A0A096NXQ6_PAPAN Loading...

N-alpha-acetyltransferase 25, NatB auxiliary subunit

Non-catalytic subunit of the NatB complex which catalyzes acetylation of the N-terminal methionine residues of peptides beginning with Met-Asp, Met-Glu, Met-Asn and Met-Gln. May play a role in normal cell-cycle progression.

AlphaFold DB , UniProt , Accession A0A096NXQ6, Species PAPAN (Papio anubis, Olive baboon), Gene NAA25, Length 972 aa.

						>A0A096NXQ6_PAPAN|A0A096NXQ6|NAA25
MATRGHVQDPNDRRLRPIYDYLDNGNNKMAIQQADKLLKKHKDLHCAKVLKAIGLQRTGKQEEAFTLAQEVAALEPTDDNSLQALTILYREMHRPELVTKLYEAAVKKVPNSEEYHSHLFMAYARVGEYKKMQQAGMALYKIVPKNPYYFWSVMSLIMQSISAQDENLSKTMFLPLAERMVEKMVKEDKIEAEAEVELYYMILERLGKYQEALDVIRGKLGEKLTSEIQSRENKCMAMYKKLSRWPECNALSRRLLLKNSDDWQFYLTYFDSVFRLIEEAWTPPAEGEHSLEGEVHYSAEEAVKFIEDRITEESKSSRHLRGPHLAKLELIRRLRSQGCNDEYKLGDPEELMFQYFKKFGDKPCCFTDLKVFVDLLPATQCTKFINQLLGVVPLSTPTEDKLALPADIRALQQHLCVVQLTRLLGLYHTMDKNQKLSVVRELMLRYQHGLEFGKTCLKTELQFSDYYCLLAVHVLIDVWRETGDETAVWQALTLLEEGLTHSPSNAQFKLLLVRIYCMLGAFEPVVDLYSSLDAKHIQHDTIGYLLTRYAESLGQYAAASQSCNFALRFFHSNQKDTSEYIIQAYKYGAFEKIPEFIAFRNRLNNSLHFAQVRTERMLLDLLLEANISTSLAESIKSMNLRPEEDDIPWEDLRDNRDLNVFFSWDPKDRDVSEEHKKLSLEEETLWLRIRSLTLRLISGLPSLNHPVEPKNSEKTAENGVSSRIDILRLLLQQLEAALETGKRFIEKDIQYPFLGPVPTRMGGFFNSGCSQCQISSFYLVSDIYELDTSGLEDTMEIQERIENSFKSLLNQLKDVFSKCKGDLLEVKDGNLKTHPTLLENLVFFVETISVILWVSSYCESVLRPYKLNLQKKKRKKKETSIIMPPVFTSFQDYVTGLQILISNVVDHIKGLETYLIALKLEELILEDTSLSPEERKFSKTVQGKVQSSYLHSLLEMGELLKKRLETTKKLKI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.2	Very low	37.8	Very low	244 Å²	244	132.3 Å²	132.3	100%	1.202	73%	0.734	S	S	*	*				0	118.2	0	-79.2	-178.3	173.5	0	0	108.2
2	A	23.3	Very low	40.1	Very low	100 Å²	100	126.7 Å²	126.7	83%	0.826	70%	0.702	S	S	*	*			trans	-143.6	80.3	174.2	0	0	0	0	0	109.7
3	T	26.8	Very low	42.7	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	70%	0.699	S	S	*	*			trans	-154.1	85.6	160.3	47.8	0	0	0	0	109.6
4	R	26.7	Very low	45.4	Very low	250 Å²	250	129.1 Å²	129.1	94%	0.943	68%	0.679	S	S	*	*			trans	-137.7	128.8	143.4	-81.9	-163.7	173.9	174.8	-1.4	108.2
5	G	33.4	Very low	48	Very low	79 Å²	79	120.6 Å²	120.6	81%	0.814	63%	0.634	S	S	*	*			trans	-68.8	128.6	-164.9	0	0	0	0	0	113.5
6	H	30.2	Very low	50.5	Low	183 Å²	183	122.9 Å²	122.9	85%	0.847	63%	0.632	S	S	*	*			trans	-117.8	148.6	147.5	-91	-61	0	0	0	107.9	Q8	H6-Q8 PolarHBondContact O-N 3.4Å; H6-Q8 VanDerWaalsContact O-N 3.12Å
7	V	34.2	Very low	52.7	Low	143 Å²	143	118.9 Å²	118.9	87%	0.867	62%	0.616	S	S	*	*			trans	-39.7	116	173.5	178.3	0	0	0	0	109.5	D9	V7-D9 PolarHBondContact O-N 3.21Å
8	Q	39.4	Very low	54.7	Low	109 Å²	109	112.4 Å²	112.4	51%	0.509	58%	0.582	S	S	.	*			trans	-59.1	110.3	-177.5	-84.4	178.3	-9.8	0	0	110	H6	H6-Q8 PolarHBondContact O-N 3.4Å; H6-Q8 VanDerWaalsContact O-N 3.12Å
9	D	55.6	Low	56.4	Low	71 Å²	71	109.8 Å²	109.8	38%	0.38	56%	0.564	S	S	.	*			trans	-56.1	130.5	170.3	-172.8	-30.5	0	0	0	108.4	V7 N11 D12	V7-D9 PolarHBondContact O-N 3.21Å; D9-N11 PolarHBondContact O-N 2.9Å; D9-N11 WeakPolarHBondContact OD1-CB 3.49Å; D9-N11 PolarHBondContact OD1-N 3.18Å; D9-N11 PolarHBondContact OD1-ND2 3.3Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-D12 WeakPolarHBondContact O-CB 3.47Å; D9-D12 PolarHBondContact O-N 3.44Å
10	P	57.7	Low	57.9	Low	86 Å²	86	108.1 Å²	108.1	56%	0.558	56%	0.556	S	S	*	*	H	α-helix	trans	-49.2	-25.7	172.7	-27.5	33.3	0	0	0	114.1	R14	P10-R14 WeakPolarHBondContact O-CG 3.48Å
11	N	65.4	Low	59.4	Low	51 Å²	51	106.6 Å²	106.6	27%	0.273	54%	0.544	S	S	.	.	H	α-helix	trans	-71.5	-34.8	175.7	-64.9	-41	0	0	0	113.1	D9 R13 R14 L15 L44	D9-N11 PolarHBondContact O-N 2.9Å; D9-N11 WeakPolarHBondContact OD1-CB 3.49Å; D9-N11 PolarHBondContact OD1-N 3.18Å; D9-N11 PolarHBondContact OD1-ND2 3.3Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; N11-R13 VanDerWaalsContact C-N 3.34Å; N11-R13 PolarHBondContact O-N 3.48Å; N11-R14 WeakPolarHBondContact O-CB 3.37Å; N11-R14 PolarHBondContact O-N 3.16Å; N11-R14 VanDerWaalsContact O-N 3.08Å; N11-L15 WeakPolarHBondContact O-CG 3.47Å; N11-L15 PolarHBondContact O-N 3.33Å; N11-L15 VanDerWaalsContact O-N 3.1Å; N11-L44 HydrophobicContact CB-CD1 4.39Å
12	D	64.6	Low	62.4	Low	65 Å²	65	95.2 Å²	95.2	35%	0.348	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-39.4	178.8	-76	-14.1	0	0	0	112.1	D9 R14 L15 R16 N80	D9-D12 WeakPolarHBondContact O-CB 3.47Å; D9-D12 PolarHBondContact O-N 3.44Å; D12-R14 VanDerWaalsContact C-N 3.26Å; D12-R14 PolarHBondContact O-N 2.9Å; D12-L15 PolarHBondContact O-N 2.94Å; D12-R16 PolarHBondContact O-N 2.89Å; D12-R16 VanDerWaalsContact O-N 3.17Å; D12-N80 PolarHBondContact OD1-ND2 3.24Å
13	R	74.1	Confident	65.2	Low	176 Å²	176	96.3 Å²	96.3	66%	0.664	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-30.9	175.8	-71.1	-174.2	178.5	-177.6	0.9	112.7	N11	N11-R13 VanDerWaalsContact C-N 3.34Å; N11-R13 PolarHBondContact O-N 3.48Å
14	R	80.8	Confident	67.8	Low	111 Å²	111	95.4 Å²	95.4	42%	0.419	47%	0.47	S	S	.	.	H	α-helix	trans	-79	-28.8	179.8	-66.7	172.1	-179.3	175.2	-0.6	112.5	P10 N11 D12 L37 H41	P10-R14 WeakPolarHBondContact O-CG 3.48Å; N11-R14 WeakPolarHBondContact O-CB 3.37Å; N11-R14 PolarHBondContact O-N 3.16Å; N11-R14 VanDerWaalsContact O-N 3.08Å; D12-R14 VanDerWaalsContact C-N 3.26Å; D12-R14 PolarHBondContact O-N 2.9Å; R14-L37 HydrophobicContact CB-CD1 4.13Å; R14-L37 HydrophobicContact CB-CD2 4.44Å; R14-H41 PolarHBondContact NH1-CE1 3.48Å; R14-H41 PolarHBondContact NH1-NE2 3.28Å
15	L	85.2	Confident	70.3	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.01	45%	0.447	C	S	.	.	H	α-helix	trans	-82.4	-26.8	179.4	-66.5	169.2	0	0	0	112.8	N11 D12 I18 Y19 L37 L44 C46 A47 L50	N11-L15 WeakPolarHBondContact O-CG 3.47Å; N11-L15 PolarHBondContact O-N 3.33Å; N11-L15 VanDerWaalsContact O-N 3.1Å; D12-L15 PolarHBondContact O-N 2.94Å; L15-I18 HydrophobicContact CD2-CD1 4.45Å; L15-I18 WeakPolarHBondContact O-CA 3.48Å; L15-I18 WeakPolarHBondContact O-CB 3.47Å; L15-I18 PolarHBondContact O-N 3.15Å; L15-Y19 HydrophobicContact CB-CD2 4.16Å; L15-Y19 HydrophobicContact CB-CE2 3.95Å; L15-Y19 PolarHBondContact O-N 2.82Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; L15-L44 HydrophobicContact CD2-CD2 3.89Å; L15-L44 HydrophobicContact CD2-CG 4.45Å; L15-L44 HydrophobicContact CG-CD2 4.43Å; L15-C46 HydrophobicContact CD1-CB 4.06Å; L15-C46 HydrophobicContact CD2-CB 4.47Å; L15-A47 HydrophobicContact CD2-CB 3.83Å; L15-L50 HydrophobicContact CD2-CD1 4.01Å
16	R	86.8	Confident	73	Confident	157 Å²	157	86 Å²	86	59%	0.592	43%	0.43	S	S	*	.	H	α-helix	trans	-49.6	-45.3	-176.9	-169.5	172.6	-174.5	168.2	3.2	115.4	D12 I18 Y19 D20	D12-R16 PolarHBondContact O-N 2.89Å; D12-R16 VanDerWaalsContact O-N 3.17Å; R16-I18 PolarHBondContact O-N 3.16Å; R16-Y19 PolarHBondContact O-N 2.64Å; R16-D20 VanDerWaalsContact O-CG 3.29Å; R16-D20 PolarHBondContact O-N 3.38Å
17	P	88	Confident	75.8	Confident	55 Å²	55	78.6 Å²	78.6	36%	0.357	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-32.4	177	-23.7	34.9	0	0	0	113.2	Y21	P17-Y21 WeakPolarHBondContact O-CD2 3.39Å; P17-Y21 PolarHBondContact O-N 3.47Å
18	I	88.7	Confident	78.4	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-70.7	-45.4	178.4	-55.5	169.6	0	0	0	109.6	L15 R16 Y21 L22 A30 Q33 A34 L37 A47 L50	L15-I18 HydrophobicContact CD2-CD1 4.45Å; L15-I18 WeakPolarHBondContact O-CA 3.48Å; L15-I18 WeakPolarHBondContact O-CB 3.47Å; L15-I18 PolarHBondContact O-N 3.15Å; R16-I18 PolarHBondContact O-N 3.16Å; I18-Y21 PolarHBondContact O-N 3.36Å; I18-L22 HydrophobicContact CG2-CD1 4.18Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 3.37Å; I18-A30 HydrophobicContact CG2-CB 4.36Å; I18-Q33 HydrophobicContact CG1-CB 3.96Å; I18-A34 HydrophobicContact CD1-CB 3.94Å; I18-A34 HydrophobicContact CG2-CB 4.43Å; I18-L37 HydrophobicContact CD1-CD2 3.77Å; I18-A47 HydrophobicContact CD1-CB 4.41Å; I18-L50 HydrophobicContact CB-CD1 4.21Å; I18-L50 HydrophobicContact CG2-CB 3.71Å; I18-L50 HydrophobicContact CG2-CD1 3.97Å; I18-L50 HydrophobicContact CG2-CG 4.42Å
19	Y	87.5	Confident	80.8	Confident	64 Å²	64	77.5 Å²	77.5	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-49.5	174.1	-76.7	-67.3	0	0	0	111.8	L15 R16 Y21 L22 D23 L50	L15-Y19 HydrophobicContact CB-CD2 4.16Å; L15-Y19 HydrophobicContact CB-CE2 3.95Å; L15-Y19 PolarHBondContact O-N 2.82Å; R16-Y19 PolarHBondContact O-N 2.64Å; Y19-Y21 VanDerWaalsContact C-N 3.28Å; Y19-Y21 PolarHBondContact O-N 3.42Å; Y19-L22 PolarHBondContact O-N 2.91Å; Y19-D23 WeakPolarHBondContact O-CB 3.4Å; Y19-D23 PolarHBondContact O-N 3.06Å; Y19-L50 HydrophobicContact CD1-CD2 4Å; Y19-L50 HydrophobicContact CD2-CD1 4.28Å; Y19-L50 HydrophobicContact CE1-CD1 4.23Å; Y19-L50 HydrophobicContact CE1-CD2 3.42Å; Y19-L50 VanDerWaalsContact CE1-CD2 3.42Å; Y19-L50 HydrophobicContact CE1-CG 4.45Å; Y19-L50 HydrophobicContact CE2-CD1 3.87Å
20	D	86.9	Confident	82.5	Confident	75 Å²	75	74.1 Å²	74.1	40%	0.401	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-40.4	179.8	-65.1	-23.1	0	0	0	111.5	R16 N24	R16-D20 VanDerWaalsContact O-CG 3.29Å; R16-D20 PolarHBondContact O-N 3.38Å; D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.49Å; D20-N24 VanDerWaalsContact O-CG 3.23Å; D20-N24 PolarHBondContact O-N 3.16Å; D20-N24 PolarHBondContact O-ND2 2.93Å
21	Y	89.5	Confident	84.2	Confident	76 Å²	76	71.1 Å²	71.1	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-70.7	-35.9	175.9	-77.3	-59.3	0	0	0	113.2	P17 I18 Y19 G25 N26 M29 Q33	P17-Y21 WeakPolarHBondContact O-CD2 3.39Å; P17-Y21 PolarHBondContact O-N 3.47Å; I18-Y21 PolarHBondContact O-N 3.36Å; Y19-Y21 VanDerWaalsContact C-N 3.28Å; Y19-Y21 PolarHBondContact O-N 3.42Å; Y21-G25 PolarHBondContact O-N 3.41Å; Y21-N26 HydrophobicContact CD1-CB 3.95Å; Y21-N26 CarbonylContact O-C 3.45Å; Y21-N26 WeakPolarHBondContact O-CA 3.44Å; Y21-N26 PolarHBondContact O-N 2.9Å; Y21-M29 HydrophobicContact CD1-CB 3.62Å; Y21-M29 HydrophobicContact CD1-CG 4.43Å; Y21-M29 HydrophobicContact CD2-CB 4.23Å; Y21-M29 HydrophobicContact CE1-CB 3.88Å; Y21-M29 HydrophobicContact CE1-CE 4.42Å; Y21-M29 HydrophobicContact CE1-CG 4.33Å; Y21-M29 HydrophobicContact CE2-CB 4.5Å; Y21-M29 HydrophobicContact CG-CB 3.83Å; Y21-Q33 HydrophobicContact CD2-CG 3.83Å; Y21-Q33 HydrophobicContact CE2-CG 3.73Å
22	L	84.8	Confident	85.5	Confident	6 Å²	6	73.2 Å²	73.2	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-41.6	175.6	-73.1	172.9	0	0	0	111.7	I18 Y19 G25 A30 L50 I53 R57	I18-L22 HydrophobicContact CG2-CD1 4.18Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 3.37Å; Y19-L22 PolarHBondContact O-N 2.91Å; L22-G25 PolarHBondContact O-N 3.05Å; L22-G25 VanDerWaalsContact O-N 3.13Å; L22-A30 HydrophobicContact CD2-CB 3.56Å; L22-A30 HydrophobicContact CG-CB 3.64Å; L22-L50 HydrophobicContact CD1-CB 4.19Å; L22-L50 HydrophobicContact CD1-CD2 3.89Å; L22-I53 HydrophobicContact CD1-CG2 4.27Å; L22-I53 HydrophobicContact CD2-CG2 4.19Å; L22-R57 PolarHBondContact O-NH1 3.13Å
23	D	82.7	Confident	86.7	Confident	123 Å²	123	72.4 Å²	72.4	66%	0.658	34%	0.344	S	S	*	.	H	α-helix	trans	-70.8	-34.1	-179.4	-69.4	-15.9	0	0	0	111.6	Y19 G25	Y19-D23 WeakPolarHBondContact O-CB 3.4Å; Y19-D23 PolarHBondContact O-N 3.06Å; D23-G25 PolarHBondContact O-N 3.43Å
24	N	81.5	Confident	87.5	Confident	120 Å²	120	64 Å²	64	64%	0.642	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	5	171.6	-70.2	-48.3	0	0	0	113.8	D20 N26	D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.49Å; D20-N24 VanDerWaalsContact O-CG 3.23Å; D20-N24 PolarHBondContact O-N 3.16Å; D20-N24 PolarHBondContact O-ND2 2.93Å; N24-N26 PolarHBondContact O-N 3.36Å
25	G	80.1	Confident	88.1	Confident	45 Å²	45	61.3 Å²	61.3	46%	0.464	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	4	179.8	0	0	0	0	0	115.3	Y21 L22 D23 N27	Y21-G25 PolarHBondContact O-N 3.41Å; L22-G25 PolarHBondContact O-N 3.05Å; L22-G25 VanDerWaalsContact O-N 3.13Å; D23-G25 PolarHBondContact O-N 3.43Å; G25-N27 PolarHBondContact O-N 3.3Å; G25-N27 PolarHBondContact O-ND2 3.09Å
26	N	88.4	Confident	88.4	Confident	86 Å²	86	66.4 Å²	66.4	46%	0.46	33%	0.328	S	S	.	.			trans	-82.8	61.6	-179.4	-77.5	-42.8	0	0	0	111.7	Y21 N24 K28 M29 A30	Y21-N26 HydrophobicContact CD1-CB 3.95Å; Y21-N26 CarbonylContact O-C 3.45Å; Y21-N26 WeakPolarHBondContact O-CA 3.44Å; Y21-N26 PolarHBondContact O-N 2.9Å; N24-N26 PolarHBondContact O-N 3.36Å; N26-K28 VanDerWaalsContact C-N 3.28Å; N26-K28 PolarHBondContact O-N 3.38Å; N26-M29 HydrophobicContact CB-CB 4.34Å; N26-M29 PolarHBondContact O-N 3.38Å; N26-A30 PolarHBondContact O-N 3.45Å
27	N	89.1	Confident	88.5	Confident	28 Å²	28	60 Å²	60	15%	0.15	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-36.5	-173.2	-60.4	-48.5	0	0	0	113.5	G25 M29 A30 I31 R57 T58	G25-N27 PolarHBondContact O-N 3.3Å; G25-N27 PolarHBondContact O-ND2 3.09Å; N27-M29 PolarHBondContact O-N 3.16Å; N27-A30 PolarHBondContact O-N 3.11Å; N27-I31 WeakPolarHBondContact O-CD1 3.49Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.38Å; N27-I31 PolarHBondContact O-N 2.78Å; N27-R57 HydrophobicContact CB-CB 4.48Å; N27-R57 WeakPolarHBondContact ND2-CB 3.35Å; N27-R57 VanDerWaalsContact OD1-CD 3.27Å; N27-R57 WeakPolarHBondContact OD1-CD 3.45Å; N27-T58 HydrophobicContact CB-CG2 3.69Å
28	K	90.3	Very high	88.6	Confident	162 Å²	162	58.6 Å²	58.6	70%	0.704	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-41.7	177.4	-68.1	-177.5	-179	176.3	0	112.4	N26 I31 Q32	N26-K28 VanDerWaalsContact C-N 3.28Å; N26-K28 PolarHBondContact O-N 3.38Å; K28-I31 PolarHBondContact O-N 3.33Å; K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.14Å; K28-Q32 VanDerWaalsContact O-N 3.15Å
29	M	89.7	Confident	88.7	Confident	66 Å²	66	66.4 Å²	66.4	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-71.4	-37.6	178	-70.7	-62.5	-70.6	0	0	111.2	Y21 N26 N27 I31 Q32 Q33	Y21-M29 HydrophobicContact CD1-CB 3.62Å; Y21-M29 HydrophobicContact CD1-CG 4.43Å; Y21-M29 HydrophobicContact CD2-CB 4.23Å; Y21-M29 HydrophobicContact CE1-CB 3.88Å; Y21-M29 HydrophobicContact CE1-CE 4.42Å; Y21-M29 HydrophobicContact CE1-CG 4.33Å; Y21-M29 HydrophobicContact CE2-CB 4.5Å; Y21-M29 HydrophobicContact CG-CB 3.83Å; N26-M29 HydrophobicContact CB-CB 4.34Å; N26-M29 PolarHBondContact O-N 3.38Å; N27-M29 PolarHBondContact O-N 3.16Å; M29-I31 PolarHBondContact O-N 3Å; M29-Q32 PolarHBondContact O-N 2.89Å; M29-Q33 WeakPolarHBondContact O-CG 3.18Å; M29-Q33 PolarHBondContact O-N 3.35Å
30	A	91.1	Very high	88.6	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-47.1	172.8	0	0	0	0	0	111.9	I18 L22 N26 N27 Q32 Q33 A34	I18-A30 HydrophobicContact CG2-CB 4.36Å; L22-A30 HydrophobicContact CD2-CB 3.56Å; L22-A30 HydrophobicContact CG-CB 3.64Å; N26-A30 PolarHBondContact O-N 3.45Å; N27-A30 PolarHBondContact O-N 3.11Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; A30-Q32 PolarHBondContact O-N 3.45Å; A30-Q33 PolarHBondContact O-N 2.83Å; A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 3.13Å
31	I	92.4	Very high	88.5	Confident	24 Å²	24	71.5 Å²	71.5	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-46.3	175.9	-65.6	161.2	0	0	0	110.6	N27 K28 M29 Q33 A34 D35 K51 L55 T58	N27-I31 WeakPolarHBondContact O-CD1 3.49Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.38Å; N27-I31 PolarHBondContact O-N 2.78Å; K28-I31 PolarHBondContact O-N 3.33Å; M29-I31 PolarHBondContact O-N 3Å; I31-Q33 PolarHBondContact O-N 3.08Å; I31-A34 PolarHBondContact O-N 2.95Å; I31-D35 PolarHBondContact O-N 3.46Å; I31-K51 HydrophobicContact CG2-CG 4.36Å; I31-L55 HydrophobicContact CD1-CD2 4.01Å; I31-L55 HydrophobicContact CD1-CG 4.28Å; I31-L55 HydrophobicContact CG1-CG 4.5Å; I31-T58 HydrophobicContact CD1-CG2 4.24Å
32	Q	93.1	Very high	88.1	Confident	95 Å²	95	75.9 Å²	75.9	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-40.7	179.3	-71.7	178.8	15.5	0	0	113.1	K28 M29 A30 D35 K36	K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.14Å; K28-Q32 VanDerWaalsContact O-N 3.15Å; M29-Q32 PolarHBondContact O-N 2.89Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; A30-Q32 PolarHBondContact O-N 3.45Å; Q32-D35 PolarHBondContact O-N 2.87Å; Q32-K36 VanDerWaalsContact O-CG 3.31Å; Q32-K36 WeakPolarHBondContact O-CG 3.5Å; Q32-K36 PolarHBondContact O-N 3.45Å
33	Q	90.8	Very high	87.9	Confident	47 Å²	47	82.4 Å²	82.4	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-69.5	-38.9	177.1	-66.6	-58.9	-21.3	0	0	111.5	I18 Y21 M29 A30 I31 K36 L37	I18-Q33 HydrophobicContact CG1-CB 3.96Å; Y21-Q33 HydrophobicContact CD2-CG 3.83Å; Y21-Q33 HydrophobicContact CE2-CG 3.73Å; M29-Q33 WeakPolarHBondContact O-CG 3.18Å; M29-Q33 PolarHBondContact O-N 3.35Å; A30-Q33 PolarHBondContact O-N 2.83Å; I31-Q33 PolarHBondContact O-N 3.08Å; Q33-K36 PolarHBondContact O-N 3.29Å; Q33-L37 WeakPolarHBondContact O-CB 3.26Å; Q33-L37 PolarHBondContact O-N 2.92Å
34	A	91.1	Very high	88	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-44.3	173.1	0	0	0	0	0	111.5	I18 A30 I31 K36 L37 L38 K51	I18-A34 HydrophobicContact CD1-CB 3.94Å; I18-A34 HydrophobicContact CG2-CB 4.43Å; A30-A34 WeakPolarHBondContact O-CB 3.48Å; A30-A34 PolarHBondContact O-N 3.13Å; I31-A34 PolarHBondContact O-N 2.95Å; A34-K36 PolarHBondContact O-N 2.95Å; A34-L37 PolarHBondContact O-N 3.35Å; A34-L38 WeakPolarHBondContact O-CB 3.28Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.9Å; A34-K51 HydrophobicContact CB-CB 3.76Å; A34-K51 HydrophobicContact CB-CG 4.44Å
35	D	91.9	Very high	88.3	Confident	54 Å²	54	74.7 Å²	74.7	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.4	-79.1	-32.3	0	0	0	112.6	I31 Q32 L37 K39 K51	I31-D35 PolarHBondContact O-N 3.46Å; Q32-D35 PolarHBondContact O-N 2.87Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.05Å; D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.3Å; D35-K39 PolarHBondContact O-N 3.19Å; D35-K51 WeakPolarHBondContact OD1-CD 3.44Å; D35-K51 VanDerWaalsContact OD1-CE 3.27Å; D35-K51 WeakPolarHBondContact OD1-CE 3.45Å; D35-K51 IonicContact OD1-NZ 3.71Å; D35-K51 PolarHBondContact OD1-NZ 3.35Å; D35-K51 IonicContact OD2-NZ 3.48Å
36	K	91.8	Very high	88.7	Confident	110 Å²	110	72.6 Å²	72.6	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-39.7	174.8	-74.9	172.1	-174.6	173.8	0	111.8	Q32 Q33 A34	Q32-K36 VanDerWaalsContact O-CG 3.31Å; Q32-K36 WeakPolarHBondContact O-CG 3.5Å; Q32-K36 PolarHBondContact O-N 3.45Å; Q33-K36 PolarHBondContact O-N 3.29Å; A34-K36 PolarHBondContact O-N 2.95Å
37	L	89.8	Confident	88.7	Confident	22 Å²	22	68.5 Å²	68.5	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-71.7	-45.1	-179.8	-171.5	60.6	0	0	0	111.3	R14 L15 I18 Q33 A34 D35 K39 K40 H41 L44 A47	R14-L37 HydrophobicContact CB-CD1 4.13Å; R14-L37 HydrophobicContact CB-CD2 4.44Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; I18-L37 HydrophobicContact CD1-CD2 3.77Å; Q33-L37 WeakPolarHBondContact O-CB 3.26Å; Q33-L37 PolarHBondContact O-N 2.92Å; A34-L37 PolarHBondContact O-N 3.35Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.05Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.44Å; L37-K40 PolarHBondContact O-N 3.28Å; L37-H41 PolarHBondContact O-N 2.9Å; L37-L44 HydrophobicContact CD2-CD2 3.63Å; L37-L44 HydrophobicContact CG-CD2 4Å; L37-A47 HydrophobicContact CD2-CB 3.89Å; L37-A47 HydrophobicContact CG-CB 4.46Å
38	L	90.1	Very high	88.9	Confident	25 Å²	25	69.5 Å²	69.5	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-27.4	178.3	-69.6	168.5	0	0	0	112.9	A34 K40 H41 K42 A47 K48 K51	A34-L38 WeakPolarHBondContact O-CB 3.28Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.9Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3.33Å; L38-H41 CarbonylContact O-C 3.2Å; L38-K42 WeakPolarHBondContact O-CA 3.44Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.48Å; L38-K42 PolarHBondContact O-N 2.99Å; L38-A47 HydrophobicContact CD2-CB 4Å; L38-A47 HydrophobicContact CG-CB 4.25Å; L38-K48 HydrophobicContact CD1-CB 4.35Å; L38-K48 HydrophobicContact CD2-CB 4.09Å; L38-K51 HydrophobicContact CD1-CD 4.17Å
39	K	90.1	Very high	88.9	Confident	167 Å²	167	61.8 Å²	61.8	73%	0.726	29%	0.288	S	S	*	.	H	α-helix	trans	-62.1	-34.4	170.3	-79.5	175.7	-175.4	-175.3	0	112.9	D35 L37	D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.3Å; D35-K39 PolarHBondContact O-N 3.19Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.44Å
40	K	86.4	Confident	89.1	Confident	173 Å²	173	58.8 Å²	58.8	75%	0.752	27%	0.273	S	S	*	.	H	α-helix	trans	-92.5	-33.1	-179	-64.3	-175.7	179.9	-176.2	0	112.7	L37 L38	L37-K40 PolarHBondContact O-N 3.28Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3.33Å
41	H	84.7	Confident	89.2	Confident	72 Å²	72	61 Å²	61	33%	0.333	28%	0.283	S	S	.	.			trans	-134.6	84.1	-176.4	-60.8	-68.5	0	0	0	109.5	R14 L37 L38 D43 L44	R14-H41 PolarHBondContact NH1-CE1 3.48Å; R14-H41 PolarHBondContact NH1-NE2 3.28Å; L37-H41 PolarHBondContact O-N 2.9Å; L38-H41 CarbonylContact O-C 3.2Å; H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 PolarHBondContact O-N 2.96Å; H41-L44 HydrophobicContact CB-CB 4.17Å; H41-L44 PolarHBondContact O-N 3.08Å
42	K	80.5	Confident	89.2	Confident	169 Å²	169	59.8 Å²	59.8	74%	0.735	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29	-176.4	-70	-176.4	178.7	-178.2	0	113.3	L38 L44	L38-K42 WeakPolarHBondContact O-CA 3.44Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.48Å; L38-K42 PolarHBondContact O-N 2.99Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.08Å
43	D	79.4	Confident	89	Confident	143 Å²	143	55.5 Å²	55.5	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6.3	-175.7	-50.7	-36.8	0	0	0	113.2	H41 H45	H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 PolarHBondContact O-N 2.96Å; D43-H45 VanDerWaalsContact C-N 3.34Å; D43-H45 PolarHBondContact O-CD2 2.93Å; D43-H45 VanDerWaalsContact O-CD2 3.24Å; D43-H45 PolarHBondContact O-N 2.99Å
44	L	86.6	Confident	88.9	Confident	25 Å²	25	53.2 Å²	53.2	13%	0.131	25%	0.246	C	C	.	.			trans	-80.4	84	177	-169.4	63.7	0	0	0	110.2	N11 L15 L37 H41 K42 C46 A47 K48	N11-L44 HydrophobicContact CB-CD1 4.39Å; L15-L44 HydrophobicContact CD2-CD2 3.89Å; L15-L44 HydrophobicContact CD2-CG 4.45Å; L15-L44 HydrophobicContact CG-CD2 4.43Å; L37-L44 HydrophobicContact CD2-CD2 3.63Å; L37-L44 HydrophobicContact CG-CD2 4Å; H41-L44 HydrophobicContact CB-CB 4.17Å; H41-L44 PolarHBondContact O-N 3.08Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.08Å; L44-C46 VanDerWaalsContact C-N 3.35Å; L44-C46 PolarHBondContact O-N 3.01Å; L44-A47 HydrophobicContact CB-CB 4.34Å; L44-A47 HydrophobicContact CD2-CB 3.91Å; L44-A47 HydrophobicContact CG-CB 4.03Å; L44-A47 WeakPolarHBondContact O-CB 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-A47 VanDerWaalsContact O-N 3.09Å; L44-K48 PolarHBondContact O-N 3.32Å
45	H	87.5	Confident	88.9	Confident	55 Å²	55	53.6 Å²	53.6	26%	0.255	25%	0.248	S	C	.	.	H	α-helix	trans	-52	-47.2	-175.8	-63.2	164.4	0	0	0	113.1	D43 A47 K48 V49 V71 L74	D43-H45 VanDerWaalsContact C-N 3.34Å; D43-H45 PolarHBondContact O-CD2 2.93Å; D43-H45 VanDerWaalsContact O-CD2 3.24Å; D43-H45 PolarHBondContact O-N 2.99Å; H45-A47 VanDerWaalsContact C-N 3.29Å; H45-A47 PolarHBondContact O-N 3.44Å; H45-K48 WeakPolarHBondContact O-CB 3.36Å; H45-K48 PolarHBondContact O-N 2.97Å; H45-V49 WeakPolarHBondContact O-CG2 3.46Å; H45-V49 PolarHBondContact O-N 3.42Å; H45-V49 VanDerWaalsContact O-N 3.1Å; H45-V71 HydrophobicContact CB-CG1 3.85Å; H45-L74 VanDerWaalsContact NE2-CD1 3.31Å; H45-L74 WeakPolarHBondContact NE2-CD1 3.46Å
46	C	87.7	Confident	88.6	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-55.4	-40.5	178.5	-175.2	0	0	0	0	112.9	L15 L44 K48 V49 L50 N80 S81	L15-C46 HydrophobicContact CD1-CB 4.06Å; L15-C46 HydrophobicContact CD2-CB 4.47Å; L44-C46 VanDerWaalsContact C-N 3.35Å; L44-C46 PolarHBondContact O-N 3.01Å; C46-K48 VanDerWaalsContact C-N 3.3Å; C46-K48 PolarHBondContact O-N 3.23Å; C46-V49 PolarHBondContact O-N 3.49Å; C46-L50 VanDerWaalsContact O-CG 3.31Å; C46-L50 WeakPolarHBondContact O-CG 3.29Å; C46-L50 PolarHBondContact O-N 3.31Å; C46-N80 HydrophobicContact CB-CB 4.26Å; C46-S81 PolarHBondContact N-OG 3.4Å; C46-S81 VanDerWaalsContact N-OG 3.11Å
47	A	89.5	Confident	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-33.6	178.7	0	0	0	0	0	112.5	L15 I18 L37 L38 L44 H45 K51	L15-A47 HydrophobicContact CD2-CB 3.83Å; I18-A47 HydrophobicContact CD1-CB 4.41Å; L37-A47 HydrophobicContact CD2-CB 3.89Å; L37-A47 HydrophobicContact CG-CB 4.46Å; L38-A47 HydrophobicContact CD2-CB 4Å; L38-A47 HydrophobicContact CG-CB 4.25Å; L44-A47 HydrophobicContact CB-CB 4.34Å; L44-A47 HydrophobicContact CD2-CB 3.91Å; L44-A47 HydrophobicContact CG-CB 4.03Å; L44-A47 WeakPolarHBondContact O-CB 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-A47 VanDerWaalsContact O-N 3.09Å; H45-A47 VanDerWaalsContact C-N 3.29Å; H45-A47 PolarHBondContact O-N 3.44Å; A47-K51 PolarHBondContact O-N 3.01Å
48	K	91.6	Very high	88	Confident	49 Å²	49	52.5 Å²	52.5	21%	0.213	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-38.1	175.5	-170.4	172.5	174.7	-176.4	0	111.6	L38 L44 H45 C46 K51 A52 L67 E70 V71	L38-K48 HydrophobicContact CD1-CB 4.35Å; L38-K48 HydrophobicContact CD2-CB 4.09Å; L44-K48 PolarHBondContact O-N 3.32Å; H45-K48 WeakPolarHBondContact O-CB 3.36Å; H45-K48 PolarHBondContact O-N 2.97Å; C46-K48 VanDerWaalsContact C-N 3.3Å; C46-K48 PolarHBondContact O-N 3.23Å; K48-K51 WeakPolarHBondContact O-CB 3.45Å; K48-K51 PolarHBondContact O-N 3.15Å; K48-A52 PolarHBondContact O-N 3.17Å; K48-A52 VanDerWaalsContact O-N 3.09Å; K48-L67 HydrophobicContact CG-CD2 4.2Å; K48-E70 WeakPolarHBondContact CE-OE2 3.46Å; K48-E70 IonicContact NZ-OE2 2.84Å; K48-E70 PolarHBondContact NZ-OE2 3.41Å; K48-V71 HydrophobicContact CB-CG2 4.02Å; K48-V71 HydrophobicContact CD-CG2 3.68Å; K48-V71 HydrophobicContact CG-CG2 3.92Å
49	V	92.3	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-41.8	174.6	-175.3	0	0	0	0	111.4	H45 C46 K51 A52 I53 V71 A84 L85 L88	H45-V49 WeakPolarHBondContact O-CG2 3.46Å; H45-V49 PolarHBondContact O-N 3.42Å; H45-V49 VanDerWaalsContact O-N 3.1Å; C46-V49 PolarHBondContact O-N 3.49Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.95Å; V49-A52 CarbonylContact O-C 3.3Å; V49-A52 WeakPolarHBondContact O-CA 3.31Å; V49-A52 VanDerWaalsContact O-CB 3.31Å; V49-A52 WeakPolarHBondContact O-CB 3.43Å; V49-A52 PolarHBondContact O-N 3.28Å; V49-I53 PolarHBondContact O-N 3.01Å; V49-V71 HydrophobicContact CG2-CB 3.94Å; V49-V71 HydrophobicContact CG2-CG1 3.7Å; V49-V71 HydrophobicContact CG2-CG2 3.92Å; V49-A84 HydrophobicContact CB-CB 3.98Å; V49-A84 VanDerWaalsContact CG1-C 3.44Å; V49-A84 HydrophobicContact CG1-CB 3.64Å; V49-L85 HydrophobicContact CG1-CB 4.49Å; V49-L85 HydrophobicContact CG1-CD2 3.88Å; V49-L85 HydrophobicContact CG1-CG 3.98Å; V49-L85 HydrophobicContact CG2-CD2 3.81Å; V49-L85 HydrophobicContact CG2-CG 3.81Å; V49-L88 HydrophobicContact CG1-CB 4.37Å; V49-L88 HydrophobicContact CG1-CD2 4.08Å
50	L	91.8	Very high	87	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-35.5	175.1	-66	172.5	0	0	0	112.2	L15 I18 Y19 L22 C46 A52 I53 G54 A84	L15-L50 HydrophobicContact CD2-CD1 4.01Å; I18-L50 HydrophobicContact CB-CD1 4.21Å; I18-L50 HydrophobicContact CG2-CB 3.71Å; I18-L50 HydrophobicContact CG2-CD1 3.97Å; I18-L50 HydrophobicContact CG2-CG 4.42Å; Y19-L50 HydrophobicContact CD1-CD2 4Å; Y19-L50 HydrophobicContact CD2-CD1 4.28Å; Y19-L50 HydrophobicContact CE1-CD1 4.23Å; Y19-L50 HydrophobicContact CE1-CD2 3.42Å; Y19-L50 VanDerWaalsContact CE1-CD2 3.42Å; Y19-L50 HydrophobicContact CE1-CG 4.45Å; Y19-L50 HydrophobicContact CE2-CD1 3.87Å; L22-L50 HydrophobicContact CD1-CB 4.19Å; L22-L50 HydrophobicContact CD1-CD2 3.89Å; C46-L50 VanDerWaalsContact O-CG 3.31Å; C46-L50 WeakPolarHBondContact O-CG 3.29Å; C46-L50 PolarHBondContact O-N 3.31Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-I53 HydrophobicContact CD2-CD1 4.25Å; L50-I53 PolarHBondContact O-N 3.4Å; L50-G54 PolarHBondContact O-N 2.8Å; L50-A84 HydrophobicContact CD2-CB 4.37Å
51	K	93.3	Very high	86.9	Confident	46 Å²	46	46.4 Å²	46.4	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-45.6	168.9	-179.9	179.3	172.2	175	0	111.3	I31 A34 D35 L38 A47 K48 V49 I53 G54 L55 L67	I31-K51 HydrophobicContact CG2-CG 4.36Å; A34-K51 HydrophobicContact CB-CB 3.76Å; A34-K51 HydrophobicContact CB-CG 4.44Å; D35-K51 WeakPolarHBondContact OD1-CD 3.44Å; D35-K51 VanDerWaalsContact OD1-CE 3.27Å; D35-K51 WeakPolarHBondContact OD1-CE 3.45Å; D35-K51 IonicContact OD1-NZ 3.71Å; D35-K51 PolarHBondContact OD1-NZ 3.35Å; D35-K51 IonicContact OD2-NZ 3.48Å; L38-K51 HydrophobicContact CD1-CD 4.17Å; A47-K51 PolarHBondContact O-N 3.01Å; K48-K51 WeakPolarHBondContact O-CB 3.45Å; K48-K51 PolarHBondContact O-N 3.15Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.95Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-I53 PolarHBondContact O-N 3.21Å; K51-G54 PolarHBondContact O-N 3.22Å; K51-G54 VanDerWaalsContact O-N 3.16Å; K51-L55 HydrophobicContact CG-CD1 4.17Å; K51-L55 WeakPolarHBondContact O-CG 3.31Å; K51-L55 PolarHBondContact O-N 3.08Å; K51-L67 HydrophobicContact CD-CD1 4.15Å; K51-L67 HydrophobicContact CG-CD1 4.27Å
52	A	92.7	Very high	86.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-38.3	177.8	0	0	0	0	0	112.2	K48 V49 L50 L55 Q56 A64 L67 L88	K48-A52 PolarHBondContact O-N 3.17Å; K48-A52 VanDerWaalsContact O-N 3.09Å; V49-A52 CarbonylContact O-C 3.3Å; V49-A52 WeakPolarHBondContact O-CA 3.31Å; V49-A52 VanDerWaalsContact O-CB 3.31Å; V49-A52 WeakPolarHBondContact O-CB 3.43Å; V49-A52 PolarHBondContact O-N 3.28Å; L50-A52 VanDerWaalsContact C-N 3.34Å; A52-L55 PolarHBondContact O-N 3.11Å; A52-Q56 VanDerWaalsContact O-CB 3.32Å; A52-Q56 WeakPolarHBondContact O-CB 3.38Å; A52-Q56 PolarHBondContact O-N 2.87Å; A52-A64 HydrophobicContact CB-CB 4.4Å; A52-A64 VanDerWaalsContact O-CB 3.3Å; A52-A64 WeakPolarHBondContact O-CB 3.29Å; A52-L67 HydrophobicContact CB-CB 3.92Å; A52-L67 HydrophobicContact CB-CD1 4.32Å; A52-L88 HydrophobicContact CB-CD2 3.59Å
53	I	89.8	Confident	87.2	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-45.7	171.2	-66.4	172.4	0	0	0	111.2	L22 V49 L50 K51 L55 Q56 R57 I87 L88	L22-I53 HydrophobicContact CD1-CG2 4.27Å; L22-I53 HydrophobicContact CD2-CG2 4.19Å; V49-I53 PolarHBondContact O-N 3.01Å; L50-I53 HydrophobicContact CD2-CD1 4.25Å; L50-I53 PolarHBondContact O-N 3.4Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-I53 PolarHBondContact O-N 3.21Å; I53-L55 VanDerWaalsContact C-N 3.3Å; I53-L55 PolarHBondContact O-N 3.02Å; I53-Q56 WeakPolarHBondContact O-CB 3.22Å; I53-Q56 PolarHBondContact O-N 2.92Å; I53-R57 HydrophobicContact CG2-CG 4.5Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 2.83Å; I53-I87 HydrophobicContact CD1-CB 4.24Å; I53-I87 HydrophobicContact CD1-CG2 3.96Å; I53-L88 HydrophobicContact CD1-CB 4.33Å; I53-L88 HydrophobicContact CG1-CB 3.78Å; I53-L88 HydrophobicContact CG1-CD1 3.93Å; I53-L88 HydrophobicContact CG1-CG 4.31Å
54	G	89.6	Confident	87.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-43.9	174.4	0	0	0	0	0	112.3	L50 K51 R57 T58	L50-G54 PolarHBondContact O-N 2.8Å; K51-G54 PolarHBondContact O-N 3.22Å; K51-G54 VanDerWaalsContact O-N 3.16Å; G54-R57 PolarHBondContact O-N 2.65Å; G54-T58 VanDerWaalsContact O-CG2 3.31Å; G54-T58 WeakPolarHBondContact O-CG2 3.46Å; G54-T58 PolarHBondContact O-N 3.29Å; G54-T58 PolarHBondContact O-OG1 2.93Å
55	L	89.2	Confident	87.9	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-44.9	177.5	-71.8	168.5	0	0	0	112.1	I31 K51 A52 I53 R57 T58 G59 K60 E63 A64 L67	I31-L55 HydrophobicContact CD1-CD2 4.01Å; I31-L55 HydrophobicContact CD1-CG 4.28Å; I31-L55 HydrophobicContact CG1-CG 4.5Å; K51-L55 HydrophobicContact CG-CD1 4.17Å; K51-L55 WeakPolarHBondContact O-CG 3.31Å; K51-L55 PolarHBondContact O-N 3.08Å; A52-L55 PolarHBondContact O-N 3.11Å; I53-L55 VanDerWaalsContact C-N 3.3Å; I53-L55 PolarHBondContact O-N 3.02Å; L55-R57 PolarHBondContact O-N 3.33Å; L55-T58 WeakPolarHBondContact CA-OG1 3.45Å; L55-T58 CarbonylContact O-C 3.51Å; L55-T58 PolarHBondContact O-N 3.02Å; L55-T58 PolarHBondContact O-OG1 2.64Å; L55-G59 PolarHBondContact O-N 3.42Å; L55-K60 HydrophobicContact CB-CB 4.24Å; L55-K60 HydrophobicContact CD2-CB 4.24Å; L55-K60 HydrophobicContact CD2-CD 3.57Å; L55-K60 PolarHBondContact O-N 2.89Å; L55-E63 HydrophobicContact CD1-CB 4.29Å; L55-A64 HydrophobicContact CB-CB 3.96Å; L55-L67 HydrophobicContact CD1-CD1 3.62Å
56	Q	87.3	Confident	88.2	Confident	13 Å²	13	40.1 Å²	40.1	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-53	-52	175.4	177.7	64.8	10.9	0	0	111	A52 I53 T58 G59 Q61 A64 L88 E91 M92	A52-Q56 VanDerWaalsContact O-CB 3.32Å; A52-Q56 WeakPolarHBondContact O-CB 3.38Å; A52-Q56 PolarHBondContact O-N 2.87Å; I53-Q56 WeakPolarHBondContact O-CB 3.22Å; I53-Q56 PolarHBondContact O-N 2.92Å; Q56-T58 PolarHBondContact O-N 3.07Å; Q56-G59 PolarHBondContact O-N 3.24Å; Q56-Q61 VanDerWaalsContact CD-CD 3.44Å; Q56-Q61 PolarHBondContact O-NE2 3.45Å; Q56-A64 HydrophobicContact CB-CB 4.06Å; Q56-L88 HydrophobicContact CB-CD1 3.9Å; Q56-L88 HydrophobicContact CG-CD1 4.1Å; Q56-E91 HydrophobicContact CG-CB 4.27Å; Q56-E91 PolarHBondContact NE2-O 2.83Å; Q56-E91 VanDerWaalsContact NE2-O 3.13Å; Q56-M92 HydrophobicContact CG-CG 4.27Å
57	R	83.6	Confident	88.4	Confident	95 Å²	95	41.4 Å²	41.4	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-70.1	-12.4	179.8	-65.3	177.7	178.7	-171.9	0	114.1	L22 N27 I53 G54 L55 E91	L22-R57 PolarHBondContact O-NH1 3.13Å; N27-R57 HydrophobicContact CB-CB 4.48Å; N27-R57 WeakPolarHBondContact ND2-CB 3.35Å; N27-R57 VanDerWaalsContact OD1-CD 3.27Å; N27-R57 WeakPolarHBondContact OD1-CD 3.45Å; I53-R57 HydrophobicContact CG2-CG 4.5Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 2.83Å; G54-R57 PolarHBondContact O-N 2.65Å; L55-R57 PolarHBondContact O-N 3.33Å; R57-E91 WeakPolarHBondContact CG-OE2 3.19Å; R57-E91 IonicContact CZ-OE1 3.64Å; R57-E91 IonicContact CZ-OE2 3.46Å; R57-E91 IonicContact NE-OE1 3.93Å; R57-E91 PolarHBondContact NE-OE1 3.31Å; R57-E91 IonicContact NE-OE2 3.18Å; R57-E91 PolarHBondContact NE-OE2 3.11Å; R57-E91 IonicContact NH2-OE1 2.75Å; R57-E91 PolarHBondContact NH2-OE1 3.19Å; R57-E91 IonicContact NH2-OE2 3.73Å
58	T	83.6	Confident	88.6	Confident	55 Å²	55	41.4 Å²	41.4	34%	0.337	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	4.9	172.1	60.1	0	0	0	0	113.7	N27 I31 G54 L55 Q56	N27-T58 HydrophobicContact CB-CG2 3.69Å; I31-T58 HydrophobicContact CD1-CG2 4.24Å; G54-T58 VanDerWaalsContact O-CG2 3.31Å; G54-T58 WeakPolarHBondContact O-CG2 3.46Å; G54-T58 PolarHBondContact O-N 3.29Å; G54-T58 PolarHBondContact O-OG1 2.93Å; L55-T58 WeakPolarHBondContact CA-OG1 3.45Å; L55-T58 CarbonylContact O-C 3.51Å; L55-T58 PolarHBondContact O-N 3.02Å; L55-T58 PolarHBondContact O-OG1 2.64Å; Q56-T58 PolarHBondContact O-N 3.07Å
59	G	76.6	Confident	88.6	Confident	57 Å²	57	44 Å²	44	59%	0.588	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	1.1	178.2	0	0	0	0	0	115	L55 Q56 Q61	L55-G59 PolarHBondContact O-N 3.42Å; Q56-G59 PolarHBondContact O-N 3.24Å; G59-Q61 VanDerWaalsContact C-N 3.31Å; G59-Q61 PolarHBondContact O-N 2.83Å; G59-Q61 VanDerWaalsContact O-N 3.08Å
60	K	83.9	Confident	88.5	Confident	95 Å²	95	48.2 Å²	48.2	41%	0.413	24%	0.244	S	C	.	.			trans	-88.5	63.8	-179.1	-66	-179.8	157.6	-135.1	0	112.1	L55 E62 E63 A64	L55-K60 HydrophobicContact CB-CB 4.24Å; L55-K60 HydrophobicContact CD2-CB 4.24Å; L55-K60 HydrophobicContact CD2-CD 3.57Å; L55-K60 PolarHBondContact O-N 2.89Å; K60-E62 PolarHBondContact O-N 2.99Å; K60-E63 HydrophobicContact CB-CB 4.39Å; K60-E63 IonicContact NZ-OE1 3.1Å; K60-E63 PolarHBondContact NZ-OE1 3.05Å; K60-E63 IonicContact NZ-OE2 2.73Å; K60-E63 PolarHBondContact NZ-OE2 3.14Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 2.93Å
61	Q	84.2	Confident	88.5	Confident	84 Å²	84	48.1 Å²	48.1	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-46	-171.6	-59.8	-71.4	-44.7	0	0	113.3	Q56 G59 A64 F65	Q56-Q61 VanDerWaalsContact CD-CD 3.44Å; Q56-Q61 PolarHBondContact O-NE2 3.45Å; G59-Q61 VanDerWaalsContact C-N 3.31Å; G59-Q61 PolarHBondContact O-N 2.83Å; G59-Q61 VanDerWaalsContact O-N 3.08Å; Q61-A64 PolarHBondContact O-N 3.49Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.33Å
62	E	83	Confident	88.4	Confident	130 Å²	130	47.1 Å²	47.1	61%	0.607	24%	0.243	S	C	*	.	H	α-helix	trans	-65	-45.9	-178.1	-67	180	-178.2	0	0	111.8	K60 F65 T66 K636	K60-E62 PolarHBondContact O-N 2.99Å; E62-F65 PolarHBondContact O-N 2.8Å; E62-T66 WeakPolarHBondContact O-CB 3.47Å; E62-T66 PolarHBondContact O-N 3.01Å; E62-T66 PolarHBondContact O-OG1 3.44Å; E62-K636 VanDerWaalsContact OE1-CE 3.27Å; E62-K636 WeakPolarHBondContact OE1-CE 3.38Å; E62-K636 IonicContact OE1-NZ 2.74Å; E62-K636 PolarHBondContact OE1-NZ 3.4Å; E62-K636 IonicContact OE2-NZ 3.52Å
63	E	88.4	Confident	88.4	Confident	96 Å²	96	51 Å²	51	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-44.6	175.5	-67.2	-179	-138.6	0	0	111.3	L55 K60 T66 L67	L55-E63 HydrophobicContact CD1-CB 4.29Å; K60-E63 HydrophobicContact CB-CB 4.39Å; K60-E63 IonicContact NZ-OE1 3.1Å; K60-E63 PolarHBondContact NZ-OE1 3.05Å; K60-E63 IonicContact NZ-OE2 2.73Å; K60-E63 PolarHBondContact NZ-OE2 3.14Å; E63-T66 PolarHBondContact O-N 2.78Å; E63-L67 PolarHBondContact O-N 3.16Å
64	A	90.8	Very high	88.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-45.8	177.7	0	0	0	0	0	111.8	A52 L55 Q56 K60 Q61 T66 L67 A68	A52-A64 HydrophobicContact CB-CB 4.4Å; A52-A64 VanDerWaalsContact O-CB 3.3Å; A52-A64 WeakPolarHBondContact O-CB 3.29Å; L55-A64 HydrophobicContact CB-CB 3.96Å; Q56-A64 HydrophobicContact CB-CB 4.06Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 2.93Å; Q61-A64 PolarHBondContact O-N 3.49Å; A64-T66 VanDerWaalsContact C-N 3.33Å; A64-T66 PolarHBondContact O-N 3.24Å; A64-L67 PolarHBondContact O-N 3.09Å; A64-A68 PolarHBondContact O-N 2.95Å
65	F	90.3	Very high	88.4	Confident	38 Å²	38	59.2 Å²	59.2	17%	0.167	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-40.2	179.6	-164.4	-124.3	0	0	0	112.2	Q61 E62 A68 Q69 Y89 M92 R94 L97	Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.33Å; E62-F65 PolarHBondContact O-N 2.8Å; F65-A68 WeakPolarHBondContact O-CB 3.43Å; F65-A68 PolarHBondContact O-N 3.44Å; F65-Q69 HydrophobicContact CD1-CG 4.3Å; F65-Q69 HydrophobicContact CE1-CG 3.99Å; F65-Q69 HydrophobicContact CE2-CG 4.36Å; F65-Q69 HydrophobicContact CZ-CG 4Å; F65-Q69 VanDerWaalsContact CZ-NE2 3.33Å; F65-Q69 WeakPolarHBondContact O-CG 3.36Å; F65-Q69 PolarHBondContact O-N 3.08Å; F65-Y89 HydrophobicContact CE2-CE1 4.24Å; F65-M92 HydrophobicContact CB-CE 3.57Å; F65-M92 HydrophobicContact CD2-CE 3.34Å; F65-M92 HydrophobicContact CD2-SD 3.9Å; F65-M92 HydrophobicContact CE2-CE 4.37Å; F65-M92 HydrophobicContact CG-CE 3.81Å; F65-R94 VanDerWaalsContact CE1-NH1 3.28Å; F65-L97 HydrophobicContact CE2-CD1 3.65Å; F65-L97 HydrophobicContact CZ-CD1 4.07Å
66	T	92.9	Very high	88.4	Confident	69 Å²	69	59.2 Å²	59.2	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-48.3	178.7	-57.5	0	0	0	0	110.5	E62 E63 A64 A68 Q69 E70	E62-T66 WeakPolarHBondContact O-CB 3.47Å; E62-T66 PolarHBondContact O-N 3.01Å; E62-T66 PolarHBondContact O-OG1 3.44Å; E63-T66 PolarHBondContact O-N 2.78Å; A64-T66 VanDerWaalsContact C-N 3.33Å; A64-T66 PolarHBondContact O-N 3.24Å; T66-A68 VanDerWaalsContact C-N 3.33Å; T66-A68 PolarHBondContact O-N 3.43Å; T66-Q69 PolarHBondContact O-N 2.93Å; T66-E70 WeakPolarHBondContact O-CG 3.34Å; T66-E70 PolarHBondContact O-N 3.33Å
67	L	92.4	Very high	88.4	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-38.1	175.8	-68	176.7	0	0	0	112.7	K48 K51 A52 L55 E63 A64 V71	K48-L67 HydrophobicContact CG-CD2 4.2Å; K51-L67 HydrophobicContact CD-CD1 4.15Å; K51-L67 HydrophobicContact CG-CD1 4.27Å; A52-L67 HydrophobicContact CB-CB 3.92Å; A52-L67 HydrophobicContact CB-CD1 4.32Å; L55-L67 HydrophobicContact CD1-CD1 3.62Å; E63-L67 PolarHBondContact O-N 3.16Å; A64-L67 PolarHBondContact O-N 3.09Å; L67-V71 WeakPolarHBondContact O-CG2 3.49Å; L67-V71 PolarHBondContact O-N 2.89Å
68	A	92.6	Very high	88.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.7	0	0	0	0	0	111.7	A64 F65 T66 V71 A72 L85 L88 Y89	A64-A68 PolarHBondContact O-N 2.95Å; F65-A68 WeakPolarHBondContact O-CB 3.43Å; F65-A68 PolarHBondContact O-N 3.44Å; T66-A68 VanDerWaalsContact C-N 3.33Å; T66-A68 PolarHBondContact O-N 3.43Å; A68-V71 PolarHBondContact O-N 3.22Å; A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 3.3Å; A68-L85 HydrophobicContact CB-CD2 4.33Å; A68-L88 HydrophobicContact CB-CD2 3.51Å; A68-L88 HydrophobicContact CB-CG 4.49Å; A68-Y89 HydrophobicContact CB-CE1 3.94Å
69	Q	91.9	Very high	88.6	Confident	105 Å²	105	60.2 Å²	60.2	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.1	-76.2	-167.6	-22.2	0	0	112	F65 T66 V71 A72 A73	F65-Q69 HydrophobicContact CD1-CG 4.3Å; F65-Q69 HydrophobicContact CE1-CG 3.99Å; F65-Q69 HydrophobicContact CE2-CG 4.36Å; F65-Q69 HydrophobicContact CZ-CG 4Å; F65-Q69 VanDerWaalsContact CZ-NE2 3.33Å; F65-Q69 WeakPolarHBondContact O-CG 3.36Å; F65-Q69 PolarHBondContact O-N 3.08Å; T66-Q69 PolarHBondContact O-N 2.93Å; Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.49Å; Q69-A72 PolarHBondContact O-N 3.2Å; Q69-A73 WeakPolarHBondContact O-CB 3.15Å; Q69-A73 PolarHBondContact O-N 2.94Å
70	E	91.8	Very high	89.1	Confident	88 Å²	88	59.8 Å²	59.8	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-40.8	176.8	-74	174.4	-169.4	0	0	112	K48 T66	K48-E70 WeakPolarHBondContact CE-OE2 3.46Å; K48-E70 IonicContact NZ-OE2 2.84Å; K48-E70 PolarHBondContact NZ-OE2 3.41Å; T66-E70 WeakPolarHBondContact O-CG 3.34Å; T66-E70 PolarHBondContact O-N 3.33Å
71	V	91.9	Very high	89.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-75.8	-43.2	177.7	179.7	0	0	0	0	111.5	H45 K48 V49 L67 A68 Q69 A73 L74 L85	H45-V71 HydrophobicContact CB-CG1 3.85Å; K48-V71 HydrophobicContact CB-CG2 4.02Å; K48-V71 HydrophobicContact CD-CG2 3.68Å; K48-V71 HydrophobicContact CG-CG2 3.92Å; V49-V71 HydrophobicContact CG2-CB 3.94Å; V49-V71 HydrophobicContact CG2-CG1 3.7Å; V49-V71 HydrophobicContact CG2-CG2 3.92Å; L67-V71 WeakPolarHBondContact O-CG2 3.49Å; L67-V71 PolarHBondContact O-N 2.89Å; A68-V71 PolarHBondContact O-N 3.22Å; Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.49Å; V71-A73 VanDerWaalsContact C-N 3.27Å; V71-A73 PolarHBondContact O-N 3.48Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.05Å; V71-L74 VanDerWaalsContact O-N 3.1Å; V71-L85 HydrophobicContact CG1-CD1 4.15Å
72	A	90.7	Very high	89.7	Confident	25 Å²	25	51.3 Å²	51.3	21%	0.207	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-33.4	-179.7	0	0	0	0	0	112.6	A68 Q69 L74 E75 L85 Y89	A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 3.3Å; Q69-A72 PolarHBondContact O-N 3.2Å; A72-L74 PolarHBondContact O-N 3.2Å; A72-E75 PolarHBondContact O-N 3.43Å; A72-L85 HydrophobicContact CB-CD1 4.39Å; A72-Y89 VanDerWaalsContact CB-OH 3.31Å; A72-Y89 WeakPolarHBondContact CB-OH 3.46Å
73	A	91.3	Very high	90	Very high	81 Å²	81	48.1 Å²	48.1	67%	0.669	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.8	176	0	0	0	0	0	113.7	Q69 V71 E75	Q69-A73 WeakPolarHBondContact O-CB 3.15Å; Q69-A73 PolarHBondContact O-N 2.94Å; V71-A73 VanDerWaalsContact C-N 3.27Å; V71-A73 PolarHBondContact O-N 3.48Å; A73-E75 PolarHBondContact O-N 2.91Å
74	L	90.3	Very high	90.1	Very high	91 Å²	91	43.6 Å²	43.6	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.3	174.8	-57.3	173.4	0	0	0	112.4	H45 V71 A72 K108	H45-L74 VanDerWaalsContact NE2-CD1 3.31Å; H45-L74 WeakPolarHBondContact NE2-CD1 3.46Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.05Å; V71-L74 VanDerWaalsContact O-N 3.1Å; A72-L74 PolarHBondContact O-N 3.2Å; L74-K108 PolarHBondContact O-NZ 3.19Å
75	E	89.8	Confident	90.2	Very high	86 Å²	86	43.6 Å²	43.6	40%	0.402	24%	0.239	S	C	.	.			trans	49.1	65.1	-179.3	-65.9	-177.2	153.3	0	0	111.4	A72 A73 A104 K108	A72-E75 PolarHBondContact O-N 3.43Å; A73-E75 PolarHBondContact O-N 2.91Å; E75-A104 HydrophobicContact CB-CB 4.28Å; E75-A104 HydrophobicContact CG-CB 3.94Å; E75-K108 PolarHBondContact O-NZ 2.96Å; E75-K108 WeakPolarHBondContact OE2-CE 3.49Å; E75-K108 IonicContact OE2-NZ 3.67Å; E75-K108 PolarHBondContact OE2-NZ 3.02Å
76	P	88.7	Confident	90.1	Very high	7 Å²	7	42 Å²	42	5%	0.045	23%	0.233	C	C	.	.			trans	-61.1	149.2	-177.3	26.4	-34.1	0	0	0	111.1	L82 L85 L101	P76-L82 HydrophobicContact CG-CD2 4.24Å; P76-L85 HydrophobicContact CG-CD1 3.98Å; P76-L101 HydrophobicContact CG-CD1 4.14Å
77	T	87.4	Confident	89.9	Confident	56 Å²	56	41.7 Å²	41.7	34%	0.344	23%	0.228	S	C	.	.			trans	-125.2	5.9	176.5	53.3	0	0	0	0	112.2	K108 V109 Y115	T77-K108 HydrophobicContact CG2-CB 3.92Å; T77-K108 HydrophobicContact CG2-CD 3.66Å; T77-K108 HydrophobicContact CG2-CG 4.41Å; T77-V109 HydrophobicContact CG2-CG2 4.45Å; T77-Y115 PolarHBondContact O-OH 3.47Å
78	D	87.4	Confident	89.8	Confident	65 Å²	65	40.4 Å²	40.4	35%	0.348	22%	0.221	S	C	.	.	S	Bend	trans	-88.8	136	172.7	64.2	-70.4	0	0	0	110.9	N80 S81 L82	D78-N80 VanDerWaalsContact C-N 3.32Å; D78-N80 PolarHBondContact O-N 3.34Å; D78-S81 VanDerWaalsContact CG-OG 3.29Å; D78-S81 PolarHBondContact O-N 2.99Å; D78-S81 WeakPolarHBondContact OD1-CB 3.39Å; D78-S81 PolarHBondContact OD1-OG 2.83Å; D78-S81 WeakPolarHBondContact OD2-CB 3.41Å; D78-S81 PolarHBondContact OD2-N 3.38Å; D78-S81 PolarHBondContact OD2-OG 3.35Å; D78-L82 WeakPolarHBondContact O-CG 3.32Å; D78-L82 PolarHBondContact O-N 2.97Å; D78-L82 VanDerWaalsContact O-N 3.13Å
79	D	84.8	Confident	89.7	Confident	63 Å²	63	40.8 Å²	40.8	34%	0.337	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-41	-174.5	-177.2	56	0	0	0	112.7	S81 L82 Q83	D79-S81 PolarHBondContact O-N 2.96Å; D79-L82 PolarHBondContact O-N 3.47Å; D79-Q83 WeakPolarHBondContact O-CB 3.37Å; D79-Q83 PolarHBondContact O-N 3.19Å
80	N	87	Confident	89.2	Confident	48 Å²	48	38.6 Å²	38.6	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-57	-49	178.9	-79.4	-30.5	0	0	0	112.8	D12 C46 D78 A84	D12-N80 PolarHBondContact OD1-ND2 3.24Å; C46-N80 HydrophobicContact CB-CB 4.26Å; D78-N80 VanDerWaalsContact C-N 3.32Å; D78-N80 PolarHBondContact O-N 3.34Å; N80-A84 VanDerWaalsContact O-CB 3.29Å; N80-A84 WeakPolarHBondContact O-CB 3.2Å; N80-A84 PolarHBondContact O-N 3.33Å
81	S	89.4	Confident	88.7	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-37.3	178	-58.9	0	0	0	0	112.1	C46 D78 D79 L85	C46-S81 PolarHBondContact N-OG 3.4Å; C46-S81 VanDerWaalsContact N-OG 3.11Å; D78-S81 VanDerWaalsContact CG-OG 3.29Å; D78-S81 PolarHBondContact O-N 2.99Å; D78-S81 WeakPolarHBondContact OD1-CB 3.39Å; D78-S81 PolarHBondContact OD1-OG 2.83Å; D78-S81 WeakPolarHBondContact OD2-CB 3.41Å; D78-S81 PolarHBondContact OD2-N 3.38Å; D78-S81 PolarHBondContact OD2-OG 3.35Å; D79-S81 PolarHBondContact O-N 2.96Å; S81-L85 WeakPolarHBondContact O-CB 3.35Å; S81-L85 WeakPolarHBondContact O-CG 3.42Å; S81-L85 PolarHBondContact O-N 3.01Å
82	L	91.1	Very high	88.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-44.5	177.5	-70.8	173.6	0	0	0	112	P76 D78 D79 L85 T86 L101 Y102 A105 Y115	P76-L82 HydrophobicContact CG-CD2 4.24Å; D78-L82 WeakPolarHBondContact O-CG 3.32Å; D78-L82 PolarHBondContact O-N 2.97Å; D78-L82 VanDerWaalsContact O-N 3.13Å; D79-L82 PolarHBondContact O-N 3.47Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-T86 WeakPolarHBondContact O-CB 3Å; L82-T86 PolarHBondContact O-N 3.4Å; L82-T86 PolarHBondContact O-OG1 3.05Å; L82-L101 HydrophobicContact CD2-CD1 3.65Å; L82-L101 HydrophobicContact CD2-CD2 3.82Å; L82-L101 HydrophobicContact CD2-CG 3.48Å; L82-L101 VanDerWaalsContact CD2-CG 3.48Å; L82-Y102 HydrophobicContact CB-CE1 4.28Å; L82-Y102 HydrophobicContact CD1-CE1 4.13Å; L82-A105 HydrophobicContact CD1-CB 4.2Å; L82-A105 HydrophobicContact CD2-CB 4.45Å; L82-Y115 HydrophobicContact CD1-CE1 4.03Å
83	Q	89.7	Confident	87.7	Confident	64 Å²	64	41.3 Å²	41.3	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-67.8	-44	176.2	-79.7	-63.5	-1.6	0	0	112.2	D79 L85 T86 I87	D79-Q83 WeakPolarHBondContact O-CB 3.37Å; D79-Q83 PolarHBondContact O-N 3.19Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 2.92Å; Q83-T86 WeakPolarHBondContact O-CB 3.26Å; Q83-T86 PolarHBondContact O-N 3.43Å; Q83-T86 VanDerWaalsContact O-N 3.15Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 3.49Å
84	A	90.2	Very high	87.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-42.8	176	0	0	0	0	0	111.4	V49 L50 N80 T86 I87 L88	V49-A84 HydrophobicContact CB-CB 3.98Å; V49-A84 VanDerWaalsContact CG1-C 3.44Å; V49-A84 HydrophobicContact CG1-CB 3.64Å; L50-A84 HydrophobicContact CD2-CB 4.37Å; N80-A84 VanDerWaalsContact O-CB 3.29Å; N80-A84 WeakPolarHBondContact O-CB 3.2Å; N80-A84 PolarHBondContact O-N 3.33Å; A84-T86 VanDerWaalsContact C-N 3.34Å; A84-I87 PolarHBondContact O-N 3.25Å; A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 3.46Å
85	L	92.3	Very high	87.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-37.8	175.9	-80.5	171.1	0	0	0	111.7	V49 A68 V71 A72 P76 S81 L82 Q83 L88 Y89 L101	V49-L85 HydrophobicContact CG1-CB 4.49Å; V49-L85 HydrophobicContact CG1-CD2 3.88Å; V49-L85 HydrophobicContact CG1-CG 3.98Å; V49-L85 HydrophobicContact CG2-CD2 3.81Å; V49-L85 HydrophobicContact CG2-CG 3.81Å; A68-L85 HydrophobicContact CB-CD2 4.33Å; V71-L85 HydrophobicContact CG1-CD1 4.15Å; A72-L85 HydrophobicContact CB-CD1 4.39Å; P76-L85 HydrophobicContact CG-CD1 3.98Å; S81-L85 WeakPolarHBondContact O-CB 3.35Å; S81-L85 WeakPolarHBondContact O-CG 3.42Å; S81-L85 PolarHBondContact O-N 3.01Å; L82-L85 PolarHBondContact O-N 2.9Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 2.92Å; L85-L88 PolarHBondContact O-N 2.9Å; L85-Y89 HydrophobicContact CB-CE2 4.4Å; L85-Y89 HydrophobicContact CD2-CE2 4.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.37Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.99Å; L85-L101 HydrophobicContact CB-CD2 3.61Å; L85-L101 HydrophobicContact CD1-CD1 3.68Å; L85-L101 HydrophobicContact CD1-CD2 4.09Å
86	T	89.7	Confident	87.2	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175.2	-63.9	0	0	0	0	111.3	L82 Q83 A84 R90 V98 Y102	L82-T86 WeakPolarHBondContact O-CB 3Å; L82-T86 PolarHBondContact O-N 3.4Å; L82-T86 PolarHBondContact O-OG1 3.05Å; Q83-T86 WeakPolarHBondContact O-CB 3.26Å; Q83-T86 PolarHBondContact O-N 3.43Å; Q83-T86 VanDerWaalsContact O-N 3.15Å; A84-T86 VanDerWaalsContact C-N 3.34Å; T86-R90 WeakPolarHBondContact O-CB 3.48Å; T86-R90 WeakPolarHBondContact O-CD 3.29Å; T86-R90 WeakPolarHBondContact O-CG 3.48Å; T86-R90 PolarHBondContact O-N 3.28Å; T86-R90 VanDerWaalsContact O-N 3.12Å; T86-V98 HydrophobicContact CG2-CG1 3.85Å; T86-V98 HydrophobicContact CG2-CG2 4.32Å; T86-Y102 WeakPolarHBondContact OG1-CE2 3.39Å
87	I	87.6	Confident	87.3	Confident	63 Å²	63	41.8 Å²	41.8	32%	0.323	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-48.5	175.1	-67	166.1	0	0	0	110.1	I53 Q83 A84 R90 E91	I53-I87 HydrophobicContact CD1-CB 4.24Å; I53-I87 HydrophobicContact CD1-CG2 3.96Å; Q83-I87 WeakPolarHBondContact O-CG1 3.42Å; Q83-I87 PolarHBondContact O-N 3.49Å; A84-I87 PolarHBondContact O-N 3.25Å; I87-R90 WeakPolarHBondContact O-CB 3.28Å; I87-R90 PolarHBondContact O-N 3.44Å; I87-E91 WeakPolarHBondContact O-CG 3.49Å; I87-E91 PolarHBondContact O-N 3.4Å
88	L	90.2	Very high	87.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-54.3	-179.7	179.4	56.7	0	0	0	111.8	V49 A52 I53 Q56 A68 A84 L85 R90 E91 M92	V49-L88 HydrophobicContact CG1-CB 4.37Å; V49-L88 HydrophobicContact CG1-CD2 4.08Å; A52-L88 HydrophobicContact CB-CD2 3.59Å; I53-L88 HydrophobicContact CD1-CB 4.33Å; I53-L88 HydrophobicContact CG1-CB 3.78Å; I53-L88 HydrophobicContact CG1-CD1 3.93Å; I53-L88 HydrophobicContact CG1-CG 4.31Å; Q56-L88 HydrophobicContact CB-CD1 3.9Å; Q56-L88 HydrophobicContact CG-CD1 4.1Å; A68-L88 HydrophobicContact CB-CD2 3.51Å; A68-L88 HydrophobicContact CB-CG 4.49Å; A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 3.46Å; L85-L88 PolarHBondContact O-N 2.9Å; L88-R90 PolarHBondContact O-N 2.87Å; L88-E91 CarbonylContact O-C 3.57Å; L88-E91 WeakPolarHBondContact O-CA 3.33Å; L88-E91 PolarHBondContact O-N 3Å; L88-M92 HydrophobicContact CD1-CG 4.04Å; L88-M92 HydrophobicContact CD1-SD 3.92Å; L88-M92 HydrophobicContact CG-CG 4.38Å; L88-M92 HydrophobicContact CG-SD 3.89Å; L88-M92 VanDerWaalsContact O-CG 3.22Å; L88-M92 WeakPolarHBondContact O-CG 3.35Å; L88-M92 PolarHBondContact O-N 3.06Å
89	Y	89.9	Confident	87.8	Confident	9 Å²	9	36.5 Å²	36.5	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-29.3	-179.5	-70.4	-37.2	0	0	0	113.2	F65 A68 A72 L85 M92 H93 R94 L97 V98	F65-Y89 HydrophobicContact CE2-CE1 4.24Å; A68-Y89 HydrophobicContact CB-CE1 3.94Å; A72-Y89 VanDerWaalsContact CB-OH 3.31Å; A72-Y89 WeakPolarHBondContact CB-OH 3.46Å; L85-Y89 HydrophobicContact CB-CE2 4.4Å; L85-Y89 HydrophobicContact CD2-CE2 4.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.37Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.99Å; Y89-M92 HydrophobicContact CD1-SD 4.29Å; Y89-M92 PolarHBondContact O-N 3.37Å; Y89-H93 PolarHBondContact O-N 2.9Å; Y89-R94 CarbonylContact O-C 3.57Å; Y89-R94 PolarHBondContact O-N 2.94Å; Y89-L97 HydrophobicContact CD1-CB 3.97Å; Y89-L97 HydrophobicContact CD1-CD1 3.63Å; Y89-L97 HydrophobicContact CD1-CG 4.44Å; Y89-L97 HydrophobicContact CD2-CB 3.6Å; Y89-L97 HydrophobicContact CE1-CB 4.06Å; Y89-L97 HydrophobicContact CE1-CD1 3.48Å; Y89-L97 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L97 HydrophobicContact CE1-CG 4.42Å; Y89-L97 HydrophobicContact CE2-CB 3.69Å; Y89-L97 HydrophobicContact CG-CB 3.74Å; Y89-L97 HydrophobicContact CG-CD1 4.27Å; Y89-V98 HydrophobicContact CD2-CG2 4.31Å
90	R	82.8	Confident	88.2	Confident	58 Å²	58	39.8 Å²	39.8	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-44.8	170.2	-72.8	172.8	70.2	-179.4	9	112.2	T86 I87 L88 M92 H93 E579	T86-R90 WeakPolarHBondContact O-CB 3.48Å; T86-R90 WeakPolarHBondContact O-CD 3.29Å; T86-R90 WeakPolarHBondContact O-CG 3.48Å; T86-R90 PolarHBondContact O-N 3.28Å; T86-R90 VanDerWaalsContact O-N 3.12Å; I87-R90 WeakPolarHBondContact O-CB 3.28Å; I87-R90 PolarHBondContact O-N 3.44Å; L88-R90 PolarHBondContact O-N 2.87Å; R90-M92 PolarHBondContact O-N 2.9Å; R90-H93 PolarHBondContact O-N 2.88Å; R90-H93 VanDerWaalsContact O-N 3.1Å; R90-E579 IonicContact NH1-OE2 3.7Å; R90-E579 IonicContact NH2-OE2 3.82Å
91	E	81.7	Confident	88.6	Confident	41 Å²	41	38 Å²	38	19%	0.192	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-19.1	175.7	-71.4	-173.6	-173.2	0	0	113.1	Q56 R57 I87 L88 H93	Q56-E91 HydrophobicContact CG-CB 4.27Å; Q56-E91 PolarHBondContact NE2-O 2.83Å; Q56-E91 VanDerWaalsContact NE2-O 3.13Å; R57-E91 WeakPolarHBondContact CG-OE2 3.19Å; R57-E91 IonicContact CZ-OE1 3.64Å; R57-E91 IonicContact CZ-OE2 3.46Å; R57-E91 IonicContact NE-OE1 3.93Å; R57-E91 PolarHBondContact NE-OE1 3.31Å; R57-E91 IonicContact NE-OE2 3.18Å; R57-E91 PolarHBondContact NE-OE2 3.11Å; R57-E91 IonicContact NH2-OE1 2.75Å; R57-E91 PolarHBondContact NH2-OE1 3.19Å; R57-E91 IonicContact NH2-OE2 3.73Å; I87-E91 WeakPolarHBondContact O-CG 3.49Å; I87-E91 PolarHBondContact O-N 3.4Å; L88-E91 CarbonylContact O-C 3.57Å; L88-E91 WeakPolarHBondContact O-CA 3.33Å; L88-E91 PolarHBondContact O-N 3Å; E91-H93 VanDerWaalsContact C-N 3.34Å
92	M	82.1	Confident	88.8	Confident	19 Å²	19	38.1 Å²	38.1	9%	0.094	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.4	173.2	-63	-175.9	83.8	0	0	113.5	Q56 F65 L88 Y89 R90 R94	Q56-M92 HydrophobicContact CG-CG 4.27Å; F65-M92 HydrophobicContact CB-CE 3.57Å; F65-M92 HydrophobicContact CD2-CE 3.34Å; F65-M92 HydrophobicContact CD2-SD 3.9Å; F65-M92 HydrophobicContact CE2-CE 4.37Å; F65-M92 HydrophobicContact CG-CE 3.81Å; L88-M92 HydrophobicContact CD1-CG 4.04Å; L88-M92 HydrophobicContact CD1-SD 3.92Å; L88-M92 HydrophobicContact CG-CG 4.38Å; L88-M92 HydrophobicContact CG-SD 3.89Å; L88-M92 VanDerWaalsContact O-CG 3.22Å; L88-M92 WeakPolarHBondContact O-CG 3.35Å; L88-M92 PolarHBondContact O-N 3.06Å; Y89-M92 HydrophobicContact CD1-SD 4.29Å; Y89-M92 PolarHBondContact O-N 3.37Å; R90-M92 PolarHBondContact O-N 2.9Å; M92-R94 PolarHBondContact O-N 2.79Å
93	H	78.3	Confident	89	Confident	111 Å²	111	40.1 Å²	40.1	51%	0.514	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	37.1	-172.8	-58.4	-89	0	0	0	113.1	Y89 R90 E91 P95	Y89-H93 PolarHBondContact O-N 2.9Å; R90-H93 PolarHBondContact O-N 2.88Å; R90-H93 VanDerWaalsContact O-N 3.1Å; E91-H93 VanDerWaalsContact C-N 3.34Å; H93-P95 VanDerWaalsContact C-CD 3.41Å
94	R	84.9	Confident	89.2	Confident	111 Å²	111	37.7 Å²	37.7	42%	0.419	18%	0.175	S	C	.	.			trans	-125.2	60	177.5	-67.5	-176.3	179	-171	-3	112.2	F65 Y89 M92 E96 L97	F65-R94 VanDerWaalsContact CE1-NH1 3.28Å; Y89-R94 CarbonylContact O-C 3.57Å; Y89-R94 PolarHBondContact O-N 2.94Å; M92-R94 PolarHBondContact O-N 2.79Å; R94-E96 WeakPolarHBondContact CA-OE2 3.48Å; R94-E96 PolarHBondContact O-N 3.15Å; R94-E96 VanDerWaalsContact O-N 3.15Å; R94-L97 HydrophobicContact CB-CD1 3.96Å; R94-L97 HydrophobicContact CB-CG 4.26Å; R94-L97 PolarHBondContact O-N 2.64Å
95	P	85.9	Confident	89.3	Confident	31 Å²	31	37.7 Å²	37.7	20%	0.201	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.1	-176.7	30	-36.7	0	0	0	113.4	H93 L97 V98 R125 V126	H93-P95 VanDerWaalsContact C-CD 3.41Å; P95-L97 PolarHBondContact O-N 3.48Å; P95-V98 VanDerWaalsContact O-CB 3.3Å; P95-V98 WeakPolarHBondContact O-CB 3.39Å; P95-V98 PolarHBondContact O-N 3.21Å; P95-R125 HydrophobicContact CB-CG 4.4Å; P95-V126 HydrophobicContact CB-CG2 3.97Å; P95-V126 HydrophobicContact CG-CG2 4.38Å; P95-V126 WeakPolarHBondContact O-CG2 3.4Å
96	E	89.7	Confident	89.5	Confident	95 Å²	95	38.5 Å²	38.5	44%	0.444	18%	0.18	S	C	.	.	H	α-helix	trans	-63.2	-24.7	176.6	-50.9	71.3	-151.3	0	0	112.1	R94 V98 T99 V126	R94-E96 WeakPolarHBondContact CA-OE2 3.48Å; R94-E96 PolarHBondContact O-N 3.15Å; R94-E96 VanDerWaalsContact O-N 3.15Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-T99 PolarHBondContact O-OG1 3.02Å; E96-V126 HydrophobicContact CG-CG1 4.13Å
97	L	91.9	Very high	89.7	Confident	37 Å²	37	45.9 Å²	45.9	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-77	-23.3	176.9	-60.3	178.7	0	0	0	112.1	F65 Y89 R94 P95 T99 K100 L101	F65-L97 HydrophobicContact CE2-CD1 3.65Å; F65-L97 HydrophobicContact CZ-CD1 4.07Å; Y89-L97 HydrophobicContact CD1-CB 3.97Å; Y89-L97 HydrophobicContact CD1-CD1 3.63Å; Y89-L97 HydrophobicContact CD1-CG 4.44Å; Y89-L97 HydrophobicContact CD2-CB 3.6Å; Y89-L97 HydrophobicContact CE1-CB 4.06Å; Y89-L97 HydrophobicContact CE1-CD1 3.48Å; Y89-L97 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L97 HydrophobicContact CE1-CG 4.42Å; Y89-L97 HydrophobicContact CE2-CB 3.69Å; Y89-L97 HydrophobicContact CG-CB 3.74Å; Y89-L97 HydrophobicContact CG-CD1 4.27Å; R94-L97 HydrophobicContact CB-CD1 3.96Å; R94-L97 HydrophobicContact CB-CG 4.26Å; R94-L97 PolarHBondContact O-N 2.64Å; P95-L97 PolarHBondContact O-N 3.48Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-K100 HydrophobicContact CD2-CD 4.37Å; L97-L101 PolarHBondContact O-N 3.44Å; L97-L101 VanDerWaalsContact O-N 3.15Å
98	V	92.3	Very high	89.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-35.2	176.2	-176.4	0	0	0	0	110.9	T86 Y89 P95 E96 L101 Y102 A122	T86-V98 HydrophobicContact CG2-CG1 3.85Å; T86-V98 HydrophobicContact CG2-CG2 4.32Å; Y89-V98 HydrophobicContact CD2-CG2 4.31Å; P95-V98 VanDerWaalsContact O-CB 3.3Å; P95-V98 WeakPolarHBondContact O-CB 3.39Å; P95-V98 PolarHBondContact O-N 3.21Å; E96-V98 VanDerWaalsContact C-N 3.33Å; V98-L101 WeakPolarHBondContact O-CB 3.47Å; V98-L101 PolarHBondContact O-N 2.79Å; V98-Y102 HydrophobicContact CG1-CD2 3.93Å; V98-Y102 HydrophobicContact CG1-CE2 3.91Å; V98-Y102 WeakPolarHBondContact O-CD2 3.46Å; V98-Y102 PolarHBondContact O-N 2.7Å; V98-A122 HydrophobicContact CG1-CB 3.97Å
99	T	93.4	Very high	90	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-47.9	177.3	60.9	0	0	0	0	110.7	E96 L97 L101 Y102 E103 A122 Y123 V126	E96-T99 PolarHBondContact O-OG1 3.02Å; L97-T99 VanDerWaalsContact C-N 3.34Å; T99-L101 PolarHBondContact O-N 2.77Å; T99-Y102 PolarHBondContact O-N 3.27Å; T99-E103 WeakPolarHBondContact O-CB 3.36Å; T99-E103 VanDerWaalsContact O-CG 3.3Å; T99-E103 WeakPolarHBondContact O-CG 3.49Å; T99-E103 PolarHBondContact O-N 3.48Å; T99-A122 HydrophobicContact CG2-CB 4.03Å; T99-Y123 HydrophobicContact CG2-CD1 3.67Å; T99-Y123 HydrophobicContact CG2-CE1 4.1Å; T99-V126 HydrophobicContact CG2-CB 4.27Å; T99-V126 HydrophobicContact CG2-CG2 3.72Å
100	K	93.3	Very high	90.1	Very high	133 Å²	133	53.4 Å²	53.4	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-57.1	-38.8	176.4	-65	-179.5	-178.8	176.9	0	112.4	L97 E103 A104	L97-K100 HydrophobicContact CD2-CD 4.37Å; K100-E103 PolarHBondContact O-N 2.99Å; K100-A104 PolarHBondContact O-N 3.45Å; K100-A104 VanDerWaalsContact O-N 3.08Å
101	L	93.8	Very high	90.5	Very high	10 Å²	10	57 Å²	57	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-52.2	178.4	-177.2	66.6	0	0	0	111.8	P76 L82 L85 L97 V98 T99 A104 A105	P76-L101 HydrophobicContact CG-CD1 4.14Å; L82-L101 HydrophobicContact CD2-CD1 3.65Å; L82-L101 HydrophobicContact CD2-CD2 3.82Å; L82-L101 HydrophobicContact CD2-CG 3.48Å; L82-L101 VanDerWaalsContact CD2-CG 3.48Å; L85-L101 HydrophobicContact CB-CD2 3.61Å; L85-L101 HydrophobicContact CD1-CD1 3.68Å; L85-L101 HydrophobicContact CD1-CD2 4.09Å; L97-L101 PolarHBondContact O-N 3.44Å; L97-L101 VanDerWaalsContact O-N 3.15Å; V98-L101 WeakPolarHBondContact O-CB 3.47Å; V98-L101 PolarHBondContact O-N 2.79Å; T99-L101 PolarHBondContact O-N 2.77Å; L101-A104 PolarHBondContact O-N 3.35Å; L101-A105 PolarHBondContact O-N 2.94Å; L101-A105 VanDerWaalsContact O-N 3.14Å
102	Y	94.7	Very high	91	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-75.3	-27.1	179.2	-74.7	-73.3	0	0	0	113	L82 T86 V98 T99 A104 A105 V106 H118 A122	L82-Y102 HydrophobicContact CB-CE1 4.28Å; L82-Y102 HydrophobicContact CD1-CE1 4.13Å; T86-Y102 WeakPolarHBondContact OG1-CE2 3.39Å; V98-Y102 HydrophobicContact CG1-CD2 3.93Å; V98-Y102 HydrophobicContact CG1-CE2 3.91Å; V98-Y102 WeakPolarHBondContact O-CD2 3.46Å; V98-Y102 PolarHBondContact O-N 2.7Å; T99-Y102 PolarHBondContact O-N 3.27Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.44Å; Y102-A105 PolarHBondContact O-N 3.38Å; Y102-V106 WeakPolarHBondContact O-CB 3.37Å; Y102-V106 WeakPolarHBondContact O-CG2 3.07Å; Y102-V106 PolarHBondContact O-N 3.09Å; Y102-H118 HydrophobicContact CD1-CB 3.71Å; Y102-H118 HydrophobicContact CD2-CB 4.4Å; Y102-H118 HydrophobicContact CE1-CB 3.45Å; Y102-H118 VanDerWaalsContact CE1-CB 3.45Å; Y102-H118 AromaticContact CE1-CG 3.98Å; Y102-H118 HydrophobicContact CE2-CB 4.19Å; Y102-H118 HydrophobicContact CG-CB 4.18Å; Y102-A122 HydrophobicContact CD2-CB 4.31Å
103	E	94.7	Very high	91.5	Very high	41 Å²	41	58.1 Å²	58.1	19%	0.192	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-43.5	169.2	-77.3	178.6	-178.7	0	0	110.6	T99 K100 K107 L119 Y123 K131	T99-E103 WeakPolarHBondContact O-CB 3.36Å; T99-E103 VanDerWaalsContact O-CG 3.3Å; T99-E103 WeakPolarHBondContact O-CG 3.49Å; T99-E103 PolarHBondContact O-N 3.48Å; K100-E103 PolarHBondContact O-N 2.99Å; E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3.47Å; E103-K107 VanDerWaalsContact O-N 3.1Å; E103-L119 HydrophobicContact CG-CD1 3.85Å; E103-Y123 VanDerWaalsContact CG-OH 3.22Å; E103-Y123 WeakPolarHBondContact CG-OH 3.27Å; E103-Y123 PolarHBondContact OE1-OH 3.34Å; E103-K131 IonicContact OE1-NZ 3.58Å; E103-K131 PolarHBondContact OE1-NZ 3.46Å
104	A	93.6	Very high	92.1	Very high	13 Å²	13	57.7 Å²	57.7	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-43	176.6	0	0	0	0	0	112.4	E75 K100 L101 Y102 V106 K107 K108	E75-A104 HydrophobicContact CB-CB 4.28Å; E75-A104 HydrophobicContact CG-CB 3.94Å; K100-A104 PolarHBondContact O-N 3.45Å; K100-A104 VanDerWaalsContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.35Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.44Å; A104-V106 PolarHBondContact O-N 2.92Å; A104-K107 PolarHBondContact O-N 3.41Å; A104-K108 PolarHBondContact O-N 3.02Å
105	A	93.3	Very high	92.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-43.9	177.4	0	0	0	0	0	112.3	L82 L101 Y102 K107 K108 V109 Y115	L82-A105 HydrophobicContact CD1-CB 4.2Å; L82-A105 HydrophobicContact CD2-CB 4.45Å; L101-A105 PolarHBondContact O-N 2.94Å; L101-A105 VanDerWaalsContact O-N 3.14Å; Y102-A105 PolarHBondContact O-N 3.38Å; A105-K107 PolarHBondContact O-N 3.37Å; A105-K108 PolarHBondContact O-N 3.19Å; A105-V109 PolarHBondContact O-N 2.78Å; A105-Y115 HydrophobicContact CB-CD2 4.34Å
106	V	94.9	Very high	92.9	Very high	18 Å²	18	53 Å²	53	11%	0.109	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-37.3	176.3	167.9	0	0	0	0	111.7	Y102 A104 K108 V109 P110 H116 L119	Y102-V106 WeakPolarHBondContact O-CB 3.37Å; Y102-V106 WeakPolarHBondContact O-CG2 3.07Å; Y102-V106 PolarHBondContact O-N 3.09Å; A104-V106 PolarHBondContact O-N 2.92Å; V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.23Å; V106-V109 CarbonylContact O-C 3.07Å; V106-V109 VanDerWaalsContact O-C 3.26Å; V106-V109 PolarHBondContact O-N 2.93Å; V106-P110 WeakPolarHBondContact O-CA 3.3Å; V106-P110 VanDerWaalsContact O-N 3.16Å; V106-H116 WeakPolarHBondContact CG1-CE1 3.32Å; V106-L119 HydrophobicContact CB-CD2 4.2Å; V106-L119 HydrophobicContact CG1-CD2 4.43Å; V106-L119 HydrophobicContact CG2-CB 4.24Å; V106-L119 HydrophobicContact CG2-CD2 3.84Å
107	K	94.1	Very high	93.1	Very high	159 Å²	159	49.6 Å²	49.6	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-61.3	-37.8	174.7	-76.5	170.7	-174.4	174	0	112.3	E103 A104 A105	E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3.47Å; E103-K107 VanDerWaalsContact O-N 3.1Å; A104-K107 PolarHBondContact O-N 3.41Å; A105-K107 PolarHBondContact O-N 3.37Å
108	K	93.4	Very high	93.1	Very high	101 Å²	101	50 Å²	50	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-76.9	-36.5	177.6	-71.6	-174.2	178.1	-179.6	0	113	L74 E75 T77 A104 A105 V106	L74-K108 PolarHBondContact O-NZ 3.19Å; E75-K108 PolarHBondContact O-NZ 2.96Å; E75-K108 WeakPolarHBondContact OE2-CE 3.49Å; E75-K108 IonicContact OE2-NZ 3.67Å; E75-K108 PolarHBondContact OE2-NZ 3.02Å; T77-K108 HydrophobicContact CG2-CB 3.92Å; T77-K108 HydrophobicContact CG2-CD 3.66Å; T77-K108 HydrophobicContact CG2-CG 4.41Å; A104-K108 PolarHBondContact O-N 3.02Å; A105-K108 PolarHBondContact O-N 3.19Å; V106-K108 VanDerWaalsContact C-N 3.29Å; V106-K108 PolarHBondContact O-N 3.23Å
109	V	92.3	Very high	93.2	Very high	60 Å²	60	50.5 Å²	50.5	36%	0.364	25%	0.253	S	S	.	.	S	Bend	trans	-129	76.5	-177.3	-168.2	0	0	0	0	110.2	T77 A105 V106 N111 S112 Y115	T77-V109 HydrophobicContact CG2-CG2 4.45Å; A105-V109 PolarHBondContact O-N 2.78Å; V106-V109 CarbonylContact O-C 3.07Å; V106-V109 VanDerWaalsContact O-C 3.26Å; V106-V109 PolarHBondContact O-N 2.93Å; V109-N111 VanDerWaalsContact C-N 3.31Å; V109-N111 PolarHBondContact O-N 2.65Å; V109-S112 PolarHBondContact O-N 3.45Å; V109-Y115 HydrophobicContact CB-CD2 4.08Å; V109-Y115 HydrophobicContact CB-CE2 4.1Å; V109-Y115 HydrophobicContact CG1-CE2 4.5Å; V109-Y115 HydrophobicContact CG2-CE2 4.26Å
110	P	90.4	Very high	93.3	Very high	70 Å²	70	50 Å²	50	46%	0.455	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.4	-167.2	26.5	-35.7	0	0	0	115.4	V106 H116 I142	V106-P110 WeakPolarHBondContact O-CA 3.3Å; V106-P110 VanDerWaalsContact O-N 3.16Å; P110-H116 PolarHBondContact O-CD2 3.24Å; P110-H116 PolarHBondContact O-NE2 3.12Å; P110-I142 WeakPolarHBondContact O-CD1 3.43Å
111	N	91.1	Very high	93.2	Very high	134 Å²	134	44 Å²	44	72%	0.717	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	5.8	-177.2	-64.6	-25.2	0	0	0	113.6	V109 E113	V109-N111 VanDerWaalsContact C-N 3.31Å; V109-N111 PolarHBondContact O-N 2.65Å; N111-E113 PolarHBondContact O-N 2.99Å
112	S	92.6	Very high	93.1	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	22%	0.222	C	C	.	.			trans	-79	113.2	-179.2	176.8	0	0	0	0	111.6	V109 E114 Y115 H116	V109-S112 PolarHBondContact O-N 3.45Å; S112-E114 PolarHBondContact O-N 2.92Å; S112-Y115 PolarHBondContact O-N 3.42Å; S112-Y115 PolarHBondContact OG-N 3.33Å; S112-H116 PolarHBondContact O-CD2 3.01Å; S112-H116 VanDerWaalsContact O-CD2 3.27Å; S112-H116 PolarHBondContact O-N 3.15Å
113	E	93.4	Very high	93.1	Very high	59 Å²	59	44.3 Å²	44.3	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-56.5	-41.5	174.1	-171.5	-176.1	170.9	0	0	111.4	N111 S117 L139 V143 K145 Y148	N111-E113 PolarHBondContact O-N 2.99Å; E113-S117 WeakPolarHBondContact O-CB 3.25Å; E113-S117 PolarHBondContact O-N 3Å; E113-L139 HydrophobicContact CB-CD1 4.48Å; E113-L139 HydrophobicContact CG-CD1 3.78Å; E113-V143 HydrophobicContact CB-CG2 4.11Å; E113-V143 HydrophobicContact CG-CG2 3.93Å; E113-K145 IonicContact OE1-NZ 3.96Å; E113-K145 PolarHBondContact OE1-NZ 2.94Å; E113-K145 IonicContact OE2-NZ 2.68Å; E113-K145 PolarHBondContact OE2-NZ 3.35Å; E113-Y148 HydrophobicContact CG-CE2 4.26Å; E113-Y148 VanDerWaalsContact OE1-CE2 3.27Å; E113-Y148 WeakPolarHBondContact OE1-CE2 3.23Å; E113-Y148 VanDerWaalsContact OE1-CZ 3.3Å; E113-Y148 PolarHBondContact OE1-OH 3.42Å
114	E	91.2	Very high	92.8	Very high	101 Å²	101	42.4 Å²	42.4	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-65	-46	-177.3	-178.1	167.6	-153.7	0	0	112.2	S112 S117 H118	S112-E114 PolarHBondContact O-N 2.92Å; E114-S117 PolarHBondContact O-N 3.43Å; E114-H118 PolarHBondContact O-CD2 3.27Å; E114-H118 PolarHBondContact O-N 3.28Å; E114-H118 IonicContact OE1-NE2 3.31Å
115	Y	93.3	Very high	92.4	Very high	28 Å²	28	43.5 Å²	43.5	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-36.8	179.6	-63.5	-20.3	0	0	0	112.8	T77 L82 A105 V109 S112 H118 L119	T77-Y115 PolarHBondContact O-OH 3.47Å; L82-Y115 HydrophobicContact CD1-CE1 4.03Å; A105-Y115 HydrophobicContact CB-CD2 4.34Å; V109-Y115 HydrophobicContact CB-CD2 4.08Å; V109-Y115 HydrophobicContact CB-CE2 4.1Å; V109-Y115 HydrophobicContact CG1-CE2 4.5Å; V109-Y115 HydrophobicContact CG2-CE2 4.26Å; S112-Y115 PolarHBondContact O-N 3.42Å; S112-Y115 PolarHBondContact OG-N 3.33Å; Y115-H118 PolarHBondContact O-N 3.29Å; Y115-L119 WeakPolarHBondContact O-CB 3.42Å; Y115-L119 PolarHBondContact O-N 3.27Å
116	H	94	Very high	92.1	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-39.4	172.9	-83.7	-79.2	0	0	0	112.1	V106 P110 S112 L119 F120 L139 I142	V106-H116 WeakPolarHBondContact CG1-CE1 3.32Å; P110-H116 PolarHBondContact O-CD2 3.24Å; P110-H116 PolarHBondContact O-NE2 3.12Å; S112-H116 PolarHBondContact O-CD2 3.01Å; S112-H116 VanDerWaalsContact O-CD2 3.27Å; S112-H116 PolarHBondContact O-N 3.15Å; H116-L119 PolarHBondContact O-N 2.97Å; H116-F120 WeakPolarHBondContact O-CB 3.5Å; H116-F120 PolarHBondContact O-N 3.02Å; H116-L139 HydrophobicContact CB-CB 4.19Å; H116-L139 HydrophobicContact CB-CD1 3.79Å; H116-L139 HydrophobicContact CB-CG 4.45Å; H116-I142 WeakPolarHBondContact CD2-CD1 3.04Å; H116-I142 VanDerWaalsContact NE2-CD1 3.28Å; H116-I142 WeakPolarHBondContact NE2-CD1 3.41Å
117	S	93	Very high	91.7	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-47.6	173.8	-174.8	0	0	0	0	111.5	E113 E114 L119 F120 M121	E113-S117 WeakPolarHBondContact O-CB 3.25Å; E113-S117 PolarHBondContact O-N 3Å; E114-S117 PolarHBondContact O-N 3.43Å; S117-L119 VanDerWaalsContact C-N 3.35Å; S117-L119 PolarHBondContact O-N 3.41Å; S117-F120 WeakPolarHBondContact O-CB 3.17Å; S117-F120 PolarHBondContact O-N 2.91Å; S117-M121 VanDerWaalsContact O-CG 3.31Å; S117-M121 WeakPolarHBondContact O-CG 3.24Å; S117-M121 PolarHBondContact O-N 3.11Å
118	H	92.5	Very high	91.6	Very high	46 Å²	46	41.8 Å²	41.8	21%	0.213	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-38	175.6	-75.4	-57.9	0	0	0	113.1	Y102 E114 Y115 M121 A122	Y102-H118 HydrophobicContact CD1-CB 3.71Å; Y102-H118 HydrophobicContact CD2-CB 4.4Å; Y102-H118 HydrophobicContact CE1-CB 3.45Å; Y102-H118 VanDerWaalsContact CE1-CB 3.45Å; Y102-H118 AromaticContact CE1-CG 3.98Å; Y102-H118 HydrophobicContact CE2-CB 4.19Å; Y102-H118 HydrophobicContact CG-CB 4.18Å; E114-H118 PolarHBondContact O-CD2 3.27Å; E114-H118 PolarHBondContact O-N 3.28Å; E114-H118 IonicContact OE1-NE2 3.31Å; Y115-H118 PolarHBondContact O-N 3.29Å; H118-M121 PolarHBondContact O-N 2.8Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 3.2Å
119	L	94.9	Very high	91.6	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-45.3	174.5	179.9	56.5	0	0	0	111.5	E103 V106 Y115 H116 S117 M121 A122 Y123	E103-L119 HydrophobicContact CG-CD1 3.85Å; V106-L119 HydrophobicContact CB-CD2 4.2Å; V106-L119 HydrophobicContact CG1-CD2 4.43Å; V106-L119 HydrophobicContact CG2-CB 4.24Å; V106-L119 HydrophobicContact CG2-CD2 3.84Å; Y115-L119 WeakPolarHBondContact O-CB 3.42Å; Y115-L119 PolarHBondContact O-N 3.27Å; H116-L119 PolarHBondContact O-N 2.97Å; S117-L119 VanDerWaalsContact C-N 3.35Å; S117-L119 PolarHBondContact O-N 3.41Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 2.6Å; L119-A122 WeakPolarHBondContact O-CB 3.45Å; L119-A122 PolarHBondContact O-N 2.99Å; L119-Y123 HydrophobicContact CD1-CD2 4.14Å; L119-Y123 HydrophobicContact CD1-CE1 4.18Å; L119-Y123 HydrophobicContact CD1-CE2 3.55Å; L119-Y123 HydrophobicContact CD2-CE2 4.05Å; L119-Y123 HydrophobicContact CG-CD2 4.07Å; L119-Y123 HydrophobicContact CG-CE2 3.51Å; L119-Y123 VanDerWaalsContact O-CD2 3.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.25Å; L119-Y123 PolarHBondContact O-N 2.92Å
