C-O 3.59Å; Q688-Y790 VanDerWaalsContact CA-O 3.3Å; Q688-Y790 WeakPolarHBondContact CA-O 3.3Å
689	V	98.7	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111.4	176.8	-176.7	0	0	0	0	107.9	L675 L679 C682 V715 L789 Y790	L675-V689 HydrophobicContact CD1-CG1 3.43Å; L675-V689 VanDerWaalsContact CD1-CG1 3.43Å; L679-V689 HydrophobicContact CD2-CB 3.97Å; L679-V689 HydrophobicContact CD2-CG1 3.96Å; L679-V689 HydrophobicContact CD2-CG2 4.11Å; L679-V689 HydrophobicContact CG-CG1 4.4Å; C682-V689 VanDerWaalsContact SG-CG2 3.58Å; V689-V715 WeakPolarHBondContact CA-O 3.05Å; V689-V715 HydrophobicContact CG2-CB 4.37Å; V689-L789 PolarHBondContact O-N 2.89Å; V689-Y790 PolarHBondContact N-O 2.65Å; V689-Y790 PolarHBondContact O-N 3.11Å
690	C	98.6	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.5	-175.9	-71.3	0	0	0	0	111.3	M701 L714 V715 V716 M717 E787	C690-M701 HydrophobicContact CB-SD 3.57Å; C690-M701 VanDerWaalsContact CB-SD 3.57Å; C690-L714 HydrophobicContact CB-CD1 4.17Å; C690-V715 PolarHBondContact N-O 2.9Å; C690-V716 WeakPolarHBondContact O-CA 3.39Å; C690-M717 PolarHBondContact O-N 3.42Å; C690-E787 CarbonylContact C-O 3.51Å; C690-E787 VanDerWaalsContact CA-O 3.29Å; C690-E787 WeakPolarHBondContact CA-O 3.35Å
691	V	98.7	Very high	97.7	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.055	11%	0.11	C	C	.	.			trans	-134.5	69.2	-179.2	-169.6	0	0	0	0	107.4	L675 S693 M717 S762 G763 E787 L789	L675-V691 HydrophobicContact CD2-CG2 4.43Å; V691-S693 PolarHBondContact O-N 3.03Å; V691-M717 HydrophobicContact CB-CB 4.23Å; V691-M717 HydrophobicContact CB-CG 4.46Å; V691-M717 HydrophobicContact CG1-CB 3.89Å; V691-M717 HydrophobicContact CG1-CG 4.35Å; V691-M717 HydrophobicContact CG2-CB 4.02Å; V691-M717 HydrophobicContact CG2-CG 3.71Å; V691-S762 VanDerWaalsContact CB-OG 3.24Å; V691-S762 WeakPolarHBondContact CB-OG 3.12Å; V691-G763 VanDerWaalsContact CG1-CA 3.41Å; V691-E787 PolarHBondContact N-O 2.93Å; V691-L789 HydrophobicContact CG2-CD1 3.61Å; V691-L789 HydrophobicContact CG2-CG 4.28Å
692	P	98.3	Very high	97.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	10%	0.1	C	C	.	.			trans	-62	137.3	-173.4	24.3	-32.9	0	0	0	111.3	W534 Q697 M701 V716 E787	W534-P692 HydrophobicContact CH2-CB 3.83Å; W534-P692 HydrophobicContact CH2-CG 3.77Å; W534-P692 WeakPolarHBondContact CH2-O 3.27Å; W534-P692 HydrophobicContact CZ2-CB 4.38Å; W534-P692 HydrophobicContact CZ2-CG 3.92Å; P692-Q697 HydrophobicContact CB-CB 3.87Å; P692-M701 HydrophobicContact CG-CE 4.27Å; P692-M701 HydrophobicContact CG-SD 4.33Å; P692-V716 HydrophobicContact CG-CG1 3.9Å; P692-E787 WeakPolarHBondContact CA-OE2 3.24Å
693	S	98.2	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.			trans	-100.5	-21.4	176.7	65.2	0	0	0	0	114.6	V691 Y767 R785 E787	V691-S693 PolarHBondContact O-N 3.03Å; S693-Y767 PolarHBondContact O-OH 3.43Å; S693-R785 VanDerWaalsContact OG-CD 3.24Å; S693-R785 WeakPolarHBondContact OG-CD 3.25Å; S693-R785 PolarHBondContact OG-NH1 2.89Å; S693-E787 WeakPolarHBondContact CB-OE1 3.21Å; S693-E787 PolarHBondContact N-OE1 3.04Å; S693-E787 PolarHBondContact N-OE2 2.71Å; S693-E787 PolarHBondContact OG-OE1 3.44Å
694	T	98.2	Very high	97.4	Very high	14 Å²	14	19.2 Å²	19.2	9%	0.086	9%	0.089	C	C	.	.	S	Bend	trans	-122	157	-177.3	74.7	0	0	0	0	113.5	A696 Q697 V698	T694-A696 VanDerWaalsContact C-N 3.28Å; T694-A696 PolarHBondContact O-N 3.09Å; T694-Q697 WeakPolarHBondContact O-CB 3.17Å; T694-Q697 PolarHBondContact O-N 3.35Å; T694-Q697 VanDerWaalsContact OG1-CG 3.29Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.24Å; T694-Q697 PolarHBondContact OG1-N 3.17Å; T694-V698 PolarHBondContact O-N 3.07Å
695	P	97.3	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.1	-36.5	171.8	-29.1	39.1	0	0	0	113.9	W534 A537 Q697 V698 Y699 A728	W534-P695 HydrophobicContact CE3-CG 4.38Å; A537-P695 HydrophobicContact CB-CB 3.56Å; A537-P695 WeakPolarHBondContact CB-O 3.37Å; P695-Q697 VanDerWaalsContact C-N 3.32Å; P695-Q697 PolarHBondContact O-N 3.2Å; P695-V698 WeakPolarHBondContact O-CG1 3.5Å; P695-Y699 WeakPolarHBondContact O-CB 3.4Å; P695-Y699 PolarHBondContact O-N 2.91Å; P695-Y699 VanDerWaalsContact O-N 3.1Å; P695-A728 WeakPolarHBondContact CD-O 3.48Å; P695-A728 WeakPolarHBondContact CG-O 3.27Å
696	A	96	Very high	97.3	Very high	6 Å²	6	8.7 Å²	8.7	5%	0.05	4%	0.04	C	C	.	.	H	α-helix	trans	-62.6	-38.1	173.1	0	0	0	0	0	112.9	T694 Y699 H700 S730 E734 L735	T694-A696 VanDerWaalsContact C-N 3.28Å; T694-A696 PolarHBondContact O-N 3.09Å; A696-Y699 PolarHBondContact O-N 2.99Å; A696-H700 PolarHBondContact O-CD2 3.08Å; A696-H700 PolarHBondContact O-N 3.35Å; A696-S730 WeakPolarHBondContact CB-OG 3.45Å; A696-S730 PolarHBondContact N-OG 2.89Å; A696-S730 VanDerWaalsContact N-OG 3.08Å; A696-E734 HydrophobicContact CB-CB 3.95Å; A696-L735 VanDerWaalsContact CA-CD2 3.45Å; A696-L735 HydrophobicContact CB-CD2 3.72Å
697	Q	98.2	Very high	96.9	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-66.4	-43.1	179.7	-75.8	-78.8	101.8	0	0	112.3	P692 T694 P695 M701 L741 I744 E787	P692-Q697 HydrophobicContact CB-CB 3.87Å; T694-Q697 WeakPolarHBondContact O-CB 3.17Å; T694-Q697 PolarHBondContact O-N 3.35Å; T694-Q697 VanDerWaalsContact OG1-CG 3.29Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.24Å; T694-Q697 PolarHBondContact OG1-N 3.17Å; P695-Q697 VanDerWaalsContact C-N 3.32Å; P695-Q697 PolarHBondContact O-N 3.2Å; Q697-M701 WeakPolarHBondContact O-CB 3.44Å; Q697-M701 PolarHBondContact O-N 3.05Å; Q697-L741 PolarHBondContact NE2-O 3.32Å; Q697-I744 HydrophobicContact CG-CD1 3.99Å; Q697-E787 VanDerWaalsContact CG-OE2 3.26Å; Q697-E787 WeakPolarHBondContact CG-OE2 3.48Å; Q697-E787 VanDerWaalsContact NE2-CB 3.27Å; Q697-E787 PolarHBondContact NE2-OE2 2.95Å
698	V	97.8	Very high	96.4	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-39.8	173.9	60.7	0	0	0	0	111.9	W534 T694 P695 M701 L702	W534-V698 HydrophobicContact CD2-CG1 3.97Å; W534-V698 HydrophobicContact CE3-CG1 4.45Å; W534-V698 HydrophobicContact CG-CG1 4.42Å; W534-V698 HydrophobicContact CH2-CB 4.18Å; W534-V698 HydrophobicContact CH2-CG1 4.25Å; W534-V698 HydrophobicContact CZ2-CB 3.59Å; W534-V698 HydrophobicContact CZ2-CG1 3.74Å; W534-V698 HydrophobicContact CZ2-CG2 4.03Å; T694-V698 PolarHBondContact O-N 3.07Å; P695-V698 WeakPolarHBondContact O-CG1 3.5Å; V698-M701 HydrophobicContact CG2-CE 4.12Å; V698-M701 PolarHBondContact O-N 2.69Å; V698-L702 HydrophobicContact CG2-CD1 3.82Å; V698-L702 HydrophobicContact CG2-CG 4.25Å; V698-L702 WeakPolarHBondContact O-CB 3.47Å; V698-L702 VanDerWaalsContact O-CG 3.28Å; V698-L702 WeakPolarHBondContact O-CG 3.47Å; V698-L702 PolarHBondContact O-N 3.41Å
699	Y	96.7	Very high	95.8	Very high	18 Å²	18	18.6 Å²	18.6	7%	0.071	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-53.5	176.7	165.6	-87.6	0	0	0	112.1	L540 A541 T544 P695 A696 M701 L702 R703 L735	L540-Y699 HydrophobicContact CB-CD2 4.41Å; L540-Y699 HydrophobicContact CB-CE2 4.4Å; L540-Y699 HydrophobicContact CD2-CE2 4.23Å; L540-Y699 HydrophobicContact CG-CE2 4.07Å; A541-Y699 HydrophobicContact CB-CD2 3.65Å; A541-Y699 HydrophobicContact CB-CE2 4.39Å; A541-Y699 HydrophobicContact CB-CG 4.21Å; T544-Y699 HydrophobicContact CG2-CE2 4.43Å; P695-Y699 WeakPolarHBondContact O-CB 3.4Å; P695-Y699 PolarHBondContact O-N 2.91Å; P695-Y699 VanDerWaalsContact O-N 3.1Å; A696-Y699 PolarHBondContact O-N 2.99Å; Y699-M701 PolarHBondContact O-N 2.71Å; Y699-L702 PolarHBondContact O-N 3.28Å; Y699-R703 PolarHBondContact O-N 2.88Å; Y699-L735 HydrophobicContact CD1-CB 4.25Å; Y699-L735 HydrophobicContact CD1-CD2 3.88Å; Y699-L735 HydrophobicContact CD2-CD2 4.49Å; Y699-L735 HydrophobicContact CE1-CB 4.02Å; Y699-L735 WeakPolarHBondContact CE1-O 3.29Å; Y699-L735 HydrophobicContact CG-CD2 3.88Å; Y699-L735 PolarHBondContact OH-O 3.07Å
700	H	96.7	Very high	95.4	Very high	19 Å²	19	21.2 Å²	21.2	9%	0.088	12%	0.119	C	C	.	.	H	α-helix	trans	-68.3	-35.1	-179.6	-72.8	-58.4	0	0	0	112.4	A696 R704 E734 G738 T739 F740	A696-H700 PolarHBondContact O-CD2 3.08Å; A696-H700 PolarHBondContact O-N 3.35Å; H700-R704 WeakPolarHBondContact O-CB 3.3Å; H700-R704 PolarHBondContact O-N 3.32Å; H700-E734 PolarHBondContact NE2-O 2.9Å; H700-G738 PolarHBondContact CE1-O 2.92Å; H700-G738 VanDerWaalsContact NE2-C 3.33Å; H700-T739 VanDerWaalsContact CD2-C 3.49Å; H700-T739 PolarHBondContact CD2-O 3.24Å; H700-T739 VanDerWaalsContact CG-C 3.5Å; H700-T739 PolarHBondContact NE2-N 2.85Å; H700-F740 HydrophobicContact CB-CB 3.79Å
701	M	97.6	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-43.5	176.9	-178.8	-167.9	67.5	0	0	112.1	C690 P692 Q697 V698 Y699 Q705 L714 V716 F740	C690-M701 HydrophobicContact CB-SD 3.57Å; C690-M701 VanDerWaalsContact CB-SD 3.57Å; P692-M701 HydrophobicContact CG-CE 4.27Å; P692-M701 HydrophobicContact CG-SD 4.33Å; Q697-M701 WeakPolarHBondContact O-CB 3.44Å; Q697-M701 PolarHBondContact O-N 3.05Å; V698-M701 HydrophobicContact CG2-CE 4.12Å; V698-M701 PolarHBondContact O-N 2.69Å; Y699-M701 PolarHBondContact O-N 2.71Å; M701-Q705 PolarHBondContact O-N 2.33Å; M701-L714 HydrophobicContact CE-CD2 4.26Å; M701-L714 HydrophobicContact CG-CD1 4.26Å; M701-L714 HydrophobicContact CG-CD2 3.69Å; M701-L714 HydrophobicContact SD-CD1 4.2Å; M701-L714 HydrophobicContact SD-CD2 4.04Å; M701-L714 HydrophobicContact SD-CG 4.48Å; M701-V716 HydrophobicContact CE-CB 4.24Å; M701-V716 HydrophobicContact CE-CG1 3.68Å; M701-V716 HydrophobicContact CE-CG2 3.47Å; M701-V716 VanDerWaalsContact CE-CG2 3.47Å; M701-V716 HydrophobicContact SD-CG1 4.27Å; M701-V716 HydrophobicContact SD-CG2 3.88Å; M701-F740 HydrophobicContact CB-CD2 3.67Å; M701-F740 HydrophobicContact CB-CE2 3.81Å; M701-F740 HydrophobicContact CG-CD2 4.37Å; M701-F740 HydrophobicContact CG-CE2 4.12Å
702	L	97.4	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-47.6	175.8	-70.8	169.3	0	0	0	110.9	E538 A541 Y542 L620 I622 V656 V698 Y699 R704 Q705 A706	E538-L702 HydrophobicContact CG-CD1 4.25Å; A541-L702 HydrophobicContact CB-CB 4.11Å; A541-L702 HydrophobicContact CB-CD1 4.09Å; Y542-L702 HydrophobicContact CE1-CD1 3.83Å; L620-L702 HydrophobicContact CD2-CB 4.35Å; L620-L702 HydrophobicContact CD2-CD2 4.28Å; I622-L702 HydrophobicContact CD1-CD2 4.05Å; V656-L702 HydrophobicContact CG1-CD2 4.38Å; V698-L702 HydrophobicContact CG2-CD1 3.82Å; V698-L702 HydrophobicContact CG2-CG 4.25Å; V698-L702 WeakPolarHBondContact O-CB 3.47Å; V698-L702 VanDerWaalsContact O-CG 3.28Å; V698-L702 WeakPolarHBondContact O-CG 3.47Å; V698-L702 PolarHBondContact O-N 3.41Å; Y699-L702 PolarHBondContact O-N 3.28Å; L702-R704 VanDerWaalsContact C-N 3.35Å; L702-R704 PolarHBondContact O-N 3.06Å; L702-Q705 PolarHBondContact O-N 2.87Å; L702-Q705 VanDerWaalsContact O-N 3.16Å; L702-A706 PolarHBondContact O-N 2.86Å
703	R	93.7	Very high	95.2	Very high	44 Å²	44	25 Å²	25	17%	0.166	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-47.5	174.5	-77.7	-174.9	64.1	66.4	0.8	111.9	T544 L545 E548 Y699 Q705 A706 L707	T544-R703 PolarHBondContact O-NH1 3.27Å; T544-R703 WeakPolarHBondContact OG1-CD 3.42Å; T544-R703 PolarHBondContact OG1-NH1 2.76Å; L545-R703 HydrophobicContact CD2-CB 4.44Å; L545-R703 HydrophobicContact CD2-CG 4.2Å; L545-R703 HydrophobicContact CG-CG 4.08Å; E548-R703 IonicContact OE1-CZ 2.72Å; E548-R703 IonicContact OE1-NH1 3.9Å; E548-R703 PolarHBondContact OE1-NH1 3.26Å; E548-R703 IonicContact OE1-NH2 1.82Å; E548-R703 PolarHBondContact OE1-NH2 3.27Å; E548-R703 IonicContact OE2-NH2 3.08Å; Y699-R703 PolarHBondContact O-N 2.88Å; R703-Q705 VanDerWaalsContact C-N 3.31Å; R703-Q705 PolarHBondContact O-N 3.43Å; R703-A706 PolarHBondContact O-N 2.93Å; R703-L707 HydrophobicContact CB-CD1 4.17Å; R703-L707 WeakPolarHBondContact O-CB 3.44Å; R703-L707 WeakPolarHBondContact O-CG 3.18Å; R703-L707 PolarHBondContact O-N 3.46Å
704	R	96.1	Very high	95.2	Very high	46 Å²	46	25 Å²	25	17%	0.174	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-41.9	175.7	180	-174.7	75.4	153.8	2.1	112.3	H700 L702 A706 R708 F740	H700-R704 WeakPolarHBondContact O-CB 3.3Å; H700-R704 PolarHBondContact O-N 3.32Å; L702-R704 VanDerWaalsContact C-N 3.35Å; L702-R704 PolarHBondContact O-N 3.06Å; R704-A706 PolarHBondContact O-N 2.87Å; R704-R708 WeakPolarHBondContact O-CB 3.39Å; R704-R708 PolarHBondContact O-N 3.41Å; R704-R708 VanDerWaalsContact O-N 3.15Å; R704-F740 VanDerWaalsContact NH1-CD1 3.26Å; R704-F740 VanDerWaalsContact NH1-CE1 3.26Å
705	Q	97	Very high	95.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-38	-177.9	-176.9	67.6	-4.7	0	0	112.6	L620 G654 V656 M701 L702 R703 R711 R712 L714	L620-Q705 HydrophobicContact CD1-CB 4.15Å; L620-Q705 HydrophobicContact CD1-CG 3.85Å; G654-Q705 PolarHBondContact O-NE2 3.24Å; V656-Q705 HydrophobicContact CG2-CG 3.83Å; M701-Q705 PolarHBondContact O-N 2.33Å; L702-Q705 PolarHBondContact O-N 2.87Å; L702-Q705 VanDerWaalsContact O-N 3.16Å; R703-Q705 VanDerWaalsContact C-N 3.31Å; R703-Q705 PolarHBondContact O-N 3.43Å; Q705-R711 PolarHBondContact O-NH1 2.81Å; Q705-R711 VanDerWaalsContact O-NH1 3.11Å; Q705-R712 PolarHBondContact NE2-O 2.89Å; Q705-L714 HydrophobicContact CB-CD2 4.05Å; Q705-L714 HydrophobicContact CG-CB 4.41Å; Q705-L714 HydrophobicContact CG-CD2 4.2Å
706	A	92.9	Very high	95.3	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-83	-41	-179.8	0	0	0	0	0	113.6	L545 I550 L620 L702 R703 R704 R711	L545-A706 HydrophobicContact CD1-CB 3.59Å; L545-A706 HydrophobicContact CD2-CB 3.57Å; L545-A706 HydrophobicContact CG-CB 4.19Å; I550-A706 HydrophobicContact CD1-CB 4.42Å; I550-A706 HydrophobicContact CG2-CB 3.84Å; L620-A706 HydrophobicContact CB-CB 4.08Å; L620-A706 HydrophobicContact CD1-CB 4.29Å; L620-A706 HydrophobicContact CD2-CB 4.39Å; L620-A706 HydrophobicContact CG-CB 4.47Å; L702-A706 PolarHBondContact O-N 2.86Å; R703-A706 PolarHBondContact O-N 2.93Å; R704-A706 PolarHBondContact O-N 2.87Å; A706-R711 PolarHBondContact O-NH1 2.86Å; A706-R711 PolarHBondContact O-NH2 3.49Å
707	L	90.3	Very high	95.4	Very high	69 Å²	69	24.4 Å²	24.4	36%	0.361	13%	0.128	S	C	.	.	H	α-helix	trans	-82.9	-36.3	-173	-65.8	167.4	0	0	0	113.6	L545 E548 I550 R703 G709	L545-L707 HydrophobicContact CD2-CD1 3.99Å; L545-L707 HydrophobicContact CD2-CD2 4.14Å; L545-L707 HydrophobicContact CD2-CG 3.71Å; E548-L707 HydrophobicContact CB-CD2 4.25Å; E548-L707 WeakPolarHBondContact OE2-CD2 3.36Å; I550-L707 HydrophobicContact CD1-CD2 3.46Å; I550-L707 VanDerWaalsContact CD1-CD2 3.46Å; I550-L707 HydrophobicContact CD1-CG 4.3Å; R703-L707 HydrophobicContact CB-CD1 4.17Å; R703-L707 WeakPolarHBondContact O-CB 3.44Å; R703-L707 WeakPolarHBondContact O-CG 3.18Å; R703-L707 PolarHBondContact O-N 3.46Å; L707-G709 PolarHBondContact O-N 2.94Å
708	R	87.7	Confident	95.4	Very high	71 Å²	71	24.6 Å²	24.6	27%	0.268	13%	0.13	S	C	.	.	S	Bend	trans	-69.9	125.4	176.3	-179	-168.4	56.6	-166.4	-10.3	109.1	R704 M710 R711	R704-R708 WeakPolarHBondContact O-CB 3.39Å; R704-R708 PolarHBondContact O-N 3.41Å; R704-R708 VanDerWaalsContact O-N 3.15Å; R708-M710 HydrophobicContact CG-CB 4.16Å; R708-M710 PolarHBondContact O-N 3.3Å; R708-R711 PolarHBondContact O-NH1 2.85Å
709	G	86.6	Confident	95.4	Very high	81 Å²	81	25 Å²	25	84%	0.835	13%	0.133	S	C	*	.	S	Bend	trans	-61.7	5.5	180	0	0	0	0	0	117.1	L707	L707-G709 PolarHBondContact O-N 2.94Å
710	M	90.1	Very high	95.4	Very high	55 Å²	55	24.7 Å²	24.7	27%	0.271	13%	0.132	S	C	.	.			trans	-92.6	112.9	172.8	-175.4	-176.2	94.4	0	0	110	Q688 R708 R712	Q688-M710 HydrophobicContact CG-CE 4.37Å; R708-M710 HydrophobicContact CG-CB 4.16Å; R708-M710 PolarHBondContact O-N 3.3Å; M710-R712 HydrophobicContact CE-CB 4.12Å; M710-R712 HydrophobicContact CE-CG 4.33Å; M710-R712 HydrophobicContact CG-CG 4.05Å; M710-R712 HydrophobicContact SD-CG 4.5Å
711	R	94.4	Very high	95.4	Very high	39 Å²	39	25.6 Å²	25.6	15%	0.147	14%	0.14	C	C	.	.			trans	-100.1	81.5	176.6	-66	-58.5	-169.1	-108.8	4.9	111	P617 M652 C653 Q705 A706 R708	P617-R711 HydrophobicContact CB-CG 4.31Å; P617-R711 PolarHBondContact O-NE 2.85Å; P617-R711 PolarHBondContact O-NH2 3.46Å; M652-R711 CarbonylContact C-O 3.52Å; M652-R711 HydrophobicContact CB-CB 4.15Å; M652-R711 WeakPolarHBondContact CB-O 3.39Å; C653-R711 CarbonylContact C-O 3.22Å; C653-R711 PolarHBondContact N-O 3.02Å; C653-R711 CarbonylContact O-C 3.57Å; C653-R711 VanDerWaalsContact O-O 3.06Å; Q705-R711 PolarHBondContact O-NH1 2.81Å; Q705-R711 VanDerWaalsContact O-NH1 3.11Å; A706-R711 PolarHBondContact O-NH1 2.86Å; A706-R711 PolarHBondContact O-NH2 3.49Å; R708-R711 PolarHBondContact O-NH1 2.85Å
712	R	97.3	Very high	95.4	Very high	47 Å²	47	25.7 Å²	25.7	18%	0.177	14%	0.141	C	C	.	.			trans	-120.4	147	171	-69.9	-171.6	176.6	153.5	-1.6	110	E646 M652 C653 Q685 Q688 Q705 M710	E646-R712 VanDerWaalsContact CD-NE 3.3Å; E646-R712 IonicContact OE1-CZ 2.61Å; E646-R712 VanDerWaalsContact OE1-CZ 3.29Å; E646-R712 IonicContact OE1-NE 3.99Å; E646-R712 PolarHBondContact OE1-NE 2.85Å; E646-R712 VanDerWaalsContact OE1-NE 3.08Å; E646-R712 IonicContact OE1-NH2 3.49Å; E646-R712 PolarHBondContact OE1-NH2 3.45Å; E646-R712 WeakPolarHBondContact OE2-CD 3.38Å; E646-R712 WeakPolarHBondContact OE2-CG 3.44Å; E646-R712 IonicContact OE2-CZ 3.84Å; E646-R712 IonicContact OE2-NE 3.99Å; E646-R712 PolarHBondContact OE2-NE 2.83Å; E646-R712 IonicContact OE2-NH2 3.21Å; M652-R712 HydrophobicContact CE-CG 3.8Å; C653-R712 CarbonylContact O-C 3.55Å; C653-R712 WeakPolarHBondContact O-CA 3.48Å; C653-R712 PolarHBondContact O-N 2.72Å; Q685-R712 WeakPolarHBondContact O-CD 3.4Å; Q685-R712 PolarHBondContact O-NE 3.17Å; Q685-R712 PolarHBondContact O-NH1 3.21Å; Q688-R712 PolarHBondContact NE2-O 2.54Å; Q688-R712 VanDerWaalsContact NE2-O 3.09Å; Q705-R712 PolarHBondContact NE2-O 2.89Å; M710-R712 HydrophobicContact CE-CB 4.12Å; M710-R712 HydrophobicContact CE-CG 4.33Å; M710-R712 HydrophobicContact CG-CG 4.05Å; M710-R712 HydrophobicContact SD-CG 4.5Å
713	P	98.5	Very high	95.3	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.039	14%	0.143	C	C	.	.			trans	-57.2	151.5	-176	-27.9	36.8	0	0	0	113.4	I642 C653 L655 M687 Q688	I642-P713 HydrophobicContact CG2-CB 3.55Å; I642-P713 HydrophobicContact CG2-CG 3.56Å; C653-P713 HydrophobicContact CB-CG 4.36Å; C653-P713 WeakPolarHBondContact O-CD 3.31Å; C653-P713 VanDerWaalsContact O-N 3.16Å; L655-P713 WeakPolarHBondContact O-CA 3.5Å; M687-P713 HydrophobicContact CG-CB 4.36Å; Q688-P713 PolarHBondContact N-O 3.22Å; Q688-P713 PolarHBondContact NE2-O 2.94Å
714	L	98.7	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.7	178.1	175.3	66.4	0	0	0	109.2	L655 V656 M657 Q688 C690 M701 Q705 V716	L655-L714 PolarHBondContact O-N 3.47Å; V656-L714 CarbonylContact C-O 3.6Å; V656-L714 WeakPolarHBondContact CA-O 3.31Å; V656-L714 HydrophobicContact CG1-CD2 4.21Å; V656-L714 HydrophobicContact CG1-CG 4.43Å; V656-L714 HydrophobicContact CG2-CB 4.34Å; V656-L714 HydrophobicContact CG2-CD2 4.14Å; M657-L714 PolarHBondContact N-O 2.9Å; Q688-L714 HydrophobicContact CB-CD1 3.7Å; C690-L714 HydrophobicContact CB-CD1 4.17Å; M701-L714 HydrophobicContact CE-CD2 4.26Å; M701-L714 HydrophobicContact CG-CD1 4.26Å; M701-L714 HydrophobicContact CG-CD2 3.69Å; M701-L714 HydrophobicContact SD-CD1 4.2Å; M701-L714 HydrophobicContact SD-CD2 4.04Å; M701-L714 HydrophobicContact SD-CG 4.48Å; Q705-L714 HydrophobicContact CB-CD2 4.05Å; Q705-L714 HydrophobicContact CG-CB 4.41Å; Q705-L714 HydrophobicContact CG-CD2 4.2Å; L714-V716 HydrophobicContact CD1-CG2 4.4Å; L714-V716 HydrophobicContact CD2-CG2 4.08Å; L714-V716 HydrophobicContact CG-CG2 3.78Å
715	V	98.8	Very high	95.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.3	172.4	-174.4	0	0	0	0	108.1	M657 L659 Y678 M687 Q688 V689 C690 M717	M657-V715 HydrophobicContact SD-CG2 4.49Å; L659-V715 HydrophobicContact CD1-CG1 3.67Å; Y678-V715 HydrophobicContact CD1-CB 4.43Å; Y678-V715 HydrophobicContact CD1-CG1 3.87Å; Y678-V715 HydrophobicContact CD1-CG2 3.8Å; Y678-V715 HydrophobicContact CD2-CG1 3.96Å; Y678-V715 HydrophobicContact CE1-CG1 4.1Å; Y678-V715 HydrophobicContact CE1-CG2 4.19Å; Y678-V715 HydrophobicContact CE2-CG1 4.18Å; Y678-V715 HydrophobicContact CG-CG1 3.8Å; Y678-V715 HydrophobicContact CG-CG2 4.37Å; M687-V715 HydrophobicContact SD-CG2 4.42Å; Q688-V715 PolarHBondContact O-N 2.99Å; V689-V715 WeakPolarHBondContact CA-O 3.05Å; V689-V715 HydrophobicContact CG2-CB 4.37Å; C690-V715 PolarHBondContact N-O 2.9Å; V715-M717 HydrophobicContact CG1-CE 3.76Å
716	V	98.7	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.8	-177	-174.4	0	0	0	0	109	V656 M657 L658 L659 C690 P692 M701 L714 S718	V656-V716 HydrophobicContact CG1-CG2 3.84Å; M657-V716 WeakPolarHBondContact O-CB 3.28Å; M657-V716 PolarHBondContact O-N 3.02Å; L658-V716 HydrophobicContact CD2-CB 3.85Å; L658-V716 HydrophobicContact CD2-CG1 4.02Å; L658-V716 HydrophobicContact CD2-CG2 3.97Å; L659-V716 WeakPolarHBondContact CB-O 3.39Å; L659-V716 PolarHBondContact N-O 2.74Å; C690-V716 WeakPolarHBondContact O-CA 3.39Å; P692-V716 HydrophobicContact CG-CG1 3.9Å; M701-V716 HydrophobicContact CE-CB 4.24Å; M701-V716 HydrophobicContact CE-CG1 3.68Å; M701-V716 HydrophobicContact CE-CG2 3.47Å; M701-V716 VanDerWaalsContact CE-CG2 3.47Å; M701-V716 HydrophobicContact SD-CG1 4.27Å; M701-V716 HydrophobicContact SD-CG2 3.88Å; L714-V716 HydrophobicContact CD1-CG2 4.4Å; L714-V716 HydrophobicContact CD2-CG2 4.08Å; L714-V716 HydrophobicContact CG-CG2 3.78Å; V716-S718 VanDerWaalsContact C-N 3.31Å; V716-S718 PolarHBondContact O-N 3.16Å
717	M	98.7	Very high	95.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	89.4	162.2	-58.9	-62	99.7	0	0	107.6	L659 H661 A673 L675 Y678 C690 V691 V715	L659-M717 HydrophobicContact CB-CE 4.13Å; L659-M717 HydrophobicContact CD1-CE 3.86Å; H661-M717 HydrophobicContact CB-CB 3.96Å; H661-M717 HydrophobicContact CB-CG 4.48Å; H661-M717 HydrophobicContact CB-SD 4.04Å; H661-M717 PolarHBondContact ND1-SD 2.95Å; H661-M717 VanDerWaalsContact ND1-SD 3.44Å; A673-M717 HydrophobicContact CB-CE 3.87Å; A673-M717 HydrophobicContact CB-SD 3.69Å; L675-M717 HydrophobicContact CB-SD 4.03Å; L675-M717 HydrophobicContact CD1-CE 4.42Å; L675-M717 HydrophobicContact CD1-CG 4.03Å; L675-M717 HydrophobicContact CD1-SD 4.1Å; Y678-M717 HydrophobicContact CD2-CE 4.35Å; C690-M717 PolarHBondContact O-N 3.42Å; V691-M717 HydrophobicContact CB-CB 4.23Å; V691-M717 HydrophobicContact CB-CG 4.46Å; V691-M717 HydrophobicContact CG1-CB 3.89Å; V691-M717 HydrophobicContact CG1-CG 4.35Å; V691-M717 HydrophobicContact CG2-CB 4.02Å; V691-M717 HydrophobicContact CG2-CG 3.71Å; V715-M717 HydrophobicContact CG1-CE 3.76Å
718	S	97.7	Very high	95.7	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143.7	177.8	50.5	0	0	0	0	109.8	L659 P660 H661 V716	L659-S718 PolarHBondContact N-OG 2.79Å; L659-S718 PolarHBondContact O-N 2.85Å; L659-S718 PolarHBondContact O-OG 2.9Å; P660-S718 CarbonylContact C-O 3.56Å; P660-S718 VanDerWaalsContact CA-O 3.29Å; P660-S718 WeakPolarHBondContact CA-O 3.39Å; P660-S718 WeakPolarHBondContact CA-OG 3.4Å; H661-S718 PolarHBondContact N-O 2.86Å; V716-S718 VanDerWaalsContact C-N 3.31Å; V716-S718 PolarHBondContact O-N 3.16Å
719	P	97.3	Very high	96.2	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.065	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	164.7	-175.9	34.3	-36.6	0	0	0	112.5	W534 L722 L723	W534-P719 HydrophobicContact CD2-CG 3.84Å; W534-P719 HydrophobicContact CE3-CG 3.81Å; W534-P719 HydrophobicContact CH2-CG 3.62Å; W534-P719 HydrophobicContact CZ2-CG 3.64Å; W534-P719 HydrophobicContact CZ3-CG 3.7Å; P719-L722 HydrophobicContact CB-CB 3.58Å; P719-L722 HydrophobicContact CB-CD1 3.88Å; P719-L722 HydrophobicContact CB-CG 3.72Å; P719-L722 HydrophobicContact CG-CB 3.81Å; P719-L722 HydrophobicContact CG-CD1 4.36Å; P719-L722 HydrophobicContact CG-CG 4.39Å; P719-L723 HydrophobicContact CG-CD2 4.06Å; P719-L723 WeakPolarHBondContact O-CD1 3.17Å; P719-L723 WeakPolarHBondContact O-CG 3.28Å
720	K	97.7	Very high	96.6	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-110.9	-58.9	172.3	-61.4	169.9	-61.4	-156.7	0	110.9	F564 F627 P660 G662 E664 H670 L723	F564-K720 HydrophobicContact CD1-CG 4.4Å; F564-K720 HydrophobicContact CE1-CB 4.39Å; F564-K720 HydrophobicContact CE1-CD 4.06Å; F564-K720 HydrophobicContact CE1-CG 3.87Å; F564-K720 HydrophobicContact CE2-CG 4.05Å; F564-K720 HydrophobicContact CZ-CD 3.97Å; F564-K720 HydrophobicContact CZ-CG 3.69Å; F627-K720 HydrophobicContact CD1-CD 4.05Å; F627-K720 HydrophobicContact CE1-CD 3.93Å; P660-K720 HydrophobicContact CB-CD 4.17Å; P660-K720 HydrophobicContact CB-CG 3.94Å; G662-K720 WeakPolarHBondContact O-CE 3.46Å; G662-K720 PolarHBondContact O-NZ 2.86Å; E664-K720 WeakPolarHBondContact OE1-CB 3.39Å; E664-K720 WeakPolarHBondContact OE2-CB 3.35Å; E664-K720 WeakPolarHBondContact OE2-CE 3.21Å; H670-K720 PolarHBondContact O-NZ 3.31Å; K720-L723 WeakPolarHBondContact O-CB 3.13Å; K720-L723 WeakPolarHBondContact O-CD1 3.32Å; K720-L723 VanDerWaalsContact O-CG 3.31Å; K720-L723 WeakPolarHBondContact O-CG 3.36Å
721	S	96.2	Very high	96.6	Very high	38 Å²	38	28.8 Å²	28.8	27%	0.266	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-64.1	-41.5	174.2	43.9	0	0	0	0	114.2	E664 L723 R724 H725	E664-S721 WeakPolarHBondContact OE1-CB 3.28Å; E664-S721 PolarHBondContact OE1-N 3.09Å; E664-S721 PolarHBondContact OE1-OG 3Å; S721-L723 PolarHBondContact O-N 3.46Å; S721-L723 VanDerWaalsContact O-N 3.09Å; S721-R724 PolarHBondContact O-N 3.43Å; S721-H725 PolarHBondContact O-N 3.04Å
722	L	97.2	Very high	96.2	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-62.7	-20.6	-177.5	-50.8	-175	0	0	0	113.4	P719 R724 H725 A728 K764 Y767	P719-L722 HydrophobicContact CB-CB 3.58Å; P719-L722 HydrophobicContact CB-CD1 3.88Å; P719-L722 HydrophobicContact CB-CG 3.72Å; P719-L722 HydrophobicContact CG-CB 3.81Å; P719-L722 HydrophobicContact CG-CD1 4.36Å; P719-L722 HydrophobicContact CG-CG 4.39Å; L722-R724 PolarHBondContact O-N 3.01Å; L722-H725 HydrophobicContact CD2-CB 4.18Å; L722-H725 PolarHBondContact O-N 2.83Å; L722-A728 HydrophobicContact CB-CB 3.85Å; L722-A728 HydrophobicContact CD2-CB 4.23Å; L722-K764 HydrophobicContact CD1-CB 4.08Å; L722-K764 HydrophobicContact CD2-CB 3.85Å; L722-K764 HydrophobicContact CG-CB 3.95Å; L722-Y767 HydrophobicContact CD1-CD2 4.31Å; L722-Y767 HydrophobicContact CD1-CE2 4.12Å; L722-Y767 HydrophobicContact CD2-CD2 3.53Å; L722-Y767 HydrophobicContact CD2-CE2 3.92Å; L722-Y767 HydrophobicContact CD2-CG 4.36Å
723	L	96.7	Very high	95.6	Very high	10 Å²	10	34 Å²	34	5%	0.052	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-58.6	-14.4	173.8	-54	177.4	0	0	0	113.6	W534 F564 H566 P719 K720 S721	W534-L723 HydrophobicContact CB-CD2 3.74Å; W534-L723 VanDerWaalsContact CD1-CD2 3.45Å; W534-L723 HydrophobicContact CD2-CD2 4.09Å; W534-L723 HydrophobicContact CG-CD2 3.46Å; W534-L723 VanDerWaalsContact CG-CD2 3.46Å; F564-L723 HydrophobicContact CB-CD1 3.58Å; F564-L723 HydrophobicContact CD2-CD1 3.74Å; F564-L723 HydrophobicContact CG-CD1 3.87Å; H566-L723 HydrophobicContact CB-CB 4.32Å; H566-L723 HydrophobicContact CB-CD1 4.18Å; P719-L723 HydrophobicContact CG-CD2 4.06Å; P719-L723 WeakPolarHBondContact O-CD1 3.17Å; P719-L723 WeakPolarHBondContact O-CG 3.28Å; K720-L723 WeakPolarHBondContact O-CB 3.13Å; K720-L723 WeakPolarHBondContact O-CD1 3.32Å; K720-L723 VanDerWaalsContact O-CG 3.31Å; K720-L723 WeakPolarHBondContact O-CG 3.36Å; S721-L723 PolarHBondContact O-N 3.46Å; S721-L723 VanDerWaalsContact O-N 3.09Å
724	R	94.5	Very high	95.2	Very high	147 Å²	147	37.7 Å²	37.7	56%	0.555	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-137	6.8	-179.5	-55	-177.8	-176.8	-72.6	-6.5	113.4	F564 F565 S721 L722	F564-R724 PolarHBondContact O-NH2 3.24Å; F565-R724 PolarHBondContact O-NH2 3.28Å; S721-R724 PolarHBondContact O-N 3.43Å; L722-R724 PolarHBondContact O-N 3.01Å
725	H	95.6	Very high	94.6	Very high	41 Å²	41	37.8 Å²	37.8	19%	0.19	20%	0.196	C	C	.	.			trans	-80.7	130.5	-169.6	-166.8	-96.6	0	0	0	111.1	S721 L722 L727 A728 Y767 E771	S721-H725 PolarHBondContact O-N 3.04Å; L722-H725 HydrophobicContact CD2-CB 4.18Å; L722-H725 PolarHBondContact O-N 2.83Å; H725-L727 PolarHBondContact ND1-N 2.89Å; H725-L727 PolarHBondContact O-N 3.47Å; H725-L727 VanDerWaalsContact O-N 3.11Å; H725-A728 HydrophobicContact CB-CB 3.84Å; H725-A728 PolarHBondContact O-N 3.35Å; H725-Y767 AromaticContact ND1-CD1 3.96Å; H725-E771 IonicContact CE1-OE1 2.76Å; H725-E771 PolarHBondContact CE1-OE1 3.5Å; H725-E771 IonicContact NE2-OE1 2.71Å
726	P	95.3	Very high	93.7	Very high	98 Å²	98	41 Å²	41	64%	0.636	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	-171	26.2	-35.6	0	0	0	114
727	L	96.1	Very high	92.9	Very high	60 Å²	60	46.7 Å²	46.7	31%	0.314	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.9	175.1	-55.9	-178.5	0	0	0	113.7	H725 V729 Y767 L770 E771	H725-L727 PolarHBondContact ND1-N 2.89Å; H725-L727 PolarHBondContact O-N 3.47Å; H725-L727 VanDerWaalsContact O-N 3.11Å; L727-V729 VanDerWaalsContact C-N 3.31Å; L727-V729 PolarHBondContact O-N 3.27Å; L727-Y767 HydrophobicContact CB-CD1 3.64Å; L727-Y767 HydrophobicContact CB-CE1 3.53Å; L727-Y767 HydrophobicContact CD1-CD1 4.35Å; L727-Y767 WeakPolarHBondContact O-CE1 3.39Å; L727-Y767 PolarHBondContact O-OH 3.14Å; L727-Y767 VanDerWaalsContact O-OH 3.06Å; L727-L770 HydrophobicContact CD1-CD2 4.45Å; L727-E771 HydrophobicContact CD1-CG 3.89Å; L727-E771 WeakPolarHBondContact CD1-OE1 3.06Å
728	A	96.2	Very high	92.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	27%	0.269	C	S	.	.	S	Bend	trans	-96.4	59	177.4	0	0	0	0	0	110.7	P695 L722 H725 Y767	P695-A728 WeakPolarHBondContact CD-O 3.48Å; P695-A728 WeakPolarHBondContact CG-O 3.27Å; L722-A728 HydrophobicContact CB-CB 3.85Å; L722-A728 HydrophobicContact CD2-CB 4.23Å; H725-A728 HydrophobicContact CB-CB 3.84Å; H725-A728 PolarHBondContact O-N 3.35Å; A728-Y767 WeakPolarHBondContact CA-OH 3.49Å; A728-Y767 HydrophobicContact CB-CE2 4.13Å
729	V	96.8	Very high	92.3	Very high	46 Å²	46	52.2 Å²	52.2	28%	0.279	29%	0.293	S	S	.	.			trans	-128.8	156	-176.2	-67.2	0	0	0	0	110.4	L531 F532 L727	L531-V729 HydrophobicContact CB-CB 3.82Å; L531-V729 HydrophobicContact CB-CG2 4.04Å; L531-V729 HydrophobicContact CD1-CB 4.37Å; L531-V729 HydrophobicContact CD1-CG2 3.66Å; F532-V729 VanDerWaalsContact O-CA 3.26Å; F532-V729 WeakPolarHBondContact O-CA 3.48Å; L727-V729 VanDerWaalsContact C-N 3.31Å; L727-V729 PolarHBondContact O-N 3.27Å
730	S	95.1	Very high	92.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-136.1	150.4	177.2	-66.5	0	0	0	0	112.6	L531 F532 A696	L531-S730 CarbonylContact C-O 3.56Å; F532-S730 WeakPolarHBondContact CB-O 3.2Å; F532-S730 PolarHBondContact N-O 2.94Å; F532-S730 PolarHBondContact O-N 3.11Å; A696-S730 WeakPolarHBondContact CB-OG 3.45Å; A696-S730 PolarHBondContact N-OG 2.89Å; A696-S730 VanDerWaalsContact N-OG 3.08Å
731	S	91.3	Very high	92.3	Very high	32 Å²	32	55.7 Å²	55.7	22%	0.224	31%	0.311	C	S	.	.			trans	-76.9	158.3	173.8	64	0	0	0	0	112.2	E733 E734 L735	S731-E733 PolarHBondContact O-N 2.91Å; S731-E734 WeakPolarHBondContact CB-OE2 3.15Å; S731-E734 PolarHBondContact N-OE2 2.8Å; S731-E734 PolarHBondContact O-N 2.93Å; S731-E734 WeakPolarHBondContact OG-CG 3.33Å; S731-E734 PolarHBondContact OG-N 3.04Å; S731-E734 PolarHBondContact OG-OE2 3.27Å; S731-L735 PolarHBondContact O-N 3.09Å
732	L	86.5	Confident	92.4	Very high	79 Å²	79	55.7 Å²	55.7	41%	0.414	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-30.2	172	-178.2	60.1	0	0	0	112	F532 L735 A736	F532-L732 HydrophobicContact CE2-CB 4.28Å; F532-L732 HydrophobicContact CE2-CD1 4.01Å; L732-L735 PolarHBondContact O-N 3.44Å; L732-L735 VanDerWaalsContact O-N 3.12Å; L732-A736 WeakPolarHBondContact O-CB 3.2Å; L732-A736 PolarHBondContact O-N 2.98Å