120	F	94.9	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-47	173.7	179.7	-87.5	0	0	0	111.3	H116 S117 A122 Y123 A124 M132 A135 W151 S155 Y585	H116-F120 WeakPolarHBondContact O-CB 3.5Å; H116-F120 PolarHBondContact O-N 3.02Å; S117-F120 WeakPolarHBondContact O-CB 3.17Å; S117-F120 PolarHBondContact O-N 2.91Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.28Å; F120-Y123 PolarHBondContact O-N 3.49Å; F120-A124 PolarHBondContact O-N 3.45Å; F120-M132 HydrophobicContact CD2-CB 4.16Å; F120-M132 VanDerWaalsContact CD2-O 3.3Å; F120-M132 WeakPolarHBondContact CD2-O 3.33Å; F120-M132 HydrophobicContact CE1-CE 3.93Å; F120-M132 HydrophobicContact CE2-CB 3.79Å; F120-M132 HydrophobicContact CE2-CE 4.09Å; F120-M132 WeakPolarHBondContact CE2-O 3.43Å; F120-M132 HydrophobicContact CZ-CB 4.39Å; F120-M132 HydrophobicContact CZ-CE 3.55Å; F120-A135 HydrophobicContact CB-CB 4.41Å; F120-A135 HydrophobicContact CD2-CB 4.42Å; F120-W151 AromaticContact CD1-CE3 3.74Å; F120-W151 HydrophobicContact CD1-CE3 3.74Å; F120-W151 HydrophobicContact CD1-CZ3 4.13Å; F120-W151 HydrophobicContact CE1-CB 4.27Å; F120-W151 HydrophobicContact CE1-CD2 4.14Å; F120-W151 AromaticContact CE1-CE3 3.81Å; F120-W151 HydrophobicContact CE1-CE3 3.81Å; F120-W151 HydrophobicContact CE1-CG 4.35Å; F120-W151 HydrophobicContact CE2-CB 4.07Å; F120-W151 HydrophobicContact CG-CE3 4.18Å; F120-W151 HydrophobicContact CZ-CB 3.72Å; F120-W151 HydrophobicContact CZ-CD2 4.47Å; F120-W151 HydrophobicContact CZ-CE3 4.3Å; F120-W151 HydrophobicContact CZ-CG 4.27Å; F120-S155 WeakPolarHBondContact CE2-OG 3.41Å; F120-S155 WeakPolarHBondContact CZ-OG 3.14Å; F120-Y585 HydrophobicContact CE1-CD1 4.04Å; F120-Y585 HydrophobicContact CE1-CD2 4.44Å; F120-Y585 HydrophobicContact CE1-CE1 4.25Å; F120-Y585 HydrophobicContact CE1-CG 4.15Å; F120-Y585 HydrophobicContact CZ-CD1 4.12Å; F120-Y585 AromaticContact CZ-CE1 3.98Å; F120-Y585 HydrophobicContact CZ-CE1 3.98Å
121	M	91.6	Very high	91.9	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-32.5	178.9	-63	-53.7	172.9	0	0	113	S117 H118 L119 A124 R125 W151 I582 K586	S117-M121 VanDerWaalsContact O-CG 3.31Å; S117-M121 WeakPolarHBondContact O-CG 3.24Å; S117-M121 PolarHBondContact O-N 3.11Å; H118-M121 PolarHBondContact O-N 2.8Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 2.6Å; M121-A124 PolarHBondContact O-N 3.33Å; M121-R125 WeakPolarHBondContact O-CB 3.42Å; M121-R125 PolarHBondContact O-N 3.28Å; M121-W151 HydrophobicContact CE-CE3 4.28Å; M121-W151 HydrophobicContact CE-CH2 3.38Å; M121-W151 HydrophobicContact CE-CZ2 3.89Å; M121-W151 HydrophobicContact CE-CZ3 3.6Å; M121-I582 HydrophobicContact CB-CD1 4.12Å; M121-I582 HydrophobicContact CB-CG1 4.17Å; M121-I582 HydrophobicContact CB-CG2 4.37Å; M121-I582 HydrophobicContact CE-CG2 4.43Å; M121-I582 HydrophobicContact CG-CG2 4Å; M121-I582 HydrophobicContact SD-CB 4.06Å; M121-I582 HydrophobicContact SD-CG1 3.94Å; M121-I582 HydrophobicContact SD-CG2 3.57Å; M121-I582 VanDerWaalsContact SD-CG2 3.57Å; M121-K586 HydrophobicContact CE-CG 3.95Å
122	A	91.5	Very high	92	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-44.3	172.4	0	0	0	0	0	110.9	V98 T99 Y102 H118 L119 F120 R125 V126	V98-A122 HydrophobicContact CG1-CB 3.97Å; T99-A122 HydrophobicContact CG2-CB 4.03Å; Y102-A122 HydrophobicContact CD2-CB 4.31Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 3.2Å; L119-A122 WeakPolarHBondContact O-CB 3.45Å; L119-A122 PolarHBondContact O-N 2.99Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.28Å; A122-R125 WeakPolarHBondContact O-CB 3.3Å; A122-R125 PolarHBondContact O-N 2.75Å; A122-V126 PolarHBondContact O-N 3.41Å
123	Y	93.6	Very high	92.2	Very high	18 Å²	18	36.2 Å²	36.2	7%	0.071	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-39.8	174.2	-66.8	-46.7	0	0	0	112.7	T99 E103 L119 F120 R125 V126 G127 E128 K131 M132 A135	T99-Y123 HydrophobicContact CG2-CD1 3.67Å; T99-Y123 HydrophobicContact CG2-CE1 4.1Å; E103-Y123 VanDerWaalsContact CG-OH 3.22Å; E103-Y123 WeakPolarHBondContact CG-OH 3.27Å; E103-Y123 PolarHBondContact OE1-OH 3.34Å; L119-Y123 HydrophobicContact CD1-CD2 4.14Å; L119-Y123 HydrophobicContact CD1-CE1 4.18Å; L119-Y123 HydrophobicContact CD1-CE2 3.55Å; L119-Y123 HydrophobicContact CD2-CE2 4.05Å; L119-Y123 HydrophobicContact CG-CD2 4.07Å; L119-Y123 HydrophobicContact CG-CE2 3.51Å; L119-Y123 VanDerWaalsContact O-CD2 3.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.25Å; L119-Y123 PolarHBondContact O-N 2.92Å; F120-Y123 PolarHBondContact O-N 3.49Å; Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 2.68Å; Y123-V126 PolarHBondContact O-N 2.91Å; Y123-G127 PolarHBondContact O-N 3.35Å; Y123-E128 HydrophobicContact CD1-CB 3.8Å; Y123-E128 HydrophobicContact CD1-CG 4.34Å; Y123-E128 HydrophobicContact CG-CB 4.28Å; Y123-E128 PolarHBondContact O-N 2.83Å; Y123-K131 HydrophobicContact CD1-CB 3.84Å; Y123-K131 HydrophobicContact CD1-CD 3.95Å; Y123-K131 HydrophobicContact CD2-CB 3.83Å; Y123-K131 HydrophobicContact CE1-CB 3.73Å; Y123-K131 HydrophobicContact CE1-CD 3.29Å; Y123-K131 HydrophobicContact CE1-CG 4.19Å; Y123-K131 HydrophobicContact CE2-CB 3.69Å; Y123-K131 HydrophobicContact CE2-CD 4.49Å; Y123-K131 HydrophobicContact CG-CB 3.9Å; Y123-M132 HydrophobicContact CG-CG 4.47Å; Y123-A135 HydrophobicContact CD2-CB 4.12Å; Y123-A135 HydrophobicContact CE2-CB 4.08Å
124	A	89.4	Confident	92.3	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-39.7	175	0	0	0	0	0	112.6	F120 M121 G127 M132 I582 Y585	F120-A124 PolarHBondContact O-N 3.45Å; M121-A124 PolarHBondContact O-N 3.33Å; A124-G127 PolarHBondContact O-N 3.3Å; A124-M132 WeakPolarHBondContact CA-SD 3.43Å; A124-M132 HydrophobicContact CB-CE 3.51Å; A124-M132 HydrophobicContact CB-SD 3.92Å; A124-I582 HydrophobicContact CB-CG1 4.48Å; A124-Y585 HydrophobicContact CB-CE2 4.45Å
125	R	85.1	Confident	92.5	Very high	35 Å²	35	34.6 Å²	34.6	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-44	177.7	-172.3	174.5	-63.8	112.4	-4	112.4	P95 M121 A122 Y123 E579 I582	P95-R125 HydrophobicContact CB-CG 4.4Å; M121-R125 WeakPolarHBondContact O-CB 3.42Å; M121-R125 PolarHBondContact O-N 3.28Å; A122-R125 WeakPolarHBondContact O-CB 3.3Å; A122-R125 PolarHBondContact O-N 2.75Å; Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 2.68Å; R125-E579 IonicContact NH2-OE2 3.67Å; R125-E579 PolarHBondContact NH2-OE2 3.41Å; R125-I582 HydrophobicContact CB-CD1 4.45Å
126	V	86.7	Confident	92.6	Very high	38 Å²	38	33.2 Å²	33.2	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-80.7	-20	-178.2	-178	0	0	0	0	112.2	P95 E96 T99 A122 Y123 E128	P95-V126 HydrophobicContact CB-CG2 3.97Å; P95-V126 HydrophobicContact CG-CG2 4.38Å; P95-V126 WeakPolarHBondContact O-CG2 3.4Å; E96-V126 HydrophobicContact CG-CG1 4.13Å; T99-V126 HydrophobicContact CG2-CB 4.27Å; T99-V126 HydrophobicContact CG2-CG2 3.72Å; A122-V126 PolarHBondContact O-N 3.41Å; Y123-V126 PolarHBondContact O-N 2.91Å; V126-E128 HydrophobicContact CB-CG 4.31Å; V126-E128 HydrophobicContact CG1-CG 3.97Å
127	G	87.4	Confident	92.7	Very high	21 Å²	21	34.7 Å²	34.7	22%	0.216	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	22.1	-177.1	0	0	0	0	0	113.8	Y123 A124 Y129	Y123-G127 PolarHBondContact O-N 3.35Å; A124-G127 PolarHBondContact O-N 3.3Å; G127-Y129 WeakPolarHBondContact O-CD2 3.48Å; G127-Y129 PolarHBondContact O-N 3.31Å
128	E	91.8	Very high	92.8	Very high	83 Å²	83	35.3 Å²	35.3	39%	0.388	18%	0.176	S	C	.	.			trans	-80.5	62	179	-72.3	-69.8	166.7	0	0	111.4	Y123 V126 K130 K131 M132	Y123-E128 HydrophobicContact CD1-CB 3.8Å; Y123-E128 HydrophobicContact CD1-CG 4.34Å; Y123-E128 HydrophobicContact CG-CB 4.28Å; Y123-E128 PolarHBondContact O-N 2.83Å; V126-E128 HydrophobicContact CB-CG 4.31Å; V126-E128 HydrophobicContact CG1-CG 3.97Å; E128-K130 VanDerWaalsContact C-N 3.26Å; E128-K130 PolarHBondContact O-N 3.11Å; E128-K130 VanDerWaalsContact O-N 3.12Å; E128-K131 HydrophobicContact CB-CB 4.27Å; E128-K131 HydrophobicContact CB-CD 4.45Å; E128-K131 PolarHBondContact O-N 2.87Å; E128-M132 WeakPolarHBondContact O-CG 3.43Å; E128-M132 PolarHBondContact O-N 2.59Å
129	Y	92.6	Very high	92.9	Very high	30 Å²	30	33.1 Å²	33.1	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-30.7	-166.4	-52.7	-57.3	0	0	0	114.3	G127 M132 Q133 M158 Q159 S162	G127-Y129 WeakPolarHBondContact O-CD2 3.48Å; G127-Y129 PolarHBondContact O-N 3.31Å; Y129-M132 HydrophobicContact CD1-SD 3.58Å; Y129-M132 VanDerWaalsContact CD1-SD 3.58Å; Y129-M132 HydrophobicContact CE1-SD 4.31Å; Y129-M132 HydrophobicContact CG-SD 4.49Å; Y129-M132 WeakPolarHBondContact O-CB 3.43Å; Y129-M132 PolarHBondContact O-N 2.91Å; Y129-Q133 PolarHBondContact O-N 3.01Å; Y129-Q133 VanDerWaalsContact O-N 3.15Å; Y129-M158 HydrophobicContact CD1-CB 3.44Å; Y129-M158 VanDerWaalsContact CD1-CB 3.44Å; Y129-M158 HydrophobicContact CD1-CG 4.19Å; Y129-M158 HydrophobicContact CD2-CB 4.22Å; Y129-M158 HydrophobicContact CE1-CB 3.82Å; Y129-M158 HydrophobicContact CE1-CE 3.98Å; Y129-M158 HydrophobicContact CE1-CG 4.25Å; Y129-M158 HydrophobicContact CG-CB 3.68Å; Y129-Q159 VanDerWaalsContact CB-CG 3.45Å; Y129-Q159 PolarHBondContact O-NE2 3.5Å; Y129-S162 VanDerWaalsContact CD2-OG 3.32Å; Y129-S162 WeakPolarHBondContact CD2-OG 3.41Å
130	K	93.1	Very high	93	Very high	132 Å²	132	34.8 Å²	34.8	57%	0.574	17%	0.171	S	C	*	.	H	α-helix	trans	-66.5	-44.8	174.3	-175.3	176.8	-179.8	178.6	0	112.3	E128 M132 Q133 Q134 Q159	E128-K130 VanDerWaalsContact C-N 3.26Å; E128-K130 PolarHBondContact O-N 3.11Å; E128-K130 VanDerWaalsContact O-N 3.12Å; K130-M132 VanDerWaalsContact C-N 3.31Å; K130-Q133 PolarHBondContact O-N 3.19Å; K130-Q134 PolarHBondContact O-N 2.95Å; K130-Q159 HydrophobicContact CB-CG 4.49Å
131	K	95.6	Very high	93	Very high	70 Å²	70	42.6 Å²	42.6	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-69.7	-32.5	177	-64.4	-171.5	174.2	-172.8	0	111.2	E103 Y123 E128 Q134 A135	E103-K131 IonicContact OE1-NZ 3.58Å; E103-K131 PolarHBondContact OE1-NZ 3.46Å; Y123-K131 HydrophobicContact CD1-CB 3.84Å; Y123-K131 HydrophobicContact CD1-CD 3.95Å; Y123-K131 HydrophobicContact CD2-CB 3.83Å; Y123-K131 HydrophobicContact CE1-CB 3.73Å; Y123-K131 HydrophobicContact CE1-CD 3.29Å; Y123-K131 HydrophobicContact CE1-CG 4.19Å; Y123-K131 HydrophobicContact CE2-CB 3.69Å; Y123-K131 HydrophobicContact CE2-CD 4.49Å; Y123-K131 HydrophobicContact CG-CB 3.9Å; E128-K131 HydrophobicContact CB-CB 4.27Å; E128-K131 HydrophobicContact CB-CD 4.45Å; E128-K131 PolarHBondContact O-N 2.87Å; K131-Q134 PolarHBondContact O-N 3.15Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 3.36Å
132	M	94.7	Very high	93.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-48.6	171.7	-66.3	173.7	62.9	0	0	112	F120 Y123 A124 E128 Y129 K130 Q134 A135 G136 S155 Y585	F120-M132 HydrophobicContact CD2-CB 4.16Å; F120-M132 VanDerWaalsContact CD2-O 3.3Å; F120-M132 WeakPolarHBondContact CD2-O 3.33Å; F120-M132 HydrophobicContact CE1-CE 3.93Å; F120-M132 HydrophobicContact CE2-CB 3.79Å; F120-M132 HydrophobicContact CE2-CE 4.09Å; F120-M132 WeakPolarHBondContact CE2-O 3.43Å; F120-M132 HydrophobicContact CZ-CB 4.39Å; F120-M132 HydrophobicContact CZ-CE 3.55Å; Y123-M132 HydrophobicContact CG-CG 4.47Å; A124-M132 WeakPolarHBondContact CA-SD 3.43Å; A124-M132 HydrophobicContact CB-CE 3.51Å; A124-M132 HydrophobicContact CB-SD 3.92Å; E128-M132 WeakPolarHBondContact O-CG 3.43Å; E128-M132 PolarHBondContact O-N 2.59Å; Y129-M132 HydrophobicContact CD1-SD 3.58Å; Y129-M132 VanDerWaalsContact CD1-SD 3.58Å; Y129-M132 HydrophobicContact CE1-SD 4.31Å; Y129-M132 HydrophobicContact CG-SD 4.49Å; Y129-M132 WeakPolarHBondContact O-CB 3.43Å; Y129-M132 PolarHBondContact O-N 2.91Å; K130-M132 VanDerWaalsContact C-N 3.31Å; M132-Q134 VanDerWaalsContact C-N 3.29Å; M132-Q134 PolarHBondContact O-N 2.85Å; M132-A135 PolarHBondContact O-N 3.38Å; M132-G136 PolarHBondContact O-N 3.01Å; M132-S155 WeakPolarHBondContact CB-OG 3.49Å; M132-Y585 HydrophobicContact CE-CE1 4.39Å; M132-Y585 HydrophobicContact CE-CE2 3.99Å; M132-Y585 WeakPolarHBondContact CE-OH 3.45Å
133	Q	95.6	Very high	93.2	Very high	40 Å²	40	46.5 Å²	46.5	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-43.9	178.2	-176.6	-161.7	2.4	0	0	111.6	Y129 K130 M137	Y129-Q133 PolarHBondContact O-N 3.01Å; Y129-Q133 VanDerWaalsContact O-N 3.15Å; K130-Q133 PolarHBondContact O-N 3.19Å; Q133-M137 WeakPolarHBondContact O-CB 3.46Å; Q133-M137 PolarHBondContact O-N 3.45Å
134	Q	95.3	Very high	93.2	Very high	116 Å²	116	50.5 Å²	50.5	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-45.3	179.2	-66.2	174.8	-1.3	0	0	111.8	K130 K131 M132 M137 A138	K130-Q134 PolarHBondContact O-N 2.95Å; K131-Q134 PolarHBondContact O-N 3.15Å; M132-Q134 VanDerWaalsContact C-N 3.29Å; M132-Q134 PolarHBondContact O-N 2.85Å; Q134-M137 PolarHBondContact O-N 2.92Å; Q134-A138 WeakPolarHBondContact O-CB 3.36Å; Q134-A138 PolarHBondContact O-N 2.94Å
135	A	95.4	Very high	93.3	Very high	9 Å²	9	54.9 Å²	54.9	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-43.3	177.7	0	0	0	0	0	111.9	F120 Y123 K131 M132 M137 A138 L139	F120-A135 HydrophobicContact CB-CB 4.41Å; F120-A135 HydrophobicContact CD2-CB 4.42Å; Y123-A135 HydrophobicContact CD2-CB 4.12Å; Y123-A135 HydrophobicContact CE2-CB 4.08Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 3.36Å; M132-A135 PolarHBondContact O-N 3.38Å; A135-M137 VanDerWaalsContact C-N 3.34Å; A135-M137 PolarHBondContact O-N 3.5Å; A135-A138 PolarHBondContact O-N 3.11Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 PolarHBondContact O-N 3.16Å
136	G	95.7	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-41.5	176.7	0	0	0	0	0	112.3	M132 L139 Y140 S152	M132-G136 PolarHBondContact O-N 3.01Å; G136-L139 PolarHBondContact O-N 3.05Å; G136-Y140 PolarHBondContact O-N 3.06Å; G136-S152 WeakPolarHBondContact CA-OG 3.33Å
137	M	95.8	Very high	93.8	Very high	47 Å²	47	55.4 Å²	55.4	23%	0.232	28%	0.281	C	S	.	.	H	α-helix	trans	-71.9	-34.9	178.4	-169.7	55.6	54.6	0	0	112.2	Q133 Q134 A135 Y140 K141 Y149 S152 M180	Q133-M137 WeakPolarHBondContact O-CB 3.46Å; Q133-M137 PolarHBondContact O-N 3.45Å; Q134-M137 PolarHBondContact O-N 2.92Å; A135-M137 VanDerWaalsContact C-N 3.34Å; A135-M137 PolarHBondContact O-N 3.5Å; M137-Y140 HydrophobicContact SD-CD1 4.25Å; M137-K141 WeakPolarHBondContact O-CG 3.27Å; M137-K141 PolarHBondContact O-N 2.98Å; M137-K141 VanDerWaalsContact O-N 3.11Å; M137-Y149 HydrophobicContact CE-CD2 4.08Å; M137-Y149 HydrophobicContact CE-CE2 3.97Å; M137-S152 PolarHBondContact N-OG 3.08Å; M137-M180 HydrophobicContact CE-CE 3.43Å; M137-M180 VanDerWaalsContact CE-CE 3.43Å
138	A	95.4	Very high	94.2	Very high	35 Å²	35	55.7 Å²	55.7	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-46	171.6	0	0	0	0	0	111	Q134 A135 Y140 K141 I142	Q134-A138 WeakPolarHBondContact O-CB 3.36Å; Q134-A138 PolarHBondContact O-N 2.94Å; A135-A138 PolarHBondContact O-N 3.11Å; A138-Y140 PolarHBondContact O-N 3.36Å; A138-K141 WeakPolarHBondContact O-CB 3.4Å; A138-K141 PolarHBondContact O-N 3.43Å; A138-K141 VanDerWaalsContact O-N 3.16Å; A138-I142 WeakPolarHBondContact O-CG1 3.37Å; A138-I142 PolarHBondContact O-N 3.34Å; A138-I142 VanDerWaalsContact O-N 3.1Å
139	L	95.3	Very high	94.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-44.9	176.2	179.8	59.3	0	0	0	111.9	E113 H116 A135 G136 K141 I142 V143 Y148 W151	E113-L139 HydrophobicContact CB-CD1 4.48Å; E113-L139 HydrophobicContact CG-CD1 3.78Å; H116-L139 HydrophobicContact CB-CB 4.19Å; H116-L139 HydrophobicContact CB-CD1 3.79Å; H116-L139 HydrophobicContact CB-CG 4.45Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 PolarHBondContact O-N 3.16Å; G136-L139 PolarHBondContact O-N 3.05Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.23Å; L139-I142 PolarHBondContact O-N 3.38Å; L139-V143 PolarHBondContact O-N 3.04Å; L139-Y148 HydrophobicContact CD1-CD2 4.23Å; L139-Y148 HydrophobicContact CD1-CE2 4.03Å; L139-Y148 HydrophobicContact CD2-CD1 3.62Å; L139-Y148 HydrophobicContact CD2-CD2 3.98Å; L139-Y148 HydrophobicContact CD2-CE1 3.78Å; L139-Y148 HydrophobicContact CD2-CE2 4.09Å; L139-Y148 HydrophobicContact CD2-CG 3.74Å; L139-Y148 HydrophobicContact CG-CD1 4.2Å; L139-Y148 HydrophobicContact CG-CD2 3.62Å; L139-Y148 HydrophobicContact CG-CE1 4.45Å; L139-Y148 HydrophobicContact CG-CE2 3.87Å; L139-Y148 HydrophobicContact CG-CG 3.79Å; L139-W151 HydrophobicContact CD2-CE3 4.37Å; L139-W151 HydrophobicContact CD2-CZ3 4.11Å
140	Y	95.9	Very high	94.5	Very high	45 Å²	45	51 Å²	51	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-36	176	-179.8	-108.8	0	0	0	113.1	G136 M137 A138 I142 V143 P144 K145 Y149	G136-Y140 PolarHBondContact O-N 3.06Å; M137-Y140 HydrophobicContact SD-CD1 4.25Å; A138-Y140 PolarHBondContact O-N 3.36Å; Y140-I142 VanDerWaalsContact C-N 3.34Å; Y140-V143 CarbonylContact O-C 3.54Å; Y140-P144 HydrophobicContact CE2-CB 4.14Å; Y140-P144 VanDerWaalsContact O-CA 3.27Å; Y140-P144 WeakPolarHBondContact O-CA 3.48Å; Y140-K145 WeakPolarHBondContact CD2-O 3.43Å; Y140-Y149 AromaticContact CD1-CD2 3.87Å; Y140-Y149 HydrophobicContact CD1-CD2 3.87Å; Y140-Y149 AromaticContact CE1-CD2 3.77Å; Y140-Y149 HydrophobicContact CE1-CD2 3.77Å; Y140-Y149 HydrophobicContact CE1-CE2 4.47Å; Y140-Y149 HydrophobicContact CE2-CD2 4.49Å; Y140-Y149 HydrophobicContact CG-CD2 4.29Å
141	K	95.4	Very high	94.7	Very high	164 Å²	164	45.2 Å²	45.2	71%	0.713	23%	0.229	S	C	*	.	H	α-helix	trans	-68.6	-32.3	175.6	-74.1	173	-178.1	-180	0	112.8	M137 A138 L139	M137-K141 WeakPolarHBondContact O-CG 3.27Å; M137-K141 PolarHBondContact O-N 2.98Å; M137-K141 VanDerWaalsContact O-N 3.11Å; A138-K141 WeakPolarHBondContact O-CB 3.4Å; A138-K141 PolarHBondContact O-N 3.43Å; A138-K141 VanDerWaalsContact O-N 3.16Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.23Å
142	I	94.5	Very high	94.7	Very high	57 Å²	57	41.9 Å²	41.9	29%	0.292	22%	0.215	S	C	.	.	H	α-helix	trans	-74.5	-49.2	176.7	-62.2	164.3	0	0	0	109.5	P110 H116 A138 L139 Y140	P110-I142 WeakPolarHBondContact O-CD1 3.43Å; H116-I142 WeakPolarHBondContact CD2-CD1 3.04Å; H116-I142 VanDerWaalsContact NE2-CD1 3.28Å; H116-I142 WeakPolarHBondContact NE2-CD1 3.41Å; A138-I142 WeakPolarHBondContact O-CG1 3.37Å; A138-I142 PolarHBondContact O-N 3.34Å; A138-I142 VanDerWaalsContact O-N 3.1Å; L139-I142 PolarHBondContact O-N 3.38Å; Y140-I142 VanDerWaalsContact C-N 3.34Å
143	V	93.9	Very high	94.8	Very high	34 Å²	34	41.9 Å²	41.9	21%	0.206	22%	0.215	C	C	.	.	S	Bend	trans	-131.3	107.4	179.8	-168.2	0	0	0	0	109.1	E113 L139 Y140 K145 Y148	E113-V143 HydrophobicContact CB-CG2 4.11Å; E113-V143 HydrophobicContact CG-CG2 3.93Å; L139-V143 PolarHBondContact O-N 3.04Å; Y140-V143 CarbonylContact O-C 3.54Å; V143-K145 HydrophobicContact CG1-CD 3.93Å; V143-K145 HydrophobicContact CG1-CG 3.95Å; V143-K145 PolarHBondContact O-N 3.43Å; V143-Y148 HydrophobicContact CB-CE2 4.43Å
144	P	91.9	Very high	94.8	Very high	102 Å²	102	40 Å²	40	66%	0.662	21%	0.206	S	C	*	.			trans	-78.5	58.6	-172.3	32.8	-36.9	0	0	0	112.7	Y140	Y140-P144 HydrophobicContact CE2-CB 4.14Å; Y140-P144 VanDerWaalsContact O-CA 3.27Å; Y140-P144 WeakPolarHBondContact O-CA 3.48Å
145	K	92.6	Very high	94.8	Very high	94 Å²	94	34.5 Å²	34.5	41%	0.409	18%	0.18	S	C	.	.			trans	-86.3	134.1	172.4	-73	169.9	-175.1	168.1	0	110	E113 Y140 V143 Y148	E113-K145 IonicContact OE1-NZ 3.96Å; E113-K145 PolarHBondContact OE1-NZ 2.94Å; E113-K145 IonicContact OE2-NZ 2.68Å; E113-K145 PolarHBondContact OE2-NZ 3.35Å; Y140-K145 WeakPolarHBondContact CD2-O 3.43Å; V143-K145 HydrophobicContact CG1-CD 3.93Å; V143-K145 HydrophobicContact CG1-CG 3.95Å; V143-K145 PolarHBondContact O-N 3.43Å; K145-Y148 HydrophobicContact CB-CD2 3.83Å; K145-Y148 HydrophobicContact CB-CE2 4.03Å; K145-Y148 HydrophobicContact CB-CG 4.43Å; K145-Y148 HydrophobicContact CD-CD2 4.37Å; K145-Y148 HydrophobicContact CD-CE2 3.7Å; K145-Y148 HydrophobicContact CG-CE2 4.36Å; K145-Y148 PolarHBondContact O-N 2.88Å; K145-Y148 VanDerWaalsContact O-N 3.17Å
146	N	90.7	Very high	94.8	Very high	18 Å²	18	34.1 Å²	34.1	10%	0.096	18%	0.177	C	C	.	.	H	α-helix	trans	-53.6	-44.6	-176.8	-139.1	16.5	0	0	0	114	Y148 Y149 F150 K189 E195	N146-Y148 VanDerWaalsContact C-N 3.27Å; N146-Y148 PolarHBondContact O-N 3.27Å; N146-Y148 VanDerWaalsContact O-N 3.16Å; N146-Y149 WeakPolarHBondContact O-CB 3.25Å; N146-Y149 PolarHBondContact O-N 3.32Å; N146-F150 WeakPolarHBondContact O-CD2 3.47Å; N146-F150 PolarHBondContact O-N 3.22Å; N146-F150 WeakPolarHBondContact OD1-CE2 3.35Å; N146-K189 PolarHBondContact ND2-O 2.96Å; N146-E195 PolarHBondContact ND2-OE1 3.3Å; N146-E195 VanDerWaalsContact ND2-OE1 3.08Å
147	P	92.4	Very high	94.7	Very high	66 Å²	66	34.1 Å²	34.1	43%	0.429	18%	0.177	S	C	.	.	H	α-helix	trans	-55.9	-36.7	179.4	-29.2	36.9	0	0	0	114.4	Y149 F150 W151	P147-Y149 VanDerWaalsContact C-N 3.3Å; P147-Y149 PolarHBondContact O-N 2.95Å; P147-F150 PolarHBondContact O-N 2.89Å; P147-W151 VanDerWaalsContact O-CG 3.25Å; P147-W151 PolarHBondContact O-N 3.2Å
148	Y	94.6	Very high	94.6	Very high	28 Å²	28	32 Å²	32	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-30.7	-179.9	-58.9	-28.1	0	0	0	112.7	E113 L139 V143 K145 N146 W151 S152	E113-Y148 HydrophobicContact CG-CE2 4.26Å; E113-Y148 VanDerWaalsContact OE1-CE2 3.27Å; E113-Y148 WeakPolarHBondContact OE1-CE2 3.23Å; E113-Y148 VanDerWaalsContact OE1-CZ 3.3Å; E113-Y148 PolarHBondContact OE1-OH 3.42Å; L139-Y148 HydrophobicContact CD1-CD2 4.23Å; L139-Y148 HydrophobicContact CD1-CE2 4.03Å; L139-Y148 HydrophobicContact CD2-CD1 3.62Å; L139-Y148 HydrophobicContact CD2-CD2 3.98Å; L139-Y148 HydrophobicContact CD2-CE1 3.78Å; L139-Y148 HydrophobicContact CD2-CE2 4.09Å; L139-Y148 HydrophobicContact CD2-CG 3.74Å; L139-Y148 HydrophobicContact CG-CD1 4.2Å; L139-Y148 HydrophobicContact CG-CD2 3.62Å; L139-Y148 HydrophobicContact CG-CE1 4.45Å; L139-Y148 HydrophobicContact CG-CE2 3.87Å; L139-Y148 HydrophobicContact CG-CG 3.79Å; V143-Y148 HydrophobicContact CB-CE2 4.43Å; K145-Y148 HydrophobicContact CB-CD2 3.83Å; K145-Y148 HydrophobicContact CB-CE2 4.03Å; K145-Y148 HydrophobicContact CB-CG 4.43Å; K145-Y148 HydrophobicContact CD-CD2 4.37Å; K145-Y148 HydrophobicContact CD-CE2 3.7Å; K145-Y148 HydrophobicContact CG-CE2 4.36Å; K145-Y148 PolarHBondContact O-N 2.88Å; K145-Y148 VanDerWaalsContact O-N 3.17Å; N146-Y148 VanDerWaalsContact C-N 3.27Å; N146-Y148 PolarHBondContact O-N 3.27Å; N146-Y148 VanDerWaalsContact O-N 3.16Å; Y148-W151 HydrophobicContact CD1-CD2 4.07Å; Y148-W151 AromaticContact CD1-CE3 3.77Å; Y148-W151 HydrophobicContact CD1-CE3 3.77Å; Y148-W151 AromaticContact CD1-CH2 3.99Å; Y148-W151 HydrophobicContact CD1-CH2 3.99Å; Y148-W151 HydrophobicContact CD1-CZ2 4.29Å; Y148-W151 AromaticContact CD1-CZ3 3.72Å; Y148-W151 HydrophobicContact CD1-CZ3 3.72Å; Y148-W151 HydrophobicContact CE1-CE3 4.24Å; Y148-W151 AromaticContact CE1-CH2 3.66Å; Y148-W151 HydrophobicContact CE1-CH2 3.66Å; Y148-W151 HydrophobicContact CE1-CZ2 4.17Å; Y148-W151 AromaticContact CE1-CZ3 3.71Å; Y148-W151 HydrophobicContact CE1-CZ3 3.71Å; Y148-S152 PolarHBondContact O-N 2.76Å; Y148-S152 PolarHBondContact O-OG 3.12Å; Y148-S152 VanDerWaalsContact O-OG 3.1Å
149	Y	95.6	Very high	94.4	Very high	13 Å²	13	31 Å²	31	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-49.2	171.4	-170.7	-97.3	0	0	0	110.6	M137 Y140 N146 P147 W151 S152 V153 M180 M184	M137-Y149 HydrophobicContact CE-CD2 4.08Å; M137-Y149 HydrophobicContact CE-CE2 3.97Å; Y140-Y149 AromaticContact CD1-CD2 3.87Å; Y140-Y149 HydrophobicContact CD1-CD2 3.87Å; Y140-Y149 AromaticContact CE1-CD2 3.77Å; Y140-Y149 HydrophobicContact CE1-CD2 3.77Å; Y140-Y149 HydrophobicContact CE1-CE2 4.47Å; Y140-Y149 HydrophobicContact CE2-CD2 4.49Å; Y140-Y149 HydrophobicContact CG-CD2 4.29Å; N146-Y149 WeakPolarHBondContact O-CB 3.25Å; N146-Y149 PolarHBondContact O-N 3.32Å; P147-Y149 VanDerWaalsContact C-N 3.3Å; P147-Y149 PolarHBondContact O-N 2.95Å; Y149-W151 PolarHBondContact O-N 2.95Å; Y149-S152 WeakPolarHBondContact O-CA 3.35Å; Y149-S152 VanDerWaalsContact O-CB 3.22Å; Y149-S152 WeakPolarHBondContact O-CB 3.44Å; Y149-S152 PolarHBondContact O-N 2.63Å; Y149-V153 HydrophobicContact CD1-CG2 4.17Å; Y149-V153 HydrophobicContact CE1-CG2 3.99Å; Y149-V153 PolarHBondContact O-N 3.08Å; Y149-V153 VanDerWaalsContact O-N 3.16Å; Y149-M180 HydrophobicContact CE1-CB 4.12Å; Y149-M180 HydrophobicContact CE1-CE 4.2Å; Y149-M180 WeakPolarHBondContact CE1-O 3.33Å; Y149-M180 HydrophobicContact CE2-CE 3.92Å; Y149-M180 VanDerWaalsContact OH-CA 3.25Å; Y149-M180 WeakPolarHBondContact OH-CA 3.44Å; Y149-M180 WeakPolarHBondContact OH-CB 3.34Å; Y149-M180 PolarHBondContact OH-O 3.25Å; Y149-M184 HydrophobicContact CD1-CE 3.5Å; Y149-M184 HydrophobicContact CD1-CG 3.82Å; Y149-M184 HydrophobicContact CD2-CE 3.45Å; Y149-M184 VanDerWaalsContact CD2-CE 3.45Å; Y149-M184 HydrophobicContact CE1-CE 3.61Å; Y149-M184 HydrophobicContact CE1-CG 3.56Å; Y149-M184 HydrophobicContact CE1-SD 4.45Å; Y149-M184 HydrophobicContact CE2-CE 3.56Å; Y149-M184 HydrophobicContact CG-CE 3.41Å; Y149-M184 VanDerWaalsContact CG-CE 3.41Å
150	F	95.9	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.7	-24.3	-178.9	-70	-75.2	0	0	0	113.9	N146 P147 S152 V153 M154 V181 M184 I190 E195 L198 F590	N146-F150 WeakPolarHBondContact O-CD2 3.47Å; N146-F150 PolarHBondContact O-N 3.22Å; N146-F150 WeakPolarHBondContact OD1-CE2 3.35Å; P147-F150 PolarHBondContact O-N 2.89Å; F150-S152 VanDerWaalsContact C-N 3.25Å; F150-S152 PolarHBondContact O-N 3.01Å; F150-V153 HydrophobicContact CD1-CG2 4.34Å; F150-V153 PolarHBondContact O-N 3.09Å; F150-M154 WeakPolarHBondContact O-CB 3.41Å; F150-M154 PolarHBondContact O-N 3.38Å; F150-V181 HydrophobicContact CE1-CG1 4.33Å; F150-V181 HydrophobicContact CE1-CG2 4.05Å; F150-M184 HydrophobicContact CZ-CB 4.06Å; F150-M184 HydrophobicContact CZ-CG 4.1Å; F150-I190 HydrophobicContact CE1-CD1 4.13Å; F150-I190 HydrophobicContact CE2-CD1 4.46Å; F150-I190 HydrophobicContact CZ-CD1 3.52Å; F150-E195 HydrophobicContact CD1-CG 4.34Å; F150-E195 HydrophobicContact CD2-CG 3.68Å; F150-E195 HydrophobicContact CE1-CB 4.21Å; F150-E195 HydrophobicContact CE1-CG 4.28Å; F150-E195 HydrophobicContact CE2-CB 4.28Å; F150-E195 HydrophobicContact CE2-CG 3.65Å; F150-E195 HydrophobicContact CG-CG 4.05Å; F150-E195 HydrophobicContact CZ-CB 4.09Å; F150-E195 HydrophobicContact CZ-CG 3.98Å; F150-L198 HydrophobicContact CB-CD2 4.02Å; F150-L198 HydrophobicContact CD1-CD2 3.73Å; F150-L198 HydrophobicContact CG-CD2 4.32Å; F150-F590 HydrophobicContact CB-CE2 3.94Å; F150-F590 HydrophobicContact CB-CZ 3.92Å
151	W	96.2	Very high	93.9	Very high	12 Å²	12	32 Å²	32	5%	0.045	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-39	165.8	-71.7	8.2	0	0	0	111.7	F120 M121 L139 P147 Y148 Y149 S155 Y585 K586 F590	F120-W151 AromaticContact CD1-CE3 3.74Å; F120-W151 HydrophobicContact CD1-CE3 3.74Å; F120-W151 HydrophobicContact CD1-CZ3 4.13Å; F120-W151 HydrophobicContact CE1-CB 4.27Å; F120-W151 HydrophobicContact CE1-CD2 4.14Å; F120-W151 AromaticContact CE1-CE3 3.81Å; F120-W151 HydrophobicContact CE1-CE3 3.81Å; F120-W151 HydrophobicContact CE1-CG 4.35Å; F120-W151 HydrophobicContact CE2-CB 4.07Å; F120-W151 HydrophobicContact CG-CE3 4.18Å; F120-W151 HydrophobicContact CZ-CB 3.72Å; F120-W151 HydrophobicContact CZ-CD2 4.47Å; F120-W151 HydrophobicContact CZ-CE3 4.3Å; F120-W151 HydrophobicContact CZ-CG 4.27Å; M121-W151 HydrophobicContact CE-CE3 4.28Å; M121-W151 HydrophobicContact CE-CH2 3.38Å; M121-W151 HydrophobicContact CE-CZ2 3.89Å; M121-W151 HydrophobicContact CE-CZ3 3.6Å; L139-W151 HydrophobicContact CD2-CE3 4.37Å; L139-W151 HydrophobicContact CD2-CZ3 4.11Å; P147-W151 VanDerWaalsContact O-CG 3.25Å; P147-W151 PolarHBondContact O-N 3.2Å; Y148-W151 HydrophobicContact CD1-CD2 4.07Å; Y148-W151 AromaticContact CD1-CE3 3.77Å; Y148-W151 HydrophobicContact CD1-CE3 3.77Å; Y148-W151 AromaticContact CD1-CH2 3.99Å; Y148-W151 HydrophobicContact CD1-CH2 3.99Å; Y148-W151 HydrophobicContact CD1-CZ2 4.29Å; Y148-W151 AromaticContact CD1-CZ3 3.72Å; Y148-W151 HydrophobicContact CD1-CZ3 3.72Å; Y148-W151 HydrophobicContact CE1-CE3 4.24Å; Y148-W151 AromaticContact CE1-CH2 3.66Å; Y148-W151 HydrophobicContact CE1-CH2 3.66Å; Y148-W151 HydrophobicContact CE1-CZ2 4.17Å; Y148-W151 AromaticContact CE1-CZ3 3.71Å; Y148-W151 HydrophobicContact CE1-CZ3 3.71Å; Y149-W151 PolarHBondContact O-N 2.95Å; W151-S155 WeakPolarHBondContact O-CB 3.2Å; W151-S155 PolarHBondContact O-N 3.33Å; W151-S155 PolarHBondContact O-OG 3.47Å; W151-Y585 HydrophobicContact CB-CD1 4.43Å; W151-Y585 AromaticContact CD1-CD1 3.96Å; W151-Y585 HydrophobicContact CG-CD1 4.12Å; W151-Y585 PolarHBondContact NE1-O 2.77Å; W151-K586 HydrophobicContact CZ2-CG 4.4Å; W151-F590 AromaticContact CD1-CE1 3.94Å
152	S	96.1	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-41.7	176.5	-51	0	0	0	0	111.5	G136 M137 Y148 Y149 F150 S155 L156	G136-S152 WeakPolarHBondContact CA-OG 3.33Å; M137-S152 PolarHBondContact N-OG 3.08Å; Y148-S152 PolarHBondContact O-N 2.76Å; Y148-S152 PolarHBondContact O-OG 3.12Å; Y148-S152 VanDerWaalsContact O-OG 3.1Å; Y149-S152 WeakPolarHBondContact O-CA 3.35Å; Y149-S152 VanDerWaalsContact O-CB 3.22Å; Y149-S152 WeakPolarHBondContact O-CB 3.44Å; Y149-S152 PolarHBondContact O-N 2.63Å; F150-S152 VanDerWaalsContact C-N 3.25Å; F150-S152 PolarHBondContact O-N 3.01Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 3.2Å; S152-L156 PolarHBondContact O-N 2.99Å; S152-L156 VanDerWaalsContact O-N 3.1Å
153	V	96.7	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-48.9	174.9	176.9	0	0	0	0	110.6	Y149 F150 S155 L156 I157 A177 M180 V181 L198 I202	Y149-V153 HydrophobicContact CD1-CG2 4.17Å; Y149-V153 HydrophobicContact CE1-CG2 3.99Å; Y149-V153 PolarHBondContact O-N 3.08Å; Y149-V153 VanDerWaalsContact O-N 3.16Å; F150-V153 HydrophobicContact CD1-CG2 4.34Å; F150-V153 PolarHBondContact O-N 3.09Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 3.5Å; V153-L156 WeakPolarHBondContact O-CA 3.41Å; V153-L156 VanDerWaalsContact O-CB 3.28Å; V153-L156 WeakPolarHBondContact O-CB 3.33Å; V153-L156 PolarHBondContact O-N 3.48Å; V153-I157 PolarHBondContact O-N 3.38Å; V153-I157 VanDerWaalsContact O-N 3.09Å; V153-A177 HydrophobicContact CG1-CB 4.2Å; V153-M180 HydrophobicContact CG2-CB 4.03Å; V153-M180 HydrophobicContact CG2-CE 3.85Å; V153-M180 HydrophobicContact CG2-SD 4.48Å; V153-V181 HydrophobicContact CG1-CG2 3.66Å; V153-V181 HydrophobicContact CG2-CG2 4.18Å; V153-L198 HydrophobicContact CB-CD2 4.21Å; V153-L198 HydrophobicContact CG1-CD2 3.97Å; V153-L198 HydrophobicContact CG1-CG 4.23Å; V153-I202 HydrophobicContact CG1-CD1 3.62Å
154	M	96.1	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-38.1	178.3	-175.2	66.2	-142.2	0	0	111.7	F150 L156 I157 M158 L198 M201 Y585 F590 I593 P594	F150-M154 WeakPolarHBondContact O-CB 3.41Å; F150-M154 PolarHBondContact O-N 3.38Å; M154-L156 VanDerWaalsContact C-N 3.26Å; M154-L156 PolarHBondContact O-N 3.03Å; M154-I157 HydrophobicContact CE-CB 4.4Å; M154-I157 HydrophobicContact CE-CG2 4.32Å; M154-I157 WeakPolarHBondContact O-CB 3.37Å; M154-I157 PolarHBondContact O-N 3.17Å; M154-I157 VanDerWaalsContact O-N 3.16Å; M154-I157 HydrophobicContact SD-CD1 4.34Å; M154-M158 HydrophobicContact CE-CG 3.97Å; M154-M158 HydrophobicContact CE-SD 3.56Å; M154-M158 VanDerWaalsContact CE-SD 3.56Å; M154-M158 WeakPolarHBondContact O-CG 3.4Å; M154-M158 PolarHBondContact O-N 2.97Å; M154-L198 HydrophobicContact CB-CD1 4.47Å; M154-L198 HydrophobicContact CB-CD2 4.5Å; M154-L198 HydrophobicContact SD-CD1 3.72Å; M154-M201 HydrophobicContact CE-CE 4.03Å; M154-M201 HydrophobicContact SD-CE 3.68Å; M154-Y585 HydrophobicContact CB-CE1 3.82Å; M154-Y585 HydrophobicContact CG-CD1 4.45Å; M154-Y585 HydrophobicContact CG-CE1 3.57Å; M154-F590 HydrophobicContact CB-CD1 4.02Å; M154-F590 HydrophobicContact CB-CE1 4.31Å; M154-F590 HydrophobicContact CG-CD1 3.87Å; M154-F590 HydrophobicContact SD-CB 3.89Å; M154-F590 HydrophobicContact SD-CD1 4.28Å; M154-F590 HydrophobicContact SD-CG 4.37Å; M154-I593 HydrophobicContact CE-CB 3.99Å; M154-I593 HydrophobicContact CE-CG2 4.02Å; M154-I593 HydrophobicContact CG-CD1 3.88Å; M154-I593 HydrophobicContact SD-CD1 4.5Å; M154-P594 HydrophobicContact CE-CG 3.94Å
155	S	94.9	Very high	91.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-34.2	173.6	-57.8	0	0	0	0	112.7	F120 M132 W151 S152 V153 M158 Q159	F120-S155 WeakPolarHBondContact CE2-OG 3.41Å; F120-S155 WeakPolarHBondContact CZ-OG 3.14Å; M132-S155 WeakPolarHBondContact CB-OG 3.49Å; W151-S155 WeakPolarHBondContact O-CB 3.2Å; W151-S155 PolarHBondContact O-N 3.33Å; W151-S155 PolarHBondContact O-OG 3.47Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 3.2Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 3.5Å; S155-M158 PolarHBondContact O-N 3.12Å; S155-Q159 WeakPolarHBondContact O-CG 3.22Å; S155-Q159 PolarHBondContact O-N 3.32Å
156	L	94.8	Very high	90.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-70.3	-35.4	176	-172.1	58.3	0	0	0	111.9	S152 V153 M154 Q159 S160 F173 L176 A177 M180	S152-L156 PolarHBondContact O-N 2.99Å; S152-L156 VanDerWaalsContact O-N 3.1Å; V153-L156 WeakPolarHBondContact O-CA 3.41Å; V153-L156 VanDerWaalsContact O-CB 3.28Å; V153-L156 WeakPolarHBondContact O-CB 3.33Å; V153-L156 PolarHBondContact O-N 3.48Å; M154-L156 VanDerWaalsContact C-N 3.26Å; M154-L156 PolarHBondContact O-N 3.03Å; L156-Q159 WeakPolarHBondContact O-CB 3.37Å; L156-Q159 PolarHBondContact O-N 2.84Å; L156-S160 PolarHBondContact O-N 2.86Å; L156-S160 VanDerWaalsContact O-N 3.07Å; L156-F173 HydrophobicContact CD1-CB 3.94Å; L156-F173 HydrophobicContact CD1-CD1 3.51Å; L156-F173 HydrophobicContact CD1-CE1 4.38Å; L156-F173 HydrophobicContact CD1-CG 4.1Å; L156-F173 WeakPolarHBondContact CD2-O 3.1Å; L156-F173 HydrophobicContact CG-CB 4.34Å; L156-F173 WeakPolarHBondContact CG-O 3.34Å; L156-L176 HydrophobicContact CD1-CD2 4.48Å; L156-L176 HydrophobicContact CD2-CB 3.88Å; L156-L176 HydrophobicContact CD2-CD2 3.83Å; L156-L176 HydrophobicContact CD2-CG 3.68Å; L156-A177 HydrophobicContact CB-CB 4.5Å; L156-A177 HydrophobicContact CD2-CB 3.77Å; L156-A177 HydrophobicContact CG-CB 4.18Å; L156-M180 HydrophobicContact CD2-SD 4.29Å
157	I	94.3	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-41.6	170.6	-60.6	172.7	0	0	0	110.4	V153 M154 Q159 S160 I161 A177 L198 M201 I202	V153-I157 PolarHBondContact O-N 3.38Å; V153-I157 VanDerWaalsContact O-N 3.09Å; M154-I157 HydrophobicContact CE-CB 4.4Å; M154-I157 HydrophobicContact CE-CG2 4.32Å; M154-I157 WeakPolarHBondContact O-CB 3.37Å; M154-I157 PolarHBondContact O-N 3.17Å; M154-I157 VanDerWaalsContact O-N 3.16Å; M154-I157 HydrophobicContact SD-CD1 4.34Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 2.76Å; I157-S160 CarbonylContact O-C 3.54Å; I157-S160 WeakPolarHBondContact O-CA 3.27Å; I157-S160 VanDerWaalsContact O-CB 3.29Å; I157-S160 WeakPolarHBondContact O-CB 3.34Å; I157-S160 PolarHBondContact O-N 3.33Å; I157-I161 HydrophobicContact CG2-CD1 3.8Å; I157-I161 HydrophobicContact CG2-CG1 4.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.28Å; I157-A177 HydrophobicContact CG1-CB 4.46Å; I157-L198 HydrophobicContact CD1-CD1 3.23Å; I157-L198 HydrophobicContact CD1-CG 4.36Å; I157-M201 HydrophobicContact CD1-CE 3.76Å; I157-M201 HydrophobicContact CG2-CE 4.4Å; I157-I202 HydrophobicContact CD1-CD1 3.93Å; I157-I202 HydrophobicContact CD1-CG1 3.38Å; I157-I202 HydrophobicContact CG1-CG1 3.99Å
158	M	93.2	Very high	90.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-39.5	175.7	-67.3	-50.2	-55.3	0	0	112.2	Y129 M154 S155 S160 I161 S162 I593 I597	Y129-M158 HydrophobicContact CD1-CB 3.44Å; Y129-M158 VanDerWaalsContact CD1-CB 3.44Å; Y129-M158 HydrophobicContact CD1-CG 4.19Å; Y129-M158 HydrophobicContact CD2-CB 4.22Å; Y129-M158 HydrophobicContact CE1-CB 3.82Å; Y129-M158 HydrophobicContact CE1-CE 3.98Å; Y129-M158 HydrophobicContact CE1-CG 4.25Å; Y129-M158 HydrophobicContact CG-CB 3.68Å; M154-M158 HydrophobicContact CE-CG 3.97Å; M154-M158 HydrophobicContact CE-SD 3.56Å; M154-M158 VanDerWaalsContact CE-SD 3.56Å; M154-M158 WeakPolarHBondContact O-CG 3.4Å; M154-M158 PolarHBondContact O-N 2.97Å; S155-M158 PolarHBondContact O-N 3.12Å; M158-S160 VanDerWaalsContact C-N 3.31Å; M158-S160 PolarHBondContact O-N 2.59Å; M158-I161 HydrophobicContact CE-CD1 4.47Å; M158-I161 PolarHBondContact O-N 3.33Å; M158-I161 HydrophobicContact SD-CD1 3.93Å; M158-S162 WeakPolarHBondContact O-CB 3.37Å; M158-S162 PolarHBondContact O-N 3.21Å; M158-S162 PolarHBondContact O-OG 3.12Å; M158-S162 VanDerWaalsContact O-OG 3.08Å; M158-I593 HydrophobicContact CE-CG2 4.46Å; M158-I593 HydrophobicContact CG-CG2 4.35Å; M158-I593 HydrophobicContact SD-CG2 3.69Å; M158-I597 HydrophobicContact CE-CB 4.32Å; M158-I597 HydrophobicContact CE-CD1 4.43Å; M158-I597 HydrophobicContact CE-CG1 3.76Å; M158-I597 HydrophobicContact CE-CG2 4.34Å
159	Q	92.4	Very high	89.7	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.065	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-41.3	170.4	-73.6	176.5	83.6	0	0	112.2	Y129 K130 S155 L156 I157 S162 A163 F173	Y129-Q159 VanDerWaalsContact CB-CG 3.45Å; Y129-Q159 PolarHBondContact O-NE2 3.5Å; K130-Q159 HydrophobicContact CB-CG 4.49Å; S155-Q159 WeakPolarHBondContact O-CG 3.22Å; S155-Q159 PolarHBondContact O-N 3.32Å; L156-Q159 WeakPolarHBondContact O-CB 3.37Å; L156-Q159 PolarHBondContact O-N 2.84Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 2.76Å; Q159-S162 PolarHBondContact O-N 3.15Å; Q159-S162 PolarHBondContact O-OG 2.87Å; Q159-A163 WeakPolarHBondContact O-CB 3.43Å; Q159-A163 PolarHBondContact O-N 2.98Å; Q159-F173 HydrophobicContact CB-CD1 4.47Å; Q159-F173 HydrophobicContact CB-CD2 4.36Å; Q159-F173 HydrophobicContact CB-CE1 4.37Å; Q159-F173 HydrophobicContact CB-CE2 4.3Å; Q159-F173 HydrophobicContact CB-CG 4.45Å; Q159-F173 HydrophobicContact CB-CZ 4.31Å
160	S	91.4	Very high	89.1	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-39.7	176.8	156.7	0	0	0	0	112.5	L156 I157 M158 S169 L174	L156-S160 PolarHBondContact O-N 2.86Å; L156-S160 VanDerWaalsContact O-N 3.07Å; I157-S160 CarbonylContact O-C 3.54Å; I157-S160 WeakPolarHBondContact O-CA 3.27Å; I157-S160 VanDerWaalsContact O-CB 3.29Å; I157-S160 WeakPolarHBondContact O-CB 3.34Å; I157-S160 PolarHBondContact O-N 3.33Å; M158-S160 VanDerWaalsContact C-N 3.31Å; M158-S160 PolarHBondContact O-N 2.59Å; S160-S169 WeakPolarHBondContact CA-OG 3.39Å; S160-S169 WeakPolarHBondContact CB-OG 3.42Å; S160-S169 PolarHBondContact O-OG 3.2Å; S160-S169 PolarHBondContact OG-OG 2.68Å; S160-L174 WeakPolarHBondContact OG-CD2 3.27Å; S160-L174 VanDerWaalsContact OG-CG 3.29Å; S160-L174 WeakPolarHBondContact OG-CG 3.47Å
161	I	88.6	Confident	88.6	Confident	62 Å²	62	48.2 Å²	48.2	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-69.7	-37.4	178.1	-66.1	162.6	0	0	0	111.3	I157 M158 P594	I157-I161 HydrophobicContact CG2-CD1 3.8Å; I157-I161 HydrophobicContact CG2-CG1 4.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.28Å; M158-I161 HydrophobicContact CE-CD1 4.47Å; M158-I161 PolarHBondContact O-N 3.33Å; M158-I161 HydrophobicContact SD-CD1 3.93Å; I161-P594 HydrophobicContact CD1-CB 4.04Å; I161-P594 HydrophobicContact CD1-CG 3.84Å
162	S	85.5	Confident	88.3	Confident	65 Å²	65	51.9 Å²	51.9	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.6	-179.2	67.3	0	0	0	0	114.2	Y129 M158 Q159 Q164	Y129-S162 VanDerWaalsContact CD2-OG 3.32Å; Y129-S162 WeakPolarHBondContact CD2-OG 3.41Å; M158-S162 WeakPolarHBondContact O-CB 3.37Å; M158-S162 PolarHBondContact O-N 3.21Å; M158-S162 PolarHBondContact O-OG 3.12Å; M158-S162 VanDerWaalsContact O-OG 3.08Å; Q159-S162 PolarHBondContact O-N 3.15Å; Q159-S162 PolarHBondContact O-OG 2.87Å; S162-Q164 PolarHBondContact O-N 3.35Å
163	A	83.1	Confident	88.2	Confident	29 Å²	29	53.1 Å²	53.1	24%	0.24	28%	0.278	C	S	.	.			trans	-69.6	128.8	-176.4	0	0	0	0	0	110.4	Q159 D165 F173	Q159-A163 WeakPolarHBondContact O-CB 3.43Å; Q159-A163 PolarHBondContact O-N 2.98Å; A163-D165 VanDerWaalsContact C-N 3.28Å; A163-F173 HydrophobicContact CB-CE2 4.32Å
164	Q	72.9	Confident	88	Confident	205 Å²	205	53.3 Å²	53.3	96%	0.958	28%	0.279	S	S	*	.	S	Bend	trans	-69.5	-28.6	172.2	-67.1	-178.7	-14.9	0	0	112.1	S162	S162-Q164 PolarHBondContact O-N 3.35Å
165	D	82.1	Confident	88	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	29%	0.288	S	S	.	.			trans	-99.2	109.7	176.6	-178.8	7.4	0	0	0	111	A163 N167 L168 S169	A163-D165 VanDerWaalsContact C-N 3.28Å; D165-N167 PolarHBondContact O-N 3.34Å; D165-N167 VanDerWaalsContact OD1-CB 3.29Å; D165-N167 WeakPolarHBondContact OD1-CB 3.49Å; D165-N167 PolarHBondContact OD1-N 3.06Å; D165-N167 PolarHBondContact OD1-ND2 2.98Å; D165-L168 HydrophobicContact CB-CB 4.26Å; D165-L168 PolarHBondContact O-N 3.41Å; D165-S169 PolarHBondContact O-N 3.06Å
166	E	79	Confident	88	Confident	132 Å²	132	57.4 Å²	57.4	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-60.3	-29.3	176.2	-71.5	-163.8	-170.1	0	0	113.1	S169 K170	E166-S169 VanDerWaalsContact O-CB 3.27Å; E166-S169 WeakPolarHBondContact O-CB 3.42Å; E166-S169 PolarHBondContact O-N 2.83Å; E166-K170 PolarHBondContact O-N 3.48Å; E166-K170 IonicContact OE2-NZ 3.94Å; E166-K170 PolarHBondContact OE2-NZ 3.3Å
167	N	82.8	Confident	88.1	Confident	110 Å²	110	57.4 Å²	57.4	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-67.2	-44.3	180	-65.1	-51.6	0	0	0	110.5	D165 S169 K170 T171	D165-N167 PolarHBondContact O-N 3.34Å; D165-N167 VanDerWaalsContact OD1-CB 3.29Å; D165-N167 WeakPolarHBondContact OD1-CB 3.49Å; D165-N167 PolarHBondContact OD1-N 3.06Å; D165-N167 PolarHBondContact OD1-ND2 2.98Å; N167-S169 PolarHBondContact O-N 3.26Å; N167-K170 PolarHBondContact O-N 2.8Å; N167-T171 VanDerWaalsContact O-CB 3.31Å; N167-T171 WeakPolarHBondContact O-CB 3.27Å; N167-T171 WeakPolarHBondContact O-CG2 3.4Å; N167-T171 PolarHBondContact O-N 2.97Å; N167-T171 PolarHBondContact O-OG1 3.32Å
168	L	86.5	Confident	88.2	Confident	64 Å²	64	57.9 Å²	57.9	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-37.9	176	-166.4	68.2	0	0	0	111.6	D165 M172 F173	D165-L168 HydrophobicContact CB-CB 4.26Å; D165-L168 PolarHBondContact O-N 3.41Å; L168-M172 HydrophobicContact CD1-CB 4Å; L168-M172 HydrophobicContact CD1-CE 3.47Å; L168-M172 VanDerWaalsContact CD1-CE 3.47Å; L168-M172 HydrophobicContact CD1-SD 3.75Å; L168-M172 HydrophobicContact CD2-CE 4.19Å; L168-M172 HydrophobicContact CG-CE 3.82Å; L168-M172 WeakPolarHBondContact O-CB 3.16Å; L168-M172 PolarHBondContact O-N 3.18Å; L168-M172 VanDerWaalsContact O-N 3.11Å; L168-F173 HydrophobicContact CB-CE2 4.5Å; L168-F173 HydrophobicContact CD2-CE2 3.56Å; L168-F173 HydrophobicContact CD2-CZ 3.73Å; L168-F173 HydrophobicContact CG-CD2 4.21Å; L168-F173 HydrophobicContact CG-CE2 3.7Å; L168-F173 HydrophobicContact CG-CZ 4.07Å; L168-F173 PolarHBondContact O-N 3.36Å
169	S	85.8	Confident	88.4	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.098	33%	0.333	C	S	.	.	I	π-helix	trans	-58	-52.7	175.6	-166.3	0	0	0	0	112	S160 D165 E166 N167 L174	S160-S169 WeakPolarHBondContact CA-OG 3.39Å; S160-S169 WeakPolarHBondContact CB-OG 3.42Å; S160-S169 PolarHBondContact O-OG 3.2Å; S160-S169 PolarHBondContact OG-OG 2.68Å; D165-S169 PolarHBondContact O-N 3.06Å; E166-S169 VanDerWaalsContact O-CB 3.27Å; E166-S169 WeakPolarHBondContact O-CB 3.42Å; E166-S169 PolarHBondContact O-N 2.83Å; N167-S169 PolarHBondContact O-N 3.26Å; S169-L174 WeakPolarHBondContact O-CB 3.48Å; S169-L174 WeakPolarHBondContact O-CG 3.37Å; S169-L174 PolarHBondContact O-N 3.41Å
170	K	82.1	Confident	88.6	Confident	114 Å²	114	65.8 Å²	65.8	50%	0.496	34%	0.335	S	S	.	.	I	π-helix	trans	-83.9	-24.8	-174.5	-67.9	174.6	-178.7	159.8	0	114.7	E166 N167 P175	E166-K170 PolarHBondContact O-N 3.48Å; E166-K170 IonicContact OE2-NZ 3.94Å; E166-K170 PolarHBondContact OE2-NZ 3.3Å; N167-K170 PolarHBondContact O-N 2.8Å; K170-P175 VanDerWaalsContact O-CD 3.24Å; K170-P175 WeakPolarHBondContact O-CD 3.4Å; K170-P175 WeakPolarHBondContact O-CG 3.36Å
171	T	86.1	Confident	88.9	Confident	103 Å²	103	65.5 Å²	65.5	63%	0.632	33%	0.333	S	S	*	.	I	π-helix	trans	-101.2	-23.9	-174.9	63.4	0	0	0	0	114.2	N167	N167-T171 VanDerWaalsContact O-CB 3.31Å; N167-T171 WeakPolarHBondContact O-CB 3.27Å; N167-T171 WeakPolarHBondContact O-CG2 3.4Å; N167-T171 PolarHBondContact O-N 2.97Å; N167-T171 PolarHBondContact O-OG1 3.32Å
172	M	90.9	Very high	89.2	Confident	89 Å²	89	64.9 Å²	64.9	44%	0.438	33%	0.328	S	S	.	.	I	π-helix	trans	-119.5	-57.1	-175.9	-169.5	-178.4	76.5	0	0	112.7	L168 L176	L168-M172 HydrophobicContact CD1-CB 4Å; L168-M172 HydrophobicContact CD1-CE 3.47Å; L168-M172 VanDerWaalsContact CD1-CE 3.47Å; L168-M172 HydrophobicContact CD1-SD 3.75Å; L168-M172 HydrophobicContact CD2-CE 4.19Å; L168-M172 HydrophobicContact CG-CE 3.82Å; L168-M172 WeakPolarHBondContact O-CB 3.16Å; L168-M172 PolarHBondContact O-N 3.18Å; L168-M172 VanDerWaalsContact O-N 3.11Å; M172-L176 WeakPolarHBondContact O-CB 3.48Å; M172-L176 PolarHBondContact O-N 3.49Å
173	F	93	Very high	89.7	Confident	25 Å²	25	67 Å²	67	11%	0.11	33%	0.329	C	S	.	.	I	π-helix	trans	-72.3	-57.2	-171.2	-64.2	-45.6	0	0	0	112.6	L156 Q159 A163 L168 L176 A177	L156-F173 HydrophobicContact CD1-CB 3.94Å; L156-F173 HydrophobicContact CD1-CD1 3.51Å; L156-F173 HydrophobicContact CD1-CE1 4.38Å; L156-F173 HydrophobicContact CD1-CG 4.1Å; L156-F173 WeakPolarHBondContact CD2-O 3.1Å; L156-F173 HydrophobicContact CG-CB 4.34Å; L156-F173 WeakPolarHBondContact CG-O 3.34Å; Q159-F173 HydrophobicContact CB-CD1 4.47Å; Q159-F173 HydrophobicContact CB-CD2 4.36Å; Q159-F173 HydrophobicContact CB-CE1 4.37Å; Q159-F173 HydrophobicContact CB-CE2 4.3Å; Q159-F173 HydrophobicContact CB-CG 4.45Å; Q159-F173 HydrophobicContact CB-CZ 4.31Å; A163-F173 HydrophobicContact CB-CE2 4.32Å; L168-F173 HydrophobicContact CB-CE2 4.5Å; L168-F173 HydrophobicContact CD2-CE2 3.56Å; L168-F173 HydrophobicContact CD2-CZ 3.73Å; L168-F173 HydrophobicContact CG-CD2 4.21Å; L168-F173 HydrophobicContact CG-CE2 3.7Å; L168-F173 HydrophobicContact CG-CZ 4.07Å; L168-F173 PolarHBondContact O-N 3.36Å; F173-L176 PolarHBondContact O-N 3.05Å; F173-A177 PolarHBondContact O-N 3.02Å
174	L	93.6	Very high	90.3	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-42	-178	-66.5	171.6	0	0	0	113.2	S160 S169 L176 A177 E178 R205 L206	S160-L174 WeakPolarHBondContact OG-CD2 3.27Å; S160-L174 VanDerWaalsContact OG-CG 3.29Å; S160-L174 WeakPolarHBondContact OG-CG 3.47Å; S169-L174 WeakPolarHBondContact O-CB 3.48Å; S169-L174 WeakPolarHBondContact O-CG 3.37Å; S169-L174 PolarHBondContact O-N 3.41Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 3.26Å; L174-A177 WeakPolarHBondContact O-CB 3.35Å; L174-A177 PolarHBondContact O-N 3.48Å; L174-A177 VanDerWaalsContact O-N 3.14Å; L174-E178 PolarHBondContact O-N 3.05Å; L174-R205 HydrophobicContact CD1-CB 3.9Å; L174-R205 HydrophobicContact CD2-CB 4.16Å; L174-L206 HydrophobicContact CB-CD1 4.43Å; L174-L206 HydrophobicContact CB-CD2 3.36Å; L174-L206 HydrophobicContact CB-CG 3.75Å; L174-L206 HydrophobicContact CD1-CD2 4.31Å; L174-L206 HydrophobicContact CG-CD2 4.48Å
175	P	94.9	Very high	91.3	Very high	31 Å²	31	58.2 Å²	58.2	20%	0.201	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-29.1	176.2	-23.9	36	0	0	0	113.4	K170 R179 L206	K170-P175 VanDerWaalsContact O-CD 3.24Å; K170-P175 WeakPolarHBondContact O-CD 3.4Å; K170-P175 WeakPolarHBondContact O-CG 3.36Å; P175-R179 WeakPolarHBondContact O-CG 3.29Å; P175-R179 PolarHBondContact O-N 3.47Å; P175-R179 VanDerWaalsContact O-N 3.11Å; P175-R179 PolarHBondContact O-NE 2.91Å; P175-L206 HydrophobicContact CG-CD2 3.92Å
176	L	95.6	Very high	91.9	Very high	56 Å²	56	62 Å²	62	29%	0.293	30%	0.3	S	S	.	.	H	α-helix	trans	-70.2	-42	171.5	175.9	63.9	0	0	0	110.9	L156 M172 F173 L174 E178 R179 M180	L156-L176 HydrophobicContact CD1-CD2 4.48Å; L156-L176 HydrophobicContact CD2-CB 3.88Å; L156-L176 HydrophobicContact CD2-CD2 3.83Å; L156-L176 HydrophobicContact CD2-CG 3.68Å; M172-L176 WeakPolarHBondContact O-CB 3.48Å; M172-L176 PolarHBondContact O-N 3.49Å; F173-L176 PolarHBondContact O-N 3.05Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 3.26Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-R179 PolarHBondContact O-N 2.97Å; L176-M180 HydrophobicContact CD1-CG 4.41Å; L176-M180 HydrophobicContact CG-SD 4.33Å; L176-M180 WeakPolarHBondContact O-CB 3.18Å; L176-M180 VanDerWaalsContact O-CG 3.27Å; L176-M180 WeakPolarHBondContact O-CG 3.18Å; L176-M180 PolarHBondContact O-N 3.28Å
177	A	96.5	Very high	92.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-45.7	175.6	0	0	0	0	0	111.2	V153 L156 I157 F173 L174 M180 V181 I202	V153-A177 HydrophobicContact CG1-CB 4.2Å; L156-A177 HydrophobicContact CB-CB 4.5Å; L156-A177 HydrophobicContact CD2-CB 3.77Å; L156-A177 HydrophobicContact CG-CB 4.18Å; I157-A177 HydrophobicContact CG1-CB 4.46Å; F173-A177 PolarHBondContact O-N 3.02Å; L174-A177 WeakPolarHBondContact O-CB 3.35Å; L174-A177 PolarHBondContact O-N 3.48Å; L174-A177 VanDerWaalsContact O-N 3.14Å; A177-M180 WeakPolarHBondContact O-CB 3.35Å; A177-M180 PolarHBondContact O-N 3.44Å; A177-V181 WeakPolarHBondContact O-CG2 3.39Å; A177-V181 PolarHBondContact O-N 3.02Å; A177-I202 HydrophobicContact CB-CD1 4Å; A177-I202 HydrophobicContact CB-CG1 4.29Å; A177-I202 HydrophobicContact CB-CG2 4.39Å
178	E	97.3	Very high	92.9	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-54	174.9	175.5	-179.2	-125.4	0	0	111.7	L174 L176 M180 V181 E182 I202 L203 L206 K208	L174-E178 PolarHBondContact O-N 3.05Å; L176-E178 VanDerWaalsContact C-N 3.34Å; E178-M180 PolarHBondContact O-N 3.02Å; E178-V181 PolarHBondContact O-N 3.22Å; E178-E182 HydrophobicContact CG-CG 4.31Å; E178-E182 PolarHBondContact O-N 3.14Å; E178-I202 HydrophobicContact CB-CG2 3.83Å; E178-L203 HydrophobicContact CG-CD2 4.46Å; E178-L203 WeakPolarHBondContact OE1-CD2 3.47Å; E178-L206 HydrophobicContact CB-CD1 3.78Å; E178-L206 HydrophobicContact CG-CD1 4.23Å; E178-K208 WeakPolarHBondContact OE1-CD 3.48Å; E178-K208 WeakPolarHBondContact OE1-CE 3.38Å; E178-K208 IonicContact OE1-NZ 2.7Å; E178-K208 PolarHBondContact OE1-NZ 3.24Å; E178-K208 IonicContact OE2-NZ 3.94Å; E178-K208 PolarHBondContact OE2-NZ 3.05Å
179	R	96.9	Very high	93.2	Very high	160 Å²	160	61.3 Å²	61.3	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-58.6	-34.8	179.1	-74.8	-173.7	-62.6	158.9	-1.7	112.9	P175 L176 K183	P175-R179 WeakPolarHBondContact O-CG 3.29Å; P175-R179 PolarHBondContact O-N 3.47Å; P175-R179 VanDerWaalsContact O-N 3.11Å; P175-R179 PolarHBondContact O-NE 2.91Å; L176-R179 PolarHBondContact O-N 2.97Å; R179-K183 PolarHBondContact O-N 3.05Å; R179-K183 VanDerWaalsContact O-N 3.16Å
180	M	96.6	Very high	93.5	Very high	21 Å²	21	60.9 Å²	60.9	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.1	-76.2	-179.7	68.2	0	0	111.5	M137 Y149 V153 L156 L176 A177 E178 K183	M137-M180 HydrophobicContact CE-CE 3.43Å; M137-M180 VanDerWaalsContact CE-CE 3.43Å; Y149-M180 HydrophobicContact CE1-CB 4.12Å; Y149-M180 HydrophobicContact CE1-CE 4.2Å; Y149-M180 WeakPolarHBondContact CE1-O 3.33Å; Y149-M180 HydrophobicContact CE2-CE 3.92Å; Y149-M180 VanDerWaalsContact OH-CA 3.25Å; Y149-M180 WeakPolarHBondContact OH-CA 3.44Å; Y149-M180 WeakPolarHBondContact OH-CB 3.34Å; Y149-M180 PolarHBondContact OH-O 3.25Å; V153-M180 HydrophobicContact CG2-CB 4.03Å; V153-M180 HydrophobicContact CG2-CE 3.85Å; V153-M180 HydrophobicContact CG2-SD 4.48Å; L156-M180 HydrophobicContact CD2-SD 4.29Å; L176-M180 HydrophobicContact CD1-CG 4.41Å; L176-M180 HydrophobicContact CG-SD 4.33Å; L176-M180 WeakPolarHBondContact O-CB 3.18Å; L176-M180 VanDerWaalsContact O-CG 3.27Å; L176-M180 WeakPolarHBondContact O-CG 3.18Å; L176-M180 PolarHBondContact O-N 3.28Å; A177-M180 WeakPolarHBondContact O-CB 3.35Å; A177-M180 PolarHBondContact O-N 3.44Å; E178-M180 PolarHBondContact O-N 3.02Å; M180-K183 WeakPolarHBondContact O-CB 3.44Å; M180-K183 PolarHBondContact O-N 2.78Å
181	V	96.8	Very high	93.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.2	-43.5	178.4	179.8	0	0	0	0	111.6	F150 V153 A177 E178 K183 M184 V185 I190 Y199 I202	F150-V181 HydrophobicContact CE1-CG1 4.33Å; F150-V181 HydrophobicContact CE1-CG2 4.05Å; V153-V181 HydrophobicContact CG1-CG2 3.66Å; V153-V181 HydrophobicContact CG2-CG2 4.18Å; A177-V181 WeakPolarHBondContact O-CG2 3.39Å; A177-V181 PolarHBondContact O-N 3.02Å; E178-V181 PolarHBondContact O-N 3.22Å; V181-K183 PolarHBondContact O-N 3.46Å; V181-M184 WeakPolarHBondContact O-CA 3.22Å; V181-M184 WeakPolarHBondContact O-CB 3.39Å; V181-M184 PolarHBondContact O-N 3.34Å; V181-V185 HydrophobicContact CG1-CG2 4.27Å; V181-V185 WeakPolarHBondContact O-CG2 3.23Å; V181-V185 PolarHBondContact O-N 3.4Å; V181-I190 HydrophobicContact CG1-CD1 4.44Å; V181-Y199 HydrophobicContact CB-CD2 4.01Å; V181-Y199 HydrophobicContact CB-CE2 4.49Å; V181-Y199 HydrophobicContact CG1-CD1 4.27Å; V181-Y199 HydrophobicContact CG1-CD2 3.5Å; V181-Y199 VanDerWaalsContact CG1-CD2 3.5Å; V181-Y199 HydrophobicContact CG1-CE2 4.19Å; V181-Y199 HydrophobicContact CG1-CG 3.56Å; V181-I202 HydrophobicContact CG2-CD1 3.63Å
182	E	95.8	Very high	93.8	Very high	49 Å²	49	59.2 Å²	59.2	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-55.5	-36.5	175.6	-80.5	-170	-167.7	0	0	112.7	E178 M184 V185 K186	E178-E182 HydrophobicContact CG-CG 4.31Å; E178-E182 PolarHBondContact O-N 3.14Å; E182-M184 VanDerWaalsContact C-N 3.32Å; E182-M184 PolarHBondContact O-N 2.94Å; E182-V185 PolarHBondContact O-N 2.96Å; E182-K186 WeakPolarHBondContact O-CB 3.46Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.27Å; E182-K186 IonicContact OE2-NZ 3.72Å; E182-K186 PolarHBondContact OE2-NZ 3.43Å
183	K	95.9	Very high	93.8	Very high	109 Å²	109	56.9 Å²	56.9	47%	0.474	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-45.9	175	-178.1	-172.1	170	-173.9	0	110.6	R179 M180 V181 K186 E187	R179-K183 PolarHBondContact O-N 3.05Å; R179-K183 VanDerWaalsContact O-N 3.16Å; M180-K183 WeakPolarHBondContact O-CB 3.44Å; M180-K183 PolarHBondContact O-N 2.78Å; V181-K183 PolarHBondContact O-N 3.46Å; K183-K186 PolarHBondContact O-N 2.97Å; K183-E187 WeakPolarHBondContact CE-OE1 3.29Å; K183-E187 IonicContact NZ-OE1 2.72Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 2.95Å; K183-E187 VanDerWaalsContact O-N 3.11Å
184	M	95.3	Very high	93.8	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-33.8	177.9	-65.6	-56.2	-174	0	0	112.5	Y149 F150 V181 E182 E187 D188 K189 I190	Y149-M184 HydrophobicContact CD1-CE 3.5Å; Y149-M184 HydrophobicContact CD1-CG 3.82Å; Y149-M184 HydrophobicContact CD2-CE 3.45Å; Y149-M184 VanDerWaalsContact CD2-CE 3.45Å; Y149-M184 HydrophobicContact CE1-CE 3.61Å; Y149-M184 HydrophobicContact CE1-CG 3.56Å; Y149-M184 HydrophobicContact CE1-SD 4.45Å; Y149-M184 HydrophobicContact CE2-CE 3.56Å; Y149-M184 HydrophobicContact CG-CE 3.41Å; Y149-M184 VanDerWaalsContact CG-CE 3.41Å; F150-M184 HydrophobicContact CZ-CB 4.06Å; F150-M184 HydrophobicContact CZ-CG 4.1Å; V181-M184 WeakPolarHBondContact O-CA 3.22Å; V181-M184 WeakPolarHBondContact O-CB 3.39Å; V181-M184 PolarHBondContact O-N 3.34Å; E182-M184 VanDerWaalsContact C-N 3.32Å; E182-M184 PolarHBondContact O-N 2.94Å; M184-E187 PolarHBondContact O-N 2.95Å; M184-D188 PolarHBondContact O-N 2.66Å; M184-K189 HydrophobicContact CB-CB 4.44Å; M184-K189 PolarHBondContact O-N 3.04Å; M184-K189 HydrophobicContact SD-CB 4.09Å; M184-K189 HydrophobicContact SD-CD 4.01Å; M184-I190 HydrophobicContact CB-CD1 4.05Å
185	V	94.3	Very high	93.8	Very high	49 Å²	49	56.8 Å²	56.8	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-46.9	172.2	175.7	0	0	0	0	110.9	V181 E182 E187 D188 I190 Y199 L220	V181-V185 HydrophobicContact CG1-CG2 4.27Å; V181-V185 WeakPolarHBondContact O-CG2 3.23Å; V181-V185 PolarHBondContact O-N 3.4Å; E182-V185 PolarHBondContact O-N 2.96Å; V185-E187 VanDerWaalsContact C-N 3.26Å; V185-E187 PolarHBondContact O-N 3.26Å; V185-D188 PolarHBondContact O-N 3.41Å; V185-D188 VanDerWaalsContact O-N 3.13Å; V185-I190 HydrophobicContact CB-CG1 4.48Å; V185-I190 HydrophobicContact CG2-CD1 4.22Å; V185-I190 HydrophobicContact CG2-CG1 3.79Å; V185-Y199 HydrophobicContact CG2-CD1 4.26Å; V185-Y199 HydrophobicContact CG2-CE1 4.09Å; V185-L220 HydrophobicContact CG1-CD1 4.31Å; V185-L220 HydrophobicContact CG2-CD1 4.28Å
186	K	93.7	Very high	93.8	Very high	161 Å²	161	55.4 Å²	55.4	70%	0.7	27%	0.266	S	S	*	.	H	α-helix	trans	-64.6	-29.2	178.7	-72.5	165	-173.5	156.1	0	112.8	E182 K183 D188	E182-K186 WeakPolarHBondContact O-CB 3.46Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.27Å; E182-K186 IonicContact OE2-NZ 3.72Å; E182-K186 PolarHBondContact OE2-NZ 3.43Å; K183-K186 PolarHBondContact O-N 2.97Å; K186-D188 VanDerWaalsContact C-N 3.33Å
187	E	93	Very high	93.7	Very high	79 Å²	79	53.8 Å²	53.8	37%	0.369	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.1	177.2	-68.8	178.3	-164.5	0	0	113.6	K183 M184 V185 K189	K183-E187 WeakPolarHBondContact CE-OE1 3.29Å; K183-E187 IonicContact NZ-OE1 2.72Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 2.95Å; K183-E187 VanDerWaalsContact O-N 3.11Å; M184-E187 PolarHBondContact O-N 2.95Å; V185-E187 VanDerWaalsContact C-N 3.26Å; V185-E187 PolarHBondContact O-N 3.26Å; E187-K189 HydrophobicContact CB-CD 4Å; E187-K189 HydrophobicContact CB-CG 4.02Å; E187-K189 PolarHBondContact O-N 3.16Å; E187-K189 WeakPolarHBondContact OE2-CD 3.36Å; E187-K189 WeakPolarHBondContact OE2-CE 3.43Å; E187-K189 IonicContact OE2-NZ 2.71Å; E187-K189 PolarHBondContact OE2-NZ 3.48Å
188	D	90.1	Very high	93.6	Very high	129 Å²	129	53.8 Å²	53.8	69%	0.69	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	35	-173.8	-154.6	28.6	0	0	0	113.4	M184 V185 K186	M184-D188 PolarHBondContact O-N 2.66Å; V185-D188 PolarHBondContact O-N 3.41Å; V185-D188 VanDerWaalsContact O-N 3.13Å; K186-D188 VanDerWaalsContact C-N 3.33Å
189	K	92.1	Very high	93.6	Very high	82 Å²	82	54.3 Å²	54.3	36%	0.357	26%	0.259	S	S	.	.			trans	-102.7	24.5	-179.9	-68	179.9	-176.6	165.3	0	113	N146 M184 E187	N146-K189 PolarHBondContact ND2-O 2.96Å; M184-K189 HydrophobicContact CB-CB 4.44Å; M184-K189 PolarHBondContact O-N 3.04Å; M184-K189 HydrophobicContact SD-CB 4.09Å; M184-K189 HydrophobicContact SD-CD 4.01Å; E187-K189 HydrophobicContact CB-CD 4Å; E187-K189 HydrophobicContact CB-CG 4.02Å; E187-K189 PolarHBondContact O-N 3.16Å; E187-K189 WeakPolarHBondContact OE2-CD 3.36Å; E187-K189 WeakPolarHBondContact OE2-CE 3.43Å; E187-K189 IonicContact OE2-NZ 2.71Å; E187-K189 PolarHBondContact OE2-NZ 3.48Å
190	I	92.6	Very high	93.5	Very high	6 Å²	6	47 Å²	47	3%	0.031	23%	0.231	C	C	.	.			trans	-94.2	100.1	168.7	-60.6	-66.3	0	0	0	107	F150 V181 M184 V185 E195 V196 L220 K223	F150-I190 HydrophobicContact CE1-CD1 4.13Å; F150-I190 HydrophobicContact CE2-CD1 4.46Å; F150-I190 HydrophobicContact CZ-CD1 3.52Å; V181-I190 HydrophobicContact CG1-CD1 4.44Å; M184-I190 HydrophobicContact CB-CD1 4.05Å; V185-I190 HydrophobicContact CB-CG1 4.48Å; V185-I190 HydrophobicContact CG2-CD1 4.22Å; V185-I190 HydrophobicContact CG2-CG1 3.79Å; I190-E195 HydrophobicContact CD1-CB 4.05Å; I190-E195 HydrophobicContact CG2-CB 4.01Å; I190-V196 HydrophobicContact CG2-CG2 3.78Å; I190-L220 HydrophobicContact CB-CD2 4.23Å; I190-L220 HydrophobicContact CG2-CD2 4Å; I190-K223 PolarHBondContact O-NZ 3.05Å
191	E	84.8	Confident	93.5	Very high	138 Å²	138	46.5 Å²	46.5	65%	0.645	23%	0.229	S	C	*	.			trans	-97	-36.9	-170.5	-64.8	179.4	179.5	0	0	111.3	E195 K223	E191-E195 PolarHBondContact N-OE2 3.22Å; E191-K223 PolarHBondContact O-NZ 2.87Å
192	A	89.3	Confident	93.4	Very high	43 Å²	43	46.5 Å²	46.5	36%	0.355	23%	0.229	S	C	.	.	S	Bend	trans	-117.9	160.5	-168.4	0	0	0	0	0	114.1	E195	A192-E195 HydrophobicContact CB-CG 4.43Å; A192-E195 PolarHBondContact N-OE2 3.31Å; A192-E195 PolarHBondContact O-N 2.95Å
193	E	91.9	Very high	93.5	Very high	40 Å²	40	44.2 Å²	44.2	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-46.7	176.2	-177.3	168.3	-158.4	0	0	112.4	E195 V196 E197 L224 T225 S226	E193-E195 PolarHBondContact O-N 3.3Å; E193-V196 WeakPolarHBondContact O-CA 3.44Å; E193-V196 WeakPolarHBondContact O-CB 3.47Å; E193-V196 PolarHBondContact O-N 3.44Å; E193-E197 HydrophobicContact CG-CG 4.37Å; E193-E197 WeakPolarHBondContact O-CG 3.15Å; E193-E197 PolarHBondContact O-N 3.4Å; E193-L224 HydrophobicContact CG-CD2 3.69Å; E193-L224 WeakPolarHBondContact OE1-CA 3.42Å; E193-T225 PolarHBondContact OE1-N 3.39Å; E193-S226 VanDerWaalsContact CD-CB 3.5Å; E193-S226 WeakPolarHBondContact OE1-CB 3.48Å; E193-S226 PolarHBondContact OE1-N 2.78Å; E193-S226 WeakPolarHBondContact OE2-CB 3.44Å; E193-S226 PolarHBondContact OE2-N 3.37Å
194	A	92.4	Very high	93.4	Very high	17 Å²	17	41 Å²	41	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-51.2	-34	179	0	0	0	0	0	113.9	L198 G588 F590	A194-L198 VanDerWaalsContact O-CB 3.24Å; A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.38Å; A194-G588 WeakPolarHBondContact CB-O 3.36Å; A194-F590 HydrophobicContact CB-CD2 3.98Å; A194-F590 HydrophobicContact CB-CE2 4.09Å
195	E	94.5	Very high	93.2	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-75.4	-34	-178.2	-61.3	159	168.9	0	0	110.9	N146 F150 I190 E191 A192 E193 Y199	N146-E195 PolarHBondContact ND2-OE1 3.3Å; N146-E195 VanDerWaalsContact ND2-OE1 3.08Å; F150-E195 HydrophobicContact CD1-CG 4.34Å; F150-E195 HydrophobicContact CD2-CG 3.68Å; F150-E195 HydrophobicContact CE1-CB 4.21Å; F150-E195 HydrophobicContact CE1-CG 4.28Å; F150-E195 HydrophobicContact CE2-CB 4.28Å; F150-E195 HydrophobicContact CE2-CG 3.65Å; F150-E195 HydrophobicContact CG-CG 4.05Å; F150-E195 HydrophobicContact CZ-CB 4.09Å; F150-E195 HydrophobicContact CZ-CG 3.98Å; I190-E195 HydrophobicContact CD1-CB 4.05Å; I190-E195 HydrophobicContact CG2-CB 4.01Å; E191-E195 PolarHBondContact N-OE2 3.22Å; A192-E195 HydrophobicContact CB-CG 4.43Å; A192-E195 PolarHBondContact N-OE2 3.31Å; A192-E195 PolarHBondContact O-N 2.95Å; E193-E195 PolarHBondContact O-N 3.3Å; E195-Y199 WeakPolarHBondContact O-CB 3.44Å; E195-Y199 PolarHBondContact O-N 3.43Å
196	V	94.8	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-42.8	172.2	-176.9	0	0	0	0	110.5	I190 E193 L198 Y199 Y200 V215 I216 L220 K223 L224	I190-V196 HydrophobicContact CG2-CG2 3.78Å; E193-V196 WeakPolarHBondContact O-CA 3.44Å; E193-V196 WeakPolarHBondContact O-CB 3.47Å; E193-V196 PolarHBondContact O-N 3.44Å; V196-L198 VanDerWaalsContact C-N 3.35Å; V196-L198 PolarHBondContact O-N 2.95Å; V196-Y199 PolarHBondContact O-N 2.97Å; V196-Y200 WeakPolarHBondContact O-CB 3.47Å; V196-Y200 PolarHBondContact O-N 3.35Å; V196-V215 HydrophobicContact CG1-CG1 4.49Å; V196-I216 HydrophobicContact CG1-CD1 4.34Å; V196-L220 HydrophobicContact CG1-CB 4.16Å; V196-L220 HydrophobicContact CG2-CB 4.2Å; V196-L220 HydrophobicContact CG2-CD2 4.48Å; V196-K223 HydrophobicContact CG2-CB 4.38Å; V196-K223 HydrophobicContact CG2-CD 4.44Å; V196-L224 HydrophobicContact CB-CD2 3.97Å; V196-L224 HydrophobicContact CG1-CD1 4.37Å; V196-L224 HydrophobicContact CG1-CD2 3.88Å; V196-L224 HydrophobicContact CG1-CG 4.06Å
197	E	93.4	Very high	93.2	Very high	22 Å²	22	38.9 Å²	38.9	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-44.8	175.7	-61.5	-175.7	145	0	0	111.8	E193 Y199 Y200 M201 L224 K234	E193-E197 HydrophobicContact CG-CG 4.37Å; E193-E197 WeakPolarHBondContact O-CG 3.15Å; E193-E197 PolarHBondContact O-N 3.4Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 2.94Å; E197-Y200 PolarHBondContact O-N 3Å; E197-M201 WeakPolarHBondContact O-CB 3.49Å; E197-M201 PolarHBondContact O-N 3.19Å; E197-L224 HydrophobicContact CG-CD2 3.8Å; E197-K234 IonicContact OE1-NZ 3.53Å
198	L	94.8	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-40.6	176.1	-178	57.1	0	0	0	111.4	F150 V153 M154 I157 A194 V196 M201 I202 F590	F150-L198 HydrophobicContact CB-CD2 4.02Å; F150-L198 HydrophobicContact CD1-CD2 3.73Å; F150-L198 HydrophobicContact CG-CD2 4.32Å; V153-L198 HydrophobicContact CB-CD2 4.21Å; V153-L198 HydrophobicContact CG1-CD2 3.97Å; V153-L198 HydrophobicContact CG1-CG 4.23Å; M154-L198 HydrophobicContact CB-CD1 4.47Å; M154-L198 HydrophobicContact CB-CD2 4.5Å; M154-L198 HydrophobicContact SD-CD1 3.72Å; I157-L198 HydrophobicContact CD1-CD1 3.23Å; I157-L198 HydrophobicContact CD1-CG 4.36Å; A194-L198 VanDerWaalsContact O-CB 3.24Å; A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.38Å; V196-L198 VanDerWaalsContact C-N 3.35Å; V196-L198 PolarHBondContact O-N 2.95Å; L198-M201 HydrophobicContact CD1-CE 3.45Å; L198-M201 VanDerWaalsContact CD1-CE 3.45Å; L198-M201 PolarHBondContact O-N 3.29Å; L198-I202 HydrophobicContact CG-CD1 4.35Å; L198-I202 WeakPolarHBondContact O-CD1 3.45Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.39Å; L198-I202 VanDerWaalsContact O-N 3.09Å; L198-F590 HydrophobicContact CB-CB 4.41Å; L198-F590 HydrophobicContact CB-CD2 4Å; L198-F590 HydrophobicContact CD1-CB 4.23Å; L198-F590 HydrophobicContact CD2-CD2 3.76Å; L198-F590 HydrophobicContact CD2-CE2 4.01Å; L198-F590 HydrophobicContact CD2-CG 4.19Å; L198-F590 HydrophobicContact CG-CD2 4.39Å
199	Y	96.3	Very high	93.7	Very high	22 Å²	22	35.6 Å²	35.6	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-47.2	176.7	-170.5	-152.5	0	0	0	112.1	V181 V185 E195 V196 E197 M201 I202 L203 V215 L220	V181-Y199 HydrophobicContact CB-CD2 4.01Å; V181-Y199 HydrophobicContact CB-CE2 4.49Å; V181-Y199 HydrophobicContact CG1-CD1 4.27Å; V181-Y199 HydrophobicContact CG1-CD2 3.5Å; V181-Y199 VanDerWaalsContact CG1-CD2 3.5Å; V181-Y199 HydrophobicContact CG1-CE2 4.19Å; V181-Y199 HydrophobicContact CG1-CG 3.56Å; V185-Y199 HydrophobicContact CG2-CD1 4.26Å; V185-Y199 HydrophobicContact CG2-CE1 4.09Å; E195-Y199 WeakPolarHBondContact O-CB 3.44Å; E195-Y199 PolarHBondContact O-N 3.43Å; V196-Y199 PolarHBondContact O-N 2.97Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 2.94Å; Y199-M201 VanDerWaalsContact C-N 3.33Å; Y199-M201 PolarHBondContact O-N 2.94Å; Y199-I202 PolarHBondContact O-N 3.02Å; Y199-I202 VanDerWaalsContact O-N 3.17Å; Y199-L203 HydrophobicContact CD1-CD1 4.42Å; Y199-L203 HydrophobicContact CD2-CD1 4.11Å; Y199-L203 HydrophobicContact CD2-CG 4.1Å; Y199-L203 HydrophobicContact CE1-CD1 4.09Å; Y199-L203 HydrophobicContact CE2-CD1 3.75Å; Y199-L203 HydrophobicContact CE2-CD2 4Å; Y199-L203 HydrophobicContact CE2-CG 3.8Å; Y199-L203 HydrophobicContact CG-CD1 4.43Å; Y199-L203 PolarHBondContact O-N 3.15Å; Y199-V215 HydrophobicContact CD1-CG1 3.75Å; Y199-V215 HydrophobicContact CD1-CG2 3.96Å; Y199-V215 HydrophobicContact CE1-CB 4.42Å; Y199-V215 HydrophobicContact CE1-CG1 4.09Å; Y199-V215 HydrophobicContact CE1-CG2 3.42Å; Y199-V215 VanDerWaalsContact CE1-CG2 3.42Å; Y199-L220 HydrophobicContact CD1-CD1 4.33Å
200	Y	95.9	Very high	93.9	Very high	6 Å²	6	34.4 Å²	34.4	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-46.8	174.6	167.1	-96.3	0	0	0	111.7	V196 E197 I202 L203 E204 A212 I216 K234 M238	V196-Y200 WeakPolarHBondContact O-CB 3.47Å; V196-Y200 PolarHBondContact O-N 3.35Å; E197-Y200 PolarHBondContact O-N 3Å; Y200-I202 VanDerWaalsContact C-N 3.29Å; Y200-I202 PolarHBondContact O-N 3.4Å; Y200-L203 PolarHBondContact O-N 2.88Å; Y200-E204 WeakPolarHBondContact O-CB 3.37Å; Y200-E204 PolarHBondContact O-N 2.98Å; Y200-A212 HydrophobicContact CD2-CB 4.18Å; Y200-A212 HydrophobicContact CE2-CB 4.41Å; Y200-I216 HydrophobicContact CD2-CD1 3.78Å; Y200-I216 HydrophobicContact CD2-CG1 3.47Å; Y200-I216 VanDerWaalsContact CD2-CG1 3.47Å; Y200-I216 HydrophobicContact CE2-CG1 4.02Å; Y200-I216 HydrophobicContact CG-CD1 4.01Å; Y200-I216 HydrophobicContact CG-CG1 4.21Å; Y200-K234 HydrophobicContact CD1-CD 4.01Å; Y200-K234 HydrophobicContact CD1-CG 4.49Å; Y200-K234 HydrophobicContact CE1-CB 4.44Å; Y200-K234 HydrophobicContact CE1-CD 4.01Å; Y200-K234 HydrophobicContact CE1-CG 4Å; Y200-K234 HydrophobicContact CE2-CB 4.07Å; Y200-K234 HydrophobicContact CG-CD 4.4Å; Y200-M238 HydrophobicContact CE2-CE 3.96Å; Y200-M238 HydrophobicContact CE2-CG 3.79Å; Y200-M238 HydrophobicContact CE2-SD 3.82Å; Y200-M238 WeakPolarHBondContact OH-CE 3.46Å
201	M	95.1	Very high	94.1	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-37.8	177.7	178.3	172.8	56.2	0	0	112.4	M154 I157 E197 L198 Y199 R205 P594	M154-M201 HydrophobicContact CE-CE 4.03Å; M154-M201 HydrophobicContact SD-CE 3.68Å; I157-M201 HydrophobicContact CD1-CE 3.76Å; I157-M201 HydrophobicContact CG2-CE 4.4Å; E197-M201 WeakPolarHBondContact O-CB 3.49Å; E197-M201 PolarHBondContact O-N 3.19Å; L198-M201 HydrophobicContact CD1-CE 3.45Å; L198-M201 VanDerWaalsContact CD1-CE 3.45Å; L198-M201 PolarHBondContact O-N 3.29Å; Y199-M201 VanDerWaalsContact C-N 3.33Å; Y199-M201 PolarHBondContact O-N 2.94Å; M201-R205 WeakPolarHBondContact O-CB 3.31Å; M201-R205 VanDerWaalsContact O-CG 3.32Å; M201-R205 WeakPolarHBondContact O-CG 3.44Å; M201-R205 PolarHBondContact O-N 2.9Å; M201-P594 HydrophobicContact SD-CG 4.13Å
202	I	95.9	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-50.5	176.7	-67.8	161.1	0	0	0	110.7	V153 I157 A177 E178 V181 L198 Y199 Y200 E204 R205 L206	V153-I202 HydrophobicContact CG1-CD1 3.62Å; I157-I202 HydrophobicContact CD1-CD1 3.93Å; I157-I202 HydrophobicContact CD1-CG1 3.38Å; I157-I202 HydrophobicContact CG1-CG1 3.99Å; A177-I202 HydrophobicContact CB-CD1 4Å; A177-I202 HydrophobicContact CB-CG1 4.29Å; A177-I202 HydrophobicContact CB-CG2 4.39Å; E178-I202 HydrophobicContact CB-CG2 3.83Å; V181-I202 HydrophobicContact CG2-CD1 3.63Å; L198-I202 HydrophobicContact CG-CD1 4.35Å; L198-I202 WeakPolarHBondContact O-CD1 3.45Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.39Å; L198-I202 VanDerWaalsContact O-N 3.09Å; Y199-I202 PolarHBondContact O-N 3.02Å; Y199-I202 VanDerWaalsContact O-N 3.17Å; Y200-I202 VanDerWaalsContact C-N 3.29Å; Y200-I202 PolarHBondContact O-N 3.4Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 3.19Å; I202-R205 PolarHBondContact O-N 3.19Å; I202-L206 HydrophobicContact CG2-CD1 3.91Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.01Å
203	L	96.4	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-178.7	-67.4	172.7	0	0	0	111.5	E178 Y199 Y200 R205 L206 G207 K208 E211 A212 V215	E178-L203 HydrophobicContact CG-CD2 4.46Å; E178-L203 WeakPolarHBondContact OE1-CD2 3.47Å; Y199-L203 HydrophobicContact CD1-CD1 4.42Å; Y199-L203 HydrophobicContact CD2-CD1 4.11Å; Y199-L203 HydrophobicContact CD2-CG 4.1Å; Y199-L203 HydrophobicContact CE1-CD1 4.09Å; Y199-L203 HydrophobicContact CE2-CD1 3.75Å; Y199-L203 HydrophobicContact CE2-CD2 4Å; Y199-L203 HydrophobicContact CE2-CG 3.8Å; Y199-L203 HydrophobicContact CG-CD1 4.43Å; Y199-L203 PolarHBondContact O-N 3.15Å; Y200-L203 PolarHBondContact O-N 2.88Å; L203-R205 PolarHBondContact O-N 2.88Å; L203-L206 PolarHBondContact O-N 3Å; L203-G207 PolarHBondContact O-N 3.48Å; L203-K208 HydrophobicContact CD2-CB 4.37Å; L203-K208 PolarHBondContact O-N 3.5Å; L203-E211 HydrophobicContact CD1-CB 4.49Å; L203-E211 HydrophobicContact CD2-CB 4.38Å; L203-A212 HydrophobicContact CB-CB 3.66Å; L203-A212 HydrophobicContact CD1-CB 4.3Å; L203-V215 HydrophobicContact CD1-CB 4.44Å; L203-V215 HydrophobicContact CD1-CG2 3.8Å
204	E	95.1	Very high	95.3	Very high	43 Å²	43	32 Å²	32	20%	0.201	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-45.1	174.6	-179.2	-179.4	-146.1	0	0	111.7	Y200 I202 L206 G207 Y209 M238 K241	Y200-E204 WeakPolarHBondContact O-CB 3.37Å; Y200-E204 PolarHBondContact O-N 2.98Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 3.19Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.47Å; E204-G207 PolarHBondContact O-N 2.83Å; E204-G207 VanDerWaalsContact O-N 3.14Å; E204-Y209 HydrophobicContact CG-CE1 4.4Å; E204-Y209 VanDerWaalsContact O-CE1 3.26Å; E204-Y209 WeakPolarHBondContact O-CE1 3.49Å; E204-M238 HydrophobicContact CG-CE 4.01Å; E204-K241 VanDerWaalsContact CD-NZ 3.33Å; E204-K241 VanDerWaalsContact CG-NZ 3.34Å; E204-K241 IonicContact OE1-NZ 2.72Å; E204-K241 PolarHBondContact OE1-NZ 3.02Å
205	R	91.4	Very high	95.5	Very high	99 Å²	99	32.1 Å²	32.1	37%	0.374	16%	0.155	S	C	.	.	H	α-helix	trans	-69.5	-29.5	178.7	-77.1	-176.9	172.5	-91.5	-1.5	113.5	L174 M201 I202 L203 G207	L174-R205 HydrophobicContact CD1-CB 3.9Å; L174-R205 HydrophobicContact CD2-CB 4.16Å; M201-R205 WeakPolarHBondContact O-CB 3.31Å; M201-R205 VanDerWaalsContact O-CG 3.32Å; M201-R205 WeakPolarHBondContact O-CG 3.44Å; M201-R205 PolarHBondContact O-N 2.9Å; I202-R205 PolarHBondContact O-N 3.19Å; L203-R205 PolarHBondContact O-N 2.88Å; R205-G207 PolarHBondContact O-N 2.91Å
206	L	93.1	Very high	95.5	Very high	33 Å²	33	31.6 Å²	31.6	17%	0.173	15%	0.153	C	C	.	.	H	α-helix	trans	-72.7	-11.7	172.5	-77.3	169.2	0	0	0	113.2	L174 P175 E178 I202 L203 E204 K208	L174-L206 HydrophobicContact CB-CD1 4.43Å; L174-L206 HydrophobicContact CB-CD2 3.36Å; L174-L206 HydrophobicContact CB-CG 3.75Å; L174-L206 HydrophobicContact CD1-CD2 4.31Å; L174-L206 HydrophobicContact CG-CD2 4.48Å; P175-L206 HydrophobicContact CG-CD2 3.92Å; E178-L206 HydrophobicContact CB-CD1 3.78Å; E178-L206 HydrophobicContact CG-CD1 4.23Å; I202-L206 HydrophobicContact CG2-CD1 3.91Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.01Å; L203-L206 PolarHBondContact O-N 3Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.47Å; L206-K208 VanDerWaalsContact C-N 3.26Å; L206-K208 HydrophobicContact CB-CG 3.96Å
207	G	93.6	Very high	95.5	Very high	33 Å²	33	34.7 Å²	34.7	34%	0.34	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	10	-173.4	0	0	0	0	0	113.7	L203 E204 R205 Y209	L203-G207 PolarHBondContact O-N 3.48Å; E204-G207 PolarHBondContact O-N 2.83Å; E204-G207 VanDerWaalsContact O-N 3.14Å; R205-G207 PolarHBondContact O-N 2.91Å; G207-Y209 WeakPolarHBondContact O-CD2 3.44Å; G207-Y209 PolarHBondContact O-N 3.45Å