733	E	84.1	Confident	92.4	Very high	118 Å²	118	55.9 Å²	55.9	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-62	-44.7	175.6	-176.5	61	-160.5	0	0	111.6	S731 L735 A736 N737 G738	S731-E733 PolarHBondContact O-N 2.91Å; E733-L735 PolarHBondContact O-N 3.08Å; E733-A736 PolarHBondContact O-N 3.43Å; E733-N737 VanDerWaalsContact CD-ND2 3.3Å; E733-N737 PolarHBondContact O-N 3.39Å; E733-N737 WeakPolarHBondContact OE1-CB 3.28Å; E733-N737 PolarHBondContact OE1-ND2 3.45Å; E733-N737 PolarHBondContact OE2-ND2 3.08Å; E733-G738 PolarHBondContact O-N 2.89Å
734	E	89	Confident	92.5	Very high	83 Å²	83	56.4 Å²	56.4	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-27.6	173.4	-74.5	162.8	94.3	0	0	112.8	A696 H700 S731 G738	A696-E734 HydrophobicContact CB-CB 3.95Å; H700-E734 PolarHBondContact NE2-O 2.9Å; S731-E734 WeakPolarHBondContact CB-OE2 3.15Å; S731-E734 PolarHBondContact N-OE2 2.8Å; S731-E734 PolarHBondContact O-N 2.93Å; S731-E734 WeakPolarHBondContact OG-CG 3.33Å; S731-E734 PolarHBondContact OG-N 3.04Å; S731-E734 PolarHBondContact OG-OE2 3.27Å; E734-G738 VanDerWaalsContact O-CA 3.31Å; E734-G738 WeakPolarHBondContact O-CA 3.36Å; E734-G738 PolarHBondContact O-N 3.2Å
735	L	87.4	Confident	92.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-84.4	-34.1	176.5	-53.2	-174.3	0	0	0	112.7	F532 A537 L540 A696 Y699 S731 L732 E733	F532-L735 HydrophobicContact CB-CD1 4.33Å; F532-L735 HydrophobicContact CD1-CD1 4.18Å; F532-L735 HydrophobicContact CD2-CD1 3.73Å; F532-L735 HydrophobicContact CE1-CD1 4.45Å; F532-L735 HydrophobicContact CE2-CD1 4.04Å; F532-L735 HydrophobicContact CG-CD1 3.81Å; F532-L735 HydrophobicContact CZ-CD1 4.39Å; A537-L735 HydrophobicContact CB-CD1 4.35Å; A537-L735 HydrophobicContact CB-CD2 4.46Å; L540-L735 HydrophobicContact CD2-CD1 3.77Å; A696-L735 VanDerWaalsContact CA-CD2 3.45Å; A696-L735 HydrophobicContact CB-CD2 3.72Å; Y699-L735 HydrophobicContact CD1-CB 4.25Å; Y699-L735 HydrophobicContact CD1-CD2 3.88Å; Y699-L735 HydrophobicContact CD2-CD2 4.49Å; Y699-L735 HydrophobicContact CE1-CB 4.02Å; Y699-L735 WeakPolarHBondContact CE1-O 3.29Å; Y699-L735 HydrophobicContact CG-CD2 3.88Å; Y699-L735 PolarHBondContact OH-O 3.07Å; S731-L735 PolarHBondContact O-N 3.09Å; L732-L735 PolarHBondContact O-N 3.44Å; L732-L735 VanDerWaalsContact O-N 3.12Å; E733-L735 PolarHBondContact O-N 3.08Å
736	A	79.7	Confident	92.7	Very high	67 Å²	67	49.4 Å²	49.4	55%	0.554	29%	0.291	S	S	*	.	H	α-helix	trans	-83.7	-48.3	-176	0	0	0	0	0	112.8	L732 E733	L732-A736 WeakPolarHBondContact O-CB 3.2Å; L732-A736 PolarHBondContact O-N 2.98Å; E733-A736 PolarHBondContact O-N 3.43Å
737	N	81.3	Confident	92.7	Very high	121 Å²	121	49 Å²	49	65%	0.647	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-7.9	-172.9	-65.8	-35.4	0	0	0	113.4	E733	E733-N737 VanDerWaalsContact CD-ND2 3.3Å; E733-N737 PolarHBondContact O-N 3.39Å; E733-N737 WeakPolarHBondContact OE1-CB 3.28Å; E733-N737 PolarHBondContact OE1-ND2 3.45Å; E733-N737 PolarHBondContact OE2-ND2 3.08Å
738	G	89.8	Confident	92.7	Very high	35 Å²	35	48.1 Å²	48.1	36%	0.361	28%	0.278	S	S	.	.			trans	-75.6	-175.1	172.8	0	0	0	0	0	114	H700 E733 E734	H700-G738 PolarHBondContact CE1-O 2.92Å; H700-G738 VanDerWaalsContact NE2-C 3.33Å; E733-G738 PolarHBondContact O-N 2.89Å; E734-G738 VanDerWaalsContact O-CA 3.31Å; E734-G738 WeakPolarHBondContact O-CA 3.36Å; E734-G738 PolarHBondContact O-N 3.2Å
739	T	94.1	Very high	92.6	Very high	94 Å²	94	57.7 Å²	57.7	58%	0.577	32%	0.322	S	S	*	.			trans	-151.3	172.8	176.7	-169.9	0	0	0	0	110.4	H700 L741	H700-T739 VanDerWaalsContact CD2-C 3.49Å; H700-T739 PolarHBondContact CD2-O 3.24Å; H700-T739 VanDerWaalsContact CG-C 3.5Å; H700-T739 PolarHBondContact NE2-N 2.85Å; T739-L741 HydrophobicContact CG2-CD2 4.06Å; T739-L741 PolarHBondContact O-N 2.9Å
740	F	97.3	Very high	92.6	Very high	15 Å²	15	56.9 Å²	56.9	7%	0.066	32%	0.316	C	S	.	.			trans	-71.5	115.4	172.3	179.5	-94.5	0	0	0	110.2	H700 M701 R704 P742 E787 Q788	H700-F740 HydrophobicContact CB-CB 3.79Å; M701-F740 HydrophobicContact CB-CD2 3.67Å; M701-F740 HydrophobicContact CB-CE2 3.81Å; M701-F740 HydrophobicContact CG-CD2 4.37Å; M701-F740 HydrophobicContact CG-CE2 4.12Å; R704-F740 VanDerWaalsContact NH1-CD1 3.26Å; R704-F740 VanDerWaalsContact NH1-CE1 3.26Å; F740-P742 HydrophobicContact CD1-CG 4.25Å; F740-P742 HydrophobicContact CE1-CB 4.24Å; F740-P742 HydrophobicContact CE1-CG 4.15Å; F740-P742 WeakPolarHBondContact O-CD 3.42Å; F740-E787 HydrophobicContact CZ-CB 4.45Å; F740-Q788 HydrophobicContact CE1-CB 4.14Å; F740-Q788 HydrophobicContact CZ-CB 4.15Å
741	L	97.8	Very high	92.6	Very high	80 Å²	80	61.4 Å²	61.4	42%	0.419	34%	0.341	S	S	.	.			trans	-92.6	114.5	176.3	-60.6	179.3	0	0	0	109.4	Q697 T739 A743 I744 E787	Q697-L741 PolarHBondContact NE2-O 3.32Å; T739-L741 HydrophobicContact CG2-CD2 4.06Å; T739-L741 PolarHBondContact O-N 2.9Å; L741-A743 PolarHBondContact O-N 2.92Å; L741-I744 HydrophobicContact CB-CG1 3.83Å; L741-I744 HydrophobicContact CD1-CG1 4.06Å; L741-E787 WeakPolarHBondContact O-CB 3.26Å
742	P	97.9	Very high	92.8	Very high	38 Å²	38	61.7 Å²	61.7	25%	0.247	34%	0.342	C	S	.	.	S	Bend	trans	-68.5	-24.5	-179.2	-22	35.2	0	0	0	113.9	F740 E787 Q788 P793 A796	F740-P742 HydrophobicContact CD1-CG 4.25Å; F740-P742 HydrophobicContact CE1-CB 4.24Å; F740-P742 HydrophobicContact CE1-CG 4.15Å; F740-P742 WeakPolarHBondContact O-CD 3.42Å; P742-E787 PolarHBondContact O-N 3.36Å; P742-Q788 HydrophobicContact CB-CB 4.18Å; P742-Q788 PolarHBondContact O-N 3.33Å; P742-P793 HydrophobicContact CB-CB 3.46Å; P742-P793 VanDerWaalsContact CB-CB 3.46Å; P742-P793 HydrophobicContact CB-CG 4.01Å; P742-P793 HydrophobicContact CG-CB 4.48Å; P742-A796 HydrophobicContact CB-CB 4.44Å
743	A	98.2	Very high	93.2	Very high	6 Å²	6	66.3 Å²	66.3	5%	0.05	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.2	167.6	0	0	0	0	0	108.1	L741 R785 A796 M797	L741-A743 PolarHBondContact O-N 2.92Å; A743-R785 CarbonylContact C-O 3.55Å; A743-R785 WeakPolarHBondContact CA-O 3.47Å; A743-R785 WeakPolarHBondContact CB-O 3.29Å; A743-A796 HydrophobicContact CB-CB 4.2Å; A743-M797 HydrophobicContact CB-CG 4.45Å; A743-M797 HydrophobicContact CB-SD 3.65Å
744	I	98	Very high	93.7	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.108	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.3	176.3	-53.4	168.9	0	0	0	107.5	Q697 L741 I747 R785 E787	Q697-I744 HydrophobicContact CG-CD1 3.99Å; L741-I744 HydrophobicContact CB-CG1 3.83Å; L741-I744 HydrophobicContact CD1-CG1 4.06Å; I744-I747 HydrophobicContact CG2-CG2 4.48Å; I744-R785 HydrophobicContact CB-CB 4.3Å; I744-R785 PolarHBondContact N-O 3.26Å; I744-R785 PolarHBondContact O-N 3.42Å; I744-E787 HydrophobicContact CD1-CG 3.79Å; I744-E787 HydrophobicContact CG1-CG 3.89Å
745	G	97.2	Very high	94.1	Very high	11 Å²	11	58.7 Å²	58.7	11%	0.113	33%	0.333	C	S	.	.			trans	-71.9	-164.7	177.7	0	0	0	0	0	113.4
746	E	97.5	Very high	94.6	Very high	31 Å²	31	64.2 Å²	64.2	15%	0.145	36%	0.357	C	S	.	.			trans	-59.3	147.9	168.9	-175.6	53.6	-110.1	0	0	111.4	D748 L750 R773 A782 I783 F804	E746-D748 WeakPolarHBondContact CG-O 3.35Å; E746-D748 PolarHBondContact OE1-N 2.83Å; E746-L750 HydrophobicContact CG-CD1 4.14Å; E746-L750 HydrophobicContact CG-CG 4.38Å; E746-R773 VanDerWaalsContact CD-NH1 3.32Å; E746-R773 IonicContact OE1-CZ 3.8Å; E746-R773 IonicContact OE1-NH1 2.69Å; E746-R773 PolarHBondContact OE1-NH1 3.39Å; E746-R773 IonicContact OE1-NH2 3.29Å; E746-R773 PolarHBondContact OE1-NH2 2.81Å; E746-R773 IonicContact OE2-CZ 2.86Å; E746-R773 IonicContact OE2-NH1 3.76Å; E746-R773 PolarHBondContact OE2-NH1 3.48Å; E746-R773 IonicContact OE2-NH2 3.61Å; E746-A782 WeakPolarHBondContact OE2-CA 3.42Å; E746-I783 PolarHBondContact OE2-N 3.46Å; E746-F804 HydrophobicContact CB-CE2 4.47Å; E746-F804 HydrophobicContact CB-CZ 4.22Å
747	I	96	Very high	95.4	Very high	90 Å²	90	61.4 Å²	61.4	46%	0.462	33%	0.332	S	S	.	.			trans	-121	-17.9	176.5	73.3	174.1	0	0	0	113.8	I744 Y766 L770	I744-I747 HydrophobicContact CG2-CG2 4.48Å; I747-Y766 WeakPolarHBondContact CD1-OH 3.38Å; I747-Y766 VanDerWaalsContact CG1-OH 3.31Å; I747-Y766 WeakPolarHBondContact CG1-OH 3.34Å; I747-L770 HydrophobicContact CD1-CD2 4.43Å
748	D	96.5	Very high	96.2	Very high	41 Å²	41	55.7 Å²	55.7	22%	0.219	30%	0.302	C	S	.	.	S	Bend	trans	-84.4	146	172	-70.4	-24.7	0	0	0	110.2	E746 L750 L770 R773 R774	E746-D748 WeakPolarHBondContact CG-O 3.35Å; E746-D748 PolarHBondContact OE1-N 2.83Å; D748-L750 PolarHBondContact O-N 2.97Å; D748-L770 WeakPolarHBondContact OD2-CD1 3.48Å; D748-R773 IonicContact OD2-CZ 3.72Å; D748-R773 IonicContact OD2-NH2 2.66Å; D748-R773 PolarHBondContact OD2-NH2 2.61Å; D748-R774 IonicContact OD1-CZ 3.89Å; D748-R774 IonicContact OD1-NE 2.72Å; D748-R774 PolarHBondContact OD1-NE 3.26Å; D748-R774 IonicContact OD1-NH2 3.23Å; D748-R774 PolarHBondContact OD1-NH2 3.35Å; D748-R774 IonicContact OD2-CZ 3.8Å; D748-R774 IonicContact OD2-NE 3.39Å; D748-R774 PolarHBondContact OD2-NE 3.5Å; D748-R774 IonicContact OD2-NH2 2.67Å
749	E	94.3	Very high	96.7	Very high	201 Å²	201	54 Å²	54	94%	0.939	28%	0.284	S	S	*	.			trans	-70.6	94.2	176.6	-66.3	-174.2	173.2	0	0	111.2
750	L	94.9	Very high	96.9	Very high	29 Å²	29	49.5 Å²	49.5	15%	0.152	26%	0.257	C	S	.	.			trans	-108.7	140.7	172.7	-59.2	-176.5	0	0	0	110.5	E746 D748 P752 V755 H779 A782	E746-L750 HydrophobicContact CG-CD1 4.14Å; E746-L750 HydrophobicContact CG-CG 4.38Å; D748-L750 PolarHBondContact O-N 2.97Å; L750-P752 VanDerWaalsContact O-CD 3.24Å; L750-P752 WeakPolarHBondContact O-CD 3.11Å; L750-V755 HydrophobicContact CD1-CG2 4.43Å; L750-H779 HydrophobicContact CD2-CB 4.15Å; L750-A782 HydrophobicContact CD1-CB 4.4Å
751	D	95.4	Very high	96.9	Very high	95 Å²	95	48.8 Å²	48.8	51%	0.508	25%	0.254	S	S	.	.			trans	-70.2	115.8	164.5	176.2	5.6	0	0	0	108.6	K753 G754	D751-K753 PolarHBondContact O-N 3.41Å; D751-K753 WeakPolarHBondContact OD1-CB 3.42Å; D751-K753 WeakPolarHBondContact OD1-CG 3.47Å; D751-K753 PolarHBondContact OD1-N 2.87Å; D751-G754 PolarHBondContact O-N 2.75Å
752	P	95.2	Very high	97	Very high	39 Å²	39	45.8 Å²	45.8	25%	0.253	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.6	-178.6	-23.8	35.1	0	0	0	113.1	L750 G754 V755 Q803 F804 H806	L750-P752 VanDerWaalsContact O-CD 3.24Å; L750-P752 WeakPolarHBondContact O-CD 3.11Å; P752-G754 VanDerWaalsContact C-N 3.27Å; P752-G754 PolarHBondContact O-N 2.83Å; P752-V755 PolarHBondContact O-N 3.28Å; P752-Q803 WeakPolarHBondContact CB-O 3.2Å; P752-Q803 HydrophobicContact CG-CB 4.47Å; P752-F804 HydrophobicContact CB-CD1 4.02Å; P752-F804 HydrophobicContact CB-CE1 3.89Å; P752-F804 HydrophobicContact CG-CE1 4.38Å; P752-H806 PolarHBondContact O-CE1 3.05Å; P752-H806 PolarHBondContact O-NE2 2.97Å
753	K	95.2	Very high	97	Very high	175 Å²	175	44.3 Å²	44.3	76%	0.761	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-68.2	-25.7	177.5	-58.5	168	-174.1	163.7	0	113.2	D751	D751-K753 PolarHBondContact O-N 3.41Å; D751-K753 WeakPolarHBondContact OD1-CB 3.42Å; D751-K753 WeakPolarHBondContact OD1-CG 3.47Å; D751-K753 PolarHBondContact OD1-N 2.87Å
754	G	95.6	Very high	96.9	Very high	37 Å²	37	45.4 Å²	45.4	38%	0.381	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-79.8	-18.2	176.4	0	0	0	0	0	113.5	D751 P752 K756 D780	D751-G754 PolarHBondContact O-N 2.75Å; P752-G754 VanDerWaalsContact C-N 3.27Å; P752-G754 PolarHBondContact O-N 2.83Å; G754-K756 PolarHBondContact O-N 2.99Å; G754-D780 WeakPolarHBondContact O-CB 3.25Å
755	V	97.3	Very high	97	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	23%	0.23	C	C	.	.			trans	-73.3	124.9	-177.7	-179.2	0	0	0	0	110.8	L750 P752 R757 V758 A782 F804 H806 V807	L750-V755 HydrophobicContact CD1-CG2 4.43Å; P752-V755 PolarHBondContact O-N 3.28Å; V755-R757 WeakPolarHBondContact CG1-O 3.26Å; V755-V758 HydrophobicContact CG1-CG2 4.39Å; V755-A782 HydrophobicContact CG1-CB 3.92Å; V755-A782 HydrophobicContact CG2-CB 4.28Å; V755-F804 HydrophobicContact CB-CD1 4.08Å; V755-F804 HydrophobicContact CB-CE1 4.24Å; V755-F804 HydrophobicContact CG1-CD1 4.13Å; V755-F804 HydrophobicContact CG1-CE1 4.39Å; V755-F804 HydrophobicContact CG2-CD1 4.17Å; V755-F804 HydrophobicContact CG2-CE1 3.8Å; V755-H806 PolarHBondContact O-NE2 2.86Å; V755-V807 HydrophobicContact CG1-CG2 4.11Å
756	K	97	Very high	97	Very high	119 Å²	119	44 Å²	44	52%	0.517	23%	0.225	S	C	.	.			trans	-105.1	-26.7	178	-60.5	170	-167.1	158.1	0	113	G754 D780 V807 V873	G754-K756 PolarHBondContact O-N 2.99Å; K756-D780 HydrophobicContact CD-CB 4.03Å; K756-D780 WeakPolarHBondContact CD-OD2 3.41Å; K756-D780 WeakPolarHBondContact CE-OD2 3.47Å; K756-D780 HydrophobicContact CG-CB 4.13Å; K756-D780 PolarHBondContact N-O 2.8Å; K756-D780 IonicContact NZ-OD2 3.85Å; K756-D780 PolarHBondContact NZ-OD2 2.94Å; K756-V807 WeakPolarHBondContact O-CG1 3.24Å; K756-V873 HydrophobicContact CB-CG1 4.07Å; K756-V873 HydrophobicContact CD-CG1 3.83Å
757	R	97.8	Very high	97.1	Very high	8 Å²	8	43 Å²	43	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.1	178.7	171.4	-178.7	-73.3	-179	6.9	111.4	V755 V759 D780 V781 A782 D809 V811 D869 A870 N872 V873	V755-R757 WeakPolarHBondContact CG1-O 3.26Å; R757-V759 HydrophobicContact CG-CG2 4.23Å; R757-D780 PolarHBondContact N-O 2.93Å; R757-V781 HydrophobicContact CB-CG1 4.47Å; R757-V781 HydrophobicContact CB-CG2 4.3Å; R757-V781 HydrophobicContact CG-CG1 4.32Å; R757-V781 WeakPolarHBondContact O-CA 3.38Å; R757-A782 PolarHBondContact O-N 3.08Å; R757-A782 VanDerWaalsContact O-N 3.13Å; R757-D809 VanDerWaalsContact CA-O 3.26Å; R757-D809 WeakPolarHBondContact CA-O 3.42Å; R757-D809 HydrophobicContact CB-CB 4.39Å; R757-D809 IonicContact CZ-OD2 2.81Å; R757-D809 IonicContact NE-OD2 2.64Å; R757-D809 PolarHBondContact NE-OD2 3.34Å; R757-D809 IonicContact NH2-OD2 3.27Å; R757-D809 PolarHBondContact NH2-OD2 2.82Å; R757-V811 HydrophobicContact CG-CG2 4.15Å; R757-D869 PolarHBondContact NH1-O 3.2Å; R757-A870 VanDerWaalsContact CD-O 3.28Å; R757-A870 WeakPolarHBondContact CD-O 3.38Å; R757-A870 PolarHBondContact NH1-O 2.76Å; R757-N872 PolarHBondContact NH1-O 3.15Å; R757-N872 PolarHBondContact NH2-O 3.43Å; R757-V873 HydrophobicContact CB-CG2 4.27Å
758	V	98.2	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.4	165.2	179.5	0	0	0	0	109.5	V755 M760 A782 V784 L801 F804 V807 D809 F810 V811	V755-V758 HydrophobicContact CG1-CG2 4.39Å; V758-M760 HydrophobicContact CG1-CG 4.48Å; V758-A782 WeakPolarHBondContact CA-O 3.35Å; V758-A782 HydrophobicContact CG2-CB 4.46Å; V758-V784 HydrophobicContact CG1-CB 4.41Å; V758-V784 HydrophobicContact CG1-CG2 3.82Å; V758-L801 HydrophobicContact CG1-CD2 3.96Å; V758-F804 HydrophobicContact CG2-CB 3.72Å; V758-F804 HydrophobicContact CG2-CD2 3.99Å; V758-F804 HydrophobicContact CG2-CG 3.89Å; V758-V807 HydrophobicContact CG2-CB 4.44Å; V758-V807 HydrophobicContact CG2-CG1 4.21Å; V758-V807 HydrophobicContact CG2-CG2 4.27Å; V758-D809 PolarHBondContact N-O 3.25Å; V758-D809 VanDerWaalsContact N-O 3.09Å; V758-F810 HydrophobicContact CB-CD1 3.74Å; V758-F810 HydrophobicContact CB-CE1 3.66Å; V758-F810 HydrophobicContact CB-CG 4.47Å; V758-F810 HydrophobicContact CB-CZ 4.32Å; V758-F810 HydrophobicContact CG1-CD1 4.18Å; V758-F810 HydrophobicContact CG1-CE1 4.06Å; V758-F810 HydrophobicContact CG2-CD1 4.47Å; V758-F810 HydrophobicContact CG2-CE1 3.93Å; V758-F810 HydrophobicContact CG2-CZ 4.18Å; V758-F810 WeakPolarHBondContact O-CA 3.44Å; V758-V811 PolarHBondContact O-N 3.44Å
759	V	98.5	Very high	97.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.7	173	-177.9	0	0	0	0	108.8	R757 L769 V781 A782 I783 V784 V811 C813 A870	R757-V759 HydrophobicContact CG-CG2 4.23Å; V759-L769 HydrophobicContact CG1-CD1 3.9Å; V759-V781 HydrophobicContact CG2-CG1 3.64Å; V759-A782 PolarHBondContact N-O 3.1Å; V759-I783 WeakPolarHBondContact O-CA 3.45Å; V759-V784 PolarHBondContact O-N 3.16Å; V759-V811 HydrophobicContact CG2-CB 4.36Å; V759-C813 HydrophobicContact CG1-CB 3.55Å; V759-A870 HydrophobicContact CG1-CB 4.42Å; V759-A870 WeakPolarHBondContact CG2-O 3.47Å
760	M	98.5	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.4	169	-63.2	-179	-65.5	0	0	108.8	V758 V784 I786 M797 L801 F810 V811 W812 C813 F830 I834 L840	V758-M760 HydrophobicContact CG1-CG 4.48Å; M760-V784 CarbonylContact C-O 3.47Å; M760-V784 WeakPolarHBondContact CA-O 3.45Å; M760-I786 HydrophobicContact CB-CD1 4.47Å; M760-M797 HydrophobicContact CG-CE 4.37Å; M760-M797 HydrophobicContact SD-CE 3.68Å; M760-L801 HydrophobicContact SD-CD1 4.44Å; M760-F810 HydrophobicContact CE-CB 4.38Å; M760-F810 HydrophobicContact CE-CD1 4.29Å; M760-F810 HydrophobicContact SD-CD1 4.48Å; M760-V811 PolarHBondContact N-O 3.41Å; M760-W812 HydrophobicContact CB-CE3 3.89Å; M760-W812 HydrophobicContact CB-CZ3 4.31Å; M760-W812 WeakPolarHBondContact O-CA 3.34Å; M760-W812 VanDerWaalsContact O-CE3 3.31Å; M760-C813 PolarHBondContact O-N 3.17Å; M760-F830 HydrophobicContact CE-CB 4.32Å; M760-I834 HydrophobicContact CE-CG2 4.17Å; M760-L840 HydrophobicContact CE-CD1 3.7Å
761	C	98.7	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	180	-177.9	65.3	0	0	0	0	111.5	V765 L769 V784 R785 I786 C813	C761-V765 HydrophobicContact CB-CG1 3.86Å; C761-L769 HydrophobicContact CB-CD1 4.02Å; C761-V784 PolarHBondContact N-O 3.28Å; C761-V784 PolarHBondContact SG-O 2.88Å; C761-R785 CarbonylContact O-C 3.55Å; C761-R785 WeakPolarHBondContact O-CA 3.29Å; C761-I786 PolarHBondContact O-N 3.45Å; C761-C813 WeakPolarHBondContact CA-O 3.43Å; C761-C813 HydrophobicContact CB-CB 4.38Å; C761-C813 WeakPolarHBondContact CB-O 3.35Å
762	S	98.6	Very high	97.7	Very high	17 Å²	17	28.3 Å²	28.3	12%	0.119	15%	0.146	C	C	.	.			trans	-153.2	150.5	178.4	-167.1	0	0	0	0	111.1	V691 I786	V691-S762 VanDerWaalsContact CB-OG 3.24Å; V691-S762 WeakPolarHBondContact CB-OG 3.12Å; S762-I786 WeakPolarHBondContact CB-O 3.39Å; S762-I786 PolarHBondContact OG-O 3.1Å
763	G	97.7	Very high	97.8	Very high	7 Å²	7	26.6 Å²	26.6	7%	0.072	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-149.3	-180	0	0	0	0	0	114.8	V691 V765 Y766	V691-G763 VanDerWaalsContact CG1-CA 3.41Å; G763-V765 VanDerWaalsContact C-N 3.32Å; G763-V765 PolarHBondContact O-N 3.24Å; G763-Y766 WeakPolarHBondContact O-CB 3.02Å; G763-Y766 PolarHBondContact O-N 2.78Å
764	K	98.1	Very high	97.9	Very high	28 Å²	28	23.1 Å²	23.1	12%	0.122	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.2	-166.4	71.7	151	-64	-71.4	0	115.1	E664 L722 Y766 Y767 D768 E815	E664-K764 HydrophobicContact CG-CD 4.4Å; L722-K764 HydrophobicContact CD1-CB 4.08Å; L722-K764 HydrophobicContact CD2-CB 3.85Å; L722-K764 HydrophobicContact CG-CB 3.95Å; K764-Y766 PolarHBondContact O-N 3.11Å; K764-Y767 PolarHBondContact O-N 2.92Å; K764-D768 IonicContact NZ-OD1 3.7Å; K764-D768 PolarHBondContact NZ-OD1 2.88Å; K764-D768 IonicContact NZ-OD2 3.71Å; K764-D768 PolarHBondContact NZ-OD2 3Å; K764-E815 WeakPolarHBondContact CD-OE2 3.22Å; K764-E815 WeakPolarHBondContact CG-OE1 3.43Å; K764-E815 WeakPolarHBondContact CG-OE2 3.44Å; K764-E815 IonicContact NZ-OE1 2.69Å; K764-E815 PolarHBondContact NZ-OE1 2.69Å; K764-E815 IonicContact NZ-OE2 3.63Å
765	V	98.2	Very high	98	Very high	3 Å²	3	28 Å²	28	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-23.2	-177.2	77.9	0	0	0	0	112.6	C761 G763 Y767 D768 L769 E815 L866	C761-V765 HydrophobicContact CB-CG1 3.86Å; G763-V765 VanDerWaalsContact C-N 3.32Å; G763-V765 PolarHBondContact O-N 3.24Å; V765-Y767 PolarHBondContact O-N 2.97Å; V765-D768 PolarHBondContact O-N 3.47Å; V765-L769 HydrophobicContact CG1-CD1 4.41Å; V765-L769 HydrophobicContact CG2-CD1 4.43Å; V765-L769 WeakPolarHBondContact O-CB 3.43Å; V765-L769 WeakPolarHBondContact O-CD1 3.16Å; V765-L769 VanDerWaalsContact O-CG 3.27Å; V765-L769 WeakPolarHBondContact O-CG 3.35Å; V765-L769 PolarHBondContact O-N 3.5Å; V765-E815 HydrophobicContact CB-CG 3.98Å; V765-E815 HydrophobicContact CG2-CG 3.95Å; V765-L866 HydrophobicContact CG2-CD1 4.06Å
766	Y	98.6	Very high	97.9	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-51.6	-42.7	169.8	172.7	-105.8	0	0	0	112.8	I747 G763 K764 L770 I783 R785	I747-Y766 WeakPolarHBondContact CD1-OH 3.38Å; I747-Y766 VanDerWaalsContact CG1-OH 3.31Å; I747-Y766 WeakPolarHBondContact CG1-OH 3.34Å; G763-Y766 WeakPolarHBondContact O-CB 3.02Å; G763-Y766 PolarHBondContact O-N 2.78Å; K764-Y766 PolarHBondContact O-N 3.11Å; Y766-L770 HydrophobicContact CE1-CD2 3.91Å; Y766-L770 WeakPolarHBondContact O-CB 3.45Å; Y766-L770 PolarHBondContact O-N 3.35Å; Y766-I783 HydrophobicContact CD2-CG2 3.57Å; Y766-I783 HydrophobicContact CE2-CB 4.23Å; Y766-I783 HydrophobicContact CE2-CG2 3.77Å; Y766-R785 HydrophobicContact CD1-CG 4.34Å; Y766-R785 HydrophobicContact CD2-CG 3.38Å; Y766-R785 HydrophobicContact CE2-CG 3.91Å; Y766-R785 VanDerWaalsContact CG-CD 3.46Å; Y766-R785 HydrophobicContact CG-CG 3.63Å; Y766-R785 PolarHBondContact OH-NH2 3.45Å
767	Y	98.3	Very high	97.9	Very high	8 Å²	8	32 Å²	32	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-73.4	-41.8	-177.3	-72.2	-74.3	0	0	0	111.7	S693 L722 H725 L727 A728 K764 V765 L769 L770 E771	S693-Y767 PolarHBondContact O-OH 3.43Å; L722-Y767 HydrophobicContact CD1-CD2 4.31Å; L722-Y767 HydrophobicContact CD1-CE2 4.12Å; L722-Y767 HydrophobicContact CD2-CD2 3.53Å; L722-Y767 HydrophobicContact CD2-CE2 3.92Å; L722-Y767 HydrophobicContact CD2-CG 4.36Å; H725-Y767 AromaticContact ND1-CD1 3.96Å; L727-Y767 HydrophobicContact CB-CD1 3.64Å; L727-Y767 HydrophobicContact CB-CE1 3.53Å; L727-Y767 HydrophobicContact CD1-CD1 4.35Å; L727-Y767 WeakPolarHBondContact O-CE1 3.39Å; L727-Y767 PolarHBondContact O-OH 3.14Å; L727-Y767 VanDerWaalsContact O-OH 3.06Å; A728-Y767 WeakPolarHBondContact CA-OH 3.49Å; A728-Y767 HydrophobicContact CB-CE2 4.13Å; K764-Y767 PolarHBondContact O-N 2.92Å; V765-Y767 PolarHBondContact O-N 2.97Å; Y767-L769 VanDerWaalsContact C-N 3.31Å; Y767-L769 PolarHBondContact O-N 2.86Å; Y767-L770 HydrophobicContact CD1-CD2 4.44Å; Y767-L770 PolarHBondContact O-N 3.37Å; Y767-E771 WeakPolarHBondContact O-CB 3.2Å; Y767-E771 WeakPolarHBondContact O-CG 3.44Å; Y767-E771 PolarHBondContact O-N 3.36Å
768	D	97.9	Very high	97.8	Very high	41 Å²	41	33.3 Å²	33.3	22%	0.219	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-43.4	173.1	-56.9	42.9	0	0	0	111.4	K764 V765 Q772 Q863 V867	K764-D768 IonicContact NZ-OD1 3.7Å; K764-D768 PolarHBondContact NZ-OD1 2.88Å; K764-D768 IonicContact NZ-OD2 3.71Å; K764-D768 PolarHBondContact NZ-OD2 3Å; V765-D768 PolarHBondContact O-N 3.47Å; D768-Q772 VanDerWaalsContact O-CB 3.32Å; D768-Q772 WeakPolarHBondContact O-CB 3.12Å; D768-Q772 PolarHBondContact O-N 2.89Å; D768-Q772 VanDerWaalsContact O-N 3.07Å; D768-Q863 PolarHBondContact OD2-NE2 2.67Å; D768-V867 HydrophobicContact CB-CG2 3.95Å
769	L	98.5	Very high	97.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-46.2	174.7	-70	164.3	0	0	0	112.1	V759 C761 V765 Y767 Q772 R773 I783 C813 V867 A870 L871	V759-L769 HydrophobicContact CG1-CD1 3.9Å; C761-L769 HydrophobicContact CB-CD1 4.02Å; V765-L769 HydrophobicContact CG1-CD1 4.41Å; V765-L769 HydrophobicContact CG2-CD1 4.43Å; V765-L769 WeakPolarHBondContact O-CB 3.43Å; V765-L769 WeakPolarHBondContact O-CD1 3.16Å; V765-L769 VanDerWaalsContact O-CG 3.27Å; V765-L769 WeakPolarHBondContact O-CG 3.35Å; V765-L769 PolarHBondContact O-N 3.5Å; Y767-L769 VanDerWaalsContact C-N 3.31Å; Y767-L769 PolarHBondContact O-N 2.86Å; L769-Q772 PolarHBondContact O-N 3.11Å; L769-R773 VanDerWaalsContact O-CB 3.25Å; L769-R773 WeakPolarHBondContact O-CB 3.38Å; L769-R773 PolarHBondContact O-N 2.95Å; L769-I783 HydrophobicContact CB-CD1 3.89Å; L769-I783 HydrophobicContact CD1-CG2 4.41Å; L769-C813 HydrophobicContact CD1-CB 4.15Å; L769-V867 HydrophobicContact CD2-CG1 4.3Å; L769-A870 HydrophobicContact CD2-CB 3.72Å; L769-L871 HydrophobicContact CD2-CD2 4.22Å; L769-L871 HydrophobicContact CD2-CG 4.07Å
770	L	98.1	Very high	97.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-46.5	-179.3	-179	66.8	0	0	0	111.5	L727 I747 D748 Y766 Y767 R774	L727-L770 HydrophobicContact CD1-CD2 4.45Å; I747-L770 HydrophobicContact CD1-CD2 4.43Å; D748-L770 WeakPolarHBondContact OD2-CD1 3.48Å; Y766-L770 HydrophobicContact CE1-CD2 3.91Å; Y766-L770 WeakPolarHBondContact O-CB 3.45Å; Y766-L770 PolarHBondContact O-N 3.35Å; Y767-L770 HydrophobicContact CD1-CD2 4.44Å; Y767-L770 PolarHBondContact O-N 3.37Å; L770-R774 HydrophobicContact CD1-CG 4.46Å; L770-R774 WeakPolarHBondContact O-CB 3.39Å; L770-R774 VanDerWaalsContact O-CG 3.27Å; L770-R774 WeakPolarHBondContact O-CG 3.14Å; L770-R774 PolarHBondContact O-N 3.01Å
771	E	97.5	Very high	97.6	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-44.2	178.1	-71.4	-171.3	175.8	0	0	111.5	H725 L727 Y767 R774 K775	H725-E771 IonicContact CE1-OE1 2.76Å; H725-E771 PolarHBondContact CE1-OE1 3.5Å; H725-E771 IonicContact NE2-OE1 2.71Å; L727-E771 HydrophobicContact CD1-CG 3.89Å; L727-E771 WeakPolarHBondContact CD1-OE1 3.06Å; Y767-E771 WeakPolarHBondContact O-CB 3.2Å; Y767-E771 WeakPolarHBondContact O-CG 3.44Å; Y767-E771 PolarHBondContact O-N 3.36Å; E771-R774 PolarHBondContact O-N 3.24Å; E771-K775 WeakPolarHBondContact O-CB 3.36Å; E771-K775 PolarHBondContact O-N 2.96Å
772	Q	97.8	Very high	97.6	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-35.2	178.1	-170.4	56.1	70.2	0	0	112.5	D768 L769 N776 V867 L871	D768-Q772 VanDerWaalsContact O-CB 3.32Å; D768-Q772 WeakPolarHBondContact O-CB 3.12Å; D768-Q772 PolarHBondContact O-N 2.89Å; D768-Q772 VanDerWaalsContact O-N 3.07Å; L769-Q772 PolarHBondContact O-N 3.11Å; Q772-N776 PolarHBondContact NE2-OD1 3.15Å; Q772-N776 WeakPolarHBondContact O-CB 3.23Å; Q772-N776 PolarHBondContact O-N 3.35Å; Q772-N776 PolarHBondContact O-OD1 3.09Å; Q772-V867 HydrophobicContact CB-CG1 3.67Å; Q772-V867 HydrophobicContact CG-CG1 3.86Å; Q772-L871 HydrophobicContact CB-CD1 3.95Å; Q772-L871 HydrophobicContact CG-CD1 3.97Å
773	R	98	Very high	97.5	Very high	2 Å²	2	40 Å²	40	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-50.1	172.7	-175.7	-172.6	68	-170.1	-1.9	111.7	E746 D748 L769 K775 N776 N777 Q778 V781 I783 L871	E746-R773 VanDerWaalsContact CD-NH1 3.32Å; E746-R773 IonicContact OE1-CZ 3.8Å; E746-R773 IonicContact OE1-NH1 2.69Å; E746-R773 PolarHBondContact OE1-NH1 3.39Å; E746-R773 IonicContact OE1-NH2 3.29Å; E746-R773 PolarHBondContact OE1-NH2 2.81Å; E746-R773 IonicContact OE2-CZ 2.86Å; E746-R773 IonicContact OE2-NH1 3.76Å; E746-R773 PolarHBondContact OE2-NH1 3.48Å; E746-R773 IonicContact OE2-NH2 3.61Å; D748-R773 IonicContact OD2-CZ 3.72Å; D748-R773 IonicContact OD2-NH2 2.66Å; D748-R773 PolarHBondContact OD2-NH2 2.61Å; L769-R773 VanDerWaalsContact O-CB 3.25Å; L769-R773 WeakPolarHBondContact O-CB 3.38Å; L769-R773 PolarHBondContact O-N 2.95Å; R773-K775 VanDerWaalsContact C-N 3.34Å; R773-K775 PolarHBondContact O-N 3.09Å; R773-N776 CarbonylContact O-C 3.6Å; R773-N776 WeakPolarHBondContact O-CB 3.44Å; R773-N776 PolarHBondContact O-N 3.1Å; R773-N776 VanDerWaalsContact O-N 3.14Å; R773-N777 PolarHBondContact O-N 3.44Å; R773-N777 VanDerWaalsContact O-N 3.15Å; R773-Q778 WeakPolarHBondContact CD-O 3.49Å; R773-Q778 HydrophobicContact CG-CB 3.96Å; R773-Q778 WeakPolarHBondContact CG-O 3.36Å; R773-Q778 PolarHBondContact O-N 2.87Å; R773-Q778 VanDerWaalsContact O-N 3.09Å; R773-V781 WeakPolarHBondContact CD-O 3.3Å; R773-V781 PolarHBondContact NH1-O 3.36Å; R773-I783 HydrophobicContact CB-CD1 4.32Å; R773-L871 HydrophobicContact CB-CD1 4.3Å; R773-L871 HydrophobicContact CB-CD2 4.26Å
774	R	97.5	Very high	97.6	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-42.9	178.1	-73.7	172	173.2	-178.8	-4.5	111.1	D748 L770 E771 N776 N777	D748-R774 IonicContact OD1-CZ 3.89Å; D748-R774 IonicContact OD1-NE 2.72Å; D748-R774 PolarHBondContact OD1-NE 3.26Å; D748-R774 IonicContact OD1-NH2 3.23Å; D748-R774 PolarHBondContact OD1-NH2 3.35Å; D748-R774 IonicContact OD2-CZ 3.8Å; D748-R774 IonicContact OD2-NE 3.39Å; D748-R774 PolarHBondContact OD2-NE 3.5Å; D748-R774 IonicContact OD2-NH2 2.67Å; L770-R774 HydrophobicContact CD1-CG 4.46Å; L770-R774 WeakPolarHBondContact O-CB 3.39Å; L770-R774 VanDerWaalsContact O-CG 3.27Å; L770-R774 WeakPolarHBondContact O-CG 3.14Å; L770-R774 PolarHBondContact O-N 3.01Å; E771-R774 PolarHBondContact O-N 3.24Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.31Å; R774-N777 PolarHBondContact O-N 3.34Å
775	K	96.8	Very high	97.6	Very high	141 Å²	141	38.7 Å²	38.7	61%	0.613	18%	0.183	S	C	*	.	H	α-helix	trans	-60.4	-33.4	173.3	175.6	-179.3	164.9	-159.9	0	113.3	E771 R773 N777	E771-K775 WeakPolarHBondContact O-CB 3.36Å; E771-K775 PolarHBondContact O-N 2.96Å; R773-K775 VanDerWaalsContact C-N 3.34Å; R773-K775 PolarHBondContact O-N 3.09Å; K775-N777 VanDerWaalsContact C-N 3.3Å
776	N	96.4	Very high	97.6	Very high	80 Å²	80	38.6 Å²	38.6	43%	0.428	18%	0.182	S	C	.	.	H	α-helix	trans	-77.4	-11.3	172.7	-71.1	-6.1	0	0	0	113.4	Q772 R773 R774 Q778	Q772-N776 PolarHBondContact NE2-OD1 3.15Å; Q772-N776 WeakPolarHBondContact O-CB 3.23Å; Q772-N776 PolarHBondContact O-N 3.35Å; Q772-N776 PolarHBondContact O-OD1 3.09Å; R773-N776 CarbonylContact O-C 3.6Å; R773-N776 WeakPolarHBondContact O-CB 3.44Å; R773-N776 PolarHBondContact O-N 3.1Å; R773-N776 VanDerWaalsContact O-N 3.14Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.31Å; N776-Q778 HydrophobicContact CB-CB 3.81Å; N776-Q778 PolarHBondContact ND2-OE1 2.97Å; N776-Q778 PolarHBondContact O-N 3.07Å
777	N	95.5	Very high	97.6	Very high	126 Å²	126	38.5 Å²	38.5	67%	0.674	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.6	-164.8	-55.3	-81.9	0	0	0	112.1	R773 R774 K775 H779	R773-N777 PolarHBondContact O-N 3.44Å; R773-N777 VanDerWaalsContact O-N 3.15Å; R774-N777 PolarHBondContact O-N 3.34Å; K775-N777 VanDerWaalsContact C-N 3.3Å; N777-H779 PolarHBondContact O-CE1 3.06Å; N777-H779 VanDerWaalsContact O-CE1 3.25Å; N777-H779 PolarHBondContact O-ND1 2.85Å
778	Q	95.8	Very high	97.6	Very high	36 Å²	36	39 Å²	39	17%	0.168	18%	0.184	C	C	.	.			trans	-92.8	119.9	-170.9	-176.8	174	9.2	0	0	111.4	R773 N776 D780 V781 L871	R773-Q778 WeakPolarHBondContact CD-O 3.49Å; R773-Q778 HydrophobicContact CG-CB 3.96Å; R773-Q778 WeakPolarHBondContact CG-O 3.36Å; R773-Q778 PolarHBondContact O-N 2.87Å; R773-Q778 VanDerWaalsContact O-N 3.09Å; N776-Q778 HydrophobicContact CB-CB 3.81Å; N776-Q778 PolarHBondContact ND2-OE1 2.97Å; N776-Q778 PolarHBondContact O-N 3.07Å; Q778-D780 VanDerWaalsContact CG-OD1 3.24Å; Q778-D780 WeakPolarHBondContact CG-OD1 3.21Å; Q778-D780 PolarHBondContact NE2-OD1 3.25Å; Q778-V781 HydrophobicContact CG-CG2 4.35Å; Q778-V781 VanDerWaalsContact NE2-CG2 3.28Å; Q778-L871 PolarHBondContact NE2-O 3.22Å
779	H	96.4	Very high	97.7	Very high	125 Å²	125	37.2 Å²	37.2	58%	0.579	17%	0.174	S	C	*	.			trans	-110	-8	-171.9	-62.5	78.5	0	0	0	113.8	L750 N777	L750-H779 HydrophobicContact CD2-CB 4.15Å; N777-H779 PolarHBondContact O-CE1 3.06Å; N777-H779 VanDerWaalsContact O-CE1 3.25Å; N777-H779 PolarHBondContact O-ND1 2.85Å
780	D	97	Very high	97.7	Very high	32 Å²	32	38.4 Å²	38.4	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-94.5	10.1	-176.8	62.2	-9.2	0	0	0	114.2	G754 K756 R757 Q778	G754-D780 WeakPolarHBondContact O-CB 3.25Å; K756-D780 HydrophobicContact CD-CB 4.03Å; K756-D780 WeakPolarHBondContact CD-OD2 3.41Å; K756-D780 WeakPolarHBondContact CE-OD2 3.47Å; K756-D780 HydrophobicContact CG-CB 4.13Å; K756-D780 PolarHBondContact N-O 2.8Å; K756-D780 IonicContact NZ-OD2 3.85Å; K756-D780 PolarHBondContact NZ-OD2 2.94Å; R757-D780 PolarHBondContact N-O 2.93Å; Q778-D780 VanDerWaalsContact CG-OD1 3.24Å; Q778-D780 WeakPolarHBondContact CG-OD1 3.21Å; Q778-D780 PolarHBondContact NE2-OD1 3.25Å
781	V	98	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	113	178.4	-174.4	0	0	0	0	111.1	R757 V759 R773 Q778 L871 V873	R757-V781 HydrophobicContact CB-CG1 4.47Å; R757-V781 HydrophobicContact CB-CG2 4.3Å; R757-V781 HydrophobicContact CG-CG1 4.32Å; R757-V781 WeakPolarHBondContact O-CA 3.38Å; V759-V781 HydrophobicContact CG2-CG1 3.64Å; R773-V781 WeakPolarHBondContact CD-O 3.3Å; R773-V781 PolarHBondContact NH1-O 3.36Å; Q778-V781 HydrophobicContact CG-CG2 4.35Å; Q778-V781 VanDerWaalsContact NE2-CG2 3.28Å; V781-L871 HydrophobicContact CG1-CD2 4Å; V781-V873 HydrophobicContact CG2-CG2 3.53Å