208	K	96.4	Very high	95.4	Very high	66 Å²	66	35.2 Å²	35.2	29%	0.287	18%	0.175	S	C	.	.			trans	-85.2	58.9	178.6	-57.2	-163.2	-164.5	173.9	0	110.8	E178 L203 L206 Q210 E211 A212	E178-K208 WeakPolarHBondContact OE1-CD 3.48Å; E178-K208 WeakPolarHBondContact OE1-CE 3.38Å; E178-K208 IonicContact OE1-NZ 2.7Å; E178-K208 PolarHBondContact OE1-NZ 3.24Å; E178-K208 IonicContact OE2-NZ 3.94Å; E178-K208 PolarHBondContact OE2-NZ 3.05Å; L203-K208 HydrophobicContact CD2-CB 4.37Å; L203-K208 PolarHBondContact O-N 3.5Å; L206-K208 VanDerWaalsContact C-N 3.26Å; L206-K208 HydrophobicContact CB-CG 3.96Å; K208-Q210 VanDerWaalsContact C-N 3.27Å; K208-Q210 PolarHBondContact O-N 3.38Å; K208-E211 HydrophobicContact CB-CB 4.31Å; K208-E211 WeakPolarHBondContact CD-OE2 3.42Å; K208-E211 IonicContact NZ-OE2 3.44Å; K208-E211 PolarHBondContact O-N 3.29Å; K208-A212 PolarHBondContact O-N 3.23Å
209	Y	97.6	Very high	95.3	Very high	73 Å²	73	42.5 Å²	42.5	29%	0.286	21%	0.207	S	C	.	.	H	α-helix	trans	-63.4	-31.7	-170.5	-51.5	-52.6	0	0	0	113.2	E204 G207 L213 M238 K241	E204-Y209 HydrophobicContact CG-CE1 4.4Å; E204-Y209 VanDerWaalsContact O-CE1 3.26Å; E204-Y209 WeakPolarHBondContact O-CE1 3.49Å; G207-Y209 WeakPolarHBondContact O-CD2 3.44Å; G207-Y209 PolarHBondContact O-N 3.45Å; Y209-L213 WeakPolarHBondContact O-CB 3.38Å; Y209-L213 PolarHBondContact O-N 3.16Å; Y209-M238 HydrophobicContact CD1-SD 4.13Å; Y209-K241 HydrophobicContact CD1-CB 4.18Å; Y209-K241 HydrophobicContact CD1-CD 3.76Å; Y209-K241 HydrophobicContact CD2-CB 3.96Å; Y209-K241 HydrophobicContact CE1-CB 4.42Å; Y209-K241 HydrophobicContact CE1-CD 3.48Å; Y209-K241 VanDerWaalsContact CE1-CD 3.48Å; Y209-K241 HydrophobicContact CE2-CB 4.2Å; Y209-K241 HydrophobicContact CE2-CD 4.49Å; Y209-K241 HydrophobicContact CG-CB 3.96Å; Y209-K241 HydrophobicContact CG-CD 4.39Å
210	Q	97.6	Very high	95.1	Very high	58 Å²	58	43 Å²	43	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-48.6	176.5	178.3	53.1	44.2	0	0	111.4	K208 A212 L213 D214 L242 R244	K208-Q210 VanDerWaalsContact C-N 3.27Å; K208-Q210 PolarHBondContact O-N 3.38Å; Q210-A212 VanDerWaalsContact C-N 3.32Å; Q210-A212 PolarHBondContact O-N 2.83Å; Q210-L213 WeakPolarHBondContact O-CB 3.46Å; Q210-L213 PolarHBondContact O-N 2.94Å; Q210-D214 PolarHBondContact NE2-OD1 2.96Å; Q210-D214 PolarHBondContact NE2-OD2 3.29Å; Q210-D214 VanDerWaalsContact O-CG 3.27Å; Q210-D214 PolarHBondContact O-N 3.08Å; Q210-L242 HydrophobicContact CB-CD2 4.34Å; Q210-R244 VanDerWaalsContact OE1-NH1 3.08Å
211	E	96.8	Very high	94.9	Very high	88 Å²	88	42.8 Å²	42.8	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-65.8	-38.9	179.2	-64.7	159.7	-149.7	0	0	110.8	L203 K208 L213 D214 V215	L203-E211 HydrophobicContact CD1-CB 4.49Å; L203-E211 HydrophobicContact CD2-CB 4.38Å; K208-E211 HydrophobicContact CB-CB 4.31Å; K208-E211 WeakPolarHBondContact CD-OE2 3.42Å; K208-E211 IonicContact NZ-OE2 3.44Å; K208-E211 PolarHBondContact O-N 3.29Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 PolarHBondContact O-N 2.98Å; E211-D214 PolarHBondContact O-N 3.15Å; E211-V215 WeakPolarHBondContact O-CG2 3.34Å; E211-V215 PolarHBondContact O-N 2.78Å
212	A	97.1	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-46.1	173.2	0	0	0	0	0	111.7	Y200 L203 K208 Q210 D214 V215 I216 M238	Y200-A212 HydrophobicContact CD2-CB 4.18Å; Y200-A212 HydrophobicContact CE2-CB 4.41Å; L203-A212 HydrophobicContact CB-CB 3.66Å; L203-A212 HydrophobicContact CD1-CB 4.3Å; K208-A212 PolarHBondContact O-N 3.23Å; Q210-A212 VanDerWaalsContact C-N 3.32Å; Q210-A212 PolarHBondContact O-N 2.83Å; A212-D214 VanDerWaalsContact C-N 3.34Å; A212-D214 PolarHBondContact O-N 3.36Å; A212-V215 PolarHBondContact O-N 3.41Å; A212-I216 WeakPolarHBondContact O-CG1 3.28Å; A212-I216 PolarHBondContact O-N 2.9Å; A212-M238 HydrophobicContact CB-CG 4.29Å; A212-M238 HydrophobicContact CB-SD 3.65Å
213	L	97.1	Very high	94.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-43.7	176.4	176.9	63.8	0	0	0	111.6	Y209 Q210 E211 V215 I216 R217 C235 M238 Y239 L242	Y209-L213 WeakPolarHBondContact O-CB 3.38Å; Y209-L213 PolarHBondContact O-N 3.16Å; Q210-L213 WeakPolarHBondContact O-CB 3.46Å; Q210-L213 PolarHBondContact O-N 2.94Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 PolarHBondContact O-N 2.98Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.29Å; L213-I216 PolarHBondContact O-N 3.41Å; L213-R217 HydrophobicContact CD1-CG 3.95Å; L213-R217 HydrophobicContact CG-CG 4.39Å; L213-R217 WeakPolarHBondContact O-CB 3.28Å; L213-R217 PolarHBondContact O-N 3.37Å; L213-C235 HydrophobicContact CD1-CB 4.22Å; L213-M238 HydrophobicContact CB-CB 3.93Å; L213-M238 HydrophobicContact CB-CG 4.24Å; L213-M238 HydrophobicContact CD1-CB 4.14Å; L213-Y239 HydrophobicContact CD1-CD1 4.41Å; L213-Y239 HydrophobicContact CD1-CE1 3.99Å; L213-Y239 HydrophobicContact CD1-CE2 4.33Å; L213-Y239 HydrophobicContact CD2-CD1 3.83Å; L213-Y239 HydrophobicContact CD2-CE1 3.43Å; L213-Y239 VanDerWaalsContact CD2-CE1 3.43Å; L213-Y239 HydrophobicContact CG-CE1 4.34Å; L213-L242 HydrophobicContact CD2-CD1 3.98Å
214	D	96.3	Very high	94.1	Very high	86 Å²	86	53.3 Å²	53.3	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-35.4	-179	-66.5	-25.7	0	0	0	111.9	Q210 E211 A212 G218	Q210-D214 PolarHBondContact NE2-OD1 2.96Å; Q210-D214 PolarHBondContact NE2-OD2 3.29Å; Q210-D214 VanDerWaalsContact O-CG 3.27Å; Q210-D214 PolarHBondContact O-N 3.08Å; E211-D214 PolarHBondContact O-N 3.15Å; A212-D214 VanDerWaalsContact C-N 3.34Å; A212-D214 PolarHBondContact O-N 3.36Å; D214-G218 WeakPolarHBondContact O-CA 3.41Å; D214-G218 PolarHBondContact O-N 3.3Å
215	V	95.5	Very high	93.6	Very high	20 Å²	20	56.5 Å²	56.5	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-46	173.6	167.7	0	0	0	0	111.7	V196 Y199 L203 E211 A212 L213 L220 G221	V196-V215 HydrophobicContact CG1-CG1 4.49Å; Y199-V215 HydrophobicContact CD1-CG1 3.75Å; Y199-V215 HydrophobicContact CD1-CG2 3.96Å; Y199-V215 HydrophobicContact CE1-CB 4.42Å; Y199-V215 HydrophobicContact CE1-CG1 4.09Å; Y199-V215 HydrophobicContact CE1-CG2 3.42Å; Y199-V215 VanDerWaalsContact CE1-CG2 3.42Å; L203-V215 HydrophobicContact CD1-CB 4.44Å; L203-V215 HydrophobicContact CD1-CG2 3.8Å; E211-V215 WeakPolarHBondContact O-CG2 3.34Å; E211-V215 PolarHBondContact O-N 2.78Å; A212-V215 PolarHBondContact O-N 3.41Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.29Å; V215-L220 HydrophobicContact CG1-CB 4.27Å; V215-L220 HydrophobicContact CG1-CD1 4.16Å; V215-G221 PolarHBondContact O-N 3.31Å
216	I	95.8	Very high	93.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-73	-35.1	-179.7	-59.9	-48.4	0	0	0	111.7	V196 Y200 A212 L213 G221 L224 R231 K234	V196-I216 HydrophobicContact CG1-CD1 4.34Å; Y200-I216 HydrophobicContact CD2-CD1 3.78Å; Y200-I216 HydrophobicContact CD2-CG1 3.47Å; Y200-I216 VanDerWaalsContact CD2-CG1 3.47Å; Y200-I216 HydrophobicContact CE2-CG1 4.02Å; Y200-I216 HydrophobicContact CG-CD1 4.01Å; Y200-I216 HydrophobicContact CG-CG1 4.21Å; A212-I216 WeakPolarHBondContact O-CG1 3.28Å; A212-I216 PolarHBondContact O-N 2.9Å; L213-I216 PolarHBondContact O-N 3.41Å; I216-G221 WeakPolarHBondContact O-CA 3.45Å; I216-L224 HydrophobicContact CD1-CD1 3.6Å; I216-L224 HydrophobicContact CG2-CD1 4.36Å; I216-R231 HydrophobicContact CG2-CG 3.75Å; I216-R231 PolarHBondContact O-NE 3.32Å; I216-K234 HydrophobicContact CG1-CB 4.38Å; I216-K234 HydrophobicContact CG2-CB 4.2Å
217	R	94.5	Very high	92.9	Very high	67 Å²	67	59.7 Å²	59.7	25%	0.253	31%	0.31	S	S	.	.	H	α-helix	trans	-75.8	-30.3	176.3	-75.2	-172	75	86.5	-2.7	112.7	L213 R231 Y239 L291 E292	L213-R217 HydrophobicContact CD1-CG 3.95Å; L213-R217 HydrophobicContact CG-CG 4.39Å; L213-R217 WeakPolarHBondContact O-CB 3.28Å; L213-R217 PolarHBondContact O-N 3.37Å; R217-R231 PolarHBondContact O-NH2 2.89Å; R217-Y239 WeakPolarHBondContact CD-OH 3.5Å; R217-Y239 PolarHBondContact NH1-OH 2.92Å; R217-L291 PolarHBondContact NH2-O 3.18Å; R217-E292 IonicContact CZ-OE1 3.98Å; R217-E292 IonicContact NH1-OE1 2.88Å; R217-E292 PolarHBondContact NH1-OE1 3.25Å
218	G	92.2	Very high	92.5	Very high	32 Å²	32	65.2 Å²	65.2	33%	0.33	33%	0.33	S	S	.	.	S	Bend	trans	-76.9	-166.2	-179.4	0	0	0	0	0	114.2	D214 L220 G221	D214-G218 WeakPolarHBondContact O-CA 3.41Å; D214-G218 PolarHBondContact O-N 3.3Å; G218-L220 VanDerWaalsContact C-N 3.28Å; G218-L220 PolarHBondContact O-N 3.37Å; G218-G221 PolarHBondContact O-N 2.9Å; G218-G221 VanDerWaalsContact O-N 3.12Å
219	K	91.1	Very high	92.2	Very high	154 Å²	154	63.7 Å²	63.7	67%	0.67	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58.9	-33.7	-175.6	-170.4	-176	178.4	-167.8	0	113.7	G221 E222	K219-G221 VanDerWaalsContact C-N 3.3Å; K219-G221 PolarHBondContact O-N 3.46Å; K219-E222 WeakPolarHBondContact O-CB 3.19Å; K219-E222 PolarHBondContact O-N 3.24Å
220	L	92.6	Very high	91.9	Very high	33 Å²	33	60.4 Å²	60.4	17%	0.173	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-66.7	-33.7	179.2	-70.1	-180	0	0	0	111.8	V185 I190 V196 Y199 V215 G218 E222 K223	V185-L220 HydrophobicContact CG1-CD1 4.31Å; V185-L220 HydrophobicContact CG2-CD1 4.28Å; I190-L220 HydrophobicContact CB-CD2 4.23Å; I190-L220 HydrophobicContact CG2-CD2 4Å; V196-L220 HydrophobicContact CG1-CB 4.16Å; V196-L220 HydrophobicContact CG2-CB 4.2Å; V196-L220 HydrophobicContact CG2-CD2 4.48Å; Y199-L220 HydrophobicContact CD1-CD1 4.33Å; V215-L220 HydrophobicContact CG1-CB 4.27Å; V215-L220 HydrophobicContact CG1-CD1 4.16Å; G218-L220 VanDerWaalsContact C-N 3.28Å; G218-L220 PolarHBondContact O-N 3.37Å; L220-E222 PolarHBondContact O-N 3.4Å; L220-K223 WeakPolarHBondContact O-CB 3.28Å; L220-K223 PolarHBondContact O-N 3.42Å; L220-K223 VanDerWaalsContact O-N 3.14Å
221	G	91.7	Very high	91.7	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.01	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.4	-19.1	176.1	0	0	0	0	0	114.8	V215 I216 G218 K219 K223 L224	V215-G221 PolarHBondContact O-N 3.31Å; I216-G221 WeakPolarHBondContact O-CA 3.45Å; G218-G221 PolarHBondContact O-N 2.9Å; G218-G221 VanDerWaalsContact O-N 3.12Å; K219-G221 VanDerWaalsContact C-N 3.3Å; K219-G221 PolarHBondContact O-N 3.46Å; G221-K223 PolarHBondContact O-N 3.05Å; G221-L224 WeakPolarHBondContact O-CB 3.38Å; G221-L224 PolarHBondContact O-N 2.94Å; G221-L224 VanDerWaalsContact O-N 3.08Å
222	E	90.1	Very high	91.5	Very high	140 Å²	140	58.8 Å²	58.8	65%	0.654	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.9	172.4	-62.1	174.4	-178.7	0	0	112.2	K219 L220 T225	K219-E222 WeakPolarHBondContact O-CB 3.19Å; K219-E222 PolarHBondContact O-N 3.24Å; L220-E222 PolarHBondContact O-N 3.4Å; E222-T225 VanDerWaalsContact O-CG2 3.29Å; E222-T225 WeakPolarHBondContact O-CG2 3.4Å
223	K	90.1	Very high	91.4	Very high	81 Å²	81	61.5 Å²	61.5	35%	0.352	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-80	-16.5	174.8	-61.8	-173.6	168	-140.6	0	113.2	I190 E191 V196 L220 G221 T225	I190-K223 PolarHBondContact O-NZ 3.05Å; E191-K223 PolarHBondContact O-NZ 2.87Å; V196-K223 HydrophobicContact CG2-CB 4.38Å; V196-K223 HydrophobicContact CG2-CD 4.44Å; L220-K223 WeakPolarHBondContact O-CB 3.28Å; L220-K223 PolarHBondContact O-N 3.42Å; L220-K223 VanDerWaalsContact O-N 3.14Å; G221-K223 PolarHBondContact O-N 3.05Å; K223-T225 PolarHBondContact O-N 3.45Å; K223-T225 VanDerWaalsContact O-N 3.08Å
224	L	90.3	Very high	91.3	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.058	32%	0.319	C	S	.	.			trans	-79.2	86.8	178	-62.3	-174.6	0	0	0	110.2	E193 V196 E197 I216 G221 K234	E193-L224 HydrophobicContact CG-CD2 3.69Å; E193-L224 WeakPolarHBondContact OE1-CA 3.42Å; V196-L224 HydrophobicContact CB-CD2 3.97Å; V196-L224 HydrophobicContact CG1-CD1 4.37Å; V196-L224 HydrophobicContact CG1-CD2 3.88Å; V196-L224 HydrophobicContact CG1-CG 4.06Å; E197-L224 HydrophobicContact CG-CD2 3.8Å; I216-L224 HydrophobicContact CD1-CD1 3.6Å; I216-L224 HydrophobicContact CG2-CD1 4.36Å; G221-L224 WeakPolarHBondContact O-CB 3.38Å; G221-L224 PolarHBondContact O-N 2.94Å; G221-L224 VanDerWaalsContact O-N 3.08Å; L224-K234 HydrophobicContact CD1-CD 4.1Å
225	T	84.4	Confident	91.3	Very high	110 Å²	110	58.1 Å²	58.1	68%	0.675	30%	0.297	S	S	*	.			trans	-129.1	-8.8	-170.2	57	0	0	0	0	114.1	E193 E222 K223	E193-T225 PolarHBondContact OE1-N 3.39Å; E222-T225 VanDerWaalsContact O-CG2 3.29Å; E222-T225 WeakPolarHBondContact O-CG2 3.4Å; K223-T225 PolarHBondContact O-N 3.45Å; K223-T225 VanDerWaalsContact O-N 3.08Å
226	S	83.4	Confident	91.4	Very high	95 Å²	95	57.6 Å²	57.6	66%	0.664	29%	0.293	S	S	*	.	S	Bend	trans	-72.8	-42.7	-175.4	177.1	0	0	0	0	112.7	E193	E193-S226 VanDerWaalsContact CD-CB 3.5Å; E193-S226 WeakPolarHBondContact OE1-CB 3.48Å; E193-S226 PolarHBondContact OE1-N 2.78Å; E193-S226 WeakPolarHBondContact OE2-CB 3.44Å; E193-S226 PolarHBondContact OE2-N 3.37Å
227	E	86.4	Confident	91.4	Very high	104 Å²	104	59.1 Å²	59.1	49%	0.486	31%	0.306	S	S	.	.	S	Bend	trans	-98	145.3	-179.4	-49.4	-175.4	161.1	0	0	113.2	Q229 S230	E227-Q229 PolarHBondContact O-N 3.02Å; E227-S230 PolarHBondContact O-N 3.29Å
228	I	86.8	Confident	91.5	Very high	150 Å²	150	56 Å²	56	77%	0.769	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	122.8	174.2	-56.4	173.4	0	0	0	108.7	S230	I228-S230 PolarHBondContact O-N 3.39Å; I228-S230 VanDerWaalsContact O-N 3.16Å
229	Q	89.3	Confident	91.8	Very high	33 Å²	33	54.4 Å²	54.4	15%	0.154	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	24.7	178.1	-64.4	164.6	-20.4	0	0	114.2	E227 R231 E232 N233 L255	E227-Q229 PolarHBondContact O-N 3.02Å; Q229-R231 VanDerWaalsContact C-N 3.27Å; Q229-R231 PolarHBondContact O-N 3.34Å; Q229-E232 WeakPolarHBondContact CA-OE2 3.44Å; Q229-E232 HydrophobicContact CB-CB 4.36Å; Q229-E232 PolarHBondContact O-N 2.76Å; Q229-N233 WeakPolarHBondContact O-CB 3.49Å; Q229-N233 PolarHBondContact O-N 2.93Å; Q229-N233 PolarHBondContact O-ND2 3.29Å; Q229-L255 HydrophobicContact CG-CD2 4.48Å
230	S	90.6	Very high	92.1	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-52	-48.5	177.7	-169.1	0	0	0	0	111.7	E227 I228 N233 K234	E227-S230 PolarHBondContact O-N 3.29Å; I228-S230 PolarHBondContact O-N 3.39Å; I228-S230 VanDerWaalsContact O-N 3.16Å; S230-N233 PolarHBondContact O-N 3.44Å; S230-K234 WeakPolarHBondContact O-CB 3.48Å; S230-K234 WeakPolarHBondContact O-CG 3.46Å; S230-K234 PolarHBondContact O-N 2.71Å
231	R	93.3	Very high	92.2	Very high	69 Å²	69	54.1 Å²	54.1	26%	0.26	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-50	179.6	-171.6	174.4	177.2	-93.4	10.1	111.6	I216 R217 Q229 K234 C235	I216-R231 HydrophobicContact CG2-CG 3.75Å; I216-R231 PolarHBondContact O-NE 3.32Å; R217-R231 PolarHBondContact O-NH2 2.89Å; Q229-R231 VanDerWaalsContact C-N 3.27Å; Q229-R231 PolarHBondContact O-N 3.34Å; R231-K234 PolarHBondContact O-N 3.06Å; R231-C235 WeakPolarHBondContact O-CB 3.22Å; R231-C235 PolarHBondContact O-N 3.22Å; R231-C235 PolarHBondContact O-SG 3.16Å
232	E	94.1	Very high	92.5	Very high	43 Å²	43	56.5 Å²	56.5	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-40.6	178.9	-72	91	164.3	0	0	113.2	Q229 C235 M236 L251 R254 L255	Q229-E232 WeakPolarHBondContact CA-OE2 3.44Å; Q229-E232 HydrophobicContact CB-CB 4.36Å; Q229-E232 PolarHBondContact O-N 2.76Å; E232-C235 PolarHBondContact O-N 3.33Å; E232-M236 WeakPolarHBondContact O-CB 3.41Å; E232-M236 PolarHBondContact O-N 3.5Å; E232-L251 HydrophobicContact CB-CD1 4.29Å; E232-L251 HydrophobicContact CG-CD1 3.97Å; E232-R254 IonicContact OE1-NH1 2.85Å; E232-R254 IonicContact OE1-NH2 2.75Å; E232-L255 HydrophobicContact CB-CD1 4.14Å; E232-L255 HydrophobicContact CB-CD2 4.41Å; E232-L255 HydrophobicContact CG-CD2 4.18Å
233	N	94.4	Very high	92.8	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-41.3	177.7	-74.2	-32.5	0	0	0	111.7	Q229 S230 M236 A237	Q229-N233 WeakPolarHBondContact O-CB 3.49Å; Q229-N233 PolarHBondContact O-N 2.93Å; Q229-N233 PolarHBondContact O-ND2 3.29Å; S230-N233 PolarHBondContact O-N 3.44Å; N233-M236 PolarHBondContact O-N 3.07Å; N233-A237 PolarHBondContact O-N 3.41Å
234	K	94.8	Very high	93.1	Very high	14 Å²	14	53 Å²	53	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-40.9	175.1	-70.5	-178.5	-179.5	-170.5	0	111.7	E197 Y200 I216 L224 S230 R231 A237 M238 E591	E197-K234 IonicContact OE1-NZ 3.53Å; Y200-K234 HydrophobicContact CD1-CD 4.01Å; Y200-K234 HydrophobicContact CD1-CG 4.49Å; Y200-K234 HydrophobicContact CE1-CB 4.44Å; Y200-K234 HydrophobicContact CE1-CD 4.01Å; Y200-K234 HydrophobicContact CE1-CG 4Å; Y200-K234 HydrophobicContact CE2-CB 4.07Å; Y200-K234 HydrophobicContact CG-CD 4.4Å; I216-K234 HydrophobicContact CG1-CB 4.38Å; I216-K234 HydrophobicContact CG2-CB 4.2Å; L224-K234 HydrophobicContact CD1-CD 4.1Å; S230-K234 WeakPolarHBondContact O-CB 3.48Å; S230-K234 WeakPolarHBondContact O-CG 3.46Å; S230-K234 PolarHBondContact O-N 2.71Å; R231-K234 PolarHBondContact O-N 3.06Å; K234-A237 PolarHBondContact O-N 3.48Å; K234-M238 WeakPolarHBondContact O-CG 3.41Å; K234-M238 PolarHBondContact O-N 3.38Å; K234-M238 VanDerWaalsContact O-N 3.17Å; K234-E591 IonicContact NZ-OE1 2.6Å; K234-E591 IonicContact NZ-OE2 3.76Å; K234-E591 PolarHBondContact NZ-OE2 3.14Å
235	C	96.1	Very high	93.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-47.6	170.8	-73.9	0	0	0	0	111.9	L213 R231 E232 A237 M238 Y239 L251	L213-C235 HydrophobicContact CD1-CB 4.22Å; R231-C235 WeakPolarHBondContact O-CB 3.22Å; R231-C235 PolarHBondContact O-N 3.22Å; R231-C235 PolarHBondContact O-SG 3.16Å; E232-C235 PolarHBondContact O-N 3.33Å; C235-A237 VanDerWaalsContact C-N 3.32Å; C235-A237 PolarHBondContact O-N 3.02Å; C235-M238 PolarHBondContact O-N 3.03Å; C235-M238 VanDerWaalsContact O-N 3.14Å; C235-Y239 HydrophobicContact CB-CD2 4.28Å; C235-Y239 HydrophobicContact CB-CE2 3.96Å; C235-Y239 WeakPolarHBondContact O-CD2 3.44Å; C235-Y239 PolarHBondContact O-N 3.36Å; C235-L251 HydrophobicContact CB-CD2 4.23Å
236	M	96.7	Very high	94.1	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-43.4	179.2	-174.8	64.8	75.1	0	0	111.8	E232 N233 M238 Y239 K240 C248 L251 S252 F265	E232-M236 WeakPolarHBondContact O-CB 3.41Å; E232-M236 PolarHBondContact O-N 3.5Å; N233-M236 PolarHBondContact O-N 3.07Å; M236-M238 VanDerWaalsContact C-N 3.35Å; M236-M238 PolarHBondContact O-N 2.9Å; M236-Y239 PolarHBondContact O-N 3.15Å; M236-K240 WeakPolarHBondContact O-CG 3.45Å; M236-K240 PolarHBondContact O-N 3.41Å; M236-C248 HydrophobicContact SD-CB 4.27Å; M236-L251 HydrophobicContact CB-CD2 4.11Å; M236-L251 HydrophobicContact CE-CB 3.91Å; M236-L251 HydrophobicContact CE-CD2 3.73Å; M236-L251 HydrophobicContact CE-CG 3.65Å; M236-L251 HydrophobicContact SD-CD2 4.48Å; M236-S252 WeakPolarHBondContact CE-OG 3.4Å; M236-F265 HydrophobicContact CE-CD1 4.33Å
237	A	96.4	Very high	94.8	Very high	33 Å²	33	46 Å²	46	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-43.3	175.9	0	0	0	0	0	112	N233 K234 C235 K241	N233-A237 PolarHBondContact O-N 3.41Å; K234-A237 PolarHBondContact O-N 3.48Å; C235-A237 VanDerWaalsContact C-N 3.32Å; C235-A237 PolarHBondContact O-N 3.02Å; A237-K241 WeakPolarHBondContact O-CG 3.36Å; A237-K241 PolarHBondContact O-N 3.2Å; A237-K241 VanDerWaalsContact O-N 3.14Å
238	M	97.6	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-42.3	177.8	-64.6	-54.6	88.1	0	0	112.5	Y200 E204 Y209 A212 L213 K234 C235 M236 K240 K241 L242	Y200-M238 HydrophobicContact CE2-CE 3.96Å; Y200-M238 HydrophobicContact CE2-CG 3.79Å; Y200-M238 HydrophobicContact CE2-SD 3.82Å; Y200-M238 WeakPolarHBondContact OH-CE 3.46Å; E204-M238 HydrophobicContact CG-CE 4.01Å; Y209-M238 HydrophobicContact CD1-SD 4.13Å; A212-M238 HydrophobicContact CB-CG 4.29Å; A212-M238 HydrophobicContact CB-SD 3.65Å; L213-M238 HydrophobicContact CB-CB 3.93Å; L213-M238 HydrophobicContact CB-CG 4.24Å; L213-M238 HydrophobicContact CD1-CB 4.14Å; K234-M238 WeakPolarHBondContact O-CG 3.41Å; K234-M238 PolarHBondContact O-N 3.38Å; K234-M238 VanDerWaalsContact O-N 3.17Å; C235-M238 PolarHBondContact O-N 3.03Å; C235-M238 VanDerWaalsContact O-N 3.14Å; M236-M238 VanDerWaalsContact C-N 3.35Å; M236-M238 PolarHBondContact O-N 2.9Å; M238-K240 VanDerWaalsContact C-N 3.3Å; M238-K240 PolarHBondContact O-N 3.19Å; M238-K241 HydrophobicContact CE-CD 4.02Å; M238-K241 PolarHBondContact O-N 3.35Å; M238-L242 WeakPolarHBondContact O-CB 3.49Å; M238-L242 WeakPolarHBondContact O-CG 3.45Å; M238-L242 PolarHBondContact O-N 3.48Å
239	Y	97.7	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-42.7	176.6	-70.6	-49.8	0	0	0	111.9	L213 R217 C235 M236 L242 S243 R244 E247 C248 L251 E292	L213-Y239 HydrophobicContact CD1-CD1 4.41Å; L213-Y239 HydrophobicContact CD1-CE1 3.99Å; L213-Y239 HydrophobicContact CD1-CE2 4.33Å; L213-Y239 HydrophobicContact CD2-CD1 3.83Å; L213-Y239 HydrophobicContact CD2-CE1 3.43Å; L213-Y239 VanDerWaalsContact CD2-CE1 3.43Å; L213-Y239 HydrophobicContact CG-CE1 4.34Å; R217-Y239 WeakPolarHBondContact CD-OH 3.5Å; R217-Y239 PolarHBondContact NH1-OH 2.92Å; C235-Y239 HydrophobicContact CB-CD2 4.28Å; C235-Y239 HydrophobicContact CB-CE2 3.96Å; C235-Y239 WeakPolarHBondContact O-CD2 3.44Å; C235-Y239 PolarHBondContact O-N 3.36Å; M236-Y239 PolarHBondContact O-N 3.15Å; Y239-L242 PolarHBondContact O-N 3.4Å; Y239-S243 PolarHBondContact O-N 3.36Å; Y239-S243 VanDerWaalsContact O-N 3.13Å; Y239-R244 HydrophobicContact CD1-CB 3.87Å; Y239-R244 PolarHBondContact O-N 2.86Å; Y239-E247 HydrophobicContact CD1-CB 3.57Å; Y239-E247 HydrophobicContact CD1-CG 4.18Å; Y239-E247 HydrophobicContact CD2-CB 4.05Å; Y239-E247 HydrophobicContact CE1-CB 3.38Å; Y239-E247 HydrophobicContact CE1-CG 3.64Å; Y239-E247 HydrophobicContact CE2-CB 3.9Å; Y239-E247 HydrophobicContact CG-CB 3.9Å; Y239-C248 VanDerWaalsContact C-SG 3.59Å; Y239-C248 WeakPolarHBondContact CB-SG 3.49Å; Y239-L251 HydrophobicContact CD2-CD2 4.22Å; Y239-L251 HydrophobicContact CE2-CD2 4.22Å; Y239-E292 HydrophobicContact CE2-CG 4.19Å
240	K	96.7	Very high	96.2	Very high	86 Å²	86	32.4 Å²	32.4	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-60.9	-46.4	173.9	-74.5	-177.2	174.4	-170.9	0	112.5	M236 M238 L242 S243	M236-K240 WeakPolarHBondContact O-CG 3.45Å; M236-K240 PolarHBondContact O-N 3.41Å; M238-K240 VanDerWaalsContact C-N 3.3Å; M238-K240 PolarHBondContact O-N 3.19Å; K240-L242 VanDerWaalsContact C-N 3.31Å; K240-L242 PolarHBondContact O-N 3.01Å; K240-S243 PolarHBondContact O-N 2.89Å; K240-S243 VanDerWaalsContact O-N 3.13Å
241	K	96.3	Very high	96.6	Very high	95 Å²	95	32.2 Å²	32.2	41%	0.413	16%	0.159	S	C	.	.	H	α-helix	trans	-66.9	-31.6	179.9	-71.7	-173.3	-178.2	178.2	0	113.2	E204 Y209 A237 M238 S243	E204-K241 VanDerWaalsContact CD-NZ 3.33Å; E204-K241 VanDerWaalsContact CG-NZ 3.34Å; E204-K241 IonicContact OE1-NZ 2.72Å; E204-K241 PolarHBondContact OE1-NZ 3.02Å; Y209-K241 HydrophobicContact CD1-CB 4.18Å; Y209-K241 HydrophobicContact CD1-CD 3.76Å; Y209-K241 HydrophobicContact CD2-CB 3.96Å; Y209-K241 HydrophobicContact CE1-CB 4.42Å; Y209-K241 HydrophobicContact CE1-CD 3.48Å; Y209-K241 VanDerWaalsContact CE1-CD 3.48Å; Y209-K241 HydrophobicContact CE2-CB 4.2Å; Y209-K241 HydrophobicContact CE2-CD 4.49Å; Y209-K241 HydrophobicContact CG-CB 3.96Å; Y209-K241 HydrophobicContact CG-CD 4.39Å; A237-K241 WeakPolarHBondContact O-CG 3.36Å; A237-K241 PolarHBondContact O-N 3.2Å; A237-K241 VanDerWaalsContact O-N 3.14Å; M238-K241 HydrophobicContact CE-CD 4.02Å; M238-K241 PolarHBondContact O-N 3.35Å; K241-S243 VanDerWaalsContact C-N 3.27Å
242	L	97	Very high	96.8	Very high	51 Å²	51	29 Å²	29	27%	0.267	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.3	174.8	-71	169	0	0	0	113.5	Q210 L213 M238 Y239 K240 R244	Q210-L242 HydrophobicContact CB-CD2 4.34Å; L213-L242 HydrophobicContact CD2-CD1 3.98Å; M238-L242 WeakPolarHBondContact O-CB 3.49Å; M238-L242 WeakPolarHBondContact O-CG 3.45Å; M238-L242 PolarHBondContact O-N 3.48Å; Y239-L242 PolarHBondContact O-N 3.4Å; K240-L242 VanDerWaalsContact C-N 3.31Å; K240-L242 PolarHBondContact O-N 3.01Å; L242-R244 HydrophobicContact CB-CB 4.4Å; L242-R244 HydrophobicContact CB-CG 4Å; L242-R244 PolarHBondContact O-N 2.97Å
243	S	96.6	Very high	97	Very high	70 Å²	70	29.9 Å²	29.9	49%	0.49	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	35	-170.2	-53.4	0	0	0	0	112.8	Y239 K240 K241 W245	Y239-S243 PolarHBondContact O-N 3.36Å; Y239-S243 VanDerWaalsContact O-N 3.13Å; K240-S243 PolarHBondContact O-N 2.89Å; K240-S243 VanDerWaalsContact O-N 3.13Å; K241-S243 VanDerWaalsContact C-N 3.27Å; S243-W245 VanDerWaalsContact C-N 3.32Å; S243-W245 PolarHBondContact O-N 3.49Å; S243-W245 VanDerWaalsContact O-N 3.16Å
244	R	96.8	Very high	97.1	Very high	77 Å²	77	31.3 Å²	31.3	29%	0.291	15%	0.149	S	C	.	.			trans	-86.6	74.7	174.5	-81.1	-169.8	-178.4	178.8	3.9	109.7	Q210 Y239 L242 P246 E247 C248	Q210-R244 VanDerWaalsContact OE1-NH1 3.08Å; Y239-R244 HydrophobicContact CD1-CB 3.87Å; Y239-R244 PolarHBondContact O-N 2.86Å; L242-R244 HydrophobicContact CB-CB 4.4Å; L242-R244 HydrophobicContact CB-CG 4Å; L242-R244 PolarHBondContact O-N 2.97Å; R244-P246 VanDerWaalsContact C-CD 3.49Å; R244-E247 WeakPolarHBondContact CB-OE2 3.46Å; R244-C248 PolarHBondContact O-N 3.3Å; R244-C248 VanDerWaalsContact O-N 3.15Å; R244-C248 PolarHBondContact O-SG 3.33Å
245	W	97.5	Very high	97.1	Very high	26 Å²	26	30.7 Å²	30.7	10%	0.098	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-36.5	-175.6	-55.1	116.2	0	0	0	115	S243 E247 C248 N249 R275 L276 E279	S243-W245 VanDerWaalsContact C-N 3.32Å; S243-W245 PolarHBondContact O-N 3.49Å; S243-W245 VanDerWaalsContact O-N 3.16Å; W245-E247 PolarHBondContact O-N 2.97Å; W245-C248 WeakPolarHBondContact O-CB 3.18Å; W245-C248 PolarHBondContact O-N 2.8Å; W245-N249 WeakPolarHBondContact O-CB 3.43Å; W245-N249 PolarHBondContact O-N 3.5Å; W245-R275 HydrophobicContact CB-CB 4.36Å; W245-R275 HydrophobicContact CD2-CB 3.82Å; W245-R275 HydrophobicContact CD2-CG 3.96Å; W245-R275 HydrophobicContact CE3-CB 4.41Å; W245-R275 HydrophobicContact CE3-CG 4.29Å; W245-R275 HydrophobicContact CG-CB 3.77Å; W245-R275 HydrophobicContact CG-CG 4.42Å; W245-R275 HydrophobicContact CH2-CG 4.39Å; W245-R275 HydrophobicContact CZ2-CG 4.06Å; W245-R275 HydrophobicContact CZ3-CG 4.49Å; W245-L276 HydrophobicContact CB-CD2 3.83Å; W245-L276 HydrophobicContact CB-CG 3.99Å; W245-E279 PolarHBondContact NE1-OE1 3.04Å
246	P	97.6	Very high	97.2	Very high	17 Å²	17	30.6 Å²	30.6	11%	0.11	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-48.2	177.4	-22.1	31.8	0	0	0	111.9	R244 N249 A250 L276 W281 V295	R244-P246 VanDerWaalsContact C-CD 3.49Å; P246-N249 WeakPolarHBondContact O-CB 3.09Å; P246-N249 PolarHBondContact O-N 3.48Å; P246-A250 PolarHBondContact O-N 3.05Å; P246-L276 HydrophobicContact CB-CD2 4.4Å; P246-L276 HydrophobicContact CG-CD2 3.69Å; P246-W281 HydrophobicContact CB-CZ2 4.14Å; P246-W281 HydrophobicContact CG-CD2 4.42Å; P246-W281 HydrophobicContact CG-CG 4.5Å; P246-W281 HydrophobicContact CG-CZ2 4.24Å; P246-V295 HydrophobicContact CB-CG1 4.13Å; P246-V295 HydrophobicContact CB-CG2 3.89Å; P246-V295 WeakPolarHBondContact O-CG2 3.49Å
247	E	97.4	Very high	97.1	Very high	26 Å²	26	33.8 Å²	33.8	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-39.1	178.7	-64.3	87.3	157.5	0	0	112.3	Y239 R244 W245 N249 L251 L291 E292	Y239-E247 HydrophobicContact CD1-CB 3.57Å; Y239-E247 HydrophobicContact CD1-CG 4.18Å; Y239-E247 HydrophobicContact CD2-CB 4.05Å; Y239-E247 HydrophobicContact CE1-CB 3.38Å; Y239-E247 HydrophobicContact CE1-CG 3.64Å; Y239-E247 HydrophobicContact CE2-CB 3.9Å; Y239-E247 HydrophobicContact CG-CB 3.9Å; R244-E247 WeakPolarHBondContact CB-OE2 3.46Å; W245-E247 PolarHBondContact O-N 2.97Å; E247-N249 VanDerWaalsContact C-N 3.27Å; E247-N249 PolarHBondContact O-N 3.12Å; E247-L251 WeakPolarHBondContact O-CB 3.29Å; E247-L251 PolarHBondContact O-N 3.5Å; E247-L291 HydrophobicContact CG-CB 4.05Å; E247-L291 HydrophobicContact CG-CD1 4.42Å; E247-L291 HydrophobicContact CG-CG 4.4Å; E247-E292 HydrophobicContact CB-CG 4.45Å
248	C	97.4	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-54.8	-46	170.2	-83.6	0	0	0	0	111.4	M236 Y239 R244 W245 S252	M236-C248 HydrophobicContact SD-CB 4.27Å; Y239-C248 VanDerWaalsContact C-SG 3.59Å; Y239-C248 WeakPolarHBondContact CB-SG 3.49Å; R244-C248 PolarHBondContact O-N 3.3Å; R244-C248 VanDerWaalsContact O-N 3.15Å; R244-C248 PolarHBondContact O-SG 3.33Å; W245-C248 WeakPolarHBondContact O-CB 3.18Å; W245-C248 PolarHBondContact O-N 2.8Å; C248-S252 WeakPolarHBondContact O-CB 3.24Å; C248-S252 PolarHBondContact O-N 2.89Å; C248-S252 PolarHBondContact O-OG 3.46Å
249	N	98.4	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-53.4	-177	-177.2	-97.2	0	0	0	111.7	W245 P246 E247 L251 S252 R253 Y269 S272 V273 L276 V295 H296	W245-N249 WeakPolarHBondContact O-CB 3.43Å; W245-N249 PolarHBondContact O-N 3.5Å; P246-N249 WeakPolarHBondContact O-CB 3.09Å; P246-N249 PolarHBondContact O-N 3.48Å; E247-N249 VanDerWaalsContact C-N 3.27Å; E247-N249 PolarHBondContact O-N 3.12Å; N249-L251 VanDerWaalsContact C-N 3.31Å; N249-L251 PolarHBondContact O-N 2.9Å; N249-S252 PolarHBondContact O-N 3.43Å; N249-R253 WeakPolarHBondContact O-CB 3.4Å; N249-R253 PolarHBondContact O-N 2.98Å; N249-Y269 WeakPolarHBondContact ND2-CD2 3.15Å; N249-Y269 WeakPolarHBondContact ND2-CE2 3.43Å; N249-S272 VanDerWaalsContact CA-OG 3.24Å; N249-S272 WeakPolarHBondContact CA-OG 3.36Å; N249-S272 VanDerWaalsContact CB-OG 3.27Å; N249-S272 WeakPolarHBondContact CB-OG 3.28Å; N249-S272 PolarHBondContact ND2-OG 2.99Å; N249-S272 VanDerWaalsContact ND2-OG 3.1Å; N249-V273 WeakPolarHBondContact ND2-CG2 3.25Å; N249-L276 HydrophobicContact CB-CD1 3.96Å; N249-V295 HydrophobicContact CB-CG1 4.17Å; N249-H296 PolarHBondContact OD1-N 3.49Å; N249-H296 PolarHBondContact OD1-O 3.46Å
250	A	97.9	Very high	96.6	Very high	1 Å²	1	44 Å²	44	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-42.4	179.9	0	0	0	0	0	111.7	P246 R253 R254 S290 E292 E294 V295	P246-A250 PolarHBondContact O-N 3.05Å; A250-R253 PolarHBondContact O-N 3.32Å; A250-R254 VanDerWaalsContact O-CB 3.29Å; A250-R254 WeakPolarHBondContact O-CB 3.41Å; A250-R254 PolarHBondContact O-N 2.85Å; A250-S290 VanDerWaalsContact CB-OG 3.31Å; A250-S290 WeakPolarHBondContact CB-OG 3.39Å; A250-E292 HydrophobicContact CB-CB 3.63Å; A250-E294 WeakPolarHBondContact CA-O 3.45Å; A250-E294 VanDerWaalsContact CB-O 3.27Å; A250-E294 WeakPolarHBondContact CB-O 3.35Å; A250-V295 HydrophobicContact CB-CG2 4Å
251	L	97.6	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-46.2	175.7	-178.5	57.2	0	0	0	111.9	E232 C235 M236 Y239 E247 N249 R253 R254 L255 E292	E232-L251 HydrophobicContact CB-CD1 4.29Å; E232-L251 HydrophobicContact CG-CD1 3.97Å; C235-L251 HydrophobicContact CB-CD2 4.23Å; M236-L251 HydrophobicContact CB-CD2 4.11Å; M236-L251 HydrophobicContact CE-CB 3.91Å; M236-L251 HydrophobicContact CE-CD2 3.73Å; M236-L251 HydrophobicContact CE-CG 3.65Å; M236-L251 HydrophobicContact SD-CD2 4.48Å; Y239-L251 HydrophobicContact CD2-CD2 4.22Å; Y239-L251 HydrophobicContact CE2-CD2 4.22Å; E247-L251 WeakPolarHBondContact O-CB 3.29Å; E247-L251 PolarHBondContact O-N 3.5Å; N249-L251 VanDerWaalsContact C-N 3.31Å; N249-L251 PolarHBondContact O-N 2.9Å; L251-R253 VanDerWaalsContact C-N 3.34Å; L251-R253 PolarHBondContact O-N 3.06Å; L251-R254 PolarHBondContact O-N 2.69Å; L251-L255 HydrophobicContact CD1-CD1 3.97Å; L251-L255 HydrophobicContact CD1-CG 4.13Å; L251-L255 HydrophobicContact CG-CD1 4.01Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.82Å; L251-E292 HydrophobicContact CB-CB 4.4Å; L251-E292 HydrophobicContact CB-CG 4.06Å
252	S	97.9	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-46.5	178.1	-56.7	0	0	0	0	110.9	M236 C248 N249 L255 L256 T268	M236-S252 WeakPolarHBondContact CE-OG 3.4Å; C248-S252 WeakPolarHBondContact O-CB 3.24Å; C248-S252 PolarHBondContact O-N 2.89Å; C248-S252 PolarHBondContact O-OG 3.46Å; N249-S252 PolarHBondContact O-N 3.43Å; S252-L255 PolarHBondContact O-N 3.36Å; S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.28Å; S252-L256 WeakPolarHBondContact O-CG 3.4Å; S252-L256 PolarHBondContact O-N 2.93Å; S252-T268 PolarHBondContact OG-OG1 3.02Å
253	R	97.4	Very high	96.4	Very high	62 Å²	62	41.4 Å²	41.4	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-51.3	174.9	176.2	-175.7	173.7	-82.7	1.1	111.1	N249 A250 L251 L255 L256 L257 Y269 H296 F305	N249-R253 WeakPolarHBondContact O-CB 3.4Å; N249-R253 PolarHBondContact O-N 2.98Å; A250-R253 PolarHBondContact O-N 3.32Å; L251-R253 VanDerWaalsContact C-N 3.34Å; L251-R253 PolarHBondContact O-N 3.06Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.4Å; R253-L256 PolarHBondContact O-N 3.03Å; R253-L256 VanDerWaalsContact O-N 3.16Å; R253-L257 HydrophobicContact CG-CD1 4.43Å; R253-L257 VanDerWaalsContact O-CG 3.32Å; R253-L257 WeakPolarHBondContact O-CG 3.3Å; R253-L257 PolarHBondContact O-N 3.33Å; R253-Y269 HydrophobicContact CB-CD2 4.33Å; R253-Y269 HydrophobicContact CB-CE2 4.29Å; R253-H296 PolarHBondContact NE-CE1 3.02Å; R253-H296 PolarHBondContact NE-NE2 3.25Å; R253-H296 VanDerWaalsContact NE-NE2 3.12Å; R253-F305 HydrophobicContact CG-CD2 4.47Å; R253-F305 HydrophobicContact CG-CE2 3.84Å; R253-F305 HydrophobicContact CG-CZ 4.01Å
254	R	96.8	Very high	96.4	Very high	88 Å²	88	42.9 Å²	42.9	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-56.9	-41.1	179.5	-176.4	175.7	67.1	79.8	-8.7	111.9	E232 A250 L251 L257 K258 E292	E232-R254 IonicContact OE1-NH1 2.85Å; E232-R254 IonicContact OE1-NH2 2.75Å; A250-R254 VanDerWaalsContact O-CB 3.29Å; A250-R254 WeakPolarHBondContact O-CB 3.41Å; A250-R254 PolarHBondContact O-N 2.85Å; L251-R254 PolarHBondContact O-N 2.69Å; R254-L257 PolarHBondContact O-N 3.47Å; R254-K258 PolarHBondContact O-N 3.25Å; R254-E292 IonicContact CZ-OE2 3.38Å; R254-E292 IonicContact NE-OE2 3.52Å; R254-E292 PolarHBondContact NE-OE2 3.4Å; R254-E292 IonicContact NH2-OE2 2.65Å; R254-E292 PolarHBondContact NH2-OE2 2.97Å
255	L	96.3	Very high	96.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-70.8	-39.7	177.5	-66.7	173.6	0	0	0	112.1	Q229 E232 L251 S252 R253 L257 K258 N259 F265	Q229-L255 HydrophobicContact CG-CD2 4.48Å; E232-L255 HydrophobicContact CB-CD1 4.14Å; E232-L255 HydrophobicContact CB-CD2 4.41Å; E232-L255 HydrophobicContact CG-CD2 4.18Å; L251-L255 HydrophobicContact CD1-CD1 3.97Å; L251-L255 HydrophobicContact CD1-CG 4.13Å; L251-L255 HydrophobicContact CG-CD1 4.01Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.82Å; S252-L255 PolarHBondContact O-N 3.36Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.4Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.78Å; L255-K258 WeakPolarHBondContact O-CB 3.4Å; L255-K258 PolarHBondContact O-N 2.89Å; L255-K258 VanDerWaalsContact O-N 3.08Å; L255-N259 PolarHBondContact O-N 3.24Å; L255-F265 HydrophobicContact CB-CD2 3.79Å; L255-F265 HydrophobicContact CB-CE2 4Å; L255-F265 HydrophobicContact CB-CG 4.14Å; L255-F265 HydrophobicContact CB-CZ 4.49Å; L255-F265 HydrophobicContact CD1-CD1 3.95Å; L255-F265 HydrophobicContact CD1-CD2 4.24Å; L255-F265 HydrophobicContact CD1-CE1 3.53Å; L255-F265 HydrophobicContact CD1-CE2 3.85Å; L255-F265 HydrophobicContact CD1-CG 4.31Å; L255-F265 HydrophobicContact CD1-CZ 3.49Å; L255-F265 VanDerWaalsContact CD1-CZ 3.49Å; L255-F265 HydrophobicContact CG-CE2 4.44Å
256	L	96.8	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-29	174.2	-72.2	172.8	0	0	0	113.5	S252 R253 K258 N259 S260 F265 Y266 Y269 F305	S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.28Å; S252-L256 WeakPolarHBondContact O-CG 3.4Å; S252-L256 PolarHBondContact O-N 2.93Å; R253-L256 PolarHBondContact O-N 3.03Å; R253-L256 VanDerWaalsContact O-N 3.16Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-N259 WeakPolarHBondContact CA-O 3.43Å; L256-N259 CarbonylContact O-C 3.26Å; L256-N259 VanDerWaalsContact O-C 3.3Å; L256-S260 WeakPolarHBondContact O-CA 3.43Å; L256-S260 PolarHBondContact O-N 3.38Å; L256-F265 HydrophobicContact CD1-CB 4.4Å; L256-F265 HydrophobicContact CD2-CB 3.87Å; L256-F265 HydrophobicContact CG-CB 3.83Å; L256-Y266 HydrophobicContact CD1-CD1 3.72Å; L256-Y266 HydrophobicContact CD1-CE1 3.89Å; L256-Y266 HydrophobicContact CD1-CG 4.13Å; L256-Y266 HydrophobicContact CD2-CD1 4.13Å; L256-Y266 HydrophobicContact CD2-CD2 3.64Å; L256-Y266 HydrophobicContact CD2-CE1 4.05Å; L256-Y266 HydrophobicContact CD2-CE2 3.56Å; L256-Y266 HydrophobicContact CD2-CG 3.94Å; L256-Y269 HydrophobicContact CD1-CG 4.36Å; L256-F305 HydrophobicContact CB-CE1 4.37Å; L256-F305 HydrophobicContact CB-CZ 4.06Å; L256-F305 HydrophobicContact CD1-CE1 4.02Å; L256-F305 HydrophobicContact CD1-CZ 4.49Å
257	L	95.8	Very high	96.4	Very high	75 Å²	75	39.9 Å²	39.9	39%	0.393	19%	0.185	S	C	.	.	H	α-helix	trans	-66.5	-32.7	170.4	-70.1	178.4	0	0	0	111.5	R253 R254 L255 F305	R253-L257 HydrophobicContact CG-CD1 4.43Å; R253-L257 VanDerWaalsContact O-CG 3.32Å; R253-L257 WeakPolarHBondContact O-CG 3.3Å; R253-L257 PolarHBondContact O-N 3.33Å; R254-L257 PolarHBondContact O-N 3.47Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.78Å; L257-F305 HydrophobicContact CD2-CE2 3.81Å; L257-F305 HydrophobicContact CD2-CZ 4.43Å; L257-F305 HydrophobicContact CG-CE2 4.34Å
258	K	93.8	Very high	96.4	Very high	163 Å²	163	39.2 Å²	39.2	71%	0.709	18%	0.182	S	C	*	.	H	α-helix	trans	-79.4	-42.1	176.7	-174.7	-179.6	179.7	-178.8	0	112.1	R254 L255 L256	R254-K258 PolarHBondContact O-N 3.25Å; L255-K258 WeakPolarHBondContact O-CB 3.4Å; L255-K258 PolarHBondContact O-N 2.89Å; L255-K258 VanDerWaalsContact O-N 3.08Å; L256-K258 VanDerWaalsContact C-N 3.28Å
259	N	93.1	Very high	96.4	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	18%	0.182	S	C	.	.			trans	-138.7	104	176.3	-177.4	11.5	0	0	0	110.4	L255 L256 D261 D262	L255-N259 PolarHBondContact O-N 3.24Å; L256-N259 WeakPolarHBondContact CA-O 3.43Å; L256-N259 CarbonylContact O-C 3.26Å; L256-N259 VanDerWaalsContact O-C 3.3Å; N259-D261 PolarHBondContact O-N 3.3Å; N259-D261 PolarHBondContact OD1-N 3.32Å; N259-D262 WeakPolarHBondContact CB-OD2 3.38Å; N259-D262 PolarHBondContact ND2-OD1 3.47Å; N259-D262 PolarHBondContact ND2-OD2 3.24Å
260	S	93.8	Very high	96.3	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.161	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.1	-175.9	56.9	0	0	0	0	114.5	L256 Y266 L320 P323	L256-S260 WeakPolarHBondContact O-CA 3.43Å; L256-S260 PolarHBondContact O-N 3.38Å; S260-Y266 WeakPolarHBondContact O-CE2 3.44Å; S260-Y266 PolarHBondContact O-OH 3.18Å; S260-L320 VanDerWaalsContact OG-CD1 3.28Å; S260-L320 WeakPolarHBondContact OG-CD1 3.43Å; S260-P323 WeakPolarHBondContact O-CD 3.33Å
261	D	94.1	Very high	96.2	Very high	49 Å²	49	42.1 Å²	42.1	26%	0.262	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-0.6	-179.9	-148.1	39.5	0	0	0	113.2	N259 W263 L320 R321 G322	N259-D261 PolarHBondContact O-N 3.3Å; N259-D261 PolarHBondContact OD1-N 3.32Å; D261-W263 PolarHBondContact O-N 3.36Å; D261-L320 HydrophobicContact CB-CD1 4.49Å; D261-L320 HydrophobicContact CB-CD2 4.25Å; D261-R321 PolarHBondContact OD1-N 3.21Å; D261-G322 WeakPolarHBondContact OD1-CA 3.47Å; D261-G322 PolarHBondContact OD1-N 3.38Å
262	D	95.2	Very high	96.2	Very high	40 Å²	40	42.1 Å²	42.1	21%	0.214	20%	0.198	C	C	.	.			trans	-76.6	94.8	-179.3	-81.1	-31.5	0	0	0	112.3	N259 Q264 F265 Y266	N259-D262 WeakPolarHBondContact CB-OD2 3.38Å; N259-D262 PolarHBondContact ND2-OD1 3.47Å; N259-D262 PolarHBondContact ND2-OD2 3.24Å; D262-Q264 VanDerWaalsContact C-N 3.28Å; D262-Q264 PolarHBondContact O-N 3.47Å; D262-F265 HydrophobicContact CB-CD2 3.57Å; D262-F265 HydrophobicContact CB-CE2 4.19Å; D262-F265 HydrophobicContact CB-CG 4.48Å; D262-F265 PolarHBondContact O-N 3.21Å; D262-F265 VanDerWaalsContact O-N 3.09Å; D262-Y266 PolarHBondContact O-N 2.73Å
263	W	96.9	Very high	96.2	Very high	89 Å²	89	42.2 Å²	42.2	34%	0.337	20%	0.198	S	C	.	.	H	α-helix	trans	-55.8	-38	-177.6	-169.9	-116.2	0	0	0	114.1	D261 F265 Y266 L267 L325 A326 E329 F372	D261-W263 PolarHBondContact O-N 3.36Å; W263-F265 PolarHBondContact O-N 3.39Å; W263-Y266 HydrophobicContact CE3-CD2 4.16Å; W263-Y266 PolarHBondContact O-N 3.26Å; W263-Y266 VanDerWaalsContact O-N 3.17Å; W263-L267 HydrophobicContact CZ2-CD2 4.07Å; W263-L267 PolarHBondContact O-N 3.25Å; W263-L267 VanDerWaalsContact O-N 3.15Å; W263-L325 HydrophobicContact CE3-CB 4.47Å; W263-L325 HydrophobicContact CH2-CB 3.99Å; W263-L325 HydrophobicContact CZ3-CB 3.67Å; W263-A326 HydrophobicContact CZ3-CB 4.3Å; W263-E329 HydrophobicContact CH2-CB 3.82Å; W263-E329 HydrophobicContact CH2-CG 4.29Å; W263-E329 HydrophobicContact CZ2-CB 4.35Å; W263-E329 HydrophobicContact CZ2-CG 4.42Å; W263-F372 HydrophobicContact CH2-CZ 4.05Å; W263-F372 HydrophobicContact CZ2-CZ 4.25Å
264	Q	96	Very high	96	Very high	101 Å²	101	39.8 Å²	39.8	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-38.4	179.1	64.7	174.8	-13.3	0	0	112.2	D262 L267 T268	D262-Q264 VanDerWaalsContact C-N 3.28Å; D262-Q264 PolarHBondContact O-N 3.47Å; Q264-L267 PolarHBondContact O-N 2.62Å; Q264-T268 WeakPolarHBondContact O-CG2 3.16Å; Q264-T268 PolarHBondContact O-N 2.85Å; Q264-T268 VanDerWaalsContact O-N 3.16Å
265	F	96.5	Very high	96	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-81	-24.4	-177.6	-61.4	-49.2	0	0	0	112.5	M236 L255 L256 D262 W263 T268 Y269	M236-F265 HydrophobicContact CE-CD1 4.33Å; L255-F265 HydrophobicContact CB-CD2 3.79Å; L255-F265 HydrophobicContact CB-CE2 4Å; L255-F265 HydrophobicContact CB-CG 4.14Å; L255-F265 HydrophobicContact CB-CZ 4.49Å; L255-F265 HydrophobicContact CD1-CD1 3.95Å; L255-F265 HydrophobicContact CD1-CD2 4.24Å; L255-F265 HydrophobicContact CD1-CE1 3.53Å; L255-F265 HydrophobicContact CD1-CE2 3.85Å; L255-F265 HydrophobicContact CD1-CG 4.31Å; L255-F265 HydrophobicContact CD1-CZ 3.49Å; L255-F265 VanDerWaalsContact CD1-CZ 3.49Å; L255-F265 HydrophobicContact CG-CE2 4.44Å; L256-F265 HydrophobicContact CD1-CB 4.4Å; L256-F265 HydrophobicContact CD2-CB 3.87Å; L256-F265 HydrophobicContact CG-CB 3.83Å; D262-F265 HydrophobicContact CB-CD2 3.57Å; D262-F265 HydrophobicContact CB-CE2 4.19Å; D262-F265 HydrophobicContact CB-CG 4.48Å; D262-F265 PolarHBondContact O-N 3.21Å; D262-F265 VanDerWaalsContact O-N 3.09Å; W263-F265 PolarHBondContact O-N 3.39Å; F265-T268 WeakPolarHBondContact CA-OG1 3.22Å; F265-T268 PolarHBondContact O-OG1 3.36Å; F265-T268 VanDerWaalsContact O-OG1 3.1Å; F265-Y269 WeakPolarHBondContact O-CB 3.41Å; F265-Y269 PolarHBondContact O-N 3.21Å
266	Y	97.9	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-45.2	167.2	-77.9	-69	0	0	0	111.2	L256 S260 D262 W263 T268 Y269 F270 I306 A326	L256-Y266 HydrophobicContact CD1-CD1 3.72Å; L256-Y266 HydrophobicContact CD1-CE1 3.89Å; L256-Y266 HydrophobicContact CD1-CG 4.13Å; L256-Y266 HydrophobicContact CD2-CD1 4.13Å; L256-Y266 HydrophobicContact CD2-CD2 3.64Å; L256-Y266 HydrophobicContact CD2-CE1 4.05Å; L256-Y266 HydrophobicContact CD2-CE2 3.56Å; L256-Y266 HydrophobicContact CD2-CG 3.94Å; S260-Y266 WeakPolarHBondContact O-CE2 3.44Å; S260-Y266 PolarHBondContact O-OH 3.18Å; D262-Y266 PolarHBondContact O-N 2.73Å; W263-Y266 HydrophobicContact CE3-CD2 4.16Å; W263-Y266 PolarHBondContact O-N 3.26Å; W263-Y266 VanDerWaalsContact O-N 3.17Å; Y266-T268 PolarHBondContact O-N 2.73Å; Y266-Y269 PolarHBondContact O-N 3.05Å; Y266-F270 HydrophobicContact CD1-CE2 4.36Å; Y266-F270 HydrophobicContact CD1-CZ 4.31Å; Y266-F270 WeakPolarHBondContact O-CD2 3.41Å; Y266-F270 WeakPolarHBondContact O-CG 3.39Å; Y266-F270 PolarHBondContact O-N 2.99Å; Y266-I306 HydrophobicContact CD1-CD1 3.9Å; Y266-I306 HydrophobicContact CE1-CD1 3.61Å; Y266-A326 HydrophobicContact CD1-CB 3.37Å; Y266-A326 HydrophobicContact CD2-CB 4.25Å; Y266-A326 HydrophobicContact CE1-CB 3.47Å; Y266-A326 VanDerWaalsContact CE1-CB 3.47Å; Y266-A326 HydrophobicContact CE2-CB 4.32Å; Y266-A326 HydrophobicContact CG-CB 3.79Å
267	L	97.1	Very high	95.8	Very high	55 Å²	55	44 Å²	44	29%	0.288	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-47	177.5	-63.7	179.7	0	0	0	111.3	W263 Q264 F270 D271 E329	W263-L267 HydrophobicContact CZ2-CD2 4.07Å; W263-L267 PolarHBondContact O-N 3.25Å; W263-L267 VanDerWaalsContact O-N 3.15Å; Q264-L267 PolarHBondContact O-N 2.62Å; L267-F270 PolarHBondContact O-N 2.83Å; L267-D271 WeakPolarHBondContact O-CB 3.15Å; L267-D271 PolarHBondContact O-N 3.03Å; L267-E329 HydrophobicContact CD2-CG 4.45Å
268	T	97.2	Very high	95.6	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-38.8	177.9	61.9	0	0	0	0	112.9	S252 Q264 F265 Y266 D271 S272	S252-T268 PolarHBondContact OG-OG1 3.02Å; Q264-T268 WeakPolarHBondContact O-CG2 3.16Å; Q264-T268 PolarHBondContact O-N 2.85Å; Q264-T268 VanDerWaalsContact O-N 3.16Å; F265-T268 WeakPolarHBondContact CA-OG1 3.22Å; F265-T268 PolarHBondContact O-OG1 3.36Å; F265-T268 VanDerWaalsContact O-OG1 3.1Å; Y266-T268 PolarHBondContact O-N 2.73Å; T268-D271 PolarHBondContact O-N 3.45Å; T268-S272 WeakPolarHBondContact O-CB 3.32Å; T268-S272 PolarHBondContact O-N 2.94Å; T268-S272 PolarHBondContact O-OG 3.09Å; T268-S272 VanDerWaalsContact O-OG 3.05Å
269	Y	98.3	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-52.3	174.4	174	-99.5	0	0	0	110.3	N249 R253 L256 F265 Y266 S272 V273 H296 A302 F305	N249-Y269 WeakPolarHBondContact ND2-CD2 3.15Å; N249-Y269 WeakPolarHBondContact ND2-CE2 3.43Å; R253-Y269 HydrophobicContact CB-CD2 4.33Å; R253-Y269 HydrophobicContact CB-CE2 4.29Å; L256-Y269 HydrophobicContact CD1-CG 4.36Å; F265-Y269 WeakPolarHBondContact O-CB 3.41Å; F265-Y269 PolarHBondContact O-N 3.21Å; Y266-Y269 PolarHBondContact O-N 3.05Å; Y269-S272 PolarHBondContact O-N 2.93Å; Y269-S272 PolarHBondContact O-OG 3.47Å; Y269-V273 HydrophobicContact CD1-CG2 4.37Å; Y269-V273 HydrophobicContact CD2-CG2 4.35Å; Y269-V273 HydrophobicContact CE1-CG2 3.96Å; Y269-V273 HydrophobicContact CE2-CG2 3.94Å; Y269-V273 WeakPolarHBondContact O-CG2 3.48Å; Y269-V273 PolarHBondContact O-N 2.76Å; Y269-H296 HydrophobicContact CE2-CB 4.5Å; Y269-H296 AromaticContact CE2-ND1 3.87Å; Y269-H296 AromaticContact CZ-ND1 3.77Å; Y269-H296 PolarHBondContact OH-ND1 3.4Å; Y269-A302 HydrophobicContact CE1-CB 4.27Å; Y269-A302 WeakPolarHBondContact OH-CA 3.45Å; Y269-F305 AromaticContact CE1-CD1 3.87Å; Y269-F305 HydrophobicContact CE1-CD1 3.87Å; Y269-F305 HydrophobicContact CE1-CE1 4.43Å; Y269-F305 HydrophobicContact CE2-CD1 4.17Å; Y269-F305 HydrophobicContact CE2-CE1 4.38Å; Y269-F305 AromaticContact CZ-CD1 3.65Å
270	F	96.6	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-46.6	178.6	-63.8	-45.5	0	0	0	112.2	Y266 L267 S272 V273 F274 I306 A326 E329 L330	Y266-F270 HydrophobicContact CD1-CE2 4.36Å; Y266-F270 HydrophobicContact CD1-CZ 4.31Å; Y266-F270 WeakPolarHBondContact O-CD2 3.41Å; Y266-F270 WeakPolarHBondContact O-CG 3.39Å; Y266-F270 PolarHBondContact O-N 2.99Å; L267-F270 PolarHBondContact O-N 2.83Å; F270-S272 VanDerWaalsContact C-N 3.25Å; F270-S272 PolarHBondContact O-N 2.93Å; F270-V273 PolarHBondContact O-N 3.19Å; F270-F274 HydrophobicContact CB-CD2 4.33Å; F270-F274 HydrophobicContact CB-CE2 4.3Å; F270-F274 WeakPolarHBondContact O-CD2 3.39Å; F270-F274 PolarHBondContact O-N 3.26Å; F270-I306 HydrophobicContact CE1-CD1 3.95Å; F270-I306 HydrophobicContact CE1-CG1 3.96Å; F270-I306 HydrophobicContact CZ-CD1 3.74Å; F270-I306 HydrophobicContact CZ-CG1 4.01Å; F270-A326 HydrophobicContact CE2-CB 4.12Å; F270-A326 HydrophobicContact CZ-CB 3.96Å; F270-A326 VanDerWaalsContact CZ-O 3.27Å; F270-A326 WeakPolarHBondContact CZ-O 3.36Å; F270-E329 HydrophobicContact CD2-CB 4.47Å; F270-E329 HydrophobicContact CD2-CG 3.88Å; F270-E329 HydrophobicContact CE2-CB 4.09Å; F270-E329 HydrophobicContact CE2-CG 4.01Å; F270-L330 HydrophobicContact CD1-CD1 3.9Å; F270-L330 HydrophobicContact CE1-CB 3.83Å; F270-L330 HydrophobicContact CE1-CD1 3.81Å; F270-L330 HydrophobicContact CE1-CD2 4.32Å; F270-L330 HydrophobicContact CE1-CG 4.18Å; F270-L330 HydrophobicContact CZ-CB 3.92Å
271	D	96.3	Very high	95.9	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-52.1	-48.1	176	-69	-14.3	0	0	0	110.6	L267 T268 R275 R333	L267-D271 WeakPolarHBondContact O-CB 3.15Å; L267-D271 PolarHBondContact O-N 3.03Å; T268-D271 PolarHBondContact O-N 3.45Å; D271-R275 WeakPolarHBondContact O-CG 3.42Å; D271-R275 PolarHBondContact O-N 3.11Å; D271-R275 VanDerWaalsContact O-N 3.15Å; D271-R333 IonicContact OD1-CZ 3.77Å; D271-R333 VanDerWaalsContact OD1-CZ 3.26Å; D271-R333 IonicContact OD1-NH1 2.99Å; D271-R333 PolarHBondContact OD1-NH1 3.26Å; D271-R333 IonicContact OD1-NH2 2.74Å; D271-R333 PolarHBondContact OD1-NH2 3.01Å
272	S	97.5	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-44	-179.3	65.3	0	0	0	0	113.7	N249 T268 Y269 F270 F274 R275 L276	N249-S272 VanDerWaalsContact CA-OG 3.24Å; N249-S272 WeakPolarHBondContact CA-OG 3.36Å; N249-S272 VanDerWaalsContact CB-OG 3.27Å; N249-S272 WeakPolarHBondContact CB-OG 3.28Å; N249-S272 PolarHBondContact ND2-OG 2.99Å; N249-S272 VanDerWaalsContact ND2-OG 3.1Å; T268-S272 WeakPolarHBondContact O-CB 3.32Å; T268-S272 PolarHBondContact O-N 2.94Å; T268-S272 PolarHBondContact O-OG 3.09Å; T268-S272 VanDerWaalsContact O-OG 3.05Å; Y269-S272 PolarHBondContact O-N 2.93Å; Y269-S272 PolarHBondContact O-OG 3.47Å; F270-S272 VanDerWaalsContact C-N 3.25Å; F270-S272 PolarHBondContact O-N 2.93Å; S272-F274 VanDerWaalsContact C-N 3.34Å; S272-F274 PolarHBondContact O-N 3.22Å; S272-R275 PolarHBondContact O-N 2.71Å; S272-L276 VanDerWaalsContact O-CG 3.24Å; S272-L276 WeakPolarHBondContact O-CG 3.24Å; S272-L276 PolarHBondContact O-N 3.45Å
273	V	96.1	Very high	95.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-48.6	177.6	171.5	0	0	0	0	110.3	N249 Y269 F270 R275 L276 I277 H296 A302	N249-V273 WeakPolarHBondContact ND2-CG2 3.25Å; Y269-V273 HydrophobicContact CD1-CG2 4.37Å; Y269-V273 HydrophobicContact CD2-CG2 4.35Å; Y269-V273 HydrophobicContact CE1-CG2 3.96Å; Y269-V273 HydrophobicContact CE2-CG2 3.94Å; Y269-V273 WeakPolarHBondContact O-CG2 3.48Å; Y269-V273 PolarHBondContact O-N 2.76Å; F270-V273 PolarHBondContact O-N 3.19Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.5Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 3.3Å; V273-L276 VanDerWaalsContact O-N 3.12Å; V273-I277 HydrophobicContact CG1-CD1 3.83Å; V273-I277 HydrophobicContact CG1-CG1 4.36Å; V273-I277 WeakPolarHBondContact O-CG1 3.45Å; V273-I277 PolarHBondContact O-N 3.01Å; V273-H296 HydrophobicContact CG2-CB 4.48Å; V273-A302 HydrophobicContact CG1-CB 3.98Å; V273-A302 HydrophobicContact CG2-CB 4.35Å
274	F	94.2	Very high	95.4	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-34.4	-177	-76.4	-62.4	0	0	0	112.6	F270 S272 I277 E278 L330 R333 L334 Q337	F270-F274 HydrophobicContact CB-CD2 4.33Å; F270-F274 HydrophobicContact CB-CE2 4.3Å; F270-F274 WeakPolarHBondContact O-CD2 3.39Å; F270-F274 PolarHBondContact O-N 3.26Å; S272-F274 VanDerWaalsContact C-N 3.34Å; S272-F274 PolarHBondContact O-N 3.22Å; F274-I277 HydrophobicContact CD1-CD1 4.17Å; F274-I277 PolarHBondContact O-N 2.93Å; F274-E278 WeakPolarHBondContact O-CB 3.5Å; F274-E278 PolarHBondContact O-N 3.06Å; F274-L330 HydrophobicContact CE2-CD1 4.1Å; F274-L330 HydrophobicContact CZ-CD1 3.89Å; F274-R333 HydrophobicContact CD2-CB 4.09Å; F274-R333 HydrophobicContact CE2-CB 3.31Å; F274-R333 HydrophobicContact CE2-CG 4.1Å; F274-R333 HydrophobicContact CZ-CB 3.55Å; F274-L334 HydrophobicContact CE1-CD2 3.75Å; F274-L334 HydrophobicContact CE1-CG 4.29Å; F274-L334 HydrophobicContact CZ-CD2 3.93Å; F274-L334 HydrophobicContact CZ-CG 4Å; F274-Q337 VanDerWaalsContact CD1-CD 3.42Å; F274-Q337 VanDerWaalsContact CD1-NE2 3.26Å
275	R	95.7	Very high	95	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-40.7	171	-70	-69.8	-170.7	142.4	2.8	112.3	W245 D271 S272 V273 I277 E278 E279	W245-R275 HydrophobicContact CB-CB 4.36Å; W245-R275 HydrophobicContact CD2-CB 3.82Å; W245-R275 HydrophobicContact CD2-CG 3.96Å; W245-R275 HydrophobicContact CE3-CB 4.41Å; W245-R275 HydrophobicContact CE3-CG 4.29Å; W245-R275 HydrophobicContact CG-CB 3.77Å; W245-R275 HydrophobicContact CG-CG 4.42Å; W245-R275 HydrophobicContact CH2-CG 4.39Å; W245-R275 HydrophobicContact CZ2-CG 4.06Å; W245-R275 HydrophobicContact CZ3-CG 4.49Å; D271-R275 WeakPolarHBondContact O-CG 3.42Å; D271-R275 PolarHBondContact O-N 3.11Å; D271-R275 VanDerWaalsContact O-N 3.15Å; S272-R275 PolarHBondContact O-N 2.71Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.5Å; R275-I277 VanDerWaalsContact C-N 3.34Å; R275-I277 PolarHBondContact O-N 3.48Å; R275-E278 PolarHBondContact O-N 2.87Å; R275-E279 WeakPolarHBondContact O-CB 3.34Å; R275-E279 WeakPolarHBondContact O-CG 3.34Å; R275-E279 PolarHBondContact O-N 2.99Å
276	L	96.2	Very high	94.5	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-37.4	177	-68.3	168.8	0	0	0	112.5	W245 P246 N249 S272 V273 E279 A280 W281 V295 H296	W245-L276 HydrophobicContact CB-CD2 3.83Å; W245-L276 HydrophobicContact CB-CG 3.99Å; P246-L276 HydrophobicContact CB-CD2 4.4Å; P246-L276 HydrophobicContact CG-CD2 3.69Å; N249-L276 HydrophobicContact CB-CD1 3.96Å; S272-L276 VanDerWaalsContact O-CG 3.24Å; S272-L276 WeakPolarHBondContact O-CG 3.24Å; S272-L276 PolarHBondContact O-N 3.45Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 3.3Å; V273-L276 VanDerWaalsContact O-N 3.12Å; L276-E279 PolarHBondContact O-N 3.32Å; L276-A280 PolarHBondContact O-N 3.06Å; L276-A280 VanDerWaalsContact O-N 3.12Å; L276-W281 HydrophobicContact CB-CB 4.3Å; L276-W281 HydrophobicContact CD2-CB 3.75Å; L276-W281 HydrophobicContact CD2-CD2 4.16Å; L276-W281 HydrophobicContact CD2-CG 3.76Å; L276-W281 PolarHBondContact O-N 2.9Å; L276-V295 HydrophobicContact CD1-CG1 3.54Å; L276-H296 WeakPolarHBondContact CD1-O 3.29Å
277	I	92.8	Very high	93.8	Very high	57 Å²	57	61.2 Å²	61.2	29%	0.292	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-47.1	172.7	-66.2	168	0	0	0	110.1	V273 F274 R275 E279 A280 Y297 A299	V273-I277 HydrophobicContact CG1-CD1 3.83Å; V273-I277 HydrophobicContact CG1-CG1 4.36Å; V273-I277 WeakPolarHBondContact O-CG1 3.45Å; V273-I277 PolarHBondContact O-N 3.01Å; F274-I277 HydrophobicContact CD1-CD1 4.17Å; F274-I277 PolarHBondContact O-N 2.93Å; R275-I277 VanDerWaalsContact C-N 3.34Å; R275-I277 PolarHBondContact O-N 3.48Å; I277-E279 VanDerWaalsContact C-N 3.33Å; I277-E279 PolarHBondContact O-N 3.29Å; I277-A280 PolarHBondContact O-N 3.2Å; I277-A280 VanDerWaalsContact O-N 3.12Å; I277-Y297 WeakPolarHBondContact CG1-O 3.47Å; I277-A299 HydrophobicContact CD1-CB 4.43Å
278	E	92.8	Very high	93.3	Very high	148 Å²	148	65.5 Å²	65.5	69%	0.692	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-40.3	177.8	-174.6	-178.4	-172.8	0	0	112.1	F274 R275 A280	F274-E278 WeakPolarHBondContact O-CB 3.5Å; F274-E278 PolarHBondContact O-N 3.06Å; R275-E278 PolarHBondContact O-N 2.87Å; E278-A280 PolarHBondContact O-N 3.47Å
279	E	95	Very high	92.9	Very high	100 Å²	100	67.2 Å²	67.2	47%	0.467	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.7	177.5	-71.4	176.3	-175.2	0	0	113.5	W245 R275 L276 I277 W281	W245-E279 PolarHBondContact NE1-OE1 3.04Å; R275-E279 WeakPolarHBondContact O-CB 3.34Å; R275-E279 WeakPolarHBondContact O-CG 3.34Å; R275-E279 PolarHBondContact O-N 2.99Å; L276-E279 PolarHBondContact O-N 3.32Å; I277-E279 VanDerWaalsContact C-N 3.33Å; I277-E279 PolarHBondContact O-N 3.29Å; E279-W281 PolarHBondContact O-N 3.32Å
280	A	94.4	Very high	92.6	Very high	79 Å²	79	68 Å²	68	65%	0.653	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	42.2	-172.9	0	0	0	0	0	112.3	L276 I277 E278	L276-A280 PolarHBondContact O-N 3.06Å; L276-A280 VanDerWaalsContact O-N 3.12Å; I277-A280 PolarHBondContact O-N 3.2Å; I277-A280 VanDerWaalsContact O-N 3.12Å; E278-A280 PolarHBondContact O-N 3.47Å
281	W	96.4	Very high	92.4	Very high	51 Å²	51	72.4 Å²	72.4	19%	0.193	41%	0.407	C	S	.	.			trans	-63.6	144.2	-176.3	-177	88.8	0	0	0	111.4	P246 L276 E279 P283 H289 V295 Y297	P246-W281 HydrophobicContact CB-CZ2 4.14Å; P246-W281 HydrophobicContact CG-CD2 4.42Å; P246-W281 HydrophobicContact CG-CG 4.5Å; P246-W281 HydrophobicContact CG-CZ2 4.24Å; L276-W281 HydrophobicContact CB-CB 4.3Å; L276-W281 HydrophobicContact CD2-CB 3.75Å; L276-W281 HydrophobicContact CD2-CD2 4.16Å; L276-W281 HydrophobicContact CD2-CG 3.76Å; L276-W281 PolarHBondContact O-N 2.9Å; E279-W281 PolarHBondContact O-N 3.32Å; W281-P283 VanDerWaalsContact CH2-CA 3.49Å; W281-P283 HydrophobicContact CH2-CB 3.97Å; W281-P283 HydrophobicContact CZ3-CB 4.1Å; W281-H289 HydrophobicContact CH2-CB 4.07Å; W281-V295 HydrophobicContact CE3-CG1 4.37Å; W281-V295 HydrophobicContact CH2-CB 3.96Å; W281-V295 HydrophobicContact CH2-CG1 4.09Å; W281-V295 HydrophobicContact CH2-CG2 4.28Å; W281-V295 HydrophobicContact CZ3-CB 4.07Å; W281-V295 HydrophobicContact CZ3-CG1 3.89Å; W281-Y297 AromaticContact CE3-CD1 3.89Å; W281-Y297 HydrophobicContact CE3-CD1 3.89Å; W281-Y297 AromaticContact CE3-CG 3.77Å; W281-Y297 HydrophobicContact CE3-CG 3.77Å; W281-Y297 AromaticContact CZ3-CD1 3.6Å; W281-Y297 HydrophobicContact CZ3-CD1 3.6Å; W281-Y297 HydrophobicContact CZ3-CE1 4.25Å; W281-Y297 AromaticContact CZ3-CG 4Å; W281-Y297 HydrophobicContact CZ3-CG 4Å
282	T	92.4	Very high	92.2	Very high	106 Å²	106	70.7 Å²	70.7	65%	0.65	40%	0.397	S	S	*	.			trans	-129.9	145.7	176.8	50.1	0	0	0	0	110.5
283	P	93	Very high	92	Very high	46 Å²	46	71.1 Å²	71.1	30%	0.299	40%	0.402	S	S	.	.			trans	-67.1	149.5	-178.4	27.4	-34.6	0	0	0	112	W281 Y297	W281-P283 VanDerWaalsContact CH2-CA 3.49Å; W281-P283 HydrophobicContact CH2-CB 3.97Å; W281-P283 HydrophobicContact CZ3-CB 4.1Å; P283-Y297 HydrophobicContact CG-CE1 4.32Å
284	P	91.4	Very high	91.9	Very high	63 Å²	63	75 Å²	75	41%	0.409	42%	0.42	S	S	.	.			trans	-63.5	150.4	173.8	28.2	-34.4	0	0	0	111.3	E286	P284-E286 VanDerWaalsContact C-N 3.31Å; P284-E286 PolarHBondContact O-N 3.43Å
285	A	87.4	Confident	92	Very high	120 Å²	120	74.4 Å²	74.4	99%	0.992	42%	0.417	S	S	*	.	S	Bend	trans	-71.2	-22.8	-177	0	0	0	0	0	114.2
286	E	85.2	Confident	92	Very high	187 Å²	187	69.5 Å²	69.5	87%	0.874	40%	0.4	S	S	*	.	S	Bend	trans	-141.7	139.8	-179.3	-170.5	170.7	-169.3	0	0	110	P284	P284-E286 VanDerWaalsContact C-N 3.31Å; P284-E286 PolarHBondContact O-N 3.43Å
287	G	83.2	Confident	91.8	Very high	67 Å²	67	73 Å²	73	69%	0.691	41%	0.413	S	S	*	.	S	Bend	trans	93.5	-175.4	-177	0	0	0	0	0	114.5
288	E	86.5	Confident	91.7	Very high	145 Å²	145	71.7 Å²	71.7	68%	0.678	41%	0.409	S	S	*	.			trans	-70.6	155.1	172.8	-64.2	-171.2	169.9	0	0	111.1	S290 G293	E288-S290 PolarHBondContact O-N 3.2Å; E288-G293 WeakPolarHBondContact OE2-CA 3.45Å
289	H	89.8	Confident	91.5	Very high	46 Å²	46	65 Å²	65	21%	0.213	38%	0.379	C	S	.	.	S	Bend	trans	-58.8	-32.2	-177.6	-67.9	-177.6	0	0	0	113.2	W281 E294 V295	W281-H289 HydrophobicContact CH2-CB 4.07Å; H289-E294 VanDerWaalsContact CE1-CD 3.44Å; H289-E294 IonicContact CE1-OE1 3.69Å; H289-E294 PolarHBondContact CE1-OE1 3.18Å; H289-E294 IonicContact CE1-OE2 3.71Å; H289-E294 PolarHBondContact CE1-OE2 3.42Å; H289-E294 IonicContact ND1-OE1 3.36Å; H289-E294 IonicContact ND1-OE2 3.37Å; H289-E294 IonicContact NE2-OE2 3.8Å; H289-V295 HydrophobicContact CB-CB 3.86Å; H289-V295 HydrophobicContact CB-CG2 3.66Å; H289-V295 PolarHBondContact ND1-N 3.34Å; H289-V295 PolarHBondContact ND1-O 3.34Å
290	S	92.8	Very high	91.3	Very high	16 Å²	16	64.7 Å²	64.7	11%	0.112	38%	0.378	C	S	.	.	S	Bend	trans	-153.9	177.1	179.3	75.3	0	0	0	0	111.6	A250 E288 E292 G293	A250-S290 VanDerWaalsContact CB-OG 3.31Å; A250-S290 WeakPolarHBondContact CB-OG 3.39Å; E288-S290 PolarHBondContact O-N 3.2Å; S290-E292 PolarHBondContact O-N 2.7Å; S290-E292 VanDerWaalsContact O-N 3.08Å; S290-E292 PolarHBondContact OG-N 3.02Å; S290-G293 PolarHBondContact N-O 3.43Å; S290-G293 VanDerWaalsContact N-O 3.16Å; S290-G293 PolarHBondContact O-N 3.47Å; S290-G293 VanDerWaalsContact O-N 3.1Å; S290-G293 PolarHBondContact OG-N 3.07Å; S290-G293 PolarHBondContact OG-O 2.91Å
291	L	90.8	Very high	91.2	Very high	94 Å²	94	63.2 Å²	63.2	49%	0.492	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.8	173.7	-64.4	175.5	0	0	0	114.7	R217 E247	R217-L291 PolarHBondContact NH2-O 3.18Å; E247-L291 HydrophobicContact CG-CB 4.05Å; E247-L291 HydrophobicContact CG-CD1 4.42Å; E247-L291 HydrophobicContact CG-CG 4.4Å
292	E	93.3	Very high	91.1	Very high	27 Å²	27	60.9 Å²	60.9	13%	0.126	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	5.4	-179.6	-68.2	-76.8	177.7	0	0	111.9	R217 Y239 E247 A250 L251 R254 S290	R217-E292 IonicContact CZ-OE1 3.98Å; R217-E292 IonicContact NH1-OE1 2.88Å; R217-E292 PolarHBondContact NH1-OE1 3.25Å; Y239-E292 HydrophobicContact CE2-CG 4.19Å; E247-E292 HydrophobicContact CB-CG 4.45Å; A250-E292 HydrophobicContact CB-CB 3.63Å; L251-E292 HydrophobicContact CB-CB 4.4Å; L251-E292 HydrophobicContact CB-CG 4.06Å; R254-E292 IonicContact CZ-OE2 3.38Å; R254-E292 IonicContact NE-OE2 3.52Å; R254-E292 PolarHBondContact NE-OE2 3.4Å; R254-E292 IonicContact NH2-OE2 2.65Å; R254-E292 PolarHBondContact NH2-OE2 2.97Å; S290-E292 PolarHBondContact O-N 2.7Å; S290-E292 VanDerWaalsContact O-N 3.08Å; S290-E292 PolarHBondContact OG-N 3.02Å
293	G	92.4	Very high	91	Very high	10 Å²	10	56.3 Å²	56.3	10%	0.103	32%	0.321	C	S	.	.	S	Bend	trans	96.1	-144.5	-179.3	0	0	0	0	0	113.6	E288 S290 V295	E288-G293 WeakPolarHBondContact OE2-CA 3.45Å; S290-G293 PolarHBondContact N-O 3.43Å; S290-G293 VanDerWaalsContact N-O 3.16Å; S290-G293 PolarHBondContact O-N 3.47Å; S290-G293 VanDerWaalsContact O-N 3.1Å; S290-G293 PolarHBondContact OG-N 3.07Å; S290-G293 PolarHBondContact OG-O 2.91Å; G293-V295 PolarHBondContact O-N 3.23Å
294	E	94.3	Very high	91.1	Very high	81 Å²	81	60.3 Å²	60.3	38%	0.379	33%	0.334	S	S	.	.			trans	-55.2	125.4	-174.5	-170.3	72.9	-167.9	0	0	113.6	A250 H289	A250-E294 WeakPolarHBondContact CA-O 3.45Å; A250-E294 VanDerWaalsContact CB-O 3.27Å; A250-E294 WeakPolarHBondContact CB-O 3.35Å; H289-E294 VanDerWaalsContact CE1-CD 3.44Å; H289-E294 IonicContact CE1-OE1 3.69Å; H289-E294 PolarHBondContact CE1-OE1 3.18Å; H289-E294 IonicContact CE1-OE2 3.71Å; H289-E294 PolarHBondContact CE1-OE2 3.42Å; H289-E294 IonicContact ND1-OE1 3.36Å; H289-E294 IonicContact ND1-OE2 3.37Å; H289-E294 IonicContact NE2-OE2 3.8Å
295	V	96.9	Very high	91.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.			trans	-111.8	135.6	176.9	-179.6	0	0	0	0	110	P246 N249 A250 L276 W281 H289 G293	P246-V295 HydrophobicContact CB-CG1 4.13Å; P246-V295 HydrophobicContact CB-CG2 3.89Å; P246-V295 WeakPolarHBondContact O-CG2 3.49Å; N249-V295 HydrophobicContact CB-CG1 4.17Å; A250-V295 HydrophobicContact CB-CG2 4Å; L276-V295 HydrophobicContact CD1-CG1 3.54Å; W281-V295 HydrophobicContact CE3-CG1 4.37Å; W281-V295 HydrophobicContact CH2-CB 3.96Å; W281-V295 HydrophobicContact CH2-CG1 4.09Å; W281-V295 HydrophobicContact CH2-CG2 4.28Å; W281-V295 HydrophobicContact CZ3-CB 4.07Å; W281-V295 HydrophobicContact CZ3-CG1 3.89Å; H289-V295 HydrophobicContact CB-CB 3.86Å; H289-V295 HydrophobicContact CB-CG2 3.66Å; H289-V295 PolarHBondContact ND1-N 3.34Å; H289-V295 PolarHBondContact ND1-O 3.34Å; G293-V295 PolarHBondContact O-N 3.23Å
296	H	95.7	Very high	91.6	Very high	17 Å²	17	52 Å²	52	8%	0.079	27%	0.269	C	S	.	.			trans	-100.1	133	168.8	-60.4	170.1	0	0	0	109.9	N249 R253 Y269 V273 L276 E301 F305	N249-H296 PolarHBondContact OD1-N 3.49Å; N249-H296 PolarHBondContact OD1-O 3.46Å; R253-H296 PolarHBondContact NE-CE1 3.02Å; R253-H296 PolarHBondContact NE-NE2 3.25Å; R253-H296 VanDerWaalsContact NE-NE2 3.12Å; Y269-H296 HydrophobicContact CE2-CB 4.5Å; Y269-H296 AromaticContact CE2-ND1 3.87Å; Y269-H296 AromaticContact CZ-ND1 3.77Å; Y269-H296 PolarHBondContact OH-ND1 3.4Å; V273-H296 HydrophobicContact CG2-CB 4.48Å; L276-H296 WeakPolarHBondContact CD1-O 3.29Å; H296-E301 HydrophobicContact CB-CB 3.87Å; H296-F305 AromaticContact CE1-CD2 3.8Å; H296-F305 AromaticContact CE1-CG 3.87Å
297	Y	91.7	Very high	92	Very high	74 Å²	74	46.7 Å²	46.7	29%	0.29	24%	0.244	S	C	.	.			trans	-135.4	6.2	-170.7	57.2	-84.6	0	0	0	113.4	I277 W281 P283 E301	I277-Y297 WeakPolarHBondContact CG1-O 3.47Å; W281-Y297 AromaticContact CE3-CD1 3.89Å; W281-Y297 HydrophobicContact CE3-CD1 3.89Å; W281-Y297 AromaticContact CE3-CG 3.77Å; W281-Y297 HydrophobicContact CE3-CG 3.77Å; W281-Y297 AromaticContact CZ3-CD1 3.6Å; W281-Y297 HydrophobicContact CZ3-CD1 3.6Å; W281-Y297 HydrophobicContact CZ3-CE1 4.25Å; W281-Y297 AromaticContact CZ3-CG 4Å; W281-Y297 HydrophobicContact CZ3-CG 4Å; P283-Y297 HydrophobicContact CG-CE1 4.32Å; Y297-E301 PolarHBondContact N-OE2 3.34Å
298	S	91.2	Very high	92.5	Very high	28 Å²	28	47.1 Å²	47.1	20%	0.196	23%	0.23	C	C	.	.	S	Bend	trans	-126.6	159	176.2	62.1	0	0	0	0	112.3	E300 E301 A302	S298-E300 VanDerWaalsContact C-N 3.28Å; S298-E300 PolarHBondContact O-N 3.4Å; S298-E301 PolarHBondContact N-OE2 3.23Å; S298-E301 VanDerWaalsContact N-OE2 3.11Å; S298-E301 PolarHBondContact O-N 3.31Å; S298-E301 WeakPolarHBondContact OG-CB 3.39Å; S298-E301 VanDerWaalsContact OG-CD 3.27Å; S298-E301 WeakPolarHBondContact OG-CG 3.31Å; S298-E301 PolarHBondContact OG-N 2.87Å; S298-E301 PolarHBondContact OG-OE2 3.43Å; S298-A302 PolarHBondContact O-N 3.37Å
299	A	88.6	Confident	92.9	Very high	9 Å²	9	42.2 Å²	42.2	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-38.4	173.8	0	0	0	0	0	110.9	I277 E301 A302 V303 L334	I277-A299 HydrophobicContact CD1-CB 4.43Å; A299-E301 PolarHBondContact O-N 3.15Å; A299-A302 PolarHBondContact O-N 3.04Å; A299-V303 WeakPolarHBondContact O-CB 3.34Å; A299-V303 VanDerWaalsContact O-CG2 3.22Å; A299-V303 WeakPolarHBondContact O-CG2 3.39Å; A299-V303 PolarHBondContact O-N 3.38Å; A299-L334 HydrophobicContact CB-CD2 3.93Å
300	E	89.6	Confident	93.1	Very high	93 Å²	93	41.5 Å²	41.5	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-46.7	177.9	-71.8	75.5	-167.3	0	0	112.7	S298 A302 V303 K304 K344	S298-E300 VanDerWaalsContact C-N 3.28Å; S298-E300 PolarHBondContact O-N 3.4Å; E300-A302 VanDerWaalsContact C-N 3.33Å; E300-V303 PolarHBondContact O-N 2.99Å; E300-K304 VanDerWaalsContact O-CB 3.3Å; E300-K304 WeakPolarHBondContact O-CB 3.18Å; E300-K304 PolarHBondContact O-N 3.45Å; E300-K344 IonicContact OE1-NZ 2.8Å; E300-K344 PolarHBondContact OE1-NZ 3.21Å
301	E	93.4	Very high	93.2	Very high	48 Å²	48	44.4 Å²	44.4	22%	0.224	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-38.8	178	-71.4	167.2	141.9	0	0	111.4	H296 Y297 S298 A299 F305	H296-E301 HydrophobicContact CB-CB 3.87Å; Y297-E301 PolarHBondContact N-OE2 3.34Å; S298-E301 PolarHBondContact N-OE2 3.23Å; S298-E301 VanDerWaalsContact N-OE2 3.11Å; S298-E301 PolarHBondContact O-N 3.31Å; S298-E301 WeakPolarHBondContact OG-CB 3.39Å; S298-E301 VanDerWaalsContact OG-CD 3.27Å; S298-E301 WeakPolarHBondContact OG-CG 3.31Å; S298-E301 PolarHBondContact OG-N 2.87Å; S298-E301 PolarHBondContact OG-OE2 3.43Å; A299-E301 PolarHBondContact O-N 3.15Å; E301-F305 VanDerWaalsContact O-CB 3.31Å; E301-F305 WeakPolarHBondContact O-CB 3.48Å; E301-F305 PolarHBondContact O-N 2.95Å
302	A	93.1	Very high	93.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-44.4	176.5	0	0	0	0	0	112.8	Y269 V273 S298 A299 E300 F305 I306 L330	Y269-A302 HydrophobicContact CE1-CB 4.27Å; Y269-A302 WeakPolarHBondContact OH-CA 3.45Å; V273-A302 HydrophobicContact CG1-CB 3.98Å; V273-A302 HydrophobicContact CG2-CB 4.35Å; S298-A302 PolarHBondContact O-N 3.37Å; A299-A302 PolarHBondContact O-N 3.04Å; E300-A302 VanDerWaalsContact C-N 3.33Å; A302-F305 PolarHBondContact O-N 3.45Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.15Å; A302-I306 VanDerWaalsContact O-N 3.12Å; A302-L330 HydrophobicContact CB-CD1 4.46Å
303	V	91.6	Very high	93.2	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-53	173.7	167.6	0	0	0	0	109.8	A299 E300 F305 I306 E307 L330 L334 L345	A299-V303 WeakPolarHBondContact O-CB 3.34Å; A299-V303 VanDerWaalsContact O-CG2 3.22Å; A299-V303 WeakPolarHBondContact O-CG2 3.39Å; A299-V303 PolarHBondContact O-N 3.38Å; E300-V303 PolarHBondContact O-N 2.99Å; V303-F305 VanDerWaalsContact C-N 3.32Å; V303-F305 PolarHBondContact O-N 3.14Å; V303-I306 PolarHBondContact O-N 3.29Å; V303-E307 HydrophobicContact CG1-CG 4.47Å; V303-E307 WeakPolarHBondContact O-CG 3.41Å; V303-E307 PolarHBondContact O-N 3.04Å; V303-L330 HydrophobicContact CG2-CD2 3.98Å; V303-L334 HydrophobicContact CG2-CD1 4.47Å; V303-L345 HydrophobicContact CB-CD2 4.24Å; V303-L345 HydrophobicContact CG1-CD2 3.69Å; V303-L345 HydrophobicContact CG1-CG 4.34Å; V303-L345 HydrophobicContact CG2-CD1 4.17Å; V303-L345 HydrophobicContact CG2-CD2 3.91Å; V303-L345 HydrophobicContact CG2-CG 3.99Å
304	K	93.4	Very high	93.1	Very high	131 Å²	131	46.6 Å²	46.6	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-57.4	-44.9	179.8	-177	-179.9	177.2	-176.5	0	111.9	E300 I306 E307 D308	E300-K304 VanDerWaalsContact O-CB 3.3Å; E300-K304 WeakPolarHBondContact O-CB 3.18Å; E300-K304 PolarHBondContact O-N 3.45Å; K304-I306 PolarHBondContact O-N 3.24Å; K304-E307 PolarHBondContact O-N 3.11Å; K304-D308 WeakPolarHBondContact O-CB 3.24Å; K304-D308 VanDerWaalsContact O-CG 3.23Å; K304-D308 PolarHBondContact O-N 2.97Å
305	F	95.9	Very high	92.9	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-46.1	179.1	179.3	-110.6	0	0	0	112.2	R253 L256 L257 Y269 H296 E301 A302 V303 D308 R309	R253-F305 HydrophobicContact CG-CD2 4.47Å; R253-F305 HydrophobicContact CG-CE2 3.84Å; R253-F305 HydrophobicContact CG-CZ 4.01Å; L256-F305 HydrophobicContact CB-CE1 4.37Å; L256-F305 HydrophobicContact CB-CZ 4.06Å; L256-F305 HydrophobicContact CD1-CE1 4.02Å; L256-F305 HydrophobicContact CD1-CZ 4.49Å; L257-F305 HydrophobicContact CD2-CE2 3.81Å; L257-F305 HydrophobicContact CD2-CZ 4.43Å; L257-F305 HydrophobicContact CG-CE2 4.34Å; Y269-F305 AromaticContact CE1-CD1 3.87Å; Y269-F305 HydrophobicContact CE1-CD1 3.87Å; Y269-F305 HydrophobicContact CE1-CE1 4.43Å; Y269-F305 HydrophobicContact CE2-CD1 4.17Å; Y269-F305 HydrophobicContact CE2-CE1 4.38Å; Y269-F305 AromaticContact CZ-CD1 3.65Å; H296-F305 AromaticContact CE1-CD2 3.8Å; H296-F305 AromaticContact CE1-CG 3.87Å; E301-F305 VanDerWaalsContact O-CB 3.31Å; E301-F305 WeakPolarHBondContact O-CB 3.48Å; E301-F305 PolarHBondContact O-N 2.95Å; A302-F305 PolarHBondContact O-N 3.45Å; V303-F305 VanDerWaalsContact C-N 3.32Å; V303-F305 PolarHBondContact O-N 3.14Å; F305-D308 PolarHBondContact O-N 3.17Å; F305-R309 HydrophobicContact CD1-CG 4.39Å; F305-R309 HydrophobicContact CE1-CG 4.03Å; F305-R309 HydrophobicContact CE2-CG 4.28Å; F305-R309 HydrophobicContact CZ-CG 3.97Å; F305-R309 WeakPolarHBondContact O-CG 3.32Å; F305-R309 PolarHBondContact O-N 2.89Å
306	I	95.2	Very high	92.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-40.9	179.1	-62.4	-55.4	0	0	0	111.3	Y266 F270 A302 V303 K304 D308 R309 I310 A326 K327 L330	Y266-I306 HydrophobicContact CD1-CD1 3.9Å; Y266-I306 HydrophobicContact CE1-CD1 3.61Å; F270-I306 HydrophobicContact CE1-CD1 3.95Å; F270-I306 HydrophobicContact CE1-CG1 3.96Å; F270-I306 HydrophobicContact CZ-CD1 3.74Å; F270-I306 HydrophobicContact CZ-CG1 4.01Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.15Å; A302-I306 VanDerWaalsContact O-N 3.12Å; V303-I306 PolarHBondContact O-N 3.29Å; K304-I306 PolarHBondContact O-N 3.24Å; I306-D308 VanDerWaalsContact C-N 3.34Å; I306-D308 PolarHBondContact O-N 3.49Å; I306-R309 PolarHBondContact O-N 3.5Å; I306-I310 HydrophobicContact CG2-CD1 4.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.2Å; I306-I310 PolarHBondContact O-N 2.98Å; I306-A326 HydrophobicContact CD1-CB 3.99Å; I306-A326 HydrophobicContact CG2-CB 4.48Å; I306-K327 HydrophobicContact CG2-CB 3.85Å; I306-K327 HydrophobicContact CG2-CG 4.42Å; I306-L330 HydrophobicContact CG1-CD2 4.06Å
307	E	92.8	Very high	92	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-39	175.3	-68.1	-166.9	146.4	0	0	112.5	V303 K304 I310 T311 K327	V303-E307 HydrophobicContact CG1-CG 4.47Å; V303-E307 WeakPolarHBondContact O-CG 3.41Å; V303-E307 PolarHBondContact O-N 3.04Å; K304-E307 PolarHBondContact O-N 3.11Å; E307-I310 PolarHBondContact O-N 2.88Å; E307-T311 WeakPolarHBondContact O-CB 3.13Å; E307-T311 PolarHBondContact O-N 3.33Å; E307-T311 PolarHBondContact O-OG1 3.3Å; E307-K327 IonicContact OE1-NZ 3.95Å; E307-K327 PolarHBondContact OE1-NZ 2.87Å
308	D	94.3	Very high	91.9	Very high	75 Å²	75	62.2 Å²	62.2	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-40	173.1	-73.3	-18.2	0	0	0	111	K304 F305 I306 T311 E312	K304-D308 WeakPolarHBondContact O-CB 3.24Å; K304-D308 VanDerWaalsContact O-CG 3.23Å; K304-D308 PolarHBondContact O-N 2.97Å; F305-D308 PolarHBondContact O-N 3.17Å; I306-D308 VanDerWaalsContact C-N 3.34Å; I306-D308 PolarHBondContact O-N 3.49Å; D308-T311 PolarHBondContact O-N 3.4Å; D308-E312 WeakPolarHBondContact O-CB 3.35Å; D308-E312 PolarHBondContact O-N 2.99Å
309	R	94.8	Very high	91.8	Very high	43 Å²	43	66.7 Å²	66.7	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-42.4	175.7	-69.3	-49.2	80.7	-171.4	-0.2	112	F305 I306 E313 P323	F305-R309 HydrophobicContact CD1-CG 4.39Å; F305-R309 HydrophobicContact CE1-CG 4.03Å; F305-R309 HydrophobicContact CE2-CG 4.28Å; F305-R309 HydrophobicContact CZ-CG 3.97Å; F305-R309 WeakPolarHBondContact O-CG 3.32Å; F305-R309 PolarHBondContact O-N 2.89Å; I306-R309 PolarHBondContact O-N 3.5Å; R309-E313 VanDerWaalsContact O-CB 3.25Å; R309-E313 WeakPolarHBondContact O-CB 3.27Å; R309-E313 PolarHBondContact O-N 3.35Å; R309-P323 HydrophobicContact CB-CB 4.16Å; R309-P323 HydrophobicContact CB-CG 4.38Å