782	A	98.1	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148	171.1	0	0	0	0	0	111	E746 L750 V755 R757 V758 V759 F804	E746-A782 WeakPolarHBondContact OE2-CA 3.42Å; L750-A782 HydrophobicContact CD1-CB 4.4Å; V755-A782 HydrophobicContact CG1-CB 3.92Å; V755-A782 HydrophobicContact CG2-CB 4.28Å; R757-A782 PolarHBondContact O-N 3.08Å; R757-A782 VanDerWaalsContact O-N 3.13Å; V758-A782 WeakPolarHBondContact CA-O 3.35Å; V758-A782 HydrophobicContact CG2-CB 4.46Å; V759-A782 PolarHBondContact N-O 3.1Å; A782-F804 HydrophobicContact CB-CD1 4.44Å; A782-F804 HydrophobicContact CB-CD2 4.3Å; A782-F804 HydrophobicContact CB-CE1 3.87Å; A782-F804 HydrophobicContact CB-CE2 3.7Å; A782-F804 HydrophobicContact CB-CZ 3.47Å; A782-F804 VanDerWaalsContact CB-CZ 3.47Å
783	I	98.5	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.2	-178.9	-53.4	163.9	0	0	0	109	E746 V759 Y766 L769 R773	E746-I783 PolarHBondContact OE2-N 3.46Å; V759-I783 WeakPolarHBondContact O-CA 3.45Å; Y766-I783 HydrophobicContact CD2-CG2 3.57Å; Y766-I783 HydrophobicContact CE2-CB 4.23Å; Y766-I783 HydrophobicContact CE2-CG2 3.77Å; L769-I783 HydrophobicContact CB-CD1 3.89Å; L769-I783 HydrophobicContact CD1-CG2 4.41Å; R773-I783 HydrophobicContact CB-CD1 4.32Å
784	V	98.4	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.8	-177.8	176.4	0	0	0	0	109.6	V758 V759 M760 C761 M797 V800 L801	V758-V784 HydrophobicContact CG1-CB 4.41Å; V758-V784 HydrophobicContact CG1-CG2 3.82Å; V759-V784 PolarHBondContact O-N 3.16Å; M760-V784 CarbonylContact C-O 3.47Å; M760-V784 WeakPolarHBondContact CA-O 3.45Å; C761-V784 PolarHBondContact N-O 3.28Å; C761-V784 PolarHBondContact SG-O 2.88Å; V784-M797 HydrophobicContact CG1-CE 4.39Å; V784-V800 HydrophobicContact CG1-CG2 3.76Å; V784-L801 HydrophobicContact CG2-CD2 4.12Å
785	R	98.6	Very high	97.5	Very high	8 Å²	8	41.9 Å²	41.9	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.3	178.9	-71.6	173	-85.9	179.5	-7.1	111.3	S693 A743 I744 C761 Y766 E787	S693-R785 VanDerWaalsContact OG-CD 3.24Å; S693-R785 WeakPolarHBondContact OG-CD 3.25Å; S693-R785 PolarHBondContact OG-NH1 2.89Å; A743-R785 CarbonylContact C-O 3.55Å; A743-R785 WeakPolarHBondContact CA-O 3.47Å; A743-R785 WeakPolarHBondContact CB-O 3.29Å; I744-R785 HydrophobicContact CB-CB 4.3Å; I744-R785 PolarHBondContact N-O 3.26Å; I744-R785 PolarHBondContact O-N 3.42Å; C761-R785 CarbonylContact O-C 3.55Å; C761-R785 WeakPolarHBondContact O-CA 3.29Å; Y766-R785 HydrophobicContact CD1-CG 4.34Å; Y766-R785 HydrophobicContact CD2-CG 3.38Å; Y766-R785 HydrophobicContact CE2-CG 3.91Å; Y766-R785 VanDerWaalsContact CG-CD 3.46Å; Y766-R785 HydrophobicContact CG-CG 3.63Å; Y766-R785 PolarHBondContact OH-NH2 3.45Å; R785-E787 HydrophobicContact CB-CG 4.45Å
786	I	98.6	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99.7	169.6	-47.9	-171.8	0	0	0	107.8	M760 C761 S762 Q788 L789 F792 P793 M797 W812 F830	M760-I786 HydrophobicContact CB-CD1 4.47Å; C761-I786 PolarHBondContact O-N 3.45Å; S762-I786 WeakPolarHBondContact CB-O 3.39Å; S762-I786 PolarHBondContact OG-O 3.1Å; I786-Q788 WeakPolarHBondContact CG2-O 3.42Å; I786-L789 HydrophobicContact CB-CD2 4.15Å; I786-L789 HydrophobicContact CG2-CD2 3.86Å; I786-F792 HydrophobicContact CD1-CE2 4.32Å; I786-P793 HydrophobicContact CG2-CG 4.35Å; I786-M797 HydrophobicContact CD1-CE 3.83Å; I786-M797 HydrophobicContact CD1-SD 3.82Å; I786-M797 HydrophobicContact CG1-CE 4.17Å; I786-M797 HydrophobicContact CG1-SD 3.73Å; I786-W812 HydrophobicContact CD1-CZ3 3.92Å; I786-W812 HydrophobicContact CG1-CZ3 4.3Å; I786-F830 HydrophobicContact CD1-CD1 4.18Å; I786-F830 HydrophobicContact CD1-CE1 3.68Å
787	E	98.6	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-85.1	-26.2	-172.4	-60.8	-83.4	130.6	0	0	112.1	C690 V691 P692 S693 Q697 F740 L741 P742 I744 R785	C690-E787 CarbonylContact C-O 3.51Å; C690-E787 VanDerWaalsContact CA-O 3.29Å; C690-E787 WeakPolarHBondContact CA-O 3.35Å; V691-E787 PolarHBondContact N-O 2.93Å; P692-E787 WeakPolarHBondContact CA-OE2 3.24Å; S693-E787 WeakPolarHBondContact CB-OE1 3.21Å; S693-E787 PolarHBondContact N-OE1 3.04Å; S693-E787 PolarHBondContact N-OE2 2.71Å; S693-E787 PolarHBondContact OG-OE1 3.44Å; Q697-E787 VanDerWaalsContact CG-OE2 3.26Å; Q697-E787 WeakPolarHBondContact CG-OE2 3.48Å; Q697-E787 VanDerWaalsContact NE2-CB 3.27Å; Q697-E787 PolarHBondContact NE2-OE2 2.95Å; F740-E787 HydrophobicContact CZ-CB 4.45Å; L741-E787 WeakPolarHBondContact O-CB 3.26Å; P742-E787 PolarHBondContact O-N 3.36Å; I744-E787 HydrophobicContact CD1-CG 3.79Å; I744-E787 HydrophobicContact CG1-CG 3.89Å; R785-E787 HydrophobicContact CB-CG 4.45Å
788	Q	98.5	Very high	97.5	Very high	19 Å²	19	31.2 Å²	31.2	9%	0.089	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.6	170.1	-176.2	178.1	-72.8	0	0	108.8	F740 P742 I786 Y790 P791 P793	F740-Q788 HydrophobicContact CE1-CB 4.14Å; F740-Q788 HydrophobicContact CZ-CB 4.15Å; P742-Q788 HydrophobicContact CB-CB 4.18Å; P742-Q788 PolarHBondContact O-N 3.33Å; I786-Q788 WeakPolarHBondContact CG2-O 3.42Å; Q788-Y790 VanDerWaalsContact CG-O 3.29Å; Q788-Y790 WeakPolarHBondContact CG-O 3.5Å; Q788-P791 PolarHBondContact NE2-O 3.03Å; Q788-P793 WeakPolarHBondContact O-CD 3.44Å
789	L	98.5	Very high	97.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-30.5	177.4	-66.3	170.1	0	0	0	111.4	L675 L679 V689 V691 I786 W812 A822	L675-L789 HydrophobicContact CD1-CD1 4.14Å; L675-L789 HydrophobicContact CD2-CD1 3.72Å; L675-L789 HydrophobicContact CG-CD1 4.38Å; L679-L789 HydrophobicContact CD1-CD1 4.32Å; L679-L789 HydrophobicContact CD2-CB 4Å; V689-L789 PolarHBondContact O-N 2.89Å; V691-L789 HydrophobicContact CG2-CD1 3.61Å; V691-L789 HydrophobicContact CG2-CG 4.28Å; I786-L789 HydrophobicContact CB-CD2 4.15Å; I786-L789 HydrophobicContact CG2-CD2 3.86Å; L789-W812 HydrophobicContact CD2-CH2 4.14Å; L789-A822 HydrophobicContact CD1-CB 4.05Å; L789-A822 HydrophobicContact CD2-CB 4.13Å
790	Y	98.5	Very high	97.5	Very high	25 Å²	25	30.7 Å²	30.7	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.4	173.1	-169.1	-99.2	0	0	0	112.3	C682 A683 E684 Q685 M687 Q688 V689 Q788	C682-Y790 HydrophobicContact CB-CD1 3.66Å; C682-Y790 HydrophobicContact CB-CD2 3.61Å; C682-Y790 HydrophobicContact CB-CE1 3.7Å; C682-Y790 HydrophobicContact CB-CE2 3.64Å; C682-Y790 HydrophobicContact CB-CG 3.59Å; C682-Y790 WeakPolarHBondContact SG-CD1 3.47Å; A683-Y790 WeakPolarHBondContact CA-OH 3.38Å; A683-Y790 PolarHBondContact N-OH 2.84Å; A683-Y790 PolarHBondContact O-OH 3.16Å; E684-Y790 PolarHBondContact N-OH 2.87Å; Q685-Y790 WeakPolarHBondContact CA-OH 3.41Å; Q685-Y790 PolarHBondContact N-OH 2.95Å; M687-Y790 WeakPolarHBondContact O-CD1 3.41Å; M687-Y790 VanDerWaalsContact O-CE1 3.31Å; M687-Y790 WeakPolarHBondContact O-CE1 3.08Å; Q688-Y790 CarbonylContact C-O 3.59Å; Q688-Y790 VanDerWaalsContact CA-O 3.3Å; Q688-Y790 WeakPolarHBondContact CA-O 3.3Å; V689-Y790 PolarHBondContact N-O 2.65Å; V689-Y790 PolarHBondContact O-N 3.11Å; Q788-Y790 VanDerWaalsContact CG-O 3.29Å; Q788-Y790 WeakPolarHBondContact CG-O 3.5Å
791	P	97.4	Very high	97.5	Very high	19 Å²	19	29.5 Å²	29.5	12%	0.123	14%	0.142	C	C	.	.	S	Bend	cis	-57.9	141.5	-15.5	-24.3	35.7	0	0	0	111.7	Q788	Q788-P791 PolarHBondContact NE2-O 3.03Å
792	F	97.9	Very high	97.3	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.066	18%	0.175	C	C	.	.			trans	-66.2	130.6	-172.3	-173.3	-92.8	0	0	0	111.6	I786 H794 M797 H829 F830 V833	I786-F792 HydrophobicContact CD1-CE2 4.32Å; F792-H794 VanDerWaalsContact C-N 3.34Å; F792-H794 AromaticContact CD1-CD2 3.87Å; F792-H794 AromaticContact CD1-CG 3.79Å; F792-H794 AromaticContact CD1-ND1 3.69Å; F792-H794 PolarHBondContact O-N 3.44Å; F792-H794 PolarHBondContact O-ND1 3.1Å; F792-M797 HydrophobicContact CE1-CG 4.09Å; F792-M797 HydrophobicContact CZ-CG 3.86Å; F792-H829 HydrophobicContact CB-CB 4.34Å; F792-H829 WeakPolarHBondContact CB-CD2 3.34Å; F792-H829 HydrophobicContact CD1-CB 3.63Å; F792-H829 AromaticContact CD1-CG 3.9Å; F792-H829 HydrophobicContact CD2-CB 3.71Å; F792-H829 AromaticContact CD2-CD2 3.96Å; F792-H829 HydrophobicContact CE1-CB 3.76Å; F792-H829 HydrophobicContact CE2-CB 3.84Å; F792-H829 HydrophobicContact CG-CB 3.59Å; F792-H829 AromaticContact CG-CD2 3.57Å; F792-H829 AromaticContact CG-CG 3.67Å; F792-H829 HydrophobicContact CZ-CB 3.85Å; F792-F830 AromaticContact CE2-CD1 3.87Å; F792-F830 HydrophobicContact CE2-CD1 3.87Å; F792-F830 AromaticContact CE2-CE1 3.86Å; F792-F830 HydrophobicContact CE2-CE1 3.86Å; F792-F830 HydrophobicContact CZ-CD1 4.18Å; F792-V833 HydrophobicContact CE1-CG1 3.79Å; F792-V833 HydrophobicContact CZ-CG1 4.38Å; F792-V833 HydrophobicContact CZ-CG2 4.32Å
793	P	97.2	Very high	97.2	Very high	15 Å²	15	41.1 Å²	41.1	10%	0.097	20%	0.196	C	C	.	.			trans	-90.4	62.1	-167.5	35.5	-36.3	0	0	0	112.4	P742 I786 Q788 K795 A796 M797	P742-P793 HydrophobicContact CB-CB 3.46Å; P742-P793 VanDerWaalsContact CB-CB 3.46Å; P742-P793 HydrophobicContact CB-CG 4.01Å; P742-P793 HydrophobicContact CG-CB 4.48Å; I786-P793 HydrophobicContact CG2-CG 4.35Å; Q788-P793 WeakPolarHBondContact O-CD 3.44Å; P793-K795 VanDerWaalsContact C-N 3.26Å; P793-K795 PolarHBondContact O-N 2.7Å; P793-K795 VanDerWaalsContact O-N 3.08Å; P793-A796 HydrophobicContact CB-CB 4.28Å; P793-A796 PolarHBondContact O-N 3.13Å; P793-A796 VanDerWaalsContact O-N 3.13Å; P793-M797 HydrophobicContact CG-CG 4.26Å; P793-M797 PolarHBondContact O-N 2.77Å
794	H	96.6	Very high	97.1	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.347	20%	0.196	S	C	.	.	H	α-helix	trans	-44.9	-45.4	-175.9	-70.3	92.9	0	0	0	114.2	F792 Q798 H829 E832	F792-H794 VanDerWaalsContact C-N 3.34Å; F792-H794 AromaticContact CD1-CD2 3.87Å; F792-H794 AromaticContact CD1-CG 3.79Å; F792-H794 AromaticContact CD1-ND1 3.69Å; F792-H794 PolarHBondContact O-N 3.44Å; F792-H794 PolarHBondContact O-ND1 3.1Å; H794-Q798 WeakPolarHBondContact O-CB 3.42Å; H794-Q798 VanDerWaalsContact O-CG 3.24Å; H794-Q798 WeakPolarHBondContact O-CG 3.5Å; H794-Q798 PolarHBondContact O-N 3.47Å; H794-H829 AromaticContact CE1-CE1 3.02Å; H794-H829 PolarHBondContact CE1-CE1 2.92Å; H794-H829 AromaticContact CE1-CG 3.9Å; H794-H829 AromaticContact CE1-ND1 3.13Å; H794-H829 PolarHBondContact CE1-ND1 3.07Å; H794-H829 AromaticContact CE1-NE2 3.69Å; H794-H829 AromaticContact NE2-CE1 3.8Å; H794-H829 AromaticContact NE2-CG 3.79Å; H794-H829 AromaticContact NE2-ND1 2.99Å; H794-H829 PolarHBondContact NE2-ND1 3.05Å; H794-E832 IonicContact CD2-OE2 2.65Å; H794-E832 IonicContact CE1-OE2 3.29Å; H794-E832 IonicContact NE2-OE1 3.63Å; H794-E832 IonicContact NE2-OE2 3.27Å; H794-E832 PolarHBondContact NE2-OE2 3.48Å
795	K	96.4	Very high	96.9	Very high	161 Å²	161	43.7 Å²	43.7	70%	0.7	22%	0.217	S	C	*	.	H	α-helix	trans	-64.7	-52.8	-180	-68.1	-171.5	176.3	-173.1	0	112.9	P793 M797 Q798 E799	P793-K795 VanDerWaalsContact C-N 3.26Å; P793-K795 PolarHBondContact O-N 2.7Å; P793-K795 VanDerWaalsContact O-N 3.08Å; K795-M797 PolarHBondContact O-N 2.67Å; K795-Q798 WeakPolarHBondContact O-CB 3.41Å; K795-Q798 PolarHBondContact O-N 3Å; K795-E799 VanDerWaalsContact O-CG 3.3Å; K795-E799 WeakPolarHBondContact O-CG 3.34Å; K795-E799 PolarHBondContact O-N 3.46Å
796	A	97	Very high	96.7	Very high	16 Å²	16	47.8 Å²	47.8	13%	0.132	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-36.2	179.4	0	0	0	0	0	111.4	P742 A743 P793 E799 V800	P742-A796 HydrophobicContact CB-CB 4.44Å; A743-A796 HydrophobicContact CB-CB 4.2Å; P793-A796 HydrophobicContact CB-CB 4.28Å; P793-A796 PolarHBondContact O-N 3.13Å; P793-A796 VanDerWaalsContact O-N 3.13Å; A796-E799 PolarHBondContact O-N 2.89Å; A796-V800 WeakPolarHBondContact O-CG1 3.18Å; A796-V800 WeakPolarHBondContact O-CG2 3.39Å; A796-V800 PolarHBondContact O-N 3.19Å
797	M	97.5	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-43.5	172.7	-73	-57.4	-58.6	0	0	112.7	A743 M760 V784 I786 F792 P793 K795 E799 L801 V833	A743-M797 HydrophobicContact CB-CG 4.45Å; A743-M797 HydrophobicContact CB-SD 3.65Å; M760-M797 HydrophobicContact CG-CE 4.37Å; M760-M797 HydrophobicContact SD-CE 3.68Å; V784-M797 HydrophobicContact CG1-CE 4.39Å; I786-M797 HydrophobicContact CD1-CE 3.83Å; I786-M797 HydrophobicContact CD1-SD 3.82Å; I786-M797 HydrophobicContact CG1-CE 4.17Å; I786-M797 HydrophobicContact CG1-SD 3.73Å; F792-M797 HydrophobicContact CE1-CG 4.09Å; F792-M797 HydrophobicContact CZ-CG 3.86Å; P793-M797 HydrophobicContact CG-CG 4.26Å; P793-M797 PolarHBondContact O-N 2.77Å; K795-M797 PolarHBondContact O-N 2.67Å; M797-E799 VanDerWaalsContact C-N 3.34Å; M797-L801 HydrophobicContact CE-CD1 3.97Å; M797-L801 HydrophobicContact CE-CG 4.3Å; M797-L801 VanDerWaalsContact O-CB 3.25Å; M797-L801 WeakPolarHBondContact O-CB 3.19Å; M797-L801 WeakPolarHBondContact O-CG 3.24Å; M797-L801 PolarHBondContact O-N 3.34Å; M797-L801 VanDerWaalsContact O-N 3.09Å; M797-V833 HydrophobicContact CB-CB 4.16Å; M797-V833 HydrophobicContact CB-CG1 3.92Å; M797-V833 HydrophobicContact CB-CG2 4.26Å; M797-V833 HydrophobicContact CE-CG2 4.27Å
798	Q	95.1	Very high	96.5	Very high	107 Å²	107	53 Å²	53	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-41	175.4	-73.7	165.3	-10.4	0	0	111.7	H794 K795 Q802	H794-Q798 WeakPolarHBondContact O-CB 3.42Å; H794-Q798 VanDerWaalsContact O-CG 3.24Å; H794-Q798 WeakPolarHBondContact O-CG 3.5Å; H794-Q798 PolarHBondContact O-N 3.47Å; K795-Q798 WeakPolarHBondContact O-CB 3.41Å; K795-Q798 PolarHBondContact O-N 3Å; Q798-Q802 PolarHBondContact O-N 3.04Å; Q798-Q802 VanDerWaalsContact O-N 3.08Å
799	E	96	Very high	96.4	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-63.5	-51	178.1	-70.9	156.2	-160.8	0	0	111.8	K795 A796 M797 L801 Q802	K795-E799 VanDerWaalsContact O-CG 3.3Å; K795-E799 WeakPolarHBondContact O-CG 3.34Å; K795-E799 PolarHBondContact O-N 3.46Å; A796-E799 PolarHBondContact O-N 2.89Å; M797-E799 VanDerWaalsContact C-N 3.34Å; E799-L801 PolarHBondContact O-N 3.14Å; E799-Q802 PolarHBondContact O-N 3.25Å
800	V	95.8	Very high	96.4	Very high	26 Å²	26	52.8 Å²	52.8	16%	0.158	26%	0.258	C	S	.	.	H	α-helix	trans	-71.3	-26.9	-179.3	-57.9	0	0	0	0	113.8	V784 A796 Q803	V784-V800 HydrophobicContact CG1-CG2 3.76Å; A796-V800 WeakPolarHBondContact O-CG1 3.18Å; A796-V800 WeakPolarHBondContact O-CG2 3.39Å; A796-V800 PolarHBondContact O-N 3.19Å; V800-Q803 PolarHBondContact O-NE2 2.92Å; V800-Q803 VanDerWaalsContact O-NE2 3.08Å
801	L	96.3	Very high	96.4	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-87.2	-13	178.8	-65.9	-174.7	0	0	0	114	V758 M760 V784 M797 E799 Q803 F804 A805 F810 V833	V758-L801 HydrophobicContact CG1-CD2 3.96Å; M760-L801 HydrophobicContact SD-CD1 4.44Å; V784-L801 HydrophobicContact CG2-CD2 4.12Å; M797-L801 HydrophobicContact CE-CD1 3.97Å; M797-L801 HydrophobicContact CE-CG 4.3Å; M797-L801 VanDerWaalsContact O-CB 3.25Å; M797-L801 WeakPolarHBondContact O-CB 3.19Å; M797-L801 WeakPolarHBondContact O-CG 3.24Å; M797-L801 PolarHBondContact O-N 3.34Å; M797-L801 VanDerWaalsContact O-N 3.09Å; E799-L801 PolarHBondContact O-N 3.14Å; L801-Q803 PolarHBondContact O-N 3.01Å; L801-F804 CarbonylContact O-C 3.57Å; L801-F804 WeakPolarHBondContact O-CA 3.25Å; L801-F804 PolarHBondContact O-N 3.49Å; L801-A805 PolarHBondContact O-N 3.21Å; L801-F810 HydrophobicContact CD1-CE1 4.04Å; L801-F810 HydrophobicContact CD2-CE1 3.99Å; L801-V833 HydrophobicContact CD1-CG2 4.29Å
802	Q	95	Very high	96.4	Very high	151 Å²	151	51 Å²	51	71%	0.706	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.8	-38.9	-176.6	-173.3	176.4	1.6	0	0	112.9	Q798 E799 F804 A805	Q798-Q802 PolarHBondContact O-N 3.04Å; Q798-Q802 VanDerWaalsContact O-N 3.08Å; E799-Q802 PolarHBondContact O-N 3.25Å; Q802-F804 PolarHBondContact O-N 3.31Å; Q802-A805 WeakPolarHBondContact O-CB 3.27Å; Q802-A805 PolarHBondContact O-N 3.44Å
803	Q	94.9	Very high	96.5	Very high	92 Å²	92	50.2 Å²	50.2	43%	0.43	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.2	176.8	65.6	-169.5	-34.7	0	0	114.2	P752 V800 L801 H806	P752-Q803 WeakPolarHBondContact CB-O 3.2Å; P752-Q803 HydrophobicContact CG-CB 4.47Å; V800-Q803 PolarHBondContact O-NE2 2.92Å; V800-Q803 VanDerWaalsContact O-NE2 3.08Å; L801-Q803 PolarHBondContact O-N 3.01Å; Q803-H806 PolarHBondContact O-CE1 3.27Å
804	F	95.7	Very high	96.5	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-110.1	16.8	-179.9	-53.8	-56.1	0	0	0	112.5	E746 P752 V755 V758 A782 L801 Q802 H806 V807	E746-F804 HydrophobicContact CB-CE2 4.47Å; E746-F804 HydrophobicContact CB-CZ 4.22Å; P752-F804 HydrophobicContact CB-CD1 4.02Å; P752-F804 HydrophobicContact CB-CE1 3.89Å; P752-F804 HydrophobicContact CG-CE1 4.38Å; V755-F804 HydrophobicContact CB-CD1 4.08Å; V755-F804 HydrophobicContact CB-CE1 4.24Å; V755-F804 HydrophobicContact CG1-CD1 4.13Å; V755-F804 HydrophobicContact CG1-CE1 4.39Å; V755-F804 HydrophobicContact CG2-CD1 4.17Å; V755-F804 HydrophobicContact CG2-CE1 3.8Å; V758-F804 HydrophobicContact CG2-CB 3.72Å; V758-F804 HydrophobicContact CG2-CD2 3.99Å; V758-F804 HydrophobicContact CG2-CG 3.89Å; A782-F804 HydrophobicContact CB-CD1 4.44Å; A782-F804 HydrophobicContact CB-CD2 4.3Å; A782-F804 HydrophobicContact CB-CE1 3.87Å; A782-F804 HydrophobicContact CB-CE2 3.7Å; A782-F804 HydrophobicContact CB-CZ 3.47Å; A782-F804 VanDerWaalsContact CB-CZ 3.47Å; L801-F804 CarbonylContact O-C 3.57Å; L801-F804 WeakPolarHBondContact O-CA 3.25Å; L801-F804 PolarHBondContact O-N 3.49Å; Q802-F804 PolarHBondContact O-N 3.31Å; F804-H806 VanDerWaalsContact CA-CE1 3.44Å; F804-H806 WeakPolarHBondContact CA-CE1 3.39Å; F804-H806 AromaticContact CD1-CE1 3.87Å; F804-H806 PolarHBondContact O-N 3.01Å; F804-V807 HydrophobicContact CB-CG2 4.03Å; F804-V807 VanDerWaalsContact O-CB 3.23Å; F804-V807 WeakPolarHBondContact O-CB 3.35Å; F804-V807 WeakPolarHBondContact O-CG2 3.15Å; F804-V807 PolarHBondContact O-N 3.13Å
805	A	94.7	Very high	96.6	Very high	52 Å²	52	46.3 Å²	46.3	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.2	-172.3	0	0	0	0	0	115.3	L801 Q802 P835	L801-A805 PolarHBondContact O-N 3.21Å; Q802-A805 WeakPolarHBondContact O-CB 3.27Å; Q802-A805 PolarHBondContact O-N 3.44Å; A805-P835 HydrophobicContact CB-CG 4.45Å; A805-P835 WeakPolarHBondContact O-CB 3.22Å; A805-P835 WeakPolarHBondContact O-CG 3.39Å
806	H	95.4	Very high	96.7	Very high	94 Å²	94	39.4 Å²	39.4	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.8	171.3	59.3	-75	0	0	0	113.5	P752 V755 Q803 F804	P752-H806 PolarHBondContact O-CE1 3.05Å; P752-H806 PolarHBondContact O-NE2 2.97Å; V755-H806 PolarHBondContact O-NE2 2.86Å; Q803-H806 PolarHBondContact O-CE1 3.27Å; F804-H806 VanDerWaalsContact CA-CE1 3.44Å; F804-H806 WeakPolarHBondContact CA-CE1 3.39Å; F804-H806 AromaticContact CD1-CE1 3.87Å; F804-H806 PolarHBondContact O-N 3.01Å
807	V	96.8	Very high	96.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	19%	0.191	C	C	.	.			trans	-60.3	145.3	-177.6	174.2	0	0	0	0	110.9	V755 K756 V758 F804 D809 F810	V755-V807 HydrophobicContact CG1-CG2 4.11Å; K756-V807 WeakPolarHBondContact O-CG1 3.24Å; V758-V807 HydrophobicContact CG2-CB 4.44Å; V758-V807 HydrophobicContact CG2-CG1 4.21Å; V758-V807 HydrophobicContact CG2-CG2 4.27Å; F804-V807 HydrophobicContact CB-CG2 4.03Å; F804-V807 VanDerWaalsContact O-CB 3.23Å; F804-V807 WeakPolarHBondContact O-CB 3.35Å; F804-V807 WeakPolarHBondContact O-CG2 3.15Å; F804-V807 PolarHBondContact O-N 3.13Å; V807-D809 WeakPolarHBondContact CG1-O 3.4Å; V807-F810 HydrophobicContact CB-CE2 3.88Å; V807-F810 HydrophobicContact CB-CZ 4.16Å; V807-F810 HydrophobicContact CG1-CD2 4.1Å; V807-F810 HydrophobicContact CG1-CE2 3.68Å; V807-F810 HydrophobicContact CG1-CZ 4.2Å
808	K	95.9	Very high	96.8	Very high	104 Å²	104	41.1 Å²	41.1	45%	0.452	20%	0.204	S	C	.	.			trans	-120	-8	179	-60.2	-61.6	169.9	-159.1	0	114.8	F836 A838 S839	K808-F836 PolarHBondContact NZ-O 3.03Å; K808-A838 HydrophobicContact CD-CB 4.32Å; K808-A838 WeakPolarHBondContact O-CA 3.34Å; K808-S839 PolarHBondContact O-N 3.02Å; K808-S839 PolarHBondContact O-OG 3.25Å; K808-S839 VanDerWaalsContact O-OG 3.11Å
809	D	96.7	Very high	97	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.1	178.4	-159.2	44.9	0	0	0	109.9	R757 V758 V807 R841	R757-D809 VanDerWaalsContact CA-O 3.26Å; R757-D809 WeakPolarHBondContact CA-O 3.42Å; R757-D809 HydrophobicContact CB-CB 4.39Å; R757-D809 IonicContact CZ-OD2 2.81Å; R757-D809 IonicContact NE-OD2 2.64Å; R757-D809 PolarHBondContact NE-OD2 3.34Å; R757-D809 IonicContact NH2-OD2 3.27Å; R757-D809 PolarHBondContact NH2-OD2 2.82Å; V758-D809 PolarHBondContact N-O 3.25Å; V758-D809 VanDerWaalsContact N-O 3.09Å; V807-D809 WeakPolarHBondContact CG1-O 3.4Å; D809-R841 IonicContact OD1-CZ 2.77Å; D809-R841 VanDerWaalsContact OD1-CZ 3.28Å; D809-R841 IonicContact OD1-NE 2.77Å; D809-R841 PolarHBondContact OD1-NE 3.26Å; D809-R841 IonicContact OD1-NH2 2.72Å; D809-R841 PolarHBondContact OD1-NH2 2.76Å; D809-R841 IonicContact OD2-NE 3.17Å; D809-R841 IonicContact OD2-NH2 3.24Å
810	F	98.1	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.5	176.1	-75.3	-105.8	0	0	0	109.2	V758 M760 L801 V807 I834 P835 A838 S839 L840 R841	V758-F810 HydrophobicContact CB-CD1 3.74Å; V758-F810 HydrophobicContact CB-CE1 3.66Å; V758-F810 HydrophobicContact CB-CG 4.47Å; V758-F810 HydrophobicContact CB-CZ 4.32Å; V758-F810 HydrophobicContact CG1-CD1 4.18Å; V758-F810 HydrophobicContact CG1-CE1 4.06Å; V758-F810 HydrophobicContact CG2-CD1 4.47Å; V758-F810 HydrophobicContact CG2-CE1 3.93Å; V758-F810 HydrophobicContact CG2-CZ 4.18Å; V758-F810 WeakPolarHBondContact O-CA 3.44Å; M760-F810 HydrophobicContact CE-CB 4.38Å; M760-F810 HydrophobicContact CE-CD1 4.29Å; M760-F810 HydrophobicContact SD-CD1 4.48Å; L801-F810 HydrophobicContact CD1-CE1 4.04Å; L801-F810 HydrophobicContact CD2-CE1 3.99Å; V807-F810 HydrophobicContact CB-CE2 3.88Å; V807-F810 HydrophobicContact CB-CZ 4.16Å; V807-F810 HydrophobicContact CG1-CD2 4.1Å; V807-F810 HydrophobicContact CG1-CE2 3.68Å; V807-F810 HydrophobicContact CG1-CZ 4.2Å; F810-I834 HydrophobicContact CB-CG2 3.89Å; F810-I834 HydrophobicContact CD1-CG2 3.53Å; F810-I834 HydrophobicContact CD2-CB 4.28Å; F810-I834 HydrophobicContact CD2-CG2 4.01Å; F810-I834 HydrophobicContact CE1-CG2 4.02Å; F810-I834 HydrophobicContact CE2-CB 4.48Å; F810-I834 HydrophobicContact CE2-CG2 4.45Å; F810-I834 HydrophobicContact CG-CB 4.3Å; F810-I834 HydrophobicContact CG-CG2 3.53Å; F810-I834 HydrophobicContact CZ-CG2 4.47Å; F810-P835 VanDerWaalsContact CE2-CD 3.47Å; F810-P835 HydrophobicContact CE2-CG 4.12Å; F810-P835 VanDerWaalsContact CZ-CD 3.45Å; F810-P835 HydrophobicContact CZ-CG 4.07Å; F810-A838 HydrophobicContact CD2-CB 3.88Å; F810-A838 HydrophobicContact CE2-CB 3.98Å; F810-S839 WeakPolarHBondContact CB-O 3.48Å; F810-S839 PolarHBondContact N-O 3.37Å; F810-L840 HydrophobicContact CB-CD1 4.27Å; F810-L840 CarbonylContact O-C 3.56Å; F810-L840 WeakPolarHBondContact O-CA 3.36Å; F810-R841 PolarHBondContact O-N 2.8Å
811	V	98.2	Very high	97.2	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.7	177.8	178.6	0	0	0	0	108.7	R757 V758 V759 M760 R841 A843 A870	R757-V811 HydrophobicContact CG-CG2 4.15Å; V758-V811 PolarHBondContact O-N 3.44Å; V759-V811 HydrophobicContact CG2-CB 4.36Å; M760-V811 PolarHBondContact N-O 3.41Å; V811-R841 HydrophobicContact CG2-CB 4.35Å; V811-A843 HydrophobicContact CG1-CB 3.58Å; V811-A870 HydrophobicContact CG1-CB 4.47Å
812	W	98.5	Very high	97.3	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.9	157.7	175.1	-105.8	0	0	0	108.7	M760 I786 L789 Q814 A822 W823 F830 L840 R841 A843	M760-W812 HydrophobicContact CB-CE3 3.89Å; M760-W812 HydrophobicContact CB-CZ3 4.31Å; M760-W812 WeakPolarHBondContact O-CA 3.34Å; M760-W812 VanDerWaalsContact O-CE3 3.31Å; I786-W812 HydrophobicContact CD1-CZ3 3.92Å; I786-W812 HydrophobicContact CG1-CZ3 4.3Å; L789-W812 HydrophobicContact CD2-CH2 4.14Å; W812-Q814 HydrophobicContact CZ2-CB 4.31Å; W812-A822 HydrophobicContact CH2-CB 4.27Å; W812-A822 HydrophobicContact CZ2-CB 3.59Å; W812-W823 HydrophobicContact CB-CE3 3.96Å; W812-W823 HydrophobicContact CB-CZ3 3.87Å; W812-W823 AromaticContact CD1-CE3 3.62Å; W812-W823 AromaticContact CG-CE3 3.99Å; W812-W823 HydrophobicContact CG-CE3 3.99Å; W812-W823 HydrophobicContact CG-CZ3 4.4Å; W812-F830 HydrophobicContact CB-CD2 4.25Å; W812-F830 HydrophobicContact CB-CE2 4.17Å; W812-F830 HydrophobicContact CD2-CD2 4.22Å; W812-F830 AromaticContact CD2-CE2 3.34Å; W812-F830 HydrophobicContact CD2-CE2 3.34Å; W812-F830 AromaticContact CD2-CZ 3.57Å; W812-F830 HydrophobicContact CD2-CZ 3.57Å; W812-F830 AromaticContact CE2-CE2 3.81Å; W812-F830 AromaticContact CE2-CZ 3.87Å; W812-F830 HydrophobicContact CE3-CD2 4.35Å; W812-F830 HydrophobicContact CE3-CE1 4.05Å; W812-F830 AromaticContact CE3-CE2 3.6Å; W812-F830 HydrophobicContact CE3-CE2 3.6Å; W812-F830 AromaticContact CE3-CZ 3.41Å; W812-F830 HydrophobicContact CE3-CZ 3.41Å; W812-F830 VanDerWaalsContact CE3-CZ 3.41Å; W812-F830 HydrophobicContact CG-CD2 4.15Å; W812-F830 AromaticContact CG-CE2 3.58Å; W812-F830 HydrophobicContact CG-CE2 3.58Å; W812-F830 HydrophobicContact CG-CZ 4.3Å; W812-F830 AromaticContact CH2-CZ 3.9Å; W812-F830 HydrophobicContact CH2-CZ 3.9Å; W812-F830 HydrophobicContact CZ2-CE2 4.45Å; W812-F830 HydrophobicContact CZ2-CZ 4.05Å; W812-F830 HydrophobicContact CZ3-CE1 4.07Å; W812-F830 HydrophobicContact CZ3-CE2 4.24Å; W812-F830 AromaticContact CZ3-CZ 3.59Å; W812-F830 HydrophobicContact CZ3-CZ 3.59Å; W812-L840 HydrophobicContact CB-CD1 4.42Å; W812-R841 PolarHBondContact N-O 2.93Å; W812-A843 PolarHBondContact O-N 2.74Å
813	C	98.6	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.1	177.5	-174.5	0	0	0	0	110.7	V759 M760 C761 L769 A843 A870	V759-C813 HydrophobicContact CG1-CB 3.55Å; M760-C813 PolarHBondContact O-N 3.17Å; C761-C813 WeakPolarHBondContact CA-O 3.43Å; C761-C813 HydrophobicContact CB-CB 4.38Å; C761-C813 WeakPolarHBondContact CB-O 3.35Å; L769-C813 HydrophobicContact CD1-CB 4.15Å; C813-A843 WeakPolarHBondContact CA-O 3.46Å; C813-A870 HydrophobicContact CB-CB 4.04Å
814	Q	98.6	Very high	97.6	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157	177.5	65.5	171.4	54.2	0	0	112.1	W812 E816 P817 Q820 W823 Y842 A843 G844	W812-Q814 HydrophobicContact CZ2-CB 4.31Å; Q814-E816 WeakPolarHBondContact CB-OE2 3.45Å; Q814-E816 PolarHBondContact NE2-O 2.72Å; Q814-P817 PolarHBondContact NE2-O 2.41Å; Q814-P817 VanDerWaalsContact NE2-O 3.16Å; Q814-Q820 PolarHBondContact NE2-O 2.48Å; Q814-W823 VanDerWaalsContact OE1-N 3.13Å; Q814-Y842 HydrophobicContact CG-CE2 3.69Å; Q814-A843 PolarHBondContact N-O 2.83Å; Q814-A843 VanDerWaalsContact N-O 3.16Å; Q814-G844 VanDerWaalsContact O-CA 3.28Å; Q814-G844 WeakPolarHBondContact O-CA 3.28Å
815	E	98.2	Very high	97.5	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.023	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-30	176.9	-95.7	171.3	-160.7	0	0	112.4	Y663 K764 V765 R845 Q863	Y663-E815 WeakPolarHBondContact CB-OE2 3.38Å; Y663-E815 HydrophobicContact CD2-CB 3.89Å; Y663-E815 HydrophobicContact CG-CB 3.99Å; Y663-E815 PolarHBondContact N-OE2 2.96Å; K764-E815 WeakPolarHBondContact CD-OE2 3.22Å; K764-E815 WeakPolarHBondContact CG-OE1 3.43Å; K764-E815 WeakPolarHBondContact CG-OE2 3.44Å; K764-E815 IonicContact NZ-OE1 2.69Å; K764-E815 PolarHBondContact NZ-OE1 2.69Å; K764-E815 IonicContact NZ-OE2 3.63Å; V765-E815 HydrophobicContact CB-CG 3.98Å; V765-E815 HydrophobicContact CG2-CG 3.95Å; E815-R845 VanDerWaalsContact O-CD 3.26Å; E815-R845 WeakPolarHBondContact O-CD 3.38Å; E815-R845 WeakPolarHBondContact O-CG 3.05Å; E815-R845 PolarHBondContact O-NH1 3.09Å; E815-Q863 PolarHBondContact OE1-NE2 3.03Å
816	E	98.5	Very high	97.6	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.075	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147.4	-176.4	-51.1	94.8	110.4	0	0	111.3	Y663 L675 Q814 Q820 G821 Y842	Y663-E816 HydrophobicContact CD2-CG 4.5Å; Y663-E816 HydrophobicContact CE2-CB 4.28Å; Y663-E816 HydrophobicContact CE2-CG 3.66Å; L675-E816 WeakPolarHBondContact CD2-OE1 3.35Å; Q814-E816 WeakPolarHBondContact CB-OE2 3.45Å; Q814-E816 PolarHBondContact NE2-O 2.72Å; E816-Q820 HydrophobicContact CB-CB 3.99Å; E816-G821 WeakPolarHBondContact OE1-CA 3.31Å; E816-Y842 PolarHBondContact O-OH 2.52Å; E816-Y842 VanDerWaalsContact O-OH 3.07Å
817	P	98.5	Very high	97.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	150.9	169.7	-31.2	38.4	0	0	0	113.4	Y663 Q814 N819 Q820 R845 S848 P851	Y663-P817 WeakPolarHBondContact OH-CD 3.34Å; Q814-P817 PolarHBondContact NE2-O 2.41Å; Q814-P817 VanDerWaalsContact NE2-O 3.16Å; P817-N819 WeakPolarHBondContact CB-OD1 3.41Å; P817-N819 PolarHBondContact O-N 3.4Å; P817-Q820 HydrophobicContact CB-CB 4.41Å; P817-Q820 HydrophobicContact CB-CG 4.5Å; P817-Q820 CarbonylContact O-C 3.52Å; P817-Q820 WeakPolarHBondContact O-CA 3.34Å; P817-Q820 PolarHBondContact O-N 2.88Å; P817-Q820 VanDerWaalsContact O-O 3.12Å; P817-R845 CarbonylContact C-O 3.59Å; P817-R845 WeakPolarHBondContact CA-O 3.45Å; P817-R845 HydrophobicContact CG-CB 4.36Å; P817-S848 WeakPolarHBondContact CG-OG 3.37Å; P817-P851 WeakPolarHBondContact CD-O 3Å; P817-P851 WeakPolarHBondContact CG-O 3.14Å
818	L	98.3	Very high	97.5	Very high	51 Å²	51	28.8 Å²	28.8	27%	0.267	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-24	179.6	177.4	67.7	0	0	0	114.8	W823 Y824 Y842 R845 A847	L818-W823 VanDerWaalsContact CD1-CD1 3.48Å; L818-W823 HydrophobicContact CD1-CG 4.34Å; L818-Y824 WeakPolarHBondContact O-CE2 3.17Å; L818-Y842 WeakPolarHBondContact CA-OH 3.49Å; L818-Y842 HydrophobicContact CB-CE1 4.15Å; L818-Y842 HydrophobicContact CD1-CD1 3.76Å; L818-Y842 HydrophobicContact CD1-CD2 3.77Å; L818-Y842 HydrophobicContact CD1-CE1 3.77Å; L818-Y842 HydrophobicContact CD1-CE2 3.77Å; L818-Y842 HydrophobicContact CD1-CG 3.77Å; L818-Y842 PolarHBondContact N-OH 2.66Å; L818-R845 PolarHBondContact N-O 3.42Å; L818-A847 HydrophobicContact CB-CB 4.14Å
819	N	98.1	Very high	97.5	Very high	60 Å²	60	25.3 Å²	25.3	32%	0.321	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.4	176.2	67.2	-61.4	0	0	0	115.1	P817 Y824 A847 S848	P817-N819 WeakPolarHBondContact CB-OD1 3.41Å; P817-N819 PolarHBondContact O-N 3.4Å; N819-Y824 HydrophobicContact CB-CE2 4.16Å; N819-A847 HydrophobicContact CB-CB 4.13Å; N819-A847 WeakPolarHBondContact OD1-CA 3.26Å; N819-A847 WeakPolarHBondContact OD1-CB 3.45Å; N819-S848 PolarHBondContact ND2-O 3.12Å; N819-S848 PolarHBondContact OD1-N 3.43Å; N819-S848 PolarHBondContact OD1-O 3.27Å
820	Q	98.4	Very high	97.5	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.023	12%	0.116	C	C	.	.	S	Bend	trans	-137.2	176.9	-175.5	-69	175.2	61.6	0	0	109.8	E676 Q814 E816 P817 S848 S850	E676-Q820 HydrophobicContact CG-CB 4.45Å; E676-Q820 HydrophobicContact CG-CG 4.45Å; E676-Q820 WeakPolarHBondContact OE2-CA 3.43Å; E676-Q820 WeakPolarHBondContact OE2-CB 3.18Å; Q814-Q820 PolarHBondContact NE2-O 2.48Å; E816-Q820 HydrophobicContact CB-CB 3.99Å; P817-Q820 HydrophobicContact CB-CB 4.41Å; P817-Q820 HydrophobicContact CB-CG 4.5Å; P817-Q820 CarbonylContact O-C 3.52Å; P817-Q820 WeakPolarHBondContact O-CA 3.34Å; P817-Q820 PolarHBondContact O-N 2.88Å; P817-Q820 VanDerWaalsContact O-O 3.12Å; Q820-S848 PolarHBondContact NE2-O 3.41Å; Q820-S850 PolarHBondContact NE2-O 2.74Å
821	G	98	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-151.3	-178.8	0	0	0	0	0	113.2	E676 E816	E676-G821 WeakPolarHBondContact CA-O 3.42Å; E676-G821 WeakPolarHBondContact CB-O 3.38Å; E676-G821 PolarHBondContact OE2-N 3.34Å; E816-G821 WeakPolarHBondContact OE1-CA 3.31Å
822	A	98.4	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.5	-174.1	0	0	0	0	0	114.9	L679 L789 W812 Y824 C825 S826 F830	L679-A822 HydrophobicContact CD1-CB 3.98Å; L789-A822 HydrophobicContact CD1-CB 4.05Å; L789-A822 HydrophobicContact CD2-CB 4.13Å; W812-A822 HydrophobicContact CH2-CB 4.27Å; W812-A822 HydrophobicContact CZ2-CB 3.59Å; A822-Y824 PolarHBondContact O-N 3.19Å; A822-C825 PolarHBondContact O-N 2.84Å; A822-S826 WeakPolarHBondContact O-CB 3.43Å; A822-S826 PolarHBondContact O-N 3.4Å; A822-F830 HydrophobicContact CB-CZ 4.39Å