310	I	93.9	Very high	92.1	Very high	30 Å²	30	67.5 Å²	67.5	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-43.6	175.6	-68.8	167.5	0	0	0	110.7	I306 E307 E312 E313 S314 P323 K327	I306-I310 HydrophobicContact CG2-CD1 4.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.2Å; I306-I310 PolarHBondContact O-N 2.98Å; E307-I310 PolarHBondContact O-N 2.88Å; I310-E312 PolarHBondContact O-N 2.64Å; I310-E313 PolarHBondContact O-N 3.44Å; I310-S314 WeakPolarHBondContact O-CB 3.28Å; I310-S314 PolarHBondContact O-N 2.94Å; I310-P323 HydrophobicContact CB-CB 4.49Å; I310-P323 HydrophobicContact CG1-CB 3.61Å; I310-K327 HydrophobicContact CD1-CB 3.98Å; I310-K327 HydrophobicContact CD1-CD 3.71Å; I310-K327 HydrophobicContact CD1-CG 4.39Å
311	T	93.9	Very high	92.4	Very high	78 Å²	78	67.1 Å²	67.1	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-40.7	-179.1	-58.9	0	0	0	0	111.7	E307 D308 S314	E307-T311 WeakPolarHBondContact O-CB 3.13Å; E307-T311 PolarHBondContact O-N 3.33Å; E307-T311 PolarHBondContact O-OG1 3.3Å; D308-T311 PolarHBondContact O-N 3.4Å; T311-S314 PolarHBondContact O-N 3.35Å
312	E	93.1	Very high	92.5	Very high	99 Å²	99	65 Å²	65	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-69.6	-42.1	177.7	-168.3	62.9	-168.7	0	0	111.9	D308 I310 S314 K315	D308-E312 WeakPolarHBondContact O-CB 3.35Å; D308-E312 PolarHBondContact O-N 2.99Å; I310-E312 PolarHBondContact O-N 2.64Å; E312-S314 VanDerWaalsContact C-N 3.28Å; E312-S314 PolarHBondContact O-N 3.31Å; E312-K315 WeakPolarHBondContact O-CB 3.43Å; E312-K315 PolarHBondContact O-N 3.02Å; E312-K315 VanDerWaalsContact O-N 3.16Å; E312-K315 IonicContact OE2-NZ 3.37Å; E312-K315 PolarHBondContact OE2-NZ 2.93Å
313	E	91.6	Very high	92.6	Very high	6 Å²	6	65 Å²	65	3%	0.028	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-40.5	173.1	179.2	-76.5	157.7	0	0	111.7	R309 I310 K315 S316 H319 L320 P323 H324	R309-E313 VanDerWaalsContact O-CB 3.25Å; R309-E313 WeakPolarHBondContact O-CB 3.27Å; R309-E313 PolarHBondContact O-N 3.35Å; I310-E313 PolarHBondContact O-N 3.44Å; E313-K315 PolarHBondContact O-N 3.05Å; E313-S316 WeakPolarHBondContact O-CB 3.33Å; E313-S316 PolarHBondContact O-N 3.48Å; E313-H319 WeakPolarHBondContact OE1-CA 3.3Å; E313-H319 IonicContact OE1-ND1 3.4Å; E313-L320 HydrophobicContact CG-CB 3.74Å; E313-L320 HydrophobicContact CG-CD1 4.3Å; E313-L320 HydrophobicContact CG-CG 4.16Å; E313-L320 PolarHBondContact OE1-N 3.05Å; E313-P323 HydrophobicContact CB-CG 4.31Å; E313-P323 HydrophobicContact CG-CG 4.4Å; E313-H324 IonicContact OE2-NE2 3.75Å
314	S	89.4	Confident	92.9	Very high	71 Å²	71	65.8 Å²	65.8	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.4	-179.1	-172.8	0	0	0	0	113.8	I310 T311 E312	I310-S314 WeakPolarHBondContact O-CB 3.28Å; I310-S314 PolarHBondContact O-N 2.94Å; T311-S314 PolarHBondContact O-N 3.35Å; E312-S314 VanDerWaalsContact C-N 3.28Å; E312-S314 PolarHBondContact O-N 3.31Å
315	K	90.4	Very high	93.1	Very high	147 Å²	147	60.3 Å²	60.3	64%	0.639	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.2	173.8	-58.6	169.8	-165.5	164	0	112.5	E312 E313	E312-K315 WeakPolarHBondContact O-CB 3.43Å; E312-K315 PolarHBondContact O-N 3.02Å; E312-K315 VanDerWaalsContact O-N 3.16Å; E312-K315 IonicContact OE2-NZ 3.37Å; E312-K315 PolarHBondContact OE2-NZ 2.93Å; E313-K315 PolarHBondContact O-N 3.05Å
316	S	89.4	Confident	93.1	Very high	53 Å²	53	59.9 Å²	59.9	37%	0.371	30%	0.303	S	S	.	.	S	Bend	trans	-78.4	150.2	178.2	-179.4	0	0	0	0	111.3	E313 R318	E313-S316 WeakPolarHBondContact O-CB 3.33Å; E313-S316 PolarHBondContact O-N 3.48Å; S316-R318 PolarHBondContact OG-N 2.89Å; S316-R318 VanDerWaalsContact OG-N 3.08Å; S316-R318 PolarHBondContact OG-O 3.36Å
317	S	85.2	Confident	93.2	Very high	126 Å²	126	61.4 Å²	61.4	88%	0.881	31%	0.309	S	S	*	.	S	Bend	trans	-74.7	-17.4	168.9	59.5	0	0	0	0	112.9
318	R	88.6	Confident	93.4	Very high	175 Å²	175	58 Å²	58	66%	0.66	29%	0.293	S	S	*	.	S	Bend	trans	-101	117.8	177.1	-178.3	176.7	-178.9	173.4	-1	109.6	S316 L320	S316-R318 PolarHBondContact OG-N 2.89Å; S316-R318 VanDerWaalsContact OG-N 3.08Å; S316-R318 PolarHBondContact OG-O 3.36Å; R318-L320 HydrophobicContact CG-CD2 4.1Å; R318-L320 PolarHBondContact O-N 3.26Å
319	H	90.1	Very high	93.5	Very high	122 Å²	122	55.3 Å²	55.3	57%	0.565	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-77.3	117.2	176.1	-65.2	-52.3	0	0	0	111.9	E313 F359	E313-H319 WeakPolarHBondContact OE1-CA 3.3Å; E313-H319 IonicContact OE1-ND1 3.4Å; H319-F359 HydrophobicContact CB-CE1 3.98Å; H319-F359 HydrophobicContact CB-CZ 4.35Å
320	L	94.7	Very high	93.5	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.131	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-101.8	143.2	-179.5	-57.2	174.4	0	0	0	111	S260 D261 E313 R318 H324 F359	S260-L320 VanDerWaalsContact OG-CD1 3.28Å; S260-L320 WeakPolarHBondContact OG-CD1 3.43Å; D261-L320 HydrophobicContact CB-CD1 4.49Å; D261-L320 HydrophobicContact CB-CD2 4.25Å; E313-L320 HydrophobicContact CG-CB 3.74Å; E313-L320 HydrophobicContact CG-CD1 4.3Å; E313-L320 HydrophobicContact CG-CG 4.16Å; E313-L320 PolarHBondContact OE1-N 3.05Å; R318-L320 HydrophobicContact CG-CD2 4.1Å; R318-L320 PolarHBondContact O-N 3.26Å; L320-H324 PolarHBondContact O-CD2 3.39Å; L320-F359 WeakPolarHBondContact O-CZ 3.45Å
321	R	95.1	Very high	93.5	Very high	85 Å²	85	52 Å²	52	32%	0.321	26%	0.264	S	S	.	.	S	Bend	trans	-89.9	-34.4	-174.6	-63.1	178.4	-64.3	151.3	1.5	111.7	D261 H324 L325 F359 C364 D368	D261-R321 PolarHBondContact OD1-N 3.21Å; R321-H324 PolarHBondContact O-N 2.95Å; R321-H324 VanDerWaalsContact O-N 3.12Å; R321-L325 HydrophobicContact CB-CD1 4.37Å; R321-L325 PolarHBondContact O-N 3.45Å; R321-L325 VanDerWaalsContact O-N 3.12Å; R321-F359 HydrophobicContact CG-CD1 3.8Å; R321-F359 HydrophobicContact CG-CE1 3.66Å; R321-F359 HydrophobicContact CG-CG 4.31Å; R321-F359 HydrophobicContact CG-CZ 4.06Å; R321-C364 PolarHBondContact NH1-SG 2.83Å; R321-D368 WeakPolarHBondContact CD-OD2 3.44Å; R321-D368 IonicContact CZ-OD2 2.61Å; R321-D368 IonicContact NH1-OD1 2.68Å; R321-D368 PolarHBondContact NH1-OD1 3.28Å; R321-D368 IonicContact NH1-OD2 3.89Å; R321-D368 PolarHBondContact NH1-OD2 3.02Å
322	G	95.9	Very high	93.5	Very high	4 Å²	4	50.6 Å²	50.6	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-47.7	-54.6	-173.7	0	0	0	0	0	114.2	D261 H324 L325 A326	D261-G322 WeakPolarHBondContact OD1-CA 3.47Å; D261-G322 PolarHBondContact OD1-N 3.38Å; G322-H324 VanDerWaalsContact C-N 3.3Å; G322-H324 PolarHBondContact O-N 3.33Å; G322-L325 PolarHBondContact O-N 2.82Å; G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.04Å; G322-A326 PolarHBondContact O-N 3.09Å
323	P	96.4	Very high	93.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-36.5	-178.1	-25.2	35.1	0	0	0	113.7	S260 R309 I310 E313 A326 K327	S260-P323 WeakPolarHBondContact O-CD 3.33Å; R309-P323 HydrophobicContact CB-CB 4.16Å; R309-P323 HydrophobicContact CB-CG 4.38Å; I310-P323 HydrophobicContact CB-CB 4.49Å; I310-P323 HydrophobicContact CG1-CB 3.61Å; E313-P323 HydrophobicContact CB-CG 4.31Å; E313-P323 HydrophobicContact CG-CG 4.4Å; P323-A326 PolarHBondContact O-N 3.37Å; P323-K327 PolarHBondContact O-N 2.94Å; P323-K327 VanDerWaalsContact O-N 3.14Å
324	H	96.2	Very high	93.4	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-71.6	-41.5	179.2	-62.8	-69.9	0	0	0	112.3	E313 L320 R321 G322 A326 K327 L328 Y355 F359	E313-H324 IonicContact OE2-NE2 3.75Å; L320-H324 PolarHBondContact O-CD2 3.39Å; R321-H324 PolarHBondContact O-N 2.95Å; R321-H324 VanDerWaalsContact O-N 3.12Å; G322-H324 VanDerWaalsContact C-N 3.3Å; G322-H324 PolarHBondContact O-N 3.33Å; H324-A326 VanDerWaalsContact C-N 3.32Å; H324-K327 PolarHBondContact O-N 3.38Å; H324-L328 PolarHBondContact O-N 3.43Å; H324-Y355 HydrophobicContact CB-CD2 3.71Å; H324-Y355 HydrophobicContact CB-CE2 4.03Å; H324-F359 AromaticContact CD2-CE2 3.48Å; H324-F359 VanDerWaalsContact CD2-CE2 3.48Å; H324-F359 WeakPolarHBondContact CD2-CE2 3.41Å; H324-F359 AromaticContact CD2-CZ 3.79Å
325	L	97.8	Very high	93.4	Very high	17 Å²	17	49 Å²	49	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-34.5	174.1	-60.9	177.5	0	0	0	111.5	W263 R321 G322 K327 L328 E329 Y355 D368 F372	W263-L325 HydrophobicContact CE3-CB 4.47Å; W263-L325 HydrophobicContact CH2-CB 3.99Å; W263-L325 HydrophobicContact CZ3-CB 3.67Å; R321-L325 HydrophobicContact CB-CD1 4.37Å; R321-L325 PolarHBondContact O-N 3.45Å; R321-L325 VanDerWaalsContact O-N 3.12Å; G322-L325 PolarHBondContact O-N 2.82Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 2.91Å; L325-L328 PolarHBondContact O-N 3.26Å; L325-L328 VanDerWaalsContact O-N 3.15Å; L325-E329 PolarHBondContact O-N 3.32Å; L325-Y355 HydrophobicContact CD2-CD2 4.18Å; L325-Y355 HydrophobicContact CD2-CE1 4.29Å; L325-Y355 HydrophobicContact CD2-CE2 3.62Å; L325-Y355 HydrophobicContact CG-CE2 3.96Å; L325-D368 HydrophobicContact CD1-CB 4.13Å; L325-D368 HydrophobicContact CD2-CB 3.98Å; L325-F372 HydrophobicContact CB-CE2 4.26Å; L325-F372 HydrophobicContact CD2-CD2 4.32Å; L325-F372 HydrophobicContact CD2-CE2 3.88Å
326	A	97.2	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-35.2	176.3	0	0	0	0	0	111.5	W263 Y266 F270 I306 G322 P323 H324 E329 L330	W263-A326 HydrophobicContact CZ3-CB 4.3Å; Y266-A326 HydrophobicContact CD1-CB 3.37Å; Y266-A326 HydrophobicContact CD2-CB 4.25Å; Y266-A326 HydrophobicContact CE1-CB 3.47Å; Y266-A326 VanDerWaalsContact CE1-CB 3.47Å; Y266-A326 HydrophobicContact CE2-CB 4.32Å; Y266-A326 HydrophobicContact CG-CB 3.79Å; F270-A326 HydrophobicContact CE2-CB 4.12Å; F270-A326 HydrophobicContact CZ-CB 3.96Å; F270-A326 VanDerWaalsContact CZ-O 3.27Å; F270-A326 WeakPolarHBondContact CZ-O 3.36Å; I306-A326 HydrophobicContact CD1-CB 3.99Å; I306-A326 HydrophobicContact CG2-CB 4.48Å; G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.04Å; G322-A326 PolarHBondContact O-N 3.09Å; P323-A326 PolarHBondContact O-N 3.37Å; H324-A326 VanDerWaalsContact C-N 3.32Å; A326-E329 PolarHBondContact O-N 3.48Å; A326-L330 WeakPolarHBondContact O-CB 3.48Å; A326-L330 PolarHBondContact O-N 3.35Å
327	K	96.1	Very high	92.8	Very high	31 Å²	31	48.5 Å²	48.5	14%	0.135	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-40.9	172.8	-168.4	168.4	178.4	167.2	0	112.3	I306 E307 I310 P323 H324 L325 L330 I331 L345 L351	I306-K327 HydrophobicContact CG2-CB 3.85Å; I306-K327 HydrophobicContact CG2-CG 4.42Å; E307-K327 IonicContact OE1-NZ 3.95Å; E307-K327 PolarHBondContact OE1-NZ 2.87Å; I310-K327 HydrophobicContact CD1-CB 3.98Å; I310-K327 HydrophobicContact CD1-CD 3.71Å; I310-K327 HydrophobicContact CD1-CG 4.39Å; P323-K327 PolarHBondContact O-N 2.94Å; P323-K327 VanDerWaalsContact O-N 3.14Å; H324-K327 PolarHBondContact O-N 3.38Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 2.91Å; K327-L330 PolarHBondContact O-N 3.01Å; K327-I331 WeakPolarHBondContact O-CG2 3.39Å; K327-I331 PolarHBondContact O-N 3.25Å; K327-I331 VanDerWaalsContact O-N 3.15Å; K327-L345 WeakPolarHBondContact CE-O 3.49Å; K327-L345 HydrophobicContact CG-CD2 4.17Å; K327-L345 PolarHBondContact NZ-O 3.04Å; K327-L345 VanDerWaalsContact NZ-O 3.12Å; K327-L351 HydrophobicContact CD-CD2 4.12Å; K327-L351 HydrophobicContact CG-CD1 4.28Å
328	L	96.6	Very high	92.4	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-36.6	174.8	-72.5	172	0	0	0	112.8	H324 L325 I331 R332 L351 M352 L369 F372 L375	H324-L328 PolarHBondContact O-N 3.43Å; L325-L328 PolarHBondContact O-N 3.26Å; L325-L328 VanDerWaalsContact O-N 3.15Å; L328-I331 WeakPolarHBondContact O-CG2 3.27Å; L328-R332 PolarHBondContact O-N 3.42Å; L328-L351 HydrophobicContact CD2-CB 3.69Å; L328-L351 HydrophobicContact CD2-CD1 4.24Å; L328-M352 HydrophobicContact CD1-CG 4.14Å; L328-M352 HydrophobicContact CD2-CG 3.9Å; L328-L369 HydrophobicContact CD1-CD2 4.41Å; L328-F372 HydrophobicContact CB-CD1 3.76Å; L328-F372 HydrophobicContact CB-CD2 4.21Å; L328-F372 HydrophobicContact CB-CE1 3.92Å; L328-F372 HydrophobicContact CB-CE2 4.37Å; L328-F372 HydrophobicContact CB-CG 3.94Å; L328-F372 HydrophobicContact CB-CZ 4.24Å; L328-F372 HydrophobicContact CD1-CB 4.36Å; L328-F372 HydrophobicContact CD1-CD2 4Å; L328-F372 HydrophobicContact CD1-CG 4.15Å; L328-L375 HydrophobicContact CD2-CD1 4.43Å
329	E	96.9	Very high	91.5	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-71.3	-37.8	175.6	-179	60.8	-166	0	0	112.1	W263 L267 F270 L325 A326 R332 R333 F372	W263-E329 HydrophobicContact CH2-CB 3.82Å; W263-E329 HydrophobicContact CH2-CG 4.29Å; W263-E329 HydrophobicContact CZ2-CB 4.35Å; W263-E329 HydrophobicContact CZ2-CG 4.42Å; L267-E329 HydrophobicContact CD2-CG 4.45Å; F270-E329 HydrophobicContact CD2-CB 4.47Å; F270-E329 HydrophobicContact CD2-CG 3.88Å; F270-E329 HydrophobicContact CE2-CB 4.09Å; F270-E329 HydrophobicContact CE2-CG 4.01Å; L325-E329 PolarHBondContact O-N 3.32Å; A326-E329 PolarHBondContact O-N 3.48Å; E329-R332 WeakPolarHBondContact O-CB 3.42Å; E329-R332 PolarHBondContact O-N 3.11Å; E329-R332 IonicContact OE2-CZ 3.28Å; E329-R332 IonicContact OE2-NH1 3.67Å; E329-R332 PolarHBondContact OE2-NH1 3.17Å; E329-R333 WeakPolarHBondContact O-CG 3.49Å; E329-R333 PolarHBondContact O-N 3.45Å; E329-R333 IonicContact OE1-CZ 3.9Å; E329-R333 IonicContact OE1-NE 3.4Å; E329-R333 PolarHBondContact OE1-NE 2.69Å; E329-R333 IonicContact OE1-NH2 3.02Å; E329-F372 HydrophobicContact CB-CE1 3.94Å; E329-F372 HydrophobicContact CB-CZ 4.2Å; E329-F372 WeakPolarHBondContact OE2-CE1 3.33Å
330	L	94.8	Very high	90.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-46	176.3	-178.2	59.3	0	0	0	111.6	F270 F274 A302 V303 I306 A326 K327 R332 R333 L334 L345	F270-L330 HydrophobicContact CD1-CD1 3.9Å; F270-L330 HydrophobicContact CE1-CB 3.83Å; F270-L330 HydrophobicContact CE1-CD1 3.81Å; F270-L330 HydrophobicContact CE1-CD2 4.32Å; F270-L330 HydrophobicContact CE1-CG 4.18Å; F270-L330 HydrophobicContact CZ-CB 3.92Å; F274-L330 HydrophobicContact CE2-CD1 4.1Å; F274-L330 HydrophobicContact CZ-CD1 3.89Å; A302-L330 HydrophobicContact CB-CD1 4.46Å; V303-L330 HydrophobicContact CG2-CD2 3.98Å; I306-L330 HydrophobicContact CG1-CD2 4.06Å; A326-L330 WeakPolarHBondContact O-CB 3.48Å; A326-L330 PolarHBondContact O-N 3.35Å; K327-L330 PolarHBondContact O-N 3.01Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 2.87Å; L330-R333 PolarHBondContact O-N 2.85Å; L330-L334 HydrophobicContact CD1-CD1 4.21Å; L330-L334 HydrophobicContact CD1-CG 4.25Å; L330-L334 HydrophobicContact CG-CD1 4Å; L330-L334 HydrophobicContact CG-CG 4.49Å; L330-L334 WeakPolarHBondContact O-CG 3.31Å; L330-L334 PolarHBondContact O-N 3.39Å; L330-L345 HydrophobicContact CB-CD1 4.34Å; L330-L345 HydrophobicContact CD2-CD1 3.96Å; L330-L345 HydrophobicContact CD2-CD2 4.29Å; L330-L345 HydrophobicContact CG-CD1 3.87Å
331	I	93.9	Very high	89	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-41.2	176.7	-174.1	159.9	0	0	0	111.7	K327 L328 R333 L334 R335 E342 L345 G346 P348 L351 L375	K327-I331 WeakPolarHBondContact O-CG2 3.39Å; K327-I331 PolarHBondContact O-N 3.25Å; K327-I331 VanDerWaalsContact O-N 3.15Å; L328-I331 WeakPolarHBondContact O-CG2 3.27Å; I331-R333 VanDerWaalsContact C-N 3.34Å; I331-R333 PolarHBondContact O-N 3.43Å; I331-L334 PolarHBondContact O-N 3.07Å; I331-R335 WeakPolarHBondContact O-CB 3.49Å; I331-R335 PolarHBondContact O-N 3.44Å; I331-E342 HydrophobicContact CG1-CG 4.34Å; I331-L345 HydrophobicContact CB-CD1 4.07Å; I331-L345 HydrophobicContact CD1-CB 4.44Å; I331-G346 WeakPolarHBondContact CD1-O 3.42Å; I331-P348 HydrophobicContact CD1-CG 3.67Å; I331-P348 HydrophobicContact CG1-CG 4.29Å; I331-L351 HydrophobicContact CD1-CD1 4.44Å; I331-L375 HydrophobicContact CG2-CD1 4.14Å
332	R	94.1	Very high	87.6	Confident	50 Å²	50	37 Å²	37	19%	0.189	20%	0.2	C	C	.	.	H	α-helix	trans	-55.3	-49.5	173.6	174	-174.1	-74.7	146.1	-4.4	111.8	L328 E329 L330 R335 S336 V371 F372 D374 L375	L328-R332 PolarHBondContact O-N 3.42Å; E329-R332 WeakPolarHBondContact O-CB 3.42Å; E329-R332 PolarHBondContact O-N 3.11Å; E329-R332 IonicContact OE2-CZ 3.28Å; E329-R332 IonicContact OE2-NH1 3.67Å; E329-R332 PolarHBondContact OE2-NH1 3.17Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 2.87Å; R332-R335 WeakPolarHBondContact O-CB 3.44Å; R332-R335 PolarHBondContact O-N 2.88Å; R332-S336 PolarHBondContact O-N 3.3Å; R332-V371 PolarHBondContact NH2-O 3.04Å; R332-F372 VanDerWaalsContact CZ-CD1 3.47Å; R332-F372 VanDerWaalsContact NH1-CD1 3.35Å; R332-F372 VanDerWaalsContact NH2-CA 3.28Å; R332-F372 VanDerWaalsContact NH2-CD1 3.33Å; R332-D374 IonicContact CZ-OD1 3.69Å; R332-D374 IonicContact CZ-OD2 3.69Å; R332-D374 IonicContact NE-OD1 2.87Å; R332-D374 IonicContact NE-OD2 3.7Å; R332-D374 IonicContact NH2-OD1 2.93Å; R332-D374 PolarHBondContact NH2-OD1 3.34Å; R332-D374 IonicContact NH2-OD2 3.43Å; R332-L375 HydrophobicContact CB-CD1 4.4Å; R332-L375 HydrophobicContact CB-CD2 3.93Å; R332-L375 HydrophobicContact CG-CD2 4.39Å
333	R	92.7	Very high	86.1	Confident	39 Å²	39	44.6 Å²	44.6	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-42.2	-175.1	-70.8	173.8	173.5	-124.5	4.9	111.9	D271 F274 E329 L330 I331 R335 S336 Q337	D271-R333 IonicContact OD1-CZ 3.77Å; D271-R333 VanDerWaalsContact OD1-CZ 3.26Å; D271-R333 IonicContact OD1-NH1 2.99Å; D271-R333 PolarHBondContact OD1-NH1 3.26Å; D271-R333 IonicContact OD1-NH2 2.74Å; D271-R333 PolarHBondContact OD1-NH2 3.01Å; F274-R333 HydrophobicContact CD2-CB 4.09Å; F274-R333 HydrophobicContact CE2-CB 3.31Å; F274-R333 HydrophobicContact CE2-CG 4.1Å; F274-R333 HydrophobicContact CZ-CB 3.55Å; E329-R333 WeakPolarHBondContact O-CG 3.49Å; E329-R333 PolarHBondContact O-N 3.45Å; E329-R333 IonicContact OE1-CZ 3.9Å; E329-R333 IonicContact OE1-NE 3.4Å; E329-R333 PolarHBondContact OE1-NE 2.69Å; E329-R333 IonicContact OE1-NH2 3.02Å; L330-R333 PolarHBondContact O-N 2.85Å; I331-R333 VanDerWaalsContact C-N 3.34Å; I331-R333 PolarHBondContact O-N 3.43Å; R333-R335 VanDerWaalsContact C-N 3.25Å; R333-R335 PolarHBondContact O-N 3.03Å; R333-S336 PolarHBondContact O-N 2.99Å; R333-S336 PolarHBondContact O-OG 2.81Å; R333-Q337 PolarHBondContact O-N 3.23Å
334	L	89.6	Confident	85	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-40	173	-69.8	167.9	0	0	0	111.4	F274 A299 V303 L330 I331 Q337 G338 C339 E342 L345	F274-L334 HydrophobicContact CE1-CD2 3.75Å; F274-L334 HydrophobicContact CE1-CG 4.29Å; F274-L334 HydrophobicContact CZ-CD2 3.93Å; F274-L334 HydrophobicContact CZ-CG 4Å; A299-L334 HydrophobicContact CB-CD2 3.93Å; V303-L334 HydrophobicContact CG2-CD1 4.47Å; L330-L334 HydrophobicContact CD1-CD1 4.21Å; L330-L334 HydrophobicContact CD1-CG 4.25Å; L330-L334 HydrophobicContact CG-CD1 4Å; L330-L334 HydrophobicContact CG-CG 4.49Å; L330-L334 WeakPolarHBondContact O-CG 3.31Å; L330-L334 PolarHBondContact O-N 3.39Å; I331-L334 PolarHBondContact O-N 3.07Å; L334-Q337 PolarHBondContact O-N 3.45Å; L334-G338 PolarHBondContact O-N 2.76Å; L334-G338 VanDerWaalsContact O-N 3.15Å; L334-C339 HydrophobicContact CB-CB 4.31Å; L334-C339 HydrophobicContact CD2-CB 3.84Å; L334-C339 PolarHBondContact O-N 3.02Å; L334-C339 VanDerWaalsContact O-N 3.11Å; L334-E342 HydrophobicContact CB-CG 3.45Å; L334-E342 VanDerWaalsContact CB-CG 3.45Å; L334-E342 HydrophobicContact CD1-CG 4.47Å; L334-L345 HydrophobicContact CD1-CD1 3.58Å
335	R	89.1	Confident	84.2	Confident	102 Å²	102	47.6 Å²	47.6	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-43.3	174.3	-159.7	174.7	-68.3	-179.6	-5.5	114.7	I331 R332 R333 Q337 G338 E342 L375	I331-R335 WeakPolarHBondContact O-CB 3.49Å; I331-R335 PolarHBondContact O-N 3.44Å; R332-R335 WeakPolarHBondContact O-CB 3.44Å; R332-R335 PolarHBondContact O-N 2.88Å; R333-R335 VanDerWaalsContact C-N 3.25Å; R333-R335 PolarHBondContact O-N 3.03Å; R335-Q337 PolarHBondContact O-N 3.14Å; R335-G338 PolarHBondContact O-N 2.74Å; R335-E342 WeakPolarHBondContact CA-OE1 3.16Å; R335-E342 VanDerWaalsContact CB-CD 3.41Å; R335-E342 VanDerWaalsContact CB-OE1 3.23Å; R335-E342 WeakPolarHBondContact CB-OE1 3.32Å; R335-E342 VanDerWaalsContact CB-OE2 3.3Å; R335-E342 WeakPolarHBondContact CB-OE2 3.33Å; R335-E342 WeakPolarHBondContact CG-OE1 3.46Å; R335-E342 IonicContact CZ-OE2 2.65Å; R335-E342 PolarHBondContact N-OE1 3.11Å; R335-E342 IonicContact NE-OE2 2.87Å; R335-E342 PolarHBondContact NE-OE2 3.38Å; R335-E342 IonicContact NH2-OE2 3.44Å; R335-E342 PolarHBondContact NH2-OE2 3.5Å; R335-L375 PolarHBondContact NH1-O 2.9Å
336	S	87.3	Confident	83.6	Confident	94 Å²	94	48.4 Å²	48.4	66%	0.657	25%	0.254	S	S	*	.	H	α-helix	trans	-61.5	-25.3	177.8	73.6	0	0	0	0	112.8	R332 R333	R332-S336 PolarHBondContact O-N 3.3Å; R333-S336 PolarHBondContact O-N 2.99Å; R333-S336 PolarHBondContact O-OG 2.81Å
337	Q	81	Confident	83.2	Confident	97 Å²	97	52.4 Å²	52.4	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-98.2	-6.2	-179.5	-64.3	-175	1.2	0	0	113.9	F274 R333 L334 R335 C339	F274-Q337 VanDerWaalsContact CD1-CD 3.42Å; F274-Q337 VanDerWaalsContact CD1-NE2 3.26Å; R333-Q337 PolarHBondContact O-N 3.23Å; L334-Q337 PolarHBondContact O-N 3.45Å; R335-Q337 PolarHBondContact O-N 3.14Å; Q337-C339 VanDerWaalsContact C-N 3.32Å
338	G	75.9	Confident	83.1	Confident	56 Å²	56	51.1 Å²	51.1	58%	0.577	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	26.9	-176.9	0	0	0	0	0	113.8	L334 R335 N340	L334-G338 PolarHBondContact O-N 2.76Å; L334-G338 VanDerWaalsContact O-N 3.15Å; R335-G338 PolarHBondContact O-N 2.74Å; G338-N340 PolarHBondContact O-N 2.68Å
339	C	69.9	Low	82.9	Confident	31 Å²	31	51.3 Å²	51.3	21%	0.209	27%	0.271	C	S	.	.			trans	-72.6	123.8	176.6	-66.1	0	0	0	0	110.3	L334 Q337 D341	L334-C339 HydrophobicContact CB-CB 4.31Å; L334-C339 HydrophobicContact CD2-CB 3.84Å; L334-C339 PolarHBondContact O-N 3.02Å; L334-C339 VanDerWaalsContact O-N 3.11Å; Q337-C339 VanDerWaalsContact C-N 3.32Å; C339-D341 PolarHBondContact O-N 2.85Å; C339-D341 VanDerWaalsContact O-N 3.11Å
340	N	66.1	Low	82.8	Confident	136 Å²	136	53.6 Å²	53.6	73%	0.727	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.8	179.7	-69.5	-35.7	0	0	0	112.7	G338 E342 Y343	G338-N340 PolarHBondContact O-N 2.68Å; N340-E342 PolarHBondContact O-N 3.48Å; N340-E342 VanDerWaalsContact O-N 3.07Å; N340-Y343 WeakPolarHBondContact O-CD1 3.47Å; N340-Y343 WeakPolarHBondContact O-CE1 3.29Å
341	D	65.4	Low	82.9	Confident	37 Å²	37	54.5 Å²	54.5	20%	0.198	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.1	-2.4	-174	-61.4	-55.1	0	0	0	115.6	C339 Y343 K344	C339-D341 PolarHBondContact O-N 2.85Å; C339-D341 VanDerWaalsContact O-N 3.11Å; D341-Y343 PolarHBondContact O-N 3.28Å; D341-K344 HydrophobicContact CB-CD 4.16Å; D341-K344 VanDerWaalsContact O-CB 3.32Å; D341-K344 WeakPolarHBondContact O-CB 3.4Å; D341-K344 PolarHBondContact O-N 3.12Å; D341-K344 VanDerWaalsContact O-N 3.09Å; D341-K344 VanDerWaalsContact OD1-CE 3.29Å; D341-K344 WeakPolarHBondContact OD1-CE 3.44Å; D341-K344 IonicContact OD1-NZ 3.9Å; D341-K344 PolarHBondContact OD1-NZ 2.67Å
342	E	67.5	Low	83.1	Confident	32 Å²	32	54.4 Å²	54.4	15%	0.15	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.3	-37.3	173.2	-84	-176.3	-104.8	0	0	113.8	I331 L334 R335 N340 K344 L345	I331-E342 HydrophobicContact CG1-CG 4.34Å; L334-E342 HydrophobicContact CB-CG 3.45Å; L334-E342 VanDerWaalsContact CB-CG 3.45Å; L334-E342 HydrophobicContact CD1-CG 4.47Å; R335-E342 WeakPolarHBondContact CA-OE1 3.16Å; R335-E342 VanDerWaalsContact CB-CD 3.41Å; R335-E342 VanDerWaalsContact CB-OE1 3.23Å; R335-E342 WeakPolarHBondContact CB-OE1 3.32Å; R335-E342 VanDerWaalsContact CB-OE2 3.3Å; R335-E342 WeakPolarHBondContact CB-OE2 3.33Å; R335-E342 WeakPolarHBondContact CG-OE1 3.46Å; R335-E342 IonicContact CZ-OE2 2.65Å; R335-E342 PolarHBondContact N-OE1 3.11Å; R335-E342 IonicContact NE-OE2 2.87Å; R335-E342 PolarHBondContact NE-OE2 3.38Å; R335-E342 IonicContact NH2-OE2 3.44Å; R335-E342 PolarHBondContact NH2-OE2 3.5Å; N340-E342 PolarHBondContact O-N 3.48Å; N340-E342 VanDerWaalsContact O-N 3.07Å; E342-K344 PolarHBondContact O-N 2.96Å; E342-L345 PolarHBondContact O-N 3.09Å
343	Y	64.1	Low	83.2	Confident	163 Å²	163	52.6 Å²	52.6	64%	0.639	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.8	-177.6	64.1	-101.3	0	0	0	112.3	N340 D341 L345	N340-Y343 WeakPolarHBondContact O-CD1 3.47Å; N340-Y343 WeakPolarHBondContact O-CE1 3.29Å; D341-Y343 PolarHBondContact O-N 3.28Å; Y343-L345 VanDerWaalsContact C-N 3.28Å; Y343-L345 PolarHBondContact O-N 3.33Å
344	K	72.6	Confident	83.4	Confident	85 Å²	85	55 Å²	55	37%	0.37	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-70	-24.2	178.8	-60.5	174.8	177.8	160.6	0	112.1	E300 D341 E342	E300-K344 IonicContact OE1-NZ 2.8Å; E300-K344 PolarHBondContact OE1-NZ 3.21Å; D341-K344 HydrophobicContact CB-CD 4.16Å; D341-K344 VanDerWaalsContact O-CB 3.32Å; D341-K344 WeakPolarHBondContact O-CB 3.4Å; D341-K344 PolarHBondContact O-N 3.12Å; D341-K344 VanDerWaalsContact O-N 3.09Å; D341-K344 VanDerWaalsContact OD1-CE 3.29Å; D341-K344 WeakPolarHBondContact OD1-CE 3.44Å; D341-K344 IonicContact OD1-NZ 3.9Å; D341-K344 PolarHBondContact OD1-NZ 2.67Å; E342-K344 PolarHBondContact O-N 2.96Å
345	L	79.8	Confident	83.8	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.4	-179.3	-71.2	170.9	0	0	0	113.8	V303 K327 L330 I331 L334 E342 Y343	V303-L345 HydrophobicContact CB-CD2 4.24Å; V303-L345 HydrophobicContact CG1-CD2 3.69Å; V303-L345 HydrophobicContact CG1-CG 4.34Å; V303-L345 HydrophobicContact CG2-CD1 4.17Å; V303-L345 HydrophobicContact CG2-CD2 3.91Å; V303-L345 HydrophobicContact CG2-CG 3.99Å; K327-L345 WeakPolarHBondContact CE-O 3.49Å; K327-L345 HydrophobicContact CG-CD2 4.17Å; K327-L345 PolarHBondContact NZ-O 3.04Å; K327-L345 VanDerWaalsContact NZ-O 3.12Å; L330-L345 HydrophobicContact CB-CD1 4.34Å; L330-L345 HydrophobicContact CD2-CD1 3.96Å; L330-L345 HydrophobicContact CD2-CD2 4.29Å; L330-L345 HydrophobicContact CG-CD1 3.87Å; I331-L345 HydrophobicContact CB-CD1 4.07Å; I331-L345 HydrophobicContact CD1-CB 4.44Å; L334-L345 HydrophobicContact CD1-CD1 3.58Å; E342-L345 PolarHBondContact O-N 3.09Å; Y343-L345 VanDerWaalsContact C-N 3.28Å; Y343-L345 PolarHBondContact O-N 3.33Å
346	G	84.9	Confident	84.3	Confident	35 Å²	35	50.4 Å²	50.4	36%	0.361	28%	0.275	S	S	.	.			trans	100.3	-178.9	-176.8	0	0	0	0	0	113.7	I331	I331-G346 WeakPolarHBondContact CD1-O 3.42Å
347	D	89.4	Confident	84.8	Confident	84 Å²	84	50.6 Å²	50.6	45%	0.449	26%	0.264	S	S	.	.			trans	-82.5	129.7	-178.1	-173.4	29.2	0	0	0	111.2	E349 E350 L351	D347-E349 PolarHBondContact O-N 3.08Å; D347-E349 WeakPolarHBondContact OD2-CB 3.04Å; D347-E350 HydrophobicContact CB-CB 4.43Å; D347-E350 PolarHBondContact O-N 3.04Å; D347-E350 VanDerWaalsContact O-N 3.09Å; D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 3.02Å
348	P	92.4	Very high	85.5	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-35.9	178.5	-25.1	31.2	0	0	0	114.1	I331 E350 L351 M352 L375	I331-P348 HydrophobicContact CD1-CG 3.67Å; I331-P348 HydrophobicContact CG1-CG 4.29Å; P348-E350 VanDerWaalsContact C-N 3.32Å; P348-E350 PolarHBondContact O-N 3.17Å; P348-L351 PolarHBondContact O-N 3.47Å; P348-M352 WeakPolarHBondContact O-CB 3.36Å; P348-M352 VanDerWaalsContact O-CG 3.24Å; P348-M352 WeakPolarHBondContact O-CG 3.2Å; P348-M352 PolarHBondContact O-N 2.72Å; P348-L375 HydrophobicContact CB-CB 3.79Å; P348-L375 HydrophobicContact CB-CD1 4.28Å; P348-L375 HydrophobicContact CG-CB 4.18Å
349	E	94	Very high	86.5	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-50.2	175.7	-175.8	-179.2	123.6	0	0	110.3	D347 M352 F353 L376 Q380 K383 F384 Q387	D347-E349 PolarHBondContact O-N 3.08Å; D347-E349 WeakPolarHBondContact OD2-CB 3.04Å; E349-M352 PolarHBondContact O-N 3.27Å; E349-F353 WeakPolarHBondContact O-CB 3.34Å; E349-F353 PolarHBondContact O-N 2.65Å; E349-L376 HydrophobicContact CB-CD2 3.96Å; E349-L376 HydrophobicContact CG-CD2 4.39Å; E349-Q380 PolarHBondContact OE2-OE1 2.95Å; E349-K383 IonicContact OE1-NZ 3.57Å; E349-K383 PolarHBondContact OE1-NZ 2.91Å; E349-K383 IonicContact OE2-NZ 2.73Å; E349-F384 HydrophobicContact CG-CB 4.38Å; E349-F384 HydrophobicContact CG-CD2 3.67Å; E349-F384 HydrophobicContact CG-CE2 4.41Å; E349-F384 HydrophobicContact CG-CG 4.39Å; E349-F384 WeakPolarHBondContact O-CE2 3.26Å; E349-Q387 PolarHBondContact OE1-OE1 3Å
350	E	94.8	Very high	87.8	Confident	67 Å²	67	46.4 Å²	46.4	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-70.2	-37.6	-179.9	-177.7	55.7	-151.6	0	0	112.2	D347 P348 F353 Q354 Q387	D347-E350 HydrophobicContact CB-CB 4.43Å; D347-E350 PolarHBondContact O-N 3.04Å; D347-E350 VanDerWaalsContact O-N 3.09Å; P348-E350 VanDerWaalsContact C-N 3.32Å; P348-E350 PolarHBondContact O-N 3.17Å; E350-F353 WeakPolarHBondContact O-CB 3.33Å; E350-F353 PolarHBondContact O-N 3.49Å; E350-F353 WeakPolarHBondContact OE2-CD1 3.45Å; E350-Q354 WeakPolarHBondContact O-CB 3.38Å; E350-Q354 VanDerWaalsContact O-CG 3.27Å; E350-Q354 WeakPolarHBondContact O-CG 3.45Å; E350-Q354 PolarHBondContact O-N 2.92Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.33Å; E350-Q354 PolarHBondContact OE1-NE2 3.19Å; E350-Q387 PolarHBondContact OE2-NE2 2.96Å
351	L	95.8	Very high	89.3	Confident	21 Å²	21	41.1 Å²	41.1	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-43.4	176.4	-65.7	178.9	0	0	0	111.8	K327 L328 I331 D347 P348 Q354 Y355	K327-L351 HydrophobicContact CD-CD2 4.12Å; K327-L351 HydrophobicContact CG-CD1 4.28Å; L328-L351 HydrophobicContact CD2-CB 3.69Å; L328-L351 HydrophobicContact CD2-CD1 4.24Å; I331-L351 HydrophobicContact CD1-CD1 4.44Å; D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 3.02Å; P348-L351 PolarHBondContact O-N 3.47Å; L351-Q354 PolarHBondContact O-N 2.91Å; L351-Y355 WeakPolarHBondContact O-CB 3.21Å; L351-Y355 PolarHBondContact O-N 2.71Å
352	M	97.8	Very high	90.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-38.8	175.3	-68	174.3	71	0	0	111.3	L328 P348 E349 Y355 F356 L369 L376 F384	L328-M352 HydrophobicContact CD1-CG 4.14Å; L328-M352 HydrophobicContact CD2-CG 3.9Å; P348-M352 WeakPolarHBondContact O-CB 3.36Å; P348-M352 VanDerWaalsContact O-CG 3.24Å; P348-M352 WeakPolarHBondContact O-CG 3.2Å; P348-M352 PolarHBondContact O-N 2.72Å; E349-M352 PolarHBondContact O-N 3.27Å; M352-Y355 WeakPolarHBondContact O-CB 3.23Å; M352-Y355 PolarHBondContact O-N 2.98Å; M352-F356 WeakPolarHBondContact O-CB 3.21Å; M352-F356 PolarHBondContact O-N 3.46Å; M352-L369 HydrophobicContact CB-CD2 3.97Å; M352-L369 HydrophobicContact CE-CB 4.42Å; M352-L369 HydrophobicContact CE-CD2 4.07Å; M352-L369 HydrophobicContact CG-CD2 3.94Å; M352-L376 HydrophobicContact CE-CD1 3.87Å; M352-L376 HydrophobicContact CE-CG 4.26Å; M352-L376 HydrophobicContact SD-CD1 4.01Å; M352-L376 HydrophobicContact SD-CD2 3.94Å; M352-L376 HydrophobicContact SD-CG 3.8Å; M352-F384 HydrophobicContact CB-CE2 4.07Å; M352-F384 HydrophobicContact CB-CZ 3.74Å; M352-F384 HydrophobicContact CE-CE1 4.4Å; M352-F384 HydrophobicContact CE-CZ 4.4Å
353	F	98.1	Very high	92.2	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.053	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-43.9	173.8	173.1	-117.8	0	0	0	112.5	E349 E350 F356 K357 F384 Q387 L388 V391	E349-F353 WeakPolarHBondContact O-CB 3.34Å; E349-F353 PolarHBondContact O-N 2.65Å; E350-F353 WeakPolarHBondContact O-CB 3.33Å; E350-F353 PolarHBondContact O-N 3.49Å; E350-F353 WeakPolarHBondContact OE2-CD1 3.45Å; F353-F356 PolarHBondContact O-N 3.4Å; F353-K357 HydrophobicContact CE1-CD 4.12Å; F353-K357 VanDerWaalsContact CE1-CE 3.47Å; F353-K357 HydrophobicContact CZ-CD 4.15Å; F353-K357 PolarHBondContact O-N 3.26Å; F353-F384 HydrophobicContact CB-CE2 4.14Å; F353-Q387 VanDerWaalsContact CD1-NE2 3.33Å; F353-Q387 HydrophobicContact CD2-CG 3.89Å; F353-Q387 HydrophobicContact CE1-CG 4.37Å; F353-Q387 HydrophobicContact CE2-CG 3.73Å; F353-Q387 WeakPolarHBondContact CE2-O 3.37Å; F353-Q387 HydrophobicContact CG-CG 4.3Å; F353-Q387 HydrophobicContact CZ-CG 3.93Å; F353-L388 HydrophobicContact CD2-CD2 3.8Å; F353-V391 HydrophobicContact CE2-CG1 3.74Å; F353-V391 HydrophobicContact CE2-CG2 3.91Å; F353-V391 HydrophobicContact CZ-CG1 3.6Å
354	Q	96.7	Very high	93.8	Very high	90 Å²	90	40.7 Å²	40.7	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-66	-38.9	175.8	-72	174.6	16.4	0	0	112.1	E350 L351 K357 K358	E350-Q354 WeakPolarHBondContact O-CB 3.38Å; E350-Q354 VanDerWaalsContact O-CG 3.27Å; E350-Q354 WeakPolarHBondContact O-CG 3.45Å; E350-Q354 PolarHBondContact O-N 2.92Å; E350-Q354 WeakPolarHBondContact OE1-CG 3.33Å; E350-Q354 PolarHBondContact OE1-NE2 3.19Å; L351-Q354 PolarHBondContact O-N 2.91Å; Q354-K357 PolarHBondContact O-N 3.33Å; Q354-K358 PolarHBondContact O-N 3.42Å; Q354-K358 VanDerWaalsContact O-N 3.15Å
355	Y	97.9	Very high	95	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-48.3	172.6	-173.9	-94.9	0	0	0	111	H324 L325 L351 M352 K357 K358 F359 D368 L369	H324-Y355 HydrophobicContact CB-CD2 3.71Å; H324-Y355 HydrophobicContact CB-CE2 4.03Å; L325-Y355 HydrophobicContact CD2-CD2 4.18Å; L325-Y355 HydrophobicContact CD2-CE1 4.29Å; L325-Y355 HydrophobicContact CD2-CE2 3.62Å; L325-Y355 HydrophobicContact CG-CE2 3.96Å; L351-Y355 WeakPolarHBondContact O-CB 3.21Å; L351-Y355 PolarHBondContact O-N 2.71Å; M352-Y355 WeakPolarHBondContact O-CB 3.23Å; M352-Y355 PolarHBondContact O-N 2.98Å; Y355-K357 VanDerWaalsContact C-N 3.34Å; Y355-K357 PolarHBondContact O-N 2.89Å; Y355-K358 PolarHBondContact O-N 3.28Å; Y355-K358 VanDerWaalsContact O-N 3.12Å; Y355-F359 HydrophobicContact CD1-CD2 4.44Å; Y355-F359 AromaticContact CD2-CD2 3.62Å; Y355-F359 HydrophobicContact CD2-CD2 3.62Å; Y355-F359 AromaticContact CD2-CE2 3.99Å; Y355-F359 HydrophobicContact CD2-CE2 3.99Å; Y355-F359 HydrophobicContact CE1-CB 4.14Å; Y355-F359 HydrophobicContact CE1-CD2 4.26Å; Y355-F359 AromaticContact CE2-CD2 3.37Å; Y355-F359 HydrophobicContact CE2-CD2 3.37Å; Y355-F359 AromaticContact CE2-CE2 3.74Å; Y355-F359 HydrophobicContact CE2-CE2 3.74Å; Y355-F359 HydrophobicContact CE2-CG 4.19Å; Y355-F359 HydrophobicContact CG-CD2 4.15Å; Y355-F359 AromaticContact CZ-CD2 3.72Å; Y355-F359 PolarHBondContact O-N 3.31Å; Y355-D368 HydrophobicContact CE1-CB 3.89Å; Y355-D368 WeakPolarHBondContact OH-CB 3.29Å; Y355-D368 PolarHBondContact OH-OD2 2.87Å; Y355-L369 HydrophobicContact CD1-CD1 4.2Å; Y355-L369 HydrophobicContact CD1-CD2 3.7Å; Y355-L369 HydrophobicContact CD1-CG 3.8Å; Y355-L369 HydrophobicContact CE1-CD2 4.43Å; Y355-L369 HydrophobicContact CE1-CG 4.23Å; Y355-L369 HydrophobicContact CG-CD2 4.24Å
356	F	98.4	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-41.3	176	176	-94.8	0	0	0	112.4	M352 F353 K358 G360 L369 L388 V391 V392 Q413 C416 V417	M352-F356 WeakPolarHBondContact O-CB 3.21Å; M352-F356 PolarHBondContact O-N 3.46Å; F353-F356 PolarHBondContact O-N 3.4Å; F356-K358 VanDerWaalsContact C-N 3.25Å; F356-K358 PolarHBondContact O-N 2.91Å; F356-G360 WeakPolarHBondContact O-CA 3.44Å; F356-G360 PolarHBondContact O-N 2.92Å; F356-L369 HydrophobicContact CB-CD1 4.45Å; F356-L388 HydrophobicContact CB-CD2 3.59Å; F356-L388 HydrophobicContact CD1-CB 4.44Å; F356-L388 HydrophobicContact CD1-CD2 3.42Å; F356-L388 VanDerWaalsContact CD1-CD2 3.42Å; F356-L388 HydrophobicContact CD1-CG 4.49Å; F356-L388 HydrophobicContact CD2-CD2 4.17Å; F356-L388 HydrophobicContact CE1-CB 4.32Å; F356-L388 HydrophobicContact CE1-CD2 4.13Å; F356-L388 HydrophobicContact CG-CD2 3.46Å; F356-L388 VanDerWaalsContact CG-CD2 3.46Å; F356-V391 HydrophobicContact CD1-CG2 4.25Å; F356-V391 HydrophobicContact CE1-CG2 3.99Å; F356-V392 HydrophobicContact CE1-CG2 4.2Å; F356-V392 HydrophobicContact CZ-CG2 4.08Å; F356-Q413 HydrophobicContact CZ-CB 3.99Å; F356-Q413 HydrophobicContact CZ-CG 4.38Å; F356-Q413 WeakPolarHBondContact CZ-O 3.45Å; F356-C416 HydrophobicContact CE2-CB 4.02Å; F356-V417 HydrophobicContact CE1-CG2 4.19Å; F356-V417 HydrophobicContact CE2-CG2 3.73Å; F356-V417 HydrophobicContact CZ-CG2 3.39Å
357	K	97.5	Very high	96.5	Very high	99 Å²	99	39 Å²	39	43%	0.43	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-36.9	174.8	-83.5	-177.5	169.5	170.3	0	113.2	F353 Q354 Y355 V391	F353-K357 HydrophobicContact CE1-CD 4.12Å; F353-K357 VanDerWaalsContact CE1-CE 3.47Å; F353-K357 HydrophobicContact CZ-CD 4.15Å; F353-K357 PolarHBondContact O-N 3.26Å; Q354-K357 PolarHBondContact O-N 3.33Å; Y355-K357 VanDerWaalsContact C-N 3.34Å; Y355-K357 PolarHBondContact O-N 2.89Å; K357-V391 HydrophobicContact CG-CG2 4.27Å
358	K	96.1	Very high	96.9	Very high	89 Å²	89	36.1 Å²	36.1	39%	0.387	18%	0.183	S	C	.	.	H	α-helix	trans	-80.7	-44.1	-178.6	-76.2	173.5	171.2	-86.3	0	112.9	Q354 Y355 F356	Q354-K358 PolarHBondContact O-N 3.42Å; Q354-K358 VanDerWaalsContact O-N 3.15Å; Y355-K358 PolarHBondContact O-N 3.28Å; Y355-K358 VanDerWaalsContact O-N 3.12Å; F356-K358 VanDerWaalsContact C-N 3.25Å; F356-K358 PolarHBondContact O-N 2.91Å
359	F	97.4	Very high	97.1	Very high	7 Å²	7	36 Å²	36	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-117.7	2.3	-168.8	-58.4	-76.7	0	0	0	114.3	H319 L320 R321 H324 Y355 D361 K362 C365	H319-F359 HydrophobicContact CB-CE1 3.98Å; H319-F359 HydrophobicContact CB-CZ 4.35Å; L320-F359 WeakPolarHBondContact O-CZ 3.45Å; R321-F359 HydrophobicContact CG-CD1 3.8Å; R321-F359 HydrophobicContact CG-CE1 3.66Å; R321-F359 HydrophobicContact CG-CG 4.31Å; R321-F359 HydrophobicContact CG-CZ 4.06Å; H324-F359 AromaticContact CD2-CE2 3.48Å; H324-F359 VanDerWaalsContact CD2-CE2 3.48Å; H324-F359 WeakPolarHBondContact CD2-CE2 3.41Å; H324-F359 AromaticContact CD2-CZ 3.79Å; Y355-F359 HydrophobicContact CD1-CD2 4.44Å; Y355-F359 AromaticContact CD2-CD2 3.62Å; Y355-F359 HydrophobicContact CD2-CD2 3.62Å; Y355-F359 AromaticContact CD2-CE2 3.99Å; Y355-F359 HydrophobicContact CD2-CE2 3.99Å; Y355-F359 HydrophobicContact CE1-CB 4.14Å; Y355-F359 HydrophobicContact CE1-CD2 4.26Å; Y355-F359 AromaticContact CE2-CD2 3.37Å; Y355-F359 HydrophobicContact CE2-CD2 3.37Å; Y355-F359 AromaticContact CE2-CE2 3.74Å; Y355-F359 HydrophobicContact CE2-CE2 3.74Å; Y355-F359 HydrophobicContact CE2-CG 4.19Å; Y355-F359 HydrophobicContact CG-CD2 4.15Å; Y355-F359 AromaticContact CZ-CD2 3.72Å; Y355-F359 PolarHBondContact O-N 3.31Å; F359-D361 PolarHBondContact O-N 2.74Å; F359-D361 VanDerWaalsContact O-N 3.12Å; F359-K362 VanDerWaalsContact O-CB 3.29Å; F359-K362 WeakPolarHBondContact O-CB 3.29Å; F359-K362 PolarHBondContact O-N 3.43Å; F359-C365 WeakPolarHBondContact O-CB 3.34Å
360	G	97.5	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.1	-175.2	0	0	0	0	0	114.2	F356 K362 Q413	F356-G360 WeakPolarHBondContact O-CA 3.44Å; F356-G360 PolarHBondContact O-N 2.92Å; G360-K362 PolarHBondContact O-N 3.26Å; G360-Q413 WeakPolarHBondContact O-CA 3.25Å; G360-Q413 PolarHBondContact O-N 3.29Å
361	D	96.7	Very high	97.3	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.134	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.6	172.6	62.7	-91.8	0	0	0	114.7	F359 R409 Q412 Q413	F359-D361 PolarHBondContact O-N 2.74Å; F359-D361 VanDerWaalsContact O-N 3.12Å; D361-R409 HydrophobicContact CB-CB 4.31Å; D361-R409 HydrophobicContact CB-CG 3.21Å; D361-R409 IonicContact OD1-CZ 3.75Å; D361-R409 IonicContact OD1-NE 3.62Å; D361-R409 PolarHBondContact OD1-NE 2.8Å; D361-R409 IonicContact OD1-NH2 3.12Å; D361-R409 PolarHBondContact OD1-NH2 3.21Å; D361-R409 IonicContact OD2-NE 2.92Å; D361-Q412 WeakPolarHBondContact O-CG 3.4Å; D361-Q413 HydrophobicContact CB-CG 4.19Å
362	K	97.5	Very high	97.3	Very high	99 Å²	99	38.5 Å²	38.5	43%	0.43	20%	0.198	S	C	.	.	S	Bend	trans	-101.7	136.8	176	-53.1	-51.8	-178.2	-147.2	0	110.1	F359 G360 C364 C365	F359-K362 VanDerWaalsContact O-CB 3.29Å; F359-K362 WeakPolarHBondContact O-CB 3.29Å; F359-K362 PolarHBondContact O-N 3.43Å; G360-K362 PolarHBondContact O-N 3.26Å; K362-C364 PolarHBondContact O-N 3.12Å; K362-C365 WeakPolarHBondContact O-CB 3.49Å; K362-C365 PolarHBondContact O-N 3.3Å
363	P	96.7	Very high	97.1	Very high	88 Å²	88	40 Å²	40	57%	0.571	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.5	177.8	-27.9	35.2	0	0	0	115	C365	P363-C365 VanDerWaalsContact C-N 3.33Å; P363-C365 PolarHBondContact O-N 2.98Å
364	C	97.3	Very high	96.8	Very high	36 Å²	36	44.2 Å²	44.2	24%	0.243	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.3	179	54.4	0	0	0	0	114.7	R321 K362 F366 T367 D368	R321-C364 PolarHBondContact NH1-SG 2.83Å; K362-C364 PolarHBondContact O-N 3.12Å; C364-F366 PolarHBondContact O-N 2.8Å; C364-T367 PolarHBondContact O-N 2.9Å; C364-T367 VanDerWaalsContact O-N 3.11Å; C364-T367 PolarHBondContact O-OG1 2.73Å; C364-D368 WeakPolarHBondContact O-CB 3.36Å; C364-D368 PolarHBondContact O-N 3.25Å
365	C	98.5	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-40.5	-176.3	-173	0	0	0	0	112.3	F359 K362 P363 L369	F359-C365 WeakPolarHBondContact O-CB 3.34Å; K362-C365 WeakPolarHBondContact O-CB 3.49Å; K362-C365 PolarHBondContact O-N 3.3Å; P363-C365 VanDerWaalsContact C-N 3.33Å; P363-C365 PolarHBondContact O-N 2.98Å; C365-L369 WeakPolarHBondContact O-CB 3.47Å; C365-L369 WeakPolarHBondContact O-CG 3.47Å; C365-L369 PolarHBondContact O-N 3.21Å
366	F	98.2	Very high	96.2	Very high	8 Å²	8	41 Å²	41	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-51.3	175.3	171.4	-97	0	0	0	112.4	C364 D368 L369 K370 Q419 L420 L423 W664	C364-F366 PolarHBondContact O-N 2.8Å; F366-D368 PolarHBondContact O-N 2.7Å; F366-L369 PolarHBondContact O-N 3.2Å; F366-K370 HydrophobicContact CE1-CB 4.23Å; F366-K370 HydrophobicContact CE1-CD 3.82Å; F366-K370 HydrophobicContact CE1-CG 4.46Å; F366-K370 HydrophobicContact CZ-CB 4.16Å; F366-K370 HydrophobicContact CZ-CD 3.85Å; F366-K370 HydrophobicContact CZ-CG 4.23Å; F366-K370 VanDerWaalsContact O-CB 3.29Å; F366-K370 WeakPolarHBondContact O-CB 3.48Å; F366-K370 PolarHBondContact O-N 3.02Å; F366-Q419 HydrophobicContact CB-CB 4.46Å; F366-Q419 HydrophobicContact CD2-CB 3.52Å; F366-Q419 HydrophobicContact CE2-CB 3.97Å; F366-Q419 HydrophobicContact CG-CB 4.03Å; F366-L420 HydrophobicContact CD2-CD2 4Å; F366-L420 HydrophobicContact CD2-CG 4.31Å; F366-L420 HydrophobicContact CE2-CD2 4.36Å; F366-L423 HydrophobicContact CE2-CB 3.88Å; F366-L423 HydrophobicContact CE2-CD2 3.73Å; F366-L423 HydrophobicContact CE2-CG 4.29Å; F366-L423 HydrophobicContact CZ-CB 4.32Å; F366-L423 HydrophobicContact CZ-CD1 4.39Å; F366-L423 HydrophobicContact CZ-CD2 4.06Å; F366-L423 HydrophobicContact CZ-CG 4.49Å; F366-W664 AromaticContact CD1-CD1 3.71Å; F366-W664 AromaticContact CD1-NE1 3.93Å; F366-W664 AromaticContact CE1-CD1 3.36Å; F366-W664 HydrophobicContact CE1-CG 4.42Å; F366-W664 AromaticContact CE1-NE1 3.94Å; F366-W664 AromaticContact CE2-CD1 3.81Å; F366-W664 HydrophobicContact CZ-CB 4.29Å; F366-W664 AromaticContact CZ-CD1 3.42Å; F366-W664 VanDerWaalsContact CZ-CD1 3.42Å; F366-W664 HydrophobicContact CZ-CG 4.23Å
367	T	97.1	Very high	95.6	Very high	81 Å²	81	43.8 Å²	43.8	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-34	-175.8	51.8	0	0	0	0	111.9	C364	C364-T367 PolarHBondContact O-N 2.9Å; C364-T367 VanDerWaalsContact O-N 3.11Å; C364-T367 PolarHBondContact O-OG1 2.73Å
368	D	98	Very high	94.9	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-70.6	-41.3	177.8	-61.8	-15.2	0	0	0	111	R321 L325 Y355 C364 F366 V371 F372	R321-D368 WeakPolarHBondContact CD-OD2 3.44Å; R321-D368 IonicContact CZ-OD2 2.61Å; R321-D368 IonicContact NH1-OD1 2.68Å; R321-D368 PolarHBondContact NH1-OD1 3.28Å; R321-D368 IonicContact NH1-OD2 3.89Å; R321-D368 PolarHBondContact NH1-OD2 3.02Å; L325-D368 HydrophobicContact CD1-CB 4.13Å; L325-D368 HydrophobicContact CD2-CB 3.98Å; Y355-D368 HydrophobicContact CE1-CB 3.89Å; Y355-D368 WeakPolarHBondContact OH-CB 3.29Å; Y355-D368 PolarHBondContact OH-OD2 2.87Å; C364-D368 WeakPolarHBondContact O-CB 3.36Å; C364-D368 PolarHBondContact O-N 3.25Å; F366-D368 PolarHBondContact O-N 2.7Å; D368-V371 WeakPolarHBondContact O-CG2 3.4Å; D368-F372 VanDerWaalsContact O-CD2 3.22Å; D368-F372 WeakPolarHBondContact O-CD2 3.14Å
369	L	97.8	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-78.8	-27.9	176.9	-71.4	177.3	0	0	0	113.6	L328 M352 Y355 F356 C365 F366 V371 F372 V373 L420	L328-L369 HydrophobicContact CD1-CD2 4.41Å; M352-L369 HydrophobicContact CB-CD2 3.97Å; M352-L369 HydrophobicContact CE-CB 4.42Å; M352-L369 HydrophobicContact CE-CD2 4.07Å; M352-L369 HydrophobicContact CG-CD2 3.94Å; Y355-L369 HydrophobicContact CD1-CD1 4.2Å; Y355-L369 HydrophobicContact CD1-CD2 3.7Å; Y355-L369 HydrophobicContact CD1-CG 3.8Å; Y355-L369 HydrophobicContact CE1-CD2 4.43Å; Y355-L369 HydrophobicContact CE1-CG 4.23Å; Y355-L369 HydrophobicContact CG-CD2 4.24Å; F356-L369 HydrophobicContact CB-CD1 4.45Å; C365-L369 WeakPolarHBondContact O-CB 3.47Å; C365-L369 WeakPolarHBondContact O-CG 3.47Å; C365-L369 PolarHBondContact O-N 3.21Å; F366-L369 PolarHBondContact O-N 3.2Å; L369-V371 PolarHBondContact O-N 2.94Å; L369-F372 PolarHBondContact O-N 2.96Å; L369-V373 PolarHBondContact O-N 3.29Å; L369-L420 HydrophobicContact CB-CD2 4.24Å; L369-L420 HydrophobicContact CD1-CD1 4.03Å
370	K	96.3	Very high	94	Very high	59 Å²	59	47.9 Å²	47.9	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-53	-41.7	-178.7	175.8	175.5	-177.4	174.2	0	111	F366 F372 V373 L423 S663 D670	F366-K370 HydrophobicContact CE1-CB 4.23Å; F366-K370 HydrophobicContact CE1-CD 3.82Å; F366-K370 HydrophobicContact CE1-CG 4.46Å; F366-K370 HydrophobicContact CZ-CB 4.16Å; F366-K370 HydrophobicContact CZ-CD 3.85Å; F366-K370 HydrophobicContact CZ-CG 4.23Å; F366-K370 VanDerWaalsContact O-CB 3.29Å; F366-K370 WeakPolarHBondContact O-CB 3.48Å; F366-K370 PolarHBondContact O-N 3.02Å; K370-F372 VanDerWaalsContact C-N 3.26Å; K370-F372 PolarHBondContact O-N 3.28Å; K370-V373 WeakPolarHBondContact O-CG1 3.34Å; K370-L423 HydrophobicContact CB-CD2 4Å; K370-L423 HydrophobicContact CD-CD1 4.41Å; K370-L423 HydrophobicContact CG-CD1 4.12Å; K370-L423 HydrophobicContact CG-CD2 3.9Å; K370-S663 PolarHBondContact NZ-O 2.89Å; K370-D670 IonicContact NZ-OD2 3.2Å; K370-D670 PolarHBondContact NZ-OD2 3.34Å; K370-D670 VanDerWaalsContact NZ-OD2 3.1Å
371	V	95.3	Very high	93.7	Very high	87 Å²	87	48.5 Å²	48.5	53%	0.527	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.8	-178.1	-56.4	0	0	0	0	112.6	R332 D368 L369	R332-V371 PolarHBondContact NH2-O 3.04Å; D368-V371 WeakPolarHBondContact O-CG2 3.4Å; L369-V371 PolarHBondContact O-N 2.94Å
372	F	96	Very high	93.6	Very high	2 Å²	2	51 Å²	51	1%	0.009	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.8	-176	-61.3	-70.7	0	0	0	115.6	W263 L325 L328 E329 R332 D368 L369 K370 D374 L375	W263-F372 HydrophobicContact CH2-CZ 4.05Å; W263-F372 HydrophobicContact CZ2-CZ 4.25Å; L325-F372 HydrophobicContact CB-CE2 4.26Å; L325-F372 HydrophobicContact CD2-CD2 4.32Å; L325-F372 HydrophobicContact CD2-CE2 3.88Å; L328-F372 HydrophobicContact CB-CD1 3.76Å; L328-F372 HydrophobicContact CB-CD2 4.21Å; L328-F372 HydrophobicContact CB-CE1 3.92Å; L328-F372 HydrophobicContact CB-CE2 4.37Å; L328-F372 HydrophobicContact CB-CG 3.94Å; L328-F372 HydrophobicContact CB-CZ 4.24Å; L328-F372 HydrophobicContact CD1-CB 4.36Å; L328-F372 HydrophobicContact CD1-CD2 4Å; L328-F372 HydrophobicContact CD1-CG 4.15Å; E329-F372 HydrophobicContact CB-CE1 3.94Å; E329-F372 HydrophobicContact CB-CZ 4.2Å; E329-F372 WeakPolarHBondContact OE2-CE1 3.33Å; R332-F372 VanDerWaalsContact CZ-CD1 3.47Å; R332-F372 VanDerWaalsContact NH1-CD1 3.35Å; R332-F372 VanDerWaalsContact NH2-CA 3.28Å; R332-F372 VanDerWaalsContact NH2-CD1 3.33Å; D368-F372 VanDerWaalsContact O-CD2 3.22Å; D368-F372 WeakPolarHBondContact O-CD2 3.14Å; L369-F372 PolarHBondContact O-N 2.96Å; K370-F372 VanDerWaalsContact C-N 3.26Å; K370-F372 PolarHBondContact O-N 3.28Å; F372-D374 PolarHBondContact O-N 3.05Å; F372-L375 HydrophobicContact CB-CD1 4.27Å; F372-L375 HydrophobicContact CD1-CD1 4.25Å; F372-L375 WeakPolarHBondContact O-CB 3.34Å; F372-L375 PolarHBondContact O-N 3.25Å; F372-L375 VanDerWaalsContact O-N 3.12Å
373	V	93.5	Very high	93.5	Very high	32 Å²	32	52.2 Å²	52.2	19%	0.194	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.6	-20.8	-176.5	77.1	0	0	0	0	113.7	L369 K370 L375 L376 L423 L424	L369-V373 PolarHBondContact O-N 3.29Å; K370-V373 WeakPolarHBondContact O-CG1 3.34Å; V373-L375 PolarHBondContact O-N 3.18Å; V373-L376 HydrophobicContact CG2-CD1 4.33Å; V373-L376 WeakPolarHBondContact O-CB 3.5Å; V373-L376 PolarHBondContact O-N 3.24Å; V373-L376 VanDerWaalsContact O-N 3.15Å; V373-L423 HydrophobicContact CB-CD2 4.28Å; V373-L423 HydrophobicContact CG1-CD2 4.16Å; V373-L423 HydrophobicContact CG2-CD2 4.3Å; V373-L424 HydrophobicContact CG2-CD2 3.21Å; V373-L424 HydrophobicContact CG2-CG 4.17Å
374	D	91.6	Very high	93.5	Very high	101 Å²	101	48 Å²	48	54%	0.54	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.5	174.4	65.3	-30.4	0	0	0	113.5	R332 F372 L376	R332-D374 IonicContact CZ-OD1 3.69Å; R332-D374 IonicContact CZ-OD2 3.69Å; R332-D374 IonicContact NE-OD1 2.87Å; R332-D374 IonicContact NE-OD2 3.7Å; R332-D374 IonicContact NH2-OD1 2.93Å; R332-D374 PolarHBondContact NH2-OD1 3.34Å; R332-D374 IonicContact NH2-OD2 3.43Å; F372-D374 PolarHBondContact O-N 3.05Å; D374-L376 PolarHBondContact O-N 3.33Å
375	L	91.7	Very high	93.5	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-73.3	-16.6	174.2	-66.5	171.5	0	0	0	113.1	L328 I331 R332 R335 P348 F372 V373	L328-L375 HydrophobicContact CD2-CD1 4.43Å; I331-L375 HydrophobicContact CG2-CD1 4.14Å; R332-L375 HydrophobicContact CB-CD1 4.4Å; R332-L375 HydrophobicContact CB-CD2 3.93Å; R332-L375 HydrophobicContact CG-CD2 4.39Å; R335-L375 PolarHBondContact NH1-O 2.9Å; P348-L375 HydrophobicContact CB-CB 3.79Å; P348-L375 HydrophobicContact CB-CD1 4.28Å; P348-L375 HydrophobicContact CG-CB 4.18Å; F372-L375 HydrophobicContact CB-CD1 4.27Å; F372-L375 HydrophobicContact CD1-CD1 4.25Å; F372-L375 WeakPolarHBondContact O-CB 3.34Å; F372-L375 PolarHBondContact O-N 3.25Å; F372-L375 VanDerWaalsContact O-N 3.12Å; V373-L375 PolarHBondContact O-N 3.18Å
376	L	91.1	Very high	93.4	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.079	30%	0.295	C	S	.	.	S	Bend	trans	-87.1	125.9	177.9	-62.6	177.2	0	0	0	110.6	E349 M352 V373 D374 F384	E349-L376 HydrophobicContact CB-CD2 3.96Å; E349-L376 HydrophobicContact CG-CD2 4.39Å; M352-L376 HydrophobicContact CE-CD1 3.87Å; M352-L376 HydrophobicContact CE-CG 4.26Å; M352-L376 HydrophobicContact SD-CD1 4.01Å; M352-L376 HydrophobicContact SD-CD2 3.94Å; M352-L376 HydrophobicContact SD-CG 3.8Å; V373-L376 HydrophobicContact CG2-CD1 4.33Å; V373-L376 WeakPolarHBondContact O-CB 3.5Å; V373-L376 PolarHBondContact O-N 3.24Å; V373-L376 VanDerWaalsContact O-N 3.15Å; D374-L376 PolarHBondContact O-N 3.33Å; L376-F384 HydrophobicContact CD1-CD1 3.56Å; L376-F384 HydrophobicContact CD1-CE1 3.75Å; L376-F384 HydrophobicContact CD1-CG 4.11Å; L376-F384 HydrophobicContact CD1-CZ 4.44Å
377	P	86	Confident	93.3	Very high	59 Å²	59	53.5 Å²	53.5	38%	0.383	31%	0.305	S	S	.	.			trans	-60.2	139.2	167	-21.1	32.2	0	0	0	111.6	T379 Q380	P377-T379 PolarHBondContact O-N 2.99Å; P377-Q380 HydrophobicContact CB-CG 4.46Å; P377-Q380 PolarHBondContact O-N 2.66Å
378	A	82.3	Confident	93.4	Very high	91 Å²	91	49.7 Å²	49.7	75%	0.752	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.6	179	0	0	0	0	0	113.5	Q380 C381	A378-Q380 VanDerWaalsContact C-N 3.26Å; A378-Q380 PolarHBondContact O-N 2.96Å; A378-C381 PolarHBondContact O-SG 3.43Å
379	T	85.6	Confident	93.3	Very high	130 Å²	130	51.4 Å²	51.4	80%	0.798	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.7	178.6	53.9	0	0	0	0	113.9	P377	P377-T379 PolarHBondContact O-N 2.99Å
380	Q	89.4	Confident	93.1	Very high	59 Å²	59	54.7 Å²	54.7	28%	0.276	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.9	-175.8	-72.7	176.7	-14.3	0	0	113.1	E349 P377 A378 T382 K383 F384	E349-Q380 PolarHBondContact OE2-OE1 2.95Å; P377-Q380 HydrophobicContact CB-CG 4.46Å; P377-Q380 PolarHBondContact O-N 2.66Å; A378-Q380 VanDerWaalsContact C-N 3.26Å; A378-Q380 PolarHBondContact O-N 2.96Å; Q380-T382 PolarHBondContact O-N 3.37Å; Q380-K383 WeakPolarHBondContact O-CB 3.48Å; Q380-K383 PolarHBondContact O-N 3.44Å; Q380-F384 WeakPolarHBondContact O-CB 3.42Å; Q380-F384 PolarHBondContact O-N 3.49Å
381	C	92.2	Very high	93.1	Very high	13 Å²	13	54.3 Å²	54.3	9%	0.088	33%	0.327	C	S	.	.	H	α-helix	trans	-51.4	-50	-176	-62.1	0	0	0	0	113.5	A378 K383 F384 I385 L424	A378-C381 PolarHBondContact O-SG 3.43Å; C381-K383 PolarHBondContact O-N 3.24Å; C381-F384 PolarHBondContact O-N 3Å; C381-I385 WeakPolarHBondContact O-CG1 3.48Å; C381-I385 PolarHBondContact O-N 3.31Å; C381-L424 HydrophobicContact CB-CB 4.19Å; C381-L424 HydrophobicContact CB-CD1 4.02Å; C381-L424 HydrophobicContact CB-CD2 4.24Å; C381-L424 HydrophobicContact CB-CG 4.4Å
382	T	93.9	Very high	93.2	Very high	77 Å²	77	50.7 Å²	50.7	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-40.1	178.9	-52.1	0	0	0	0	112.2	Q380 N386	Q380-T382 PolarHBondContact O-N 3.37Å; T382-N386 PolarHBondContact O-N 2.89Å; T382-N386 VanDerWaalsContact O-N 3.11Å; T382-N386 PolarHBondContact O-ND2 3.24Å
383	K	94.8	Very high	93	Very high	125 Å²	125	54.1 Å²	54.1	54%	0.543	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-44.3	178	-178	-170.2	165.9	-119.9	0	110.8	E349 Q380 C381 N386 Q387	E349-K383 IonicContact OE1-NZ 3.57Å; E349-K383 PolarHBondContact OE1-NZ 2.91Å; E349-K383 IonicContact OE2-NZ 2.73Å; Q380-K383 WeakPolarHBondContact O-CB 3.48Å; Q380-K383 PolarHBondContact O-N 3.44Å; C381-K383 PolarHBondContact O-N 3.24Å; K383-N386 PolarHBondContact O-N 3.18Å; K383-Q387 PolarHBondContact O-N 3.48Å
384	F	96.7	Very high	93	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.9	177.5	-116.9	0	0	0	111.9	E349 M352 F353 L376 Q380 C381 N386 Q387 L388 L424	E349-F384 HydrophobicContact CG-CB 4.38Å; E349-F384 HydrophobicContact CG-CD2 3.67Å; E349-F384 HydrophobicContact CG-CE2 4.41Å; E349-F384 HydrophobicContact CG-CG 4.39Å; E349-F384 WeakPolarHBondContact O-CE2 3.26Å; M352-F384 HydrophobicContact CB-CE2 4.07Å; M352-F384 HydrophobicContact CB-CZ 3.74Å; M352-F384 HydrophobicContact CE-CE1 4.4Å; M352-F384 HydrophobicContact CE-CZ 4.4Å; F353-F384 HydrophobicContact CB-CE2 4.14Å; L376-F384 HydrophobicContact CD1-CD1 3.56Å; L376-F384 HydrophobicContact CD1-CE1 3.75Å; L376-F384 HydrophobicContact CD1-CG 4.11Å; L376-F384 HydrophobicContact CD1-CZ 4.44Å; Q380-F384 WeakPolarHBondContact O-CB 3.42Å; Q380-F384 PolarHBondContact O-N 3.49Å; C381-F384 PolarHBondContact O-N 3Å; F384-N386 VanDerWaalsContact C-N 3.34Å; F384-N386 PolarHBondContact O-N 3.37Å; F384-Q387 WeakPolarHBondContact O-CB 3.48Å; F384-Q387 PolarHBondContact O-N 3.17Å; F384-Q387 VanDerWaalsContact O-N 3.15Å; F384-L388 HydrophobicContact CD1-CD1 4.01Å; F384-L388 HydrophobicContact CD2-CG 4.5Å; F384-L388 HydrophobicContact CE1-CD1 3.56Å; F384-L388 HydrophobicContact CE1-CG 4.31Å; F384-L388 HydrophobicContact CE2-CD1 4.29Å; F384-L388 HydrophobicContact CE2-CD2 4.12Å; F384-L388 HydrophobicContact CE2-CG 4.18Å; F384-L388 HydrophobicContact CZ-CD1 3.72Å; F384-L388 HydrophobicContact CZ-CD2 4.02Å; F384-L388 HydrophobicContact CZ-CG 4.08Å; F384-L388 WeakPolarHBondContact O-CG 3.28Å; F384-L388 PolarHBondContact O-N 3.15Å; F384-L424 HydrophobicContact CD1-CD1 4.31Å
385	I	97.6	Very high	92.9	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-44.5	175	-68.8	-56.9	0	0	0	111.7	C381 Q387 L388 L389 V417 L420 T421 L424 L426	C381-I385 WeakPolarHBondContact O-CG1 3.48Å; C381-I385 PolarHBondContact O-N 3.31Å; I385-Q387 VanDerWaalsContact C-N 3.29Å; I385-Q387 PolarHBondContact O-N 3.18Å; I385-L388 HydrophobicContact CD1-CD1 4.17Å; I385-L388 PolarHBondContact O-N 3.45Å; I385-L389 HydrophobicContact CG2-CD1 4.27Å; I385-L389 HydrophobicContact CG2-CG 4.49Å; I385-L389 WeakPolarHBondContact O-CG 3.49Å; I385-L389 PolarHBondContact O-N 3.36Å; I385-V417 HydrophobicContact CD1-CG1 4.4Å; I385-V417 HydrophobicContact CG2-CG1 4.01Å; I385-L420 HydrophobicContact CD1-CB 3.82Å; I385-T421 WeakPolarHBondContact CG2-OG1 3.17Å; I385-L424 HydrophobicContact CD1-CD1 3.8Å; I385-L424 HydrophobicContact CG1-CD1 3.79Å; I385-L426 HydrophobicContact CB-CD1 4.46Å; I385-L426 HydrophobicContact CG1-CD1 3.97Å
386	N	96.1	Very high	92.3	Very high	99 Å²	99	58.1 Å²	58.1	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-37.1	177	-72.1	-25.3	0	0	0	112.3	T382 K383 F384 L389 G390	T382-N386 PolarHBondContact O-N 2.89Å; T382-N386 VanDerWaalsContact O-N 3.11Å; T382-N386 PolarHBondContact O-ND2 3.24Å; K383-N386 PolarHBondContact O-N 3.18Å; F384-N386 VanDerWaalsContact C-N 3.34Å; F384-N386 PolarHBondContact O-N 3.37Å; N386-L389 PolarHBondContact O-N 2.66Å; N386-G390 PolarHBondContact O-N 3.47Å; N386-G390 VanDerWaalsContact O-N 3.12Å
387	Q	97.2	Very high	91.6	Very high	53 Å²	53	62.2 Å²	62.2	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-43	174.6	-172.3	-174.1	4.6	0	0	111.7	E349 E350 F353 K383 F384 I385 G390	E349-Q387 PolarHBondContact OE1-OE1 3Å; E350-Q387 PolarHBondContact OE2-NE2 2.96Å; F353-Q387 VanDerWaalsContact CD1-NE2 3.33Å; F353-Q387 HydrophobicContact CD2-CG 3.89Å; F353-Q387 HydrophobicContact CE1-CG 4.37Å; F353-Q387 HydrophobicContact CE2-CG 3.73Å; F353-Q387 WeakPolarHBondContact CE2-O 3.37Å; F353-Q387 HydrophobicContact CG-CG 4.3Å; F353-Q387 HydrophobicContact CZ-CG 3.93Å; K383-Q387 PolarHBondContact O-N 3.48Å; F384-Q387 WeakPolarHBondContact O-CB 3.48Å; F384-Q387 PolarHBondContact O-N 3.17Å; F384-Q387 VanDerWaalsContact O-N 3.15Å; I385-Q387 VanDerWaalsContact C-N 3.29Å; I385-Q387 PolarHBondContact O-N 3.18Å; Q387-G390 PolarHBondContact O-N 3.14Å
388	L	97.8	Very high	90.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-44.5	175.9	-64.7	171.7	0	0	0	111.7	F353 F356 F384 I385 G390 V391 V417 L420	F353-L388 HydrophobicContact CD2-CD2 3.8Å; F356-L388 HydrophobicContact CB-CD2 3.59Å; F356-L388 HydrophobicContact CD1-CB 4.44Å; F356-L388 HydrophobicContact CD1-CD2 3.42Å; F356-L388 VanDerWaalsContact CD1-CD2 3.42Å; F356-L388 HydrophobicContact CD1-CG 4.49Å; F356-L388 HydrophobicContact CD2-CD2 4.17Å; F356-L388 HydrophobicContact CE1-CB 4.32Å; F356-L388 HydrophobicContact CE1-CD2 4.13Å; F356-L388 HydrophobicContact CG-CD2 3.46Å; F356-L388 VanDerWaalsContact CG-CD2 3.46Å; F384-L388 HydrophobicContact CD1-CD1 4.01Å; F384-L388 HydrophobicContact CD2-CG 4.5Å; F384-L388 HydrophobicContact CE1-CD1 3.56Å; F384-L388 HydrophobicContact CE1-CG 4.31Å; F384-L388 HydrophobicContact CE2-CD1 4.29Å; F384-L388 HydrophobicContact CE2-CD2 4.12Å; F384-L388 HydrophobicContact CE2-CG 4.18Å; F384-L388 HydrophobicContact CZ-CD1 3.72Å; F384-L388 HydrophobicContact CZ-CD2 4.02Å; F384-L388 HydrophobicContact CZ-CG 4.08Å; F384-L388 WeakPolarHBondContact O-CG 3.28Å; F384-L388 PolarHBondContact O-N 3.15Å; I385-L388 HydrophobicContact CD1-CD1 4.17Å; I385-L388 PolarHBondContact O-N 3.45Å; L388-G390 PolarHBondContact O-N 3.32Å; L388-V391 WeakPolarHBondContact O-CG2 3.38Å; L388-V391 PolarHBondContact O-N 3.29Å; L388-V417 HydrophobicContact CB-CG1 4.33Å; L388-V417 HydrophobicContact CB-CG2 3.84Å; L388-L420 HydrophobicContact CD1-CD1 3.8Å
389	L	96.2	Very high	89.7	Confident	58 Å²	58	68.5 Å²	68.5	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-37.7	176.7	-75.1	175.8	0	0	0	112.1	I385 N386 V391 V392 V417	I385-L389 HydrophobicContact CG2-CD1 4.27Å; I385-L389 HydrophobicContact CG2-CG 4.49Å; I385-L389 WeakPolarHBondContact O-CG 3.49Å; I385-L389 PolarHBondContact O-N 3.36Å; N386-L389 PolarHBondContact O-N 2.66Å; L389-V391 PolarHBondContact O-N 3.47Å; L389-V392 PolarHBondContact O-N 3.49Å; L389-V392 VanDerWaalsContact O-N 3.15Å; L389-V417 HydrophobicContact CD2-CB 4.2Å; L389-V417 HydrophobicContact CD2-CG1 3.58Å; L389-V417 HydrophobicContact CG-CG1 3.76Å
390	G	94.9	Very high	88.7	Confident	69 Å²	69	69.7 Å²	69.7	71%	0.711	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.8	-177.8	0	0	0	0	0	115.5	N386 Q387 L388	N386-G390 PolarHBondContact O-N 3.47Å; N386-G390 VanDerWaalsContact O-N 3.12Å; Q387-G390 PolarHBondContact O-N 3.14Å; L388-G390 PolarHBondContact O-N 3.32Å
391	V	96.1	Very high	88	Confident	51 Å²	51	74.2 Å²	74.2	31%	0.309	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-5.8	178.7	-58.3	0	0	0	0	113.7	F353 F356 K357 L388 L389 P393	F353-V391 HydrophobicContact CE2-CG1 3.74Å; F353-V391 HydrophobicContact CE2-CG2 3.91Å; F353-V391 HydrophobicContact CZ-CG1 3.6Å; F356-V391 HydrophobicContact CD1-CG2 4.25Å; F356-V391 HydrophobicContact CE1-CG2 3.99Å; K357-V391 HydrophobicContact CG-CG2 4.27Å; L388-V391 WeakPolarHBondContact O-CG2 3.38Å; L388-V391 PolarHBondContact O-N 3.29Å; L389-V391 PolarHBondContact O-N 3.47Å; V391-P393 WeakPolarHBondContact O-CD 3.46Å
392	V	96.1	Very high	87.7	Confident	11 Å²	11	76.4 Å²	76.4	7%	0.067	43%	0.429	C	S	.	.	S	Bend	trans	-79	125.8	177.1	-175.3	0	0	0	0	109	F356 L389 L394 A410 Q413 H414 V417	F356-V392 HydrophobicContact CE1-CG2 4.2Å; F356-V392 HydrophobicContact CZ-CG2 4.08Å; L389-V392 PolarHBondContact O-N 3.49Å; L389-V392 VanDerWaalsContact O-N 3.15Å; V392-L394 HydrophobicContact CB-CG 4.34Å; V392-L394 HydrophobicContact CG1-CD2 3.87Å; V392-L394 HydrophobicContact CG1-CG 4.03Å; V392-L394 PolarHBondContact O-N 3.13Å; V392-A410 WeakPolarHBondContact CG1-O 3.36Å; V392-Q413 HydrophobicContact CG1-CB 4.19Å; V392-Q413 HydrophobicContact CG2-CB 4.18Å; V392-H414 HydrophobicContact CG1-CB 4Å; V392-V417 HydrophobicContact CG2-CG2 4.2Å
393	P	93.3	Very high	87.5	Confident	74 Å²	74	73.5 Å²	73.5	48%	0.481	41%	0.412	S	S	.	.			trans	-69.8	86.9	177.4	-19	32.8	0	0	0	112.2	V391 A410	V391-P393 WeakPolarHBondContact O-CD 3.46Å; P393-A410 HydrophobicContact CB-CB 4.27Å; P393-A410 HydrophobicContact CG-CB 4.42Å
394	L	92.8	Very high	87.4	Confident	54 Å²	54	69.7 Å²	69.7	28%	0.283	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-102	152.4	174.4	-57.4	178.1	0	0	0	111.1	V392 A403 P405 H414	V392-L394 HydrophobicContact CB-CG 4.34Å; V392-L394 HydrophobicContact CG1-CD2 3.87Å; V392-L394 HydrophobicContact CG1-CG 4.03Å; V392-L394 PolarHBondContact O-N 3.13Å; L394-A403 HydrophobicContact CB-CB 4.11Å; L394-A403 HydrophobicContact CD1-CB 4.36Å; L394-P405 HydrophobicContact CD2-CB 4.21Å; L394-H414 HydrophobicContact CD2-CB 4.42Å
395	S	88.8	Confident	87.3	Confident	54 Å²	54	69.9 Å²	69.9	38%	0.378	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.9	155.2	172.3	65.2	0	0	0	0	111.8	P397 A403 L404	S395-P397 WeakPolarHBondContact O-CD 3.39Å; S395-A403 WeakPolarHBondContact O-CB 3.34Å; S395-L404 PolarHBondContact N-O 3.06Å; S395-L404 PolarHBondContact OG-N 3.15Å; S395-L404 PolarHBondContact OG-O 2.87Å
396	T	79.5	Confident	87	Confident	121 Å²	121	73.2 Å²	73.2	74%	0.742	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.5	121.8	177.9	49	0	0	0	0	110.2	T398	T396-T398 PolarHBondContact O-N 3.41Å
397	P	75.6	Confident	87	Confident	101 Å²	101	72.2 Å²	72.2	66%	0.656	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-65.8	127.2	174.2	26.2	-31	0	0	0	109.1	S395 A403	S395-P397 WeakPolarHBondContact O-CD 3.39Å; P397-A403 HydrophobicContact CB-CB 4.35Å
398	T	71.5	Confident	86.9	Confident	79 Å²	79	72.9 Å²	72.9	49%	0.485	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-103.5	157.5	165.5	54.4	0	0	0	0	108.5	T396 D400 K401	T396-T398 PolarHBondContact O-N 3.41Å; T398-D400 PolarHBondContact O-N 2.73Å; T398-K401 PolarHBondContact N-O 2.8Å; T398-K401 PolarHBondContact O-N 3.17Å; T398-K401 WeakPolarHBondContact OG1-CB 3.4Å
399	E	57.3	Low	86.9	Confident	203 Å²	203	79.2 Å²	79.2	95%	0.949	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-29.6	-175.4	-158.4	171.9	179.1	0	0	113.7
400	D	64.4	Low	86.9	Confident	155 Å²	155	76.5 Å²	76.5	83%	0.829	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	2.6	179.8	-58.8	-47.7	0	0	0	116.2	T398	T398-D400 PolarHBondContact O-N 2.73Å
401	K	74.8	Confident	87.1	Confident	154 Å²	154	73.2 Å²	73.2	67%	0.67	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-136.9	129.6	-175.2	-59.7	-176.1	-179.3	179.5	0	113.4	T398	T398-K401 PolarHBondContact N-O 2.8Å; T398-K401 PolarHBondContact O-N 3.17Å; T398-K401 WeakPolarHBondContact OG1-CB 3.4Å
402	L	86.7	Confident	87.2	Confident	59 Å²	59	72 Å²	72	31%	0.309	39%	0.394	S	S	.	.			trans	-60.6	140.1	174.2	-171.8	66.5	0	0	0	110.9	L404 E441 L444 R445	L402-L404 HydrophobicContact CD2-CD2 4.24Å; L402-L404 PolarHBondContact O-N 2.91Å; L402-E441 HydrophobicContact CD1-CG 3.7Å; L402-E441 HydrophobicContact CD2-CG 3.55Å; L402-E441 HydrophobicContact CG-CG 4.25Å; L402-L444 HydrophobicContact CD2-CB 4.1Å; L402-L444 HydrophobicContact CD2-CD1 4.37Å; L402-R445 HydrophobicContact CD2-CG 4.09Å; L402-R445 VanDerWaalsContact CD2-NE 3.33Å
403	A	90.2	Very high	87.3	Confident	15 Å²	15	72.2 Å²	72.2	12%	0.124	39%	0.394	C	S	.	.			trans	-65.8	129	170.2	0	0	0	0	0	109.6	L394 S395 P397 R445	L394-A403 HydrophobicContact CB-CB 4.11Å; L394-A403 HydrophobicContact CD1-CB 4.36Å; S395-A403 WeakPolarHBondContact O-CB 3.34Å; P397-A403 HydrophobicContact CB-CB 4.35Å; A403-R445 PolarHBondContact O-NE 3.41Å; A403-R445 PolarHBondContact O-NH2 3.22Å
404	L	93.1	Very high	87.6	Confident	46 Å²	46	69.1 Å²	69.1	24%	0.241	37%	0.373	C	S	.	.			trans	-124.3	147.7	-174.1	-64	170.5	0	0	0	110.3	S395 L402 R445 H448	S395-L404 PolarHBondContact N-O 3.06Å; S395-L404 PolarHBondContact OG-N 3.15Å; S395-L404 PolarHBondContact OG-O 2.87Å; L402-L404 HydrophobicContact CD2-CD2 4.24Å; L402-L404 PolarHBondContact O-N 2.91Å; L404-R445 VanDerWaalsContact CD2-CD 3.5Å; L404-H448 HydrophobicContact CD1-CB 4.48Å; L404-H448 HydrophobicContact CD2-CB 4.21Å
405	P	94	Very high	87.8	Confident	4 Å²	4	66.6 Å²	66.6	3%	0.026	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-69.7	143.3	175.9	29.4	-34.3	0	0	0	111.2	L394 A410 L411 H448	L394-P405 HydrophobicContact CD2-CB 4.21Å; P405-A410 HydrophobicContact CB-CB 4.02Å; P405-L411 HydrophobicContact CB-CB 3.94Å; P405-L411 HydrophobicContact CG-CB 3.82Å; P405-L411 HydrophobicContact CG-CD1 4.22Å; P405-L411 HydrophobicContact CG-CG 4.09Å; P405-H448 PolarHBondContact O-CE1 3.34Å
406	A	91.3	Very high	88.3	Confident	78 Å²	78	64.1 Å²	64.1	65%	0.645	34%	0.342	S	S	*	.	S	Bend	trans	-86.2	-23.1	-178.8	0	0	0	0	0	114.4	F452	A406-F452 WeakPolarHBondContact O-CE1 3.42Å
407	D	94.9	Very high	89.2	Confident	77 Å²	77	58.4 Å²	58.4	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-146.1	173.9	-178.1	64.1	36.4	0	0	0	111.7	R409 A410 L411	D407-R409 PolarHBondContact O-N 2.86Å; D407-R409 WeakPolarHBondContact OD1-CA 3.45Å; D407-R409 VanDerWaalsContact OD1-CB 3.23Å; D407-R409 WeakPolarHBondContact OD1-CB 3.44Å; D407-R409 PolarHBondContact OD1-N 2.92Å; D407-A410 PolarHBondContact O-N 3.46Å; D407-A410 WeakPolarHBondContact OD1-CB 3.36Å; D407-A410 PolarHBondContact OD1-N 2.84Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 3.48Å
408	I	96.3	Very high	90.3	Very high	68 Å²	68	53.8 Å²	53.8	35%	0.349	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-32.3	-179.1	-58.5	162.5	0	0	0	111.2	L411 Q412 F452 F463	I408-L411 PolarHBondContact O-N 2.99Å; I408-Q412 WeakPolarHBondContact O-CB 3.22Å; I408-Q412 PolarHBondContact O-N 3.39Å; I408-F452 HydrophobicContact CD1-CB 4.37Å; I408-F452 HydrophobicContact CG1-CB 3.75Å; I408-F452 HydrophobicContact CG1-CG 4.16Å; I408-F463 HydrophobicContact CD1-CD2 4.09Å; I408-F463 HydrophobicContact CD1-CE1 4.4Å; I408-F463 HydrophobicContact CD1-CE2 3.67Å; I408-F463 HydrophobicContact CD1-CZ 3.85Å; I408-F463 HydrophobicContact CG1-CD2 4.08Å; I408-F463 HydrophobicContact CG1-CE2 4.19Å; I408-F463 HydrophobicContact CG1-CG 4.38Å; I408-F463 HydrophobicContact CG2-CB 4.24Å; I408-F463 HydrophobicContact CG2-CD1 3.56Å; I408-F463 HydrophobicContact CG2-CD2 4.29Å; I408-F463 HydrophobicContact CG2-CE1 3.93Å; I408-F463 HydrophobicContact CG2-CG 3.77Å; I408-F463 HydrophobicContact CG2-CZ 4.43Å
409	R	97.3	Very high	91.6	Very high	132 Å²	132	50.3 Å²	50.3	50%	0.498	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-52.1	-178.2	-167.4	-170.2	-178.5	-176	-1.7	110.5	D361 D407 L411 Q412 Q413	D361-R409 HydrophobicContact CB-CB 4.31Å; D361-R409 HydrophobicContact CB-CG 3.21Å; D361-R409 IonicContact OD1-CZ 3.75Å; D361-R409 IonicContact OD1-NE 3.62Å; D361-R409 PolarHBondContact OD1-NE 2.8Å; D361-R409 IonicContact OD1-NH2 3.12Å; D361-R409 PolarHBondContact OD1-NH2 3.21Å; D361-R409 IonicContact OD2-NE 2.92Å; D407-R409 PolarHBondContact O-N 2.86Å; D407-R409 WeakPolarHBondContact OD1-CA 3.45Å; D407-R409 VanDerWaalsContact OD1-CB 3.23Å; D407-R409 WeakPolarHBondContact OD1-CB 3.44Å; D407-R409 PolarHBondContact OD1-N 2.92Å; R409-L411 VanDerWaalsContact C-N 3.29Å; R409-L411 PolarHBondContact O-N 2.9Å; R409-Q412 PolarHBondContact O-N 2.9Å; R409-Q413 WeakPolarHBondContact O-CG 3.42Å; R409-Q413 PolarHBondContact O-N 3.03Å
410	A	97.3	Very high	93.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-35.4	176.3	0	0	0	0	0	111.4	V392 P393 P405 D407 Q413 H414	V392-A410 WeakPolarHBondContact CG1-O 3.36Å; P393-A410 HydrophobicContact CB-CB 4.27Å; P393-A410 HydrophobicContact CG-CB 4.42Å; P405-A410 HydrophobicContact CB-CB 4.02Å; D407-A410 PolarHBondContact O-N 3.46Å; D407-A410 WeakPolarHBondContact OD1-CB 3.36Å; D407-A410 PolarHBondContact OD1-N 2.84Å; A410-Q413 PolarHBondContact O-N 3.08Å; A410-H414 WeakPolarHBondContact O-CB 3.46Å; A410-H414 PolarHBondContact O-N 2.77Å
411	L	98	Very high	95.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-48.5	174.8	-175.3	153.4	0	0	0	111.6	P405 D407 I408 R409 H414 L415 F452 F463 Y467	P405-L411 HydrophobicContact CB-CB 3.94Å; P405-L411 HydrophobicContact CG-CB 3.82Å; P405-L411 HydrophobicContact CG-CD1 4.22Å; P405-L411 HydrophobicContact CG-CG 4.09Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 3.48Å; I408-L411 PolarHBondContact O-N 2.99Å; R409-L411 VanDerWaalsContact C-N 3.29Å; R409-L411 PolarHBondContact O-N 2.9Å; L411-H414 PolarHBondContact O-N 2.8Å; L411-L415 WeakPolarHBondContact O-CB 3.42Å; L411-L415 PolarHBondContact O-N 2.96Å; L411-F452 HydrophobicContact CD1-CD2 3.65Å; L411-F452 HydrophobicContact CD1-CE2 3.81Å; L411-F463 HydrophobicContact CD2-CB 4.33Å; L411-F463 VanDerWaalsContact CD2-O 3.28Å; L411-F463 WeakPolarHBondContact CD2-O 3.38Å; L411-Y467 HydrophobicContact CD2-CE2 3.98Å; L411-Y467 HydrophobicContact CG-CE2 4.07Å; L411-Y467 PolarHBondContact O-OH 3.05Å
412	Q	98.4	Very high	96.2	Very high	24 Å²	24	26.8 Å²	26.8	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-38.8	178.8	-179.3	56.8	66.2	0	0	112.1	D361 I408 R409 L415 C416	D361-Q412 WeakPolarHBondContact O-CG 3.4Å; I408-Q412 WeakPolarHBondContact O-CB 3.22Å; I408-Q412 PolarHBondContact O-N 3.39Å; R409-Q412 PolarHBondContact O-N 2.9Å; Q412-L415 PolarHBondContact O-N 3.39Å; Q412-C416 PolarHBondContact O-N 3.48Å
413	Q	98.3	Very high	96.7	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-51.1	172.9	-78.1	179.4	-34.1	0	0	111.3	F356 G360 D361 V392 R409 A410 L415 C416 V417	F356-Q413 HydrophobicContact CZ-CB 3.99Å; F356-Q413 HydrophobicContact CZ-CG 4.38Å; F356-Q413 WeakPolarHBondContact CZ-O 3.45Å; G360-Q413 WeakPolarHBondContact O-CA 3.25Å; G360-Q413 PolarHBondContact O-N 3.29Å; D361-Q413 HydrophobicContact CB-CG 4.19Å; V392-Q413 HydrophobicContact CG1-CB 4.19Å; V392-Q413 HydrophobicContact CG2-CB 4.18Å; R409-Q413 WeakPolarHBondContact O-CG 3.42Å; R409-Q413 PolarHBondContact O-N 3.03Å; A410-Q413 PolarHBondContact O-N 3.08Å; Q413-L415 VanDerWaalsContact C-N 3.32Å; Q413-L415 PolarHBondContact O-N 3.15Å; Q413-C416 WeakPolarHBondContact O-CB 3.28Å; Q413-C416 PolarHBondContact O-N 3.26Å; Q413-V417 WeakPolarHBondContact O-CG2 3.39Å; Q413-V417 PolarHBondContact O-N 3.5Å; Q413-V417 VanDerWaalsContact O-N 3.09Å
414	H	98.5	Very high	97	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.046	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-43.7	177.4	-174.4	-82.3	0	0	0	111.8	V392 L394 A410 L411 C416 V417 V418 R445 Y467	V392-H414 HydrophobicContact CG1-CB 4Å; L394-H414 HydrophobicContact CD2-CB 4.42Å; A410-H414 WeakPolarHBondContact O-CB 3.46Å; A410-H414 PolarHBondContact O-N 2.77Å; L411-H414 PolarHBondContact O-N 2.8Å; H414-C416 VanDerWaalsContact C-N 3.29Å; H414-C416 PolarHBondContact O-N 3.12Å; H414-V417 WeakPolarHBondContact O-CB 3.35Å; H414-V417 PolarHBondContact O-N 3.35Å; H414-V418 WeakPolarHBondContact CE1-CG2 3.48Å; H414-V418 WeakPolarHBondContact ND1-CG2 3.48Å; H414-V418 VanDerWaalsContact O-CG2 3.3Å; H414-V418 WeakPolarHBondContact O-CG2 3.19Å; H414-V418 PolarHBondContact O-N 3.31Å; H414-R445 PolarHBondContact CD2-NH1 3.1Å; H414-R445 PolarHBondContact CE1-NH1 3Å; H414-R445 PolarHBondContact ND1-NH1 3Å; H414-R445 PolarHBondContact NE2-NH1 2.98Å; H414-Y467 WeakPolarHBondContact CB-OH 3.33Å; H414-Y467 AromaticContact ND1-CE1 3.75Å; H414-Y467 AromaticContact ND1-CZ 3.7Å; H414-Y467 PolarHBondContact ND1-OH 3.2Å
415	L	98.6	Very high	97	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-42.2	178.3	175.5	62.4	0	0	0	111.3	L411 Q412 Q413 V417 V418 Q419 Y466 Y467 L470	L411-L415 WeakPolarHBondContact O-CB 3.42Å; L411-L415 PolarHBondContact O-N 2.96Å; Q412-L415 PolarHBondContact O-N 3.39Å; Q413-L415 VanDerWaalsContact C-N 3.32Å; Q413-L415 PolarHBondContact O-N 3.15Å; L415-V417 VanDerWaalsContact C-N 3.33Å; L415-V417 PolarHBondContact O-N 2.8Å; L415-V418 WeakPolarHBondContact O-CB 3.35Å; L415-V418 PolarHBondContact O-N 2.86Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.45Å; L415-Q419 PolarHBondContact O-N 2.92Å; L415-Y466 HydrophobicContact CD2-CD2 4.15Å; L415-Y466 HydrophobicContact CD2-CG 4.43Å; L415-Y467 HydrophobicContact CB-CE2 4.09Å; L415-Y467 HydrophobicContact CD1-CD1 4.13Å; L415-Y467 HydrophobicContact CD1-CD2 4.22Å; L415-Y467 HydrophobicContact CD1-CE1 4.12Å; L415-Y467 HydrophobicContact CD1-CE2 4.19Å; L415-Y467 HydrophobicContact CD1-CG 4.18Å; L415-Y467 PolarHBondContact N-OH 2.95Å; L415-Y467 VanDerWaalsContact N-OH 3.17Å; L415-L470 HydrophobicContact CD1-CD1 3.84Å
416	C	98.7	Very high	97.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-40	174.4	178.7	0	0	0	0	111.8	F356 Q412 Q413 H414 V418 Q419 L420	F356-C416 HydrophobicContact CE2-CB 4.02Å; Q412-C416 PolarHBondContact O-N 3.48Å; Q413-C416 WeakPolarHBondContact O-CB 3.28Å; Q413-C416 PolarHBondContact O-N 3.26Å; H414-C416 VanDerWaalsContact C-N 3.29Å; H414-C416 PolarHBondContact O-N 3.12Å; C416-V418 VanDerWaalsContact C-N 3.33Å; C416-V418 PolarHBondContact O-N 3.29Å; C416-Q419 PolarHBondContact O-N 2.74Å; C416-L420 WeakPolarHBondContact O-CG 3.25Å; C416-L420 PolarHBondContact O-N 2.92Å
417	V	98.6	Very high	97.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-41	174.4	-179	0	0	0	0	111.8	F356 I385 L388 L389 V392 Q413 H414 L415 L420 T421	F356-V417 HydrophobicContact CE1-CG2 4.19Å; F356-V417 HydrophobicContact CE2-CG2 3.73Å; F356-V417 HydrophobicContact CZ-CG2 3.39Å; I385-V417 HydrophobicContact CD1-CG1 4.4Å; I385-V417 HydrophobicContact CG2-CG1 4.01Å; L388-V417 HydrophobicContact CB-CG1 4.33Å; L388-V417 HydrophobicContact CB-CG2 3.84Å; L389-V417 HydrophobicContact CD2-CB 4.2Å; L389-V417 HydrophobicContact CD2-CG1 3.58Å; L389-V417 HydrophobicContact CG-CG1 3.76Å; V392-V417 HydrophobicContact CG2-CG2 4.2Å; Q413-V417 WeakPolarHBondContact O-CG2 3.39Å; Q413-V417 PolarHBondContact O-N 3.5Å; Q413-V417 VanDerWaalsContact O-N 3.09Å; H414-V417 WeakPolarHBondContact O-CB 3.35Å; H414-V417 PolarHBondContact O-N 3.35Å; L415-V417 VanDerWaalsContact C-N 3.33Å; L415-V417 PolarHBondContact O-N 2.8Å; V417-L420 PolarHBondContact O-N 2.83Å; V417-T421 WeakPolarHBondContact O-CB 3.24Å; V417-T421 PolarHBondContact O-N 3.46Å; V417-T421 PolarHBondContact O-OG1 3.28Å
418	V	98.6	Very high	97.3	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-43.6	176.5	175.3	0	0	0	0	111.1	H414 L415 C416 L420 T421 R422 Y427 L442 Y467 L470	H414-V418 WeakPolarHBondContact CE1-CG2 3.48Å; H414-V418 WeakPolarHBondContact ND1-CG2 3.48Å; H414-V418 VanDerWaalsContact O-CG2 3.3Å; H414-V418 WeakPolarHBondContact O-CG2 3.19Å; H414-V418 PolarHBondContact O-N 3.31Å; L415-V418 WeakPolarHBondContact O-CB 3.35Å; L415-V418 PolarHBondContact O-N 2.86Å; C416-V418 VanDerWaalsContact C-N 3.33Å; C416-V418 PolarHBondContact O-N 3.29Å; V418-L420 VanDerWaalsContact C-N 3.35Å; V418-L420 PolarHBondContact O-N 3.18Å; V418-T421 WeakPolarHBondContact O-CB 3.5Å; V418-T421 PolarHBondContact O-N 3.36Å; V418-R422 PolarHBondContact O-N 3.05Å; V418-Y427 HydrophobicContact CG1-CE2 4.05Å; V418-Y427 WeakPolarHBondContact CG1-OH 3.16Å; V418-L442 HydrophobicContact CG1-CD2 3.61Å; V418-L442 HydrophobicContact CG2-CD2 4.47Å; V418-Y467 HydrophobicContact CG2-CE1 4.08Å; V418-L470 HydrophobicContact CB-CD1 4.33Å; V418-L470 HydrophobicContact CG1-CD1 3.55Å
419	Q	98.6	Very high	97.1	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-41.8	175.8	-69.1	170.4	-28.6	0	0	111.7	F366 L415 C416 R422 L423 L470 W664	F366-Q419 HydrophobicContact CB-CB 4.46Å; F366-Q419 HydrophobicContact CD2-CB 3.52Å; F366-Q419 HydrophobicContact CE2-CB 3.97Å; F366-Q419 HydrophobicContact CG-CB 4.03Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.45Å; L415-Q419 PolarHBondContact O-N 2.92Å; C416-Q419 PolarHBondContact O-N 2.74Å; Q419-R422 PolarHBondContact O-N 3.07Å; Q419-L423 WeakPolarHBondContact O-CB 3.48Å; Q419-L423 PolarHBondContact O-N 3.2Å; Q419-L470 HydrophobicContact CG-CD1 3.97Å; Q419-W664 HydrophobicContact CB-CG 4.25Å; Q419-W664 HydrophobicContact CG-CD2 4.28Å; Q419-W664 HydrophobicContact CG-CG 4.1Å; Q419-W664 VanDerWaalsContact NE2-NE1 3.11Å
420	L	98.2	Very high	97.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-37.4	174.1	-69.9	172.1	0	0	0	111.9	F366 L369 I385 L388 C416 V417 V418 R422 L423 L424	F366-L420 HydrophobicContact CD2-CD2 4Å; F366-L420 HydrophobicContact CD2-CG 4.31Å; F366-L420 HydrophobicContact CE2-CD2 4.36Å; L369-L420 HydrophobicContact CB-CD2 4.24Å; L369-L420 HydrophobicContact CD1-CD1 4.03Å; I385-L420 HydrophobicContact CD1-CB 3.82Å; L388-L420 HydrophobicContact CD1-CD1 3.8Å; C416-L420 WeakPolarHBondContact O-CG 3.25Å; C416-L420 PolarHBondContact O-N 2.92Å; V417-L420 PolarHBondContact O-N 2.83Å; V418-L420 VanDerWaalsContact C-N 3.35Å; V418-L420 PolarHBondContact O-N 3.18Å; L420-R422 VanDerWaalsContact C-N 3.32Å; L420-R422 PolarHBondContact O-N 3.41Å; L420-L423 HydrophobicContact CD2-CD2 4.3Å; L420-L423 PolarHBondContact O-N 3.43Å; L420-L424 WeakPolarHBondContact O-CB 3.45Å; L420-L424 VanDerWaalsContact O-CG 3.25Å; L420-L424 WeakPolarHBondContact O-CG 3.07Å; L420-L424 PolarHBondContact O-N 3.41Å
421	T	97.9	Very high	97	Very high	16 Å²	16	22.1 Å²	22.1	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-43.2	175.4	-60	0	0	0	0	111	I385 V417 V418 L426 Y427	I385-T421 WeakPolarHBondContact CG2-OG1 3.17Å; V417-T421 WeakPolarHBondContact O-CB 3.24Å; V417-T421 PolarHBondContact O-N 3.46Å; V417-T421 PolarHBondContact O-OG1 3.28Å; V418-T421 WeakPolarHBondContact O-CB 3.5Å; V418-T421 PolarHBondContact O-N 3.36Å; T421-L426 HydrophobicContact CG2-CB 3.9Å; T421-L426 HydrophobicContact CG2-CD1 3.96Å; T421-L426 HydrophobicContact CG2-CG 4.46Å; T421-L426 WeakPolarHBondContact O-CB 3.36Å; T421-L426 PolarHBondContact O-N 3.44Å; T421-Y427 HydrophobicContact CG2-CD1 4.02Å; T421-Y427 HydrophobicContact CG2-CE1 3.57Å; T421-Y427 HydrophobicContact CG2-CE2 4.43Å
422	R	97.6	Very high	96.8	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-50.1	173.3	180	78.6	178.8	-154.4	5	111.6	V418 Q419 L420 L424 G425 Y427 H428 L470 D477 W664 D665	V418-R422 PolarHBondContact O-N 3.05Å; Q419-R422 PolarHBondContact O-N 3.07Å; L420-R422 VanDerWaalsContact C-N 3.32Å; L420-R422 PolarHBondContact O-N 3.41Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.85Å; R422-G425 PolarHBondContact O-N 2.72Å; R422-Y427 HydrophobicContact CB-CD2 3.9Å; R422-Y427 HydrophobicContact CB-CE2 4.29Å; R422-Y427 HydrophobicContact CG-CD2 4.42Å; R422-H428 PolarHBondContact NE-CE1 3.28Å; R422-H428 VanDerWaalsContact NE-CE1 3.32Å; R422-H428 PolarHBondContact NH2-NE2 3.42Å; R422-L470 HydrophobicContact CB-CD2 4.26Å; R422-L470 HydrophobicContact CG-CD2 4.33Å; R422-D477 IonicContact CZ-OD2 3.57Å; R422-D477 IonicContact NH1-OD2 3.55Å; R422-D477 PolarHBondContact NH1-OD2 3.2Å; R422-D477 IonicContact NH2-OD1 2.72Å; R422-D477 PolarHBondContact NH2-OD1 3.37Å; R422-D477 IonicContact NH2-OD2 3.79Å; R422-D477 PolarHBondContact NH2-OD2 3.01Å; R422-W664 CarbonylContact C-O 3.56Å; R422-W664 HydrophobicContact CB-CB 4.26Å; R422-W664 HydrophobicContact CG-CB 3.9Å; R422-W664 WeakPolarHBondContact CG-O 3.44Å; R422-D665 IonicContact CZ-OD1 3.11Å; R422-D665 IonicContact NE-OD1 3.63Å; R422-D665 PolarHBondContact NE-OD1 2.95Å; R422-D665 IonicContact NH2-OD1 3.41Å; R422-D665 PolarHBondContact NH2-OD1 2.87Å; R422-D665 IonicContact NH2-OD2 2.98Å
423	L	97.3	Very high	96.6	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-34.9	-178.2	177.2	70.9	0	0	0	112.6	F366 K370 V373 Q419 L420 G425 W664 D665 P666	F366-L423 HydrophobicContact CE2-CB 3.88Å; F366-L423 HydrophobicContact CE2-CD2 3.73Å; F366-L423 HydrophobicContact CE2-CG 4.29Å; F366-L423 HydrophobicContact CZ-CB 4.32Å; F366-L423 HydrophobicContact CZ-CD1 4.39Å; F366-L423 HydrophobicContact CZ-CD2 4.06Å; F366-L423 HydrophobicContact CZ-CG 4.49Å; K370-L423 HydrophobicContact CB-CD2 4Å; K370-L423 HydrophobicContact CD-CD1 4.41Å; K370-L423 HydrophobicContact CG-CD1 4.12Å; K370-L423 HydrophobicContact CG-CD2 3.9Å; V373-L423 HydrophobicContact CB-CD2 4.28Å; V373-L423 HydrophobicContact CG1-CD2 4.16Å; V373-L423 HydrophobicContact CG2-CD2 4.3Å; Q419-L423 WeakPolarHBondContact O-CB 3.48Å; Q419-L423 PolarHBondContact O-N 3.2Å; L420-L423 HydrophobicContact CD2-CD2 4.3Å; L420-L423 PolarHBondContact O-N 3.43Å; L423-G425 PolarHBondContact O-N 2.98Å; L423-W664 WeakPolarHBondContact CA-O 3.33Å; L423-W664 PolarHBondContact N-O 3.48Å; L423-W664 VanDerWaalsContact N-O 3.12Å; L423-D665 WeakPolarHBondContact CD1-O 3.42Å; L423-P666 WeakPolarHBondContact O-CA 3.37Å; L423-P666 VanDerWaalsContact O-CB 3.27Å; L423-P666 WeakPolarHBondContact O-CB 3.29Å
424	L	95.5	Very high	96.5	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.157	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	5.5	176	-69.6	175.5	0	0	0	113.3	V373 C381 F384 I385 L420 R422 L426	V373-L424 HydrophobicContact CG2-CD2 3.21Å; V373-L424 HydrophobicContact CG2-CG 4.17Å; C381-L424 HydrophobicContact CB-CB 4.19Å; C381-L424 HydrophobicContact CB-CD1 4.02Å; C381-L424 HydrophobicContact CB-CD2 4.24Å; C381-L424 HydrophobicContact CB-CG 4.4Å; F384-L424 HydrophobicContact CD1-CD1 4.31Å; I385-L424 HydrophobicContact CD1-CD1 3.8Å; I385-L424 HydrophobicContact CG1-CD1 3.79Å; L420-L424 WeakPolarHBondContact O-CB 3.45Å; L420-L424 VanDerWaalsContact O-CG 3.25Å; L420-L424 WeakPolarHBondContact O-CG 3.07Å; L420-L424 PolarHBondContact O-N 3.41Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.85Å; L424-L426 VanDerWaalsContact C-N 3.31Å; L424-L426 HydrophobicContact CB-CG 4.39Å; L424-L426 PolarHBondContact O-N 3.23Å
425	G	94.1	Very high	96.5	Very high	13 Å²	13	33.9 Å²	33.9	13%	0.134	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	1.2	174.3	0	0	0	0	0	115	R422 L423 Y427 H428 T429	R422-G425 PolarHBondContact O-N 2.72Å; L423-G425 PolarHBondContact O-N 2.98Å; G425-Y427 PolarHBondContact O-N 2.82Å; G425-H428 WeakPolarHBondContact O-CB 3.4Å; G425-H428 PolarHBondContact O-N 3.34Å; G425-T429 PolarHBondContact O-N 2.97Å
426	L	95	Very high	96.3	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.157	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63.9	-39.9	-170.8	-60	179.7	0	0	0	112.5	I385 T421 L424 H428 T429	I385-L426 HydrophobicContact CB-CD1 4.46Å; I385-L426 HydrophobicContact CG1-CD1 3.97Å; T421-L426 HydrophobicContact CG2-CB 3.9Å; T421-L426 HydrophobicContact CG2-CD1 3.96Å; T421-L426 HydrophobicContact CG2-CG 4.46Å; T421-L426 WeakPolarHBondContact O-CB 3.36Å; T421-L426 PolarHBondContact O-N 3.44Å; L424-L426 VanDerWaalsContact C-N 3.31Å; L424-L426 HydrophobicContact CB-CG 4.39Å; L424-L426 PolarHBondContact O-N 3.23Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.36Å; L426-T429 PolarHBondContact O-N 3.45Å; L426-T429 PolarHBondContact O-OG1 3.21Å
427	Y	96	Very high	96.1	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.082	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67.8	-26.4	174.8	-66.6	-20.7	0	0	0	113.8	V418 T421 R422 G425 T429 M430 K435 V438 V474	V418-Y427 HydrophobicContact CG1-CE2 4.05Å; V418-Y427 WeakPolarHBondContact CG1-OH 3.16Å; T421-Y427 HydrophobicContact CG2-CD1 4.02Å; T421-Y427 HydrophobicContact CG2-CE1 3.57Å; T421-Y427 HydrophobicContact CG2-CE2 4.43Å; R422-Y427 HydrophobicContact CB-CD2 3.9Å; R422-Y427 HydrophobicContact CB-CE2 4.29Å; R422-Y427 HydrophobicContact CG-CD2 4.42Å; G425-Y427 PolarHBondContact O-N 2.82Å; Y427-T429 VanDerWaalsContact C-N 3.35Å; Y427-M430 HydrophobicContact CD1-CE 3.85Å; Y427-M430 HydrophobicContact CD1-SD 3.94Å; Y427-M430 HydrophobicContact CE1-CE 4.23Å; Y427-K435 WeakPolarHBondContact O-CE 3.28Å; Y427-V438 HydrophobicContact CD1-CG1 4.22Å; Y427-V438 HydrophobicContact CD1-CG2 4.21Å; Y427-V438 HydrophobicContact CD2-CG1 4.44Å; Y427-V438 HydrophobicContact CE1-CG1 3.8Å; Y427-V438 HydrophobicContact CE1-CG2 3.98Å; Y427-V438 HydrophobicContact CE2-CG1 4.06Å; Y427-V474 HydrophobicContact CD2-CG2 4.33Å
428	H	94.2	Very high	96	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.111	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-76.7	-24.6	179.4	-63.6	101.5	0	0	0	112.6	R422 G425 L426 M430 D477 D665 P666 R669	R422-H428 PolarHBondContact NE-CE1 3.28Å; R422-H428 VanDerWaalsContact NE-CE1 3.32Å; R422-H428 PolarHBondContact NH2-NE2 3.42Å; G425-H428 WeakPolarHBondContact O-CB 3.4Å; G425-H428 PolarHBondContact O-N 3.34Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.36Å; H428-M430 VanDerWaalsContact C-N 3.31Å; H428-D477 IonicContact NE2-OD2 2.77Å; H428-D665 IonicContact CE1-OD1 3.97Å; H428-D665 PolarHBondContact CE1-OD1 3.11Å; H428-D665 IonicContact NE2-OD1 3Å; H428-D665 PolarHBondContact NE2-OD1 2.81Å; H428-P666 WeakPolarHBondContact CE1-CD 3.38Å; H428-R669 PolarHBondContact CD2-NH1 2.74Å
429	T	93.6	Very high	96	Very high	116 Å²	116	39.1 Å²	39.1	71%	0.712	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-78.7	-13.2	176.8	62.8	0	0	0	0	114.1	G425 L426 Y427	G425-T429 PolarHBondContact O-N 2.97Å; L426-T429 PolarHBondContact O-N 3.45Å; L426-T429 PolarHBondContact O-OG1 3.21Å; Y427-T429 VanDerWaalsContact C-N 3.35Å
430	M	96.1	Very high	95.8	Very high	55 Å²	55	46.3 Å²	46.3	27%	0.271	24%	0.238	S	C	.	.	S	Bend	trans	-74.7	148.9	-178	-72	178.2	-179.8	0	0	112.2	Y427 H428 Q434 K435 V438	Y427-M430 HydrophobicContact CD1-CE 3.85Å; Y427-M430 HydrophobicContact CD1-SD 3.94Å; Y427-M430 HydrophobicContact CE1-CE 4.23Å; H428-M430 VanDerWaalsContact C-N 3.31Å; M430-Q434 HydrophobicContact CB-CB 3.77Å; M430-Q434 HydrophobicContact CG-CB 4.09Å; M430-Q434 HydrophobicContact SD-CB 4.28Å; M430-K435 HydrophobicContact CB-CG 3.9Å; M430-K435 VanDerWaalsContact O-CE 3.25Å; M430-K435 WeakPolarHBondContact O-CE 3.44Å; M430-V438 HydrophobicContact CE-CG2 4.17Å; M430-V438 HydrophobicContact SD-CG2 3.64Å
431	D	95.6	Very high	95.6	Very high	82 Å²	82	49.4 Å²	49.4	44%	0.439	25%	0.253	S	S	.	.			trans	-72.6	171.3	169.2	71.6	53	0	0	0	112.1	N433 Q434 K435	D431-N433 VanDerWaalsContact C-N 3.32Å; D431-N433 PolarHBondContact O-N 2.84Å; D431-N433 WeakPolarHBondContact OD1-CA 3.24Å; D431-N433 WeakPolarHBondContact OD1-CB 3.34Å; D431-N433 PolarHBondContact OD1-N 3.1Å; D431-Q434 PolarHBondContact O-N 2.73Å; D431-Q434 PolarHBondContact OD1-N 3.33Å; D431-Q434 VanDerWaalsContact OD2-CD 3.3Å; D431-K435 WeakPolarHBondContact O-CG 3.13Å; D431-K435 PolarHBondContact O-N 3.28Å
432	K	94.1	Very high	95.6	Very high	79 Å²	79	48.9 Å²	48.9	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-53.1	-45.4	-179.3	-178.7	178.5	-179.1	174.1	0	113	K435 L436 V478 T482 D484	K432-K435 PolarHBondContact O-N 2.9Å; K432-L436 HydrophobicContact CG-CD1 4.26Å; K432-L436 WeakPolarHBondContact O-CG 3.28Å; K432-L436 PolarHBondContact O-N 3.12Å; K432-V478 HydrophobicContact CD-CG1 4.39Å; K432-V478 HydrophobicContact CG-CG1 4.06Å; K432-T482 HydrophobicContact CD-CG2 4.34Å; K432-D484 VanDerWaalsContact CE-OD2 3.31Å; K432-D484 WeakPolarHBondContact CE-OD2 3.25Å; K432-D484 IonicContact NZ-OD2 3.65Å; K432-D484 PolarHBondContact NZ-OD2 3.34Å
433	N	94.6	Very high	95.5	Very high	119 Å²	119	49.8 Å²	49.8	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-71.3	-38.5	-175.3	-67	-37.2	0	0	0	111.3	D431 L436 S437	D431-N433 VanDerWaalsContact C-N 3.32Å; D431-N433 PolarHBondContact O-N 2.84Å; D431-N433 WeakPolarHBondContact OD1-CA 3.24Å; D431-N433 WeakPolarHBondContact OD1-CB 3.34Å; D431-N433 PolarHBondContact OD1-N 3.1Å; N433-L436 PolarHBondContact O-N 2.99Å; N433-S437 PolarHBondContact O-N 2.63Å
434	Q	96.3	Very high	95.3	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.4	-69.6	173.4	-17.4	0	0	111.2	M430 D431 L436 S437 V438	M430-Q434 HydrophobicContact CB-CB 3.77Å; M430-Q434 HydrophobicContact CG-CB 4.09Å; M430-Q434 HydrophobicContact SD-CB 4.28Å; D431-Q434 PolarHBondContact O-N 2.73Å; D431-Q434 PolarHBondContact OD1-N 3.33Å; D431-Q434 VanDerWaalsContact OD2-CD 3.3Å; Q434-L436 PolarHBondContact O-N 3.17Å; Q434-S437 WeakPolarHBondContact O-CA 3.14Å; Q434-S437 VanDerWaalsContact O-CB 3.3Å; Q434-S437 WeakPolarHBondContact O-CB 3.42Å; Q434-S437 PolarHBondContact O-N 3.38Å; Q434-S437 VanDerWaalsContact O-N 3.08Å; Q434-V438 PolarHBondContact O-N 3.39Å
435	K	96.8	Very high	95.3	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-45.9	174.1	-74.7	-176.7	-177.6	-174.7	0	111.8	Y427 M430 D431 K432 S437 V438 V439 V474 V478 E481	Y427-K435 WeakPolarHBondContact O-CE 3.28Å; M430-K435 HydrophobicContact CB-CG 3.9Å; M430-K435 VanDerWaalsContact O-CE 3.25Å; M430-K435 WeakPolarHBondContact O-CE 3.44Å; D431-K435 WeakPolarHBondContact O-CG 3.13Å; D431-K435 PolarHBondContact O-N 3.28Å; K432-K435 PolarHBondContact O-N 2.9Å; K435-S437 VanDerWaalsContact C-N 3.3Å; K435-S437 PolarHBondContact O-N 2.89Å; K435-V438 WeakPolarHBondContact O-CB 3.15Å; K435-V438 PolarHBondContact O-N 3.28Å; K435-V438 VanDerWaalsContact O-N 3.16Å; K435-V439 WeakPolarHBondContact O-CG2 3.32Å; K435-V439 PolarHBondContact O-N 3.15Å; K435-V474 HydrophobicContact CB-CG1 3.71Å; K435-V474 HydrophobicContact CG-CG1 4.14Å; K435-V478 HydrophobicContact CB-CG2 3.86Å; K435-V478 HydrophobicContact CD-CG2 3.87Å; K435-E481 IonicContact NZ-OE1 2.9Å; K435-E481 PolarHBondContact NZ-OE1 3.28Å; K435-E481 IonicContact NZ-OE2 3.32Å; K435-E481 PolarHBondContact NZ-OE2 2.98Å
436	L	95.3	Very high	95.5	Very high	44 Å²	44	52.7 Å²	52.7	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-29	176.1	-67.1	176.2	0	0	0	113	K432 N433 Q434 R440 L475	K432-L436 HydrophobicContact CG-CD1 4.26Å; K432-L436 WeakPolarHBondContact O-CG 3.28Å; K432-L436 PolarHBondContact O-N 3.12Å; N433-L436 PolarHBondContact O-N 2.99Å; Q434-L436 PolarHBondContact O-N 3.17Å; L436-R440 WeakPolarHBondContact O-CG 3.37Å; L436-R440 PolarHBondContact O-N 3.46Å; L436-R440 VanDerWaalsContact O-N 3.15Å; L436-R440 PolarHBondContact O-NE 3.27Å; L436-L475 HydrophobicContact CD2-CD2 3.9Å
437	S	95.1	Very high	95.4	Very high	60 Å²	60	54.7 Å²	54.7	42%	0.42	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-42.2	170	-165.2	0	0	0	0	111.8	N433 Q434 K435 R440 E441	N433-S437 PolarHBondContact O-N 2.63Å; Q434-S437 WeakPolarHBondContact O-CA 3.14Å; Q434-S437 VanDerWaalsContact O-CB 3.3Å; Q434-S437 WeakPolarHBondContact O-CB 3.42Å; Q434-S437 PolarHBondContact O-N 3.38Å; Q434-S437 VanDerWaalsContact O-N 3.08Å; K435-S437 VanDerWaalsContact C-N 3.3Å; K435-S437 PolarHBondContact O-N 2.89Å; S437-R440 PolarHBondContact O-N 3.38Å; S437-E441 PolarHBondContact O-N 3.48Å
438	V	96.8	Very high	95.4	Very high	13 Å²	13	55.6 Å²	55.6	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-45.2	174.3	170.7	0	0	0	0	110.6	Y427 M430 Q434 K435 R440 E441 L442	Y427-V438 HydrophobicContact CD1-CG1 4.22Å; Y427-V438 HydrophobicContact CD1-CG2 4.21Å; Y427-V438 HydrophobicContact CD2-CG1 4.44Å; Y427-V438 HydrophobicContact CE1-CG1 3.8Å; Y427-V438 HydrophobicContact CE1-CG2 3.98Å; Y427-V438 HydrophobicContact CE2-CG1 4.06Å; M430-V438 HydrophobicContact CE-CG2 4.17Å; M430-V438 HydrophobicContact SD-CG2 3.64Å; Q434-V438 PolarHBondContact O-N 3.39Å; K435-V438 WeakPolarHBondContact O-CB 3.15Å; K435-V438 PolarHBondContact O-N 3.28Å; K435-V438 VanDerWaalsContact O-N 3.16Å; V438-R440 VanDerWaalsContact C-N 3.32Å; V438-R440 PolarHBondContact O-N 3.28Å; V438-E441 WeakPolarHBondContact O-CB 3.44Å; V438-E441 PolarHBondContact O-N 3.4Å; V438-E441 VanDerWaalsContact O-N 3.14Å; V438-L442 HydrophobicContact CG1-CD1 3.7Å; V438-L442 HydrophobicContact CG1-CG 4.06Å; V438-L442 VanDerWaalsContact O-CG 3.25Å; V438-L442 WeakPolarHBondContact O-CG 3.43Å; V438-L442 PolarHBondContact O-N 3.34Å
439	V	97.1	Very high	95.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-54.7	-48	175.6	171.3	0	0	0	0	111.1	K435 E441 L442 M443 A471 V474 L475	K435-V439 WeakPolarHBondContact O-CG2 3.32Å; K435-V439 PolarHBondContact O-N 3.15Å; V439-E441 PolarHBondContact O-N 3.2Å; V439-L442 PolarHBondContact O-N 3.41Å; V439-M443 WeakPolarHBondContact O-CB 3.49Å; V439-M443 WeakPolarHBondContact O-CG 3.34Å; V439-M443 PolarHBondContact O-N 3.24Å; V439-A471 HydrophobicContact CG1-CB 4.29Å; V439-V474 HydrophobicContact CG2-CB 3.83Å; V439-V474 HydrophobicContact CG2-CG1 3.64Å; V439-L475 HydrophobicContact CG1-CD1 4.04Å; V439-L475 HydrophobicContact CG1-CD2 4.06Å; V439-L475 HydrophobicContact CG1-CG 3.96Å; V439-L475 HydrophobicContact CG2-CD2 4.02Å; V439-L475 HydrophobicContact CG2-CG 3.86Å
440	R	94.5	Very high	95.5	Very high	156 Å²	156	50 Å²	50	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-60.7	-43.2	177.2	-73.6	179.9	-73.5	164.7	-2.4	112.2	L436 S437 V438 M443 L444	L436-R440 WeakPolarHBondContact O-CG 3.37Å; L436-R440 PolarHBondContact O-N 3.46Å; L436-R440 VanDerWaalsContact O-N 3.15Å; L436-R440 PolarHBondContact O-NE 3.27Å; S437-R440 PolarHBondContact O-N 3.38Å; V438-R440 VanDerWaalsContact C-N 3.32Å; V438-R440 PolarHBondContact O-N 3.28Å; R440-M443 PolarHBondContact O-N 3.38Å; R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.34Å
441	E	94.9	Very high	95.5	Very high	67 Å²	67	52.8 Å²	52.8	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-49.8	176.1	-170.4	-174.9	158.1	0	0	111.8	L402 S437 V438 V439 M443 L444 R445	L402-E441 HydrophobicContact CD1-CG 3.7Å; L402-E441 HydrophobicContact CD2-CG 3.55Å; L402-E441 HydrophobicContact CG-CG 4.25Å; S437-E441 PolarHBondContact O-N 3.48Å; V438-E441 WeakPolarHBondContact O-CB 3.44Å; V438-E441 PolarHBondContact O-N 3.4Å; V438-E441 VanDerWaalsContact O-N 3.14Å; V439-E441 PolarHBondContact O-N 3.2Å; E441-M443 VanDerWaalsContact C-N 3.28Å; E441-M443 PolarHBondContact O-N 2.99Å; E441-L444 PolarHBondContact O-N 3.37Å; E441-R445 WeakPolarHBondContact O-CG 3.4Å; E441-R445 PolarHBondContact O-N 3.2Å; E441-R445 IonicContact OE1-CZ 2.82Å; E441-R445 IonicContact OE1-NH1 3.56Å; E441-R445 IonicContact OE1-NH2 3.54Å; E441-R445 PolarHBondContact OE1-NH2 3.24Å
442	L	97.5	Very high	95.4	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-39.2	-179.7	-65.9	173.5	0	0	0	111.3	V418 V438 V439 R445 Y446 Y467 L470 A471	V418-L442 HydrophobicContact CG1-CD2 3.61Å; V418-L442 HydrophobicContact CG2-CD2 4.47Å; V438-L442 HydrophobicContact CG1-CD1 3.7Å; V438-L442 HydrophobicContact CG1-CG 4.06Å; V438-L442 VanDerWaalsContact O-CG 3.25Å; V438-L442 WeakPolarHBondContact O-CG 3.43Å; V438-L442 PolarHBondContact O-N 3.34Å; V439-L442 PolarHBondContact O-N 3.41Å; L442-R445 WeakPolarHBondContact O-CB 3.47Å; L442-R445 PolarHBondContact O-N 3.05Å; L442-Y446 WeakPolarHBondContact O-CB 3.49Å; L442-Y446 PolarHBondContact O-N 3.3Å; L442-Y467 HydrophobicContact CD2-CD1 3.73Å; L442-Y467 HydrophobicContact CD2-CE1 4.27Å; L442-L470 HydrophobicContact CD1-CB 3.95Å; L442-A471 HydrophobicContact CB-CB 4Å; L442-A471 HydrophobicContact CD1-CB 4.2Å
443	M	95.7	Very high	95.3	Very high	21 Å²	21	47.7 Å²	47.7	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-37.9	177.2	-72.2	-49.9	-52	0	0	113	V439 R440 E441 R445 Y446 Q447 C468 A471 L494	V439-M443 WeakPolarHBondContact O-CB 3.49Å; V439-M443 WeakPolarHBondContact O-CG 3.34Å; V439-M443 PolarHBondContact O-N 3.24Å; R440-M443 PolarHBondContact O-N 3.38Å; E441-M443 VanDerWaalsContact C-N 3.28Å; E441-M443 PolarHBondContact O-N 2.99Å; M443-R445 VanDerWaalsContact C-N 3.27Å; M443-R445 PolarHBondContact O-N 3.08Å; M443-Y446 HydrophobicContact CE-CD1 3.46Å; M443-Y446 VanDerWaalsContact CE-CD1 3.46Å; M443-Y446 HydrophobicContact CE-CE1 4.2Å; M443-Y446 HydrophobicContact CE-CG 4.08Å; M443-Y446 WeakPolarHBondContact O-CB 3.32Å; M443-Y446 PolarHBondContact O-N 2.88Å; M443-Q447 VanDerWaalsContact O-CG 3.28Å; M443-Q447 WeakPolarHBondContact O-CG 3.41Å; M443-Q447 PolarHBondContact O-N 2.9Å; M443-C468 HydrophobicContact SD-CB 4.47Å; M443-A471 HydrophobicContact CG-CB 4.14Å; M443-A471 HydrophobicContact SD-CB 3.92Å; M443-L494 HydrophobicContact CE-CD2 3.58Å; M443-L494 HydrophobicContact CG-CD1 3.91Å; M443-L494 HydrophobicContact CG-CD2 4.08Å; M443-L494 HydrophobicContact SD-CD1 3.69Å; M443-L494 HydrophobicContact SD-CD2 3.79Å; M443-L494 HydrophobicContact SD-CG 4.2Å
444	L	93.8	Very high	95.1	Very high	106 Å²	106	50 Å²	50	56%	0.555	24%	0.236	S	C	*	.	H	α-helix	trans	-60.2	-39.9	171.3	-71.1	169.7	0	0	0	111.5	L402 R440 E441 H448	L402-L444 HydrophobicContact CD2-CB 4.1Å; L402-L444 HydrophobicContact CD2-CD1 4.37Å; R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.34Å; E441-L444 PolarHBondContact O-N 3.37Å; L444-H448 WeakPolarHBondContact O-CB 3.42Å; L444-H448 PolarHBondContact O-N 3.42Å; L444-H448 VanDerWaalsContact O-N 3.08Å
445	R	95.4	Very high	94.9	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-39.5	175.7	-65.1	-70.3	177.1	71.2	20	112.6	L402 A403 L404 H414 E441 L442 M443 G449 Y467	L402-R445 HydrophobicContact CD2-CG 4.09Å; L402-R445 VanDerWaalsContact CD2-NE 3.33Å; A403-R445 PolarHBondContact O-NE 3.41Å; A403-R445 PolarHBondContact O-NH2 3.22Å; L404-R445 VanDerWaalsContact CD2-CD 3.5Å; H414-R445 PolarHBondContact CD2-NH1 3.1Å; H414-R445 PolarHBondContact CE1-NH1 3Å; H414-R445 PolarHBondContact ND1-NH1 3Å; H414-R445 PolarHBondContact NE2-NH1 2.98Å; E441-R445 WeakPolarHBondContact O-CG 3.4Å; E441-R445 PolarHBondContact O-N 3.2Å; E441-R445 IonicContact OE1-CZ 2.82Å; E441-R445 IonicContact OE1-NH1 3.56Å; E441-R445 IonicContact OE1-NH2 3.54Å; E441-R445 PolarHBondContact OE1-NH2 3.24Å; L442-R445 WeakPolarHBondContact O-CB 3.47Å; L442-R445 PolarHBondContact O-N 3.05Å; M443-R445 VanDerWaalsContact C-N 3.27Å; M443-R445 PolarHBondContact O-N 3.08Å; R445-G449 PolarHBondContact O-N 3.46Å; R445-Y467 HydrophobicContact CB-CD1 3.97Å; R445-Y467 HydrophobicContact CB-CD2 4.31Å; R445-Y467 HydrophobicContact CB-CE1 4Å; R445-Y467 HydrophobicContact CB-CE2 4.35Å; R445-Y467 HydrophobicContact CB-CG 4.14Å; R445-Y467 HydrophobicContact CG-CE1 4.44Å
446	Y	96.7	Very high	94.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-54	174.5	169	-104.2	0	0	0	110.8	L442 M443 H448 G449 L450 S464 C468 G498 H501	L442-Y446 WeakPolarHBondContact O-CB 3.49Å; L442-Y446 PolarHBondContact O-N 3.3Å; M443-Y446 HydrophobicContact CE-CD1 3.46Å; M443-Y446 VanDerWaalsContact CE-CD1 3.46Å; M443-Y446 HydrophobicContact CE-CE1 4.2Å; M443-Y446 HydrophobicContact CE-CG 4.08Å; M443-Y446 WeakPolarHBondContact O-CB 3.32Å; M443-Y446 PolarHBondContact O-N 2.88Å; Y446-H448 PolarHBondContact O-N 3.37Å; Y446-G449 WeakPolarHBondContact O-CA 3.25Å; Y446-G449 PolarHBondContact O-N 3.19Å; Y446-L450 HydrophobicContact CE1-CD1 3.92Å; Y446-L450 HydrophobicContact CE1-CG 4.4Å; Y446-L450 HydrophobicContact CE2-CD2 4.07Å; Y446-L450 HydrophobicContact CE2-CG 4.49Å; Y446-L450 PolarHBondContact O-N 2.9Å; Y446-L450 VanDerWaalsContact O-N 3.16Å; Y446-S464 WeakPolarHBondContact CD2-O 3.49Å; Y446-S464 PolarHBondContact O-OG 3.45Å; Y446-S464 VanDerWaalsContact O-OG 3.07Å; Y446-C468 HydrophobicContact CD2-CB 3.85Å; Y446-C468 HydrophobicContact CE2-CB 4.09Å; Y446-C468 HydrophobicContact CG-CB 4.17Å; Y446-G498 WeakPolarHBondContact OH-CA 3.25Å; Y446-H501 PolarHBondContact OH-CD2 2.89Å
447	Q	94.2	Very high	94.6	Very high	73 Å²	73	56 Å²	56	34%	0.341	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-46.2	-178.1	-67.9	-65.6	-15.4	0	0	111.9	M443 G449 L450 E497	M443-Q447 VanDerWaalsContact O-CG 3.28Å; M443-Q447 WeakPolarHBondContact O-CG 3.41Å; M443-Q447 PolarHBondContact O-N 2.9Å; Q447-G449 VanDerWaalsContact C-N 3.3Å; Q447-G449 PolarHBondContact O-N 3.43Å; Q447-L450 WeakPolarHBondContact O-CB 3.39Å; Q447-L450 PolarHBondContact O-N 2.71Å; Q447-E497 VanDerWaalsContact NE2-CD 3.35Å; Q447-E497 PolarHBondContact NE2-OE1 3.34Å; Q447-E497 PolarHBondContact NE2-OE2 2.89Å
448	H	94.4	Very high	94.3	Very high	39 Å²	39	61.4 Å²	61.4	18%	0.181	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-40.5	173.3	175.9	-92.2	0	0	0	112	L404 P405 L444 Y446 L450 E451 F452	L404-H448 HydrophobicContact CD1-CB 4.48Å; L404-H448 HydrophobicContact CD2-CB 4.21Å; P405-H448 PolarHBondContact O-CE1 3.34Å; L444-H448 WeakPolarHBondContact O-CB 3.42Å; L444-H448 PolarHBondContact O-N 3.42Å; L444-H448 VanDerWaalsContact O-N 3.08Å; Y446-H448 PolarHBondContact O-N 3.37Å; H448-L450 PolarHBondContact O-N 2.71Å; H448-E451 VanDerWaalsContact O-CB 3.28Å; H448-E451 WeakPolarHBondContact O-CB 3.28Å; H448-E451 WeakPolarHBondContact O-CG 3.5Å; H448-E451 PolarHBondContact O-N 2.98Å; H448-F452 AromaticContact CE1-CE2 3.61Å; H448-F452 AromaticContact CE1-CZ 3.6Å; H448-F452 AromaticContact ND1-CE2 3.82Å
449	G	95.7	Very high	94.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-25.9	-179.7	0	0	0	0	0	114.8	R445 Y446 Q447 E451 F452	R445-G449 PolarHBondContact O-N 3.46Å; Y446-G449 WeakPolarHBondContact O-CA 3.25Å; Y446-G449 PolarHBondContact O-N 3.19Å; Q447-G449 VanDerWaalsContact C-N 3.3Å; Q447-G449 PolarHBondContact O-N 3.43Å; G449-E451 PolarHBondContact O-N 2.72Å; G449-F452 PolarHBondContact O-N 2.94Å
450	L	95.8	Very high	93.9	Very high	22 Å²	22	70.4 Å²	70.4	12%	0.115	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.9	173.3	-64.8	179.1	0	0	0	112.3	Y446 Q447 H448 F452 G453 Q462 H501	Y446-L450 HydrophobicContact CE1-CD1 3.92Å; Y446-L450 HydrophobicContact CE1-CG 4.4Å; Y446-L450 HydrophobicContact CE2-CD2 4.07Å; Y446-L450 HydrophobicContact CE2-CG 4.49Å; Y446-L450 PolarHBondContact O-N 2.9Å; Y446-L450 VanDerWaalsContact O-N 3.16Å; Q447-L450 WeakPolarHBondContact O-CB 3.39Å; Q447-L450 PolarHBondContact O-N 2.71Å; H448-L450 PolarHBondContact O-N 2.71Å; L450-F452 VanDerWaalsContact C-N 3.25Å; L450-F452 PolarHBondContact O-N 3.26Å; L450-G453 PolarHBondContact O-N 2.97Å; L450-Q462 HydrophobicContact CD2-CB 4.12Å; L450-Q462 HydrophobicContact CD2-CG 3.82Å; L450-H501 HydrophobicContact CD2-CB 4.17Å
451	E	95.1	Very high	94	Very high	115 Å²	115	66.2 Å²	66.2	54%	0.537	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.9	176.5	-63.1	-169.1	171.5	0	0	112.9	H448 G449	H448-E451 VanDerWaalsContact O-CB 3.28Å; H448-E451 WeakPolarHBondContact O-CB 3.28Å; H448-E451 WeakPolarHBondContact O-CG 3.5Å; H448-E451 PolarHBondContact O-N 2.98Å; G449-E451 PolarHBondContact O-N 2.72Å
452	F	94.7	Very high	94.1	Very high	53 Å²	53	64.4 Å²	64.4	23%	0.232	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-25.2	-178.5	-56.7	-62.4	0	0	0	113.4	A406 I408 L411 H448 G449 L450 F463	A406-F452 WeakPolarHBondContact O-CE1 3.42Å; I408-F452 HydrophobicContact CD1-CB 4.37Å; I408-F452 HydrophobicContact CG1-CB 3.75Å; I408-F452 HydrophobicContact CG1-CG 4.16Å; L411-F452 HydrophobicContact CD1-CD2 3.65Å; L411-F452 HydrophobicContact CD1-CE2 3.81Å; H448-F452 AromaticContact CE1-CE2 3.61Å; H448-F452 AromaticContact CE1-CZ 3.6Å; H448-F452 AromaticContact ND1-CE2 3.82Å; G449-F452 PolarHBondContact O-N 2.94Å; L450-F452 VanDerWaalsContact C-N 3.25Å; L450-F452 PolarHBondContact O-N 3.26Å; F452-F463 HydrophobicContact CB-CD2 4.18Å
453	G	90.3	Very high	94.1	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	17.1	-174.6	0	0	0	0	0	115.1	L450 T455 C456 Q462	L450-G453 PolarHBondContact O-N 2.97Å; G453-T455 PolarHBondContact O-N 3.43Å; G453-T455 VanDerWaalsContact O-N 3.11Å; G453-C456 VanDerWaalsContact O-CB 3.31Å; G453-C456 WeakPolarHBondContact O-CB 3.47Å; G453-C456 PolarHBondContact O-N 2.71Å; G453-Q462 VanDerWaalsContact CA-OE1 3.23Å; G453-Q462 PolarHBondContact O-NE2 2.94Å; G453-Q462 PolarHBondContact O-OE1 3.33Å
454	K	92.2	Very high	94.2	Very high	167 Å²	167	66.8 Å²	66.8	73%	0.726	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.5	179.5	-69.7	-177.4	-179.6	170	0	114
455	T	91.9	Very high	94.4	Very high	133 Å²	133	61.8 Å²	61.8	82%	0.816	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	3.4	-178.9	57.3	0	0	0	0	113.6	G453	G453-T455 PolarHBondContact O-N 3.43Å; G453-T455 VanDerWaalsContact O-N 3.11Å
456	C	91.3	Very high	94.5	Very high	27 Å²	27	64 Å²	64	18%	0.182	32%	0.315	C	S	.	.			trans	-60.4	142.5	176.6	-74	0	0	0	0	110.7	G453 E460	G453-C456 VanDerWaalsContact O-CB 3.31Å; G453-C456 WeakPolarHBondContact O-CB 3.47Å; G453-C456 PolarHBondContact O-N 2.71Å; C456-E460 HydrophobicContact CB-CB 4.32Å
457	L	92.6	Very high	94.6	Very high	110 Å²	110	64 Å²	64	58%	0.576	32%	0.315	S	S	*	.			trans	-65	150.4	168.8	-65.6	171.6	0	0	0	108.9	T459 E460	L457-T459 PolarHBondContact O-N 2.87Å; L457-E460 HydrophobicContact CB-CG 4.22Å; L457-E460 PolarHBondContact O-N 2.86Å
458	K	90.5	Very high	94.8	Very high	174 Å²	174	60.6 Å²	60.6	76%	0.757	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.5	178.3	-67.3	-173.7	176.7	-174.7	0	114	P503 S504	K458-P503 HydrophobicContact CB-CG 4.32Å; K458-S504 PolarHBondContact O-OG 3.23Å
459	T	91.9	Very high	95	Very high	107 Å²	107	58.8 Å²	58.8	66%	0.656	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15	177.7	51.2	0	0	0	0	113.6	L457	L457-T459 PolarHBondContact O-N 2.87Å
460	E	92.9	Very high	95.2	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	29%	0.291	S	S	.	.	S	Bend	trans	-91.9	141.8	175.4	-66.6	171.7	-176.3	0	0	109.3	C456 L457	C456-E460 HydrophobicContact CB-CB 4.32Å; L457-E460 HydrophobicContact CB-CG 4.22Å; L457-E460 PolarHBondContact O-N 2.86Å
461	L	96.4	Very high	95.3	Very high	69 Å²	69	57.7 Å²	57.7	36%	0.361	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-74.1	149.2	175.6	-54.7	-174.3	0	0	0	110	N505	L461-N505 HydrophobicContact CD2-CB 3.77Å
462	Q	97.4	Very high	95.5	Very high	28 Å²	28	52.2 Å²	52.2	13%	0.131	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-67.5	143.6	169.4	-64.8	-69.1	-16.7	0	0	109.7	L450 G453 S464 D465	L450-Q462 HydrophobicContact CD2-CB 4.12Å; L450-Q462 HydrophobicContact CD2-CG 3.82Å; G453-Q462 VanDerWaalsContact CA-OE1 3.23Å; G453-Q462 PolarHBondContact O-NE2 2.94Å; G453-Q462 PolarHBondContact O-OE1 3.33Å; Q462-S464 PolarHBondContact O-N 2.94Å; Q462-S464 VanDerWaalsContact O-N 3.08Å; Q462-D465 WeakPolarHBondContact CB-OD1 3.44Å; Q462-D465 PolarHBondContact N-OD2 3.34Å; Q462-D465 PolarHBondContact O-N 3.43Å
463	F	96.9	Very high	95.6	Very high	75 Å²	75	50 Å²	50	33%	0.329	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.5	-178.3	-58	-68.5	0	0	0	113.5	I408 L411 F452	I408-F463 HydrophobicContact CD1-CD2 4.09Å; I408-F463 HydrophobicContact CD1-CE1 4.4Å; I408-F463 HydrophobicContact CD1-CE2 3.67Å; I408-F463 HydrophobicContact CD1-CZ 3.85Å; I408-F463 HydrophobicContact CG1-CD2 4.08Å; I408-F463 HydrophobicContact CG1-CE2 4.19Å; I408-F463 HydrophobicContact CG1-CG 4.38Å; I408-F463 HydrophobicContact CG2-CB 4.24Å; I408-F463 HydrophobicContact CG2-CD1 3.56Å; I408-F463 HydrophobicContact CG2-CD2 4.29Å; I408-F463 HydrophobicContact CG2-CE1 3.93Å; I408-F463 HydrophobicContact CG2-CG 3.77Å; I408-F463 HydrophobicContact CG2-CZ 4.43Å; L411-F463 HydrophobicContact CD2-CB 4.33Å; L411-F463 VanDerWaalsContact CD2-O 3.28Å; L411-F463 WeakPolarHBondContact CD2-O 3.38Å; F452-F463 HydrophobicContact CB-CD2 4.18Å
464	S	97.4	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	2.7	-176.4	57	0	0	0	0	115.2	Y446 Q462 Y466 Y467	Y446-S464 WeakPolarHBondContact CD2-O 3.49Å; Y446-S464 PolarHBondContact O-OG 3.45Å; Y446-S464 VanDerWaalsContact O-OG 3.07Å; Q462-S464 PolarHBondContact O-N 2.94Å; Q462-S464 VanDerWaalsContact O-N 3.08Å; S464-Y466 PolarHBondContact O-N 2.84Å; S464-Y467 WeakPolarHBondContact O-CB 3.3Å; S464-Y467 PolarHBondContact O-N 3.33Å
465	D	98.3	Very high	96.3	Very high	2 Å²	2	42 Å²	42	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-52.4	-36	-174.3	-84.7	-15.8	0	0	0	113.7	Q462 Y467 C468 L469 S502 N505 F508	Q462-D465 WeakPolarHBondContact CB-OD1 3.44Å; Q462-D465 PolarHBondContact N-OD2 3.34Å; Q462-D465 PolarHBondContact O-N 3.43Å; D465-Y467 VanDerWaalsContact C-N 3.26Å; D465-Y467 PolarHBondContact O-N 3.42Å; D465-C468 WeakPolarHBondContact O-CB 3.41Å; D465-C468 PolarHBondContact O-N 3.42Å; D465-C468 VanDerWaalsContact O-N 3.1Å; D465-L469 PolarHBondContact O-N 3.43Å; D465-S502 WeakPolarHBondContact OD1-CB 3.19Å; D465-S502 WeakPolarHBondContact OD2-CB 3.45Å; D465-S502 PolarHBondContact OD2-OG 2.93Å; D465-N505 WeakPolarHBondContact CB-ND2 3.3Å; D465-N505 PolarHBondContact OD2-ND2 2.88Å; D465-F508 HydrophobicContact CB-CE2 4.2Å; D465-F508 HydrophobicContact CB-CZ 3.89Å
466	Y	98.5	Very high	96.6	Very high	53 Å²	53	35.8 Å²	35.8	21%	0.208	18%	0.177	C	C	.	.	H	α-helix	trans	-73.1	-16.7	-177.4	-62.1	-10.2	0	0	0	113.6	L415 S464 C468 L469 L470 F662 W664	L415-Y466 HydrophobicContact CD2-CD2 4.15Å; L415-Y466 HydrophobicContact CD2-CG 4.43Å; S464-Y466 PolarHBondContact O-N 2.84Å; Y466-C468 VanDerWaalsContact C-N 3.33Å; Y466-L469 HydrophobicContact CD1-CD1 3.55Å; Y466-L469 HydrophobicContact CD1-CG 4.47Å; Y466-L469 HydrophobicContact CE1-CD1 4.01Å; Y466-L469 HydrophobicContact CG-CD1 4.45Å; Y466-L469 PolarHBondContact O-N 3.07Å; Y466-L470 WeakPolarHBondContact O-CB 3.41Å; Y466-L470 WeakPolarHBondContact O-CD1 3.48Å; Y466-L470 WeakPolarHBondContact O-CG 3.45Å; Y466-L470 PolarHBondContact O-N 2.92Å; Y466-F662 HydrophobicContact CE1-CD2 4.37Å; Y466-F662 HydrophobicContact CE1-CE2 4.3Å; Y466-F662 AromaticContact CZ-CE2 3.88Å; Y466-F662 WeakPolarHBondContact OH-CE2 3.38Å; Y466-W664 HydrophobicContact CD2-CZ2 4.17Å; Y466-W664 HydrophobicContact CG-CH2 4.24Å; Y466-W664 HydrophobicContact CG-CZ2 4.14Å
467	Y	98.6	Very high	96.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-42.1	166.7	-76	-69.7	0	0	0	111.3	L411 H414 L415 V418 L442 R445 S464 D465 L470 A471	L411-Y467 HydrophobicContact CD2-CE2 3.98Å; L411-Y467 HydrophobicContact CG-CE2 4.07Å; L411-Y467 PolarHBondContact O-OH 3.05Å; H414-Y467 WeakPolarHBondContact CB-OH 3.33Å; H414-Y467 AromaticContact ND1-CE1 3.75Å; H414-Y467 AromaticContact ND1-CZ 3.7Å; H414-Y467 PolarHBondContact ND1-OH 3.2Å; L415-Y467 HydrophobicContact CB-CE2 4.09Å; L415-Y467 HydrophobicContact CD1-CD1 4.13Å; L415-Y467 HydrophobicContact CD1-CD2 4.22Å; L415-Y467 HydrophobicContact CD1-CE1 4.12Å; L415-Y467 HydrophobicContact CD1-CE2 4.19Å; L415-Y467 HydrophobicContact CD1-CG 4.18Å; L415-Y467 PolarHBondContact N-OH 2.95Å; L415-Y467 VanDerWaalsContact N-OH 3.17Å; V418-Y467 HydrophobicContact CG2-CE1 4.08Å; L442-Y467 HydrophobicContact CD2-CD1 3.73Å; L442-Y467 HydrophobicContact CD2-CE1 4.27Å; R445-Y467 HydrophobicContact CB-CD1 3.97Å; R445-Y467 HydrophobicContact CB-CD2 4.31Å; R445-Y467 HydrophobicContact CB-CE1 4Å; R445-Y467 HydrophobicContact CB-CE2 4.35Å; R445-Y467 HydrophobicContact CB-CG 4.14Å; R445-Y467 HydrophobicContact CG-CE1 4.44Å; S464-Y467 WeakPolarHBondContact O-CB 3.3Å; S464-Y467 PolarHBondContact O-N 3.33Å; D465-Y467 VanDerWaalsContact C-N 3.26Å; D465-Y467 PolarHBondContact O-N 3.42Å; Y467-L470 PolarHBondContact O-N 3.42Å; Y467-A471 WeakPolarHBondContact O-CB 3.45Å; Y467-A471 PolarHBondContact O-N 3.3Å
468	C	98.4	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-45.7	175.1	175.9	0	0	0	0	110.8	M443 Y446 D465 Y466 L470 A471 V472 L494 F508	M443-C468 HydrophobicContact SD-CB 4.47Å; Y446-C468 HydrophobicContact CD2-CB 3.85Å; Y446-C468 HydrophobicContact CE2-CB 4.09Å; Y446-C468 HydrophobicContact CG-CB 4.17Å; D465-C468 WeakPolarHBondContact O-CB 3.41Å; D465-C468 PolarHBondContact O-N 3.42Å; D465-C468 VanDerWaalsContact O-N 3.1Å; Y466-C468 VanDerWaalsContact C-N 3.33Å; C468-L470 VanDerWaalsContact C-N 3.34Å; C468-L470 PolarHBondContact O-N 3.28Å; C468-A471 WeakPolarHBondContact O-CB 3.46Å; C468-A471 PolarHBondContact O-N 3.05Å; C468-A471 VanDerWaalsContact O-N 3.17Å; C468-V472 VanDerWaalsContact O-CG2 3.29Å; C468-V472 WeakPolarHBondContact O-CG2 3.28Å; C468-V472 PolarHBondContact O-N 3.01Å; C468-L494 PolarHBondContact SG-O 3.48Å; C468-L494 VanDerWaalsContact SG-O 3.34Å; C468-F508 HydrophobicContact CB-CE1 4.04Å; C468-F508 HydrophobicContact CB-CZ 3.96Å
469	L	98.4	Very high	97.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-43.7	176.2	-67.8	178.9	0	0	0	112.7	D465 Y466 V472 H473 L495 Q507 F508 L511 W664	D465-L469 PolarHBondContact O-N 3.43Å; Y466-L469 HydrophobicContact CD1-CD1 3.55Å; Y466-L469 HydrophobicContact CD1-CG 4.47Å; Y466-L469 HydrophobicContact CE1-CD1 4.01Å; Y466-L469 HydrophobicContact CG-CD1 4.45Å; Y466-L469 PolarHBondContact O-N 3.07Å; L469-V472 PolarHBondContact O-N 3.14Å; L469-H473 PolarHBondContact O-CD2 2.88Å; L469-H473 VanDerWaalsContact O-CG 3.28Å; L469-H473 PolarHBondContact O-N 3.25Å; L469-L495 HydrophobicContact CD2-CD2 4.35Å; L469-Q507 HydrophobicContact CD1-CB 3.7Å; L469-Q507 HydrophobicContact CD1-CG 4.24Å; L469-Q507 HydrophobicContact CD2-CB 4.07Å; L469-F508 HydrophobicContact CD2-CD1 3.37Å; L469-F508 HydrophobicContact CD2-CE1 3.46Å; L469-F508 VanDerWaalsContact CD2-CE1 3.46Å; L469-F508 HydrophobicContact CG-CD1 4.04Å; L469-F508 HydrophobicContact CG-CE1 3.62Å; L469-L511 HydrophobicContact CD2-CD1 3.48Å; L469-L511 VanDerWaalsContact CD2-CD1 3.48Å; L469-W664 HydrophobicContact CB-CH2 3.78Å; L469-W664 HydrophobicContact CB-CZ3 3.73Å; L469-W664 HydrophobicContact CD1-CH2 3.83Å; L469-W664 HydrophobicContact CD1-CZ3 4.49Å; L469-W664 HydrophobicContact CG-CH2 4.47Å
470	L	98.7	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-40.9	176.8	-77.7	158.9	0	0	0	111.9	L415 V418 Q419 R422 L442 Y466 Y467 C468 V472 H473 V474 W664	L415-L470 HydrophobicContact CD1-CD1 3.84Å; V418-L470 HydrophobicContact CB-CD1 4.33Å; V418-L470 HydrophobicContact CG1-CD1 3.55Å; Q419-L470 HydrophobicContact CG-CD1 3.97Å; R422-L470 HydrophobicContact CB-CD2 4.26Å; R422-L470 HydrophobicContact CG-CD2 4.33Å; L442-L470 HydrophobicContact CD1-CB 3.95Å; Y466-L470 WeakPolarHBondContact O-CB 3.41Å; Y466-L470 WeakPolarHBondContact O-CD1 3.48Å; Y466-L470 WeakPolarHBondContact O-CG 3.45Å; Y466-L470 PolarHBondContact O-N 2.92Å; Y467-L470 PolarHBondContact O-N 3.42Å; C468-L470 VanDerWaalsContact C-N 3.34Å; C468-L470 PolarHBondContact O-N 3.28Å; L470-V472 VanDerWaalsContact C-N 3.34Å; L470-H473 PolarHBondContact O-N 2.79Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 3.45Å; L470-V474 VanDerWaalsContact O-N 3.09Å; L470-W664 HydrophobicContact CD2-CB 4.35Å; L470-W664 HydrophobicContact CD2-CD2 4Å; L470-W664 HydrophobicContact CD2-CE3 3.55Å; L470-W664 HydrophobicContact CD2-CG 4.33Å; L470-W664 HydrophobicContact CD2-CZ3 4.16Å; L470-W664 HydrophobicContact CG-CD2 4.46Å; L470-W664 HydrophobicContact CG-CE3 3.87Å; L470-W664 HydrophobicContact CG-CZ3 3.96Å
471	A	98.5	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175	0	0	0	0	0	111.2	V439 L442 M443 Y467 C468 V474 L475 L494	V439-A471 HydrophobicContact CG1-CB 4.29Å; L442-A471 HydrophobicContact CB-CB 4Å; L442-A471 HydrophobicContact CD1-CB 4.2Å; M443-A471 HydrophobicContact CG-CB 4.14Å; M443-A471 HydrophobicContact SD-CB 3.92Å; Y467-A471 WeakPolarHBondContact O-CB 3.45Å; Y467-A471 PolarHBondContact O-N 3.3Å; C468-A471 WeakPolarHBondContact O-CB 3.46Å; C468-A471 PolarHBondContact O-N 3.05Å; C468-A471 VanDerWaalsContact O-N 3.17Å; A471-V474 PolarHBondContact O-N 2.83Å; A471-L475 WeakPolarHBondContact O-CG 3.44Å; A471-L475 PolarHBondContact O-N 3.38Å; A471-L494 HydrophobicContact CB-CD1 4.3Å
472	V	98.6	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-46.8	175.9	167.1	0	0	0	0	111.2	C468 L469 L470 V474 L475 I476 A491 L494 L495 L511 I515	C468-V472 VanDerWaalsContact O-CG2 3.29Å; C468-V472 WeakPolarHBondContact O-CG2 3.28Å; C468-V472 PolarHBondContact O-N 3.01Å; L469-V472 PolarHBondContact O-N 3.14Å; L470-V472 VanDerWaalsContact C-N 3.34Å; V472-V474 VanDerWaalsContact C-N 3.31Å; V472-V474 PolarHBondContact O-N 3.21Å; V472-L475 PolarHBondContact O-N 3.33Å; V472-L475 VanDerWaalsContact O-N 3.16Å; V472-I476 HydrophobicContact CG1-CG1 4.32Å; V472-I476 VanDerWaalsContact O-CG1 3.32Å; V472-I476 WeakPolarHBondContact O-CG1 3.36Å; V472-I476 PolarHBondContact O-N 3.37Å; V472-A491 HydrophobicContact CG1-CB 4.24Å; V472-L494 HydrophobicContact CG2-CB 4.1Å; V472-L495 HydrophobicContact CB-CD2 4.47Å; V472-L495 HydrophobicContact CG1-CD1 4.08Å; V472-L495 HydrophobicContact CG1-CD2 4.26Å; V472-L495 HydrophobicContact CG1-CG 4.21Å; V472-L495 HydrophobicContact CG2-CD1 4.49Å; V472-L495 HydrophobicContact CG2-CD2 3.83Å; V472-L495 HydrophobicContact CG2-CG 3.75Å; V472-L511 HydrophobicContact CG1-CD1 4.2Å; V472-I515 HydrophobicContact CG1-CD1 4.44Å
473	H	98.4	Very high	97	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-41.3	177.9	-65.8	172.3	0	0	0	112	L469 L470 I476 D477 F662 W664	L469-H473 PolarHBondContact O-CD2 2.88Å; L469-H473 VanDerWaalsContact O-CG 3.28Å; L469-H473 PolarHBondContact O-N 3.25Å; L470-H473 PolarHBondContact O-N 2.79Å; H473-I476 PolarHBondContact O-N 2.91Å; H473-D477 PolarHBondContact O-N 3.37Å; H473-D477 VanDerWaalsContact O-OD2 3.13Å; H473-F662 PolarHBondContact CE1-O 2.98Å; H473-W664 AromaticContact CE1-CE3 3.73Å; H473-W664 AromaticContact CE1-CZ3 3.51Å; H473-W664 AromaticContact ND1-CE3 3.6Å; H473-W664 AromaticContact ND1-CZ3 3.71Å
474	V	98.3	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-40.5	175.5	177.5	0	0	0	0	111.6	Y427 K435 V439 L470 A471 V472 D477 V478	Y427-V474 HydrophobicContact CD2-CG2 4.33Å; K435-V474 HydrophobicContact CB-CG1 3.71Å; K435-V474 HydrophobicContact CG-CG1 4.14Å; V439-V474 HydrophobicContact CG2-CB 3.83Å; V439-V474 HydrophobicContact CG2-CG1 3.64Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 3.45Å; L470-V474 VanDerWaalsContact O-N 3.09Å; A471-V474 PolarHBondContact O-N 2.83Å; V472-V474 VanDerWaalsContact C-N 3.31Å; V472-V474 PolarHBondContact O-N 3.21Å; V474-D477 WeakPolarHBondContact O-CB 3.34Å; V474-D477 PolarHBondContact O-N 2.7Å; V474-V478 WeakPolarHBondContact O-CG2 3.36Å; V474-V478 PolarHBondContact O-N 2.87Å
475	L	98.1	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-41.5	175.3	-74.8	171.8	0	0	0	112.2	L436 V439 A471 V472 D477 V478 W479 A487 Q490 A491 L494	L436-L475 HydrophobicContact CD2-CD2 3.9Å; V439-L475 HydrophobicContact CG1-CD1 4.04Å; V439-L475 HydrophobicContact CG1-CD2 4.06Å; V439-L475 HydrophobicContact CG1-CG 3.96Å; V439-L475 HydrophobicContact CG2-CD2 4.02Å; V439-L475 HydrophobicContact CG2-CG 3.86Å; A471-L475 WeakPolarHBondContact O-CG 3.44Å; A471-L475 PolarHBondContact O-N 3.38Å; V472-L475 PolarHBondContact O-N 3.33Å; V472-L475 VanDerWaalsContact O-N 3.16Å; L475-D477 VanDerWaalsContact C-N 3.33Å; L475-D477 PolarHBondContact O-N 2.86Å; L475-V478 PolarHBondContact O-N 3.15Å; L475-W479 PolarHBondContact O-N 2.86Å; L475-A487 HydrophobicContact CB-CB 4.5Å; L475-A487 HydrophobicContact CD2-CB 4.14Å; L475-Q490 HydrophobicContact CD1-CB 4.04Å; L475-Q490 HydrophobicContact CD1-CG 3.87Å; L475-A491 HydrophobicContact CB-CB 4.12Å; L475-A491 HydrophobicContact CD1-CB 4.12Å; L475-L494 HydrophobicContact CD1-CD1 3.63Å
476	I	97.6	Very high	95.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-36.8	176.5	-64.8	-59.9	0	0	0	111.2	V472 H473 V478 W479 R480 V488 A491 I515 F753	V472-I476 HydrophobicContact CG1-CG1 4.32Å; V472-I476 VanDerWaalsContact O-CG1 3.32Å; V472-I476 WeakPolarHBondContact O-CG1 3.36Å; V472-I476 PolarHBondContact O-N 3.37Å; H473-I476 PolarHBondContact O-N 2.91Å; I476-V478 VanDerWaalsContact C-N 3.35Å; I476-W479 HydrophobicContact CD1-CE3 4.15Å; I476-W479 HydrophobicContact CG2-CE3 4.3Å; I476-W479 PolarHBondContact O-N 3.28Å; I476-R480 HydrophobicContact CG2-CG 4.32Å; I476-R480 WeakPolarHBondContact O-CG 3.5Å; I476-R480 PolarHBondContact O-N 3.31Å; I476-V488 HydrophobicContact CD1-CG2 4.3Å; I476-A491 HydrophobicContact CD1-CB 4.11Å; I476-A491 HydrophobicContact CG1-CB 4.5Å; I476-I515 HydrophobicContact CD1-CD1 3.89Å; I476-I515 HydrophobicContact CD1-CG1 4.15Å; I476-I515 HydrophobicContact CG1-CD1 4.39Å; I476-F753 HydrophobicContact CB-CD1 4.47Å; I476-F753 HydrophobicContact CB-CE1 4.45Å; I476-F753 HydrophobicContact CD1-CZ 4.37Å; I476-F753 HydrophobicContact CG1-CE1 4.18Å; I476-F753 HydrophobicContact CG1-CZ 4.18Å; I476-F753 HydrophobicContact CG2-CB 4.12Å; I476-F753 HydrophobicContact CG2-CD1 3.63Å; I476-F753 HydrophobicContact CG2-CD2 3.62Å; I476-F753 HydrophobicContact CG2-CE1 3.89Å; I476-F753 HydrophobicContact CG2-CE2 3.86Å; I476-F753 HydrophobicContact CG2-CG 3.5Å; I476-F753 VanDerWaalsContact CG2-CG 3.5Å; I476-F753 HydrophobicContact CG2-CZ 4Å
477	D	96.3	Very high	95.4	Very high	18 Å²	18	24.5 Å²	24.5	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-45.9	172	-60	-36.3	0	0	0	111.1	R422 H428 H473 V474 L475 W479 R480 E481	R422-D477 IonicContact CZ-OD2 3.57Å; R422-D477 IonicContact NH1-OD2 3.55Å; R422-D477 PolarHBondContact NH1-OD2 3.2Å; R422-D477 IonicContact NH2-OD1 2.72Å; R422-D477 PolarHBondContact NH2-OD1 3.37Å; R422-D477 IonicContact NH2-OD2 3.79Å; R422-D477 PolarHBondContact NH2-OD2 3.01Å; H428-D477 IonicContact NE2-OD2 2.77Å; H473-D477 PolarHBondContact O-N 3.37Å; H473-D477 VanDerWaalsContact O-OD2 3.13Å; V474-D477 WeakPolarHBondContact O-CB 3.34Å; V474-D477 PolarHBondContact O-N 2.7Å; L475-D477 VanDerWaalsContact C-N 3.33Å; L475-D477 PolarHBondContact O-N 2.86Å; D477-W479 VanDerWaalsContact C-N 3.34Å; D477-W479 PolarHBondContact O-N 3.16Å; D477-R480 PolarHBondContact O-N 3.36Å; D477-E481 VanDerWaalsContact O-CB 3.27Å; D477-E481 WeakPolarHBondContact O-CB 3.31Å; D477-E481 VanDerWaalsContact O-CG 3.25Å; D477-E481 WeakPolarHBondContact O-CG 3.43Å; D477-E481 PolarHBondContact O-N 3.05Å
478	V	97.4	Very high	95.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-45.6	177.3	172	0	0	0	0	110.7	K432 K435 V474 L475 I476 T482 A487	K432-V478 HydrophobicContact CD-CG1 4.39Å; K432-V478 HydrophobicContact CG-CG1 4.06Å; K435-V478 HydrophobicContact CB-CG2 3.86Å; K435-V478 HydrophobicContact CD-CG2 3.87Å; V474-V478 WeakPolarHBondContact O-CG2 3.36Å; V474-V478 PolarHBondContact O-N 2.87Å; L475-V478 PolarHBondContact O-N 3.15Å; I476-V478 VanDerWaalsContact C-N 3.35Å; V478-T482 WeakPolarHBondContact O-CB 3.41Å; V478-T482 PolarHBondContact O-N 3.29Å; V478-T482 PolarHBondContact O-OG1 3.19Å; V478-A487 HydrophobicContact CB-CB 4.42Å; V478-A487 HydrophobicContact CG1-CB 4.22Å
479	W	96.3	Very high	95	Very high	33 Å²	33	25.2 Å²	25.2	13%	0.125	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-48.5	176.7	172.3	57.1	0	0	0	111.8	L475 I476 D477 G483 E485 A487 V488 M518	L475-W479 PolarHBondContact O-N 2.86Å; I476-W479 HydrophobicContact CD1-CE3 4.15Å; I476-W479 HydrophobicContact CG2-CE3 4.3Å; I476-W479 PolarHBondContact O-N 3.28Å; D477-W479 VanDerWaalsContact C-N 3.34Å; D477-W479 PolarHBondContact O-N 3.16Å; W479-G483 WeakPolarHBondContact O-CA 3.49Å; W479-G483 PolarHBondContact O-N 3.4Å; W479-E485 PolarHBondContact NE1-OE1 3.39Å; W479-E485 PolarHBondContact NE1-OE2 3.09Å; W479-A487 HydrophobicContact CB-CB 4.26Å; W479-V488 HydrophobicContact CD2-CB 4.12Å; W479-V488 HydrophobicContact CD2-CG2 4.49Å; W479-V488 HydrophobicContact CG-CB 4.13Å; W479-M518 HydrophobicContact CH2-CB 4.3Å; W479-M518 HydrophobicContact CH2-CE 3.72Å; W479-M518 HydrophobicContact CH2-SD 4.38Å; W479-M518 HydrophobicContact CZ3-CE 3.87Å; W479-M518 HydrophobicContact CZ3-SD 4.31Å
480	R	94.3	Very high	94.8	Very high	108 Å²	108	27.7 Å²	27.7	41%	0.408	15%	0.147	S	C	.	.	H	α-helix	trans	-70.1	-34.3	-177.9	-68.9	-166.8	72.3	-173.3	3.7	113.8	I476 D477 Y751 P752	I476-R480 HydrophobicContact CG2-CG 4.32Å; I476-R480 WeakPolarHBondContact O-CG 3.5Å; I476-R480 PolarHBondContact O-N 3.31Å; D477-R480 PolarHBondContact O-N 3.36Å; R480-Y751 PolarHBondContact NH1-O 3.06Å; R480-Y751 PolarHBondContact NH2-O 3.41Å; R480-P752 VanDerWaalsContact NH1-C 3.34Å
481	E	94	Very high	94.7	Very high	94 Å²	94	27.7 Å²	27.7	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-81.6	-27.5	-178.9	-69.3	173.8	-177.6	0	0	112.7	K435 D477 R669	K435-E481 IonicContact NZ-OE1 2.9Å; K435-E481 PolarHBondContact NZ-OE1 3.28Å; K435-E481 IonicContact NZ-OE2 3.32Å; K435-E481 PolarHBondContact NZ-OE2 2.98Å; D477-E481 VanDerWaalsContact O-CB 3.27Å; D477-E481 WeakPolarHBondContact O-CB 3.31Å; D477-E481 VanDerWaalsContact O-CG 3.25Å; D477-E481 WeakPolarHBondContact O-CG 3.43Å; D477-E481 PolarHBondContact O-N 3.05Å; E481-R669 IonicContact OE1-CZ 2.68Å; E481-R669 IonicContact OE1-NH1 2.8Å; E481-R669 IonicContact OE1-NH2 3.79Å; E481-R669 PolarHBondContact OE1-NH2 3.07Å; E481-R669 VanDerWaalsContact OE1-NH2 3.11Å
482	T	93.9	Very high	94.7	Very high	72 Å²	72	27.7 Å²	27.7	44%	0.442	15%	0.147	S	C	.	.	H	α-helix	trans	-118.8	-14.1	-173	71.6	0	0	0	0	115	K432 V478 D484	K432-T482 HydrophobicContact CD-CG2 4.34Å; V478-T482 WeakPolarHBondContact O-CB 3.41Å; V478-T482 PolarHBondContact O-N 3.29Å; V478-T482 PolarHBondContact O-OG1 3.19Å; T482-D484 VanDerWaalsContact C-N 3.26Å; T482-D484 VanDerWaalsContact OG1-CB 3.31Å; T482-D484 WeakPolarHBondContact OG1-CB 3.11Å; T482-D484 PolarHBondContact OG1-N 3.41Å
483	G	90.3	Very high	94.5	Very high	51 Å²	51	27.8 Å²	27.8	53%	0.526	15%	0.148	S	C	.	.			trans	71.1	18.5	-172.3	0	0	0	0	0	113.9	W479 E485	W479-G483 WeakPolarHBondContact O-CA 3.49Å; W479-G483 PolarHBondContact O-N 3.4Å; G483-E485 PolarHBondContact O-N 3.38Å
484	D	88.9	Confident	94.4	Very high	37 Å²	37	27.6 Å²	27.6	20%	0.198	15%	0.147	C	C	.	.			trans	-80.8	102.5	-177	-171.3	6.3	0	0	0	112.2	K432 T482 T486 A487	K432-D484 VanDerWaalsContact CE-OD2 3.31Å; K432-D484 WeakPolarHBondContact CE-OD2 3.25Å; K432-D484 IonicContact NZ-OD2 3.65Å; K432-D484 PolarHBondContact NZ-OD2 3.34Å; T482-D484 VanDerWaalsContact C-N 3.26Å; T482-D484 VanDerWaalsContact OG1-CB 3.31Å; T482-D484 WeakPolarHBondContact OG1-CB 3.11Å; T482-D484 PolarHBondContact OG1-N 3.41Å; D484-T486 PolarHBondContact O-N 3.17Å; D484-T486 PolarHBondContact OD1-N 2.9Å; D484-T486 PolarHBondContact OD1-OG1 3.32Å; D484-T486 PolarHBondContact OD2-OG1 3.06Å; D484-A487 WeakPolarHBondContact O-CB 3.24Å; D484-A487 PolarHBondContact O-N 3.25Å
485	E	88	Confident	94.4	Very high	38 Å²	38	27.5 Å²	27.5	18%	0.178	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-21.7	-177.8	-60.9	-61.1	166.7	0	0	113.5	W479 G483 A487 V488 W489 K832	W479-E485 PolarHBondContact NE1-OE1 3.39Å; W479-E485 PolarHBondContact NE1-OE2 3.09Å; G483-E485 PolarHBondContact O-N 3.38Å; E485-A487 PolarHBondContact O-N 3.04Å; E485-V488 WeakPolarHBondContact O-CG1 3.43Å; E485-V488 PolarHBondContact O-N 2.97Å; E485-V488 WeakPolarHBondContact OE2-CG1 3.44Å; E485-W489 PolarHBondContact O-N 2.91Å; E485-K832 HydrophobicContact CG-CG 4.21Å
486	T	88.8	Confident	94.4	Very high	51 Å²	51	28.2 Å²	28.2	31%	0.313	15%	0.15	S	C	.	.	H	α-helix	trans	-64.6	-30.8	178	63.6	0	0	0	0	111.5	D484 W489 Q490 N830	D484-T486 PolarHBondContact O-N 3.17Å; D484-T486 PolarHBondContact OD1-N 2.9Å; D484-T486 PolarHBondContact OD1-OG1 3.32Å; D484-T486 PolarHBondContact OD2-OG1 3.06Å; T486-W489 PolarHBondContact O-N 3.21Å; T486-Q490 PolarHBondContact O-N 3.47Å; T486-N830 HydrophobicContact CG2-CB 4.44Å; T486-N830 VanDerWaalsContact CG2-OD1 3.29Å; T486-N830 WeakPolarHBondContact CG2-OD1 3.33Å
487	A	92.8	Very high	94.2	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-37.3	179.5	0	0	0	0	0	112.5	L475 V478 W479 D484 E485 Q490 A491	L475-A487 HydrophobicContact CB-CB 4.5Å; L475-A487 HydrophobicContact CD2-CB 4.14Å; V478-A487 HydrophobicContact CB-CB 4.42Å; V478-A487 HydrophobicContact CG1-CB 4.22Å; W479-A487 HydrophobicContact CB-CB 4.26Å; D484-A487 WeakPolarHBondContact O-CB 3.24Å; D484-A487 PolarHBondContact O-N 3.25Å; E485-A487 PolarHBondContact O-N 3.04Å; A487-Q490 PolarHBondContact O-N 3.46Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.23Å
488	V	95.1	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.7	-36.1	178.3	66	0	0	0	0	111.8	I476 W479 E485 A491 L492 I515 L519	I476-V488 HydrophobicContact CD1-CG2 4.3Å; W479-V488 HydrophobicContact CD2-CB 4.12Å; W479-V488 HydrophobicContact CD2-CG2 4.49Å; W479-V488 HydrophobicContact CG-CB 4.13Å; E485-V488 WeakPolarHBondContact O-CG1 3.43Å; E485-V488 PolarHBondContact O-N 2.97Å; E485-V488 WeakPolarHBondContact OE2-CG1 3.44Å; V488-A491 PolarHBondContact O-N 2.84Å; V488-L492 PolarHBondContact O-N 3.33Å; V488-I515 HydrophobicContact CG2-CG2 3.46Å; V488-I515 VanDerWaalsContact CG2-CG2 3.46Å; V488-L519 HydrophobicContact CG1-CD2 4.07Å; V488-L519 HydrophobicContact CG2-CD1 4.21Å; V488-L519 HydrophobicContact CG2-CD2 4.16Å; V488-L519 HydrophobicContact CG2-CG 4.34Å
489	W	93.1	Very high	94.2	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-46.6	171.6	-66.7	117.6	0	0	0	111.4	E485 T486 A491 L492 T493 L519 L831 T833 V941 Q942 V945	E485-W489 PolarHBondContact O-N 2.91Å; T486-W489 PolarHBondContact O-N 3.21Å; W489-A491 VanDerWaalsContact C-N 3.32Å; W489-A491 PolarHBondContact O-N 3.05Å; W489-L492 HydrophobicContact CE3-CD1 4.24Å; W489-L492 HydrophobicContact CZ3-CD1 4.35Å; W489-L492 PolarHBondContact O-N 2.94Å; W489-T493 WeakPolarHBondContact O-CG2 3.45Å; W489-T493 PolarHBondContact O-N 3.08Å; W489-L519 HydrophobicContact CH2-CD1 4.3Å; W489-L519 HydrophobicContact CZ3-CD1 4.22Å; W489-L831 HydrophobicContact CH2-CD2 3.71Å; W489-L831 HydrophobicContact CH2-CG 4.4Å; W489-L831 HydrophobicContact CZ2-CB 4.04Å; W489-L831 HydrophobicContact CZ2-CD2 3.56Å; W489-L831 HydrophobicContact CZ2-CG 3.76Å; W489-L831 PolarHBondContact NE1-O 3.46Å; W489-T833 HydrophobicContact CH2-CG2 3.73Å; W489-T833 HydrophobicContact CZ2-CG2 3.46Å; W489-T833 VanDerWaalsContact CZ2-CG2 3.46Å; W489-V941 HydrophobicContact CE3-CG1 3.76Å; W489-V941 HydrophobicContact CZ3-CG1 3.86Å; W489-Q942 HydrophobicContact CE3-CG 4.11Å; W489-Q942 HydrophobicContact CZ3-CG 4.08Å; W489-V945 HydrophobicContact CH2-CB 4.14Å; W489-V945 HydrophobicContact CH2-CG1 4.11Å; W489-V945 HydrophobicContact CH2-CG2 3.95Å; W489-V945 HydrophobicContact CZ3-CB 4.35Å; W489-V945 HydrophobicContact CZ3-CG2 3.8Å
490	Q	94.1	Very high	94.1	Very high	52 Å²	52	31.3 Å²	31.3	24%	0.243	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-45.6	175.2	-170	172.3	27	0	0	110.8	L475 T486 A487 L492 T493 L494 E934	L475-Q490 HydrophobicContact CD1-CB 4.04Å; L475-Q490 HydrophobicContact CD1-CG 3.87Å; T486-Q490 PolarHBondContact O-N 3.47Å; A487-Q490 PolarHBondContact O-N 3.46Å; Q490-L492 VanDerWaalsContact C-N 3.33Å; Q490-L492 PolarHBondContact O-N 3.46Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.4Å; Q490-T493 PolarHBondContact O-N 2.88Å; Q490-T493 PolarHBondContact O-OG1 2.96Å; Q490-L494 HydrophobicContact CG-CD1 4.45Å; Q490-L494 HydrophobicContact CG-CG 4.38Å; Q490-L494 WeakPolarHBondContact O-CG 3.24Å; Q490-L494 PolarHBondContact O-N 3.23Å; Q490-E934 PolarHBondContact NE2-OE1 2.87Å
491	A	97.3	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56	-44.3	177.3	0	0	0	0	0	112.8	V472 L475 I476 A487 V488 W489 T493 L494 L495	V472-A491 HydrophobicContact CG1-CB 4.24Å; L475-A491 HydrophobicContact CB-CB 4.12Å; L475-A491 HydrophobicContact CD1-CB 4.12Å; I476-A491 HydrophobicContact CD1-CB 4.11Å; I476-A491 HydrophobicContact CG1-CB 4.5Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.23Å; V488-A491 PolarHBondContact O-N 2.84Å; W489-A491 VanDerWaalsContact C-N 3.32Å; W489-A491 PolarHBondContact O-N 3.05Å; A491-T493 PolarHBondContact O-N 3.43Å; A491-L494 PolarHBondContact O-N 2.87Å; A491-L495 VanDerWaalsContact O-CG 3.31Å; A491-L495 WeakPolarHBondContact O-CG 3.41Å; A491-L495 PolarHBondContact O-N 3.41Å
492	L	97.1	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-40.2	175.3	-76.4	175.4	0	0	0	112.6	V488 W489 Q490 L495 E496 L512 I515 Y516 L519 V941	V488-L492 PolarHBondContact O-N 3.33Å; W489-L492 HydrophobicContact CE3-CD1 4.24Å; W489-L492 HydrophobicContact CZ3-CD1 4.35Å; W489-L492 PolarHBondContact O-N 2.94Å; Q490-L492 VanDerWaalsContact C-N 3.33Å; Q490-L492 PolarHBondContact O-N 3.46Å; L492-L495 PolarHBondContact O-N 2.91Å; L492-E496 WeakPolarHBondContact O-CG 3.43Å; L492-E496 PolarHBondContact O-N 2.98Å; L492-L512 HydrophobicContact CD2-CD2 3.66Å; L492-I515 HydrophobicContact CD1-CG2 4.02Å; L492-I515 HydrophobicContact CD2-CB 3.85Å; L492-I515 HydrophobicContact CD2-CG2 3.56Å; L492-I515 HydrophobicContact CG-CB 4.49Å; L492-I515 HydrophobicContact CG-CG2 3.67Å; L492-Y516 HydrophobicContact CD1-CD1 4.14Å; L492-Y516 HydrophobicContact CD1-CE1 3.87Å; L492-Y516 HydrophobicContact CD2-CD1 4.14Å; L492-Y516 HydrophobicContact CD2-CD2 4.48Å; L492-Y516 HydrophobicContact CD2-CE1 3.93Å; L492-Y516 HydrophobicContact CD2-CE2 4.29Å; L492-Y516 HydrophobicContact CD2-CG 4.39Å; L492-L519 HydrophobicContact CD1-CD1 3.46Å; L492-L519 VanDerWaalsContact CD1-CD1 3.46Å; L492-V941 HydrophobicContact CB-CB 4.45Å; L492-V941 HydrophobicContact CB-CG1 3.55Å; L492-V941 HydrophobicContact CB-CG2 4.01Å; L492-V941 HydrophobicContact CD1-CG1 3.51Å; L492-V941 HydrophobicContact CG-CG1 4.15Å
493	T	95.1	Very high	94.3	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-43.4	177.9	61.3	0	0	0	0	112.2	W489 Q490 A491 L495 E496 E497 F937 S938 V941	W489-T493 WeakPolarHBondContact O-CG2 3.45Å; W489-T493 PolarHBondContact O-N 3.08Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.4Å; Q490-T493 PolarHBondContact O-N 2.88Å; Q490-T493 PolarHBondContact O-OG1 2.96Å; A491-T493 PolarHBondContact O-N 3.43Å; T493-L495 VanDerWaalsContact C-N 3.31Å; T493-L495 PolarHBondContact O-N 3.09Å; T493-E496 PolarHBondContact O-N 3.49Å; T493-E497 WeakPolarHBondContact O-CB 3.29Å; T493-E497 PolarHBondContact O-N 3.44Å; T493-F937 HydrophobicContact CG2-CB 4.5Å; T493-S938 VanDerWaalsContact CG2-CA 3.43Å; T493-S938 WeakPolarHBondContact CG2-OG 3.46Å; T493-V941 HydrophobicContact CG2-CG2 4.29Å
494	L	96.8	Very high	94.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-38.9	177.5	-62.9	-174.7	0	0	0	111.7	M443 C468 A471 V472 L475 Q490 A491 G498	M443-L494 HydrophobicContact CE-CD2 3.58Å; M443-L494 HydrophobicContact CG-CD1 3.91Å; M443-L494 HydrophobicContact CG-CD2 4.08Å; M443-L494 HydrophobicContact SD-CD1 3.69Å; M443-L494 HydrophobicContact SD-CD2 3.79Å; M443-L494 HydrophobicContact SD-CG 4.2Å; C468-L494 PolarHBondContact SG-O 3.48Å; C468-L494 VanDerWaalsContact SG-O 3.34Å; A471-L494 HydrophobicContact CB-CD1 4.3Å; V472-L494 HydrophobicContact CG2-CB 4.1Å; L475-L494 HydrophobicContact CD1-CD1 3.63Å; Q490-L494 HydrophobicContact CG-CD1 4.45Å; Q490-L494 HydrophobicContact CG-CG 4.38Å; Q490-L494 WeakPolarHBondContact O-CG 3.24Å; Q490-L494 PolarHBondContact O-N 3.23Å; A491-L494 PolarHBondContact O-N 2.87Å; L494-G498 PolarHBondContact O-N 3.32Å
495	L	98.3	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.1	-40.2	177.1	-71.4	173.8	0	0	0	112.9	L469 V472 A491 L492 T493 G498 L499 F508 L511 L512 I515	L469-L495 HydrophobicContact CD2-CD2 4.35Å; V472-L495 HydrophobicContact CB-CD2 4.47Å; V472-L495 HydrophobicContact CG1-CD1 4.08Å; V472-L495 HydrophobicContact CG1-CD2 4.26Å; V472-L495 HydrophobicContact CG1-CG 4.21Å; V472-L495 HydrophobicContact CG2-CD1 4.49Å; V472-L495 HydrophobicContact CG2-CD2 3.83Å; V472-L495 HydrophobicContact CG2-CG 3.75Å; A491-L495 VanDerWaalsContact O-CG 3.31Å; A491-L495 WeakPolarHBondContact O-CG 3.41Å; A491-L495 PolarHBondContact O-N 3.41Å; L492-L495 PolarHBondContact O-N 2.91Å; T493-L495 VanDerWaalsContact C-N 3.31Å; T493-L495 PolarHBondContact O-N 3.09Å; L495-G498 PolarHBondContact O-N 3.12Å; L495-L499 VanDerWaalsContact O-CB 3.22Å; L495-L499 WeakPolarHBondContact O-CB 3.36Å; L495-L499 PolarHBondContact O-N 3.28Å; L495-F508 HydrophobicContact CD2-CB 4.4Å; L495-F508 HydrophobicContact CD2-CD1 3.51Å; L495-F508 HydrophobicContact CD2-CE1 4.18Å; L495-F508 HydrophobicContact CD2-CG 4.29Å; L495-L511 HydrophobicContact CD1-CB 3.82Å; L495-L511 HydrophobicContact CD2-CB 4.23Å; L495-L511 HydrophobicContact CD2-CD1 4.19Å; L495-L512 HydrophobicContact CB-CD1 4.28Å; L495-L512 HydrophobicContact CB-CD2 3.46Å; L495-L512 VanDerWaalsContact CB-CD2 3.46Å; L495-L512 HydrophobicContact CB-CG 3.72Å; L495-L512 HydrophobicContact CD1-CD2 3.93Å; L495-L512 HydrophobicContact CD1-CG 4.06Å; L495-L512 HydrophobicContact CG-CD2 4.37Å; L495-L512 HydrophobicContact CG-CG 4.49Å; L495-I515 HydrophobicContact CD1-CD1 3.6Å
496	E	96.9	Very high	95.5	Very high	15 Å²	15	23.2 Å²	23.2	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-39.6	176.6	-72.6	-78.6	177.4	0	0	111.9	L492 T493 T500 L512 Y516 F937 V941 K944	L492-E496 WeakPolarHBondContact O-CG 3.43Å; L492-E496 PolarHBondContact O-N 2.98Å; T493-E496 PolarHBondContact O-N 3.49Å; E496-T500 PolarHBondContact O-N 3.2Å; E496-T500 PolarHBondContact O-OG1 3.19Å; E496-L512 HydrophobicContact CG-CD2 4.1Å; E496-Y516 PolarHBondContact OE1-OH 3Å; E496-F937 HydrophobicContact CB-CD1 3.96Å; E496-F937 HydrophobicContact CB-CE1 4.47Å; E496-V941 HydrophobicContact CB-CG2 4.43Å; E496-V941 HydrophobicContact CG-CG2 3.74Å; E496-K944 IonicContact OE1-NZ 3.27Å; E496-K944 PolarHBondContact OE1-NZ 3.36Å; E496-K944 IonicContact OE2-NZ 2.62Å; E496-K944 PolarHBondContact OE2-NZ 3.47Å
497	E	94.6	Very high	95.9	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-51.1	170.9	-178.7	-179.9	-158.4	0	0	110.2	Q447 T493 L499 T500 H501 F937	Q447-E497 VanDerWaalsContact NE2-CD 3.35Å; Q447-E497 PolarHBondContact NE2-OE1 3.34Å; Q447-E497 PolarHBondContact NE2-OE2 2.89Å; T493-E497 WeakPolarHBondContact O-CB 3.29Å; T493-E497 PolarHBondContact O-N 3.44Å; E497-L499 VanDerWaalsContact C-N 3.33Å; E497-L499 PolarHBondContact O-N 2.94Å; E497-T500 WeakPolarHBondContact O-CB 3.23Å; E497-T500 PolarHBondContact O-N 3.02Å; E497-H501 PolarHBondContact O-CD2 3.39Å; E497-H501 VanDerWaalsContact O-CD2 3.29Å; E497-H501 PolarHBondContact O-N 3.43Å; E497-F937 HydrophobicContact CB-CD2 3.87Å; E497-F937 HydrophobicContact CB-CE2 3.84Å; E497-F937 HydrophobicContact CB-CG 4.48Å; E497-F937 HydrophobicContact CB-CZ 4.43Å; E497-F937 HydrophobicContact CG-CD2 4.3Å; E497-F937 HydrophobicContact CG-CE2 3.97Å
498	G	95.9	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.1	-46.6	177.7	0	0	0	0	0	113	Y446 L494 L495 T500 H501 S502 F508	Y446-G498 WeakPolarHBondContact OH-CA 3.25Å; L494-G498 PolarHBondContact O-N 3.32Å; L495-G498 PolarHBondContact O-N 3.12Å; G498-T500 VanDerWaalsContact C-N 3.29Å; G498-T500 PolarHBondContact O-N 3.23Å; G498-H501 PolarHBondContact O-N 3.37Å; G498-S502 PolarHBondContact O-N 2.76Å; G498-F508 VanDerWaalsContact C-CE2 3.47Å
499	L	96.8	Very high	96.4	Very high	23 Å²	23	22.2 Å²	22.2	12%	0.12	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-30.3	178.5	-172.7	65.3	0	0	0	112.4	L495 E497 H501 S502 P503 F508 K509 L512 L528	L495-L499 VanDerWaalsContact O-CB 3.22Å; L495-L499 WeakPolarHBondContact O-CB 3.36Å; L495-L499 PolarHBondContact O-N 3.28Å; E497-L499 VanDerWaalsContact C-N 3.33Å; E497-L499 PolarHBondContact O-N 2.94Å; L499-H501 VanDerWaalsContact C-N 3.34Å; L499-S502 CarbonylContact O-C 3.53Å; L499-S502 VanDerWaalsContact O-C 3.3Å; L499-P503 WeakPolarHBondContact O-CA 3.4Å; L499-P503 VanDerWaalsContact O-N 3.1Å; L499-F508 HydrophobicContact CB-CB 4.37Å; L499-F508 HydrophobicContact CB-CD2 4.48Å; L499-F508 HydrophobicContact CD1-CB 4.21Å; L499-K509 HydrophobicContact CD1-CD 4.42Å; L499-K509 HydrophobicContact CD1-CG 3.71Å; L499-K509 HydrophobicContact CD2-CG 4.18Å; L499-L512 HydrophobicContact CD2-CD1 3.74Å; L499-L528 HydrophobicContact CD2-CD2 3.69Å
500	T	94.5	Very high	96.6	Very high	85 Å²	85	21.8 Å²	21.8	52%	0.521	13%	0.126	S	C	.	.	H	α-helix	trans	-67	-38.2	174.8	-60	0	0	0	0	111.4	E496 E497 G498 F937	E496-T500 PolarHBondContact O-N 3.2Å; E496-T500 PolarHBondContact O-OG1 3.19Å; E497-T500 WeakPolarHBondContact O-CB 3.23Å; E497-T500 PolarHBondContact O-N 3.02Å; G498-T500 VanDerWaalsContact C-N 3.29Å; G498-T500 PolarHBondContact O-N 3.23Å; T500-F937 HydrophobicContact CG2-CZ 4.34Å
501	H	94.6	Very high	96.9	Very high	80 Å²	80	19.4 Å²	19.4	37%	0.37	12%	0.115	S	C	.	.	H	α-helix	trans	-79.6	-28.7	176.7	-67.7	-56.8	0	0	0	113.8	Y446 L450 E497 G498 L499	Y446-H501 PolarHBondContact OH-CD2 2.89Å; L450-H501 HydrophobicContact CD2-CB 4.17Å; E497-H501 PolarHBondContact O-CD2 3.39Å; E497-H501 VanDerWaalsContact O-CD2 3.29Å; E497-H501 PolarHBondContact O-N 3.43Å; G498-H501 PolarHBondContact O-N 3.37Å; L499-H501 VanDerWaalsContact C-N 3.34Å
502	S	95.9	Very high	96.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	12%	0.115	C	C	.	.			trans	-135	72	-177.4	-167	0	0	0	0	111.1	D465 G498 L499 S504 N505	D465-S502 WeakPolarHBondContact OD1-CB 3.19Å; D465-S502 WeakPolarHBondContact OD2-CB 3.45Å; D465-S502 PolarHBondContact OD2-OG 2.93Å; G498-S502 PolarHBondContact O-N 2.76Å; L499-S502 CarbonylContact O-C 3.53Å; L499-S502 VanDerWaalsContact O-C 3.3Å; S502-S504 PolarHBondContact O-N 3.26Å; S502-S504 VanDerWaalsContact O-N 3.11Å; S502-N505 WeakPolarHBondContact O-CB 3.3Å; S502-N505 PolarHBondContact O-N 2.85Å
503	P	95.9	Very high	97	Very high	50 Å²	50	19.5 Å²	19.5	33%	0.325	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15	-169.5	27.2	-36.2	0	0	0	114.5	K458 L499 K509	K458-P503 HydrophobicContact CB-CG 4.32Å; L499-P503 WeakPolarHBondContact O-CA 3.4Å; L499-P503 VanDerWaalsContact O-N 3.1Å; P503-K509 WeakPolarHBondContact O-CE 3.3Å; P503-K509 PolarHBondContact O-NZ 3.34Å
504	S	96	Very high	97.1	Very high	55 Å²	55	19.8 Å²	19.8	39%	0.385	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.6	176	-74.3	0	0	0	0	113.7	K458 S502 A506	K458-S504 PolarHBondContact O-OG 3.23Å; S502-S504 PolarHBondContact O-N 3.26Å; S502-S504 VanDerWaalsContact O-N 3.11Å; S504-A506 PolarHBondContact O-N 2.89Å; S504-A506 VanDerWaalsContact O-N 3.1Å
505	N	97.9	Very high	97.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	12%	0.116	C	C	.	.			trans	-72	105.8	-179.9	-163.2	-42.4	0	0	0	111.9	L461 D465 S502 Q507 F508 K509	L461-N505 HydrophobicContact CD2-CB 3.77Å; D465-N505 WeakPolarHBondContact CB-ND2 3.3Å; D465-N505 PolarHBondContact OD2-ND2 2.88Å; S502-N505 WeakPolarHBondContact O-CB 3.3Å; S502-N505 PolarHBondContact O-N 2.85Å; N505-Q507 VanDerWaalsContact C-N 3.32Å; N505-Q507 PolarHBondContact O-N 3.06Å; N505-Q507 WeakPolarHBondContact OD1-CB 3.46Å; N505-Q507 PolarHBondContact OD1-N 3.25Å; N505-F508 HydrophobicContact CB-CB 4.34Å; N505-F508 HydrophobicContact CB-CD2 3.54Å; N505-F508 HydrophobicContact CB-CE2 4.08Å; N505-F508 HydrophobicContact CB-CG 4.08Å; N505-F508 PolarHBondContact O-N 3.38Å; N505-F508 PolarHBondContact OD1-N 3.49Å; N505-K509 PolarHBondContact O-N 3.38Å
506	A	97.9	Very high	97.2	Very high	43 Å²	43	19.7 Å²	19.7	36%	0.355	12%	0.116	S	C	.	.	H	α-helix	trans	-65.6	-32.5	180	0	0	0	0	0	113	S504 K509 L510 L532	S504-A506 PolarHBondContact O-N 2.89Å; S504-A506 VanDerWaalsContact O-N 3.1Å; A506-K509 PolarHBondContact O-N 2.85Å; A506-L510 WeakPolarHBondContact O-CB 3.46Å; A506-L510 VanDerWaalsContact O-CG 3.23Å; A506-L510 WeakPolarHBondContact O-CG 3.21Å; A506-L510 PolarHBondContact O-N 3.17Å; A506-L532 HydrophobicContact CB-CD2 3.76Å
507	Q	98.4	Very high	97.3	Very high	17 Å²	17	19.2 Å²	19.2	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-67.6	-39.4	-179.3	-63.2	-62.1	-39.9	0	0	111.3	L469 N505 L510 L511 V660 F662	L469-Q507 HydrophobicContact CD1-CB 3.7Å; L469-Q507 HydrophobicContact CD1-CG 4.24Å; L469-Q507 HydrophobicContact CD2-CB 4.07Å; N505-Q507 VanDerWaalsContact C-N 3.32Å; N505-Q507 PolarHBondContact O-N 3.06Å; N505-Q507 WeakPolarHBondContact OD1-CB 3.46Å; N505-Q507 PolarHBondContact OD1-N 3.25Å; Q507-L510 PolarHBondContact O-N 3.41Å; Q507-L511 WeakPolarHBondContact O-CB 3.23Å; Q507-L511 WeakPolarHBondContact O-CG 2.87Å; Q507-L511 PolarHBondContact O-N 2.89Å; Q507-V660 PolarHBondContact NE2-O 3.46Å; Q507-F662 HydrophobicContact CG-CD2 3.75Å; Q507-F662 HydrophobicContact CG-CE2 3.95Å; Q507-F662 HydrophobicContact CG-CG 4.07Å; Q507-F662 HydrophobicContact CG-CZ 4.44Å
508	F	98.6	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-47.7	172.6	-67.4	-26.9	0	0	0	111.7	D465 C468 L469 L495 G498 L499 N505 L510 L511 L512	D465-F508 HydrophobicContact CB-CE2 4.2Å; D465-F508 HydrophobicContact CB-CZ 3.89Å; C468-F508 HydrophobicContact CB-CE1 4.04Å; C468-F508 HydrophobicContact CB-CZ 3.96Å; L469-F508 HydrophobicContact CD2-CD1 3.37Å; L469-F508 HydrophobicContact CD2-CE1 3.46Å; L469-F508 VanDerWaalsContact CD2-CE1 3.46Å; L469-F508 HydrophobicContact CG-CD1 4.04Å; L469-F508 HydrophobicContact CG-CE1 3.62Å; L495-F508 HydrophobicContact CD2-CB 4.4Å; L495-F508 HydrophobicContact CD2-CD1 3.51Å; L495-F508 HydrophobicContact CD2-CE1 4.18Å; L495-F508 HydrophobicContact CD2-CG 4.29Å; G498-F508 VanDerWaalsContact C-CE2 3.47Å; L499-F508 HydrophobicContact CB-CB 4.37Å; L499-F508 HydrophobicContact CB-CD2 4.48Å; L499-F508 HydrophobicContact CD1-CB 4.21Å; N505-F508 HydrophobicContact CB-CB 4.34Å; N505-F508 HydrophobicContact CB-CD2 3.54Å; N505-F508 HydrophobicContact CB-CE2 4.08Å; N505-F508 HydrophobicContact CB-CG 4.08Å; N505-F508 PolarHBondContact O-N 3.38Å; N505-F508 PolarHBondContact OD1-N 3.49Å; F508-L510 PolarHBondContact O-N 2.77Å; F508-L511 PolarHBondContact O-N 2.9Å; F508-L512 WeakPolarHBondContact O-CB 3.45Å; F508-L512 VanDerWaalsContact O-CG 3.28Å; F508-L512 WeakPolarHBondContact O-CG 3.29Å; F508-L512 PolarHBondContact O-N 2.6Å
509	K	98.6	Very high	97.4	Very high	14 Å²	14	21.7 Å²	21.7	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-46.5	178.2	-64.1	179.5	-171.9	179.4	0	111.7	L499 P503 N505 A506 L512 V513 L528 S531 L532	L499-K509 HydrophobicContact CD1-CD 4.42Å; L499-K509 HydrophobicContact CD1-CG 3.71Å; L499-K509 HydrophobicContact CD2-CG 4.18Å; P503-K509 WeakPolarHBondContact O-CE 3.3Å; P503-K509 PolarHBondContact O-NZ 3.34Å; N505-K509 PolarHBondContact O-N 3.38Å; A506-K509 PolarHBondContact O-N 2.85Å; K509-L512 PolarHBondContact O-N 3.05Å; K509-V513 WeakPolarHBondContact O-CB 3.48Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.47Å; K509-V513 PolarHBondContact O-N 3.35Å; K509-L528 HydrophobicContact CG-CD2 4.29Å; K509-S531 WeakPolarHBondContact CE-OG 3.36Å; K509-S531 PolarHBondContact NZ-O 3.45Å; K509-S531 PolarHBondContact NZ-OG 3.1Å; K509-L532 HydrophobicContact CB-CD1 4.2Å; K509-L532 HydrophobicContact CB-CD2 3.87Å; K509-L532 HydrophobicContact CB-CG 3.93Å; K509-L532 HydrophobicContact CD-CD2 3.73Å; K509-L532 HydrophobicContact CD-CG 3.82Å; K509-L532 HydrophobicContact CG-CD2 4.4Å