823	W	98.4	Very high	97.1	Very high	23 Å²	23	35.7 Å²	35.7	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-51.3	-61.7	-164.3	176.1	-117.2	0	0	0	114.5	W812 Q814 L818 C825 S826 Q827 F830 L840 Y842	W812-W823 HydrophobicContact CB-CE3 3.96Å; W812-W823 HydrophobicContact CB-CZ3 3.87Å; W812-W823 AromaticContact CD1-CE3 3.62Å; W812-W823 AromaticContact CG-CE3 3.99Å; W812-W823 HydrophobicContact CG-CE3 3.99Å; W812-W823 HydrophobicContact CG-CZ3 4.4Å; Q814-W823 VanDerWaalsContact OE1-N 3.13Å; L818-W823 VanDerWaalsContact CD1-CD1 3.48Å; L818-W823 HydrophobicContact CD1-CG 4.34Å; W823-C825 VanDerWaalsContact C-N 3.32Å; W823-C825 PolarHBondContact O-N 3.06Å; W823-S826 PolarHBondContact O-N 3.29Å; W823-Q827 HydrophobicContact CD2-CB 4.34Å; W823-Q827 HydrophobicContact CE3-CB 4.12Å; W823-Q827 HydrophobicContact CH2-CB 4.44Å; W823-Q827 HydrophobicContact CZ3-CB 4.18Å; W823-Q827 WeakPolarHBondContact O-CB 3.05Å; W823-Q827 VanDerWaalsContact O-CG 3.24Å; W823-Q827 WeakPolarHBondContact O-CG 3.17Å; W823-Q827 PolarHBondContact O-N 2.57Å; W823-F830 HydrophobicContact CE3-CD2 4.47Å; W823-L840 HydrophobicContact CH2-CD2 4.13Å; W823-L840 HydrophobicContact CH2-CG 4.18Å; W823-L840 HydrophobicContact CZ3-CD2 3.9Å; W823-L840 HydrophobicContact CZ3-CG 4.08Å; W823-Y842 HydrophobicContact CB-CD2 4.05Å; W823-Y842 HydrophobicContact CB-CE2 3.97Å; W823-Y842 AromaticContact CD2-CD2 3.6Å; W823-Y842 HydrophobicContact CD2-CD2 3.6Å; W823-Y842 HydrophobicContact CD2-CE2 4.42Å; W823-Y842 HydrophobicContact CD2-CG 4.38Å; W823-Y842 AromaticContact CE3-CD2 3.96Å; W823-Y842 HydrophobicContact CE3-CD2 3.96Å; W823-Y842 AromaticContact CG-CD2 3.64Å; W823-Y842 HydrophobicContact CG-CD2 3.64Å; W823-Y842 AromaticContact CG-CE2 3.99Å; W823-Y842 HydrophobicContact CG-CE2 3.99Å
824	Y	97.5	Very high	96.9	Very high	135 Å²	135	36.8 Å²	36.8	53%	0.529	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-35.5	-175.5	-79.2	-44.4	0	0	0	113.4	L818 N819 A822	L818-Y824 WeakPolarHBondContact O-CE2 3.17Å; N819-Y824 HydrophobicContact CB-CE2 4.16Å; A822-Y824 PolarHBondContact O-N 3.19Å
825	C	94.5	Very high	96.7	Very high	36 Å²	36	38 Å²	38	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-76.4	-40.1	-178.6	-64.8	0	0	0	0	112.6	L679 A822 W823 H828	L679-C825 HydrophobicContact CB-CB 3.7Å; L679-C825 HydrophobicContact CD1-CB 4.35Å; A822-C825 PolarHBondContact O-N 2.84Å; W823-C825 VanDerWaalsContact C-N 3.32Å; W823-C825 PolarHBondContact O-N 3.06Å; C825-H828 PolarHBondContact O-CE1 3.46Å; C825-H828 PolarHBondContact O-ND1 3.18Å
826	S	95.3	Very high	96.4	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-103.6	-10	-169.6	-58.1	0	0	0	0	114.9	A822 W823 H828 H829 F830	A822-S826 WeakPolarHBondContact O-CB 3.43Å; A822-S826 PolarHBondContact O-N 3.4Å; W823-S826 PolarHBondContact O-N 3.29Å; S826-H828 PolarHBondContact O-N 3.49Å; S826-H829 PolarHBondContact O-N 2.87Å; S826-H829 VanDerWaalsContact O-N 3.11Å; S826-F830 WeakPolarHBondContact O-CG 3.41Å; S826-F830 PolarHBondContact O-N 2.99Å
827	Q	95.2	Very high	96.1	Very high	44 Å²	44	49.8 Å²	49.8	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-17.4	179.8	61.2	164.5	-36.6	0	0	115.7	W823 R831	W823-Q827 HydrophobicContact CD2-CB 4.34Å; W823-Q827 HydrophobicContact CE3-CB 4.12Å; W823-Q827 HydrophobicContact CH2-CB 4.44Å; W823-Q827 HydrophobicContact CZ3-CB 4.18Å; W823-Q827 WeakPolarHBondContact O-CB 3.05Å; W823-Q827 VanDerWaalsContact O-CG 3.24Å; W823-Q827 WeakPolarHBondContact O-CG 3.17Å; W823-Q827 PolarHBondContact O-N 2.57Å; Q827-R831 WeakPolarHBondContact O-CG 2.85Å; Q827-R831 PolarHBondContact O-N 3.22Å; Q827-R831 PolarHBondContact O-NH1 2.97Å
828	H	96	Very high	96	Very high	93 Å²	93	50.7 Å²	50.7	43%	0.431	25%	0.254	S	S	.	.	H	α-helix	trans	-77.8	-52.5	174	65.8	-84.3	0	0	0	109.9	C825 S826 F830 R831 E832	C825-H828 PolarHBondContact O-CE1 3.46Å; C825-H828 PolarHBondContact O-ND1 3.18Å; S826-H828 PolarHBondContact O-N 3.49Å; H828-F830 VanDerWaalsContact C-N 3.29Å; H828-F830 PolarHBondContact O-N 2.97Å; H828-R831 WeakPolarHBondContact O-CA 3.24Å; H828-R831 PolarHBondContact O-N 3.24Å; H828-E832 WeakPolarHBondContact O-CG 3.12Å; H828-E832 PolarHBondContact O-N 2.95Å
829	H	95.8	Very high	95.9	Very high	31 Å²	31	50.9 Å²	50.9	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-55.9	-38.7	170.9	-66.1	-34	0	0	0	113.9	F792 H794 S826 R831 E832 V833	F792-H829 HydrophobicContact CB-CB 4.34Å; F792-H829 WeakPolarHBondContact CB-CD2 3.34Å; F792-H829 HydrophobicContact CD1-CB 3.63Å; F792-H829 AromaticContact CD1-CG 3.9Å; F792-H829 HydrophobicContact CD2-CB 3.71Å; F792-H829 AromaticContact CD2-CD2 3.96Å; F792-H829 HydrophobicContact CE1-CB 3.76Å; F792-H829 HydrophobicContact CE2-CB 3.84Å; F792-H829 HydrophobicContact CG-CB 3.59Å; F792-H829 AromaticContact CG-CD2 3.57Å; F792-H829 AromaticContact CG-CG 3.67Å; F792-H829 HydrophobicContact CZ-CB 3.85Å; H794-H829 AromaticContact CE1-CE1 3.02Å; H794-H829 PolarHBondContact CE1-CE1 2.92Å; H794-H829 AromaticContact CE1-CG 3.9Å; H794-H829 AromaticContact CE1-ND1 3.13Å; H794-H829 PolarHBondContact CE1-ND1 3.07Å; H794-H829 AromaticContact CE1-NE2 3.69Å; H794-H829 AromaticContact NE2-CE1 3.8Å; H794-H829 AromaticContact NE2-CG 3.79Å; H794-H829 AromaticContact NE2-ND1 2.99Å; H794-H829 PolarHBondContact NE2-ND1 3.05Å; S826-H829 PolarHBondContact O-N 2.87Å; S826-H829 VanDerWaalsContact O-N 3.11Å; H829-R831 VanDerWaalsContact C-N 3.28Å; H829-R831 PolarHBondContact O-N 3.46Å; H829-E832 WeakPolarHBondContact CA-OE2 3.16Å; H829-E832 IonicContact CE1-OE2 2.93Å; H829-E832 IonicContact CG-OE2 3.59Å; H829-E832 IonicContact ND1-OE2 2.83Å; H829-E832 PolarHBondContact ND1-OE2 3.34Å; H829-E832 WeakPolarHBondContact O-CB 3.38Å; H829-E832 PolarHBondContact O-N 3.5Å; H829-E832 VanDerWaalsContact O-N 3.11Å; H829-V833 PolarHBondContact O-N 2.95Å
830	F	96.6	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-38	173.9	-59.5	-22.3	0	0	0	111.9	M760 I786 F792 W812 A822 W823 S826 H828 E832 I834 L840	M760-F830 HydrophobicContact CE-CB 4.32Å; I786-F830 HydrophobicContact CD1-CD1 4.18Å; I786-F830 HydrophobicContact CD1-CE1 3.68Å; F792-F830 AromaticContact CE2-CD1 3.87Å; F792-F830 HydrophobicContact CE2-CD1 3.87Å; F792-F830 AromaticContact CE2-CE1 3.86Å; F792-F830 HydrophobicContact CE2-CE1 3.86Å; F792-F830 HydrophobicContact CZ-CD1 4.18Å; W812-F830 HydrophobicContact CB-CD2 4.25Å; W812-F830 HydrophobicContact CB-CE2 4.17Å; W812-F830 HydrophobicContact CD2-CD2 4.22Å; W812-F830 AromaticContact CD2-CE2 3.34Å; W812-F830 HydrophobicContact CD2-CE2 3.34Å; W812-F830 AromaticContact CD2-CZ 3.57Å; W812-F830 HydrophobicContact CD2-CZ 3.57Å; W812-F830 AromaticContact CE2-CE2 3.81Å; W812-F830 AromaticContact CE2-CZ 3.87Å; W812-F830 HydrophobicContact CE3-CD2 4.35Å; W812-F830 HydrophobicContact CE3-CE1 4.05Å; W812-F830 AromaticContact CE3-CE2 3.6Å; W812-F830 HydrophobicContact CE3-CE2 3.6Å; W812-F830 AromaticContact CE3-CZ 3.41Å; W812-F830 HydrophobicContact CE3-CZ 3.41Å; W812-F830 VanDerWaalsContact CE3-CZ 3.41Å; W812-F830 HydrophobicContact CG-CD2 4.15Å; W812-F830 AromaticContact CG-CE2 3.58Å; W812-F830 HydrophobicContact CG-CE2 3.58Å; W812-F830 HydrophobicContact CG-CZ 4.3Å; W812-F830 AromaticContact CH2-CZ 3.9Å; W812-F830 HydrophobicContact CH2-CZ 3.9Å; W812-F830 HydrophobicContact CZ2-CE2 4.45Å; W812-F830 HydrophobicContact CZ2-CZ 4.05Å; W812-F830 HydrophobicContact CZ3-CE1 4.07Å; W812-F830 HydrophobicContact CZ3-CE2 4.24Å; W812-F830 AromaticContact CZ3-CZ 3.59Å; W812-F830 HydrophobicContact CZ3-CZ 3.59Å; A822-F830 HydrophobicContact CB-CZ 4.39Å; W823-F830 HydrophobicContact CE3-CD2 4.47Å; S826-F830 WeakPolarHBondContact O-CG 3.41Å; S826-F830 PolarHBondContact O-N 2.99Å; H828-F830 VanDerWaalsContact C-N 3.29Å; H828-F830 PolarHBondContact O-N 2.97Å; F830-E832 VanDerWaalsContact C-N 3.34Å; F830-I834 WeakPolarHBondContact O-CG2 3.48Å; F830-I834 PolarHBondContact O-N 3.32Å; F830-L840 HydrophobicContact CB-CD1 4.47Å; F830-L840 HydrophobicContact CB-CD2 3.57Å; F830-L840 HydrophobicContact CD2-CD2 4.33Å; F830-L840 HydrophobicContact CG-CD2 4.48Å
831	R	96.3	Very high	95.7	Very high	123 Å²	123	53.4 Å²	53.4	46%	0.464	27%	0.267	S	S	.	.	H	α-helix	trans	-75.6	-19.9	175.7	-69.6	-178.7	-168.2	97.9	-6.2	113.6	Q827 H828 H829 L840	Q827-R831 WeakPolarHBondContact O-CG 2.85Å; Q827-R831 PolarHBondContact O-N 3.22Å; Q827-R831 PolarHBondContact O-NH1 2.97Å; H828-R831 WeakPolarHBondContact O-CA 3.24Å; H828-R831 PolarHBondContact O-N 3.24Å; H829-R831 VanDerWaalsContact C-N 3.28Å; H829-R831 PolarHBondContact O-N 3.46Å; R831-L840 HydrophobicContact CG-CB 4.39Å; R831-L840 HydrophobicContact CG-CD2 3.83Å
832	E	94.5	Very high	95.7	Very high	105 Å²	105	55.7 Å²	55.7	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-77.1	-23.8	175.1	-68.9	167.4	171.4	0	0	113.2	H794 H828 H829 F830	H794-E832 IonicContact CD2-OE2 2.65Å; H794-E832 IonicContact CE1-OE2 3.29Å; H794-E832 IonicContact NE2-OE1 3.63Å; H794-E832 IonicContact NE2-OE2 3.27Å; H794-E832 PolarHBondContact NE2-OE2 3.48Å; H828-E832 WeakPolarHBondContact O-CG 3.12Å; H828-E832 PolarHBondContact O-N 2.95Å; H829-E832 WeakPolarHBondContact CA-OE2 3.16Å; H829-E832 IonicContact CE1-OE2 2.93Å; H829-E832 IonicContact CG-OE2 3.59Å; H829-E832 IonicContact ND1-OE2 2.83Å; H829-E832 PolarHBondContact ND1-OE2 3.34Å; H829-E832 WeakPolarHBondContact O-CB 3.38Å; H829-E832 PolarHBondContact O-N 3.5Å; H829-E832 VanDerWaalsContact O-N 3.11Å; F830-E832 VanDerWaalsContact C-N 3.34Å
833	V	95	Very high	95.7	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-103.8	-16.8	-176.9	-61.8	0	0	0	0	115.4	F792 M797 L801 H829	F792-V833 HydrophobicContact CE1-CG1 3.79Å; F792-V833 HydrophobicContact CZ-CG1 4.38Å; F792-V833 HydrophobicContact CZ-CG2 4.32Å; M797-V833 HydrophobicContact CB-CB 4.16Å; M797-V833 HydrophobicContact CB-CG1 3.92Å; M797-V833 HydrophobicContact CB-CG2 4.26Å; M797-V833 HydrophobicContact CE-CG2 4.27Å; L801-V833 HydrophobicContact CD1-CG2 4.29Å; H829-V833 PolarHBondContact O-N 2.95Å
834	I	95.3	Very high	95.7	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.118	28%	0.28	C	S	.	.	S	Bend	trans	-73.2	152	174.6	60.9	175	0	0	0	111.8	M760 F810 F830 A838 L840	M760-I834 HydrophobicContact CE-CG2 4.17Å; F810-I834 HydrophobicContact CB-CG2 3.89Å; F810-I834 HydrophobicContact CD1-CG2 3.53Å; F810-I834 HydrophobicContact CD2-CB 4.28Å; F810-I834 HydrophobicContact CD2-CG2 4.01Å; F810-I834 HydrophobicContact CE1-CG2 4.02Å; F810-I834 HydrophobicContact CE2-CB 4.48Å; F810-I834 HydrophobicContact CE2-CG2 4.45Å; F810-I834 HydrophobicContact CG-CB 4.3Å; F810-I834 HydrophobicContact CG-CG2 3.53Å; F810-I834 HydrophobicContact CZ-CG2 4.47Å; F830-I834 WeakPolarHBondContact O-CG2 3.48Å; F830-I834 PolarHBondContact O-N 3.32Å; I834-A838 HydrophobicContact CB-CB 4.37Å; I834-A838 HydrophobicContact CD1-CB 4.33Å; I834-L840 HydrophobicContact CD1-CB 4.09Å
835	P	93.8	Very high	95.7	Very high	27 Å²	27	49.3 Å²	49.3	18%	0.175	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.2	178.2	-24	34.8	0	0	0	113.1	A805 F810 G837 A838	A805-P835 HydrophobicContact CB-CG 4.45Å; A805-P835 WeakPolarHBondContact O-CB 3.22Å; A805-P835 WeakPolarHBondContact O-CG 3.39Å; F810-P835 VanDerWaalsContact CE2-CD 3.47Å; F810-P835 HydrophobicContact CE2-CG 4.12Å; F810-P835 VanDerWaalsContact CZ-CD 3.45Å; F810-P835 HydrophobicContact CZ-CG 4.07Å; P835-G837 PolarHBondContact O-N 2.76Å; P835-A838 HydrophobicContact CB-CB 4.45Å; P835-A838 WeakPolarHBondContact O-CB 3.36Å; P835-A838 PolarHBondContact O-N 3Å
836	F	92.7	Very high	95.9	Very high	206 Å²	206	51.8 Å²	51.8	90%	0.904	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	132.9	175.5	-176.8	-98.3	0	0	0	111.6	K808 A838	K808-F836 PolarHBondContact NZ-O 3.03Å; F836-A838 VanDerWaalsContact C-N 3.26Å; F836-A838 PolarHBondContact O-N 3.27Å
837	G	91.9	Very high	96	Very high	63 Å²	63	54.6 Å²	54.6	65%	0.649	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	7	-175.2	0	0	0	0	0	115.3	P835	P835-G837 PolarHBondContact O-N 2.76Å
838	A	95.8	Very high	96.1	Very high	20 Å²	20	54.5 Å²	54.5	17%	0.165	30%	0.299	C	S	.	.			trans	-79.2	157.8	164.8	0	0	0	0	0	111.1	K808 F810 I834 P835 F836	K808-A838 HydrophobicContact CD-CB 4.32Å; K808-A838 WeakPolarHBondContact O-CA 3.34Å; F810-A838 HydrophobicContact CD2-CB 3.88Å; F810-A838 HydrophobicContact CE2-CB 3.98Å; I834-A838 HydrophobicContact CB-CB 4.37Å; I834-A838 HydrophobicContact CD1-CB 4.33Å; P835-A838 HydrophobicContact CB-CB 4.45Å; P835-A838 WeakPolarHBondContact O-CB 3.36Å; P835-A838 PolarHBondContact O-N 3Å; F836-A838 VanDerWaalsContact C-N 3.26Å; F836-A838 PolarHBondContact O-N 3.27Å
839	S	95.8	Very high	96.2	Very high	55 Å²	55	54.9 Å²	54.9	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.5	176.5	65.5	0	0	0	0	111.2	K808 F810	K808-S839 PolarHBondContact O-N 3.02Å; K808-S839 PolarHBondContact O-OG 3.25Å; K808-S839 VanDerWaalsContact O-OG 3.11Å; F810-S839 WeakPolarHBondContact CB-O 3.48Å; F810-S839 PolarHBondContact N-O 3.37Å
840	L	97.3	Very high	96.3	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.147	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.1	173.4	-178.9	66.3	0	0	0	109.7	M760 F810 W812 W823 F830 R831 I834	M760-L840 HydrophobicContact CE-CD1 3.7Å; F810-L840 HydrophobicContact CB-CD1 4.27Å; F810-L840 CarbonylContact O-C 3.56Å; F810-L840 WeakPolarHBondContact O-CA 3.36Å; W812-L840 HydrophobicContact CB-CD1 4.42Å; W823-L840 HydrophobicContact CH2-CD2 4.13Å; W823-L840 HydrophobicContact CH2-CG 4.18Å; W823-L840 HydrophobicContact CZ3-CD2 3.9Å; W823-L840 HydrophobicContact CZ3-CG 4.08Å; F830-L840 HydrophobicContact CB-CD1 4.47Å; F830-L840 HydrophobicContact CB-CD2 3.57Å; F830-L840 HydrophobicContact CD2-CD2 4.33Å; F830-L840 HydrophobicContact CG-CD2 4.48Å; R831-L840 HydrophobicContact CG-CB 4.39Å; R831-L840 HydrophobicContact CG-CD2 3.83Å; I834-L840 HydrophobicContact CD1-CB 4.09Å
841	R	96.1	Very high	96.4	Very high	91 Å²	91	56 Å²	56	34%	0.343	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.2	171.9	-45.7	-169.3	-162.8	-154.6	12.4	111	D809 F810 V811 W812 E874	D809-R841 IonicContact OD1-CZ 2.77Å; D809-R841 VanDerWaalsContact OD1-CZ 3.28Å; D809-R841 IonicContact OD1-NE 2.77Å; D809-R841 PolarHBondContact OD1-NE 3.26Å; D809-R841 IonicContact OD1-NH2 2.72Å; D809-R841 PolarHBondContact OD1-NH2 2.76Å; D809-R841 IonicContact OD2-NE 3.17Å; D809-R841 IonicContact OD2-NH2 3.24Å; F810-R841 PolarHBondContact O-N 2.8Å; V811-R841 HydrophobicContact CG2-CB 4.35Å; W812-R841 PolarHBondContact N-O 2.93Å; R841-E874 IonicContact CZ-OE2 3.28Å; R841-E874 IonicContact NH1-OE1 2.7Å; R841-E874 IonicContact NH1-OE2 3.36Å; R841-E874 PolarHBondContact NH1-OE2 2.93Å; R841-E874 IonicContact NH2-OE2 3.6Å; R841-E874 PolarHBondContact NH2-OE2 3.35Å
842	Y	97.6	Very high	96.4	Very high	48 Å²	48	50.3 Å²	50.3	19%	0.188	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	171.1	170.7	-85.9	0	0	0	109.1	Q814 E816 L818 W823 G844 R845	Q814-Y842 HydrophobicContact CG-CE2 3.69Å; E816-Y842 PolarHBondContact O-OH 2.52Å; E816-Y842 VanDerWaalsContact O-OH 3.07Å; L818-Y842 WeakPolarHBondContact CA-OH 3.49Å; L818-Y842 HydrophobicContact CB-CE1 4.15Å; L818-Y842 HydrophobicContact CD1-CD1 3.76Å; L818-Y842 HydrophobicContact CD1-CD2 3.77Å; L818-Y842 HydrophobicContact CD1-CE1 3.77Å; L818-Y842 HydrophobicContact CD1-CE2 3.77Å; L818-Y842 HydrophobicContact CD1-CG 3.77Å; L818-Y842 PolarHBondContact N-OH 2.66Å; W823-Y842 HydrophobicContact CB-CD2 4.05Å; W823-Y842 HydrophobicContact CB-CE2 3.97Å; W823-Y842 AromaticContact CD2-CD2 3.6Å; W823-Y842 HydrophobicContact CD2-CD2 3.6Å; W823-Y842 HydrophobicContact CD2-CE2 4.42Å; W823-Y842 HydrophobicContact CD2-CG 4.38Å; W823-Y842 AromaticContact CE3-CD2 3.96Å; W823-Y842 HydrophobicContact CE3-CD2 3.96Å; W823-Y842 AromaticContact CG-CD2 3.64Å; W823-Y842 HydrophobicContact CG-CD2 3.64Å; W823-Y842 AromaticContact CG-CE2 3.99Å; W823-Y842 HydrophobicContact CG-CE2 3.99Å; Y842-G844 WeakPolarHBondContact OH-CA 3.46Å; Y842-R845 PolarHBondContact OH-N 3.43Å; Y842-R845 PolarHBondContact OH-O 2.74Å; Y842-R845 VanDerWaalsContact OH-O 3.12Å