510	L	98.5	Very high	97.4	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-42	179.8	-71.3	169.2	0	0	0	112	A506 Q507 F508 V513 R514 L532 I542 L545 V660 F661	A506-L510 WeakPolarHBondContact O-CB 3.46Å; A506-L510 VanDerWaalsContact O-CG 3.23Å; A506-L510 WeakPolarHBondContact O-CG 3.21Å; A506-L510 PolarHBondContact O-N 3.17Å; Q507-L510 PolarHBondContact O-N 3.41Å; F508-L510 PolarHBondContact O-N 2.77Å; L510-V513 WeakPolarHBondContact O-CB 3.45Å; L510-V513 PolarHBondContact O-N 2.7Å; L510-R514 WeakPolarHBondContact O-CB 3.35Å; L510-R514 PolarHBondContact O-N 3.45Å; L510-L532 HydrophobicContact CD2-CD1 3.77Å; L510-L532 HydrophobicContact CG-CD1 4.14Å; L510-I542 HydrophobicContact CD2-CG2 4.08Å; L510-L545 HydrophobicContact CD2-CD1 3.84Å; L510-V660 HydrophobicContact CD1-CG1 4.27Å; L510-V660 HydrophobicContact CD1-CG2 3.67Å; L510-F661 HydrophobicContact CB-CD1 4.15Å; L510-F661 HydrophobicContact CB-CE1 3.58Å; L510-F661 HydrophobicContact CB-CZ 4.13Å; L510-F661 WeakPolarHBondContact O-CE1 3.41Å
511	L	98.6	Very high	97.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-68.2	-40.5	176.3	-74.7	178.7	0	0	0	112.3	L469 V472 L495 Q507 F508 V513 R514 I515 F661 F753 L754	L469-L511 HydrophobicContact CD2-CD1 3.48Å; L469-L511 VanDerWaalsContact CD2-CD1 3.48Å; V472-L511 HydrophobicContact CG1-CD1 4.2Å; L495-L511 HydrophobicContact CD1-CB 3.82Å; L495-L511 HydrophobicContact CD2-CB 4.23Å; L495-L511 HydrophobicContact CD2-CD1 4.19Å; Q507-L511 WeakPolarHBondContact O-CB 3.23Å; Q507-L511 WeakPolarHBondContact O-CG 2.87Å; Q507-L511 PolarHBondContact O-N 2.89Å; F508-L511 PolarHBondContact O-N 2.9Å; L511-V513 VanDerWaalsContact C-N 3.34Å; L511-R514 PolarHBondContact O-N 3.19Å; L511-I515 VanDerWaalsContact O-CG1 3.3Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.35Å; L511-F661 HydrophobicContact CD2-CD1 3.9Å; L511-F661 HydrophobicContact CD2-CE1 4.17Å; L511-F661 HydrophobicContact CG-CD1 4.4Å; L511-F753 HydrophobicContact CD2-CE1 3.88Å; L511-F753 HydrophobicContact CD2-CZ 4.42Å; L511-L754 HydrophobicContact CD2-CD2 3.52Å
512	L	98.7	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.4	-46.5	172.5	-75.4	169.5	0	0	0	110.8	L492 L495 E496 L499 F508 K509 R514 I515 Y516 L528	L492-L512 HydrophobicContact CD2-CD2 3.66Å; L495-L512 HydrophobicContact CB-CD1 4.28Å; L495-L512 HydrophobicContact CB-CD2 3.46Å; L495-L512 VanDerWaalsContact CB-CD2 3.46Å; L495-L512 HydrophobicContact CB-CG 3.72Å; L495-L512 HydrophobicContact CD1-CD2 3.93Å; L495-L512 HydrophobicContact CD1-CG 4.06Å; L495-L512 HydrophobicContact CG-CD2 4.37Å; L495-L512 HydrophobicContact CG-CG 4.49Å; E496-L512 HydrophobicContact CG-CD2 4.1Å; L499-L512 HydrophobicContact CD2-CD1 3.74Å; F508-L512 WeakPolarHBondContact O-CB 3.45Å; F508-L512 VanDerWaalsContact O-CG 3.28Å; F508-L512 WeakPolarHBondContact O-CG 3.29Å; F508-L512 PolarHBondContact O-N 2.6Å; K509-L512 PolarHBondContact O-N 3.05Å; L512-R514 VanDerWaalsContact C-N 3.27Å; L512-R514 PolarHBondContact O-N 3.15Å; L512-I515 PolarHBondContact O-N 3.3Å; L512-Y516 HydrophobicContact CB-CD2 4.14Å; L512-Y516 HydrophobicContact CB-CE2 4.11Å; L512-Y516 HydrophobicContact CD2-CE2 3.87Å; L512-Y516 VanDerWaalsContact O-CB 3.28Å; L512-Y516 WeakPolarHBondContact O-CB 3.41Å; L512-Y516 WeakPolarHBondContact O-CD2 3.24Å; L512-Y516 PolarHBondContact O-N 3.17Å; L512-L528 HydrophobicContact CB-CD1 3.49Å; L512-L528 VanDerWaalsContact CB-CD1 3.49Å; L512-L528 HydrophobicContact CB-CD2 4.49Å; L512-L528 HydrophobicContact CD1-CD1 4.25Å; L512-L528 HydrophobicContact CD1-CD2 3.92Å; L512-L528 HydrophobicContact CG-CD1 4.47Å
513	V	98.6	Very high	97.7	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-52.7	-49.1	174.1	161.7	0	0	0	0	110.4	K509 L510 L511 C517 V525 L528 L545	K509-V513 WeakPolarHBondContact O-CB 3.48Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.47Å; K509-V513 PolarHBondContact O-N 3.35Å; L510-V513 WeakPolarHBondContact O-CB 3.45Å; L510-V513 PolarHBondContact O-N 2.7Å; L511-V513 VanDerWaalsContact C-N 3.34Å; V513-C517 WeakPolarHBondContact O-CB 3.32Å; V513-C517 PolarHBondContact O-N 2.84Å; V513-C517 VanDerWaalsContact O-N 3.07Å; V513-C517 PolarHBondContact O-SG 3.11Å; V513-V525 HydrophobicContact CB-CG1 4.3Å; V513-V525 HydrophobicContact CG1-CG1 3.77Å; V513-V525 HydrophobicContact CG2-CG1 4.06Å; V513-L528 HydrophobicContact CG2-CB 3.83Å; V513-L528 HydrophobicContact CG2-CD1 4.36Å; V513-L545 HydrophobicContact CG1-CB 4.18Å; V513-L545 HydrophobicContact CG1-CD1 4.49Å
514	R	98.1	Very high	97.8	Very high	9 Å²	9	14 Å²	14	3%	0.034	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-46.4	-176.8	-165.7	155.6	-177.5	120.7	4	112.9	L510 L511 L512 M518 F661 F753 G755	L510-R514 WeakPolarHBondContact O-CB 3.35Å; L510-R514 PolarHBondContact O-N 3.45Å; L511-R514 PolarHBondContact O-N 3.19Å; L512-R514 VanDerWaalsContact C-N 3.27Å; L512-R514 PolarHBondContact O-N 3.15Å; R514-M518 WeakPolarHBondContact O-CG 3.21Å; R514-M518 PolarHBondContact O-N 3.2Å; R514-F661 HydrophobicContact CB-CE1 4.35Å; R514-F661 HydrophobicContact CB-CZ 4.33Å; R514-F753 HydrophobicContact CG-CE2 4.39Å; R514-F753 HydrophobicContact CG-CZ 4.39Å; R514-F753 PolarHBondContact NE-O 3.24Å; R514-F753 PolarHBondContact NH2-O 3.36Å; R514-G755 PolarHBondContact NH1-O 2.96Å; R514-G755 PolarHBondContact NH2-O 3.18Å
515	I	98.4	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.6	-44.1	-178.7	-62.6	166.1	0	0	0	110.7	V472 I476 V488 L492 L495 L511 L512 C517 M518 L519 F753	V472-I515 HydrophobicContact CG1-CD1 4.44Å; I476-I515 HydrophobicContact CD1-CD1 3.89Å; I476-I515 HydrophobicContact CD1-CG1 4.15Å; I476-I515 HydrophobicContact CG1-CD1 4.39Å; V488-I515 HydrophobicContact CG2-CG2 3.46Å; V488-I515 VanDerWaalsContact CG2-CG2 3.46Å; L492-I515 HydrophobicContact CD1-CG2 4.02Å; L492-I515 HydrophobicContact CD2-CB 3.85Å; L492-I515 HydrophobicContact CD2-CG2 3.56Å; L492-I515 HydrophobicContact CG-CB 4.49Å; L492-I515 HydrophobicContact CG-CG2 3.67Å; L495-I515 HydrophobicContact CD1-CD1 3.6Å; L511-I515 VanDerWaalsContact O-CG1 3.3Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.35Å; L512-I515 PolarHBondContact O-N 3.3Å; I515-C517 VanDerWaalsContact C-N 3.35Å; I515-C517 PolarHBondContact O-N 3.02Å; I515-M518 PolarHBondContact O-N 2.91Å; I515-L519 HydrophobicContact CG2-CD1 4.31Å; I515-L519 HydrophobicContact CG2-CG 4.41Å; I515-L519 WeakPolarHBondContact O-CG 3.44Å; I515-L519 PolarHBondContact O-N 3.15Å; I515-F753 HydrophobicContact CD1-CZ 4.43Å; I515-F753 HydrophobicContact CG1-CE2 4.37Å; I515-F753 HydrophobicContact CG1-CZ 3.81Å
516	Y	98.6	Very high	97.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-46	176	-77.8	-50.9	0	0	0	111.5	L492 E496 L512 M518 L519 G520 A521 P524 L528 V941 V945	L492-Y516 HydrophobicContact CD1-CD1 4.14Å; L492-Y516 HydrophobicContact CD1-CE1 3.87Å; L492-Y516 HydrophobicContact CD2-CD1 4.14Å; L492-Y516 HydrophobicContact CD2-CD2 4.48Å; L492-Y516 HydrophobicContact CD2-CE1 3.93Å; L492-Y516 HydrophobicContact CD2-CE2 4.29Å; L492-Y516 HydrophobicContact CD2-CG 4.39Å; E496-Y516 PolarHBondContact OE1-OH 3Å; L512-Y516 HydrophobicContact CB-CD2 4.14Å; L512-Y516 HydrophobicContact CB-CE2 4.11Å; L512-Y516 HydrophobicContact CD2-CE2 3.87Å; L512-Y516 VanDerWaalsContact O-CB 3.28Å; L512-Y516 WeakPolarHBondContact O-CB 3.41Å; L512-Y516 WeakPolarHBondContact O-CD2 3.24Å; L512-Y516 PolarHBondContact O-N 3.17Å; Y516-M518 PolarHBondContact O-N 3.27Å; Y516-L519 CarbonylContact O-C 3.3Å; Y516-L519 PolarHBondContact O-N 3.24Å; Y516-L519 VanDerWaalsContact O-N 3.15Å; Y516-G520 PolarHBondContact O-N 3.46Å; Y516-G520 VanDerWaalsContact O-N 3.11Å; Y516-A521 CarbonylContact C-O 3.55Å; Y516-A521 WeakPolarHBondContact CB-O 3.3Å; Y516-A521 HydrophobicContact CD1-CB 4.29Å; Y516-A521 PolarHBondContact O-N 2.77Å; Y516-P524 HydrophobicContact CD1-CG 4.06Å; Y516-P524 HydrophobicContact CD2-CB 4.09Å; Y516-P524 HydrophobicContact CD2-CG 3.91Å; Y516-P524 HydrophobicContact CE1-CG 4.3Å; Y516-P524 HydrophobicContact CE2-CB 4.03Å; Y516-P524 HydrophobicContact CE2-CG 4.17Å; Y516-P524 HydrophobicContact CG-CG 3.87Å; Y516-L528 HydrophobicContact CD2-CD1 3.87Å; Y516-L528 HydrophobicContact CE2-CD1 3.94Å; Y516-V941 HydrophobicContact CE1-CG1 4.39Å; Y516-V945 HydrophobicContact CD1-CG2 4.14Å; Y516-V945 HydrophobicContact CE1-CG2 4.12Å
517	C	98.1	Very high	97.5	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-44.3	174.4	-76.3	0	0	0	0	112.5	V513 I515 L519 G520 A521 Y549	V513-C517 WeakPolarHBondContact O-CB 3.32Å; V513-C517 PolarHBondContact O-N 2.84Å; V513-C517 VanDerWaalsContact O-N 3.07Å; V513-C517 PolarHBondContact O-SG 3.11Å; I515-C517 VanDerWaalsContact C-N 3.35Å; I515-C517 PolarHBondContact O-N 3.02Å; C517-L519 VanDerWaalsContact C-N 3.28Å; C517-L519 PolarHBondContact O-N 3.03Å; C517-G520 PolarHBondContact O-N 3.07Å; C517-A521 PolarHBondContact N-O 3.04Å; C517-Y549 HydrophobicContact CB-CD1 3.73Å; C517-Y549 HydrophobicContact CB-CD2 3.72Å; C517-Y549 HydrophobicContact CB-CE1 3.76Å; C517-Y549 HydrophobicContact CB-CE2 3.74Å; C517-Y549 HydrophobicContact CB-CG 3.68Å; C517-Y549 VanDerWaalsContact SG-CD2 3.58Å; C517-Y549 VanDerWaalsContact SG-CG 3.59Å
518	M	96.8	Very high	97.5	Very high	60 Å²	60	16.2 Å²	16.2	30%	0.296	8%	0.084	S	C	.	.	H	α-helix	trans	-65.5	-30.4	177.7	-72.8	-175.3	79.1	0	0	113	W479 R514 I515 Y516 G520 F753	W479-M518 HydrophobicContact CH2-CB 4.3Å; W479-M518 HydrophobicContact CH2-CE 3.72Å; W479-M518 HydrophobicContact CH2-SD 4.38Å; W479-M518 HydrophobicContact CZ3-CE 3.87Å; W479-M518 HydrophobicContact CZ3-SD 4.31Å; R514-M518 WeakPolarHBondContact O-CG 3.21Å; R514-M518 PolarHBondContact O-N 3.2Å; I515-M518 PolarHBondContact O-N 2.91Å; Y516-M518 PolarHBondContact O-N 3.27Å; M518-G520 VanDerWaalsContact C-N 3.28Å; M518-F753 HydrophobicContact CE-CD2 4.5Å; M518-F753 HydrophobicContact SD-CD2 3.85Å; M518-F753 HydrophobicContact SD-CE2 3.55Å; M518-F753 VanDerWaalsContact SD-CE2 3.55Å
519	L	96.8	Very high	97.3	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.1	172.8	-67.4	-175.8	0	0	0	113.6	V488 W489 L492 I515 Y516 C517 T833 Y949	V488-L519 HydrophobicContact CG1-CD2 4.07Å; V488-L519 HydrophobicContact CG2-CD1 4.21Å; V488-L519 HydrophobicContact CG2-CD2 4.16Å; V488-L519 HydrophobicContact CG2-CG 4.34Å; W489-L519 HydrophobicContact CH2-CD1 4.3Å; W489-L519 HydrophobicContact CZ3-CD1 4.22Å; L492-L519 HydrophobicContact CD1-CD1 3.46Å; L492-L519 VanDerWaalsContact CD1-CD1 3.46Å; I515-L519 HydrophobicContact CG2-CD1 4.31Å; I515-L519 HydrophobicContact CG2-CG 4.41Å; I515-L519 WeakPolarHBondContact O-CG 3.44Å; I515-L519 PolarHBondContact O-N 3.15Å; Y516-L519 CarbonylContact O-C 3.3Å; Y516-L519 PolarHBondContact O-N 3.24Å; Y516-L519 VanDerWaalsContact O-N 3.15Å; C517-L519 VanDerWaalsContact C-N 3.28Å; C517-L519 PolarHBondContact O-N 3.03Å; L519-T833 PolarHBondContact O-OG1 3.48Å; L519-Y949 VanDerWaalsContact O-CE2 3.28Å; L519-Y949 WeakPolarHBondContact O-CE2 3.31Å; L519-Y949 PolarHBondContact O-OH 3.41Å
520	G	96.9	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	11.6	-179.6	0	0	0	0	0	115.4	Y516 C517 M518	Y516-G520 PolarHBondContact O-N 3.46Å; Y516-G520 VanDerWaalsContact O-N 3.11Å; C517-G520 PolarHBondContact O-N 3.07Å; M518-G520 VanDerWaalsContact C-N 3.28Å
521	A	97.3	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.			trans	-100.6	126.9	175.3	0	0	0	0	0	110.8	Y516 C517 P524 V525 V945 S948	Y516-A521 CarbonylContact C-O 3.55Å; Y516-A521 WeakPolarHBondContact CB-O 3.3Å; Y516-A521 HydrophobicContact CD1-CB 4.29Å; Y516-A521 PolarHBondContact O-N 2.77Å; C517-A521 PolarHBondContact N-O 3.04Å; A521-P524 HydrophobicContact CB-CG 4.45Å; A521-V525 WeakPolarHBondContact O-CG2 3.41Å; A521-V945 HydrophobicContact CB-CB 4.3Å; A521-V945 HydrophobicContact CB-CG1 4.28Å; A521-V945 HydrophobicContact CB-CG2 3.98Å; A521-S948 WeakPolarHBondContact CA-OG 3.47Å
522	F	97.9	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.			trans	-125.6	-21.9	-175.2	-168.5	-94.7	0	0	0	114.2	V525 V526 L546 A550 L553 Q555 A558 S948	F522-V525 HydrophobicContact CD2-CB 4.03Å; F522-V525 HydrophobicContact CD2-CG1 4.01Å; F522-V525 HydrophobicContact CD2-CG2 4.32Å; F522-V525 HydrophobicContact CE2-CB 4.23Å; F522-V525 HydrophobicContact CE2-CG1 3.74Å; F522-V525 HydrophobicContact CG-CB 4.41Å; F522-V525 HydrophobicContact CZ-CG1 4.31Å; F522-V525 VanDerWaalsContact O-CB 3.24Å; F522-V525 WeakPolarHBondContact O-CB 3.31Å; F522-V525 PolarHBondContact O-N 3.04Å; F522-V526 HydrophobicContact CD1-CG2 3.94Å; F522-V526 HydrophobicContact CE1-CG2 3.53Å; F522-V526 HydrophobicContact CZ-CG2 4.28Å; F522-V526 PolarHBondContact O-N 3.24Å; F522-L546 HydrophobicContact CE2-CD2 4.2Å; F522-L546 HydrophobicContact CZ-CB 4.34Å; F522-L546 HydrophobicContact CZ-CD2 3.84Å; F522-A550 HydrophobicContact CD1-CB 4.28Å; F522-A550 HydrophobicContact CE1-CB 3.45Å; F522-A550 VanDerWaalsContact CE1-CB 3.45Å; F522-A550 HydrophobicContact CE2-CB 4.1Å; F522-A550 HydrophobicContact CZ-CB 3.36Å; F522-L553 HydrophobicContact CB-CB 4.32Å; F522-L553 HydrophobicContact CB-CD1 3.89Å; F522-L553 HydrophobicContact CD2-CD1 4.29Å; F522-L553 HydrophobicContact CG-CD1 4.49Å; F522-Q555 HydrophobicContact CB-CG 4.03Å; F522-Q555 HydrophobicContact CD1-CB 3.86Å; F522-Q555 HydrophobicContact CD1-CG 4Å; F522-Q555 HydrophobicContact CG-CG 4.42Å; F522-A558 HydrophobicContact CD1-CB 4.26Å; F522-A558 HydrophobicContact CE1-CB 3.78Å; F522-S948 PolarHBondContact N-OG 3.32Å
523	E	95.6	Very high	96.5	Very high	70 Å²	70	29.4 Å²	29.4	33%	0.327	17%	0.165	S	C	.	.	H	α-helix	trans	-51.9	-52.2	172.7	-174.7	179.6	-164.9	0	0	112.9	V525 V526 S947 S948	E523-V525 PolarHBondContact O-N 3.35Å; E523-V526 PolarHBondContact O-N 2.94Å; E523-S947 PolarHBondContact OE2-OG 3.16Å; E523-S948 PolarHBondContact N-OG 2.9Å; E523-S948 PolarHBondContact OE2-N 2.94Å
524	P	97.4	Very high	96.3	Very high	8 Å²	8	30 Å²	30	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-22.5	177.7	26.9	-36.5	0	0	0	113.7	Y516 A521 D527 L528 K944	Y516-P524 HydrophobicContact CD1-CG 4.06Å; Y516-P524 HydrophobicContact CD2-CB 4.09Å; Y516-P524 HydrophobicContact CD2-CG 3.91Å; Y516-P524 HydrophobicContact CE1-CG 4.3Å; Y516-P524 HydrophobicContact CE2-CB 4.03Å; Y516-P524 HydrophobicContact CE2-CG 4.17Å; Y516-P524 HydrophobicContact CG-CG 3.87Å; A521-P524 HydrophobicContact CB-CG 4.45Å; P524-D527 PolarHBondContact O-N 3.45Å; P524-L528 WeakPolarHBondContact O-CB 3.37Å; P524-L528 WeakPolarHBondContact O-CD1 3.44Å; P524-L528 VanDerWaalsContact O-CG 3.24Å; P524-L528 WeakPolarHBondContact O-CG 3.35Å; P524-L528 PolarHBondContact O-N 3.38Å; P524-L528 VanDerWaalsContact O-N 3.08Å; P524-K944 HydrophobicContact CB-CD 4.2Å; P524-K944 HydrophobicContact CG-CB 4.47Å
525	V	98.1	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-39.6	-179	171.8	0	0	0	0	110.7	V513 A521 F522 E523 D527 L528 Y529 L546	V513-V525 HydrophobicContact CB-CG1 4.3Å; V513-V525 HydrophobicContact CG1-CG1 3.77Å; V513-V525 HydrophobicContact CG2-CG1 4.06Å; A521-V525 WeakPolarHBondContact O-CG2 3.41Å; F522-V525 HydrophobicContact CD2-CB 4.03Å; F522-V525 HydrophobicContact CD2-CG1 4.01Å; F522-V525 HydrophobicContact CD2-CG2 4.32Å; F522-V525 HydrophobicContact CE2-CB 4.23Å; F522-V525 HydrophobicContact CE2-CG1 3.74Å; F522-V525 HydrophobicContact CG-CB 4.41Å; F522-V525 HydrophobicContact CZ-CG1 4.31Å; F522-V525 VanDerWaalsContact O-CB 3.24Å; F522-V525 WeakPolarHBondContact O-CB 3.31Å; F522-V525 PolarHBondContact O-N 3.04Å; E523-V525 PolarHBondContact O-N 3.35Å; V525-D527 PolarHBondContact O-N 2.83Å; V525-L528 PolarHBondContact O-N 3.16Å; V525-Y529 VanDerWaalsContact O-CB 3.3Å; V525-Y529 WeakPolarHBondContact O-CB 3.17Å; V525-Y529 PolarHBondContact O-N 3.25Å; V525-L546 HydrophobicContact CG1-CD2 3.61Å
526	V	93.8	Very high	95.8	Very high	32 Å²	32	41 Å²	41	19%	0.194	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-42.9	179	179.6	0	0	0	0	111.1	F522 E523 S530 A558	F522-V526 HydrophobicContact CD1-CG2 3.94Å; F522-V526 HydrophobicContact CE1-CG2 3.53Å; F522-V526 HydrophobicContact CZ-CG2 4.28Å; F522-V526 PolarHBondContact O-N 3.24Å; E523-V526 PolarHBondContact O-N 2.94Å; V526-S530 VanDerWaalsContact O-CB 3.3Å; V526-S530 WeakPolarHBondContact O-CB 3.44Å; V526-S530 PolarHBondContact O-N 2.72Å; V526-S530 PolarHBondContact O-OG 3.26Å; V526-A558 HydrophobicContact CG2-CB 3.77Å
527	D	94.3	Very high	95.6	Very high	116 Å²	116	44.5 Å²	44.5	62%	0.62	24%	0.238	S	C	*	.	H	α-helix	trans	-67.1	-44	178.4	-73.8	-19.1	0	0	0	111.8	P524 V525 S530 S531	P524-D527 PolarHBondContact O-N 3.45Å; V525-D527 PolarHBondContact O-N 2.83Å; D527-S530 PolarHBondContact O-N 3.11Å; D527-S531 WeakPolarHBondContact O-CB 3.46Å; D527-S531 PolarHBondContact O-N 2.98Å
528	L	97.5	Very high	95.6	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177.2	-72.4	165.8	0	0	0	111.8	L499 K509 L512 V513 Y516 P524 V525 S531 L532	L499-L528 HydrophobicContact CD2-CD2 3.69Å; K509-L528 HydrophobicContact CG-CD2 4.29Å; L512-L528 HydrophobicContact CB-CD1 3.49Å; L512-L528 VanDerWaalsContact CB-CD1 3.49Å; L512-L528 HydrophobicContact CB-CD2 4.49Å; L512-L528 HydrophobicContact CD1-CD1 4.25Å; L512-L528 HydrophobicContact CD1-CD2 3.92Å; L512-L528 HydrophobicContact CG-CD1 4.47Å; V513-L528 HydrophobicContact CG2-CB 3.83Å; V513-L528 HydrophobicContact CG2-CD1 4.36Å; Y516-L528 HydrophobicContact CD2-CD1 3.87Å; Y516-L528 HydrophobicContact CE2-CD1 3.94Å; P524-L528 WeakPolarHBondContact O-CB 3.37Å; P524-L528 WeakPolarHBondContact O-CD1 3.44Å; P524-L528 VanDerWaalsContact O-CG 3.24Å; P524-L528 WeakPolarHBondContact O-CG 3.35Å; P524-L528 PolarHBondContact O-N 3.38Å; P524-L528 VanDerWaalsContact O-N 3.08Å; V525-L528 PolarHBondContact O-N 3.16Å; L528-S531 WeakPolarHBondContact O-CB 3.36Å; L528-S531 PolarHBondContact O-N 2.77Å; L528-L532 PolarHBondContact O-N 2.98Å
529	Y	95.3	Very high	95.6	Very high	16 Å²	16	46.8 Å²	46.8	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-40	177.6	-169.9	-80.8	0	0	0	111.8	V525 S531 L532 A534 I542 G543 L546	V525-Y529 VanDerWaalsContact O-CB 3.3Å; V525-Y529 WeakPolarHBondContact O-CB 3.17Å; V525-Y529 PolarHBondContact O-N 3.25Å; Y529-S531 VanDerWaalsContact C-N 3.26Å; Y529-S531 PolarHBondContact O-N 3.07Å; Y529-L532 WeakPolarHBondContact O-CB 3.36Å; Y529-L532 PolarHBondContact O-N 3.39Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; Y529-A534 HydrophobicContact CD1-CB 4.45Å; Y529-A534 HydrophobicContact CE1-CB 3.61Å; Y529-A534 HydrophobicContact CE2-CB 4.48Å; Y529-A534 WeakPolarHBondContact OH-CB 3.23Å; Y529-I542 HydrophobicContact CE2-CG2 4.06Å; Y529-G543 WeakPolarHBondContact OH-CA 3.48Å; Y529-G543 PolarHBondContact OH-N 3.02Å; Y529-L546 HydrophobicContact CD1-CD1 3.41Å; Y529-L546 VanDerWaalsContact CD1-CD1 3.41Å; Y529-L546 HydrophobicContact CD1-CG 4.09Å; Y529-L546 HydrophobicContact CD2-CD1 3.94Å; Y529-L546 HydrophobicContact CD2-CD2 3.94Å; Y529-L546 HydrophobicContact CD2-CG 3.63Å; Y529-L546 HydrophobicContact CE1-CD1 3.71Å; Y529-L546 HydrophobicContact CE1-CG 4.38Å; Y529-L546 HydrophobicContact CE2-CD1 4.18Å; Y529-L546 HydrophobicContact CE2-CG 3.94Å; Y529-L546 HydrophobicContact CG-CD1 3.54Å; Y529-L546 HydrophobicContact CG-CD2 3.87Å; Y529-L546 HydrophobicContact CG-CG 3.71Å
530	S	94.3	Very high	95.6	Very high	77 Å²	77	46.8 Å²	46.8	54%	0.538	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-36.7	173.6	-59.9	0	0	0	0	111.3	V526 D527 L532 D533	V526-S530 VanDerWaalsContact O-CB 3.3Å; V526-S530 WeakPolarHBondContact O-CB 3.44Å; V526-S530 PolarHBondContact O-N 2.72Å; V526-S530 PolarHBondContact O-OG 3.26Å; D527-S530 PolarHBondContact O-N 3.11Å; S530-L532 VanDerWaalsContact C-N 3.31Å; S530-L532 PolarHBondContact O-N 3.4Å; S530-D533 PolarHBondContact O-N 3.19Å; S530-D533 VanDerWaalsContact O-N 3.09Å
531	S	95.6	Very high	95.6	Very high	70 Å²	70	48.4 Å²	48.4	49%	0.49	26%	0.258	S	S	.	.	H	α-helix	trans	-70	-21.5	175	-170.8	0	0	0	0	114.1	K509 D527 L528 Y529 D533	K509-S531 WeakPolarHBondContact CE-OG 3.36Å; K509-S531 PolarHBondContact NZ-O 3.45Å; K509-S531 PolarHBondContact NZ-OG 3.1Å; D527-S531 WeakPolarHBondContact O-CB 3.46Å; D527-S531 PolarHBondContact O-N 2.98Å; L528-S531 WeakPolarHBondContact O-CB 3.36Å; L528-S531 PolarHBondContact O-N 2.77Å; Y529-S531 VanDerWaalsContact C-N 3.26Å; Y529-S531 PolarHBondContact O-N 3.07Å; S531-D533 PolarHBondContact O-N 2.59Å
532	L	93.9	Very high	95.6	Very high	42 Å²	42	49 Å²	49	22%	0.22	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.1	169.7	-76.8	167.7	0	0	0	112.3	A506 K509 L510 L528 Y529 S530 A534	A506-L532 HydrophobicContact CB-CD2 3.76Å; K509-L532 HydrophobicContact CB-CD1 4.2Å; K509-L532 HydrophobicContact CB-CD2 3.87Å; K509-L532 HydrophobicContact CB-CG 3.93Å; K509-L532 HydrophobicContact CD-CD2 3.73Å; K509-L532 HydrophobicContact CD-CG 3.82Å; K509-L532 HydrophobicContact CG-CD2 4.4Å; L510-L532 HydrophobicContact CD2-CD1 3.77Å; L510-L532 HydrophobicContact CG-CD1 4.14Å; L528-L532 PolarHBondContact O-N 2.98Å; Y529-L532 WeakPolarHBondContact O-CB 3.36Å; Y529-L532 PolarHBondContact O-N 3.39Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; S530-L532 VanDerWaalsContact C-N 3.31Å; S530-L532 PolarHBondContact O-N 3.4Å; L532-A534 VanDerWaalsContact C-N 3.28Å; L532-A534 PolarHBondContact O-N 2.97Å
533	D	94.2	Very high	95.6	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	42.7	-178.4	-163.1	28.9	0	0	0	112.5	S530 S531 K535	S530-D533 PolarHBondContact O-N 3.19Å; S530-D533 VanDerWaalsContact O-N 3.09Å; S531-D533 PolarHBondContact O-N 2.59Å; D533-K535 VanDerWaalsContact CG-NZ 3.27Å; D533-K535 WeakPolarHBondContact O-CG 3.4Å; D533-K535 PolarHBondContact O-N 3.38Å; D533-K535 WeakPolarHBondContact OD1-CE 3.43Å; D533-K535 IonicContact OD1-NZ 2.74Å; D533-K535 PolarHBondContact OD1-NZ 2.84Å; D533-K535 VanDerWaalsContact OD2-CE 3.26Å; D533-K535 WeakPolarHBondContact OD2-CE 3.39Å; D533-K535 IonicContact OD2-NZ 2.6Å; D533-K535 PolarHBondContact OD2-NZ 3.49Å
534	A	93.6	Very high	95.6	Very high	16 Å²	16	46.2 Å²	46.2	13%	0.132	25%	0.249	C	C	.	.			trans	-65.3	122.4	-178.5	0	0	0	0	0	111.5	Y529 L532 Q538 H539	Y529-A534 HydrophobicContact CD1-CB 4.45Å; Y529-A534 HydrophobicContact CE1-CB 3.61Å; Y529-A534 HydrophobicContact CE2-CB 4.48Å; Y529-A534 WeakPolarHBondContact OH-CB 3.23Å; L532-A534 VanDerWaalsContact C-N 3.28Å; L532-A534 PolarHBondContact O-N 2.97Å; A534-Q538 HydrophobicContact CB-CB 4.16Å; A534-H539 PolarHBondContact O-CE1 2.93Å; A534-H539 VanDerWaalsContact O-CE1 3.3Å
535	K	93.1	Very high	95.5	Very high	99 Å²	99	46 Å²	46	43%	0.43	25%	0.247	S	C	.	.			trans	-128.5	152.7	-173.5	-72.3	171.7	-173.5	157.9	0	113.2	D533 I537 Q538	D533-K535 VanDerWaalsContact CG-NZ 3.27Å; D533-K535 WeakPolarHBondContact O-CG 3.4Å; D533-K535 PolarHBondContact O-N 3.38Å; D533-K535 WeakPolarHBondContact OD1-CE 3.43Å; D533-K535 IonicContact OD1-NZ 2.74Å; D533-K535 PolarHBondContact OD1-NZ 2.84Å; D533-K535 VanDerWaalsContact OD2-CE 3.26Å; D533-K535 WeakPolarHBondContact OD2-CE 3.39Å; D533-K535 IonicContact OD2-NZ 2.6Å; D533-K535 PolarHBondContact OD2-NZ 3.49Å; K535-I537 PolarHBondContact O-N 3.4Å; K535-I537 VanDerWaalsContact O-N 3.15Å; K535-Q538 WeakPolarHBondContact O-CB 3.34Å; K535-Q538 PolarHBondContact O-N 3.08Å
536	H	91.9	Very high	95.4	Very high	139 Å²	139	46.5 Å²	46.5	64%	0.644	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	-117.6	169.2	-55.1	-61.6	0	0	0	112	Q538 H539 F569	H536-Q538 PolarHBondContact O-N 3.34Å; H536-H539 WeakPolarHBondContact O-CB 3.47Å; H536-H539 PolarHBondContact O-CD2 3.36Å; H536-H539 VanDerWaalsContact O-CD2 3.31Å; H536-H539 PolarHBondContact O-N 3.06Å; H536-F569 HydrophobicContact CB-CD2 4.4Å; H536-F569 HydrophobicContact CB-CE2 4.39Å; H536-F569 VanDerWaalsContact O-CD2 3.31Å; H536-F569 WeakPolarHBondContact O-CD2 3.32Å; H536-F569 WeakPolarHBondContact O-CE2 3.31Å
537	I	96.1	Very high	95.5	Very high	74 Å²	74	46 Å²	46	38%	0.379	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.4	-178	-171	62.3	0	0	0	113.4	K535 H539 D540 T541 F569 F599 L603	K535-I537 PolarHBondContact O-N 3.4Å; K535-I537 VanDerWaalsContact O-N 3.15Å; I537-H539 PolarHBondContact O-N 3.26Å; I537-D540 HydrophobicContact CD1-CB 4.45Å; I537-D540 WeakPolarHBondContact O-CB 3.44Å; I537-D540 PolarHBondContact O-N 3.15Å; I537-T541 HydrophobicContact CG1-CG2 4.42Å; I537-T541 PolarHBondContact O-N 3.19Å; I537-F569 HydrophobicContact CD1-CZ 4.12Å; I537-F599 HydrophobicContact CD1-CE2 4.4Å; I537-F599 HydrophobicContact CD1-CZ 4.3Å; I537-L603 HydrophobicContact CD1-CD1 4.34Å; I537-L603 HydrophobicContact CD1-CD2 3.82Å
538	Q	97	Very high	95.5	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-21	177.2	-62.1	176.7	-59.3	0	0	112.8	A534 K535 H536 D540 T541 I542 G543	A534-Q538 HydrophobicContact CB-CB 4.16Å; K535-Q538 WeakPolarHBondContact O-CB 3.34Å; K535-Q538 PolarHBondContact O-N 3.08Å; H536-Q538 PolarHBondContact O-N 3.34Å; Q538-D540 PolarHBondContact O-N 3.16Å; Q538-T541 PolarHBondContact O-N 3.33Å; Q538-I542 WeakPolarHBondContact O-CA 3.13Å; Q538-I542 PolarHBondContact O-N 3.25Å; Q538-G543 PolarHBondContact O-N 3.45Å; Q538-G543 VanDerWaalsContact O-N 3.07Å
539	H	96.4	Very high	95.5	Very high	31 Å²	31	42.7 Å²	42.7	14%	0.144	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-27.3	171.1	-64.9	-54.9	0	0	0	112.4	A534 H536 I537 G543 F569 H608	A534-H539 PolarHBondContact O-CE1 2.93Å; A534-H539 VanDerWaalsContact O-CE1 3.3Å; H536-H539 WeakPolarHBondContact O-CB 3.47Å; H536-H539 PolarHBondContact O-CD2 3.36Å; H536-H539 VanDerWaalsContact O-CD2 3.31Å; H536-H539 PolarHBondContact O-N 3.06Å; I537-H539 PolarHBondContact O-N 3.26Å; H539-G543 WeakPolarHBondContact O-CA 3.5Å; H539-F569 HydrophobicContact CB-CB 4.3Å; H539-F569 HydrophobicContact CB-CD1 4.11Å; H539-F569 HydrophobicContact CB-CG 4.26Å; H539-H608 PolarHBondContact O-CD2 3.1Å; H539-H608 PolarHBondContact O-NE2 3.43Å
540	D	97.6	Very high	95.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	22%	0.222	C	C	.	.	H	α-helix	trans	-82.8	-38.7	173.7	-165.5	38.2	0	0	0	111.9	I537 Q538 F569 F570 L603 S606 N655	I537-D540 HydrophobicContact CD1-CB 4.45Å; I537-D540 WeakPolarHBondContact O-CB 3.44Å; I537-D540 PolarHBondContact O-N 3.15Å; Q538-D540 PolarHBondContact O-N 3.16Å; D540-F569 HydrophobicContact CB-CE1 4.01Å; D540-F570 HydrophobicContact CB-CE1 4.16Å; D540-F570 HydrophobicContact CB-CZ 3.99Å; D540-F570 WeakPolarHBondContact OD1-CZ 3.44Å; D540-L603 HydrophobicContact CB-CD2 4.39Å; D540-L603 WeakPolarHBondContact OD2-CD2 3.27Å; D540-S606 WeakPolarHBondContact OD1-CB 3.41Å; D540-S606 PolarHBondContact OD1-OG 2.87Å; D540-N655 WeakPolarHBondContact OD2-CB 3.27Å; D540-N655 PolarHBondContact OD2-ND2 3.23Å
541	T	97.7	Very high	95.3	Very high	33 Å²	33	38.6 Å²	38.6	20%	0.202	20%	0.198	C	C	.	.	H	α-helix	trans	-90.3	-32.3	-171.4	65	0	0	0	0	114.3	I537 Q538 Y544 N655 D657	I537-T541 HydrophobicContact CG1-CG2 4.42Å; I537-T541 PolarHBondContact O-N 3.19Å; Q538-T541 PolarHBondContact O-N 3.33Å; T541-Y544 VanDerWaalsContact O-CD1 3.29Å; T541-Y544 WeakPolarHBondContact O-CD1 3.35Å; T541-Y544 WeakPolarHBondContact O-CE1 3.12Å; T541-N655 WeakPolarHBondContact CG2-O 3.47Å; T541-D657 PolarHBondContact O-N 3.29Å
542	I	97.2	Very high	95.3	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.072	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-22.2	-176.5	-52.5	-64.5	0	0	0	112.3	L510 Y529 Q538 Y544 L545 D657 V660	L510-I542 HydrophobicContact CD2-CG2 4.08Å; Y529-I542 HydrophobicContact CE2-CG2 4.06Å; Q538-I542 WeakPolarHBondContact O-CA 3.13Å; Q538-I542 PolarHBondContact O-N 3.25Å; I542-Y544 PolarHBondContact O-N 3.29Å; I542-L545 HydrophobicContact CG2-CD1 3.83Å; I542-L545 WeakPolarHBondContact O-CB 2.98Å; I542-L545 PolarHBondContact O-N 3.49Å; I542-D657 HydrophobicContact CD1-CB 3.85Å; I542-V660 HydrophobicContact CD1-CB 3.73Å; I542-V660 HydrophobicContact CD1-CG1 3.78Å; I542-V660 HydrophobicContact CD1-CG2 3.64Å
543	G	96.4	Very high	95.5	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.5	-179.2	0	0	0	0	0	115.2	Y529 Q538 H539 L545 L546 T547	Y529-G543 WeakPolarHBondContact OH-CA 3.48Å; Y529-G543 PolarHBondContact OH-N 3.02Å; Q538-G543 PolarHBondContact O-N 3.45Å; Q538-G543 VanDerWaalsContact O-N 3.07Å; H539-G543 WeakPolarHBondContact O-CA 3.5Å; G543-L545 PolarHBondContact O-N 3.09Å; G543-L546 PolarHBondContact O-N 3.28Å; G543-L546 VanDerWaalsContact O-N 3.15Å; G543-T547 PolarHBondContact O-N 3.35Å; G543-T547 PolarHBondContact O-OG1 3.22Å
544	Y	96.7	Very high	95.6	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-29.6	172.2	80.7	-88.6	0	0	0	112.6	T541 I542 L546 T547 R548 R656 D657	T541-Y544 VanDerWaalsContact O-CD1 3.29Å; T541-Y544 WeakPolarHBondContact O-CD1 3.35Å; T541-Y544 WeakPolarHBondContact O-CE1 3.12Å; I542-Y544 PolarHBondContact O-N 3.29Å; Y544-L546 PolarHBondContact O-N 3.12Å; Y544-T547 WeakPolarHBondContact CA-OG1 3.4Å; Y544-T547 PolarHBondContact O-OG1 2.96Å; Y544-R548 WeakPolarHBondContact O-CB 3.47Å; Y544-R548 PolarHBondContact O-N 3.24Å; Y544-R656 HydrophobicContact CD1-CB 3.83Å; Y544-R656 HydrophobicContact CD1-CG 3.76Å; Y544-R656 HydrophobicContact CE1-CB 3.94Å; Y544-R656 HydrophobicContact CE1-CG 4.37Å; Y544-R656 HydrophobicContact CG-CB 4.32Å; Y544-R656 HydrophobicContact CG-CG 3.86Å; Y544-D657 PolarHBondContact OH-O 2.77Å
545	L	95.6	Very high	95.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-26.4	178.5	-65.2	174.8	0	0	0	113	L510 V513 I542 G543 Y549 F661	L510-L545 HydrophobicContact CD2-CD1 3.84Å; V513-L545 HydrophobicContact CG1-CB 4.18Å; V513-L545 HydrophobicContact CG1-CD1 4.49Å; I542-L545 HydrophobicContact CG2-CD1 3.83Å; I542-L545 WeakPolarHBondContact O-CB 2.98Å; I542-L545 PolarHBondContact O-N 3.49Å; G543-L545 PolarHBondContact O-N 3.09Å; L545-Y549 WeakPolarHBondContact O-CD2 3.47Å; L545-F661 HydrophobicContact CD1-CZ 4.23Å; L545-F661 HydrophobicContact CD2-CZ 4.44Å
546	L	95.7	Very high	96	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-85.9	-55.4	173.5	-69.1	-171.9	0	0	0	111.2	F522 V525 Y529 G543 Y544 R548 Y549 A550	F522-L546 HydrophobicContact CE2-CD2 4.2Å; F522-L546 HydrophobicContact CZ-CB 4.34Å; F522-L546 HydrophobicContact CZ-CD2 3.84Å; V525-L546 HydrophobicContact CG1-CD2 3.61Å; Y529-L546 HydrophobicContact CD1-CD1 3.41Å; Y529-L546 VanDerWaalsContact CD1-CD1 3.41Å; Y529-L546 HydrophobicContact CD1-CG 4.09Å; Y529-L546 HydrophobicContact CD2-CD1 3.94Å; Y529-L546 HydrophobicContact CD2-CD2 3.94Å; Y529-L546 HydrophobicContact CD2-CG 3.63Å; Y529-L546 HydrophobicContact CE1-CD1 3.71Å; Y529-L546 HydrophobicContact CE1-CG 4.38Å; Y529-L546 HydrophobicContact CE2-CD1 4.18Å; Y529-L546 HydrophobicContact CE2-CG 3.94Å; Y529-L546 HydrophobicContact CG-CD1 3.54Å; Y529-L546 HydrophobicContact CG-CD2 3.87Å; Y529-L546 HydrophobicContact CG-CG 3.71Å; G543-L546 PolarHBondContact O-N 3.28Å; G543-L546 VanDerWaalsContact O-N 3.15Å; Y544-L546 PolarHBondContact O-N 3.12Å; L546-R548 PolarHBondContact O-N 3.47Å; L546-Y549 PolarHBondContact O-N 2.91Å; L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 3.34Å
547	T	94.8	Very high	96.2	Very high	20 Å²	20	20.5 Å²	20.5	12%	0.123	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-18.7	-171.5	51.4	0	0	0	0	113.9	G543 Y544 H608 V612	G543-T547 PolarHBondContact O-N 3.35Å; G543-T547 PolarHBondContact O-OG1 3.22Å; Y544-T547 WeakPolarHBondContact CA-OG1 3.4Å; Y544-T547 PolarHBondContact O-OG1 2.96Å; T547-H608 PolarHBondContact OG1-CE1 3.15Å; T547-V612 HydrophobicContact CG2-CG2 3.95Å
548	R	95.9	Very high	96.2	Very high	36 Å²	36	17.5 Å²	17.5	14%	0.136	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.3	170.8	174.2	61.8	-171.3	79	1	112.6	Y544 L546 V757 P758 T759 R760	Y544-R548 WeakPolarHBondContact O-CB 3.47Å; Y544-R548 PolarHBondContact O-N 3.24Å; L546-R548 PolarHBondContact O-N 3.47Å; R548-V757 HydrophobicContact CG-CG1 4.13Å; R548-P758 PolarHBondContact NE-O 3.46Å; R548-P758 PolarHBondContact NH2-O 3.26Å; R548-T759 PolarHBondContact NH2-O 2.95Å; R548-R760 VanDerWaalsContact CZ-CG 3.45Å; R548-R760 VanDerWaalsContact NH2-N 3.14Å
549	Y	96.6	Very high	96.2	Very high	25 Å²	25	13.7 Å²	13.7	10%	0.098	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-25.6	-165.7	-74	-75.6	0	0	0	114.2	C517 L545 L546 S552 L553 V757	C517-Y549 HydrophobicContact CB-CD1 3.73Å; C517-Y549 HydrophobicContact CB-CD2 3.72Å; C517-Y549 HydrophobicContact CB-CE1 3.76Å; C517-Y549 HydrophobicContact CB-CE2 3.74Å; C517-Y549 HydrophobicContact CB-CG 3.68Å; C517-Y549 VanDerWaalsContact SG-CD2 3.58Å; C517-Y549 VanDerWaalsContact SG-CG 3.59Å; L545-Y549 WeakPolarHBondContact O-CD2 3.47Å; L546-Y549 PolarHBondContact O-N 2.91Å; Y549-S552 WeakPolarHBondContact O-CB 3.49Å; Y549-S552 PolarHBondContact O-N 3.47Å; Y549-L553 HydrophobicContact CD1-CD1 4.3Å; Y549-L553 WeakPolarHBondContact O-CB 3.33Å; Y549-L553 WeakPolarHBondContact O-CG 3.11Å; Y549-L553 PolarHBondContact O-N 2.95Å; Y549-V757 HydrophobicContact CE1-CG1 4.49Å; Y549-V757 HydrophobicContact CE2-CG1 3.97Å; Y549-V757 HydrophobicContact CE2-CG2 4.3Å; Y549-V757 WeakPolarHBondContact OH-CG1 3.45Å
550	A	91.8	Very high	96.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-56.8	-171.6	0	0	0	0	0	112.7	F522 L546 Q555 A559	F522-A550 HydrophobicContact CD1-CB 4.28Å; F522-A550 HydrophobicContact CE1-CB 3.45Å; F522-A550 VanDerWaalsContact CE1-CB 3.45Å; F522-A550 HydrophobicContact CE2-CB 4.1Å; F522-A550 HydrophobicContact CZ-CB 3.36Å; L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 3.34Å; A550-Q555 WeakPolarHBondContact O-CB 2.98Å; A550-Q555 PolarHBondContact O-N 2.96Å; A550-A559 VanDerWaalsContact CB-CA 3.42Å; A550-A559 HydrophobicContact CB-CB 3.51Å
551	E	93.2	Very high	96.1	Very high	7 Å²	7	17.9 Å²	17.9	3%	0.033	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-33	177.7	83.3	-55.8	148.8	0	0	111.4	L553 G554 A559 L619 R760 V842	E551-L553 PolarHBondContact O-N 2.76Å; E551-G554 PolarHBondContact O-N 2.97Å; E551-G554 VanDerWaalsContact O-N 3.08Å; E551-A559 HydrophobicContact CB-CB 3.83Å; E551-L619 HydrophobicContact CB-CD2 4.03Å; E551-R760 IonicContact OE1-NH1 3.83Å; E551-R760 PolarHBondContact OE1-NH1 3.26Å; E551-V842 VanDerWaalsContact O-CG1 3.27Å; E551-V842 WeakPolarHBondContact O-CG1 3.45Å
552	S	96.6	Very high	96	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.028	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.7	176.6	-168.2	0	0	0	0	114	Y549 R760	Y549-S552 WeakPolarHBondContact O-CB 3.49Å; Y549-S552 PolarHBondContact O-N 3.47Å; S552-R760 VanDerWaalsContact OG-CD 3.31Å; S552-R760 WeakPolarHBondContact OG-CD 3.41Å; S552-R760 PolarHBondContact OG-NE 3.48Å; S552-R760 VanDerWaalsContact OG-NE 3.09Å
553	L	98.1	Very high	96	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.3	-179.4	-62.6	175.2	0	0	0	112.4	F522 Y549 E551 Q555 L838 S952	F522-L553 HydrophobicContact CB-CB 4.32Å; F522-L553 HydrophobicContact CB-CD1 3.89Å; F522-L553 HydrophobicContact CD2-CD1 4.29Å; F522-L553 HydrophobicContact CG-CD1 4.49Å; Y549-L553 HydrophobicContact CD1-CD1 4.3Å; Y549-L553 WeakPolarHBondContact O-CB 3.33Å; Y549-L553 WeakPolarHBondContact O-CG 3.11Å; Y549-L553 PolarHBondContact O-N 2.95Å; E551-L553 PolarHBondContact O-N 2.76Å; L553-Q555 PolarHBondContact O-N 3.45Å; L553-L838 HydrophobicContact CD2-CD2 4.21Å; L553-S952 WeakPolarHBondContact O-CB 3.49Å; L553-S952 PolarHBondContact O-OG 2.83Å
554	G	96.5	Very high	95.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	19.2	173.1	0	0	0	0	0	115	E551 Y556	E551-G554 PolarHBondContact O-N 2.97Å; E551-G554 VanDerWaalsContact O-N 3.08Å; G554-Y556 PolarHBondContact O-N 3.18Å
555	Q	97.1	Very high	95.7	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	12%	0.119	C	C	.	.			trans	-98.6	72.4	177.3	-65.2	-73.2	-21.2	0	0	109.7	F522 A550 L553 A557 A558 A559 S948 S952	F522-Q555 HydrophobicContact CB-CG 4.03Å; F522-Q555 HydrophobicContact CD1-CB 3.86Å; F522-Q555 HydrophobicContact CD1-CG 4Å; F522-Q555 HydrophobicContact CG-CG 4.42Å; A550-Q555 WeakPolarHBondContact O-CB 2.98Å; A550-Q555 PolarHBondContact O-N 2.96Å; L553-Q555 PolarHBondContact O-N 3.45Å; Q555-A557 PolarHBondContact O-N 3.3Å; Q555-A558 HydrophobicContact CB-CB 4.24Å; Q555-A558 PolarHBondContact O-N 3.11Å; Q555-A559 WeakPolarHBondContact O-CB 3.38Å; Q555-A559 PolarHBondContact O-N 3.29Å; Q555-S948 PolarHBondContact NE2-O 2.92Å; Q555-S952 VanDerWaalsContact NE2-N 3.1Å; Q555-S952 PolarHBondContact NE2-OG 3.48Å
556	Y	97.4	Very high	95.7	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-34.3	-171.6	-57.4	-55.2	0	0	0	113	G554 S560 L619 L622 L623 E955 M956 L959	G554-Y556 PolarHBondContact O-N 3.18Å; Y556-S560 WeakPolarHBondContact O-CB 3.22Å; Y556-S560 PolarHBondContact O-N 3.04Å; Y556-L619 HydrophobicContact CD1-CD2 3.87Å; Y556-L622 HydrophobicContact CD1-CD2 4.17Å; Y556-L622 HydrophobicContact CE1-CD2 3.68Å; Y556-L623 HydrophobicContact CD2-CD2 4.19Å; Y556-L623 HydrophobicContact CG-CD2 4.06Å; Y556-E955 WeakPolarHBondContact CA-OE2 3.25Å; Y556-E955 WeakPolarHBondContact CB-OE2 3.36Å; Y556-E955 HydrophobicContact CD2-CB 4.24Å; Y556-E955 PolarHBondContact N-OE2 3.37Å; Y556-M956 HydrophobicContact CE2-CG 4.08Å; Y556-L959 HydrophobicContact CD2-CD2 4.2Å; Y556-L959 HydrophobicContact CE2-CD2 3.65Å
557	A	96.1	Very high	95.7	Very high	59 Å²	59	22.3 Å²	22.3	49%	0.488	12%	0.122	S	C	.	.	H	α-helix	trans	-63.2	-48.3	175.5	0	0	0	0	0	111.6	Q555 S560 Q561 E955	Q555-A557 PolarHBondContact O-N 3.3Å; A557-S560 WeakPolarHBondContact O-CB 3.49Å; A557-S560 PolarHBondContact O-N 3.01Å; A557-Q561 PolarHBondContact O-N 3.12Å; A557-E955 WeakPolarHBondContact CB-OE1 3.21Å; A557-E955 PolarHBondContact N-OE2 3.44Å
558	A	96.5	Very high	95.6	Very high	12 Å²	12	28.3 Å²	28.3	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-38.2	178	0	0	0	0	0	112.3	F522 V526 Q555 S560 Q561 S562	F522-A558 HydrophobicContact CD1-CB 4.26Å; F522-A558 HydrophobicContact CE1-CB 3.78Å; V526-A558 HydrophobicContact CG2-CB 3.77Å; Q555-A558 HydrophobicContact CB-CB 4.24Å; Q555-A558 PolarHBondContact O-N 3.11Å; A558-S560 VanDerWaalsContact C-N 3.34Å; A558-Q561 PolarHBondContact O-N 2.98Å; A558-S562 WeakPolarHBondContact O-CB 3.49Å; A558-S562 PolarHBondContact O-N 2.87Å; A558-S562 PolarHBondContact O-OG 2.92Å
559	A	97.3	Very high	95.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-45	174.3	0	0	0	0	0	111.4	A550 E551 Q555 Q561 S562 C563 L619	A550-A559 VanDerWaalsContact CB-CA 3.42Å; A550-A559 HydrophobicContact CB-CB 3.51Å; E551-A559 HydrophobicContact CB-CB 3.83Å; Q555-A559 WeakPolarHBondContact O-CB 3.38Å; Q555-A559 PolarHBondContact O-N 3.29Å; A559-Q561 PolarHBondContact O-N 3.3Å; A559-S562 PolarHBondContact O-N 3.4Å; A559-C563 WeakPolarHBondContact O-CB 2.95Å; A559-C563 PolarHBondContact O-N 3.31Å; A559-C563 PolarHBondContact O-SG 3.38Å; A559-L619 HydrophobicContact CB-CD1 3.74Å
560	S	96.3	Very high	95.5	Very high	26 Å²	26	26.6 Å²	26.6	18%	0.182	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-47.1	177.2	171.7	0	0	0	0	111.7	Y556 A557 A558 N564 R616	Y556-S560 WeakPolarHBondContact O-CB 3.22Å; Y556-S560 PolarHBondContact O-N 3.04Å; A557-S560 WeakPolarHBondContact O-CB 3.49Å; A557-S560 PolarHBondContact O-N 3.01Å; A558-S560 VanDerWaalsContact C-N 3.34Å; S560-N564 WeakPolarHBondContact O-CB 2.77Å; S560-N564 VanDerWaalsContact O-CG 3.29Å; S560-N564 PolarHBondContact O-N 3.46Å; S560-N564 VanDerWaalsContact O-N 3.07Å; S560-N564 PolarHBondContact O-ND2 3.35Å; S560-R616 VanDerWaalsContact CB-NH1 3.26Å; S560-R616 PolarHBondContact O-NH1 3.06Å; S560-R616 VanDerWaalsContact O-NH1 3.16Å; S560-R616 PolarHBondContact OG-NH1 3.01Å; S560-R616 PolarHBondContact OG-NH2 2.97Å
561	Q	95.4	Very high	95.3	Very high	95 Å²	95	30.1 Å²	30.1	44%	0.444	15%	0.153	S	C	.	.	H	α-helix	trans	-65.5	-43.6	178	-177.6	173.3	-0	0	0	112.3	A557 A558 A559 N564 F565	A557-Q561 PolarHBondContact O-N 3.12Å; A558-Q561 PolarHBondContact O-N 2.98Å; A559-Q561 PolarHBondContact O-N 3.3Å; Q561-N564 WeakPolarHBondContact O-CB 3.29Å; Q561-N564 PolarHBondContact O-N 2.87Å; Q561-F565 HydrophobicContact CG-CD2 3.93Å; Q561-F565 HydrophobicContact CG-CE2 3.38Å; Q561-F565 HydrophobicContact CG-CZ 3.77Å; Q561-F565 VanDerWaalsContact NE2-CE2 3.32Å; Q561-F565 VanDerWaalsContact NE2-CZ 3.3Å; Q561-F565 WeakPolarHBondContact O-CD2 3.43Å; Q561-F565 WeakPolarHBondContact O-CG 3.46Å; Q561-F565 PolarHBondContact O-N 3.12Å
562	S	95.6	Very high	95.1	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-46.6	179.1	-58.7	0	0	0	0	111.6	A558 A559 N564 F565 A566	A558-S562 WeakPolarHBondContact O-CB 3.49Å; A558-S562 PolarHBondContact O-N 2.87Å; A558-S562 PolarHBondContact O-OG 2.92Å; A559-S562 PolarHBondContact O-N 3.4Å; S562-N564 VanDerWaalsContact C-N 3.32Å; S562-N564 PolarHBondContact O-N 3.32Å; S562-F565 PolarHBondContact O-N 3.42Å; S562-A566 PolarHBondContact O-N 3.3Å; S562-A566 VanDerWaalsContact O-N 3.14Å
563	C	96.6	Very high	94.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-43.1	175.1	-67.2	0	0	0	0	111.5	A559 F565 A566 L567 V612 R616	A559-C563 WeakPolarHBondContact O-CB 2.95Å; A559-C563 PolarHBondContact O-N 3.31Å; A559-C563 PolarHBondContact O-SG 3.38Å; C563-F565 PolarHBondContact O-N 2.87Å; C563-A566 PolarHBondContact O-N 3.36Å; C563-L567 WeakPolarHBondContact O-CB 3.03Å; C563-L567 WeakPolarHBondContact O-CG 3.45Å; C563-L567 PolarHBondContact O-N 3.29Å; C563-V612 HydrophobicContact CB-CG1 3.94Å; C563-V612 WeakPolarHBondContact O-CG1 3.46Å; C563-R616 HydrophobicContact CB-CB 4.17Å
564	N	94.1	Very high	94.1	Very high	50 Å²	50	35.4 Å²	35.4	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-38.6	179.1	-81	-38.8	0	0	0	113	S560 Q561 S562 R568	S560-N564 WeakPolarHBondContact O-CB 2.77Å; S560-N564 VanDerWaalsContact O-CG 3.29Å; S560-N564 PolarHBondContact O-N 3.46Å; S560-N564 VanDerWaalsContact O-N 3.07Å; S560-N564 PolarHBondContact O-ND2 3.35Å; Q561-N564 WeakPolarHBondContact O-CB 3.29Å; Q561-N564 PolarHBondContact O-N 2.87Å; S562-N564 VanDerWaalsContact C-N 3.32Å; S562-N564 PolarHBondContact O-N 3.32Å; N564-R568 WeakPolarHBondContact O-CB 3.37Å; N564-R568 WeakPolarHBondContact O-CG 3.38Å; N564-R568 PolarHBondContact O-N 3.32Å; N564-R568 PolarHBondContact O-NE 2.92Å
565	F	93.5	Very high	93.4	Very high	78 Å²	78	40.3 Å²	40.3	34%	0.342	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-45.5	175.6	-69.2	-40.5	0	0	0	112	Q561 S562 C563 R568 F569	Q561-F565 HydrophobicContact CG-CD2 3.93Å; Q561-F565 HydrophobicContact CG-CE2 3.38Å; Q561-F565 HydrophobicContact CG-CZ 3.77Å; Q561-F565 VanDerWaalsContact NE2-CE2 3.32Å; Q561-F565 VanDerWaalsContact NE2-CZ 3.3Å; Q561-F565 WeakPolarHBondContact O-CD2 3.43Å; Q561-F565 WeakPolarHBondContact O-CG 3.46Å; Q561-F565 PolarHBondContact O-N 3.12Å; S562-F565 PolarHBondContact O-N 3.42Å; C563-F565 PolarHBondContact O-N 2.87Å; F565-R568 PolarHBondContact O-N 3.05Å; F565-F569 PolarHBondContact O-N 3.05Å; F565-F569 VanDerWaalsContact O-N 3.12Å
566	A	95.8	Very high	92.8	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-47.6	177.1	0	0	0	0	0	112.2	S562 C563 R568 F569 F570 V612	S562-A566 PolarHBondContact O-N 3.3Å; S562-A566 VanDerWaalsContact O-N 3.14Å; C563-A566 PolarHBondContact O-N 3.36Å; A566-R568 VanDerWaalsContact C-N 3.35Å; A566-R568 PolarHBondContact O-N 2.93Å; A566-F569 WeakPolarHBondContact O-CB 3.33Å; A566-F569 PolarHBondContact O-N 3.15Å; A566-F569 VanDerWaalsContact O-N 3.11Å; A566-F570 HydrophobicContact CB-CE2 4.29Å; A566-F570 WeakPolarHBondContact O-CD2 3.49Å; A566-F570 PolarHBondContact O-N 2.74Å; A566-V612 HydrophobicContact CB-CB 4.45Å; A566-V612 HydrophobicContact CB-CG1 3.93Å; A566-V612 HydrophobicContact CB-CG2 3.95Å
567	L	94.9	Very high	92.3	Very high	21 Å²	21	43.9 Å²	43.9	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-41.6	177.4	-70.4	177.7	0	0	0	112.7	C563 F569 F570 H571 F609 V612 R613 R616	C563-L567 WeakPolarHBondContact O-CB 3.03Å; C563-L567 WeakPolarHBondContact O-CG 3.45Å; C563-L567 PolarHBondContact O-N 3.29Å; L567-F569 VanDerWaalsContact C-N 3.29Å; L567-F569 PolarHBondContact O-N 3.11Å; L567-F570 PolarHBondContact O-N 3.48Å; L567-H571 WeakPolarHBondContact O-CB 3.5Å; L567-H571 VanDerWaalsContact O-CG 3.26Å; L567-H571 PolarHBondContact O-N 3.11Å; L567-H571 PolarHBondContact O-ND1 3.07Å; L567-F609 HydrophobicContact CD2-CD2 4.18Å; L567-F609 HydrophobicContact CD2-CE2 3.78Å; L567-V612 HydrophobicContact CD1-CG1 4.38Å; L567-V612 HydrophobicContact CD2-CG1 3.76Å; L567-V612 HydrophobicContact CG-CG1 3.61Å; L567-R613 HydrophobicContact CD2-CG 3.67Å; L567-R616 HydrophobicContact CD1-CB 3.83Å; L567-R616 HydrophobicContact CD1-CG 3.67Å
568	R	93.1	Very high	91.5	Very high	146 Å²	146	41.9 Å²	41.9	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-58.1	-44.4	174.7	-76.7	177.9	-137.5	161	3.5	110.9	N564 F565 A566 S572	N564-R568 WeakPolarHBondContact O-CB 3.37Å; N564-R568 WeakPolarHBondContact O-CG 3.38Å; N564-R568 PolarHBondContact O-N 3.32Å; N564-R568 PolarHBondContact O-NE 2.92Å; F565-R568 PolarHBondContact O-N 3.05Å; A566-R568 VanDerWaalsContact C-N 3.35Å; A566-R568 PolarHBondContact O-N 2.93Å; R568-S572 WeakPolarHBondContact O-CB 3.5Å; R568-S572 PolarHBondContact O-N 3.4Å; R568-S572 PolarHBondContact O-OG 2.59Å
569	F	95.1	Very high	90.9	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-51.8	175.6	161.6	-104.2	0	0	0	112	H536 I537 H539 D540 F565 A566 L567 H571 S572 N573 L603	H536-F569 HydrophobicContact CB-CD2 4.4Å; H536-F569 HydrophobicContact CB-CE2 4.39Å; H536-F569 VanDerWaalsContact O-CD2 3.31Å; H536-F569 WeakPolarHBondContact O-CD2 3.32Å; H536-F569 WeakPolarHBondContact O-CE2 3.31Å; I537-F569 HydrophobicContact CD1-CZ 4.12Å; H539-F569 HydrophobicContact CB-CB 4.3Å; H539-F569 HydrophobicContact CB-CD1 4.11Å; H539-F569 HydrophobicContact CB-CG 4.26Å; D540-F569 HydrophobicContact CB-CE1 4.01Å; F565-F569 PolarHBondContact O-N 3.05Å; F565-F569 VanDerWaalsContact O-N 3.12Å; A566-F569 WeakPolarHBondContact O-CB 3.33Å; A566-F569 PolarHBondContact O-N 3.15Å; A566-F569 VanDerWaalsContact O-N 3.11Å; L567-F569 VanDerWaalsContact C-N 3.29Å; L567-F569 PolarHBondContact O-N 3.11Å; F569-H571 PolarHBondContact O-N 2.98Å; F569-S572 PolarHBondContact O-N 3.04Å; F569-N573 HydrophobicContact CE2-CB 4.45Å; F569-N573 VanDerWaalsContact O-CB 3.31Å; F569-N573 WeakPolarHBondContact O-CB 3.37Å; F569-N573 PolarHBondContact O-N 3.21Å; F569-L603 HydrophobicContact CZ-CD1 4.25Å
570	F	94.3	Very high	90.4	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-42.6	-177.3	-71.5	-67.4	0	0	0	112.8	D540 A566 L567 N573 Q574 F609	D540-F570 HydrophobicContact CB-CE1 4.16Å; D540-F570 HydrophobicContact CB-CZ 3.99Å; D540-F570 WeakPolarHBondContact OD1-CZ 3.44Å; A566-F570 HydrophobicContact CB-CE2 4.29Å; A566-F570 WeakPolarHBondContact O-CD2 3.49Å; A566-F570 PolarHBondContact O-N 2.74Å; L567-F570 PolarHBondContact O-N 3.48Å; F570-N573 PolarHBondContact O-N 3Å; F570-Q574 WeakPolarHBondContact O-CG 3.41Å; F570-Q574 PolarHBondContact O-N 2.92Å; F570-F609 HydrophobicContact CB-CD1 4.46Å; F570-F609 HydrophobicContact CB-CD2 3.49Å; F570-F609 VanDerWaalsContact CB-CD2 3.49Å; F570-F609 HydrophobicContact CB-CE1 4.46Å; F570-F609 HydrophobicContact CB-CE2 3.48Å; F570-F609 VanDerWaalsContact CB-CE2 3.48Å; F570-F609 HydrophobicContact CB-CG 4.01Å; F570-F609 HydrophobicContact CB-CZ 4Å; F570-F609 HydrophobicContact CD1-CB 3.84Å; F570-F609 HydrophobicContact CD1-CD1 4.46Å; F570-F609 HydrophobicContact CD1-CD2 4.12Å; F570-F609 AromaticContact CD1-CG 3.9Å; F570-F609 HydrophobicContact CD1-CG 3.9Å; F570-F609 HydrophobicContact CD2-CB 3.87Å; F570-F609 AromaticContact CD2-CD2 3.32Å; F570-F609 HydrophobicContact CD2-CD2 3.32Å; F570-F609 HydrophobicContact CD2-CE2 4.11Å; F570-F609 AromaticContact CD2-CG 3.83Å; F570-F609 HydrophobicContact CD2-CG 3.83Å; F570-F609 HydrophobicContact CE1-CB 3.73Å; F570-F609 HydrophobicContact CE1-CG 4.32Å; F570-F609 HydrophobicContact CE2-CB 3.77Å; F570-F609 HydrophobicContact CE2-CD2 4.04Å; F570-F609 HydrophobicContact CE2-CG 4.26Å; F570-F609 HydrophobicContact CG-CB 3.92Å; F570-F609 HydrophobicContact CG-CD1 4.41Å; F570-F609 AromaticContact CG-CD2 3.38Å; F570-F609 HydrophobicContact CG-CD2 3.38Å; F570-F609 AromaticContact CG-CE2 3.95Å; F570-F609 HydrophobicContact CG-CE2 3.95Å; F570-F609 AromaticContact CG-CG 3.65Å; F570-F609 HydrophobicContact CG-CG 3.65Å; F570-F609 HydrophobicContact CZ-CB 3.7Å; F570-F609 HydrophobicContact CZ-CG 4.48Å
571	H	88.8	Confident	90	Very high	74 Å²	74	48.9 Å²	48.9	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-40	177	-64.1	163.9	0	0	0	112.2	L567 F569 Q574 K575 F609	L567-H571 WeakPolarHBondContact O-CB 3.5Å; L567-H571 VanDerWaalsContact O-CG 3.26Å; L567-H571 PolarHBondContact O-N 3.11Å; L567-H571 PolarHBondContact O-ND1 3.07Å; F569-H571 PolarHBondContact O-N 2.98Å; H571-Q574 PolarHBondContact O-N 3.44Å; H571-K575 PolarHBondContact O-N 3.09Å; H571-F609 AromaticContact NE2-CZ 3.99Å
572	S	88.6	Confident	89.5	Confident	62 Å²	62	44.4 Å²	44.4	43%	0.434	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-44.1	172.1	-77.4	0	0	0	0	111.3	R568 F569 Q574 K575 D576	R568-S572 WeakPolarHBondContact O-CB 3.5Å; R568-S572 PolarHBondContact O-N 3.4Å; R568-S572 PolarHBondContact O-OG 2.59Å; F569-S572 PolarHBondContact O-N 3.04Å; S572-Q574 PolarHBondContact O-N 2.97Å; S572-K575 WeakPolarHBondContact O-CB 3.14Å; S572-K575 PolarHBondContact O-N 3.21Å; S572-K575 VanDerWaalsContact O-N 3.14Å; S572-D576 WeakPolarHBondContact O-CB 3.21Å; S572-D576 PolarHBondContact O-N 3.1Å
573	N	88.5	Confident	89.2	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-46.2	177.9	177.3	74	0	0	0	112.1	F569 F570 K575 D576 T577 L603	F569-N573 HydrophobicContact CE2-CB 4.45Å; F569-N573 VanDerWaalsContact O-CB 3.31Å; F569-N573 WeakPolarHBondContact O-CB 3.37Å; F569-N573 PolarHBondContact O-N 3.21Å; F570-N573 PolarHBondContact O-N 3Å; N573-K575 PolarHBondContact O-N 2.86Å; N573-D576 PolarHBondContact O-N 2.96Å; N573-T577 WeakPolarHBondContact O-CB 3.15Å; N573-T577 PolarHBondContact O-N 3.48Å; N573-T577 PolarHBondContact O-OG1 2.68Å; N573-T577 PolarHBondContact OD1-OG1 3.07Å; N573-L603 WeakPolarHBondContact ND2-CD1 3.49Å; N573-L603 VanDerWaalsContact OD1-CD1 3.25Å; N573-L603 WeakPolarHBondContact OD1-CD1 2.99Å
574	Q	84.1	Confident	89.1	Confident	51 Å²	51	46.9 Å²	46.9	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-53.8	-42.9	175.3	-77.1	171.8	-1.5	0	0	112.5	F570 H571 S572 S578 N604	F570-Q574 WeakPolarHBondContact O-CG 3.41Å; F570-Q574 PolarHBondContact O-N 2.92Å; H571-Q574 PolarHBondContact O-N 3.44Å; S572-Q574 PolarHBondContact O-N 2.97Å; Q574-S578 WeakPolarHBondContact O-CB 3.4Å; Q574-S578 PolarHBondContact O-OG 3.02Å; Q574-N604 WeakPolarHBondContact CG-OD1 3.22Å; Q574-N604 PolarHBondContact NE2-OD1 2.81Å
575	K	81.4	Confident	88.9	Confident	103 Å²	103	44.6 Å²	44.6	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-71	-45.8	178.6	-179.3	-177.5	173.5	-178.2	0	112.2	H571 S572 N573 E579	H571-K575 PolarHBondContact O-N 3.09Å; S572-K575 WeakPolarHBondContact O-CB 3.14Å; S572-K575 PolarHBondContact O-N 3.21Å; S572-K575 VanDerWaalsContact O-N 3.14Å; N573-K575 PolarHBondContact O-N 2.86Å; K575-E579 PolarHBondContact O-N 3.46Å
576	D	85.9	Confident	88.7	Confident	75 Å²	75	46.5 Å²	46.5	40%	0.401	22%	0.217	S	C	.	.	H	α-helix	trans	-78.4	-45.9	-169.9	-67.3	-15.2	0	0	0	111.4	S572 N573 S578 E579 Y580	S572-D576 WeakPolarHBondContact O-CB 3.21Å; S572-D576 PolarHBondContact O-N 3.1Å; N573-D576 PolarHBondContact O-N 2.96Å; D576-S578 PolarHBondContact O-N 3.11Å; D576-E579 WeakPolarHBondContact O-CA 3.09Å; D576-E579 WeakPolarHBondContact O-CB 3.39Å; D576-E579 PolarHBondContact O-N 3.38Å; D576-Y580 HydrophobicContact CB-CD2 4.44Å; D576-Y580 HydrophobicContact CB-CE2 4.13Å; D576-Y580 WeakPolarHBondContact O-CD2 3.4Å; D576-Y580 PolarHBondContact O-N 3.09Å
577	T	85.8	Confident	88.5	Confident	10 Å²	10	54.9 Å²	54.9	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-37.3	177.3	-47.8	0	0	0	0	111.4	N573 E579 Y580 I581 F599 R600	N573-T577 WeakPolarHBondContact O-CB 3.15Å; N573-T577 PolarHBondContact O-N 3.48Å; N573-T577 PolarHBondContact O-OG1 2.68Å; N573-T577 PolarHBondContact OD1-OG1 3.07Å; T577-E579 VanDerWaalsContact C-N 3.27Å; T577-E579 PolarHBondContact O-N 3.14Å; T577-Y580 PolarHBondContact O-N 3.45Å; T577-I581 HydrophobicContact CG2-CD1 4.29Å; T577-I581 WeakPolarHBondContact O-CD1 3.49Å; T577-I581 VanDerWaalsContact O-CG1 3.31Å; T577-I581 WeakPolarHBondContact O-CG1 3.35Å; T577-I581 PolarHBondContact O-N 3.4Å; T577-F599 HydrophobicContact CG2-CD1 4.4Å; T577-R600 HydrophobicContact CG2-CB 3.77Å; T577-R600 HydrophobicContact CG2-CG 4.23Å
578	S	80.8	Confident	88.2	Confident	16 Å²	16	54.6 Å²	54.6	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-31.4	175.3	-59.9	0	0	0	0	112.9	Q574 D576 I582	Q574-S578 WeakPolarHBondContact O-CB 3.4Å; Q574-S578 PolarHBondContact O-OG 3.02Å; D576-S578 PolarHBondContact O-N 3.11Å; S578-I582 PolarHBondContact O-N 2.97Å
579	E	82.7	Confident	88.2	Confident	51 Å²	51	49.3 Å²	49.3	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-76.9	-37.5	174	-168.4	63.8	-147.6	0	0	111.8	R90 R125 K575 D576 T577 I581 I582 Q583	R90-E579 IonicContact NH1-OE2 3.7Å; R90-E579 IonicContact NH2-OE2 3.82Å; R125-E579 IonicContact NH2-OE2 3.67Å; R125-E579 PolarHBondContact NH2-OE2 3.41Å; K575-E579 PolarHBondContact O-N 3.46Å; D576-E579 WeakPolarHBondContact O-CA 3.09Å; D576-E579 WeakPolarHBondContact O-CB 3.39Å; D576-E579 PolarHBondContact O-N 3.38Å; T577-E579 VanDerWaalsContact C-N 3.27Å; T577-E579 PolarHBondContact O-N 3.14Å; E579-I581 VanDerWaalsContact C-N 3.32Å; E579-I581 PolarHBondContact O-N 3.02Å; E579-I582 WeakPolarHBondContact O-CB 3.19Å; E579-I582 PolarHBondContact O-N 3.18Å; E579-I582 VanDerWaalsContact O-N 3.16Å; E579-Q583 WeakPolarHBondContact O-CG 3.38Å; E579-Q583 PolarHBondContact O-N 3.06Å
580	Y	87.8	Confident	88	Confident	131 Å²	131	48.4 Å²	48.4	51%	0.514	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-32.3	175.4	-70.5	-63.5	0	0	0	112.7	D576 T577 I582 Q583 A584	D576-Y580 HydrophobicContact CB-CD2 4.44Å; D576-Y580 HydrophobicContact CB-CE2 4.13Å; D576-Y580 WeakPolarHBondContact O-CD2 3.4Å; D576-Y580 PolarHBondContact O-N 3.09Å; T577-Y580 PolarHBondContact O-N 3.45Å; Y580-I582 VanDerWaalsContact C-N 3.33Å; Y580-Q583 PolarHBondContact O-N 2.8Å; Y580-A584 PolarHBondContact O-N 3.48Å
581	I	87.3	Confident	87.8	Confident	4 Å²	4	51 Å²	51	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-43.5	169.9	-69.3	156.9	0	0	0	110.7	T577 E579 Q583 A584 Y585 I593 F596 I597	T577-I581 HydrophobicContact CG2-CD1 4.29Å; T577-I581 WeakPolarHBondContact O-CD1 3.49Å; T577-I581 VanDerWaalsContact O-CG1 3.31Å; T577-I581 WeakPolarHBondContact O-CG1 3.35Å; T577-I581 PolarHBondContact O-N 3.4Å; E579-I581 VanDerWaalsContact C-N 3.32Å; E579-I581 PolarHBondContact O-N 3.02Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 3.38Å; I581-A584 WeakPolarHBondContact O-CB 3.45Å; I581-A584 PolarHBondContact O-N 3.25Å; I581-Y585 HydrophobicContact CG2-CE2 4.17Å; I581-Y585 VanDerWaalsContact O-CD2 3.3Å; I581-Y585 WeakPolarHBondContact O-CD2 3.22Å; I581-Y585 PolarHBondContact O-N 3.24Å; I581-I593 HydrophobicContact CG2-CG2 4.44Å; I581-F596 HydrophobicContact CD1-CB 4.45Å; I581-F596 HydrophobicContact CG1-CB 3.76Å; I581-F596 HydrophobicContact CG1-CD2 4.41Å; I581-I597 HydrophobicContact CD1-CD1 3.45Å; I581-I597 VanDerWaalsContact CD1-CD1 3.45Å; I581-I597 HydrophobicContact CD1-CG1 4.12Å; I581-I597 HydrophobicContact CG1-CD1 4.28Å
582	I	85.4	Confident	88	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-42.7	175	-75.3	165.7	0	0	0	111.2	M121 A124 R125 S578 E579 Y580 A584 Y585 K586	M121-I582 HydrophobicContact CB-CD1 4.12Å; M121-I582 HydrophobicContact CB-CG1 4.17Å; M121-I582 HydrophobicContact CB-CG2 4.37Å; M121-I582 HydrophobicContact CE-CG2 4.43Å; M121-I582 HydrophobicContact CG-CG2 4Å; M121-I582 HydrophobicContact SD-CB 4.06Å; M121-I582 HydrophobicContact SD-CG1 3.94Å; M121-I582 HydrophobicContact SD-CG2 3.57Å; M121-I582 VanDerWaalsContact SD-CG2 3.57Å; A124-I582 HydrophobicContact CB-CG1 4.48Å; R125-I582 HydrophobicContact CB-CD1 4.45Å; S578-I582 PolarHBondContact O-N 2.97Å; E579-I582 WeakPolarHBondContact O-CB 3.19Å; E579-I582 PolarHBondContact O-N 3.18Å; E579-I582 VanDerWaalsContact O-N 3.16Å; Y580-I582 VanDerWaalsContact C-N 3.33Å; I582-A584 VanDerWaalsContact C-N 3.33Å; I582-Y585 PolarHBondContact O-N 2.67Å; I582-K586 PolarHBondContact O-N 2.85Å
583	Q	89.5	Confident	88.2	Confident	61 Å²	61	48 Å²	48	29%	0.285	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-35.5	177	-70.4	179.3	32.1	0	0	112.3	E579 Y580 I581 Y585 K586 Y587	E579-Q583 WeakPolarHBondContact O-CG 3.38Å; E579-Q583 PolarHBondContact O-N 3.06Å; Y580-Q583 PolarHBondContact O-N 2.8Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 3.38Å; Q583-Y585 VanDerWaalsContact C-N 3.31Å; Q583-Y585 PolarHBondContact O-N 3.45Å; Q583-K586 PolarHBondContact O-N 3.24Å; Q583-Y587 HydrophobicContact CB-CD2 4.08Å; Q583-Y587 HydrophobicContact CB-CE2 4Å; Q583-Y587 HydrophobicContact CG-CE2 4.42Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.36Å; Q583-Y587 PolarHBondContact O-N 3.45Å
584	A	92.9	Very high	88.3	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-40.1	176.6	0	0	0	0	0	112.2	Y580 I581 I582 G588 A589 I593 F596	Y580-A584 PolarHBondContact O-N 3.48Å; I581-A584 WeakPolarHBondContact O-CB 3.45Å; I581-A584 PolarHBondContact O-N 3.25Å; I582-A584 VanDerWaalsContact C-N 3.33Å; A584-G588 PolarHBondContact O-N 3.24Å; A584-A589 HydrophobicContact CB-CB 4.22Å; A584-A589 PolarHBondContact O-N 3.08Å; A584-I593 HydrophobicContact CB-CD1 4.18Å; A584-I593 HydrophobicContact CB-CG1 3.55Å; A584-F596 HydrophobicContact CB-CD2 4.22Å; A584-F596 HydrophobicContact CB-CE2 4.04Å
585	Y	91.1	Very high	88.8	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-42	171.5	-77.7	-80.2	0	0	0	112.5	F120 A124 M132 W151 M154 I581 I582 Q583 G588 F590 I593	F120-Y585 HydrophobicContact CE1-CD1 4.04Å; F120-Y585 HydrophobicContact CE1-CD2 4.44Å; F120-Y585 HydrophobicContact CE1-CE1 4.25Å; F120-Y585 HydrophobicContact CE1-CG 4.15Å; F120-Y585 HydrophobicContact CZ-CD1 4.12Å; F120-Y585 AromaticContact CZ-CE1 3.98Å; F120-Y585 HydrophobicContact CZ-CE1 3.98Å; A124-Y585 HydrophobicContact CB-CE2 4.45Å; M132-Y585 HydrophobicContact CE-CE1 4.39Å; M132-Y585 HydrophobicContact CE-CE2 3.99Å; M132-Y585 WeakPolarHBondContact CE-OH 3.45Å; W151-Y585 HydrophobicContact CB-CD1 4.43Å; W151-Y585 AromaticContact CD1-CD1 3.96Å; W151-Y585 HydrophobicContact CG-CD1 4.12Å; W151-Y585 PolarHBondContact NE1-O 2.77Å; M154-Y585 HydrophobicContact CB-CE1 3.82Å; M154-Y585 HydrophobicContact CG-CD1 4.45Å; M154-Y585 HydrophobicContact CG-CE1 3.57Å; I581-Y585 HydrophobicContact CG2-CE2 4.17Å; I581-Y585 VanDerWaalsContact O-CD2 3.3Å; I581-Y585 WeakPolarHBondContact O-CD2 3.22Å; I581-Y585 PolarHBondContact O-N 3.24Å; I582-Y585 PolarHBondContact O-N 2.67Å; Q583-Y585 VanDerWaalsContact C-N 3.31Å; Q583-Y585 PolarHBondContact O-N 3.45Å; Y585-G588 PolarHBondContact O-N 3.43Å; Y585-F590 HydrophobicContact CD1-CE1 4.18Å; Y585-I593 HydrophobicContact CD1-CD1 3.87Å; Y585-I593 HydrophobicContact CD2-CD1 3.8Å; Y585-I593 HydrophobicContact CE1-CD1 3.78Å; Y585-I593 HydrophobicContact CE2-CD1 3.68Å; Y585-I593 HydrophobicContact CE2-CG1 4.44Å; Y585-I593 HydrophobicContact CE2-CG2 4.29Å; Y585-I593 HydrophobicContact CG-CD1 3.87Å
586	K	89	Confident	89.4	Confident	118 Å²	118	48.8 Å²	48.8	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-68.5	-36.5	-178.1	-68.5	179.1	179.1	178.4	0	113.1	M121 W151 I582 Q583	M121-K586 HydrophobicContact CE-CG 3.95Å; W151-K586 HydrophobicContact CZ2-CG 4.4Å; I582-K586 PolarHBondContact O-N 2.85Å; Q583-K586 PolarHBondContact O-N 3.24Å
587	Y	91.4	Very high	89.6	Confident	178 Å²	178	45.7 Å²	45.7	70%	0.698	21%	0.214	S	C	*	.	H	α-helix	trans	-90.6	-3.2	179.8	-64	-55.8	0	0	0	113.7	Q583	Q583-Y587 HydrophobicContact CB-CD2 4.08Å; Q583-Y587 HydrophobicContact CB-CE2 4Å; Q583-Y587 HydrophobicContact CG-CE2 4.42Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.36Å; Q583-Y587 PolarHBondContact O-N 3.45Å
588	G	89.4	Confident	89.9	Confident	16 Å²	16	48 Å²	48	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	20.3	-179.2	0	0	0	0	0	114.1	A194 A584 Y585 F590	A194-G588 WeakPolarHBondContact CB-O 3.36Å; A584-G588 PolarHBondContact O-N 3.24Å; Y585-G588 PolarHBondContact O-N 3.43Å; G588-F590 PolarHBondContact O-N 3.23Å
589	A	91.4	Very high	90.5	Very high	34 Å²	34	51.3 Å²	51.3	28%	0.281	25%	0.246	S	C	.	.			trans	-81.4	59.5	177.9	0	0	0	0	0	111.4	A584 E591 K592	A584-A589 HydrophobicContact CB-CB 4.22Å; A584-A589 PolarHBondContact O-N 3.08Å; A589-E591 PolarHBondContact O-N 2.94Å; A589-K592 HydrophobicContact CB-CB 4.36Å; A589-K592 HydrophobicContact CB-CG 4.45Å; A589-K592 PolarHBondContact O-N 3.42Å
590	F	92.3	Very high	91	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.5	-170.8	-63.9	-47.8	0	0	0	113.4	F150 W151 M154 A194 L198 Y585 G588 K592 I593 P594	F150-F590 HydrophobicContact CB-CE2 3.94Å; F150-F590 HydrophobicContact CB-CZ 3.92Å; W151-F590 AromaticContact CD1-CE1 3.94Å; M154-F590 HydrophobicContact CB-CD1 4.02Å; M154-F590 HydrophobicContact CB-CE1 4.31Å; M154-F590 HydrophobicContact CG-CD1 3.87Å; M154-F590 HydrophobicContact SD-CB 3.89Å; M154-F590 HydrophobicContact SD-CD1 4.28Å; M154-F590 HydrophobicContact SD-CG 4.37Å; A194-F590 HydrophobicContact CB-CD2 3.98Å; A194-F590 HydrophobicContact CB-CE2 4.09Å; L198-F590 HydrophobicContact CB-CB 4.41Å; L198-F590 HydrophobicContact CB-CD2 4Å; L198-F590 HydrophobicContact CD1-CB 4.23Å; L198-F590 HydrophobicContact CD2-CD2 3.76Å; L198-F590 HydrophobicContact CD2-CE2 4.01Å; L198-F590 HydrophobicContact CD2-CG 4.19Å; L198-F590 HydrophobicContact CG-CD2 4.39Å; Y585-F590 HydrophobicContact CD1-CE1 4.18Å; G588-F590 PolarHBondContact O-N 3.23Å; F590-K592 PolarHBondContact O-N 3.3Å; F590-I593 HydrophobicContact CD1-CD1 4.02Å; F590-I593 PolarHBondContact O-N 3.22Å; F590-P594 VanDerWaalsContact O-CD 3.29Å; F590-P594 WeakPolarHBondContact O-CD 3.27Å
591	E	89.9	Confident	91.2	Very high	55 Å²	55	47.3 Å²	47.3	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.3	178.1	-167.2	163.8	-179.3	0	0	112.3	K234 A589 P594	K234-E591 IonicContact NZ-OE1 2.6Å; K234-E591 IonicContact NZ-OE2 3.76Å; K234-E591 PolarHBondContact NZ-OE2 3.14Å; A589-E591 PolarHBondContact O-N 2.94Å; E591-P594 WeakPolarHBondContact O-CD 3.26Å
592	K	92.9	Very high	91.6	Very high	72 Å²	72	53.6 Å²	53.6	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-83.2	-16.6	179.2	-58.7	-53.9	178.8	-170.3	0	114.5	A589 F590 E595 F596	A589-K592 HydrophobicContact CB-CB 4.36Å; A589-K592 HydrophobicContact CB-CG 4.45Å; A589-K592 PolarHBondContact O-N 3.42Å; F590-K592 PolarHBondContact O-N 3.3Å; K592-E595 WeakPolarHBondContact CD-OE2 3.33Å; K592-E595 VanDerWaalsContact NZ-CD 3.29Å; K592-E595 IonicContact NZ-OE1 2.71Å; K592-E595 PolarHBondContact NZ-OE1 3.44Å; K592-E595 IonicContact NZ-OE2 3.77Å; K592-E595 PolarHBondContact NZ-OE2 3.22Å; K592-E595 PolarHBondContact O-N 2.98Å; K592-F596 HydrophobicContact CB-CE1 4.43Å; K592-F596 HydrophobicContact CB-CE2 4.18Å; K592-F596 HydrophobicContact CB-CZ 4.11Å; K592-F596 WeakPolarHBondContact O-CB 3.43Å; K592-F596 VanDerWaalsContact O-CG 3.29Å; K592-F596 WeakPolarHBondContact O-CG 3.48Å; K592-F596 PolarHBondContact O-N 2.58Å
593	I	92.6	Very high	92.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-48.8	-179.7	-66.9	167.7	0	0	0	111.6	M154 M158 I581 A584 Y585 F590 E595 F596 I597	M154-I593 HydrophobicContact CE-CB 3.99Å; M154-I593 HydrophobicContact CE-CG2 4.02Å; M154-I593 HydrophobicContact CG-CD1 3.88Å; M154-I593 HydrophobicContact SD-CD1 4.5Å; M158-I593 HydrophobicContact CE-CG2 4.46Å; M158-I593 HydrophobicContact CG-CG2 4.35Å; M158-I593 HydrophobicContact SD-CG2 3.69Å; I581-I593 HydrophobicContact CG2-CG2 4.44Å; A584-I593 HydrophobicContact CB-CD1 4.18Å; A584-I593 HydrophobicContact CB-CG1 3.55Å; Y585-I593 HydrophobicContact CD1-CD1 3.87Å; Y585-I593 HydrophobicContact CD2-CD1 3.8Å; Y585-I593 HydrophobicContact CE1-CD1 3.78Å; Y585-I593 HydrophobicContact CE2-CD1 3.68Å; Y585-I593 HydrophobicContact CE2-CG1 4.44Å; Y585-I593 HydrophobicContact CE2-CG2 4.29Å; Y585-I593 HydrophobicContact CG-CD1 3.87Å; F590-I593 HydrophobicContact CD1-CD1 4.02Å; F590-I593 PolarHBondContact O-N 3.22Å; I593-E595 VanDerWaalsContact C-N 3.3Å; I593-E595 PolarHBondContact O-N 3.34Å; I593-F596 PolarHBondContact O-N 2.88Å; I593-I597 VanDerWaalsContact O-CG1 3.25Å; I593-I597 WeakPolarHBondContact O-CG1 3.45Å; I593-I597 PolarHBondContact O-N 3.11Å
594	P	91.4	Very high	92.2	Very high	21 Å²	21	52.7 Å²	52.7	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-40.3	172.9	-25.6	35.4	0	0	0	113.1	M154 I161 M201 F590 E591 I597 A598	M154-P594 HydrophobicContact CE-CG 3.94Å; I161-P594 HydrophobicContact CD1-CB 4.04Å; I161-P594 HydrophobicContact CD1-CG 3.84Å; M201-P594 HydrophobicContact SD-CG 4.13Å; F590-P594 VanDerWaalsContact O-CD 3.29Å; F590-P594 WeakPolarHBondContact O-CD 3.27Å; E591-P594 WeakPolarHBondContact O-CD 3.26Å; P594-I597 PolarHBondContact O-N 3.39Å; P594-A598 WeakPolarHBondContact O-CB 3.46Å; P594-A598 PolarHBondContact O-N 3.5Å
595	E	93.8	Very high	92.4	Very high	97 Å²	97	54.2 Å²	54.2	45%	0.453	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-46.4	176.9	-67.1	179.3	-160.9	0	0	111.7	K592 I593 I597 A598 F599	K592-E595 WeakPolarHBondContact CD-OE2 3.33Å; K592-E595 VanDerWaalsContact NZ-CD 3.29Å; K592-E595 IonicContact NZ-OE1 2.71Å; K592-E595 PolarHBondContact NZ-OE1 3.44Å; K592-E595 IonicContact NZ-OE2 3.77Å; K592-E595 PolarHBondContact NZ-OE2 3.22Å; K592-E595 PolarHBondContact O-N 2.98Å; I593-E595 VanDerWaalsContact C-N 3.3Å; I593-E595 PolarHBondContact O-N 3.34Å; E595-I597 VanDerWaalsContact C-N 3.33Å; E595-I597 PolarHBondContact O-N 3.36Å; E595-A598 PolarHBondContact O-N 2.87Å; E595-F599 WeakPolarHBondContact O-CB 3.32Å; E595-F599 PolarHBondContact O-N 2.77Å
596	F	93.6	Very high	92.7	Very high	69 Å²	69	54.1 Å²	54.1	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-36.9	177.5	-69.2	-17.2	0	0	0	112.7	I581 A584 K592 I593 R600	I581-F596 HydrophobicContact CD1-CB 4.45Å; I581-F596 HydrophobicContact CG1-CB 3.76Å; I581-F596 HydrophobicContact CG1-CD2 4.41Å; A584-F596 HydrophobicContact CB-CD2 4.22Å; A584-F596 HydrophobicContact CB-CE2 4.04Å; K592-F596 HydrophobicContact CB-CE1 4.43Å; K592-F596 HydrophobicContact CB-CE2 4.18Å; K592-F596 HydrophobicContact CB-CZ 4.11Å; K592-F596 WeakPolarHBondContact O-CB 3.43Å; K592-F596 VanDerWaalsContact O-CG 3.29Å; K592-F596 WeakPolarHBondContact O-CG 3.48Å; K592-F596 PolarHBondContact O-N 2.58Å; I593-F596 PolarHBondContact O-N 2.88Å; F596-R600 VanDerWaalsContact O-CB 3.29Å; F596-R600 WeakPolarHBondContact O-CB 3.29Å; F596-R600 PolarHBondContact O-N 2.97Å
597	I	90.1	Very high	93.2	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-44.6	175	-66.2	-75.6	0	0	0	110.4	M158 I581 I593 P594 E595 F599 R600 N601	M158-I597 HydrophobicContact CE-CB 4.32Å; M158-I597 HydrophobicContact CE-CD1 4.43Å; M158-I597 HydrophobicContact CE-CG1 3.76Å; M158-I597 HydrophobicContact CE-CG2 4.34Å; I581-I597 HydrophobicContact CD1-CD1 3.45Å; I581-I597 VanDerWaalsContact CD1-CD1 3.45Å; I581-I597 HydrophobicContact CD1-CG1 4.12Å; I581-I597 HydrophobicContact CG1-CD1 4.28Å; I593-I597 VanDerWaalsContact O-CG1 3.25Å; I593-I597 WeakPolarHBondContact O-CG1 3.45Å; I593-I597 PolarHBondContact O-N 3.11Å; P594-I597 PolarHBondContact O-N 3.39Å; E595-I597 VanDerWaalsContact C-N 3.33Å; E595-I597 PolarHBondContact O-N 3.36Å; I597-F599 VanDerWaalsContact C-N 3.35Å; I597-F599 PolarHBondContact O-N 3.14Å; I597-R600 PolarHBondContact O-N 3.34Å; I597-N601 WeakPolarHBondContact O-CB 3.44Å; I597-N601 PolarHBondContact O-N 3.15Å; I597-N601 PolarHBondContact O-OD1 3.34Å
598	A	92	Very high	93.5	Very high	58 Å²	58	40.1 Å²	40.1	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-43.6	175.5	0	0	0	0	0	111.7	P594 E595 N601 R602	P594-A598 WeakPolarHBondContact O-CB 3.46Å; P594-A598 PolarHBondContact O-N 3.5Å; E595-A598 PolarHBondContact O-N 2.87Å; A598-N601 PolarHBondContact O-N 3.05Å; A598-R602 VanDerWaalsContact O-CB 3.29Å; A598-R602 WeakPolarHBondContact O-CB 3.26Å; A598-R602 PolarHBondContact O-N 3.37Å
599	F	94.7	Very high	93.9	Very high	86 Å²	86	39.6 Å²	39.6	38%	0.377	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-46.8	175.5	178.2	-103	0	0	0	112.2	I537 T577 E595 I597 N601 R602 L603	I537-F599 HydrophobicContact CD1-CE2 4.4Å; I537-F599 HydrophobicContact CD1-CZ 4.3Å; T577-F599 HydrophobicContact CG2-CD1 4.4Å; E595-F599 WeakPolarHBondContact O-CB 3.32Å; E595-F599 PolarHBondContact O-N 2.77Å; I597-F599 VanDerWaalsContact C-N 3.35Å; I597-F599 PolarHBondContact O-N 3.14Å; F599-N601 VanDerWaalsContact C-N 3.34Å; F599-N601 PolarHBondContact O-N 3.4Å; F599-R602 PolarHBondContact O-N 3.22Å; F599-L603 HydrophobicContact CD1-CD1 4.16Å; F599-L603 HydrophobicContact CE1-CD1 3.43Å; F599-L603 VanDerWaalsContact CE1-CD1 3.43Å; F599-L603 HydrophobicContact CE1-CG 4.37Å; F599-L603 HydrophobicContact CE2-CD1 3.95Å; F599-L603 HydrophobicContact CE2-CG 4.29Å; F599-L603 HydrophobicContact CZ-CD1 3.32Å; F599-L603 HydrophobicContact CZ-CG 4.14Å; F599-L603 PolarHBondContact O-N 2.88Å
600	R	92.4	Very high	94.2	Very high	28 Å²	28	38 Å²	38	11%	0.106	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-47.8	175.5	-172.5	-179.2	66.7	175.5	0.1	111.4	T577 F596 I597 L603 N604	T577-R600 HydrophobicContact CG2-CB 3.77Å; T577-R600 HydrophobicContact CG2-CG 4.23Å; F596-R600 VanDerWaalsContact O-CB 3.29Å; F596-R600 WeakPolarHBondContact O-CB 3.29Å; F596-R600 PolarHBondContact O-N 2.97Å; I597-R600 PolarHBondContact O-N 3.34Å; R600-L603 PolarHBondContact O-N 3.21Å; R600-N604 WeakPolarHBondContact O-CB 3.44Å; R600-N604 VanDerWaalsContact O-CG 3.32Å; R600-N604 PolarHBondContact O-N 2.97Å
601	N	91.8	Very high	94.5	Very high	69 Å²	69	38.8 Å²	38.8	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-40.8	-180	-67.6	-3.7	0	0	0	111	I597 A598 F599 L603 N604 N605	I597-N601 WeakPolarHBondContact O-CB 3.44Å; I597-N601 PolarHBondContact O-N 3.15Å; I597-N601 PolarHBondContact O-OD1 3.34Å; A598-N601 PolarHBondContact O-N 3.05Å; F599-N601 VanDerWaalsContact C-N 3.34Å; F599-N601 PolarHBondContact O-N 3.4Å; N601-L603 VanDerWaalsContact C-N 3.3Å; N601-L603 PolarHBondContact O-N 2.72Å; N601-N604 PolarHBondContact O-N 3.17Å; N601-N605 VanDerWaalsContact O-CB 3.26Å; N601-N605 WeakPolarHBondContact O-CB 3.38Å; N601-N605 VanDerWaalsContact O-CG 3.23Å; N601-N605 PolarHBondContact O-N 2.83Å
602	R	96.1	Very high	94.9	Very high	137 Å²	137	36.2 Å²	36.2	52%	0.517	18%	0.176	S	C	.	.	H	α-helix	trans	-59.8	-38.4	175.6	-179.5	174.8	-178.5	175.6	0.5	112.8	A598 F599 S606 R653 N655	A598-R602 VanDerWaalsContact O-CB 3.29Å; A598-R602 WeakPolarHBondContact O-CB 3.26Å; A598-R602 PolarHBondContact O-N 3.37Å; F599-R602 PolarHBondContact O-N 3.22Å; R602-S606 PolarHBondContact O-N 2.98Å; R602-R653 HydrophobicContact CG-CB 4.35Å; R602-R653 HydrophobicContact CG-CG 4.3Å; R602-N655 WeakPolarHBondContact CG-OD1 3.24Å; R602-N655 PolarHBondContact NE-OD1 3.42Å; R602-N655 PolarHBondContact NH2-OD1 2.77Å; R602-N655 PolarHBondContact O-ND2 3.2Å; R602-N655 VanDerWaalsContact O-ND2 3.14Å
603	L	95.8	Very high	95.1	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-78.1	-39.5	176.8	-70.7	-176.6	0	0	0	113	I537 D540 F569 N573 F599 R600 N601 N605 S606	I537-L603 HydrophobicContact CD1-CD1 4.34Å; I537-L603 HydrophobicContact CD1-CD2 3.82Å; D540-L603 HydrophobicContact CB-CD2 4.39Å; D540-L603 WeakPolarHBondContact OD2-CD2 3.27Å; F569-L603 HydrophobicContact CZ-CD1 4.25Å; N573-L603 WeakPolarHBondContact ND2-CD1 3.49Å; N573-L603 VanDerWaalsContact OD1-CD1 3.25Å; N573-L603 WeakPolarHBondContact OD1-CD1 2.99Å; F599-L603 HydrophobicContact CD1-CD1 4.16Å; F599-L603 HydrophobicContact CE1-CD1 3.43Å; F599-L603 VanDerWaalsContact CE1-CD1 3.43Å; F599-L603 HydrophobicContact CE1-CG 4.37Å; F599-L603 HydrophobicContact CE2-CD1 3.95Å; F599-L603 HydrophobicContact CE2-CG 4.29Å; F599-L603 HydrophobicContact CZ-CD1 3.32Å; F599-L603 HydrophobicContact CZ-CG 4.14Å; F599-L603 PolarHBondContact O-N 2.88Å; R600-L603 PolarHBondContact O-N 3.21Å; N601-L603 VanDerWaalsContact C-N 3.3Å; N601-L603 PolarHBondContact O-N 2.72Å; L603-N605 PolarHBondContact O-N 3.35Å; L603-S606 WeakPolarHBondContact O-CB 3.34Å; L603-S606 PolarHBondContact O-N 3Å; L603-S606 VanDerWaalsContact O-N 3.15Å
604	N	92.3	Very high	95.3	Very high	40 Å²	40	34.3 Å²	34.3	21%	0.214	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-32.8	175.8	-75.7	-14.8	0	0	0	112.4	Q574 R600 N601 S606	Q574-N604 WeakPolarHBondContact CG-OD1 3.22Å; Q574-N604 PolarHBondContact NE2-OD1 2.81Å; R600-N604 WeakPolarHBondContact O-CB 3.44Å; R600-N604 VanDerWaalsContact O-CG 3.32Å; R600-N604 PolarHBondContact O-N 2.97Å; N601-N604 PolarHBondContact O-N 3.17Å; N604-S606 VanDerWaalsContact C-N 3.3Å
605	N	96.2	Very high	95.6	Very high	35 Å²	35	33.7 Å²	33.7	19%	0.187	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	15.5	177.5	-57.9	-5.7	0	0	0	111.9	N601 L603 L607 P648 D651 L652 R653	N601-N605 VanDerWaalsContact O-CB 3.26Å; N601-N605 WeakPolarHBondContact O-CB 3.38Å; N601-N605 VanDerWaalsContact O-CG 3.23Å; N601-N605 PolarHBondContact O-N 2.83Å; L603-N605 PolarHBondContact O-N 3.35Å; N605-L607 PolarHBondContact O-N 2.85Å; N605-P648 HydrophobicContact CB-CG 3.96Å; N605-D651 WeakPolarHBondContact CB-O 3.06Å; N605-D651 WeakPolarHBondContact ND2-CB 3.27Å; N605-L652 CarbonylContact O-C 3.51Å; N605-L652 WeakPolarHBondContact O-CA 3.43Å; N605-R653 HydrophobicContact CB-CG 4.32Å; N605-R653 PolarHBondContact O-N 3.24Å
606	S	98.3	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-61.4	131.2	178	172.5	0	0	0	0	111.1	D540 R602 L603 N604 H608 F609 A610 R653	D540-S606 WeakPolarHBondContact OD1-CB 3.41Å; D540-S606 PolarHBondContact OD1-OG 2.87Å; R602-S606 PolarHBondContact O-N 2.98Å; L603-S606 WeakPolarHBondContact O-CB 3.34Å; L603-S606 PolarHBondContact O-N 3Å; L603-S606 VanDerWaalsContact O-N 3.15Å; N604-S606 VanDerWaalsContact C-N 3.3Å; S606-H608 PolarHBondContact O-N 2.85Å; S606-H608 PolarHBondContact OG-N 3.33Å; S606-H608 VanDerWaalsContact OG-N 3.1Å; S606-F609 PolarHBondContact O-N 2.89Å; S606-F609 PolarHBondContact OG-N 2.98Å; S606-A610 PolarHBondContact O-N 3.49Å; S606-A610 VanDerWaalsContact O-N 3.16Å; S606-R653 WeakPolarHBondContact CA-O 3.34Å
607	L	98.5	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-52	-46.4	168.1	168.6	64.6	0	0	0	110.2	N605 F609 A610 Q611 L652 R653 D654 L680 E683 L687	N605-L607 PolarHBondContact O-N 2.85Å; L607-F609 VanDerWaalsContact C-N 3.31Å; L607-F609 PolarHBondContact O-N 3.41Å; L607-A610 PolarHBondContact O-N 3.12Å; L607-Q611 HydrophobicContact CD1-CG 4.19Å; L607-Q611 HydrophobicContact CG-CG 4.49Å; L607-Q611 WeakPolarHBondContact O-CG 3.04Å; L607-Q611 PolarHBondContact O-N 2.66Å; L607-L652 HydrophobicContact CB-CD2 4.28Å; L607-L652 HydrophobicContact CB-CG 4.12Å; L607-L652 HydrophobicContact CD1-CD2 3.57Å; L607-L652 HydrophobicContact CD1-CG 4.33Å; L607-R653 PolarHBondContact N-O 3.15Å; L607-D654 HydrophobicContact CD2-CB 4.45Å; L607-L680 HydrophobicContact CD2-CD1 3.97Å; L607-E683 HydrophobicContact CD1-CB 4.12Å; L607-E683 HydrophobicContact CD2-CB 3.7Å; L607-E683 HydrophobicContact CD2-CG 4.16Å; L607-E683 HydrophobicContact CG-CB 4.47Å; L607-L687 HydrophobicContact CD1-CD2 4Å
608	H	98.4	Very high	96.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-37.1	-177.4	-172.9	43.8	0	0	0	111.7	H539 T547 S606 Q611 V612	H539-H608 PolarHBondContact O-CD2 3.1Å; H539-H608 PolarHBondContact O-NE2 3.43Å; T547-H608 PolarHBondContact OG1-CE1 3.15Å; S606-H608 PolarHBondContact O-N 2.85Å; S606-H608 PolarHBondContact OG-N 3.33Å; S606-H608 VanDerWaalsContact OG-N 3.1Å; H608-Q611 PolarHBondContact O-N 3.36Å; H608-V612 WeakPolarHBondContact CE1-CG2 3.18Å; H608-V612 WeakPolarHBondContact O-CB 3.32Å; H608-V612 VanDerWaalsContact O-CG2 3.31Å; H608-V612 WeakPolarHBondContact O-CG2 3.31Å; H608-V612 PolarHBondContact O-N 2.82Å
609	F	98.1	Very high	96.6	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-42.3	174.7	-177	-144	0	0	0	112.3	L567 F570 H571 S606 L607 R613	L567-F609 HydrophobicContact CD2-CD2 4.18Å; L567-F609 HydrophobicContact CD2-CE2 3.78Å; F570-F609 HydrophobicContact CB-CD1 4.46Å; F570-F609 HydrophobicContact CB-CD2 3.49Å; F570-F609 VanDerWaalsContact CB-CD2 3.49Å; F570-F609 HydrophobicContact CB-CE1 4.46Å; F570-F609 HydrophobicContact CB-CE2 3.48Å; F570-F609 VanDerWaalsContact CB-CE2 3.48Å; F570-F609 HydrophobicContact CB-CG 4.01Å; F570-F609 HydrophobicContact CB-CZ 4Å; F570-F609 HydrophobicContact CD1-CB 3.84Å; F570-F609 HydrophobicContact CD1-CD1 4.46Å; F570-F609 HydrophobicContact CD1-CD2 4.12Å; F570-F609 AromaticContact CD1-CG 3.9Å; F570-F609 HydrophobicContact CD1-CG 3.9Å; F570-F609 HydrophobicContact CD2-CB 3.87Å; F570-F609 AromaticContact CD2-CD2 3.32Å; F570-F609 HydrophobicContact CD2-CD2 3.32Å; F570-F609 HydrophobicContact CD2-CE2 4.11Å; F570-F609 AromaticContact CD2-CG 3.83Å; F570-F609 HydrophobicContact CD2-CG 3.83Å; F570-F609 HydrophobicContact CE1-CB 3.73Å; F570-F609 HydrophobicContact CE1-CG 4.32Å; F570-F609 HydrophobicContact CE2-CB 3.77Å; F570-F609 HydrophobicContact CE2-CD2 4.04Å; F570-F609 HydrophobicContact CE2-CG 4.26Å; F570-F609 HydrophobicContact CG-CB 3.92Å; F570-F609 HydrophobicContact CG-CD1 4.41Å; F570-F609 AromaticContact CG-CD2 3.38Å; F570-F609 HydrophobicContact CG-CD2 3.38Å; F570-F609 AromaticContact CG-CE2 3.95Å; F570-F609 HydrophobicContact CG-CE2 3.95Å; F570-F609 AromaticContact CG-CG 3.65Å; F570-F609 HydrophobicContact CG-CG 3.65Å; F570-F609 HydrophobicContact CZ-CB 3.7Å; F570-F609 HydrophobicContact CZ-CG 4.48Å; H571-F609 AromaticContact NE2-CZ 3.99Å; S606-F609 PolarHBondContact O-N 2.89Å; S606-F609 PolarHBondContact OG-N 2.98Å; L607-F609 VanDerWaalsContact C-N 3.31Å; L607-F609 PolarHBondContact O-N 3.41Å; F609-R613 HydrophobicContact CD2-CG 3.99Å; F609-R613 HydrophobicContact CE2-CG 3.65Å; F609-R613 HydrophobicContact CZ-CG 4.15Å; F609-R613 WeakPolarHBondContact O-CG 3.09Å; F609-R613 PolarHBondContact O-N 3.4Å
610	A	98.1	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-45.7	176.1	0	0	0	0	0	111.7	S606 L607 V612 R613 T614 I647 L652 L687	S606-A610 PolarHBondContact O-N 3.49Å; S606-A610 VanDerWaalsContact O-N 3.16Å; L607-A610 PolarHBondContact O-N 3.12Å; A610-V612 PolarHBondContact O-N 3.47Å; A610-R613 PolarHBondContact O-N 3.15Å; A610-T614 PolarHBondContact O-N 3.14Å; A610-T614 VanDerWaalsContact O-N 3.08Å; A610-T614 PolarHBondContact O-OG1 3.4Å; A610-I647 HydrophobicContact CB-CD1 4.48Å; A610-I647 HydrophobicContact CB-CG1 4.27Å; A610-I647 HydrophobicContact CB-CG2 4.11Å; A610-L652 HydrophobicContact CB-CD1 4.26Å; A610-L687 HydrophobicContact CB-CD1 4.49Å; A610-L687 HydrophobicContact CB-CD2 3.61Å
611	Q	98.3	Very high	96.9	Very high	22 Å²	22	23 Å²	23	10%	0.103	11%	0.107	C	C	.	.	H	α-helix	trans	-56.8	-51.6	175.4	-69.5	174.9	-35.9	0	0	112.1	L607 H608 R613 T614 E615 E683 L687	L607-Q611 HydrophobicContact CD1-CG 4.19Å; L607-Q611 HydrophobicContact CG-CG 4.49Å; L607-Q611 WeakPolarHBondContact O-CG 3.04Å; L607-Q611 PolarHBondContact O-N 2.66Å; H608-Q611 PolarHBondContact O-N 3.36Å; Q611-R613 VanDerWaalsContact C-N 3.32Å; Q611-R613 PolarHBondContact O-N 3.27Å; Q611-T614 PolarHBondContact O-N 3.2Å; Q611-E615 WeakPolarHBondContact O-CB 3.21Å; Q611-E615 WeakPolarHBondContact O-CG 3.29Å; Q611-E615 PolarHBondContact O-N 3.24Å; Q611-E683 PolarHBondContact NE2-OE2 3.14Å; Q611-L687 HydrophobicContact CG-CD1 4.12Å; Q611-L687 HydrophobicContact CG-CD2 4.4Å
612	V	97.9	Very high	97.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-38.5	-178.2	171	0	0	0	0	112.1	T547 C563 A566 L567 H608 A610 R616	T547-V612 HydrophobicContact CG2-CG2 3.95Å; C563-V612 HydrophobicContact CB-CG1 3.94Å; C563-V612 WeakPolarHBondContact O-CG1 3.46Å; A566-V612 HydrophobicContact CB-CB 4.45Å; A566-V612 HydrophobicContact CB-CG1 3.93Å; A566-V612 HydrophobicContact CB-CG2 3.95Å; L567-V612 HydrophobicContact CD1-CG1 4.38Å; L567-V612 HydrophobicContact CD2-CG1 3.76Å; L567-V612 HydrophobicContact CG-CG1 3.61Å; H608-V612 WeakPolarHBondContact CE1-CG2 3.18Å; H608-V612 WeakPolarHBondContact O-CB 3.32Å; H608-V612 VanDerWaalsContact O-CG2 3.31Å; H608-V612 WeakPolarHBondContact O-CG2 3.31Å; H608-V612 PolarHBondContact O-N 2.82Å; A610-V612 PolarHBondContact O-N 3.47Å; V612-R616 WeakPolarHBondContact O-CB 3.47Å; V612-R616 PolarHBondContact O-N 2.91Å
613	R	96.4	Very high	97.1	Very high	26 Å²	26	16.1 Å²	16.1	10%	0.098	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-51.6	175.3	-77.2	-175.9	-64.8	164.4	1.5	111	L567 F609 A610 Q611 R616 M617 D646	L567-R613 HydrophobicContact CD2-CG 3.67Å; F609-R613 HydrophobicContact CD2-CG 3.99Å; F609-R613 HydrophobicContact CE2-CG 3.65Å; F609-R613 HydrophobicContact CZ-CG 4.15Å; F609-R613 WeakPolarHBondContact O-CG 3.09Å; F609-R613 PolarHBondContact O-N 3.4Å; A610-R613 PolarHBondContact O-N 3.15Å; Q611-R613 VanDerWaalsContact C-N 3.32Å; Q611-R613 PolarHBondContact O-N 3.27Å; R613-R616 PolarHBondContact O-N 3.12Å; R613-M617 VanDerWaalsContact O-CG 3.31Å; R613-M617 WeakPolarHBondContact O-CG 3.37Å; R613-M617 PolarHBondContact O-N 3.21Å; R613-M617 VanDerWaalsContact O-N 3.1Å; R613-D646 IonicContact CZ-OD2 3.69Å; R613-D646 PolarHBondContact NH1-O 2.62Å; R613-D646 IonicContact NH1-OD1 3.75Å; R613-D646 PolarHBondContact NH1-OD1 3.34Å; R613-D646 IonicContact NH1-OD2 3.63Å; R613-D646 PolarHBondContact NH1-OD2 3.38Å; R613-D646 PolarHBondContact NH2-O 3.27Å
614	T	97.4	Very high	97	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-46.5	-179.6	-56.7	0	0	0	0	111.4	A610 Q611 M617 L618 R690 L694	A610-T614 PolarHBondContact O-N 3.14Å; A610-T614 VanDerWaalsContact O-N 3.08Å; A610-T614 PolarHBondContact O-OG1 3.4Å; Q611-T614 PolarHBondContact O-N 3.2Å; T614-M617 PolarHBondContact O-N 3.47Å; T614-L618 HydrophobicContact CG2-CD1 3.9Å; T614-L618 WeakPolarHBondContact O-CB 3.47Å; T614-L618 WeakPolarHBondContact O-CG 3.31Å; T614-L618 PolarHBondContact O-N 2.84Å; T614-R690 HydrophobicContact CG2-CB 4.06Å; T614-L694 HydrophobicContact CG2-CD2 4.23Å
615	E	97.4	Very high	97.2	Very high	9 Å²	9	18.2 Å²	18.2	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-70.1	-35.6	-179.4	-66	-46.3	118.3	0	0	112.9	Q611 M617 L618 L619 W686 R690	Q611-E615 WeakPolarHBondContact O-CB 3.21Å; Q611-E615 WeakPolarHBondContact O-CG 3.29Å; Q611-E615 PolarHBondContact O-N 3.24Å; E615-M617 PolarHBondContact O-N 2.9Å; E615-L618 PolarHBondContact O-N 3.3Å; E615-L619 VanDerWaalsContact O-CB 3.28Å; E615-L619 WeakPolarHBondContact O-CB 3.21Å; E615-L619 VanDerWaalsContact O-CG 3.24Å; E615-L619 WeakPolarHBondContact O-CG 3.43Å; E615-L619 PolarHBondContact O-N 3.48Å; E615-W686 VanDerWaalsContact CD-CH2 3.47Å; E615-W686 HydrophobicContact CG-CH2 4.27Å; E615-W686 HydrophobicContact CG-CZ3 4.48Å; E615-W686 WeakPolarHBondContact OE1-CH2 3.12Å; E615-W686 VanDerWaalsContact OE1-CZ3 3.31Å; E615-W686 WeakPolarHBondContact OE1-CZ3 3.16Å; E615-R690 IonicContact OE1-CZ 2.76Å; E615-R690 IonicContact OE1-NE 3.74Å; E615-R690 PolarHBondContact OE1-NE 3.35Å; E615-R690 VanDerWaalsContact OE1-NE 3.12Å; E615-R690 IonicContact OE1-NH2 2.71Å; E615-R690 IonicContact OE2-CZ 3.06Å; E615-R690 IonicContact OE2-NE 3.36Å; E615-R690 IonicContact OE2-NH2 3.85Å; E615-R690 PolarHBondContact OE2-NH2 2.79Å
616	R	97.6	Very high	97.1	Very high	30 Å²	30	18.3 Å²	18.3	11%	0.113	9%	0.089	C	C	.	.	H	α-helix	trans	-58.5	-49.1	171.7	179.6	67.9	-133	170.3	-7.2	111.2	S560 C563 L567 V612 R613 L619 D620	S560-R616 VanDerWaalsContact CB-NH1 3.26Å; S560-R616 PolarHBondContact O-NH1 3.06Å; S560-R616 VanDerWaalsContact O-NH1 3.16Å; S560-R616 PolarHBondContact OG-NH1 3.01Å; S560-R616 PolarHBondContact OG-NH2 2.97Å; C563-R616 HydrophobicContact CB-CB 4.17Å; L567-R616 HydrophobicContact CD1-CB 3.83Å; L567-R616 HydrophobicContact CD1-CG 3.67Å; V612-R616 WeakPolarHBondContact O-CB 3.47Å; V612-R616 PolarHBondContact O-N 2.91Å; R613-R616 PolarHBondContact O-N 3.12Å; R616-L619 PolarHBondContact O-N 3.04Å; R616-D620 IonicContact CZ-OD1 3.38Å; R616-D620 IonicContact CZ-OD2 2.69Å; R616-D620 IonicContact NE-OD1 3.45Å; R616-D620 PolarHBondContact NE-OD1 3.3Å; R616-D620 IonicContact NE-OD2 3.48Å; R616-D620 PolarHBondContact NE-OD2 2.96Å; R616-D620 IonicContact NH2-OD1 3.53Å; R616-D620 PolarHBondContact NH2-OD1 3.15Å; R616-D620 IonicContact NH2-OD2 2.65Å; R616-D620 PolarHBondContact O-N 3.43Å
617	M	97	Very high	96.8	Very high	38 Å²	38	20.3 Å²	20.3	19%	0.187	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-42.3	-179.1	-69.6	168.9	170.5	0	0	111.6	R613 T614 E615 D620 L621 M638 L640 L694	R613-M617 VanDerWaalsContact O-CG 3.31Å; R613-M617 WeakPolarHBondContact O-CG 3.37Å; R613-M617 PolarHBondContact O-N 3.21Å; R613-M617 VanDerWaalsContact O-N 3.1Å; T614-M617 PolarHBondContact O-N 3.47Å; E615-M617 PolarHBondContact O-N 2.9Å; M617-D620 PolarHBondContact O-N 3.31Å; M617-L621 VanDerWaalsContact O-CG 3.32Å; M617-L621 WeakPolarHBondContact O-CG 3.25Å; M617-L621 PolarHBondContact O-N 3.39Å; M617-M638 HydrophobicContact CB-SD 3.97Å; M617-M638 HydrophobicContact CG-SD 3.95Å; M617-L640 HydrophobicContact CB-CD1 4.42Å; M617-L640 HydrophobicContact CE-CD2 4.15Å; M617-L640 HydrophobicContact SD-CD1 4.21Å; M617-L640 HydrophobicContact SD-CD2 3.75Å; M617-L640 HydrophobicContact SD-CG 4.28Å; M617-L694 HydrophobicContact CB-CD1 4.09Å; M617-L694 HydrophobicContact CB-CD2 3.76Å; M617-L694 HydrophobicContact CG-CD2 4.44Å; M617-L694 HydrophobicContact SD-CD2 3.8Å
618	L	97.9	Very high	96.6	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.068	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-39	175.9	-74.5	170	0	0	0	112.1	T614 E615 L621 L622 R690 L694 I697	T614-L618 HydrophobicContact CG2-CD1 3.9Å; T614-L618 WeakPolarHBondContact O-CB 3.47Å; T614-L618 WeakPolarHBondContact O-CG 3.31Å; T614-L618 PolarHBondContact O-N 2.84Å; E615-L618 PolarHBondContact O-N 3.3Å; L618-L621 PolarHBondContact O-N 3.15Å; L618-L622 WeakPolarHBondContact O-CB 3.03Å; L618-L622 PolarHBondContact O-N 2.83Å; L618-R690 HydrophobicContact CD1-CB 4.35Å; L618-R690 VanDerWaalsContact CD1-CZ 3.46Å; L618-L694 HydrophobicContact CD1-CB 4.5Å; L618-L694 HydrophobicContact CD2-CB 3.92Å; L618-L694 HydrophobicContact CD2-CD1 3.81Å; L618-L694 HydrophobicContact CD2-CG 4.43Å; L618-L694 HydrophobicContact CG-CB 4.18Å; L618-L694 HydrophobicContact CG-CD1 4.09Å; L618-I697 HydrophobicContact CD2-CD1 4.23Å
619	L	97.5	Very high	96.3	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-44.3	174	-77	172.3	0	0	0	112.1	E551 Y556 A559 E615 R616 L621 L622 L623	E551-L619 HydrophobicContact CB-CD2 4.03Å; Y556-L619 HydrophobicContact CD1-CD2 3.87Å; A559-L619 HydrophobicContact CB-CD1 3.74Å; E615-L619 VanDerWaalsContact O-CB 3.28Å; E615-L619 WeakPolarHBondContact O-CB 3.21Å; E615-L619 VanDerWaalsContact O-CG 3.24Å; E615-L619 WeakPolarHBondContact O-CG 3.43Å; E615-L619 PolarHBondContact O-N 3.48Å; R616-L619 PolarHBondContact O-N 3.04Å; L619-L621 VanDerWaalsContact C-N 3.31Å; L619-L621 PolarHBondContact O-N 2.65Å; L619-L622 HydrophobicContact CD2-CD2 4.44Å; L619-L622 PolarHBondContact O-N 3.35Å; L619-L623 WeakPolarHBondContact O-CB 3.42Å; L619-L623 VanDerWaalsContact O-CG 3.25Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.31Å
620	D	96.3	Very high	96.1	Very high	39 Å²	39	28.6 Å²	28.6	21%	0.209	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-44.3	176	-77.9	-32.2	0	0	0	111.4	R616 M617 E624 M638	R616-D620 IonicContact CZ-OD1 3.38Å; R616-D620 IonicContact CZ-OD2 2.69Å; R616-D620 IonicContact NE-OD1 3.45Å; R616-D620 PolarHBondContact NE-OD1 3.3Å; R616-D620 IonicContact NE-OD2 3.48Å; R616-D620 PolarHBondContact NE-OD2 2.96Å; R616-D620 IonicContact NH2-OD1 3.53Å; R616-D620 PolarHBondContact NH2-OD1 3.15Å; R616-D620 IonicContact NH2-OD2 2.65Å; R616-D620 PolarHBondContact O-N 3.43Å; M617-D620 PolarHBondContact O-N 3.31Å; D620-E624 WeakPolarHBondContact O-CB 3.4Å; D620-E624 PolarHBondContact O-N 3.06Å; D620-E624 VanDerWaalsContact O-N 3.07Å; D620-M638 HydrophobicContact CB-SD 4.14Å
621	L	97.2	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-51.6	173.8	-68.5	176.2	0	0	0	111.5	M617 L618 L619 L623 A625 L631 I635 M638 L694 I697 W853 R963	M617-L621 VanDerWaalsContact O-CG 3.32Å; M617-L621 WeakPolarHBondContact O-CG 3.25Å; M617-L621 PolarHBondContact O-N 3.39Å; L618-L621 PolarHBondContact O-N 3.15Å; L619-L621 VanDerWaalsContact C-N 3.31Å; L619-L621 PolarHBondContact O-N 2.65Å; L621-L623 VanDerWaalsContact C-N 3.29Å; L621-L623 PolarHBondContact O-N 3.12Å; L621-A625 HydrophobicContact CB-CB 4.37Å; L621-A625 HydrophobicContact CD2-CB 3.83Å; L621-A625 WeakPolarHBondContact O-CB 3.4Å; L621-A625 PolarHBondContact O-N 3.3Å; L621-L631 HydrophobicContact CD2-CD1 3.72Å; L621-I635 HydrophobicContact CD1-CD1 3.98Å; L621-I635 HydrophobicContact CD2-CD1 3.82Å; L621-I635 HydrophobicContact CD2-CG1 4.28Å; L621-I635 HydrophobicContact CG-CD1 4.49Å; L621-M638 HydrophobicContact CD1-CE 4.18Å; L621-M638 HydrophobicContact CD2-CE 3.45Å; L621-M638 VanDerWaalsContact CD2-CE 3.45Å; L621-M638 HydrophobicContact CG-CE 3.63Å; L621-L694 HydrophobicContact CD1-CD1 3.54Å; L621-I697 HydrophobicContact CD1-CG2 4.13Å; L621-W853 HydrophobicContact CB-CH2 3.87Å; L621-W853 HydrophobicContact CB-CZ2 4.1Å; L621-W853 VanDerWaalsContact O-CZ2 3.26Å; L621-W853 WeakPolarHBondContact O-CZ2 3.41Å; L621-R963 PolarHBondContact O-NH2 3.28Å
622	L	96.2	Very high	95.7	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-56.9	-41.7	-176.9	-177.4	73.5	0	0	0	112.1	Y556 L618 L619 S849 L959 R963	Y556-L622 HydrophobicContact CD1-CD2 4.17Å; Y556-L622 HydrophobicContact CE1-CD2 3.68Å; L618-L622 WeakPolarHBondContact O-CB 3.03Å; L618-L622 PolarHBondContact O-N 2.83Å; L619-L622 HydrophobicContact CD2-CD2 4.44Å; L619-L622 PolarHBondContact O-N 3.35Å; L622-S849 WeakPolarHBondContact CD1-OG 3.42Å; L622-L959 HydrophobicContact CD1-CD2 4.45Å; L622-L959 HydrophobicContact CD2-CD2 4.16Å; L622-L959 HydrophobicContact CG-CD2 3.99Å; L622-R963 PolarHBondContact O-NH2 3.48Å
623	L	96.3	Very high	95.3	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	20%	0.201	S	C	.	.	H	α-helix	trans	-86.8	-31.3	-173.3	-64.4	172.7	0	0	0	113.6	Y556 L619 L621 I627 L959	Y556-L623 HydrophobicContact CD2-CD2 4.19Å; Y556-L623 HydrophobicContact CG-CD2 4.06Å; L619-L623 WeakPolarHBondContact O-CB 3.42Å; L619-L623 VanDerWaalsContact O-CG 3.25Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.31Å; L621-L623 VanDerWaalsContact C-N 3.29Å; L621-L623 PolarHBondContact O-N 3.12Å; L623-I627 WeakPolarHBondContact O-CD1 3.44Å; L623-L959 HydrophobicContact CD2-CD1 4.29Å; L623-L959 HydrophobicContact CD2-CD2 4.18Å
624	E	94.6	Very high	95.1	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-119.8	-36.1	-169.1	-54.6	-172.2	179.1	0	0	114.1	D620 N626 I627 S628 T629	D620-E624 WeakPolarHBondContact O-CB 3.4Å; D620-E624 PolarHBondContact O-N 3.06Å; D620-E624 VanDerWaalsContact O-N 3.07Å; E624-N626 PolarHBondContact O-N 3.41Å; E624-I627 PolarHBondContact O-N 3.12Å; E624-S628 PolarHBondContact O-N 3.15Å; E624-S628 PolarHBondContact O-OG 2.95Å; E624-T629 PolarHBondContact O-N 3.46Å
625	A	95.3	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-70.2	128.5	-170.5	0	0	0	0	0	112.4	L621 I627 T629 L631 W853 R963	L621-A625 HydrophobicContact CB-CB 4.37Å; L621-A625 HydrophobicContact CD2-CB 3.83Å; L621-A625 WeakPolarHBondContact O-CB 3.4Å; L621-A625 PolarHBondContact O-N 3.3Å; A625-I627 PolarHBondContact O-N 3.46Å; A625-T629 CarbonylContact C-O 3.55Å; A625-L631 HydrophobicContact CB-CD1 3.9Å; A625-W853 HydrophobicContact CB-CZ2 4.45Å; A625-W853 PolarHBondContact O-NE1 3.47Å; A625-R963 PolarHBondContact O-NH1 3.39Å; A625-R963 PolarHBondContact O-NH2 2.78Å
626	N	93.8	Very high	94.4	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.193	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	9	-167.8	-73	-6	0	0	0	115.9	E624 T629 L631 T966	E624-N626 PolarHBondContact O-N 3.41Å; N626-T629 VanDerWaalsContact CA-O 3.29Å; N626-T629 WeakPolarHBondContact CA-O 3.42Å; N626-T629 PolarHBondContact N-O 2.86Å; N626-L631 PolarHBondContact OD1-N 3.36Å; N626-T966 WeakPolarHBondContact O-CG2 3.27Å
627	I	93.8	Very high	93.7	Very high	43 Å²	43	45 Å²	45	22%	0.221	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-68.7	169.8	-66.1	168.1	0	0	0	109	L623 E624 A625 L959 K962 R963 T966	L623-I627 WeakPolarHBondContact O-CD1 3.44Å; E624-I627 PolarHBondContact O-N 3.12Å; A625-I627 PolarHBondContact O-N 3.46Å; I627-L959 HydrophobicContact CD1-CD1 3.77Å; I627-K962 HydrophobicContact CD1-CB 4.36Å; I627-K962 HydrophobicContact CG2-CB 4.18Å; I627-K962 HydrophobicContact CG2-CD 4.41Å; I627-R963 HydrophobicContact CD1-CG 4.25Å; I627-R963 VanDerWaalsContact CD1-CZ 3.47Å; I627-T966 HydrophobicContact CG1-CG2 4.16Å
628	S	92.8	Very high	93.2	Very high	90 Å²	90	44.9 Å²	44.9	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-35.5	179.2	45.3	0	0	0	0	112	E624	E624-S628 PolarHBondContact O-N 3.15Å; E624-S628 PolarHBondContact O-OG 2.95Å
629	T	92.9	Very high	92.6	Very high	38 Å²	38	51 Å²	51	23%	0.233	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-122.4	149.9	-174.8	-52.3	0	0	0	0	109.4	E624 A625 N626 E633	E624-T629 PolarHBondContact O-N 3.46Å; A625-T629 CarbonylContact C-O 3.55Å; N626-T629 VanDerWaalsContact CA-O 3.29Å; N626-T629 WeakPolarHBondContact CA-O 3.42Å; N626-T629 PolarHBondContact N-O 2.86Å; T629-E633 HydrophobicContact CG2-CB 3.77Å; T629-E633 HydrophobicContact CG2-CG 3.68Å
630	S	93.7	Very high	92.2	Very high	55 Å²	55	52.2 Å²	52.2	39%	0.385	29%	0.293	S	S	.	.			trans	-69.4	149.5	174.5	72.3	0	0	0	0	111.2	A632 E633 S634	S630-A632 PolarHBondContact O-N 3.27Å; S630-E633 PolarHBondContact O-N 3.4Å; S630-E633 VanDerWaalsContact O-N 3.14Å; S630-E633 VanDerWaalsContact OG-CB 3.25Å; S630-E633 WeakPolarHBondContact OG-CB 3.39Å; S630-E633 PolarHBondContact OG-N 3.38Å; S630-S634 PolarHBondContact O-N 3.01Å; S630-S634 PolarHBondContact O-OG 3.32Å
631	L	94.6	Very high	91.7	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-54.6	-41	175.8	-179.9	62.9	0	0	0	112.1	L621 A625 N626 E633 S634 I635 I697 L700 P701 W853	L621-L631 HydrophobicContact CD2-CD1 3.72Å; A625-L631 HydrophobicContact CB-CD1 3.9Å; N626-L631 PolarHBondContact OD1-N 3.36Å; L631-E633 PolarHBondContact O-N 3.33Å; L631-S634 PolarHBondContact O-N 3.43Å; L631-I635 HydrophobicContact CD1-CG1 4.05Å; L631-I635 HydrophobicContact CG-CG1 4.35Å; L631-I635 WeakPolarHBondContact O-CB 3.26Å; L631-I635 VanDerWaalsContact O-CG1 3.25Å; L631-I635 WeakPolarHBondContact O-CG1 3.39Å; L631-I635 PolarHBondContact O-N 2.92Å; L631-I697 HydrophobicContact CD1-CG2 4.25Å; L631-L700 HydrophobicContact CD2-CB 4.23Å; L631-L700 HydrophobicContact CD2-CD1 4.26Å; L631-P701 HydrophobicContact CB-CG 4.42Å; L631-P701 HydrophobicContact CD2-CG 3.99Å; L631-P701 HydrophobicContact CG-CG 3.79Å; L631-W853 HydrophobicContact CD2-CB 4.03Å; L631-W853 HydrophobicContact CD2-CG 4.13Å
632	A	92.3	Very high	91.4	Very high	51 Å²	51	57.1 Å²	57.1	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-44.3	178.2	0	0	0	0	0	112.7	S630 K636 P701	S630-A632 PolarHBondContact O-N 3.27Å; A632-K636 WeakPolarHBondContact O-CB 3.3Å; A632-K636 PolarHBondContact O-N 3.28Å; A632-P701 HydrophobicContact CB-CB 3.75Å; A632-P701 HydrophobicContact CB-CG 4.34Å
633	E	90.8	Very high	91	Very high	122 Å²	122	61.3 Å²	61.3	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-70.9	-41.1	-179.2	-178.4	176.3	-169.7	0	0	111.8	T629 S630 L631 K636 S637	T629-E633 HydrophobicContact CG2-CB 3.77Å; T629-E633 HydrophobicContact CG2-CG 3.68Å; S630-E633 PolarHBondContact O-N 3.4Å; S630-E633 VanDerWaalsContact O-N 3.14Å; S630-E633 VanDerWaalsContact OG-CB 3.25Å; S630-E633 WeakPolarHBondContact OG-CB 3.39Å; S630-E633 PolarHBondContact OG-N 3.38Å; L631-E633 PolarHBondContact O-N 3.33Å; E633-K636 PolarHBondContact O-N 2.86Å; E633-S637 WeakPolarHBondContact O-CB 3.38Å; E633-S637 PolarHBondContact O-N 3.36Å
634	S	91.6	Very high	90.6	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-47.2	173.3	-64.3	0	0	0	0	111.8	S630 L631 K636 S637 M638	S630-S634 PolarHBondContact O-N 3.01Å; S630-S634 PolarHBondContact O-OG 3.32Å; L631-S634 PolarHBondContact O-N 3.43Å; S634-K636 PolarHBondContact O-N 3.27Å; S634-S637 PolarHBondContact O-N 3Å; S634-M638 WeakPolarHBondContact O-CE 3.19Å; S634-M638 WeakPolarHBondContact O-CG 3.31Å; S634-M638 PolarHBondContact O-N 2.89Å
635	I	92.1	Very high	90.2	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.9	-69.8	-63.2	0	0	0	111.4	L621 L631 S637 M638 N639 L640 P701	L621-I635 HydrophobicContact CD1-CD1 3.98Å; L621-I635 HydrophobicContact CD2-CD1 3.82Å; L621-I635 HydrophobicContact CD2-CG1 4.28Å; L621-I635 HydrophobicContact CG-CD1 4.49Å; L631-I635 HydrophobicContact CD1-CG1 4.05Å; L631-I635 HydrophobicContact CG-CG1 4.35Å; L631-I635 WeakPolarHBondContact O-CB 3.26Å; L631-I635 VanDerWaalsContact O-CG1 3.25Å; L631-I635 WeakPolarHBondContact O-CG1 3.39Å; L631-I635 PolarHBondContact O-N 2.92Å; I635-S637 VanDerWaalsContact C-N 3.35Å; I635-S637 PolarHBondContact O-N 3.49Å; I635-M638 HydrophobicContact CD1-CE 4.05Å; I635-M638 PolarHBondContact O-N 2.91Å; I635-N639 PolarHBondContact O-N 3.06Å; I635-L640 HydrophobicContact CD1-CB 4.31Å; I635-L640 HydrophobicContact CD1-CD1 3.9Å; I635-L640 HydrophobicContact CG2-CB 4.09Å; I635-L640 PolarHBondContact O-N 3.02Å; I635-P701 HydrophobicContact CG1-CG 4.44Å
636	K	87.7	Confident	89.8	Confident	131 Å²	131	67.3 Å²	67.3	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-61.8	-42.6	176.8	-168.9	-176.9	177.6	-160.8	0	111.5	E62 A632 E633 S634 M638 N639	E62-K636 VanDerWaalsContact OE1-CE 3.27Å; E62-K636 WeakPolarHBondContact OE1-CE 3.38Å; E62-K636 IonicContact OE1-NZ 2.74Å; E62-K636 PolarHBondContact OE1-NZ 3.4Å; E62-K636 IonicContact OE2-NZ 3.52Å; A632-K636 WeakPolarHBondContact O-CB 3.3Å; A632-K636 PolarHBondContact O-N 3.28Å; E633-K636 PolarHBondContact O-N 2.86Å; S634-K636 PolarHBondContact O-N 3.27Å; K636-M638 PolarHBondContact O-N 3.19Å; K636-N639 PolarHBondContact O-N 3.24Å; K636-N639 VanDerWaalsContact O-N 3.17Å
637	S	83.9	Confident	89.8	Confident	101 Å²	101	66.1 Å²	66.1	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-29.7	179	-173.5	0	0	0	0	113	E633 S634 I635	E633-S637 WeakPolarHBondContact O-CB 3.38Å; E633-S637 PolarHBondContact O-N 3.36Å; S634-S637 PolarHBondContact O-N 3Å; I635-S637 VanDerWaalsContact C-N 3.35Å; I635-S637 PolarHBondContact O-N 3.49Å
638	M	86.1	Confident	89.7	Confident	36 Å²	36	65.7 Å²	65.7	18%	0.177	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.4	178.3	-65	-174.6	-73	0	0	113.7	M617 D620 L621 S634 I635 K636 L640	M617-M638 HydrophobicContact CB-SD 3.97Å; M617-M638 HydrophobicContact CG-SD 3.95Å; D620-M638 HydrophobicContact CB-SD 4.14Å; L621-M638 HydrophobicContact CD1-CE 4.18Å; L621-M638 HydrophobicContact CD2-CE 3.45Å; L621-M638 VanDerWaalsContact CD2-CE 3.45Å; L621-M638 HydrophobicContact CG-CE 3.63Å; S634-M638 WeakPolarHBondContact O-CE 3.19Å; S634-M638 WeakPolarHBondContact O-CG 3.31Å; S634-M638 PolarHBondContact O-N 2.89Å; I635-M638 HydrophobicContact CD1-CE 4.05Å; I635-M638 PolarHBondContact O-N 2.91Å; K636-M638 PolarHBondContact O-N 3.19Å; M638-L640 HydrophobicContact CB-CD1 4.16Å; M638-L640 HydrophobicContact CB-CG 4.04Å; M638-L640 HydrophobicContact CE-CD1 3.8Å; M638-L640 PolarHBondContact O-N 3.08Å; M638-L640 HydrophobicContact SD-CD1 4.27Å
639	N	85.6	Confident	89.8	Confident	140 Å²	140	64.6 Å²	64.6	75%	0.749	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.6	-172.9	-58.7	-69.8	0	0	0	114	I635 K636	I635-N639 PolarHBondContact O-N 3.06Å; K636-N639 PolarHBondContact O-N 3.24Å; K636-N639 VanDerWaalsContact O-N 3.17Å
640	L	87.9	Confident	89.8	Confident	31 Å²	31	71.8 Å²	71.8	16%	0.162	37%	0.367	C	S	.	.			trans	-82.3	137.4	179	-77.5	174.9	0	0	0	112	M617 I635 M638 L694	M617-L640 HydrophobicContact CB-CD1 4.42Å; M617-L640 HydrophobicContact CE-CD2 4.15Å; M617-L640 HydrophobicContact SD-CD1 4.21Å; M617-L640 HydrophobicContact SD-CD2 3.75Å; M617-L640 HydrophobicContact SD-CG 4.28Å; I635-L640 HydrophobicContact CD1-CB 4.31Å; I635-L640 HydrophobicContact CD1-CD1 3.9Å; I635-L640 HydrophobicContact CG2-CB 4.09Å; I635-L640 PolarHBondContact O-N 3.02Å; M638-L640 HydrophobicContact CB-CD1 4.16Å; M638-L640 HydrophobicContact CB-CG 4.04Å; M638-L640 HydrophobicContact CE-CD1 3.8Å; M638-L640 PolarHBondContact O-N 3.08Å; M638-L640 HydrophobicContact SD-CD1 4.27Å; L640-L694 HydrophobicContact CD1-CD1 3.77Å; L640-L694 HydrophobicContact CD1-CD2 4.34Å; L640-L694 HydrophobicContact CD1-CG 4.15Å; L640-L694 HydrophobicContact CD2-CD2 4.4Å
641	R	86.9	Confident	89.8	Confident	133 Å²	133	73.2 Å²	73.2	50%	0.502	37%	0.371	S	S	.	.			trans	-135.3	141.4	172.8	-65.9	178.9	-179.7	179.6	-2.7	109.9	E643 E644	R641-E643 VanDerWaalsContact C-N 3.28Å; R641-E643 HydrophobicContact CB-CG 4.3Å; R641-E643 PolarHBondContact O-N 3.44Å; R641-E644 HydrophobicContact CB-CB 4.42Å; R641-E644 WeakPolarHBondContact CD-OE1 3.47Å; R641-E644 IonicContact CZ-OE1 2.71Å; R641-E644 IonicContact NE-OE1 2.98Å; R641-E644 IonicContact NH1-OE1 3.26Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å
642	P	90.1	Very high	89.9	Confident	10 Å²	10	73.5 Å²	73.5	7%	0.065	37%	0.372	C	S	.	.	S	Bend	trans	-66.9	-28.8	-180	24.9	-31.3	0	0	0	112.5	R695 I726 L727 L730	P642-R695 PolarHBondContact O-NE 2.87Å; P642-R695 PolarHBondContact O-NH2 3.41Å; P642-I726 HydrophobicContact CB-CG2 4.48Å; P642-L727 HydrophobicContact CB-CD2 3.66Å; P642-L727 HydrophobicContact CG-CD2 4.21Å; P642-L730 HydrophobicContact CB-CD1 4.06Å; P642-L730 WeakPolarHBondContact O-CD1 3.29Å
643	E	88.8	Confident	90.1	Very high	97 Å²	97	77 Å²	77	45%	0.453	38%	0.375	S	S	.	.	S	Bend	trans	-77.4	-25.4	-179.2	55.9	-92.6	-154	0	0	115.3	R641 R695 I726	R641-E643 VanDerWaalsContact C-N 3.28Å; R641-E643 HydrophobicContact CB-CG 4.3Å; R641-E643 PolarHBondContact O-N 3.44Å; E643-R695 PolarHBondContact O-NH2 3.38Å; E643-I726 HydrophobicContact CB-CD1 4.29Å; E643-I726 HydrophobicContact CB-CG2 4.46Å
644	E	87.2	Confident	90.4	Very high	110 Å²	110	73 Å²	73	51%	0.514	36%	0.357	S	S	.	.			trans	-103.4	141.2	-172.8	-70.7	168.6	-148.1	0	0	111	R641	R641-E644 HydrophobicContact CB-CB 4.42Å; R641-E644 WeakPolarHBondContact CD-OE1 3.47Å; R641-E644 IonicContact CZ-OE1 2.71Å; R641-E644 IonicContact NE-OE1 2.98Å; R641-E644 IonicContact NH1-OE1 3.26Å; R641-E644 PolarHBondContact NH1-OE1 2.87Å
645	D	86.8	Confident	90.7	Very high	52 Å²	52	73 Å²	73	28%	0.278	36%	0.356	S	S	.	.			trans	-139.2	125.4	176	-168.5	-9.4	0	0	0	108.9	I647 W649 R695	D645-I647 WeakPolarHBondContact OD1-CB 3.12Å; D645-I647 WeakPolarHBondContact OD1-CG1 3.41Å; D645-I647 PolarHBondContact OD1-N 3.43Å; D645-I647 VanDerWaalsContact OD1-N 3.09Å; D645-W649 PolarHBondContact OD2-NE1 2.91Å; D645-R695 IonicContact OD2-NH1 2.96Å; D645-R695 PolarHBondContact OD2-NH1 3.49Å
646	D	87.1	Confident	91	Very high	103 Å²	103	73.2 Å²	73.2	55%	0.551	36%	0.356	S	S	*	.			trans	-102.2	17.8	-176.9	70.2	-19.8	0	0	0	112.2	R613	R613-D646 IonicContact CZ-OD2 3.69Å; R613-D646 PolarHBondContact NH1-O 2.62Å; R613-D646 IonicContact NH1-OD1 3.75Å; R613-D646 PolarHBondContact NH1-OD1 3.34Å; R613-D646 IonicContact NH1-OD2 3.63Å; R613-D646 PolarHBondContact NH1-OD2 3.38Å; R613-D646 PolarHBondContact NH2-O 3.27Å
647	I	93.8	Very high	91.5	Very high	12 Å²	12	69.9 Å²	69.9	6%	0.062	34%	0.344	C	S	.	.			trans	-92.1	124.7	174	-60.3	175.8	0	0	0	110.3	A610 D645 W649 L652 L687	A610-I647 HydrophobicContact CB-CD1 4.48Å; A610-I647 HydrophobicContact CB-CG1 4.27Å; A610-I647 HydrophobicContact CB-CG2 4.11Å; D645-I647 WeakPolarHBondContact OD1-CB 3.12Å; D645-I647 WeakPolarHBondContact OD1-CG1 3.41Å; D645-I647 PolarHBondContact OD1-N 3.43Å; D645-I647 VanDerWaalsContact OD1-N 3.09Å; I647-W649 VanDerWaalsContact C-N 3.32Å; I647-W649 HydrophobicContact CB-CD2 4.4Å; I647-W649 HydrophobicContact CB-CZ2 4.04Å; I647-W649 HydrophobicContact CD1-CH2 3.98Å; I647-W649 HydrophobicContact CD1-CZ2 3.77Å; I647-W649 HydrophobicContact CG1-CZ2 4.49Å; I647-W649 HydrophobicContact CG2-CD2 3.81Å; I647-W649 HydrophobicContact CG2-CE3 3.97Å; I647-W649 HydrophobicContact CG2-CG 4.36Å; I647-W649 HydrophobicContact CG2-CH2 4.03Å; I647-W649 HydrophobicContact CG2-CZ2 3.91Å; I647-W649 HydrophobicContact CG2-CZ3 4.09Å; I647-W649 PolarHBondContact O-N 2.85Å; I647-L652 HydrophobicContact CG2-CD1 4.33Å; I647-L687 HydrophobicContact CD1-CD1 4.36Å; I647-L687 HydrophobicContact CD1-CG 4.43Å; I647-L687 HydrophobicContact CG2-CD2 4.47Å
648	P	91	Very high	92.1	Very high	33 Å²	33	65.5 Å²	65.5	21%	0.214	31%	0.313	C	S	.	.			trans	-80.5	77.3	177	32.5	-33.2	0	0	0	110.8	N605 E650 D651 L652	N605-P648 HydrophobicContact CB-CG 3.96Å; P648-E650 PolarHBondContact O-N 3.37Å; P648-E650 VanDerWaalsContact O-N 3.12Å; P648-D651 PolarHBondContact O-N 2.99Å; P648-L652 HydrophobicContact CG-CD1 4.34Å; P648-L652 PolarHBondContact O-N 3.39Å
649	W	95.3	Very high	92.5	Very high	67 Å²	67	68.5 Å²	68.5	25%	0.254	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.7	-173.8	-68.8	111.8	0	0	0	115.1	D645 I647 T684 L687 R688	D645-W649 PolarHBondContact OD2-NE1 2.91Å; I647-W649 VanDerWaalsContact C-N 3.32Å; I647-W649 HydrophobicContact CB-CD2 4.4Å; I647-W649 HydrophobicContact CB-CZ2 4.04Å; I647-W649 HydrophobicContact CD1-CH2 3.98Å; I647-W649 HydrophobicContact CD1-CZ2 3.77Å; I647-W649 HydrophobicContact CG1-CZ2 4.49Å; I647-W649 HydrophobicContact CG2-CD2 3.81Å; I647-W649 HydrophobicContact CG2-CE3 3.97Å; I647-W649 HydrophobicContact CG2-CG 4.36Å; I647-W649 HydrophobicContact CG2-CH2 4.03Å; I647-W649 HydrophobicContact CG2-CZ2 3.91Å; I647-W649 HydrophobicContact CG2-CZ3 4.09Å; I647-W649 PolarHBondContact O-N 2.85Å; W649-T684 HydrophobicContact CE3-CG2 4.29Å; W649-T684 HydrophobicContact CZ3-CG2 4.31Å; W649-L687 HydrophobicContact CH2-CD2 4.36Å; W649-L687 HydrophobicContact CH2-CG 3.95Å; W649-L687 HydrophobicContact CZ3-CD2 4.19Å; W649-L687 HydrophobicContact CZ3-CG 4.14Å; W649-R688 HydrophobicContact CH2-CB 3.76Å; W649-R688 HydrophobicContact CH2-CG 4.21Å; W649-R688 HydrophobicContact CZ2-CB 4.5Å; W649-R688 HydrophobicContact CZ2-CG 4.49Å; W649-R688 HydrophobicContact CZ3-CB 3.87Å; W649-R688 HydrophobicContact CZ3-CG 4.47Å
650	E	93.2	Very high	93.1	Very high	189 Å²	189	63.1 Å²	63.1	88%	0.883	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-30.5	-177.5	-62.4	-176.4	170.2	0	0	113.2	P648	P648-E650 PolarHBondContact O-N 3.37Å; P648-E650 VanDerWaalsContact O-N 3.12Å
651	D	93.4	Very high	93.5	Very high	85 Å²	85	62.1 Å²	62.1	46%	0.455	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	14.4	-171.9	-76	-54	0	0	0	113.6	N605 P648 R653	N605-D651 WeakPolarHBondContact CB-O 3.06Å; N605-D651 WeakPolarHBondContact ND2-CB 3.27Å; P648-D651 PolarHBondContact O-N 2.99Å; D651-R653 WeakPolarHBondContact O-CG 3.48Å; D651-R653 PolarHBondContact O-N 2.98Å
652	L	96.4	Very high	94	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	29%	0.29	C	S	.	.			trans	-57.6	130.4	-175.1	-150.1	67.9	0	0	0	111.1	N605 L607 A610 I647 P648 T684 L687	N605-L652 CarbonylContact O-C 3.51Å; N605-L652 WeakPolarHBondContact O-CA 3.43Å; L607-L652 HydrophobicContact CB-CD2 4.28Å; L607-L652 HydrophobicContact CB-CG 4.12Å; L607-L652 HydrophobicContact CD1-CD2 3.57Å; L607-L652 HydrophobicContact CD1-CG 4.33Å; A610-L652 HydrophobicContact CB-CD1 4.26Å; I647-L652 HydrophobicContact CG2-CD1 4.33Å; P648-L652 HydrophobicContact CG-CD1 4.34Å; P648-L652 PolarHBondContact O-N 3.39Å; L652-T684 HydrophobicContact CD2-CG2 4.42Å; L652-L687 HydrophobicContact CD2-CD2 4.17Å
653	R	96.5	Very high	94.3	Very high	125 Å²	125	60.1 Å²	60.1	47%	0.472	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-113.2	119.2	-176.8	-62.8	-56.7	178.8	-174.2	-6.5	110.8	R602 N605 S606 L607 D651 N655	R602-R653 HydrophobicContact CG-CB 4.35Å; R602-R653 HydrophobicContact CG-CG 4.3Å; N605-R653 HydrophobicContact CB-CG 4.32Å; N605-R653 PolarHBondContact O-N 3.24Å; S606-R653 WeakPolarHBondContact CA-O 3.34Å; L607-R653 PolarHBondContact N-O 3.15Å; D651-R653 WeakPolarHBondContact O-CG 3.48Å; D651-R653 PolarHBondContact O-N 2.98Å; R653-N655 PolarHBondContact O-N 3.31Å
654	D	97.5	Very high	94.7	Very high	37 Å²	37	56 Å²	56	20%	0.198	27%	0.273	C	S	.	.			trans	-80.2	105.8	166.2	-162.8	-8.1	0	0	0	109.9	L607 R656 L680	L607-D654 HydrophobicContact CD2-CB 4.45Å; D654-R656 VanDerWaalsContact OD1-CB 3.3Å; D654-R656 WeakPolarHBondContact OD1-CB 3.37Å; D654-R656 VanDerWaalsContact OD1-CG 3.24Å; D654-R656 WeakPolarHBondContact OD1-CG 3.24Å; D654-R656 IonicContact OD1-CZ 3.06Å; D654-R656 PolarHBondContact OD1-N 3.12Å; D654-R656 VanDerWaalsContact OD1-N 3.11Å; D654-R656 IonicContact OD1-NE 3.93Å; D654-R656 PolarHBondContact OD1-NE 3.34Å; D654-R656 IonicContact OD1-NH2 3.23Å; D654-R656 IonicContact OD2-CZ 3.6Å; D654-R656 IonicContact OD2-NE 2.82Å; D654-R656 PolarHBondContact OD2-NE 3.21Å; D654-R656 IonicContact OD2-NH2 2.71Å; D654-R656 PolarHBondContact OD2-NH2 3.49Å; D654-L680 HydrophobicContact CB-CD1 4.14Å; D654-L680 HydrophobicContact CB-CD2 4.32Å
655	N	97.5	Very high	95.1	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.064	25%	0.252	C	S	.	.			trans	-103.6	3.7	178	-59.9	-30.4	0	0	0	112.4	D540 T541 R602 R653 D657	D540-N655 WeakPolarHBondContact OD2-CB 3.27Å; D540-N655 PolarHBondContact OD2-ND2 3.23Å; T541-N655 WeakPolarHBondContact CG2-O 3.47Å; R602-N655 WeakPolarHBondContact CG-OD1 3.24Å; R602-N655 PolarHBondContact NE-OD1 3.42Å; R602-N655 PolarHBondContact NH2-OD1 2.77Å; R602-N655 PolarHBondContact O-ND2 3.2Å; R602-N655 VanDerWaalsContact O-ND2 3.14Å; R653-N655 PolarHBondContact O-N 3.31Å; N655-D657 PolarHBondContact O-N 3.12Å
656	R	97.9	Very high	95.4	Very high	16 Å²	16	49.7 Å²	49.7	6%	0.06	24%	0.243	C	C	.	.			trans	-60.7	137.3	-179.2	-62.5	175.5	-62.2	166.8	4	109.6	Y544 D654 L658 S679 E683	Y544-R656 HydrophobicContact CD1-CB 3.83Å; Y544-R656 HydrophobicContact CD1-CG 3.76Å; Y544-R656 HydrophobicContact CE1-CB 3.94Å; Y544-R656 HydrophobicContact CE1-CG 4.37Å; Y544-R656 HydrophobicContact CG-CB 4.32Å; Y544-R656 HydrophobicContact CG-CG 3.86Å; D654-R656 VanDerWaalsContact OD1-CB 3.3Å; D654-R656 WeakPolarHBondContact OD1-CB 3.37Å; D654-R656 VanDerWaalsContact OD1-CG 3.24Å; D654-R656 WeakPolarHBondContact OD1-CG 3.24Å; D654-R656 IonicContact OD1-CZ 3.06Å; D654-R656 PolarHBondContact OD1-N 3.12Å; D654-R656 VanDerWaalsContact OD1-N 3.11Å; D654-R656 IonicContact OD1-NE 3.93Å; D654-R656 PolarHBondContact OD1-NE 3.34Å; D654-R656 IonicContact OD1-NH2 3.23Å; D654-R656 IonicContact OD2-CZ 3.6Å; D654-R656 IonicContact OD2-NE 2.82Å; D654-R656 PolarHBondContact OD2-NE 3.21Å; D654-R656 IonicContact OD2-NH2 2.71Å; D654-R656 PolarHBondContact OD2-NH2 3.49Å; R656-L658 HydrophobicContact CB-CD2 4.17Å; R656-L658 HydrophobicContact CB-CG 4.44Å; R656-L658 PolarHBondContact O-N 3.07Å; R656-S679 PolarHBondContact NH2-OG 3.12Å; R656-E683 IonicContact CZ-OE1 2.78Å; R656-E683 IonicContact NH1-OE1 3.26Å; R656-E683 PolarHBondContact NH1-OE1 3.25Å
657	D	97.8	Very high	95.3	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	26%	0.256	S	S	.	.			trans	-81.9	98.7	172.6	-168.9	-7.3	0	0	0	109.1	T541 I542 Y544 N655 N659 V660	T541-D657 PolarHBondContact O-N 3.29Å; I542-D657 HydrophobicContact CD1-CB 3.85Å; Y544-D657 PolarHBondContact OH-O 2.77Å; N655-D657 PolarHBondContact O-N 3.12Å; D657-N659 VanDerWaalsContact C-N 3.27Å; D657-N659 WeakPolarHBondContact OD1-CA 3.19Å; D657-N659 PolarHBondContact OD1-N 2.92Å; D657-V660 HydrophobicContact CB-CB 4.29Å; D657-V660 PolarHBondContact OD1-N 3.47Å
658	L	96.6	Very high	94.7	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.052	29%	0.287	C	S	.	.	S	Bend	trans	-87.8	3.3	176.8	-57.5	-179.2	0	0	0	112.5	R656 K676 P756	R656-L658 HydrophobicContact CB-CD2 4.17Å; R656-L658 HydrophobicContact CB-CG 4.44Å; R656-L658 PolarHBondContact O-N 3.07Å; L658-K676 HydrophobicContact CD1-CB 4.34Å; L658-K676 HydrophobicContact CD1-CG 3.88Å; L658-P756 HydrophobicContact CD1-CB 4.29Å; L658-P756 HydrophobicContact CD2-CB 4.29Å
659	N	96.1	Very high	94.4	Very high	99 Å²	99	62.2 Å²	62.2	53%	0.529	29%	0.293	S	S	.	.	S	Bend	trans	-120.8	8.3	-180	-64.6	-31.5	0	0	0	112.6	D657 F661	D657-N659 VanDerWaalsContact C-N 3.27Å; D657-N659 WeakPolarHBondContact OD1-CA 3.19Å; D657-N659 PolarHBondContact OD1-N 2.92Å; N659-F661 PolarHBondContact O-N 3.28Å
660	V	96.9	Very high	94	Very high	27 Å²	27	60.6 Å²	60.6	16%	0.164	29%	0.289	C	S	.	.			trans	-63.5	-31.2	179.2	69.3	0	0	0	0	112.2	Q507 L510 I542 D657	Q507-V660 PolarHBondContact NE2-O 3.46Å; L510-V660 HydrophobicContact CD1-CG1 4.27Å; L510-V660 HydrophobicContact CD1-CG2 3.67Å; I542-V660 HydrophobicContact CD1-CB 3.73Å; I542-V660 HydrophobicContact CD1-CG1 3.78Å; I542-V660 HydrophobicContact CD1-CG2 3.64Å; D657-V660 HydrophobicContact CB-CB 4.29Å; D657-V660 PolarHBondContact OD1-N 3.47Å
661	F	97.5	Very high	93.9	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.044	25%	0.253	C	S	.	.	S	Bend	trans	-76.9	129.7	176.3	-64.6	-85.1	0	0	0	110	L510 L511 R514 L545 N659 S663 L754	L510-F661 HydrophobicContact CB-CD1 4.15Å; L510-F661 HydrophobicContact CB-CE1 3.58Å; L510-F661 HydrophobicContact CB-CZ 4.13Å; L510-F661 WeakPolarHBondContact O-CE1 3.41Å; L511-F661 HydrophobicContact CD2-CD1 3.9Å; L511-F661 HydrophobicContact CD2-CE1 4.17Å; L511-F661 HydrophobicContact CG-CD1 4.4Å; R514-F661 HydrophobicContact CB-CE1 4.35Å; R514-F661 HydrophobicContact CB-CZ 4.33Å; L545-F661 HydrophobicContact CD1-CZ 4.23Å; L545-F661 HydrophobicContact CD2-CZ 4.44Å; N659-F661 PolarHBondContact O-N 3.28Å; F661-S663 PolarHBondContact O-N 3.38Å; F661-L754 HydrophobicContact CB-CB 3.99Å; F661-L754 HydrophobicContact CB-CD1 4.26Å; F661-L754 HydrophobicContact CB-CD2 4.03Å; F661-L754 HydrophobicContact CB-CG 4.31Å; F661-L754 HydrophobicContact CD1-CD2 4.06Å; F661-L754 HydrophobicContact CG-CB 4.42Å; F661-L754 HydrophobicContact CG-CD2 4.13Å
662	F	97.4	Very high	94	Very high	85 Å²	85	50.7 Å²	50.7	37%	0.373	25%	0.246	S	C	.	.			trans	-69.6	119.9	174.2	-68.9	-6.7	0	0	0	110.3	Y466 H473 Q507 W664	Y466-F662 HydrophobicContact CE1-CD2 4.37Å; Y466-F662 HydrophobicContact CE1-CE2 4.3Å; Y466-F662 AromaticContact CZ-CE2 3.88Å; Y466-F662 WeakPolarHBondContact OH-CE2 3.38Å; H473-F662 PolarHBondContact CE1-O 2.98Å; Q507-F662 HydrophobicContact CG-CD2 3.75Å; Q507-F662 HydrophobicContact CG-CE2 3.95Å; Q507-F662 HydrophobicContact CG-CG 4.07Å; Q507-F662 HydrophobicContact CG-CZ 4.44Å; F662-W664 HydrophobicContact CB-CH2 4.19Å; F662-W664 HydrophobicContact CB-CZ2 4.12Å; F662-W664 HydrophobicContact CD2-CZ2 4.39Å
663	S	95.1	Very high	93.9	Very high	15 Å²	15	56.3 Å²	56.3	11%	0.105	27%	0.272	C	S	.	.			trans	-116.6	120.8	176.6	178.6	0	0	0	0	110.4	K370 F661 D665 D670	K370-S663 PolarHBondContact NZ-O 2.89Å; F661-S663 PolarHBondContact O-N 3.38Å; S663-D665 PolarHBondContact OG-N 3.47Å; S663-D670 PolarHBondContact OG-OD1 3.2Å
664	W	97.5	Very high	93.9	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.038	27%	0.271	C	S	.	.			trans	-101.6	13.3	170.3	-56.1	-78.4	0	0	0	111.6	F366 Q419 R422 L423 Y466 L469 L470 H473 F662	F366-W664 AromaticContact CD1-CD1 3.71Å; F366-W664 AromaticContact CD1-NE1 3.93Å; F366-W664 AromaticContact CE1-CD1 3.36Å; F366-W664 HydrophobicContact CE1-CG 4.42Å; F366-W664 AromaticContact CE1-NE1 3.94Å; F366-W664 AromaticContact CE2-CD1 3.81Å; F366-W664 HydrophobicContact CZ-CB 4.29Å; F366-W664 AromaticContact CZ-CD1 3.42Å; F366-W664 VanDerWaalsContact CZ-CD1 3.42Å; F366-W664 HydrophobicContact CZ-CG 4.23Å; Q419-W664 HydrophobicContact CB-CG 4.25Å; Q419-W664 HydrophobicContact CG-CD2 4.28Å; Q419-W664 HydrophobicContact CG-CG 4.1Å; Q419-W664 VanDerWaalsContact NE2-NE1 3.11Å; R422-W664 CarbonylContact C-O 3.56Å; R422-W664 HydrophobicContact CB-CB 4.26Å; R422-W664 HydrophobicContact CG-CB 3.9Å; R422-W664 WeakPolarHBondContact CG-O 3.44Å; L423-W664 WeakPolarHBondContact CA-O 3.33Å; L423-W664 PolarHBondContact N-O 3.48Å; L423-W664 VanDerWaalsContact N-O 3.12Å; Y466-W664 HydrophobicContact CD2-CZ2 4.17Å; Y466-W664 HydrophobicContact CG-CH2 4.24Å; Y466-W664 HydrophobicContact CG-CZ2 4.14Å; L469-W664 HydrophobicContact CB-CH2 3.78Å; L469-W664 HydrophobicContact CB-CZ3 3.73Å; L469-W664 HydrophobicContact CD1-CH2 3.83Å; L469-W664 HydrophobicContact CD1-CZ3 4.49Å; L469-W664 HydrophobicContact CG-CH2 4.47Å; L470-W664 HydrophobicContact CD2-CB 4.35Å; L470-W664 HydrophobicContact CD2-CD2 4Å; L470-W664 HydrophobicContact CD2-CE3 3.55Å; L470-W664 HydrophobicContact CD2-CG 4.33Å; L470-W664 HydrophobicContact CD2-CZ3 4.16Å; L470-W664 HydrophobicContact CG-CD2 4.46Å; L470-W664 HydrophobicContact CG-CE3 3.87Å; L470-W664 HydrophobicContact CG-CZ3 3.96Å; H473-W664 AromaticContact CE1-CE3 3.73Å; H473-W664 AromaticContact CE1-CZ3 3.51Å; H473-W664 AromaticContact ND1-CE3 3.6Å; H473-W664 AromaticContact ND1-CZ3 3.71Å; F662-W664 HydrophobicContact CB-CH2 4.19Å; F662-W664 HydrophobicContact CB-CZ2 4.12Å; F662-W664 HydrophobicContact CD2-CZ2 4.39Å
665	D	95.8	Very high	93.9	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.091	27%	0.27	C	S	.	.	S	Bend	trans	-68.7	152.8	179.4	-70	-24.8	0	0	0	111.6	R422 L423 H428 S663 R669	R422-D665 IonicContact CZ-OD1 3.11Å; R422-D665 IonicContact NE-OD1 3.63Å; R422-D665 PolarHBondContact NE-OD1 2.95Å; R422-D665 IonicContact NH2-OD1 3.41Å; R422-D665 PolarHBondContact NH2-OD1 2.87Å; R422-D665 IonicContact NH2-OD2 2.98Å; L423-D665 WeakPolarHBondContact CD1-O 3.42Å; H428-D665 IonicContact CE1-OD1 3.97Å; H428-D665 PolarHBondContact CE1-OD1 3.11Å; H428-D665 IonicContact NE2-OD1 3Å; H428-D665 PolarHBondContact NE2-OD1 2.81Å; S663-D665 PolarHBondContact OG-N 3.47Å; D665-R669 HydrophobicContact CB-CB 4.39Å
666	P	92.7	Very high	93.9	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.084	28%	0.276	C	S	.	.			trans	-60.5	152.6	173.7	30.9	-38.3	0	0	0	110	L423 H428 D668 R669 D670	L423-P666 WeakPolarHBondContact O-CA 3.37Å; L423-P666 VanDerWaalsContact O-CB 3.27Å; L423-P666 WeakPolarHBondContact O-CB 3.29Å; H428-P666 WeakPolarHBondContact CE1-CD 3.38Å; P666-D668 WeakPolarHBondContact CB-OD1 3.39Å; P666-D668 WeakPolarHBondContact CG-OD1 3.46Å; P666-D668 PolarHBondContact O-N 2.9Å; P666-R669 HydrophobicContact CG-CB 4.16Å; P666-R669 HydrophobicContact CG-CG 4.05Å; P666-R669 PolarHBondContact O-N 2.92Å; P666-D670 PolarHBondContact O-N 3.4Å; P666-D670 VanDerWaalsContact O-N 3.14Å
667	K	84.5	Confident	93.8	Very high	189 Å²	189	61.5 Å²	61.5	82%	0.822	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.5	-169.8	-172.1	178.8	179.6	-179.2	0	114
668	D	81.6	Confident	93.9	Very high	131 Å²	131	59.7 Å²	59.7	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.7	177.9	63	-44	0	0	0	113.9	P666	P666-D668 WeakPolarHBondContact CB-OD1 3.39Å; P666-D668 WeakPolarHBondContact CG-OD1 3.46Å; P666-D668 PolarHBondContact O-N 2.9Å
669	R	84.3	Confident	93.9	Very high	91 Å²	91	59.3 Å²	59.3	34%	0.343	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-7.4	178.2	-58.1	-174.1	79.5	166.9	-2.2	113.6	H428 E481 D665 P666 P752	H428-R669 PolarHBondContact CD2-NH1 2.74Å; E481-R669 IonicContact OE1-CZ 2.68Å; E481-R669 IonicContact OE1-NH1 2.8Å; E481-R669 IonicContact OE1-NH2 3.79Å; E481-R669 PolarHBondContact OE1-NH2 3.07Å; E481-R669 VanDerWaalsContact OE1-NH2 3.11Å; D665-R669 HydrophobicContact CB-CB 4.39Å; P666-R669 HydrophobicContact CG-CB 4.16Å; P666-R669 HydrophobicContact CG-CG 4.05Å; P666-R669 PolarHBondContact O-N 2.92Å; R669-P752 WeakPolarHBondContact O-CB 3.49Å; R669-P752 WeakPolarHBondContact O-CG 3.31Å
670	D	87.2	Confident	94	Very high	34 Å²	34	57 Å²	57	18%	0.182	27%	0.274	C	S	.	.	S	Bend	trans	-75.8	177.7	173.8	-154	-1.6	0	0	0	111.8	K370 S663 P666 S672	K370-D670 IonicContact NZ-OD2 3.2Å; K370-D670 PolarHBondContact NZ-OD2 3.34Å; K370-D670 VanDerWaalsContact NZ-OD2 3.1Å; S663-D670 PolarHBondContact OG-OD1 3.2Å; P666-D670 PolarHBondContact O-N 3.4Å; P666-D670 VanDerWaalsContact O-N 3.14Å; D670-S672 PolarHBondContact O-N 3.28Å; D670-S672 VanDerWaalsContact O-N 3.12Å
671	V	92.6	Very high	94.1	Very high	20 Å²	20	59.2 Å²	59.2	12%	0.121	28%	0.282	C	S	.	.			trans	-72.5	106.3	179.7	-173	0	0	0	0	111	H675 K676	V671-H675 HydrophobicContact CG1-CB 4.43Å; V671-K676 HydrophobicContact CG1-CG 3.87Å
672	S	94.4	Very high	94.2	Very high	45 Å²	45	59 Å²	59	32%	0.315	28%	0.282	S	S	.	.			trans	-77.9	159.4	174	75.1	0	0	0	0	112.6	D670 E674 H675 K676	D670-S672 PolarHBondContact O-N 3.28Å; D670-S672 VanDerWaalsContact O-N 3.12Å; S672-E674 PolarHBondContact O-N 3.44Å; S672-E674 PolarHBondContact OG-N 3.48Å; S672-H675 PolarHBondContact N-ND1 3.5Å; S672-H675 WeakPolarHBondContact O-CB 3.49Å; S672-H675 PolarHBondContact O-N 3.1Å; S672-H675 PolarHBondContact OG-N 3.24Å; S672-H675 PolarHBondContact OG-ND1 3.12Å; S672-K676 PolarHBondContact O-N 2.86Å
673	E	95.1	Very high	94.2	Very high	136 Å²	136	55.4 Å²	55.4	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-63	-30.3	172.1	-68	-56	129.2	0	0	112.3	K676 K677	E673-K676 PolarHBondContact O-N 3.16Å; E673-K676 IonicContact OE1-NZ 3.17Å; E673-K676 PolarHBondContact OE1-NZ 3.05Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 PolarHBondContact O-N 2.9Å
674	E	95.8	Very high	94.4	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-39.7	173.7	-170.3	61.3	-159.8	0	0	111.1	S672 K676 K677 L678	S672-E674 PolarHBondContact O-N 3.44Å; S672-E674 PolarHBondContact OG-N 3.48Å; E674-K676 VanDerWaalsContact C-N 3.33Å; E674-K676 PolarHBondContact O-N 2.96Å; E674-K677 PolarHBondContact O-N 3.15Å; E674-K677 IonicContact OE1-NZ 2.85Å; E674-K677 IonicContact OE2-NZ 3.8Å; E674-L678 HydrophobicContact CG-CD1 3.96Å; E674-L678 HydrophobicContact CG-CG 4.31Å; E674-L678 WeakPolarHBondContact O-CB 3.41Å; E674-L678 VanDerWaalsContact O-CG 3.29Å; E674-L678 WeakPolarHBondContact O-CG 3.46Å; E674-L678 PolarHBondContact O-N 3.17Å
675	H	96.9	Very high	94.4	Very high	38 Å²	38	55.8 Å²	55.8	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-41.8	173.5	-65.8	155.1	0	0	0	112	V671 S672 S679 Y751 P752 P756	V671-H675 HydrophobicContact CG1-CB 4.43Å; S672-H675 PolarHBondContact N-ND1 3.5Å; S672-H675 WeakPolarHBondContact O-CB 3.49Å; S672-H675 PolarHBondContact O-N 3.1Å; S672-H675 PolarHBondContact OG-N 3.24Å; S672-H675 PolarHBondContact OG-ND1 3.12Å; H675-S679 VanDerWaalsContact O-CB 3.32Å; H675-S679 WeakPolarHBondContact O-CB 3.41Å; H675-S679 PolarHBondContact O-N 2.95Å; H675-Y751 HydrophobicContact CB-CD1 4.29Å; H675-P752 WeakPolarHBondContact ND1-CD 3.32Å; H675-P756 HydrophobicContact CB-CG 4.48Å
676	K	97.4	Very high	94.6	Very high	46 Å²	46	56 Å²	56	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-43.2	177.4	-61.2	-179.3	-171.8	161.9	0	111.6	L658 V671 S672 E673 E674 S679 L680	L658-K676 HydrophobicContact CD1-CB 4.34Å; L658-K676 HydrophobicContact CD1-CG 3.88Å; V671-K676 HydrophobicContact CG1-CG 3.87Å; S672-K676 PolarHBondContact O-N 2.86Å; E673-K676 PolarHBondContact O-N 3.16Å; E673-K676 IonicContact OE1-NZ 3.17Å; E673-K676 PolarHBondContact OE1-NZ 3.05Å; E674-K676 VanDerWaalsContact C-N 3.33Å; E674-K676 PolarHBondContact O-N 2.96Å; K676-S679 PolarHBondContact O-N 3.03Å; K676-L680 PolarHBondContact O-N 3.1Å
677	K	97.7	Very high	94.9	Very high	122 Å²	122	55.3 Å²	55.3	53%	0.53	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-48.6	177.1	179.6	-171.7	163.5	-151.9	0	111.9	E673 E674 S679 L680 E681	E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 PolarHBondContact O-N 2.9Å; E674-K677 PolarHBondContact O-N 3.15Å; E674-K677 IonicContact OE1-NZ 2.85Å; E674-K677 IonicContact OE2-NZ 3.8Å; K677-S679 VanDerWaalsContact C-N 3.3Å; K677-S679 PolarHBondContact O-N 3.24Å; K677-L680 PolarHBondContact O-N 2.94Å; K677-E681 PolarHBondContact O-N 3.49Å
678	L	98	Very high	95.5	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-38.7	177.3	-70.7	171.1	0	0	0	111.5	E674 E681 E682 F744 I749 Y751	E674-L678 HydrophobicContact CG-CD1 3.96Å; E674-L678 HydrophobicContact CG-CG 4.31Å; E674-L678 WeakPolarHBondContact O-CB 3.41Å; E674-L678 VanDerWaalsContact O-CG 3.29Å; E674-L678 WeakPolarHBondContact O-CG 3.46Å; E674-L678 PolarHBondContact O-N 3.17Å; L678-E681 PolarHBondContact O-N 3.49Å; L678-E682 WeakPolarHBondContact O-CB 3.39Å; L678-E682 PolarHBondContact O-N 3.43Å; L678-F744 HydrophobicContact CB-CZ 4.42Å; L678-F744 HydrophobicContact CD2-CE2 4.1Å; L678-F744 HydrophobicContact CD2-CZ 4.48Å; L678-I749 HydrophobicContact CB-CD1 4.34Å; L678-I749 HydrophobicContact CD1-CD1 3.99Å; L678-I749 HydrophobicContact CD1-CG1 4.24Å; L678-I749 HydrophobicContact CD1-CG2 4.02Å; L678-I749 HydrophobicContact CD2-CD1 3.99Å; L678-I749 HydrophobicContact CG-CD1 4.34Å; L678-Y751 HydrophobicContact CB-CE1 4.34Å
679	S	98.4	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-47.2	173.7	178.9	0	0	0	0	112	R656 H675 K676 K677 E681 E682 E683 Y751 P756	R656-S679 PolarHBondContact NH2-OG 3.12Å; H675-S679 VanDerWaalsContact O-CB 3.32Å; H675-S679 WeakPolarHBondContact O-CB 3.41Å; H675-S679 PolarHBondContact O-N 2.95Å; K676-S679 PolarHBondContact O-N 3.03Å; K677-S679 VanDerWaalsContact C-N 3.3Å; K677-S679 PolarHBondContact O-N 3.24Å; S679-E681 VanDerWaalsContact C-N 3.31Å; S679-E681 PolarHBondContact O-N 3.48Å; S679-E682 PolarHBondContact O-N 3.27Å; S679-E683 WeakPolarHBondContact O-CB 3.44Å; S679-E683 WeakPolarHBondContact O-CG 3.33Å; S679-E683 PolarHBondContact O-N 2.87Å; S679-Y751 PolarHBondContact N-OH 3.33Å; S679-P756 WeakPolarHBondContact OG-CB 3.5Å
680	L	98.3	Very high	97	Very high	51 Å²	51	41.2 Å²	41.2	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-61.5	-39.9	176.2	171.5	57	0	0	0	111.8	L607 D654 K676 K677 T684	L607-L680 HydrophobicContact CD2-CD1 3.97Å; D654-L680 HydrophobicContact CB-CD1 4.14Å; D654-L680 HydrophobicContact CB-CD2 4.32Å; K676-L680 PolarHBondContact O-N 3.1Å; K677-L680 PolarHBondContact O-N 2.94Å; L680-T684 VanDerWaalsContact O-CB 3.28Å; L680-T684 WeakPolarHBondContact O-CB 3.36Å; L680-T684 PolarHBondContact O-N 3.24Å; L680-T684 PolarHBondContact O-OG1 2.83Å
681	E	98.3	Very high	97.6	Very high	73 Å²	73	39.9 Å²	39.9	34%	0.341	19%	0.189	S	C	.	.	H	α-helix	trans	-59.1	-49.3	174.4	-175	-178.1	159.4	0	0	110.9	K677 L678 S679 T684 L685 F744 K747	K677-E681 PolarHBondContact O-N 3.49Å; L678-E681 PolarHBondContact O-N 3.49Å; S679-E681 VanDerWaalsContact C-N 3.31Å; S679-E681 PolarHBondContact O-N 3.48Å; E681-T684 PolarHBondContact O-N 3.29Å; E681-L685 HydrophobicContact CG-CD1 4.31Å; E681-L685 WeakPolarHBondContact O-CG 3.48Å; E681-L685 PolarHBondContact O-N 2.87Å; E681-F744 HydrophobicContact CB-CE2 4.23Å; E681-F744 HydrophobicContact CG-CD2 4.25Å; E681-F744 HydrophobicContact CG-CE2 4.01Å; E681-F744 WeakPolarHBondContact OE1-CD2 3.29Å; E681-K747 IonicContact OE1-NZ 2.77Å
682	E	98.6	Very high	97.8	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-46.8	179.6	-161.8	-172.7	157.9	0	0	112.5	L678 S679 T684 L685 W686 F744 Y751 T759 M761	L678-E682 WeakPolarHBondContact O-CB 3.39Å; L678-E682 PolarHBondContact O-N 3.43Å; S679-E682 PolarHBondContact O-N 3.27Å; E682-T684 VanDerWaalsContact C-N 3.31Å; E682-T684 PolarHBondContact O-N 3.35Å; E682-L685 PolarHBondContact O-N 3.02Å; E682-W686 PolarHBondContact O-N 2.96Å; E682-F744 HydrophobicContact CB-CD1 4.44Å; E682-F744 HydrophobicContact CB-CE1 3.64Å; E682-F744 HydrophobicContact CB-CZ 3.71Å; E682-F744 HydrophobicContact CG-CD1 4.03Å; E682-F744 HydrophobicContact CG-CE1 3.49Å; E682-F744 VanDerWaalsContact CG-CE1 3.49Å; E682-F744 HydrophobicContact CG-CZ 4.11Å; E682-Y751 WeakPolarHBondContact OE2-CE2 3.4Å; E682-Y751 PolarHBondContact OE2-OH 3.26Å; E682-T759 HydrophobicContact CB-CG2 4.2Å; E682-T759 HydrophobicContact CG-CG2 3.72Å; E682-T759 WeakPolarHBondContact CG-OG1 3.49Å; E682-T759 WeakPolarHBondContact OE1-CB 3.48Å; E682-T759 PolarHBondContact OE1-N 3.43Å; E682-T759 PolarHBondContact OE1-OG1 3.48Å; E682-M761 HydrophobicContact CG-CE 3.76Å
683	E	98.5	Very high	98	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-38.3	177.9	-66.9	-76.3	-170.7	0	0	111.7	L607 Q611 R656 S679 L687 T759	L607-E683 HydrophobicContact CD1-CB 4.12Å; L607-E683 HydrophobicContact CD2-CB 3.7Å; L607-E683 HydrophobicContact CD2-CG 4.16Å; L607-E683 HydrophobicContact CG-CB 4.47Å; Q611-E683 PolarHBondContact NE2-OE2 3.14Å; R656-E683 IonicContact CZ-OE1 2.78Å; R656-E683 IonicContact NH1-OE1 3.26Å; R656-E683 PolarHBondContact NH1-OE1 3.25Å; S679-E683 WeakPolarHBondContact O-CB 3.44Å; S679-E683 WeakPolarHBondContact O-CG 3.33Å; S679-E683 PolarHBondContact O-N 2.87Å; E683-L687 WeakPolarHBondContact O-CB 3.27Å; E683-L687 PolarHBondContact O-N 3.23Å; E683-T759 VanDerWaalsContact CD-CG2 3.49Å; E683-T759 HydrophobicContact CG-CG2 3.99Å; E683-T759 WeakPolarHBondContact OE2-CG2 3.22Å
684	T	98.6	Very high	98.2	Very high	22 Å²	22	31 Å²	31	14%	0.135	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-41.7	176.3	-58.6	0	0	0	0	111.2	W649 L652 L680 E681 E682 R688	W649-T684 HydrophobicContact CE3-CG2 4.29Å; W649-T684 HydrophobicContact CZ3-CG2 4.31Å; L652-T684 HydrophobicContact CD2-CG2 4.42Å; L680-T684 VanDerWaalsContact O-CB 3.28Å; L680-T684 WeakPolarHBondContact O-CB 3.36Å; L680-T684 PolarHBondContact O-N 3.24Å; L680-T684 PolarHBondContact O-OG1 2.83Å; E681-T684 PolarHBondContact O-N 3.29Å; E682-T684 VanDerWaalsContact C-N 3.31Å; E682-T684 PolarHBondContact O-N 3.35Å; T684-R688 WeakPolarHBondContact O-CB 3.29Å; T684-R688 PolarHBondContact O-N 2.82Å
685	L	98.6	Very high	98.2	Very high	11 Å²	11	28 Å²	28	6%	0.058	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-47.4	176.2	-73.8	171.1	0	0	0	111.3	E681 E682 R688 I689 T740 F744 M761	E681-L685 HydrophobicContact CG-CD1 4.31Å; E681-L685 WeakPolarHBondContact O-CG 3.48Å; E681-L685 PolarHBondContact O-N 2.87Å; E682-L685 PolarHBondContact O-N 3.02Å; L685-R688 PolarHBondContact O-N 3.2Å; L685-I689 WeakPolarHBondContact O-CG1 3.28Å; L685-I689 PolarHBondContact O-N 3.22Å; L685-T740 HydrophobicContact CD1-CG2 4.36Å; L685-T740 HydrophobicContact CD2-CG2 3.75Å; L685-F744 HydrophobicContact CD1-CB 4.11Å; L685-F744 HydrophobicContact CD1-CD2 4.22Å; L685-F744 HydrophobicContact CD1-CG 4.21Å; L685-M761 HydrophobicContact CB-CE 4.46Å; L685-M761 HydrophobicContact CB-SD 4.11Å; L685-M761 HydrophobicContact CD1-CE 4.45Å
686	W	98.6	Very high	98.3	Very high	21 Å²	21	26.4 Å²	26.4	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-46.6	177.1	-173.1	105.3	0	0	0	111.5	E615 E682 R688 I689 R690 T759	E615-W686 VanDerWaalsContact CD-CH2 3.47Å; E615-W686 HydrophobicContact CG-CH2 4.27Å; E615-W686 HydrophobicContact CG-CZ3 4.48Å; E615-W686 WeakPolarHBondContact OE1-CH2 3.12Å; E615-W686 VanDerWaalsContact OE1-CZ3 3.31Å; E615-W686 WeakPolarHBondContact OE1-CZ3 3.16Å; E682-W686 PolarHBondContact O-N 2.96Å; W686-R688 VanDerWaalsContact C-N 3.27Å; W686-R688 PolarHBondContact O-N 3.5Å; W686-I689 WeakPolarHBondContact O-CB 3.33Å; W686-I689 PolarHBondContact O-N 3.43Å; W686-R690 HydrophobicContact CD2-CG 3.78Å; W686-R690 HydrophobicContact CE3-CB 4.05Å; W686-R690 HydrophobicContact CE3-CG 3.58Å; W686-R690 HydrophobicContact CH2-CB 4.01Å; W686-R690 HydrophobicContact CH2-CG 3.32Å; W686-R690 VanDerWaalsContact CH2-NE 3.31Å; W686-R690 HydrophobicContact CZ2-CG 3.48Å; W686-R690 VanDerWaalsContact CZ2-CG 3.48Å; W686-R690 HydrophobicContact CZ3-CB 3.67Å; W686-R690 HydrophobicContact CZ3-CG 3.35Å; W686-R690 WeakPolarHBondContact O-CG 3.32Å; W686-R690 PolarHBondContact O-N 2.79Å; W686-T759 HydrophobicContact CB-CG2 4.23Å
687	L	98.7	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-39.8	178.2	176.2	61.5	0	0	0	111.2	L607 A610 Q611 I647 W649 L652 E683 R690 S691	L607-L687 HydrophobicContact CD1-CD2 4Å; A610-L687 HydrophobicContact CB-CD1 4.49Å; A610-L687 HydrophobicContact CB-CD2 3.61Å; Q611-L687 HydrophobicContact CG-CD1 4.12Å; Q611-L687 HydrophobicContact CG-CD2 4.4Å; I647-L687 HydrophobicContact CD1-CD1 4.36Å; I647-L687 HydrophobicContact CD1-CG 4.43Å; I647-L687 HydrophobicContact CG2-CD2 4.47Å; W649-L687 HydrophobicContact CH2-CD2 4.36Å; W649-L687 HydrophobicContact CH2-CG 3.95Å; W649-L687 HydrophobicContact CZ3-CD2 4.19Å; W649-L687 HydrophobicContact CZ3-CG 4.14Å; L652-L687 HydrophobicContact CD2-CD2 4.17Å; E683-L687 WeakPolarHBondContact O-CB 3.27Å; E683-L687 PolarHBondContact O-N 3.23Å; L687-R690 PolarHBondContact O-N 3.13Å; L687-S691 WeakPolarHBondContact O-CB 3.17Å; L687-S691 PolarHBondContact O-N 3.04Å
688	R	98.6	Very high	98.1	Very high	88 Å²	88	18.6 Å²	18.6	33%	0.332	9%	0.086	S	C	.	.	H	α-helix	trans	-62.9	-46	175.7	-171.7	174.9	-64.8	151.6	2.1	112.1	W649 T684 L685 W686 R690 L692 A737	W649-R688 HydrophobicContact CH2-CB 3.76Å; W649-R688 HydrophobicContact CH2-CG 4.21Å; W649-R688 HydrophobicContact CZ2-CB 4.5Å; W649-R688 HydrophobicContact CZ2-CG 4.49Å; W649-R688 HydrophobicContact CZ3-CB 3.87Å; W649-R688 HydrophobicContact CZ3-CG 4.47Å; T684-R688 WeakPolarHBondContact O-CB 3.29Å; T684-R688 PolarHBondContact O-N 2.82Å; L685-R688 PolarHBondContact O-N 3.2Å; W686-R688 VanDerWaalsContact C-N 3.27Å; W686-R688 PolarHBondContact O-N 3.5Å; R688-R690 PolarHBondContact O-N 3.44Å; R688-L692 HydrophobicContact CG-CD1 3.86Å; R688-L692 HydrophobicContact CG-CG 4.39Å; R688-L692 VanDerWaalsContact O-CB 3.29Å; R688-L692 WeakPolarHBondContact O-CB 3.25Å; R688-L692 WeakPolarHBondContact O-CG 3.44Å; R688-L692 PolarHBondContact O-N 3.01Å; R688-A737 HydrophobicContact CG-CB 4.42Å
689	I	98.7	Very high	97.9	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-55.4	-41.8	175.1	-71.4	162.3	0	0	0	110.3	L685 W686 T693 L734 A737 L738 M761 F764	L685-I689 WeakPolarHBondContact O-CG1 3.28Å; L685-I689 PolarHBondContact O-N 3.22Å; W686-I689 WeakPolarHBondContact O-CB 3.33Å; W686-I689 PolarHBondContact O-N 3.43Å; I689-T693 WeakPolarHBondContact O-CB 3.28Å; I689-T693 PolarHBondContact O-N 3.27Å; I689-T693 PolarHBondContact O-OG1 3.13Å; I689-L734 HydrophobicContact CB-CD1 4.32Å; I689-L734 HydrophobicContact CG1-CD1 4.44Å; I689-L734 HydrophobicContact CG2-CD1 4.03Å; I689-A737 HydrophobicContact CG1-CB 4.11Å; I689-L738 HydrophobicContact CD1-CD2 3.86Å; I689-L738 HydrophobicContact CG1-CD2 3.97Å; I689-L738 HydrophobicContact CG1-CG 4.49Å; I689-L738 HydrophobicContact CG2-CD2 3.91Å; I689-M761 HydrophobicContact CD1-CG 4.42Å; I689-M761 HydrophobicContact CD1-SD 3.99Å; I689-F764 HydrophobicContact CG2-CE1 4.21Å
690	R	98.4	Very high	97.7	Very high	22 Å²	22	17.8 Å²	17.8	8%	0.083	8%	0.081	C	C	.	.	H	α-helix	trans	-79.7	-40.1	-173.7	-68.9	-83.4	-58	-176.2	-4.6	113.2	T614 E615 L618 W686 L687 R688 T693 L694 E846	T614-R690 HydrophobicContact CG2-CB 4.06Å; E615-R690 IonicContact OE1-CZ 2.76Å; E615-R690 IonicContact OE1-NE 3.74Å; E615-R690 PolarHBondContact OE1-NE 3.35Å; E615-R690 VanDerWaalsContact OE1-NE 3.12Å; E615-R690 IonicContact OE1-NH2 2.71Å; E615-R690 IonicContact OE2-CZ 3.06Å; E615-R690 IonicContact OE2-NE 3.36Å; E615-R690 IonicContact OE2-NH2 3.85Å; E615-R690 PolarHBondContact OE2-NH2 2.79Å; L618-R690 HydrophobicContact CD1-CB 4.35Å; L618-R690 VanDerWaalsContact CD1-CZ 3.46Å; W686-R690 HydrophobicContact CD2-CG 3.78Å; W686-R690 HydrophobicContact CE3-CB 4.05Å; W686-R690 HydrophobicContact CE3-CG 3.58Å; W686-R690 HydrophobicContact CH2-CB 4.01Å; W686-R690 HydrophobicContact CH2-CG 3.32Å; W686-R690 VanDerWaalsContact CH2-NE 3.31Å; W686-R690 HydrophobicContact CZ2-CG 3.48Å; W686-R690 VanDerWaalsContact CZ2-CG 3.48Å; W686-R690 HydrophobicContact CZ3-CB 3.67Å; W686-R690 HydrophobicContact CZ3-CG 3.35Å; W686-R690 WeakPolarHBondContact O-CG 3.32Å; W686-R690 PolarHBondContact O-N 2.79Å; L687-R690 PolarHBondContact O-N 3.13Å; R688-R690 PolarHBondContact O-N 3.44Å; R690-T693 PolarHBondContact O-N 2.92Å; R690-L694 WeakPolarHBondContact O-CB 3.37Å; R690-L694 PolarHBondContact O-N 3.32Å; R690-E846 IonicContact CZ-OE2 2.81Å; R690-E846 IonicContact NH1-OE2 3.78Å; R690-E846 PolarHBondContact NH1-OE2 3.16Å; R690-E846 IonicContact NH2-OE2 3.96Å
691	S	98.5	Very high	97.3	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-45.7	170.7	176.5	0	0	0	0	111.3	L687 T693 L694 R695	L687-S691 WeakPolarHBondContact O-CB 3.17Å; L687-S691 PolarHBondContact O-N 3.04Å; S691-T693 VanDerWaalsContact C-N 3.34Å; S691-T693 PolarHBondContact O-N 3.46Å; S691-L694 WeakPolarHBondContact O-CB 3.43Å; S691-L694 PolarHBondContact O-N 2.83Å; S691-R695 WeakPolarHBondContact O-CB 3.42Å; S691-R695 WeakPolarHBondContact O-CG 3.38Å; S691-R695 PolarHBondContact O-N 3.1Å
692	L	98.6	Very high	96.6	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-41.2	176.4	-72.6	170.8	0	0	0	112	R688 R695 L696 L730 Q733 L734 A737	R688-L692 HydrophobicContact CG-CD1 3.86Å; R688-L692 HydrophobicContact CG-CG 4.39Å; R688-L692 VanDerWaalsContact O-CB 3.29Å; R688-L692 WeakPolarHBondContact O-CB 3.25Å; R688-L692 WeakPolarHBondContact O-CG 3.44Å; R688-L692 PolarHBondContact O-N 3.01Å; L692-R695 PolarHBondContact O-N 3.39Å; L692-L696 WeakPolarHBondContact O-CB 3.33Å; L692-L696 WeakPolarHBondContact O-CG 3.35Å; L692-L696 PolarHBondContact O-N 3.34Å; L692-L730 HydrophobicContact CD2-CD2 3.81Å; L692-Q733 HydrophobicContact CD1-CB 4.06Å; L692-Q733 HydrophobicContact CD2-CB 4.12Å; L692-L734 HydrophobicContact CB-CB 4.25Å; L692-L734 HydrophobicContact CB-CD1 4.05Å; L692-L734 HydrophobicContact CD1-CB 4.18Å; L692-L734 HydrophobicContact CD1-CD1 4.41Å; L692-A737 HydrophobicContact CD1-CB 4.34Å
693	T	98.4	Very high	95.9	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-60.8	-47.2	174.6	-59.6	0	0	0	0	111.2	I689 R690 S691 R695 L696 I697 F777	I689-T693 WeakPolarHBondContact O-CB 3.28Å; I689-T693 PolarHBondContact O-N 3.27Å; I689-T693 PolarHBondContact O-OG1 3.13Å; R690-T693 PolarHBondContact O-N 2.92Å; S691-T693 VanDerWaalsContact C-N 3.34Å; S691-T693 PolarHBondContact O-N 3.46Å; T693-R695 PolarHBondContact O-N 2.91Å; T693-L696 PolarHBondContact O-N 3.02Å; T693-I697 HydrophobicContact CG2-CD1 3.82Å; T693-I697 WeakPolarHBondContact O-CD1 3.37Å; T693-I697 VanDerWaalsContact O-CG1 3.23Å; T693-I697 WeakPolarHBondContact O-CG1 3.39Å; T693-I697 PolarHBondContact O-N 3.42Å; T693-F777 HydrophobicContact CG2-CZ 4.47Å
694	L	98.2	Very high	94.6	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-47	175.9	176.1	61.8	0	0	0	111.8	T614 M617 L618 L621 L640 R690 S691 I697 S698	T614-L694 HydrophobicContact CG2-CD2 4.23Å; M617-L694 HydrophobicContact CB-CD1 4.09Å; M617-L694 HydrophobicContact CB-CD2 3.76Å; M617-L694 HydrophobicContact CG-CD2 4.44Å; M617-L694 HydrophobicContact SD-CD2 3.8Å; L618-L694 HydrophobicContact CD1-CB 4.5Å; L618-L694 HydrophobicContact CD2-CB 3.92Å; L618-L694 HydrophobicContact CD2-CD1 3.81Å; L618-L694 HydrophobicContact CD2-CG 4.43Å; L618-L694 HydrophobicContact CG-CB 4.18Å; L618-L694 HydrophobicContact CG-CD1 4.09Å; L621-L694 HydrophobicContact CD1-CD1 3.54Å; L640-L694 HydrophobicContact CD1-CD1 3.77Å; L640-L694 HydrophobicContact CD1-CD2 4.34Å; L640-L694 HydrophobicContact CD1-CG 4.15Å; L640-L694 HydrophobicContact CD2-CD2 4.4Å; R690-L694 WeakPolarHBondContact O-CB 3.37Å; R690-L694 PolarHBondContact O-N 3.32Å; S691-L694 WeakPolarHBondContact O-CB 3.43Å; S691-L694 PolarHBondContact O-N 2.83Å; L694-I697 PolarHBondContact O-N 3.04Å; L694-S698 WeakPolarHBondContact O-CB 3.33Å; L694-S698 PolarHBondContact O-N 3.44Å
695	R	97.1	Very high	92.8	Very high	30 Å²	30	22.8 Å²	22.8	11%	0.113	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-42.1	179.4	-73.9	175	62	-175	5.5	111.8	P642 E643 D645 S691 L692 T693 I697 S698 G699 L730	P642-R695 PolarHBondContact O-NE 2.87Å; P642-R695 PolarHBondContact O-NH2 3.41Å; E643-R695 PolarHBondContact O-NH2 3.38Å; D645-R695 IonicContact OD2-NH1 2.96Å; D645-R695 PolarHBondContact OD2-NH1 3.49Å; S691-R695 WeakPolarHBondContact O-CB 3.42Å; S691-R695 WeakPolarHBondContact O-CG 3.38Å; S691-R695 PolarHBondContact O-N 3.1Å; L692-R695 PolarHBondContact O-N 3.39Å; T693-R695 PolarHBondContact O-N 2.91Å; R695-I697 PolarHBondContact O-N 3.48Å; R695-S698 PolarHBondContact O-N 3.03Å; R695-S698 PolarHBondContact O-OG 3.3Å; R695-G699 PolarHBondContact O-N 2.9Å; R695-L730 HydrophobicContact CB-CD1 4.06Å
696	L	97.4	Very high	90.1	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.9	-77.5	165.7	0	0	0	112	L692 T693 S698 G699 L727 L730 L731 L734 F777	L692-L696 WeakPolarHBondContact O-CB 3.33Å; L692-L696 WeakPolarHBondContact O-CG 3.35Å; L692-L696 PolarHBondContact O-N 3.34Å; T693-L696 PolarHBondContact O-N 3.02Å; L696-S698 VanDerWaalsContact C-N 3.32Å; L696-S698 PolarHBondContact O-N 2.79Å; L696-G699 PolarHBondContact O-N 3.2Å; L696-L727 HydrophobicContact CD2-CB 4.32Å; L696-L727 HydrophobicContact CD2-CD2 4.47Å; L696-L727 WeakPolarHBondContact CD2-O 3.33Å; L696-L730 HydrophobicContact CD2-CB 3.71Å; L696-L730 HydrophobicContact CG-CB 4Å; L696-L731 HydrophobicContact CD1-CD1 4.48Å; L696-L731 HydrophobicContact CD2-CB 4.45Å; L696-L734 HydrophobicContact CD1-CB 4.37Å; L696-L734 HydrophobicContact CD1-CD2 3.62Å; L696-F777 HydrophobicContact CB-CD1 4.15Å; L696-F777 HydrophobicContact CB-CE1 3.74Å; L696-F777 HydrophobicContact CB-CE2 4.32Å; L696-F777 HydrophobicContact CB-CZ 3.84Å; L696-F777 HydrophobicContact CD1-CD2 3.94Å; L696-F777 HydrophobicContact CD1-CE2 3.99Å; L696-F777 HydrophobicContact CD1-CG 4.27Å; L696-F777 HydrophobicContact CD1-CZ 4.35Å
697	I	97.3	Very high	87.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-41.6	176	-65.9	158.2	0	0	0	111	L618 L621 L631 T693 L694 R695 G699 L700 F777 V850 W853	L618-I697 HydrophobicContact CD2-CD1 4.23Å; L621-I697 HydrophobicContact CD1-CG2 4.13Å; L631-I697 HydrophobicContact CD1-CG2 4.25Å; T693-I697 HydrophobicContact CG2-CD1 3.82Å; T693-I697 WeakPolarHBondContact O-CD1 3.37Å; T693-I697 VanDerWaalsContact O-CG1 3.23Å; T693-I697 WeakPolarHBondContact O-CG1 3.39Å; T693-I697 PolarHBondContact O-N 3.42Å; L694-I697 PolarHBondContact O-N 3.04Å; R695-I697 PolarHBondContact O-N 3.48Å; I697-G699 PolarHBondContact O-N 2.99Å; I697-L700 WeakPolarHBondContact O-CG 3.36Å; I697-L700 PolarHBondContact O-N 2.91Å; I697-F777 HydrophobicContact CG1-CE1 4.34Å; I697-F777 HydrophobicContact CG1-CZ 4.12Å; I697-V850 HydrophobicContact CD1-CG2 3.86Å; I697-V850 HydrophobicContact CG1-CG1 4.42Å; I697-W853 HydrophobicContact CD1-CE3 4.16Å; I697-W853 HydrophobicContact CD1-CZ3 3.89Å; I697-W853 HydrophobicContact CG1-CE3 4.26Å; I697-W853 HydrophobicContact CG1-CZ3 4.49Å; I697-W853 HydrophobicContact CG2-CD2 4.42Å; I697-W853 HydrophobicContact CG2-CE3 3.74Å; I697-W853 HydrophobicContact CG2-CZ3 4.15Å
698	S	95.1	Very high	83.7	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-22	179.1	80.7	0	0	0	0	113.8	L694 R695 L696 P701	L694-S698 WeakPolarHBondContact O-CB 3.33Å; L694-S698 PolarHBondContact O-N 3.44Å; R695-S698 PolarHBondContact O-N 3.03Å; R695-S698 PolarHBondContact O-OG 3.3Å; L696-S698 VanDerWaalsContact C-N 3.32Å; L696-S698 PolarHBondContact O-N 2.79Å; S698-P701 WeakPolarHBondContact O-CD 3.41Å
699	G	93.4	Very high	80.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-77.7	-24	176.9	0	0	0	0	0	115	R695 L696 I697 S702 L703	R695-G699 PolarHBondContact O-N 2.9Å; L696-G699 PolarHBondContact O-N 3.2Å; I697-G699 PolarHBondContact O-N 2.99Å; G699-S702 PolarHBondContact O-N 3.28Å; G699-S702 VanDerWaalsContact O-N 3.15Å; G699-S702 PolarHBondContact O-OG 2.89Å; G699-L703 PolarHBondContact O-N 3.07Å
700	L	94.1	Very high	77.5	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.6	-45	-174.6	-57.6	174.4	0	0	0	113.4	L631 I697 S702 V780 W853 V854	L631-L700 HydrophobicContact CD2-CB 4.23Å; L631-L700 HydrophobicContact CD2-CD1 4.26Å; I697-L700 WeakPolarHBondContact O-CG 3.36Å; I697-L700 PolarHBondContact O-N 2.91Å; L700-S702 VanDerWaalsContact C-N 3.3Å; L700-S702 PolarHBondContact O-N 3.31Å; L700-V780 HydrophobicContact CD2-CB 4.48Å; L700-V780 HydrophobicContact CD2-CG1 3.96Å; L700-V780 HydrophobicContact CD2-CG2 3.65Å; L700-W853 HydrophobicContact CD1-CB 3.96Å; L700-V854 HydrophobicContact CD1-CG2 3.98Å; L700-V854 HydrophobicContact CD2-CG2 4.23Å
701	P	90.8	Very high	74.2	Confident	32 Å²	32	57.5 Å²	57.5	21%	0.208	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-67.5	-28	-179.7	-21.6	35.6	0	0	0	114.2	L631 A632 I635 S698 L703	L631-P701 HydrophobicContact CB-CG 4.42Å; L631-P701 HydrophobicContact CD2-CG 3.99Å; L631-P701 HydrophobicContact CG-CG 3.79Å; A632-P701 HydrophobicContact CB-CB 3.75Å; A632-P701 HydrophobicContact CB-CG 4.34Å; I635-P701 HydrophobicContact CG1-CG 4.44Å; S698-P701 WeakPolarHBondContact O-CD 3.41Å; P701-L703 VanDerWaalsContact C-N 3.35Å
702	S	82.3	Confident	70.9	Confident	37 Å²	37	62 Å²	62	26%	0.259	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-85.4	-10	-173.3	75.8	0	0	0	0	113.5	G699 L700 R723	G699-S702 PolarHBondContact O-N 3.28Å; G699-S702 VanDerWaalsContact O-N 3.15Å; G699-S702 PolarHBondContact O-OG 2.89Å; L700-S702 VanDerWaalsContact C-N 3.3Å; L700-S702 PolarHBondContact O-N 3.31Å; S702-R723 PolarHBondContact O-NH1 3.46Å
703	L	84.7	Confident	67.8	Low	2 Å²	2	70.6 Å²	70.6	1%	0.01	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-76.5	-19.9	175	-75	160.2	0	0	0	113.4	G699 P701 H705 I724 L727 V780 Y784 Y857	G699-L703 PolarHBondContact O-N 3.07Å; P701-L703 VanDerWaalsContact C-N 3.35Å; L703-H705 PolarHBondContact O-N 3.32Å; L703-I724 HydrophobicContact CD2-CB 4.13Å; L703-I724 HydrophobicContact CD2-CD1 3.8Å; L703-L727 HydrophobicContact CD1-CD1 3.33Å; L703-L727 HydrophobicContact CD2-CD1 4Å; L703-L727 HydrophobicContact CG-CD1 3.82Å; L703-V780 HydrophobicContact CD1-CG1 3.71Å; L703-Y784 HydrophobicContact CD2-CD2 3.68Å; L703-Y784 HydrophobicContact CD2-CE2 3.86Å; L703-Y784 HydrophobicContact CD2-CG 4.45Å; L703-Y857 HydrophobicContact CB-CD2 4.37Å; L703-Y857 HydrophobicContact CB-CE2 3.61Å; L703-Y857 HydrophobicContact CD1-CE2 4.31Å
704	N	71.3	Confident	64.8	Low	73 Å²	73	80.6 Å²	80.6	39%	0.39	42%	0.423	S	S	.	.			trans	-77.2	112.1	-179.2	-72.2	-10.5	0	0	0	110.5	Y857 S860	N704-Y857 WeakPolarHBondContact OD1-CD2 3.48Å; N704-Y857 WeakPolarHBondContact OD1-CE2 3.34Å; N704-S860 PolarHBondContact ND2-OG 3.1Å; N704-S860 PolarHBondContact OD1-OG 3.33Å
705	H	59.8	Low	61.4	Low	123 Å²	123	86.7 Å²	86.7	57%	0.569	46%	0.461	S	S	*	.			trans	-75.9	134.8	171.3	-69.9	-68.4	0	0	0	110.9	L703 V707	L703-H705 PolarHBondContact O-N 3.32Å; H705-V707 PolarHBondContact O-N 3.31Å