843	A	98.1	Very high	96.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.1	164.3	0	0	0	0	0	108.7	V811 W812 C813 Q814 D869 A870	V811-A843 HydrophobicContact CG1-CB 3.58Å; W812-A843 PolarHBondContact O-N 2.74Å; C813-A843 WeakPolarHBondContact CA-O 3.46Å; Q814-A843 PolarHBondContact N-O 2.83Å; Q814-A843 VanDerWaalsContact N-O 3.16Å; A843-D869 WeakPolarHBondContact CB-OD2 3.35Å; A843-A870 HydrophobicContact CB-CB 3.8Å
844	G	97.9	Very high	96.7	Very high	18 Å²	18	49 Å²	49	19%	0.186	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-170.8	-174.4	0	0	0	0	0	113.1	Q814 Y842	Q814-G844 VanDerWaalsContact O-CA 3.28Å; Q814-G844 WeakPolarHBondContact O-CA 3.28Å; Y842-G844 WeakPolarHBondContact OH-CA 3.46Å
845	R	98.4	Very high	96.7	Very high	6 Å²	6	56.3 Å²	56.3	2%	0.023	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.9	-177.5	-74.6	-173.2	169.6	74.4	11.1	111.9	E815 P817 L818 Y842 H859 Q862 Q863 L866	E815-R845 VanDerWaalsContact O-CD 3.26Å; E815-R845 WeakPolarHBondContact O-CD 3.38Å; E815-R845 WeakPolarHBondContact O-CG 3.05Å; E815-R845 PolarHBondContact O-NH1 3.09Å; P817-R845 CarbonylContact C-O 3.59Å; P817-R845 WeakPolarHBondContact CA-O 3.45Å; P817-R845 HydrophobicContact CG-CB 4.36Å; L818-R845 PolarHBondContact N-O 3.42Å; Y842-R845 PolarHBondContact OH-N 3.43Å; Y842-R845 PolarHBondContact OH-O 2.74Å; Y842-R845 VanDerWaalsContact OH-O 3.12Å; R845-H859 PolarHBondContact NH2-CE1 2.68Å; R845-H859 VanDerWaalsContact NH2-CE1 3.29Å; R845-H859 PolarHBondContact NH2-ND1 2.92Å; R845-H859 VanDerWaalsContact NH2-ND1 3.17Å; R845-H859 PolarHBondContact NH2-O 2.94Å; R845-H859 VanDerWaalsContact NH2-O 3.09Å; R845-Q862 HydrophobicContact CG-CB 4.28Å; R845-Q863 VanDerWaalsContact CZ-OE1 3.29Å; R845-L866 HydrophobicContact CG-CD2 3.92Å
846	P	98	Very high	96.8	Very high	88 Å²	88	59 Å²	59	57%	0.571	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-60.8	151.7	171.8	28.1	-35.4	0	0	0	110.7
847	A	98.3	Very high	97	Very high	62 Å²	62	53.4 Å²	53.4	51%	0.512	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-58.2	138.2	-177.7	0	0	0	0	0	112.6	L818 N819	L818-A847 HydrophobicContact CB-CB 4.14Å; N819-A847 HydrophobicContact CB-CB 4.13Å; N819-A847 WeakPolarHBondContact OD1-CA 3.26Å; N819-A847 WeakPolarHBondContact OD1-CB 3.45Å
848	S	97.9	Very high	97.3	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	33%	0.33	S	S	.	.			trans	-147.8	149.2	-179.6	57.2	0	0	0	0	112.5	P817 N819 Q820 S850	P817-S848 WeakPolarHBondContact CG-OG 3.37Å; N819-S848 PolarHBondContact ND2-O 3.12Å; N819-S848 PolarHBondContact OD1-N 3.43Å; N819-S848 PolarHBondContact OD1-O 3.27Å; Q820-S848 PolarHBondContact NE2-O 3.41Å; S848-S850 WeakPolarHBondContact CB-O 3.31Å; S848-S850 PolarHBondContact OG-O 3.31Å
849	A	97.6	Very high	97.4	Very high	101 Å²	101	52.9 Å²	52.9	84%	0.835	33%	0.325	S	S	*	.	S	Bend	trans	-73.8	-37.7	173.9	0	0	0	0	0	112.1
850	S	97.8	Very high	97.4	Very high	51 Å²	51	55.8 Å²	55.8	36%	0.357	33%	0.333	S	S	.	.	S	Bend	trans	-72.5	141.8	167.4	-169.5	0	0	0	0	110	P668 Q820 S848 A852	P668-S850 VanDerWaalsContact CB-OG 3.29Å; P668-S850 WeakPolarHBondContact CB-OG 3.48Å; Q820-S850 PolarHBondContact NE2-O 2.74Å; S848-S850 WeakPolarHBondContact CB-O 3.31Å; S848-S850 PolarHBondContact OG-O 3.31Å; S850-A852 PolarHBondContact OG-O 3.36Å
851	P	97.7	Very high	97.4	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	35%	0.354	C	S	.	.	S	Bend	trans	-60.9	-57.5	173.9	-22.6	32.8	0	0	0	112.5	Y663 P668 P817	Y663-P851 WeakPolarHBondContact CE1-O 3.47Å; P668-P851 WeakPolarHBondContact O-CB 3.43Å; P817-P851 WeakPolarHBondContact CD-O 3Å; P817-P851 WeakPolarHBondContact CG-O 3.14Å
852	A	98.1	Very high	97.5	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	35%	0.346	C	S	.	.	S	Bend	trans	-120.3	173.1	174.9	0	0	0	0	0	112	Y663 S671 S850	Y663-A852 HydrophobicContact CD1-CB 4.06Å; Y663-A852 HydrophobicContact CE1-CB 3.97Å; S671-A852 WeakPolarHBondContact OG-CB 2.86Å; S850-A852 PolarHBondContact OG-O 3.36Å
853	V	97.4	Very high	97.5	Very high	39 Å²	39	57 Å²	57	24%	0.236	34%	0.341	C	S	.	.			trans	-86.7	141.3	171	-63.6	0	0	0	0	110.4	Y855 V858 H859	V853-Y855 PolarHBondContact O-N 2.87Å; V853-V858 HydrophobicContact CB-CG1 4.38Å; V853-V858 HydrophobicContact CG1-CG1 4.19Å; V853-V858 HydrophobicContact CG2-CB 4.03Å; V853-V858 HydrophobicContact CG2-CG1 4.06Å; V853-H859 HydrophobicContact CG2-CB 3.72Å
854	G	97	Very high	97.5	Very high	53 Å²	53	60.8 Å²	60.8	55%	0.546	36%	0.359	S	S	.	.	S	Bend	trans	-74.4	-4.3	178.9	0	0	0	0	0	115.5
855	Y	95.8	Very high	97.4	Very high	175 Å²	175	63.9 Å²	63.9	69%	0.686	37%	0.371	S	S	*	.			trans	-113.2	116.2	-176.2	-58.3	-61.5	0	0	0	111.4	V853 S857 V858 H859	V853-Y855 PolarHBondContact O-N 2.87Å; Y855-S857 VanDerWaalsContact C-N 3.28Å; Y855-S857 PolarHBondContact O-N 3.27Å; Y855-V858 PolarHBondContact O-N 2.69Å; Y855-H859 PolarHBondContact O-N 3.4Å
856	M	96.5	Very high	97.4	Very high	85 Å²	85	63.9 Å²	63.9	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-51.5	-42.1	179.9	-179.9	60.2	71.7	0	0	113.3	E664 V858 H859 Q860	E664-M856 WeakPolarHBondContact O-CE 3.35Å; M856-V858 VanDerWaalsContact C-N 3.35Å; M856-V858 PolarHBondContact O-N 3.21Å; M856-H859 PolarHBondContact O-N 3.06Å; M856-Q860 HydrophobicContact CG-CG 4.3Å; M856-Q860 WeakPolarHBondContact O-CB 3Å; M856-Q860 WeakPolarHBondContact O-CG 3.38Å; M856-Q860 PolarHBondContact O-N 2.9Å; M856-Q860 HydrophobicContact SD-CG 3.92Å
857	S	96.8	Very high	97.4	Very high	87 Å²	87	60 Å²	60	61%	0.608	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-36.8	179.2	51.5	0	0	0	0	113.3	Y855 K861	Y855-S857 VanDerWaalsContact C-N 3.28Å; Y855-S857 PolarHBondContact O-N 3.27Å; S857-K861 WeakPolarHBondContact O-CB 3.24Å; S857-K861 PolarHBondContact O-N 3.23Å; S857-K861 VanDerWaalsContact O-N 3.14Å
858	V	97.1	Very high	97.3	Very high	61 Å²	61	60.5 Å²	60.5	37%	0.37	34%	0.34	S	S	.	.	H	α-helix	trans	-73.7	-40.4	175.2	-176.2	0	0	0	0	110.2	V853 Y855 M856 K861 Q862	V853-V858 HydrophobicContact CB-CG1 4.38Å; V853-V858 HydrophobicContact CG1-CG1 4.19Å; V853-V858 HydrophobicContact CG2-CB 4.03Å; V853-V858 HydrophobicContact CG2-CG1 4.06Å; Y855-V858 PolarHBondContact O-N 2.69Å; M856-V858 VanDerWaalsContact C-N 3.35Å; M856-V858 PolarHBondContact O-N 3.21Å; V858-K861 PolarHBondContact O-N 3.47Å; V858-Q862 WeakPolarHBondContact O-CB 3.31Å; V858-Q862 VanDerWaalsContact O-CG 3.32Å; V858-Q862 WeakPolarHBondContact O-CG 3.41Å; V858-Q862 PolarHBondContact O-N 3.43Å
859	H	97.8	Very high	97.3	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-48.6	175.9	162.4	70.4	0	0	0	112	Y663 G665 R845 V853 Y855 M856 Q862 Q863	Y663-H859 PolarHBondContact O-CE1 2.94Å; Y663-H859 PolarHBondContact O-NE2 3.44Å; G665-H859 WeakPolarHBondContact CA-CD2 3.31Å; G665-H859 VanDerWaalsContact CA-CG 3.42Å; G665-H859 PolarHBondContact N-CD2 3.35Å; G665-H859 VanDerWaalsContact N-CD2 3.3Å; G665-H859 PolarHBondContact N-NE2 3.15Å; R845-H859 PolarHBondContact NH2-CE1 2.68Å; R845-H859 VanDerWaalsContact NH2-CE1 3.29Å; R845-H859 PolarHBondContact NH2-ND1 2.92Å; R845-H859 VanDerWaalsContact NH2-ND1 3.17Å; R845-H859 PolarHBondContact NH2-O 2.94Å; R845-H859 VanDerWaalsContact NH2-O 3.09Å; V853-H859 HydrophobicContact CG2-CB 3.72Å; Y855-H859 PolarHBondContact O-N 3.4Å; M856-H859 PolarHBondContact O-N 3.06Å; H859-Q862 PolarHBondContact O-N 3.38Å; H859-Q863 PolarHBondContact O-N 3.35Å
860	Q	97	Very high	97.3	Very high	116 Å²	116	57.7 Å²	57.7	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-43.8	178.2	-75.7	175.9	-13.1	0	0	111.6	M856 Q863 Q864	M856-Q860 HydrophobicContact CG-CG 4.3Å; M856-Q860 WeakPolarHBondContact O-CB 3Å; M856-Q860 WeakPolarHBondContact O-CG 3.38Å; M856-Q860 PolarHBondContact O-N 2.9Å; M856-Q860 HydrophobicContact SD-CG 3.92Å; Q860-Q863 PolarHBondContact O-N 3.06Å; Q860-Q864 PolarHBondContact O-N 3.48Å
861	K	97.5	Very high	97.3	Very high	135 Å²	135	55.5 Å²	55.5	59%	0.587	29%	0.292	S	S	*	.	H	α-helix	trans	-57.7	-51.8	173.8	-177.3	-178.7	173.3	-173.8	0	110.8	S857 V858 Q863 Q864 D865	S857-K861 WeakPolarHBondContact O-CB 3.24Å; S857-K861 PolarHBondContact O-N 3.23Å; S857-K861 VanDerWaalsContact O-N 3.14Å; V858-K861 PolarHBondContact O-N 3.47Å; K861-Q863 VanDerWaalsContact C-N 3.25Å; K861-Q863 PolarHBondContact O-N 2.97Å; K861-Q864 PolarHBondContact O-N 2.82Å; K861-D865 WeakPolarHBondContact CE-OD2 3.37Å; K861-D865 WeakPolarHBondContact CG-OD2 3.44Å; K861-D865 WeakPolarHBondContact O-CB 3.45Å; K861-D865 PolarHBondContact O-N 3.2Å
862	Q	97.8	Very high	97.1	Very high	39 Å²	39	59.8 Å²	59.8	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-58.2	-35.8	178	-74	173.8	-16.3	0	0	113.1	R845 V858 H859 L866	R845-Q862 HydrophobicContact CG-CB 4.28Å; V858-Q862 WeakPolarHBondContact O-CB 3.31Å; V858-Q862 VanDerWaalsContact O-CG 3.32Å; V858-Q862 WeakPolarHBondContact O-CG 3.41Å; V858-Q862 PolarHBondContact O-N 3.43Å; H859-Q862 PolarHBondContact O-N 3.38Å; Q862-L866 WeakPolarHBondContact O-CD2 3.49Å; Q862-L866 WeakPolarHBondContact O-CG 3.32Å; Q862-L866 PolarHBondContact O-N 2.94Å
863	Q	97.7	Very high	96.3	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-44.5	177.8	-164.3	71.9	7.6	0	0	111.2	D768 E815 R845 H859 Q860 K861 V867	D768-Q863 PolarHBondContact OD2-NE2 2.67Å; E815-Q863 PolarHBondContact OE1-NE2 3.03Å; R845-Q863 VanDerWaalsContact CZ-OE1 3.29Å; H859-Q863 PolarHBondContact O-N 3.35Å; Q860-Q863 PolarHBondContact O-N 3.06Å; K861-Q863 VanDerWaalsContact C-N 3.25Å; K861-Q863 PolarHBondContact O-N 2.97Å; Q863-V867 WeakPolarHBondContact O-CB 3.26Å; Q863-V867 VanDerWaalsContact O-CG2 3.23Å; Q863-V867 WeakPolarHBondContact O-CG2 3.41Å; Q863-V867 PolarHBondContact O-N 3.3Å; Q863-V867 VanDerWaalsContact O-N 3.12Å
864	Q	96.9	Very high	94.7	Very high	82 Å²	82	68.8 Å²	68.8	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-67.8	-40.1	176.1	-170	69.8	74.5	0	0	111.6	Q860 K861 N868	Q860-Q864 PolarHBondContact O-N 3.48Å; K861-Q864 PolarHBondContact O-N 2.82Å; Q864-N868 PolarHBondContact NE2-OD1 2.9Å; Q864-N868 VanDerWaalsContact O-CB 3.28Å; Q864-N868 WeakPolarHBondContact O-CB 3.48Å; Q864-N868 PolarHBondContact O-N 3.48Å; Q864-N868 PolarHBondContact O-ND2 3.43Å; Q864-N868 PolarHBondContact O-OD1 3.15Å
865	D	97.1	Very high	94.6	Very high	82 Å²	82	69.6 Å²	69.6	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-49.1	177.7	-69.6	-14.4	0	0	0	110.7	K861 N868 D869	K861-D865 WeakPolarHBondContact CE-OD2 3.37Å; K861-D865 WeakPolarHBondContact CG-OD2 3.44Å; K861-D865 WeakPolarHBondContact O-CB 3.45Å; K861-D865 PolarHBondContact O-N 3.2Å; D865-N868 PolarHBondContact O-N 2.97Å; D865-D869 WeakPolarHBondContact O-CB 3.31Å; D865-D869 PolarHBondContact O-N 3.05Å
866	L	97.3	Very high	94.5	Very high	6 Å²	6	64 Å²	64	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-36	-178.7	77.7	87.6	0	0	0	113.6	V765 R845 Q862 A870	V765-L866 HydrophobicContact CG2-CD1 4.06Å; R845-L866 HydrophobicContact CG-CD2 3.92Å; Q862-L866 WeakPolarHBondContact O-CD2 3.49Å; Q862-L866 WeakPolarHBondContact O-CG 3.32Å; Q862-L866 PolarHBondContact O-N 2.94Å; L866-A870 WeakPolarHBondContact O-CB 3.48Å; L866-A870 PolarHBondContact O-N 3.34Å
867	V	97.8	Very high	94.4	Very high	6 Å²	6	62.8 Å²	62.8	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-69	-37.8	177.2	169.3	0	0	0	0	110.8	D768 L769 Q772 Q863 L871	D768-V867 HydrophobicContact CB-CG2 3.95Å; L769-V867 HydrophobicContact CD2-CG1 4.3Å; Q772-V867 HydrophobicContact CB-CG1 3.67Å; Q772-V867 HydrophobicContact CG-CG1 3.86Å; Q863-V867 WeakPolarHBondContact O-CB 3.26Å; Q863-V867 VanDerWaalsContact O-CG2 3.23Å; Q863-V867 WeakPolarHBondContact O-CG2 3.41Å; Q863-V867 PolarHBondContact O-N 3.3Å; Q863-V867 VanDerWaalsContact O-N 3.12Å; V867-L871 HydrophobicContact CG1-CD1 4.25Å; V867-L871 WeakPolarHBondContact O-CG 3.39Å; V867-L871 PolarHBondContact O-N 3Å
868	N	96.9	Very high	94.2	Very high	73 Å²	73	61.4 Å²	61.4	39%	0.39	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-46	174.7	-71.1	-8.7	0	0	0	111.6	Q864 D865 A870 L871 N872	Q864-N868 PolarHBondContact NE2-OD1 2.9Å; Q864-N868 VanDerWaalsContact O-CB 3.28Å; Q864-N868 WeakPolarHBondContact O-CB 3.48Å; Q864-N868 PolarHBondContact O-N 3.48Å; Q864-N868 PolarHBondContact O-ND2 3.43Å; Q864-N868 PolarHBondContact O-OD1 3.15Å; D865-N868 PolarHBondContact O-N 2.97Å; N868-A870 PolarHBondContact O-N 3.22Å; N868-L871 PolarHBondContact O-N 3.36Å; N868-N872 VanDerWaalsContact O-CB 3.31Å; N868-N872 WeakPolarHBondContact O-CB 3.42Å; N868-N872 PolarHBondContact O-N 2.9Å
869	D	97.1	Very high	94.1	Very high	86 Å²	86	61.4 Å²	61.4	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-46.8	178.6	-177.4	53.9	0	0	0	112.1	R757 A843 D865 L871 N872	R757-D869 PolarHBondContact NH1-O 3.2Å; A843-D869 WeakPolarHBondContact CB-OD2 3.35Å; D865-D869 WeakPolarHBondContact O-CB 3.31Å; D865-D869 PolarHBondContact O-N 3.05Å; D869-L871 VanDerWaalsContact C-N 3.3Å; D869-L871 PolarHBondContact O-N 3.23Å; D869-N872 PolarHBondContact O-N 3.48Å
870	A	97.7	Very high	93.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-36.4	177.5	0	0	0	0	0	113.5	R757 V759 L769 V811 C813 A843 L866 N868	R757-A870 VanDerWaalsContact CD-O 3.28Å; R757-A870 WeakPolarHBondContact CD-O 3.38Å; R757-A870 PolarHBondContact NH1-O 2.76Å; V759-A870 HydrophobicContact CG1-CB 4.42Å; V759-A870 WeakPolarHBondContact CG2-O 3.47Å; L769-A870 HydrophobicContact CD2-CB 3.72Å; V811-A870 HydrophobicContact CG1-CB 4.47Å; C813-A870 HydrophobicContact CB-CB 4.04Å; A843-A870 HydrophobicContact CB-CB 3.8Å; L866-A870 WeakPolarHBondContact O-CB 3.48Å; L866-A870 PolarHBondContact O-N 3.34Å; N868-A870 PolarHBondContact O-N 3.22Å
871	L	97.5	Very high	93.6	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-89.8	-10.7	-179.4	-64.2	176.2	0	0	0	114.1	L769 Q772 R773 Q778 V781 V867 N868 D869 V873	L769-L871 HydrophobicContact CD2-CD2 4.22Å; L769-L871 HydrophobicContact CD2-CG 4.07Å; Q772-L871 HydrophobicContact CB-CD1 3.95Å; Q772-L871 HydrophobicContact CG-CD1 3.97Å; R773-L871 HydrophobicContact CB-CD1 4.3Å; R773-L871 HydrophobicContact CB-CD2 4.26Å; Q778-L871 PolarHBondContact NE2-O 3.22Å; V781-L871 HydrophobicContact CG1-CD2 4Å; V867-L871 HydrophobicContact CG1-CD1 4.25Å; V867-L871 WeakPolarHBondContact O-CG 3.39Å; V867-L871 PolarHBondContact O-N 3Å; N868-L871 PolarHBondContact O-N 3.36Å; D869-L871 VanDerWaalsContact C-N 3.3Å; D869-L871 PolarHBondContact O-N 3.23Å; L871-V873 PolarHBondContact O-N 3.47Å
872	N	93.9	Very high	93.3	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	28%	0.281	S	S	.	.			trans	-78.7	103.4	-175	-179.3	52.9	0	0	0	113.1	R757 N868 D869	R757-N872 PolarHBondContact NH1-O 3.15Å; R757-N872 PolarHBondContact NH2-O 3.43Å; N868-N872 VanDerWaalsContact O-CB 3.31Å; N868-N872 WeakPolarHBondContact O-CB 3.42Å; N868-N872 PolarHBondContact O-N 2.9Å; D869-N872 PolarHBondContact O-N 3.48Å
873	V	82.1	Confident	92.9	Very high	36 Å²	36	56.8 Å²	56.8	22%	0.218	29%	0.289	C	S	.	.			trans	-85.2	125.3	174.3	-171.8	0	0	0	0	110.3	K756 R757 V781 L871	K756-V873 HydrophobicContact CB-CG1 4.07Å; K756-V873 HydrophobicContact CD-CG1 3.83Å; R757-V873 HydrophobicContact CB-CG2 4.27Å; V781-V873 HydrophobicContact CG2-CG2 3.53Å; L871-V873 PolarHBondContact O-N 3.47Å
874	E	63	Low	92.5	Very high	195 Å²	195	60.4 Å²	60.4	91%	0.911	31%	0.308	S	S	*	.			trans	-78.9	0	174.1	-63.9	174.5	142.3	0	0	113.1	R841	R841-E874 IonicContact CZ-OE2 3.28Å; R841-E874 IonicContact NH1-OE1 2.7Å; R841-E874 IonicContact NH1-OE2 3.36Å; R841-E874 PolarHBondContact NH1-OE2 2.93Å; R841-E874 IonicContact NH2-OE2 3.6Å; R841-E874 PolarHBondContact NH2-OE2 3.35Å

Retrieved 874 of 874 residues in 214.5 ms (Link to these results)

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