706	P	42.8	Very low	58.3	Low	113 Å²	113	89.3 Å²	89.3	73%	0.734	49%	0.489	S	S	*	.			trans	-63.1	124.8	158.3	26.8	-29.7	0	0	0	107.5	E708	P706-E708 VanDerWaalsContact C-N 3.29Å; P706-E708 PolarHBondContact O-N 3.36Å
707	V	34.9	Very low	55.2	Low	135 Å²	135	97.2 Å²	97.2	82%	0.818	53%	0.526	S	S	*	.			trans	-63.6	89.1	176.5	-178.9	0	0	0	0	108.7	H705	H705-V707 PolarHBondContact O-N 3.31Å
708	E	27.3	Very low	52	Low	148 Å²	148	104.9 Å²	104.9	69%	0.692	57%	0.567	S	S	*	*			trans	-72	137	159	-78.1	-163.6	166.2	0	0	108.6	P706 K710	P706-E708 VanDerWaalsContact C-N 3.29Å; P706-E708 PolarHBondContact O-N 3.36Å; E708-K710 PolarHBondContact O-N 3.05Å
709	P	33.3	Very low	49.3	Very low	110 Å²	110	108.5 Å²	108.5	71%	0.714	61%	0.605	S	S	*	*			trans	-62	122.2	178.3	24.6	-30.5	0	0	0	109.1	N711	P709-N711 VanDerWaalsContact C-N 3.3Å; P709-N711 PolarHBondContact O-N 3.16Å
710	K	33.7	Very low	46.8	Very low	207 Å²	207	114.4 Å²	114.4	90%	0.9	64%	0.641	S	S	*	*	S	Bend	trans	-50.1	89.9	171.3	-72.1	-177.1	175.2	-176.8	0	110.1	E708	E708-K710 PolarHBondContact O-N 3.05Å
711	N	29.5	Very low	44.8	Very low	163 Å²	163	117.5 Å²	117.5	87%	0.872	66%	0.663	S	S	*	*			trans	-161.8	23.9	171.5	-103.3	4.4	0	0	0	113	P709	P709-N711 VanDerWaalsContact C-N 3.3Å; P709-N711 PolarHBondContact O-N 3.16Å
712	S	30	Very low	43.9	Very low	99 Å²	99	118.1 Å²	118.1	69%	0.692	67%	0.668	S	S	*	*	S	Bend	trans	-123.8	125.5	164.9	51.2	0	0	0	0	109.4
713	E	31.8	Very low	43.9	Very low	186 Å²	186	123.7 Å²	123.7	87%	0.869	68%	0.683	S	S	*	*			trans	-59.5	141.8	178.1	-69.6	175.6	147.5	0	0	110.7	T715	E713-T715 PolarHBondContact O-N 3.45Å
714	K	35.9	Very low	44.1	Very low	213 Å²	213	123.7 Å²	123.7	93%	0.926	68%	0.683	S	S	*	*			trans	-53.8	104.7	177.4	-68.3	176.8	174.9	-178.7	0	110.9
715	T	27.7	Very low	45	Very low	135 Å²	135	123.3 Å²	123.3	83%	0.828	68%	0.681	S	S	*	*			trans	-89.6	108.1	152	43.4	0	0	0	0	108	E713 E717	E713-T715 PolarHBondContact O-N 3.45Å; T715-E717 PolarHBondContact O-N 3.39Å
716	A	31.4	Very low	46.5	Very low	85 Å²	85	119.3 Å²	119.3	70%	0.702	66%	0.663	S	S	*	*			trans	-66.6	108.3	172.3	0	0	0	0	0	109.5	N718	A716-N718 PolarHBondContact O-N 2.97Å
717	E	31.9	Very low	48.9	Very low	170 Å²	170	114.4 Å²	114.4	79%	0.794	63%	0.631	S	S	*	*			trans	-79	103.6	159.7	-74.7	-172.4	165.3	0	0	107.9	T715 G719	T715-E717 PolarHBondContact O-N 3.39Å; E717-G719 PolarHBondContact O-N 2.79Å
718	N	30.6	Very low	51.8	Low	162 Å²	162	112.2 Å²	112.2	87%	0.866	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	119.6	173.4	-74.8	-26.9	0	0	0	109.7	A716	A716-N718 PolarHBondContact O-N 2.97Å
719	G	37.8	Very low	55.1	Low	81 Å²	81	109.4 Å²	109.4	84%	0.835	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.9	-2.1	158.1	0	0	0	0	0	118	E717	E717-G719 PolarHBondContact O-N 2.79Å
720	V	40.9	Very low	58.1	Low	124 Å²	124	104.3 Å²	104.3	75%	0.752	56%	0.564	S	S	*	*			trans	-99.2	113.8	174	-172.7	0	0	0	0	108.8	S722	V720-S722 PolarHBondContact O-N 2.89Å
721	S	53.2	Low	61.1	Low	69 Å²	69	94.7 Å²	94.7	48%	0.483	52%	0.522	S	S	.	.			trans	-51.6	134.4	170.1	-172.9	0	0	0	0	109.1	D725	S721-D725 WeakPolarHBondContact OG-CB 3.39Å
722	S	71.9	Confident	64.4	Low	45 Å²	45	92.8 Å²	92.8	32%	0.315	51%	0.508	S	S	.	.			trans	-61.3	144.7	178.5	-173.9	0	0	0	0	109.5	V720 I724 D725 I726	V720-S722 PolarHBondContact O-N 2.89Å; S722-I724 PolarHBondContact O-N 3.24Å; S722-I724 VanDerWaalsContact O-N 3.14Å; S722-D725 WeakPolarHBondContact CB-OD2 3.2Å; S722-D725 PolarHBondContact N-OD2 3.49Å; S722-D725 VanDerWaalsContact N-OD2 3.13Å; S722-D725 WeakPolarHBondContact O-CB 3.42Å; S722-D725 PolarHBondContact O-N 3Å; S722-I726 PolarHBondContact O-N 2.91Å
723	R	80.6	Confident	67.6	Low	154 Å²	154	92.1 Å²	92.1	58%	0.581	49%	0.494	S	S	*	.	H	α-helix	trans	-56.6	-32.6	-179.3	-72	-175.9	179.7	176.4	-0.5	112.3	S702 D725 I726 L727	S702-R723 PolarHBondContact O-NH1 3.46Å; R723-D725 VanDerWaalsContact C-N 3.33Å; R723-I726 PolarHBondContact O-N 3.36Å; R723-L727 PolarHBondContact O-N 3.37Å
724	I	89.3	Confident	70.8	Confident	3 Å²	3	83.4 Å²	83.4	2%	0.015	45%	0.454	C	S	.	.	H	α-helix	trans	-67.9	-31.7	175	-168.9	62.4	0	0	0	112.6	L703 S722 I726 L727 R728 Y784	L703-I724 HydrophobicContact CD2-CB 4.13Å; L703-I724 HydrophobicContact CD2-CD1 3.8Å; S722-I724 PolarHBondContact O-N 3.24Å; S722-I724 VanDerWaalsContact O-N 3.14Å; I724-I726 VanDerWaalsContact C-N 3.28Å; I724-I726 PolarHBondContact O-N 3.08Å; I724-L727 PolarHBondContact O-N 3.44Å; I724-R728 HydrophobicContact CG1-CG 4.45Å; I724-R728 WeakPolarHBondContact O-CG 3.09Å; I724-R728 PolarHBondContact O-N 2.91Å; I724-Y784 HydrophobicContact CB-CD1 3.74Å; I724-Y784 HydrophobicContact CB-CD2 4.46Å; I724-Y784 HydrophobicContact CB-CE1 3.66Å; I724-Y784 HydrophobicContact CB-CE2 4.39Å; I724-Y784 HydrophobicContact CB-CG 4.15Å; I724-Y784 HydrophobicContact CD1-CD1 4.2Å; I724-Y784 HydrophobicContact CD1-CD2 4.46Å; I724-Y784 HydrophobicContact CD1-CG 3.94Å; I724-Y784 HydrophobicContact CG1-CD1 3.6Å; I724-Y784 HydrophobicContact CG1-CE1 4.06Å; I724-Y784 HydrophobicContact CG1-CG 3.88Å; I724-Y784 HydrophobicContact CG2-CD1 3.81Å; I724-Y784 HydrophobicContact CG2-CE1 3.38Å
725	D	89.9	Confident	73.8	Confident	64 Å²	64	76.4 Å²	76.4	34%	0.342	42%	0.424	S	S	.	.	H	α-helix	trans	-67.5	-34.4	-178.9	-59.7	-33.9	0	0	0	110.7	S721 S722 R723 R728 L729	S721-D725 WeakPolarHBondContact OG-CB 3.39Å; S722-D725 WeakPolarHBondContact CB-OD2 3.2Å; S722-D725 PolarHBondContact N-OD2 3.49Å; S722-D725 VanDerWaalsContact N-OD2 3.13Å; S722-D725 WeakPolarHBondContact O-CB 3.42Å; S722-D725 PolarHBondContact O-N 3Å; R723-D725 VanDerWaalsContact C-N 3.33Å; D725-R728 PolarHBondContact O-N 2.72Å; D725-R728 IonicContact OD1-NH1 3.88Å; D725-R728 PolarHBondContact OD1-NH1 3.26Å; D725-L729 WeakPolarHBondContact O-CB 3.33Å; D725-L729 PolarHBondContact O-N 3.24Å
726	I	92.6	Very high	77.1	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.2	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-47.2	172.4	-58.8	173	0	0	0	110	P642 E643 S722 R723 I724 R728 L729 L730	P642-I726 HydrophobicContact CB-CG2 4.48Å; E643-I726 HydrophobicContact CB-CD1 4.29Å; E643-I726 HydrophobicContact CB-CG2 4.46Å; S722-I726 PolarHBondContact O-N 2.91Å; R723-I726 PolarHBondContact O-N 3.36Å; I724-I726 VanDerWaalsContact C-N 3.28Å; I724-I726 PolarHBondContact O-N 3.08Å; I726-R728 PolarHBondContact O-N 3.26Å; I726-L729 WeakPolarHBondContact O-CB 3.41Å; I726-L729 PolarHBondContact O-N 3.42Å; I726-L730 HydrophobicContact CG2-CD1 4.37Å; I726-L730 WeakPolarHBondContact O-CG 3.41Å; I726-L730 PolarHBondContact O-N 2.82Å
727	L	93.6	Very high	80.3	Confident	10 Å²	10	68.8 Å²	68.8	5%	0.052	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-36.7	179.2	-58.4	-175.3	0	0	0	112.6	P642 L696 L703 R723 I724 L729 L730 L731	P642-L727 HydrophobicContact CB-CD2 3.66Å; P642-L727 HydrophobicContact CG-CD2 4.21Å; L696-L727 HydrophobicContact CD2-CB 4.32Å; L696-L727 HydrophobicContact CD2-CD2 4.47Å; L696-L727 WeakPolarHBondContact CD2-O 3.33Å; L703-L727 HydrophobicContact CD1-CD1 3.33Å; L703-L727 HydrophobicContact CD2-CD1 4Å; L703-L727 HydrophobicContact CG-CD1 3.82Å; R723-L727 PolarHBondContact O-N 3.37Å; I724-L727 PolarHBondContact O-N 3.44Å; L727-L729 VanDerWaalsContact C-N 3.35Å; L727-L730 HydrophobicContact CD2-CD1 4.22Å; L727-L730 PolarHBondContact O-N 2.85Å; L727-L731 WeakPolarHBondContact O-CB 3.18Å; L727-L731 PolarHBondContact O-N 3.06Å
728	R	94.9	Very high	83.5	Confident	90 Å²	90	61.5 Å²	61.5	34%	0.34	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.2	-72.3	172	-179.1	158.4	-6.3	111.7	I724 D725 I726 L731 Q732	I724-R728 HydrophobicContact CG1-CG 4.45Å; I724-R728 WeakPolarHBondContact O-CG 3.09Å; I724-R728 PolarHBondContact O-N 2.91Å; D725-R728 PolarHBondContact O-N 2.72Å; D725-R728 IonicContact OD1-NH1 3.88Å; D725-R728 PolarHBondContact OD1-NH1 3.26Å; I726-R728 PolarHBondContact O-N 3.26Å; R728-L731 PolarHBondContact O-N 3.09Å; R728-Q732 WeakPolarHBondContact O-CG 3.29Å; R728-Q732 PolarHBondContact O-N 3.41Å
729	L	96.3	Very high	86.7	Confident	88 Å²	88	57.6 Å²	57.6	46%	0.461	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-44.8	174.8	178.4	64.1	0	0	0	111.5	D725 I726 L727 L731 Q732 Q733	D725-L729 WeakPolarHBondContact O-CB 3.33Å; D725-L729 PolarHBondContact O-N 3.24Å; I726-L729 WeakPolarHBondContact O-CB 3.41Å; I726-L729 PolarHBondContact O-N 3.42Å; L727-L729 VanDerWaalsContact C-N 3.35Å; L729-L731 VanDerWaalsContact C-N 3.3Å; L729-L731 PolarHBondContact O-N 3.22Å; L729-Q732 PolarHBondContact O-N 2.86Å; L729-Q733 WeakPolarHBondContact O-CG 3.49Å; L729-Q733 PolarHBondContact O-N 3.31Å
730	L	97	Very high	89.6	Confident	3 Å²	3	57 Å²	57	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-36.8	176.3	-67.3	175.5	0	0	0	112.2	P642 L692 R695 L696 I726 L727 Q733 L734	P642-L730 HydrophobicContact CB-CD1 4.06Å; P642-L730 WeakPolarHBondContact O-CD1 3.29Å; L692-L730 HydrophobicContact CD2-CD2 3.81Å; R695-L730 HydrophobicContact CB-CD1 4.06Å; L696-L730 HydrophobicContact CD2-CB 3.71Å; L696-L730 HydrophobicContact CG-CB 4Å; I726-L730 HydrophobicContact CG2-CD1 4.37Å; I726-L730 WeakPolarHBondContact O-CG 3.41Å; I726-L730 PolarHBondContact O-N 2.82Å; L727-L730 HydrophobicContact CD2-CD1 4.22Å; L727-L730 PolarHBondContact O-N 2.85Å; L730-Q733 PolarHBondContact O-N 2.84Å; L730-L734 WeakPolarHBondContact O-CB 3.43Å; L730-L734 PolarHBondContact O-N 3.47Å
731	L	97.4	Very high	92.3	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-43.7	175.8	-174.3	58.1	0	0	0	111.3	L696 L727 R728 L729 Q733 L734 E735 I774 F777 Y778	L696-L731 HydrophobicContact CD1-CD1 4.48Å; L696-L731 HydrophobicContact CD2-CB 4.45Å; L727-L731 WeakPolarHBondContact O-CB 3.18Å; L727-L731 PolarHBondContact O-N 3.06Å; R728-L731 PolarHBondContact O-N 3.09Å; L729-L731 VanDerWaalsContact C-N 3.3Å; L729-L731 PolarHBondContact O-N 3.22Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; L731-Q733 PolarHBondContact O-N 2.87Å; L731-L734 PolarHBondContact O-N 3.45Å; L731-E735 WeakPolarHBondContact O-CG 3.31Å; L731-E735 PolarHBondContact O-N 3.32Å; L731-I774 HydrophobicContact CD1-CD1 3.63Å; L731-F777 HydrophobicContact CD1-CB 3.64Å; L731-F777 HydrophobicContact CD1-CD2 4.35Å; L731-F777 HydrophobicContact CD1-CG 4.39Å; L731-F777 HydrophobicContact CD2-CB 4.18Å; L731-Y778 HydrophobicContact CD2-CD1 3.79Å; L731-Y778 HydrophobicContact CD2-CD2 4.21Å; L731-Y778 HydrophobicContact CD2-CE1 3.78Å; L731-Y778 HydrophobicContact CD2-CE2 4.21Å; L731-Y778 HydrophobicContact CD2-CG 4Å
732	Q	97.8	Very high	94.4	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	26%	0.261	S	S	*	.	H	α-helix	trans	-61.5	-42.1	173.9	-70	174.1	-1.6	0	0	112.1	R728 L729 L734 E735 A736	R728-Q732 WeakPolarHBondContact O-CG 3.29Å; R728-Q732 PolarHBondContact O-N 3.41Å; L729-Q732 PolarHBondContact O-N 2.86Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.39Å; Q732-E735 PolarHBondContact O-N 2.95Å; Q732-A736 WeakPolarHBondContact O-CB 3.46Å; Q732-A736 PolarHBondContact O-N 2.91Å
733	Q	98.1	Very high	95.6	Very high	86 Å²	86	57.6 Å²	57.6	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-38.8	175.4	-70.5	179.8	19.8	0	0	111.7	L692 L729 L730 L731 A736 A737	L692-Q733 HydrophobicContact CD1-CB 4.06Å; L692-Q733 HydrophobicContact CD2-CB 4.12Å; L729-Q733 WeakPolarHBondContact O-CG 3.49Å; L729-Q733 PolarHBondContact O-N 3.31Å; L730-Q733 PolarHBondContact O-N 2.84Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; L731-Q733 PolarHBondContact O-N 2.87Å; Q733-A736 PolarHBondContact O-N 2.68Å; Q733-A737 WeakPolarHBondContact O-CB 3.27Å; Q733-A737 PolarHBondContact O-N 2.96Å
734	L	98.3	Very high	96.5	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-46.4	177.7	179.2	61	0	0	0	110.9	I689 L692 L696 L730 L731 Q732 A736 A737 L738 I774 F777	I689-L734 HydrophobicContact CB-CD1 4.32Å; I689-L734 HydrophobicContact CG1-CD1 4.44Å; I689-L734 HydrophobicContact CG2-CD1 4.03Å; L692-L734 HydrophobicContact CB-CB 4.25Å; L692-L734 HydrophobicContact CB-CD1 4.05Å; L692-L734 HydrophobicContact CD1-CB 4.18Å; L692-L734 HydrophobicContact CD1-CD1 4.41Å; L696-L734 HydrophobicContact CD1-CB 4.37Å; L696-L734 HydrophobicContact CD1-CD2 3.62Å; L730-L734 WeakPolarHBondContact O-CB 3.43Å; L730-L734 PolarHBondContact O-N 3.47Å; L731-L734 PolarHBondContact O-N 3.45Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.39Å; L734-A736 VanDerWaalsContact C-N 3.35Å; L734-A736 PolarHBondContact O-N 3.2Å; L734-A737 PolarHBondContact O-N 2.73Å; L734-L738 HydrophobicContact CD1-CD1 4.31Å; L734-L738 HydrophobicContact CD1-CG 4.17Å; L734-L738 HydrophobicContact CG-CD1 4.04Å; L734-L738 HydrophobicContact CG-CG 4.36Å; L734-L738 WeakPolarHBondContact O-CB 3.47Å; L734-L738 VanDerWaalsContact O-CG 3.24Å; L734-L738 WeakPolarHBondContact O-CG 3.25Å; L734-L738 PolarHBondContact O-N 2.93Å; L734-I774 HydrophobicContact CB-CD1 4.44Å; L734-I774 HydrophobicContact CD2-CD1 3.6Å; L734-I774 HydrophobicContact CG-CD1 3.83Å; L734-F777 HydrophobicContact CD2-CD2 4.43Å; L734-F777 HydrophobicContact CD2-CE2 4.4Å
735	E	98	Very high	96.9	Very high	65 Å²	65	53.2 Å²	53.2	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-44.9	175.6	-71.9	-176.7	138.5	0	0	112.4	L731 Q732 A737 L738 E739 I774 Y778	L731-E735 WeakPolarHBondContact O-CG 3.31Å; L731-E735 PolarHBondContact O-N 3.32Å; Q732-E735 PolarHBondContact O-N 2.95Å; E735-A737 VanDerWaalsContact C-N 3.32Å; E735-A737 PolarHBondContact O-N 3.21Å; E735-L738 PolarHBondContact O-N 3.42Å; E735-E739 WeakPolarHBondContact O-CB 3.39Å; E735-E739 PolarHBondContact O-N 2.84Å; E735-I774 HydrophobicContact CG-CD1 3.87Å; E735-I774 HydrophobicContact CG-CG2 4.33Å; E735-Y778 WeakPolarHBondContact OE1-CE2 3.4Å; E735-Y778 VanDerWaalsContact OE1-CZ 3.27Å; E735-Y778 PolarHBondContact OE1-OH 3.17Å; E735-Y778 PolarHBondContact OE2-OH 3.41Å
736	A	98.3	Very high	97.2	Very high	56 Å²	56	56.5 Å²	56.5	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-40.3	175.6	0	0	0	0	0	112.2	Q732 Q733 L734 T740	Q732-A736 WeakPolarHBondContact O-CB 3.46Å; Q732-A736 PolarHBondContact O-N 2.91Å; Q733-A736 PolarHBondContact O-N 2.68Å; L734-A736 VanDerWaalsContact C-N 3.35Å; L734-A736 PolarHBondContact O-N 3.2Å; A736-T740 WeakPolarHBondContact O-CB 3.38Å; A736-T740 PolarHBondContact O-N 3.4Å; A736-T740 PolarHBondContact O-OG1 3.05Å
737	A	98.2	Very high	97.3	Very high	5 Å²	5	60 Å²	60	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-41.6	175.9	0	0	0	0	0	112	R688 I689 L692 Q733 L734 E735 T740 G741	R688-A737 HydrophobicContact CG-CB 4.42Å; I689-A737 HydrophobicContact CG1-CB 4.11Å; L692-A737 HydrophobicContact CD1-CB 4.34Å; Q733-A737 WeakPolarHBondContact O-CB 3.27Å; Q733-A737 PolarHBondContact O-N 2.96Å; L734-A737 PolarHBondContact O-N 2.73Å; E735-A737 VanDerWaalsContact C-N 3.32Å; E735-A737 PolarHBondContact O-N 3.21Å; A737-T740 PolarHBondContact O-N 2.97Å; A737-G741 PolarHBondContact O-N 3.37Å
738	L	98.3	Very high	97.4	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-43	176.6	-69.2	170.4	0	0	0	111.7	I689 L734 E735 G741 K742 F764 F765 I774	I689-L738 HydrophobicContact CD1-CD2 3.86Å; I689-L738 HydrophobicContact CG1-CD2 3.97Å; I689-L738 HydrophobicContact CG1-CG 4.49Å; I689-L738 HydrophobicContact CG2-CD2 3.91Å; L734-L738 HydrophobicContact CD1-CD1 4.31Å; L734-L738 HydrophobicContact CD1-CG 4.17Å; L734-L738 HydrophobicContact CG-CD1 4.04Å; L734-L738 HydrophobicContact CG-CG 4.36Å; L734-L738 WeakPolarHBondContact O-CB 3.47Å; L734-L738 VanDerWaalsContact O-CG 3.24Å; L734-L738 WeakPolarHBondContact O-CG 3.25Å; L734-L738 PolarHBondContact O-N 2.93Å; E735-L738 PolarHBondContact O-N 3.42Å; L738-G741 PolarHBondContact O-N 2.87Å; L738-K742 WeakPolarHBondContact O-CB 3.44Å; L738-K742 PolarHBondContact O-N 3.18Å; L738-F764 HydrophobicContact CD2-CD1 4.35Å; L738-F764 HydrophobicContact CD2-CE1 3.83Å; L738-F765 HydrophobicContact CB-CE1 4.33Å; L738-F765 HydrophobicContact CD2-CE1 3.74Å; L738-F765 HydrophobicContact CD2-CZ 4.42Å; L738-F765 WeakPolarHBondContact O-CZ 3.32Å; L738-I774 HydrophobicContact CD1-CD1 3.72Å; L738-I774 HydrophobicContact CD1-CG1 3.57Å
739	E	97.9	Very high	97.4	Very high	80 Å²	80	62.8 Å²	62.8	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-41.7	176.7	178.3	58.7	-161.9	0	0	111.6	E735 K742 R743	E735-E739 WeakPolarHBondContact O-CB 3.39Å; E735-E739 PolarHBondContact O-N 2.84Å; E739-K742 PolarHBondContact O-N 3.05Å; E739-R743 WeakPolarHBondContact O-CG 3.11Å; E739-R743 PolarHBondContact O-N 3.35Å; E739-R743 IonicContact OE1-CZ 3.79Å; E739-R743 VanDerWaalsContact OE1-CZ 3.32Å; E739-R743 IonicContact OE1-NE 3.98Å; E739-R743 PolarHBondContact OE1-NE 2.95Å; E739-R743 IonicContact OE1-NH2 2.59Å; E739-R743 PolarHBondContact OE1-NH2 3.13Å
740	T	98.3	Very high	97.2	Very high	67 Å²	67	64.5 Å²	64.5	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173.9	-56.2	0	0	0	0	111.1	L685 A736 A737 K742 R743 F744	L685-T740 HydrophobicContact CD1-CG2 4.36Å; L685-T740 HydrophobicContact CD2-CG2 3.75Å; A736-T740 WeakPolarHBondContact O-CB 3.38Å; A736-T740 PolarHBondContact O-N 3.4Å; A736-T740 PolarHBondContact O-OG1 3.05Å; A737-T740 PolarHBondContact O-N 2.97Å; T740-K742 VanDerWaalsContact C-N 3.35Å; T740-K742 PolarHBondContact O-N 3.49Å; T740-R743 PolarHBondContact O-N 3.15Å; T740-F744 PolarHBondContact O-N 3.48Å
741	G	98.1	Very high	97.1	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-41.6	175.4	0	0	0	0	0	112.4	A737 L738 F744 I745 M761 F765	A737-G741 PolarHBondContact O-N 3.37Å; L738-G741 PolarHBondContact O-N 2.87Å; G741-F744 WeakPolarHBondContact O-CB 3.39Å; G741-F744 PolarHBondContact O-N 3.16Å; G741-F744 VanDerWaalsContact O-N 3.12Å; G741-I745 WeakPolarHBondContact O-CG1 3.25Å; G741-I745 PolarHBondContact O-N 3.06Å; G741-M761 VanDerWaalsContact CA-SD 3.57Å; G741-F765 VanDerWaalsContact C-CE2 3.48Å
742	K	97.5	Very high	97	Very high	105 Å²	105	65.8 Å²	65.8	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-46.7	178.1	-169.9	179.3	178	-174.2	0	111.7	L738 E739 T740 F744 I745 E746 F765	L738-K742 WeakPolarHBondContact O-CB 3.44Å; L738-K742 PolarHBondContact O-N 3.18Å; E739-K742 PolarHBondContact O-N 3.05Å; T740-K742 VanDerWaalsContact C-N 3.35Å; T740-K742 PolarHBondContact O-N 3.49Å; K742-F744 PolarHBondContact O-N 3.47Å; K742-I745 PolarHBondContact O-N 3.39Å; K742-E746 WeakPolarHBondContact O-CG 3.43Å; K742-E746 PolarHBondContact O-N 3.43Å; K742-F765 HydrophobicContact CB-CE2 4.23Å; K742-F765 HydrophobicContact CB-CZ 4.39Å
743	R	97.9	Very high	96.9	Very high	146 Å²	146	61 Å²	61	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-62.4	-31.6	173.4	-66.8	176.6	-164.7	174	4.3	112.8	E739 T740	E739-R743 WeakPolarHBondContact O-CG 3.11Å; E739-R743 PolarHBondContact O-N 3.35Å; E739-R743 IonicContact OE1-CZ 3.79Å; E739-R743 VanDerWaalsContact OE1-CZ 3.32Å; E739-R743 IonicContact OE1-NE 3.98Å; E739-R743 PolarHBondContact OE1-NE 2.95Å; E739-R743 IonicContact OE1-NH2 2.59Å; E739-R743 PolarHBondContact OE1-NH2 3.13Å; T740-R743 PolarHBondContact O-N 3.15Å
744	F	98.2	Very high	96.8	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-46.1	173.7	-177.2	-83.2	0	0	0	111.2	L678 E681 E682 L685 T740 G741 K742 E746 K747 I749 M761	L678-F744 HydrophobicContact CB-CZ 4.42Å; L678-F744 HydrophobicContact CD2-CE2 4.1Å; L678-F744 HydrophobicContact CD2-CZ 4.48Å; E681-F744 HydrophobicContact CB-CE2 4.23Å; E681-F744 HydrophobicContact CG-CD2 4.25Å; E681-F744 HydrophobicContact CG-CE2 4.01Å; E681-F744 WeakPolarHBondContact OE1-CD2 3.29Å; E682-F744 HydrophobicContact CB-CD1 4.44Å; E682-F744 HydrophobicContact CB-CE1 3.64Å; E682-F744 HydrophobicContact CB-CZ 3.71Å; E682-F744 HydrophobicContact CG-CD1 4.03Å; E682-F744 HydrophobicContact CG-CE1 3.49Å; E682-F744 VanDerWaalsContact CG-CE1 3.49Å; E682-F744 HydrophobicContact CG-CZ 4.11Å; L685-F744 HydrophobicContact CD1-CB 4.11Å; L685-F744 HydrophobicContact CD1-CD2 4.22Å; L685-F744 HydrophobicContact CD1-CG 4.21Å; T740-F744 PolarHBondContact O-N 3.48Å; G741-F744 WeakPolarHBondContact O-CB 3.39Å; G741-F744 PolarHBondContact O-N 3.16Å; G741-F744 VanDerWaalsContact O-N 3.12Å; K742-F744 PolarHBondContact O-N 3.47Å; F744-E746 VanDerWaalsContact C-N 3.28Å; F744-E746 PolarHBondContact O-N 2.87Å; F744-K747 HydrophobicContact CD2-CD 4.38Å; F744-K747 VanDerWaalsContact O-CB 3.25Å; F744-K747 WeakPolarHBondContact O-CB 3.14Å; F744-K747 WeakPolarHBondContact O-CG 3.48Å; F744-K747 PolarHBondContact O-N 3.17Å; F744-K747 VanDerWaalsContact O-N 3.08Å; F744-I749 HydrophobicContact CD1-CD1 4.42Å; F744-I749 HydrophobicContact CE1-CD1 3.65Å; F744-I749 HydrophobicContact CE2-CD1 3.85Å; F744-I749 HydrophobicContact CZ-CD1 3.31Å; F744-M761 HydrophobicContact CB-CE 4.31Å; F744-M761 HydrophobicContact CD1-CE 3.83Å; F744-M761 HydrophobicContact CG-CE 4.33Å
745	I	97.6	Very high	96.6	Very high	58 Å²	58	57.1 Å²	57.1	30%	0.297	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-34.1	177.5	-61.9	-58.5	0	0	0	111.7	G741 K742 K747 D748 M761 F765	G741-I745 WeakPolarHBondContact O-CG1 3.25Å; G741-I745 PolarHBondContact O-N 3.06Å; K742-I745 PolarHBondContact O-N 3.39Å; I745-K747 PolarHBondContact O-N 3.14Å; I745-K747 VanDerWaalsContact O-N 3.12Å; I745-D748 PolarHBondContact O-N 3.42Å; I745-D748 VanDerWaalsContact O-N 3.08Å; I745-M761 HydrophobicContact CD1-CB 4.44Å; I745-M761 HydrophobicContact CD1-CE 3.85Å; I745-M761 HydrophobicContact CG1-CE 4.06Å; I745-M761 HydrophobicContact CG1-CG 4.43Å; I745-F765 HydrophobicContact CG1-CD2 4.02Å; I745-F765 HydrophobicContact CG1-CE2 3.99Å
746	E	96.8	Very high	96.5	Very high	133 Å²	133	54 Å²	54	62%	0.621	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.9	174.5	-72.3	168.8	-174.3	0	0	113.9	K742 F744 D748	K742-E746 WeakPolarHBondContact O-CG 3.43Å; K742-E746 PolarHBondContact O-N 3.43Å; F744-E746 VanDerWaalsContact C-N 3.28Å; F744-E746 PolarHBondContact O-N 2.87Å; E746-D748 PolarHBondContact O-N 3.47Å
747	K	95.5	Very high	96.4	Very high	113 Å²	113	51.6 Å²	51.6	49%	0.491	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.2	173.8	-58.9	174.5	-175.1	171.5	0	113.4	E681 F744 I745 I749	E681-K747 IonicContact OE1-NZ 2.77Å; F744-K747 HydrophobicContact CD2-CD 4.38Å; F744-K747 VanDerWaalsContact O-CB 3.25Å; F744-K747 WeakPolarHBondContact O-CB 3.14Å; F744-K747 WeakPolarHBondContact O-CG 3.48Å; F744-K747 PolarHBondContact O-N 3.17Å; F744-K747 VanDerWaalsContact O-N 3.08Å; I745-K747 PolarHBondContact O-N 3.14Å; I745-K747 VanDerWaalsContact O-N 3.12Å; K747-I749 HydrophobicContact CB-CD1 4.25Å; K747-I749 HydrophobicContact CB-CG1 4.04Å; K747-I749 HydrophobicContact CD-CD1 4.36Å; K747-I749 PolarHBondContact O-N 3.39Å
748	D	94.8	Very high	96.2	Very high	117 Å²	117	54.5 Å²	54.5	63%	0.626	26%	0.263	S	S	*	.			trans	47.9	53.2	178.6	-166	19.1	0	0	0	114	I745 E746 Q750	I745-D748 PolarHBondContact O-N 3.42Å; I745-D748 VanDerWaalsContact O-N 3.08Å; E746-D748 PolarHBondContact O-N 3.47Å; D748-Q750 PolarHBondContact O-N 2.99Å; D748-Q750 PolarHBondContact OD1-NE2 2.84Å
749	I	94.8	Very high	96.1	Very high	42 Å²	42	54.2 Å²	54.2	22%	0.215	26%	0.263	C	S	.	.			trans	-71.5	126.7	-177.9	-60.3	156.8	0	0	0	109.7	L678 F744 K747 Y751	L678-I749 HydrophobicContact CB-CD1 4.34Å; L678-I749 HydrophobicContact CD1-CD1 3.99Å; L678-I749 HydrophobicContact CD1-CG1 4.24Å; L678-I749 HydrophobicContact CD1-CG2 4.02Å; L678-I749 HydrophobicContact CD2-CD1 3.99Å; L678-I749 HydrophobicContact CG-CD1 4.34Å; F744-I749 HydrophobicContact CD1-CD1 4.42Å; F744-I749 HydrophobicContact CE1-CD1 3.65Å; F744-I749 HydrophobicContact CE2-CD1 3.85Å; F744-I749 HydrophobicContact CZ-CD1 3.31Å; K747-I749 HydrophobicContact CB-CD1 4.25Å; K747-I749 HydrophobicContact CB-CG1 4.04Å; K747-I749 HydrophobicContact CD-CD1 4.36Å; K747-I749 PolarHBondContact O-N 3.39Å; I749-Y751 HydrophobicContact CG2-CD1 4.11Å; I749-Y751 HydrophobicContact CG2-CE1 3.74Å; I749-Y751 HydrophobicContact CG2-CE2 4.4Å
750	Q	92.8	Very high	96.1	Very high	123 Å²	123	50.6 Å²	50.6	58%	0.575	25%	0.245	S	C	*	.			trans	-102.8	103.8	178.8	-66.3	-62.6	-34.5	0	0	111	D748	D748-Q750 PolarHBondContact O-N 2.99Å; D748-Q750 PolarHBondContact OD1-NE2 2.84Å
751	Y	95.1	Very high	96.1	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.055	23%	0.226	C	C	.	.			trans	-78	143.9	175.4	-60.2	-63.1	0	0	0	112.2	R480 H675 L678 S679 E682 I749 P756 P758	R480-Y751 PolarHBondContact NH1-O 3.06Å; R480-Y751 PolarHBondContact NH2-O 3.41Å; H675-Y751 HydrophobicContact CB-CD1 4.29Å; L678-Y751 HydrophobicContact CB-CE1 4.34Å; S679-Y751 PolarHBondContact N-OH 3.33Å; E682-Y751 WeakPolarHBondContact OE2-CE2 3.4Å; E682-Y751 PolarHBondContact OE2-OH 3.26Å; I749-Y751 HydrophobicContact CG2-CD1 4.11Å; I749-Y751 HydrophobicContact CG2-CE1 3.74Å; I749-Y751 HydrophobicContact CG2-CE2 4.4Å; Y751-P756 HydrophobicContact CD1-CG 3.65Å; Y751-P756 HydrophobicContact CE1-CG 3.93Å; Y751-P756 HydrophobicContact CG-CG 4.13Å; Y751-P758 HydrophobicContact CD2-CB 3.94Å; Y751-P758 HydrophobicContact CD2-CG 4.38Å; Y751-P758 HydrophobicContact CE2-CB 3.97Å
752	P	95.2	Very high	96	Very high	22 Å²	22	48.1 Å²	48.1	14%	0.143	23%	0.233	C	C	.	.			trans	-57.4	153.8	168.6	-24.4	34.4	0	0	0	111.8	R480 R669 H675 L754 G755	R480-P752 VanDerWaalsContact NH1-C 3.34Å; R669-P752 WeakPolarHBondContact O-CB 3.49Å; R669-P752 WeakPolarHBondContact O-CG 3.31Å; H675-P752 WeakPolarHBondContact ND1-CD 3.32Å; P752-L754 VanDerWaalsContact C-N 3.29Å; P752-L754 PolarHBondContact O-N 2.95Å; P752-G755 PolarHBondContact O-N 2.95Å
753	F	95.7	Very high	96	Very high	21 Å²	21	43.8 Å²	43.8	9%	0.092	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-41.6	-173.1	164.5	-109.8	0	0	0	111.2	I476 L511 R514 I515 M518 G755	I476-F753 HydrophobicContact CB-CD1 4.47Å; I476-F753 HydrophobicContact CB-CE1 4.45Å; I476-F753 HydrophobicContact CD1-CZ 4.37Å; I476-F753 HydrophobicContact CG1-CE1 4.18Å; I476-F753 HydrophobicContact CG1-CZ 4.18Å; I476-F753 HydrophobicContact CG2-CB 4.12Å; I476-F753 HydrophobicContact CG2-CD1 3.63Å; I476-F753 HydrophobicContact CG2-CD2 3.62Å; I476-F753 HydrophobicContact CG2-CE1 3.89Å; I476-F753 HydrophobicContact CG2-CE2 3.86Å; I476-F753 HydrophobicContact CG2-CG 3.5Å; I476-F753 VanDerWaalsContact CG2-CG 3.5Å; I476-F753 HydrophobicContact CG2-CZ 4Å; L511-F753 HydrophobicContact CD2-CE1 3.88Å; L511-F753 HydrophobicContact CD2-CZ 4.42Å; R514-F753 HydrophobicContact CG-CE2 4.39Å; R514-F753 HydrophobicContact CG-CZ 4.39Å; R514-F753 PolarHBondContact NE-O 3.24Å; R514-F753 PolarHBondContact NH2-O 3.36Å; I515-F753 HydrophobicContact CD1-CZ 4.43Å; I515-F753 HydrophobicContact CG1-CE2 4.37Å; I515-F753 HydrophobicContact CG1-CZ 3.81Å; M518-F753 HydrophobicContact CE-CD2 4.5Å; M518-F753 HydrophobicContact SD-CD2 3.85Å; M518-F753 HydrophobicContact SD-CE2 3.55Å; M518-F753 VanDerWaalsContact SD-CE2 3.55Å; F753-G755 VanDerWaalsContact C-N 3.3Å
754	L	95.5	Very high	96	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.047	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.7	178.5	-56.2	178.1	0	0	0	113.4	L511 F661 P752	L511-L754 HydrophobicContact CD2-CD2 3.52Å; F661-L754 HydrophobicContact CB-CB 3.99Å; F661-L754 HydrophobicContact CB-CD1 4.26Å; F661-L754 HydrophobicContact CB-CD2 4.03Å; F661-L754 HydrophobicContact CB-CG 4.31Å; F661-L754 HydrophobicContact CD1-CD2 4.06Å; F661-L754 HydrophobicContact CG-CB 4.42Å; F661-L754 HydrophobicContact CG-CD2 4.13Å; P752-L754 VanDerWaalsContact C-N 3.29Å; P752-L754 PolarHBondContact O-N 2.95Å
755	G	94.7	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-80.5	-159.3	-174.8	0	0	0	0	0	114.4	R514 P752 F753	R514-G755 PolarHBondContact NH1-O 2.96Å; R514-G755 PolarHBondContact NH2-O 3.18Å; P752-G755 PolarHBondContact O-N 2.95Å; F753-G755 VanDerWaalsContact C-N 3.3Å
756	P	96.4	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.1	141.6	170.4	24.4	-31.3	0	0	0	110.9	L658 H675 S679 Y751	L658-P756 HydrophobicContact CD1-CB 4.29Å; L658-P756 HydrophobicContact CD2-CB 4.29Å; H675-P756 HydrophobicContact CB-CG 4.48Å; S679-P756 WeakPolarHBondContact OG-CB 3.5Å; Y751-P756 HydrophobicContact CD1-CG 3.65Å; Y751-P756 HydrophobicContact CE1-CG 3.93Å; Y751-P756 HydrophobicContact CG-CG 4.13Å
757	V	94.4	Very high	95.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.024	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-81	125.5	175.6	175.1	0	0	0	0	107.9	R548 Y549	R548-V757 HydrophobicContact CG-CG1 4.13Å; Y549-V757 HydrophobicContact CE1-CG1 4.49Å; Y549-V757 HydrophobicContact CE2-CG1 3.97Å; Y549-V757 HydrophobicContact CE2-CG2 4.3Å; Y549-V757 WeakPolarHBondContact OH-CG1 3.45Å
758	P	94.9	Very high	95.7	Very high	66 Å²	66	29.9 Å²	29.9	43%	0.429	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-59.4	150.2	175.2	24.9	-32.8	0	0	0	110.6	R548 Y751	R548-P758 PolarHBondContact NE-O 3.46Å; R548-P758 PolarHBondContact NH2-O 3.26Å; Y751-P758 HydrophobicContact CD2-CB 3.94Å; Y751-P758 HydrophobicContact CD2-CG 4.38Å; Y751-P758 HydrophobicContact CE2-CB 3.97Å
759	T	97.1	Very high	95.7	Very high	12 Å²	12	24.3 Å²	24.3	7%	0.074	13%	0.134	C	C	.	.			trans	-76.7	175.2	-177	70.8	0	0	0	0	111.9	R548 E682 E683 W686 M761	R548-T759 PolarHBondContact NH2-O 2.95Å; E682-T759 HydrophobicContact CB-CG2 4.2Å; E682-T759 HydrophobicContact CG-CG2 3.72Å; E682-T759 WeakPolarHBondContact CG-OG1 3.49Å; E682-T759 WeakPolarHBondContact OE1-CB 3.48Å; E682-T759 PolarHBondContact OE1-N 3.43Å; E682-T759 PolarHBondContact OE1-OG1 3.48Å; E683-T759 VanDerWaalsContact CD-CG2 3.49Å; E683-T759 HydrophobicContact CG-CG2 3.99Å; E683-T759 WeakPolarHBondContact OE2-CG2 3.22Å; W686-T759 HydrophobicContact CB-CG2 4.23Å; T759-M761 PolarHBondContact O-N 3.02Å; T759-M761 WeakPolarHBondContact OG1-CB 3.45Å; T759-M761 PolarHBondContact OG1-N 3.49Å
760	R	96.8	Very high	95.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.015	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.3	174.9	-47.9	169.1	58.1	-168.3	-8.9	112.1	R548 E551 S552 G762 G763 F764 E839 F843 E846	R548-R760 VanDerWaalsContact CZ-CG 3.45Å; R548-R760 VanDerWaalsContact NH2-N 3.14Å; E551-R760 IonicContact OE1-NH1 3.83Å; E551-R760 PolarHBondContact OE1-NH1 3.26Å; S552-R760 VanDerWaalsContact OG-CD 3.31Å; S552-R760 WeakPolarHBondContact OG-CD 3.41Å; S552-R760 PolarHBondContact OG-NE 3.48Å; S552-R760 VanDerWaalsContact OG-NE 3.09Å; R760-G762 PolarHBondContact O-N 2.71Å; R760-G763 PolarHBondContact O-N 3.25Å; R760-F764 WeakPolarHBondContact O-CB 3.3Å; R760-F764 PolarHBondContact O-N 2.89Å; R760-E839 WeakPolarHBondContact CB-OE1 3.42Å; R760-E839 WeakPolarHBondContact CG-OE1 3.3Å; R760-E839 IonicContact NE-OE1 3.35Å; R760-F843 HydrophobicContact CB-CE1 4.37Å; R760-F843 HydrophobicContact CB-CZ 3.72Å; R760-F843 VanDerWaalsContact NH2-CE1 3.32Å; R760-F843 WeakPolarHBondContact O-CZ 3.42Å; R760-E846 IonicContact CZ-OE1 3.46Å; R760-E846 IonicContact NH1-OE1 2.95Å; R760-E846 PolarHBondContact NH1-OE1 3Å; R760-E846 IonicContact NH2-OE1 3.67Å; R760-E846 PolarHBondContact NH2-OE1 3.48Å
761	M	97.8	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-44	-171.5	-172.8	166	64.2	0	0	111.9	E682 L685 I689 G741 F744 I745 T759 F764 F765	E682-M761 HydrophobicContact CG-CE 3.76Å; L685-M761 HydrophobicContact CB-CE 4.46Å; L685-M761 HydrophobicContact CB-SD 4.11Å; L685-M761 HydrophobicContact CD1-CE 4.45Å; I689-M761 HydrophobicContact CD1-CG 4.42Å; I689-M761 HydrophobicContact CD1-SD 3.99Å; G741-M761 VanDerWaalsContact CA-SD 3.57Å; F744-M761 HydrophobicContact CB-CE 4.31Å; F744-M761 HydrophobicContact CD1-CE 3.83Å; F744-M761 HydrophobicContact CG-CE 4.33Å; I745-M761 HydrophobicContact CD1-CB 4.44Å; I745-M761 HydrophobicContact CD1-CE 3.85Å; I745-M761 HydrophobicContact CG1-CE 4.06Å; I745-M761 HydrophobicContact CG1-CG 4.43Å; T759-M761 PolarHBondContact O-N 3.02Å; T759-M761 WeakPolarHBondContact OG1-CB 3.45Å; T759-M761 PolarHBondContact OG1-N 3.49Å; M761-F764 WeakPolarHBondContact O-CB 3.27Å; M761-F764 PolarHBondContact O-N 3.18Å; M761-F765 HydrophobicContact CG-CD2 4.19Å; M761-F765 HydrophobicContact CG-CE2 3.39Å; M761-F765 HydrophobicContact CG-CZ 3.72Å; M761-F765 VanDerWaalsContact O-CD2 3.23Å; M761-F765 WeakPolarHBondContact O-CD2 3.45Å; M761-F765 PolarHBondContact O-N 3.4Å; M761-F765 HydrophobicContact SD-CE2 4.17Å; M761-F765 HydrophobicContact SD-CZ 4.29Å
762	G	96.8	Very high	95.9	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-46.8	175.6	0	0	0	0	0	112.6	R760 F764 F765 N766	R760-G762 PolarHBondContact O-N 2.71Å; G762-F764 VanDerWaalsContact C-N 3.33Å; G762-F764 PolarHBondContact O-N 3.15Å; G762-F765 PolarHBondContact O-N 3.24Å; G762-N766 VanDerWaalsContact O-CG 3.25Å; G762-N766 PolarHBondContact O-N 3.42Å; G762-N766 PolarHBondContact O-ND2 3Å
763	G	96.6	Very high	96	Very high	15 Å²	15	20 Å²	20	16%	0.155	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-37.2	175.8	0	0	0	0	0	113.2	R760 F765 N766 S767 F843	R760-G763 PolarHBondContact O-N 3.25Å; G763-F765 VanDerWaalsContact C-N 3.33Å; G763-F765 PolarHBondContact O-N 2.9Å; G763-N766 PolarHBondContact O-N 3.13Å; G763-S767 WeakPolarHBondContact O-CB 3.26Å; G763-S767 PolarHBondContact O-N 3.28Å; G763-S767 PolarHBondContact O-OG 3.39Å; G763-F843 VanDerWaalsContact C-CE2 3.49Å
764	F	97.9	Very high	96.1	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.057	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-37.1	178.2	-175.3	-121	0	0	0	112.8	I689 L738 R760 M761 G762 S767 C769 S770 F843	I689-F764 HydrophobicContact CG2-CE1 4.21Å; L738-F764 HydrophobicContact CD2-CD1 4.35Å; L738-F764 HydrophobicContact CD2-CE1 3.83Å; R760-F764 WeakPolarHBondContact O-CB 3.3Å; R760-F764 PolarHBondContact O-N 2.89Å; M761-F764 WeakPolarHBondContact O-CB 3.27Å; M761-F764 PolarHBondContact O-N 3.18Å; G762-F764 VanDerWaalsContact C-N 3.33Å; G762-F764 PolarHBondContact O-N 3.15Å; F764-S767 PolarHBondContact O-OG 3.14Å; F764-C769 HydrophobicContact CD2-CB 3.72Å; F764-C769 HydrophobicContact CE2-CB 3.49Å; F764-C769 VanDerWaalsContact CE2-CB 3.49Å; F764-C769 HydrophobicContact CZ-CB 4.41Å; F764-C769 PolarHBondContact O-N 2.61Å; F764-S770 VanDerWaalsContact CZ-CA 3.45Å; F764-F843 HydrophobicContact CB-CE1 4.02Å; F764-F843 HydrophobicContact CB-CE2 4.37Å; F764-F843 HydrophobicContact CB-CZ 3.74Å; F764-F843 AromaticContact CD2-CD1 3.91Å; F764-F843 HydrophobicContact CD2-CD1 3.91Å; F764-F843 AromaticContact CD2-CE1 3.79Å; F764-F843 HydrophobicContact CD2-CE1 3.79Å; F764-F843 HydrophobicContact CD2-CZ 4.32Å; F764-F843 HydrophobicContact CG-CE1 4.33Å
765	F	96.9	Very high	96.2	Very high	31 Å²	31	20.9 Å²	20.9	14%	0.136	12%	0.121	C	C	.	.	H	α-helix	trans	-74.7	-43.7	173.5	-59.2	-42.6	0	0	0	112.3	L738 G741 K742 I745 M761 G762 G763 S767 G768	L738-F765 HydrophobicContact CB-CE1 4.33Å; L738-F765 HydrophobicContact CD2-CE1 3.74Å; L738-F765 HydrophobicContact CD2-CZ 4.42Å; L738-F765 WeakPolarHBondContact O-CZ 3.32Å; G741-F765 VanDerWaalsContact C-CE2 3.48Å; K742-F765 HydrophobicContact CB-CE2 4.23Å; K742-F765 HydrophobicContact CB-CZ 4.39Å; I745-F765 HydrophobicContact CG1-CD2 4.02Å; I745-F765 HydrophobicContact CG1-CE2 3.99Å; M761-F765 HydrophobicContact CG-CD2 4.19Å; M761-F765 HydrophobicContact CG-CE2 3.39Å; M761-F765 HydrophobicContact CG-CZ 3.72Å; M761-F765 VanDerWaalsContact O-CD2 3.23Å; M761-F765 WeakPolarHBondContact O-CD2 3.45Å; M761-F765 PolarHBondContact O-N 3.4Å; M761-F765 HydrophobicContact SD-CE2 4.17Å; M761-F765 HydrophobicContact SD-CZ 4.29Å; G762-F765 PolarHBondContact O-N 3.24Å; G763-F765 VanDerWaalsContact C-N 3.33Å; G763-F765 PolarHBondContact O-N 2.9Å; F765-S767 VanDerWaalsContact C-N 3.34Å; F765-S767 PolarHBondContact O-N 3.12Å; F765-G768 PolarHBondContact O-N 3.4Å
766	N	95.1	Very high	96.3	Very high	118 Å²	118	20.9 Å²	20.9	63%	0.631	12%	0.121	S	C	*	.	H	α-helix	trans	-62.3	-40.5	-177.7	-71.8	-16.8	0	0	0	112.4	G762 G763 G768 K818	G762-N766 VanDerWaalsContact O-CG 3.25Å; G762-N766 PolarHBondContact O-N 3.42Å; G762-N766 PolarHBondContact O-ND2 3Å; G763-N766 PolarHBondContact O-N 3.13Å; N766-G768 PolarHBondContact O-N 3.01Å; N766-K818 PolarHBondContact O-NZ 2.95Å
767	S	94.6	Very high	96.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-26.3	175	57.2	0	0	0	0	113.1	G763 F764 F765 C769 K818	G763-S767 WeakPolarHBondContact O-CB 3.26Å; G763-S767 PolarHBondContact O-N 3.28Å; G763-S767 PolarHBondContact O-OG 3.39Å; F764-S767 PolarHBondContact O-OG 3.14Å; F765-S767 VanDerWaalsContact C-N 3.34Å; F765-S767 PolarHBondContact O-N 3.12Å; S767-C769 PolarHBondContact OG-SG 3.03Å; S767-K818 WeakPolarHBondContact O-CD 3.41Å
768	G	95.3	Very high	96.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	12.2	-175.9	0	0	0	0	0	114.3	F765 N766 Q771 C772	F765-G768 PolarHBondContact O-N 3.4Å; N766-G768 PolarHBondContact O-N 3.01Å; G768-Q771 VanDerWaalsContact O-CG 3.32Å; G768-Q771 WeakPolarHBondContact O-CG 3.39Å; G768-Q771 PolarHBondContact O-NE2 3.21Å; G768-C772 PolarHBondContact O-N 2.96Å
769	C	96	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-33.7	180	-72.6	0	0	0	0	112.8	F764 S767 C772 Q773 V815 F843 T847	F764-C769 HydrophobicContact CD2-CB 3.72Å; F764-C769 HydrophobicContact CE2-CB 3.49Å; F764-C769 VanDerWaalsContact CE2-CB 3.49Å; F764-C769 HydrophobicContact CZ-CB 4.41Å; F764-C769 PolarHBondContact O-N 2.61Å; S767-C769 PolarHBondContact OG-SG 3.03Å; C769-C772 WeakPolarHBondContact O-CB 3.47Å; C769-C772 PolarHBondContact O-N 3.24Å; C769-Q773 WeakPolarHBondContact O-CG 3.48Å; C769-Q773 PolarHBondContact O-N 3.34Å; C769-V815 VanDerWaalsContact SG-CG1 3.56Å; C769-F843 HydrophobicContact CB-CB 4.49Å; C769-T847 WeakPolarHBondContact CB-OG1 3.34Å; C769-T847 PolarHBondContact SG-OG1 3.16Å; C769-T847 VanDerWaalsContact SG-OG1 3.38Å
770	S	95.8	Very high	96.4	Very high	12 Å²	12	22.2 Å²	22.2	8%	0.084	12%	0.117	C	C	.	.	H	α-helix	trans	-55.3	-54.7	177.8	57.8	0	0	0	0	112.4	F764 C772 Q773 I774	F764-S770 VanDerWaalsContact CZ-CA 3.45Å; S770-C772 PolarHBondContact O-N 3Å; S770-Q773 PolarHBondContact O-N 3.39Å; S770-I774 WeakPolarHBondContact O-CG1 3.49Å; S770-I774 PolarHBondContact O-N 3.36Å
771	Q	94.3	Very high	96.2	Very high	94 Å²	94	22.7 Å²	22.7	44%	0.439	12%	0.121	S	C	.	.	H	α-helix	trans	-64.5	-30.9	179.5	68.7	-112.5	6.9	0	0	112.6	G768 S775	G768-Q771 VanDerWaalsContact O-CG 3.32Å; G768-Q771 WeakPolarHBondContact O-CG 3.39Å; G768-Q771 PolarHBondContact O-NE2 3.21Å; Q771-S775 WeakPolarHBondContact O-CB 3.36Å; Q771-S775 PolarHBondContact O-N 2.91Å; Q771-S775 PolarHBondContact O-OG 3.46Å
772	C	96.7	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-44.1	179.2	-168.1	0	0	0	0	111.2	G768 C769 S770 S776 L808 L812 T847	G768-C772 PolarHBondContact O-N 2.96Å; C769-C772 WeakPolarHBondContact O-CB 3.47Å; C769-C772 PolarHBondContact O-N 3.24Å; S770-C772 PolarHBondContact O-N 3Å; C772-S776 PolarHBondContact O-N 3.09Å; C772-L808 WeakPolarHBondContact O-CD1 3.27Å; C772-L812 VanDerWaalsContact SG-CD2 3.57Å; C772-T847 HydrophobicContact CB-CG2 4.03Å
773	Q	97.3	Very high	95.8	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.023	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-43.2	176.4	-66.7	179.3	13	0	0	111.4	C769 S770 S775 S776 F777 T847	C769-Q773 WeakPolarHBondContact O-CG 3.48Å; C769-Q773 PolarHBondContact O-N 3.34Å; S770-Q773 PolarHBondContact O-N 3.39Å; Q773-S775 PolarHBondContact O-N 2.68Å; Q773-S776 VanDerWaalsContact O-CB 3.27Å; Q773-S776 WeakPolarHBondContact O-CB 3.38Å; Q773-S776 PolarHBondContact O-N 3.22Å; Q773-S776 VanDerWaalsContact O-N 3.14Å; Q773-F777 HydrophobicContact CB-CE2 4.33Å; Q773-F777 WeakPolarHBondContact O-CD2 3.4Å; Q773-F777 PolarHBondContact O-N 3.5Å; Q773-T847 HydrophobicContact CG-CG2 3.94Å; Q773-T847 PolarHBondContact NE2-OG1 3.37Å; Q773-T847 VanDerWaalsContact NE2-OG1 3.12Å
774	I	97.3	Very high	95.6	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.087	12%	0.115	C	C	.	.	H	α-helix	trans	-58	-48.8	175.4	-70.1	-64.2	0	0	0	111.6	L731 L734 E735 L738 S770 S776 F777 Y778	L731-I774 HydrophobicContact CD1-CD1 3.63Å; L734-I774 HydrophobicContact CB-CD1 4.44Å; L734-I774 HydrophobicContact CD2-CD1 3.6Å; L734-I774 HydrophobicContact CG-CD1 3.83Å; E735-I774 HydrophobicContact CG-CD1 3.87Å; E735-I774 HydrophobicContact CG-CG2 4.33Å; L738-I774 HydrophobicContact CD1-CD1 3.72Å; L738-I774 HydrophobicContact CD1-CG1 3.57Å; S770-I774 WeakPolarHBondContact O-CG1 3.49Å; S770-I774 PolarHBondContact O-N 3.36Å; I774-S776 PolarHBondContact O-N 3.06Å; I774-F777 PolarHBondContact O-N 2.86Å; I774-Y778 HydrophobicContact CG2-CD2 3.68Å; I774-Y778 HydrophobicContact CG2-CE2 3.51Å; I774-Y778 WeakPolarHBondContact O-CD2 3.29Å; I774-Y778 PolarHBondContact O-N 2.92Å
775	S	97.4	Very high	95.3	Very high	31 Å²	31	25.6 Å²	25.6	22%	0.217	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-35.5	178	-58.8	0	0	0	0	111.7	Q771 Q773 L779 Q811	Q771-S775 WeakPolarHBondContact O-CB 3.36Å; Q771-S775 PolarHBondContact O-N 2.91Å; Q771-S775 PolarHBondContact O-OG 3.46Å; Q773-S775 PolarHBondContact O-N 2.68Å; S775-L779 PolarHBondContact O-N 3.49Å; S775-L779 VanDerWaalsContact O-N 3.15Å; S775-Q811 PolarHBondContact OG-NE2 3.25Å; S775-Q811 VanDerWaalsContact OG-NE2 3.14Å; S775-Q811 PolarHBondContact OG-OE1 3.03Å; S775-Q811 VanDerWaalsContact OG-OE1 3.11Å
776	S	97.6	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-39.4	174.3	-163.5	0	0	0	0	113.4	C772 Q773 I774 L779 V780 I851 V854	C772-S776 PolarHBondContact O-N 3.09Å; Q773-S776 VanDerWaalsContact O-CB 3.27Å; Q773-S776 WeakPolarHBondContact O-CB 3.38Å; Q773-S776 PolarHBondContact O-N 3.22Å; Q773-S776 VanDerWaalsContact O-N 3.14Å; I774-S776 PolarHBondContact O-N 3.06Å; S776-L779 WeakPolarHBondContact O-CB 3.38Å; S776-L779 PolarHBondContact O-N 3.49Å; S776-V780 PolarHBondContact O-N 3.14Å; S776-I851 VanDerWaalsContact OG-CD1 3.27Å; S776-I851 WeakPolarHBondContact OG-CD1 3.39Å; S776-V854 WeakPolarHBondContact OG-CB 3.49Å; S776-V854 WeakPolarHBondContact OG-CG1 3.37Å; S776-V854 WeakPolarHBondContact OG-CG2 3.42Å
777	F	97.3	Very high	94.7	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-72.8	-30.8	177.8	-67.3	-55.1	0	0	0	112.5	T693 L696 I697 L731 L734 Q773 I774 L779 V780 S781 V850 V854	T693-F777 HydrophobicContact CG2-CZ 4.47Å; L696-F777 HydrophobicContact CB-CD1 4.15Å; L696-F777 HydrophobicContact CB-CE1 3.74Å; L696-F777 HydrophobicContact CB-CE2 4.32Å; L696-F777 HydrophobicContact CB-CZ 3.84Å; L696-F777 HydrophobicContact CD1-CD2 3.94Å; L696-F777 HydrophobicContact CD1-CE2 3.99Å; L696-F777 HydrophobicContact CD1-CG 4.27Å; L696-F777 HydrophobicContact CD1-CZ 4.35Å; I697-F777 HydrophobicContact CG1-CE1 4.34Å; I697-F777 HydrophobicContact CG1-CZ 4.12Å; L731-F777 HydrophobicContact CD1-CB 3.64Å; L731-F777 HydrophobicContact CD1-CD2 4.35Å; L731-F777 HydrophobicContact CD1-CG 4.39Å; L731-F777 HydrophobicContact CD2-CB 4.18Å; L734-F777 HydrophobicContact CD2-CD2 4.43Å; L734-F777 HydrophobicContact CD2-CE2 4.4Å; Q773-F777 HydrophobicContact CB-CE2 4.33Å; Q773-F777 WeakPolarHBondContact O-CD2 3.4Å; Q773-F777 PolarHBondContact O-N 3.5Å; I774-F777 PolarHBondContact O-N 2.86Å; F777-L779 VanDerWaalsContact C-N 3.34Å; F777-V780 WeakPolarHBondContact O-CB 3.29Å; F777-V780 PolarHBondContact O-N 3.23Å; F777-S781 PolarHBondContact O-N 3.27Å; F777-V850 HydrophobicContact CE1-CG1 4.16Å; F777-V850 HydrophobicContact CE2-CG1 4.37Å; F777-V850 HydrophobicContact CZ-CG1 3.73Å; F777-V854 HydrophobicContact CD1-CG2 4.43Å; F777-V854 HydrophobicContact CE1-CG2 4.46Å
778	Y	96.6	Very high	94.3	Very high	98 Å²	98	24.3 Å²	24.3	38%	0.384	12%	0.124	S	C	.	.	H	α-helix	trans	-61.9	-42.5	168.1	-84.2	-64.3	0	0	0	112.2	L731 E735 I774 V780 S781 D782	L731-Y778 HydrophobicContact CD2-CD1 3.79Å; L731-Y778 HydrophobicContact CD2-CD2 4.21Å; L731-Y778 HydrophobicContact CD2-CE1 3.78Å; L731-Y778 HydrophobicContact CD2-CE2 4.21Å; L731-Y778 HydrophobicContact CD2-CG 4Å; E735-Y778 WeakPolarHBondContact OE1-CE2 3.4Å; E735-Y778 VanDerWaalsContact OE1-CZ 3.27Å; E735-Y778 PolarHBondContact OE1-OH 3.17Å; E735-Y778 PolarHBondContact OE2-OH 3.41Å; I774-Y778 HydrophobicContact CG2-CD2 3.68Å; I774-Y778 HydrophobicContact CG2-CE2 3.51Å; I774-Y778 WeakPolarHBondContact O-CD2 3.29Å; I774-Y778 PolarHBondContact O-N 2.92Å; Y778-V780 PolarHBondContact O-N 3.19Å; Y778-S781 WeakPolarHBondContact O-CA 3.43Å; Y778-S781 WeakPolarHBondContact O-CB 3.37Å; Y778-S781 PolarHBondContact O-N 3.15Å; Y778-D782 PolarHBondContact O-N 2.87Å
779	L	96.1	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-34.3	175.4	175	66.6	0	0	0	112.5	S775 S776 F777 S781 D782 I783 I801 F805 L808 V854	S775-L779 PolarHBondContact O-N 3.49Å; S775-L779 VanDerWaalsContact O-N 3.15Å; S776-L779 WeakPolarHBondContact O-CB 3.38Å; S776-L779 PolarHBondContact O-N 3.49Å; F777-L779 VanDerWaalsContact C-N 3.34Å; L779-S781 VanDerWaalsContact C-N 3.32Å; L779-S781 PolarHBondContact O-N 3.01Å; L779-D782 PolarHBondContact O-N 3.38Å; L779-I783 HydrophobicContact CD1-CG1 4.02Å; L779-I783 HydrophobicContact CG-CG1 4.36Å; L779-I783 WeakPolarHBondContact O-CB 3.32Å; L779-I783 WeakPolarHBondContact O-CG1 3.48Å; L779-I783 PolarHBondContact O-N 3.45Å; L779-I801 HydrophobicContact CD1-CG2 4.1Å; L779-F805 HydrophobicContact CD1-CD1 4.22Å; L779-F805 HydrophobicContact CD1-CE1 3.91Å; L779-F805 HydrophobicContact CD1-CZ 4.21Å; L779-F805 HydrophobicContact CD2-CD1 3.78Å; L779-F805 HydrophobicContact CD2-CE1 3.6Å; L779-F805 HydrophobicContact CG-CE1 4.28Å; L779-L808 HydrophobicContact CD2-CD2 4.16Å; L779-V854 HydrophobicContact CD2-CG1 4.45Å
780	V	95.1	Very high	93.3	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-44.4	172.5	175.6	0	0	0	0	110.8	L700 L703 S776 F777 Y778 I783 Y784 V854 Y857	L700-V780 HydrophobicContact CD2-CB 4.48Å; L700-V780 HydrophobicContact CD2-CG1 3.96Å; L700-V780 HydrophobicContact CD2-CG2 3.65Å; L703-V780 HydrophobicContact CD1-CG1 3.71Å; S776-V780 PolarHBondContact O-N 3.14Å; F777-V780 WeakPolarHBondContact O-CB 3.29Å; F777-V780 PolarHBondContact O-N 3.23Å; Y778-V780 PolarHBondContact O-N 3.19Å; V780-I783 PolarHBondContact O-N 3.29Å; V780-Y784 WeakPolarHBondContact O-CB 3.32Å; V780-Y784 PolarHBondContact O-N 3.45Å; V780-V854 HydrophobicContact CG2-CB 4.18Å; V780-V854 HydrophobicContact CG2-CG1 3.52Å; V780-V854 HydrophobicContact CG2-CG2 3.72Å; V780-Y857 HydrophobicContact CB-CE1 4.43Å; V780-Y857 HydrophobicContact CG1-CD1 4.01Å; V780-Y857 HydrophobicContact CG1-CE1 3.73Å; V780-Y857 HydrophobicContact CG2-CD1 4.35Å
781	S	91.9	Very high	92.6	Very high	14 Å²	14	28.4 Å²	28.4	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-42	179.8	-66.3	0	0	0	0	112.2	F777 Y778 L779 Y784 E785	F777-S781 PolarHBondContact O-N 3.27Å; Y778-S781 WeakPolarHBondContact O-CA 3.43Å; Y778-S781 WeakPolarHBondContact O-CB 3.37Å; Y778-S781 PolarHBondContact O-N 3.15Å; L779-S781 VanDerWaalsContact C-N 3.32Å; L779-S781 PolarHBondContact O-N 3.01Å; S781-Y784 PolarHBondContact O-N 3.24Å; S781-E785 PolarHBondContact O-N 3.41Å
782	D	92.9	Very high	91.9	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-42.2	176.8	-72.3	-32.5	0	0	0	111.9	Y778 L779 E785 L786 R800 I801	Y778-D782 PolarHBondContact O-N 2.87Å; L779-D782 PolarHBondContact O-N 3.38Å; D782-E785 PolarHBondContact O-N 2.64Å; D782-L786 PolarHBondContact O-N 2.87Å; D782-R800 IonicContact OD1-CZ 3.99Å; D782-R800 VanDerWaalsContact OD1-CZ 3.23Å; D782-R800 IonicContact OD1-NE 2.65Å; D782-R800 PolarHBondContact OD1-NE 3.32Å; D782-R800 IonicContact OD1-NH2 3.75Å; D782-R800 PolarHBondContact OD1-NH2 2.85Å; D782-R800 IonicContact OD2-NE 2.87Å; D782-I801 HydrophobicContact CB-CD1 4.35Å; D782-I801 HydrophobicContact CB-CG1 3.7Å
783	I	93.9	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-38.8	177.8	-72	-80.2	0	0	0	111.2	L779 V780 L786 D787 I801 F805 Y857 C858 V861	L779-I783 HydrophobicContact CD1-CG1 4.02Å; L779-I783 HydrophobicContact CG-CG1 4.36Å; L779-I783 WeakPolarHBondContact O-CB 3.32Å; L779-I783 WeakPolarHBondContact O-CG1 3.48Å; L779-I783 PolarHBondContact O-N 3.45Å; V780-I783 PolarHBondContact O-N 3.29Å; I783-L786 WeakPolarHBondContact O-CB 3.49Å; I783-L786 PolarHBondContact O-N 3.03Å; I783-D787 PolarHBondContact O-N 3.07Å; I783-I801 HydrophobicContact CD1-CD1 3.91Å; I783-I801 HydrophobicContact CD1-CG1 4.35Å; I783-I801 HydrophobicContact CD1-CG2 3.96Å; I783-I801 HydrophobicContact CG1-CD1 4.32Å; I783-F805 HydrophobicContact CD1-CZ 4.37Å; I783-Y857 HydrophobicContact CB-CE1 4.2Å; I783-Y857 HydrophobicContact CG2-CD1 4.26Å; I783-Y857 HydrophobicContact CG2-CE1 3.64Å; I783-C858 HydrophobicContact CD1-CB 4.24Å; I783-C858 HydrophobicContact CG1-CB 4.42Å; I783-V861 HydrophobicContact CG2-CB 4.01Å; I783-V861 HydrophobicContact CG2-CG1 4.13Å; I783-V861 HydrophobicContact CG2-CG2 3.94Å
784	Y	92.3	Very high	90.2	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-40.8	174.1	-175.1	-89.6	0	0	0	111.8	L703 I724 V780 S781 L786 D787 T788	L703-Y784 HydrophobicContact CD2-CD2 3.68Å; L703-Y784 HydrophobicContact CD2-CE2 3.86Å; L703-Y784 HydrophobicContact CD2-CG 4.45Å; I724-Y784 HydrophobicContact CB-CD1 3.74Å; I724-Y784 HydrophobicContact CB-CD2 4.46Å; I724-Y784 HydrophobicContact CB-CE1 3.66Å; I724-Y784 HydrophobicContact CB-CE2 4.39Å; I724-Y784 HydrophobicContact CB-CG 4.15Å; I724-Y784 HydrophobicContact CD1-CD1 4.2Å; I724-Y784 HydrophobicContact CD1-CD2 4.46Å; I724-Y784 HydrophobicContact CD1-CG 3.94Å; I724-Y784 HydrophobicContact CG1-CD1 3.6Å; I724-Y784 HydrophobicContact CG1-CE1 4.06Å; I724-Y784 HydrophobicContact CG1-CG 3.88Å; I724-Y784 HydrophobicContact CG2-CD1 3.81Å; I724-Y784 HydrophobicContact CG2-CE1 3.38Å; V780-Y784 WeakPolarHBondContact O-CB 3.32Å; V780-Y784 PolarHBondContact O-N 3.45Å; S781-Y784 PolarHBondContact O-N 3.24Å; Y784-L786 VanDerWaalsContact C-N 3.32Å; Y784-L786 PolarHBondContact O-N 3.41Å; Y784-D787 PolarHBondContact O-N 3.08Å; Y784-T788 HydrophobicContact CD1-CG2 3.97Å; Y784-T788 HydrophobicContact CE1-CG2 3.45Å; Y784-T788 VanDerWaalsContact CE1-CG2 3.45Å; Y784-T788 HydrophobicContact CE2-CG2 4.43Å; Y784-T788 WeakPolarHBondContact O-CG2 3.38Å; Y784-T788 PolarHBondContact O-N 2.99Å; Y784-T788 PolarHBondContact O-OG1 3.25Å
785	E	90.1	Very high	89.6	Confident	65 Å²	65	43 Å²	43	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-42.1	174.7	-167	-176.8	176.1	0	0	111.5	S781 D782 D787 T788 S789 I797 R800	S781-E785 PolarHBondContact O-N 3.41Å; D782-E785 PolarHBondContact O-N 2.64Å; E785-D787 PolarHBondContact O-N 3.43Å; E785-T788 PolarHBondContact O-N 2.94Å; E785-T788 PolarHBondContact O-OG1 3.02Å; E785-S789 VanDerWaalsContact O-CB 3.23Å; E785-S789 WeakPolarHBondContact O-CB 3.31Å; E785-S789 PolarHBondContact O-N 3.03Å; E785-S789 PolarHBondContact O-OG 2.8Å; E785-I797 HydrophobicContact CG-CD1 3.9Å; E785-R800 IonicContact OE2-CZ 3.55Å; E785-R800 IonicContact OE2-NH2 3.99Å; E785-R800 PolarHBondContact OE2-NH2 3.16Å
786	L	90.3	Very high	89.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-42.2	172.7	-177.4	68.8	0	0	0	112	D782 I783 Y784 G790 L791 T794 I797 Q798 I801 L862	D782-L786 PolarHBondContact O-N 2.87Å; I783-L786 WeakPolarHBondContact O-CB 3.49Å; I783-L786 PolarHBondContact O-N 3.03Å; Y784-L786 VanDerWaalsContact C-N 3.32Å; Y784-L786 PolarHBondContact O-N 3.41Å; L786-G790 WeakPolarHBondContact O-CA 3.46Å; L786-G790 PolarHBondContact O-N 3.32Å; L786-L791 HydrophobicContact CD1-CD2 4.22Å; L786-L791 HydrophobicContact CD2-CD2 4.32Å; L786-L791 HydrophobicContact CG-CD2 4.43Å; L786-T794 WeakPolarHBondContact CD1-OG1 3.02Å; L786-I797 HydrophobicContact CB-CG2 4.01Å; L786-I797 HydrophobicContact CD1-CG2 4.43Å; L786-Q798 HydrophobicContact CD1-CG 3.79Å; L786-I801 HydrophobicContact CB-CD1 3.89Å; L786-I801 HydrophobicContact CD2-CD1 3.72Å; L786-I801 HydrophobicContact CG-CD1 4.32Å; L786-L862 HydrophobicContact CD2-CD2 4.08Å
787	D	89.6	Confident	88.8	Confident	41 Å²	41	49.3 Å²	49.3	22%	0.219	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-45.6	179.5	-171.4	35.2	0	0	0	112.2	I783 Y784 E785 V861 Y865	I783-D787 PolarHBondContact O-N 3.07Å; Y784-D787 PolarHBondContact O-N 3.08Å; E785-D787 PolarHBondContact O-N 3.43Å; D787-V861 HydrophobicContact CB-CG1 3.71Å; D787-Y865 PolarHBondContact O-OH 3.06Å; D787-Y865 WeakPolarHBondContact OD1-CE2 3.37Å; D787-Y865 PolarHBondContact OD1-OH 3.21Å
788	T	87.4	Confident	88.4	Confident	82 Å²	82	49.2 Å²	49.2	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-69.6	-35.8	-179.6	55	0	0	0	0	113.1	Y784 E785	Y784-T788 HydrophobicContact CD1-CG2 3.97Å; Y784-T788 HydrophobicContact CE1-CG2 3.45Å; Y784-T788 VanDerWaalsContact CE1-CG2 3.45Å; Y784-T788 HydrophobicContact CE2-CG2 4.43Å; Y784-T788 WeakPolarHBondContact O-CG2 3.38Å; Y784-T788 PolarHBondContact O-N 2.99Å; Y784-T788 PolarHBondContact O-OG1 3.25Å; E785-T788 PolarHBondContact O-N 2.94Å; E785-T788 PolarHBondContact O-OG1 3.02Å
789	S	86.4	Confident	88.1	Confident	67 Å²	67	50.6 Å²	50.6	47%	0.469	26%	0.264	S	S	.	.	H	α-helix	trans	-83.2	-27.2	-179.7	-56.2	0	0	0	0	112.7	E785	E785-S789 VanDerWaalsContact O-CB 3.23Å; E785-S789 WeakPolarHBondContact O-CB 3.31Å; E785-S789 PolarHBondContact O-N 3.03Å; E785-S789 PolarHBondContact O-OG 2.8Å
790	G	83.3	Confident	88	Confident	14 Å²	14	54.5 Å²	54.5	14%	0.144	28%	0.279	C	S	.	.			trans	82.8	177.8	-173.1	0	0	0	0	0	113.2	L786 T794	L786-G790 WeakPolarHBondContact O-CA 3.46Å; L786-G790 PolarHBondContact O-N 3.32Å; G790-T794 WeakPolarHBondContact O-CG2 3.34Å; G790-T794 PolarHBondContact O-OG1 3.21Å
791	L	81.6	Confident	88	Confident	17 Å²	17	54.3 Å²	54.3	9%	0.089	28%	0.278	C	S	.	.	S	Bend	trans	-82.3	-18	-176.6	-67.6	-179.7	0	0	0	115.1	L786 T794 Q798 Y865 L869 P884 F887	L786-L791 HydrophobicContact CD1-CD2 4.22Å; L786-L791 HydrophobicContact CD2-CD2 4.32Å; L786-L791 HydrophobicContact CG-CD2 4.43Å; L791-T794 PolarHBondContact O-OG1 2.91Å; L791-Q798 PolarHBondContact O-NE2 3.36Å; L791-Q798 VanDerWaalsContact O-NE2 3.11Å; L791-Y865 HydrophobicContact CD1-CD1 3.75Å; L791-Y865 HydrophobicContact CD1-CG 3.92Å; L791-Y865 HydrophobicContact CD2-CG 4.44Å; L791-Y865 HydrophobicContact CG-CD1 3.7Å; L791-Y865 HydrophobicContact CG-CE1 4.19Å; L791-Y865 HydrophobicContact CG-CG 3.97Å; L791-L869 HydrophobicContact CD1-CD1 3.76Å; L791-L869 HydrophobicContact CD1-CG 4.39Å; L791-P884 HydrophobicContact CD1-CG 4.38Å; L791-F887 HydrophobicContact CD1-CE2 4.08Å; L791-F887 HydrophobicContact CD1-CZ 4Å
792	E	77.8	Confident	88.1	Confident	135 Å²	135	57.2 Å²	57.2	63%	0.631	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	135.5	-178.8	-53.9	-68.5	168.1	0	0	108.4	T794	E792-T794 VanDerWaalsContact C-N 3.26Å; E792-T794 PolarHBondContact O-N 3.41Å
793	D	75.4	Confident	88.2	Confident	166 Å²	166	60.5 Å²	60.5	89%	0.888	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	19.5	179.2	-54.6	-42.9	0	0	0	116.7
794	T	84.1	Confident	88.3	Confident	10 Å²	10	62 Å²	62	6%	0.061	32%	0.318	C	S	.	.			trans	-109.9	31.2	179.3	53.5	0	0	0	0	114.7	L786 G790 L791 E792 E796 I797 Q798	L786-T794 WeakPolarHBondContact CD1-OG1 3.02Å; G790-T794 WeakPolarHBondContact O-CG2 3.34Å; G790-T794 PolarHBondContact O-OG1 3.21Å; L791-T794 PolarHBondContact O-OG1 2.91Å; E792-T794 VanDerWaalsContact C-N 3.26Å; E792-T794 PolarHBondContact O-N 3.41Å; T794-E796 VanDerWaalsContact C-N 3.31Å; T794-E796 PolarHBondContact O-N 3.22Å; T794-I797 HydrophobicContact CG2-CD1 3.95Å; T794-I797 PolarHBondContact O-N 2.87Å; T794-Q798 WeakPolarHBondContact O-CG 3.24Å; T794-Q798 PolarHBondContact O-N 3.31Å; T794-Q798 PolarHBondContact OG1-NE2 3.18Å
795	M	84	Confident	88.5	Confident	111 Å²	111	61.1 Å²	61.1	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-56.6	-40.5	-176.1	-70.7	-65.1	108.8	0	0	113.4	Q798 E799	M795-Q798 PolarHBondContact O-N 3.04Å; M795-E799 PolarHBondContact O-N 3.11Å
796	E	88.5	Confident	88.8	Confident	149 Å²	149	65 Å²	65	70%	0.696	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-42.3	178.5	-171.2	-172.8	168.2	0	0	112.2	T794 Q798 E799 R800	T794-E796 VanDerWaalsContact C-N 3.31Å; T794-E796 PolarHBondContact O-N 3.22Å; E796-Q798 VanDerWaalsContact C-N 3.34Å; E796-E799 PolarHBondContact O-N 2.6Å; E796-R800 WeakPolarHBondContact O-CB 3.43Å; E796-R800 PolarHBondContact O-N 2.63Å
797	I	89.8	Confident	89.1	Confident	16 Å²	16	67.6 Å²	67.6	8%	0.082	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-41	177.4	-59.4	165.6	0	0	0	109.8	E785 L786 T794 R800 I801	E785-I797 HydrophobicContact CG-CD1 3.9Å; L786-I797 HydrophobicContact CB-CG2 4.01Å; L786-I797 HydrophobicContact CD1-CG2 4.43Å; T794-I797 HydrophobicContact CG2-CD1 3.95Å; T794-I797 PolarHBondContact O-N 2.87Å; I797-R800 PolarHBondContact O-N 2.74Å; I797-I801 HydrophobicContact CG2-CD1 3.86Å; I797-I801 HydrophobicContact CG2-CG1 4.45Å; I797-I801 WeakPolarHBondContact O-CB 3.31Å; I797-I801 VanDerWaalsContact O-CG1 3.25Å; I797-I801 WeakPolarHBondContact O-CG1 3.02Å; I797-I801 PolarHBondContact O-N 2.86Å
798	Q	89.6	Confident	89.4	Confident	5 Å²	5	65.7 Å²	65.7	2%	0.023	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-40.5	177.9	-68	174.8	39.7	0	0	112.2	L786 L791 T794 M795 E796 I801 E802 V886	L786-Q798 HydrophobicContact CD1-CG 3.79Å; L791-Q798 PolarHBondContact O-NE2 3.36Å; L791-Q798 VanDerWaalsContact O-NE2 3.11Å; T794-Q798 WeakPolarHBondContact O-CG 3.24Å; T794-Q798 PolarHBondContact O-N 3.31Å; T794-Q798 PolarHBondContact OG1-NE2 3.18Å; M795-Q798 PolarHBondContact O-N 3.04Å; E796-Q798 VanDerWaalsContact C-N 3.34Å; Q798-I801 PolarHBondContact O-N 3.08Å; Q798-E802 PolarHBondContact O-N 3.45Å; Q798-V886 HydrophobicContact CB-CB 4.41Å; Q798-V886 HydrophobicContact CG-CB 4.39Å; Q798-V886 HydrophobicContact CG-CG1 4.43Å
799	E	90.4	Very high	89.9	Confident	126 Å²	126	62.8 Å²	62.8	59%	0.589	32%	0.32	S	S	*	.	H	α-helix	trans	-64.5	-42.3	173.9	-177.1	176.8	-179.4	0	0	111.5	M795 E796 I801 E802 N803	M795-E799 PolarHBondContact O-N 3.11Å; E796-E799 PolarHBondContact O-N 2.6Å; E799-I801 PolarHBondContact O-N 3.33Å; E799-E802 PolarHBondContact O-N 3.5Å; E799-N803 PolarHBondContact O-N 3.18Å; E799-N803 PolarHBondContact O-ND2 3.28Å
800	R	93.5	Very high	90.4	Very high	83 Å²	83	63 Å²	63	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-44.9	175.5	-168.5	167.1	69.3	-126.3	2.6	111.7	D782 E785 E796 I797 E802 N803 S804	D782-R800 IonicContact OD1-CZ 3.99Å; D782-R800 VanDerWaalsContact OD1-CZ 3.23Å; D782-R800 IonicContact OD1-NE 2.65Å; D782-R800 PolarHBondContact OD1-NE 3.32Å; D782-R800 IonicContact OD1-NH2 3.75Å; D782-R800 PolarHBondContact OD1-NH2 2.85Å; D782-R800 IonicContact OD2-NE 2.87Å; E785-R800 IonicContact OE2-CZ 3.55Å; E785-R800 IonicContact OE2-NH2 3.99Å; E785-R800 PolarHBondContact OE2-NH2 3.16Å; E796-R800 WeakPolarHBondContact O-CB 3.43Å; E796-R800 PolarHBondContact O-N 2.63Å; I797-R800 PolarHBondContact O-N 2.74Å; R800-E802 PolarHBondContact O-N 2.9Å; R800-N803 PolarHBondContact O-N 2.87Å; R800-S804 WeakPolarHBondContact O-CB 3.35Å; R800-S804 PolarHBondContact O-N 2.95Å; R800-S804 PolarHBondContact O-OG 3.12Å; R800-S804 VanDerWaalsContact O-OG 3.08Å
801	I	95.2	Very high	91.1	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-44.2	175.1	-72	165.8	0	0	0	111.4	L779 D782 I783 L786 I797 Q798 E799 S804 F805 V886	L779-I801 HydrophobicContact CD1-CG2 4.1Å; D782-I801 HydrophobicContact CB-CD1 4.35Å; D782-I801 HydrophobicContact CB-CG1 3.7Å; I783-I801 HydrophobicContact CD1-CD1 3.91Å; I783-I801 HydrophobicContact CD1-CG1 4.35Å; I783-I801 HydrophobicContact CD1-CG2 3.96Å; I783-I801 HydrophobicContact CG1-CD1 4.32Å; L786-I801 HydrophobicContact CB-CD1 3.89Å; L786-I801 HydrophobicContact CD2-CD1 3.72Å; L786-I801 HydrophobicContact CG-CD1 4.32Å; I797-I801 HydrophobicContact CG2-CD1 3.86Å; I797-I801 HydrophobicContact CG2-CG1 4.45Å; I797-I801 WeakPolarHBondContact O-CB 3.31Å; I797-I801 VanDerWaalsContact O-CG1 3.25Å; I797-I801 WeakPolarHBondContact O-CG1 3.02Å; I797-I801 PolarHBondContact O-N 2.86Å; Q798-I801 PolarHBondContact O-N 3.08Å; E799-I801 PolarHBondContact O-N 3.33Å; I801-S804 WeakPolarHBondContact O-CB 3.45Å; I801-S804 PolarHBondContact O-N 3.16Å; I801-F805 HydrophobicContact CG2-CD2 3.8Å; I801-F805 HydrophobicContact CG2-CE2 3.22Å; I801-F805 HydrophobicContact CG2-CZ 3.7Å; I801-F805 VanDerWaalsContact O-CD2 3.3Å; I801-F805 WeakPolarHBondContact O-CD2 3.32Å; I801-F805 WeakPolarHBondContact O-CG 3.39Å; I801-F805 PolarHBondContact O-N 2.76Å; I801-V886 HydrophobicContact CB-CG2 4.46Å; I801-V886 HydrophobicContact CG2-CG2 3.76Å
802	E	94.4	Very high	91.8	Very high	75 Å²	75	63.2 Å²	63.2	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.8	173.3	169.9	160.1	0	0	112.1	Q798 E799 R800 S804 F805 K806 S889	Q798-E802 PolarHBondContact O-N 3.45Å; E799-E802 PolarHBondContact O-N 3.5Å; R800-E802 PolarHBondContact O-N 2.9Å; E802-S804 VanDerWaalsContact C-N 3.31Å; E802-S804 PolarHBondContact O-N 3.29Å; E802-F805 PolarHBondContact O-N 3.05Å; E802-K806 PolarHBondContact O-N 3.35Å; E802-K806 VanDerWaalsContact O-N 3.08Å; E802-S889 WeakPolarHBondContact CG-OG 3.42Å; E802-S889 PolarHBondContact OE2-OG 3.46Å
803	N	94.6	Very high	92.7	Very high	89 Å²	89	61.4 Å²	61.4	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-41.4	176.2	-73.9	-37	0	0	0	111.5	E799 R800 K806 S807	E799-N803 PolarHBondContact O-N 3.18Å; E799-N803 PolarHBondContact O-ND2 3.28Å; R800-N803 PolarHBondContact O-N 2.87Å; N803-K806 PolarHBondContact O-N 3.45Å; N803-S807 VanDerWaalsContact O-CB 3.26Å; N803-S807 WeakPolarHBondContact O-CB 3.29Å; N803-S807 PolarHBondContact O-N 3.16Å
804	S	96	Very high	93.8	Very high	30 Å²	30	58 Å²	58	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-45.2	175.4	-69	0	0	0	0	112	R800 I801 E802 K806 S807 L808	R800-S804 WeakPolarHBondContact O-CB 3.35Å; R800-S804 PolarHBondContact O-N 2.95Å; R800-S804 PolarHBondContact O-OG 3.12Å; R800-S804 VanDerWaalsContact O-OG 3.08Å; I801-S804 WeakPolarHBondContact O-CB 3.45Å; I801-S804 PolarHBondContact O-N 3.16Å; E802-S804 VanDerWaalsContact C-N 3.31Å; E802-S804 PolarHBondContact O-N 3.29Å; S804-K806 PolarHBondContact O-N 2.88Å; S804-S807 PolarHBondContact O-N 3.42Å; S804-L808 WeakPolarHBondContact O-CB 3.27Å; S804-L808 PolarHBondContact O-N 2.97Å
805	F	96.9	Very high	94.4	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-45.9	175.4	-72.8	-45.4	0	0	0	112.5	L779 I783 I801 E802 L809 V886 F890 Y893	L779-F805 HydrophobicContact CD1-CD1 4.22Å; L779-F805 HydrophobicContact CD1-CE1 3.91Å; L779-F805 HydrophobicContact CD1-CZ 4.21Å; L779-F805 HydrophobicContact CD2-CD1 3.78Å; L779-F805 HydrophobicContact CD2-CE1 3.6Å; L779-F805 HydrophobicContact CG-CE1 4.28Å; I783-F805 HydrophobicContact CD1-CZ 4.37Å; I801-F805 HydrophobicContact CG2-CD2 3.8Å; I801-F805 HydrophobicContact CG2-CE2 3.22Å; I801-F805 HydrophobicContact CG2-CZ 3.7Å; I801-F805 VanDerWaalsContact O-CD2 3.3Å; I801-F805 WeakPolarHBondContact O-CD2 3.32Å; I801-F805 WeakPolarHBondContact O-CG 3.39Å; I801-F805 PolarHBondContact O-N 2.76Å; E802-F805 PolarHBondContact O-N 3.05Å; F805-L809 WeakPolarHBondContact O-CB 3.49Å; F805-L809 PolarHBondContact O-N 3.45Å; F805-L809 VanDerWaalsContact O-N 3.11Å; F805-V886 HydrophobicContact CE2-CG2 4.47Å; F805-F890 AromaticContact CE1-CD2 3.75Å; F805-F890 HydrophobicContact CE1-CD2 3.75Å; F805-F890 HydrophobicContact CE1-CE2 4.32Å; F805-F890 HydrophobicContact CE2-CB 3.96Å; F805-F890 HydrophobicContact CE2-CD2 4.08Å; F805-F890 HydrophobicContact CZ-CB 4.22Å; F805-F890 AromaticContact CZ-CD2 3.47Å; F805-F890 HydrophobicContact CZ-CD2 3.47Å; F805-F890 VanDerWaalsContact CZ-CD2 3.47Å; F805-F890 HydrophobicContact CZ-CE2 4.31Å; F805-F890 HydrophobicContact CZ-CG 4.29Å; F805-Y893 HydrophobicContact CB-CD2 4Å; F805-Y893 HydrophobicContact CB-CG 4.01Å; F805-Y893 AromaticContact CD1-CD1 3.67Å; F805-Y893 HydrophobicContact CD1-CD1 3.67Å; F805-Y893 HydrophobicContact CD1-CD2 4.08Å; F805-Y893 AromaticContact CD1-CE1 3.92Å; F805-Y893 HydrophobicContact CD1-CE1 3.92Å; F805-Y893 HydrophobicContact CD1-CE2 4.32Å; F805-Y893 AromaticContact CD1-CG 3.75Å; F805-Y893 HydrophobicContact CD1-CG 3.75Å; F805-Y893 HydrophobicContact CE1-CD1 4.02Å; F805-Y893 HydrophobicContact CE1-CE1 4.15Å; F805-Y893 HydrophobicContact CG-CD1 4.36Å; F805-Y893 HydrophobicContact CG-CD2 4.41Å; F805-Y893 HydrophobicContact CG-CG 4.06Å; F805-Y893 WeakPolarHBondContact O-CD2 3.41Å
806	K	95.4	Very high	95	Very high	146 Å²	146	53.1 Å²	53.1	64%	0.635	26%	0.26	S	S	*	.	H	α-helix	trans	-67.1	-44.1	-179.3	-171.3	176.7	-179	179.2	0	111.9	E802 N803 S804 N810	E802-K806 PolarHBondContact O-N 3.35Å; E802-K806 VanDerWaalsContact O-N 3.08Å; N803-K806 PolarHBondContact O-N 3.45Å; S804-K806 PolarHBondContact O-N 2.88Å; K806-N810 PolarHBondContact O-N 2.86Å; K806-N810 VanDerWaalsContact O-N 3.16Å; K806-N810 PolarHBondContact O-ND2 3.28Å
807	S	96.6	Very high	95.3	Very high	55 Å²	55	49.1 Å²	49.1	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-48.1	177	-174.8	0	0	0	0	111.2	N803 S804 L809 N810 Q811	N803-S807 VanDerWaalsContact O-CB 3.26Å; N803-S807 WeakPolarHBondContact O-CB 3.29Å; N803-S807 PolarHBondContact O-N 3.16Å; S804-S807 PolarHBondContact O-N 3.42Å; S807-L809 VanDerWaalsContact C-N 3.34Å; S807-L809 PolarHBondContact O-N 3.21Å; S807-N810 WeakPolarHBondContact O-CB 3.28Å; S807-N810 PolarHBondContact O-N 3.19Å; S807-N810 VanDerWaalsContact O-N 3.09Å; S807-Q811 WeakPolarHBondContact O-CG 3.2Å; S807-Q811 PolarHBondContact O-N 2.99Å; S807-Q811 PolarHBondContact OG-NE2 2.83Å
808	L	97	Very high	95.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-42	-180	-176.7	60.2	0	0	0	112.3	C772 L779 S804 N810 Q811 L812 I851 Y893	C772-L808 WeakPolarHBondContact O-CD1 3.27Å; L779-L808 HydrophobicContact CD2-CD2 4.16Å; S804-L808 WeakPolarHBondContact O-CB 3.27Å; S804-L808 PolarHBondContact O-N 2.97Å; L808-N810 VanDerWaalsContact C-N 3.32Å; L808-N810 PolarHBondContact O-N 2.84Å; L808-Q811 PolarHBondContact O-N 3.3Å; L808-L812 PolarHBondContact O-N 3.01Å; L808-I851 HydrophobicContact CD1-CD1 3.82Å; L808-I851 HydrophobicContact CD2-CD1 4.22Å; L808-I851 HydrophobicContact CD2-CG2 4.11Å; L808-I851 HydrophobicContact CG-CD1 4.44Å; L808-Y893 HydrophobicContact CD2-CE2 4.15Å; L808-Y893 WeakPolarHBondContact CD2-OH 3.04Å; L808-Y893 HydrophobicContact CG-CE2 4.42Å
809	L	97.1	Very high	95.6	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-35.1	176.4	-173	65.6	0	0	0	112.4	F805 S807 K813 Y893 L897	F805-L809 WeakPolarHBondContact O-CB 3.49Å; F805-L809 PolarHBondContact O-N 3.45Å; F805-L809 VanDerWaalsContact O-N 3.11Å; S807-L809 VanDerWaalsContact C-N 3.34Å; S807-L809 PolarHBondContact O-N 3.21Å; L809-K813 WeakPolarHBondContact O-CG 3.39Å; L809-K813 PolarHBondContact O-N 3.25Å; L809-K813 VanDerWaalsContact O-N 3.16Å; L809-Y893 HydrophobicContact CB-CD2 4.25Å; L809-L897 HydrophobicContact CD1-CD2 4.07Å; L809-L897 HydrophobicContact CD1-CG 4.42Å
810	N	97.2	Very high	95.6	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-69.9	-44.2	175.2	-70.6	-21.3	0	0	0	111.4	K806 S807 L808 L812 K813 D814	K806-N810 PolarHBondContact O-N 2.86Å; K806-N810 VanDerWaalsContact O-N 3.16Å; K806-N810 PolarHBondContact O-ND2 3.28Å; S807-N810 WeakPolarHBondContact O-CB 3.28Å; S807-N810 PolarHBondContact O-N 3.19Å; S807-N810 VanDerWaalsContact O-N 3.09Å; L808-N810 VanDerWaalsContact C-N 3.32Å; L808-N810 PolarHBondContact O-N 2.84Å; N810-L812 VanDerWaalsContact C-N 3.3Å; N810-L812 PolarHBondContact O-N 3.39Å; N810-K813 WeakPolarHBondContact O-CB 3.31Å; N810-K813 PolarHBondContact O-N 3.35Å; N810-D814 PolarHBondContact O-N 3.35Å
811	Q	97.6	Very high	95.5	Very high	35 Å²	35	50 Å²	50	16%	0.164	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-43.5	175	-68.6	172.5	6.7	0	0	111.5	S775 S807 L808 K813 D814 V815	S775-Q811 PolarHBondContact OG-NE2 3.25Å; S775-Q811 VanDerWaalsContact OG-NE2 3.14Å; S775-Q811 PolarHBondContact OG-OE1 3.03Å; S775-Q811 VanDerWaalsContact OG-OE1 3.11Å; S807-Q811 WeakPolarHBondContact O-CG 3.2Å; S807-Q811 PolarHBondContact O-N 2.99Å; S807-Q811 PolarHBondContact OG-NE2 2.83Å; L808-Q811 PolarHBondContact O-N 3.3Å; Q811-K813 VanDerWaalsContact C-N 3.33Å; Q811-K813 PolarHBondContact O-N 3.17Å; Q811-D814 WeakPolarHBondContact O-CB 3.34Å; Q811-D814 PolarHBondContact O-N 2.75Å; Q811-D814 VanDerWaalsContact O-N 3.13Å; Q811-V815 WeakPolarHBondContact O-CG2 3.43Å; Q811-V815 PolarHBondContact O-N 3.21Å
812	L	97.3	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-37.4	175.1	-78.7	173	0	0	0	113	C772 L808 N810 D814 V815 F816 F844 T847 I848 I851 L897 L900	C772-L812 VanDerWaalsContact SG-CD2 3.57Å; L808-L812 PolarHBondContact O-N 3.01Å; N810-L812 VanDerWaalsContact C-N 3.3Å; N810-L812 PolarHBondContact O-N 3.39Å; L812-D814 VanDerWaalsContact C-N 3.32Å; L812-V815 PolarHBondContact O-N 3.41Å; L812-F816 PolarHBondContact O-N 3.26Å; L812-F844 HydrophobicContact CD2-CE2 4.41Å; L812-T847 HydrophobicContact CD2-CG2 4.16Å; L812-I848 HydrophobicContact CD1-CD1 3.68Å; L812-I848 HydrophobicContact CD2-CD1 4.07Å; L812-I851 HydrophobicContact CD1-CG1 4.25Å; L812-I851 HydrophobicContact CD1-CG2 4.22Å; L812-I851 HydrophobicContact CD2-CG1 4.23Å; L812-L897 HydrophobicContact CD1-CD2 3.47Å; L812-L897 VanDerWaalsContact CD1-CD2 3.47Å; L812-L900 HydrophobicContact CB-CD2 3.57Å
813	K	97.1	Very high	95.2	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-37.6	173.3	-72	168.7	-176	170.3	0	111.4	L809 N810 Q811 F816 S817 L900	L809-K813 WeakPolarHBondContact O-CG 3.39Å; L809-K813 PolarHBondContact O-N 3.25Å; L809-K813 VanDerWaalsContact O-N 3.16Å; N810-K813 WeakPolarHBondContact O-CB 3.31Å; N810-K813 PolarHBondContact O-N 3.35Å; Q811-K813 VanDerWaalsContact C-N 3.33Å; Q811-K813 PolarHBondContact O-N 3.17Å; K813-F816 PolarHBondContact O-N 3.4Å; K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.48Å; K813-L900 HydrophobicContact CG-CD1 4.2Å; K813-L900 HydrophobicContact CG-CD2 4.36Å
814	D	96.8	Very high	95	Very high	94 Å²	94	45.6 Å²	45.6	50%	0.503	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-42.9	176.4	-65.2	-19.6	0	0	0	111	N810 Q811 L812 F816 S817 K818	N810-D814 PolarHBondContact O-N 3.35Å; Q811-D814 WeakPolarHBondContact O-CB 3.34Å; Q811-D814 PolarHBondContact O-N 2.75Å; Q811-D814 VanDerWaalsContact O-N 3.13Å; L812-D814 VanDerWaalsContact C-N 3.32Å; D814-F816 VanDerWaalsContact C-N 3.35Å; D814-F816 PolarHBondContact O-N 3.3Å; D814-S817 WeakPolarHBondContact O-CB 3Å; D814-S817 PolarHBondContact O-N 2.95Å; D814-S817 VanDerWaalsContact O-N 3.15Å; D814-S817 PolarHBondContact O-OG 3.16Å; D814-K818 WeakPolarHBondContact O-CG 3.38Å; D814-K818 PolarHBondContact O-N 2.89Å; D814-K818 VanDerWaalsContact O-N 3.16Å
815	V	96.8	Very high	94.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-47.6	172.4	178.3	0	0	0	0	110.2	C769 Q811 L812 S817 K818 C819 F844	C769-V815 VanDerWaalsContact SG-CG1 3.56Å; Q811-V815 WeakPolarHBondContact O-CG2 3.43Å; Q811-V815 PolarHBondContact O-N 3.21Å; L812-V815 PolarHBondContact O-N 3.41Å; V815-S817 VanDerWaalsContact C-N 3.3Å; V815-S817 PolarHBondContact O-N 3.47Å; V815-K818 PolarHBondContact O-N 3.28Å; V815-K818 VanDerWaalsContact O-N 3.16Å; V815-C819 PolarHBondContact O-N 2.98Å; V815-F844 HydrophobicContact CB-CD2 4.28Å; V815-F844 HydrophobicContact CG1-CB 4.19Å; V815-F844 HydrophobicContact CG1-CD2 3.82Å
816	F	96.8	Very high	94	Very high	16 Å²	16	50.2 Å²	50.2	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-36.1	176.1	178.4	-123.6	0	0	0	112.4	L812 K813 D814 K818 C819 K820 F844 L900 N903 V904 H907	L812-F816 PolarHBondContact O-N 3.26Å; K813-F816 PolarHBondContact O-N 3.4Å; D814-F816 VanDerWaalsContact C-N 3.35Å; D814-F816 PolarHBondContact O-N 3.3Å; F816-K818 PolarHBondContact O-N 3.29Å; F816-C819 WeakPolarHBondContact CD2-SG 3.16Å; F816-C819 PolarHBondContact O-N 3.31Å; F816-C819 PolarHBondContact O-SG 3.44Å; F816-K820 HydrophobicContact CZ-CG 4.49Å; F816-K820 PolarHBondContact O-N 2.93Å; F816-F844 HydrophobicContact CB-CD2 4.3Å; F816-F844 HydrophobicContact CB-CE2 3.93Å; F816-L900 HydrophobicContact CB-CD1 4.1Å; F816-L900 HydrophobicContact CD1-CD1 3.84Å; F816-L900 HydrophobicContact CG-CD1 4.12Å; F816-N903 HydrophobicContact CE1-CB 4.37Å; F816-V904 HydrophobicContact CD1-CG2 4.41Å; F816-V904 HydrophobicContact CD2-CB 4.2Å; F816-V904 HydrophobicContact CD2-CG1 4.24Å; F816-V904 HydrophobicContact CD2-CG2 3.31Å; F816-V904 HydrophobicContact CE1-CG2 4.46Å; F816-V904 HydrophobicContact CE2-CB 3.91Å; F816-V904 HydrophobicContact CE2-CG1 4.04Å; F816-V904 HydrophobicContact CE2-CG2 3.43Å; F816-V904 VanDerWaalsContact CE2-CG2 3.43Å; F816-V904 HydrophobicContact CG-CG2 3.86Å; F816-V904 HydrophobicContact CZ-CG2 4.02Å; F816-H907 HydrophobicContact CE2-CB 4.13Å; F816-H907 AromaticContact CE2-CD2 3.97Å; F816-H907 HydrophobicContact CZ-CB 4Å
817	S	95.6	Very high	93.1	Very high	64 Å²	64	50.3 Å²	50.3	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-34.5	177	79.6	0	0	0	0	112.3	K813 D814 V815 C819 K820	K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.48Å; D814-S817 WeakPolarHBondContact O-CB 3Å; D814-S817 PolarHBondContact O-N 2.95Å; D814-S817 VanDerWaalsContact O-N 3.15Å; D814-S817 PolarHBondContact O-OG 3.16Å; V815-S817 VanDerWaalsContact C-N 3.3Å; V815-S817 PolarHBondContact O-N 3.47Å; S817-C819 VanDerWaalsContact C-N 3.34Å; S817-K820 PolarHBondContact O-N 2.88Å
818	K	94.1	Very high	91.7	Very high	93 Å²	93	54.5 Å²	54.5	40%	0.404	28%	0.28	S	S	.	.	H	α-helix	trans	-78.9	-12.1	178.3	-68	174.2	175.2	-174.1	0	114.3	N766 S767 D814 V815 F816 N840	N766-K818 PolarHBondContact O-NZ 2.95Å; S767-K818 WeakPolarHBondContact O-CD 3.41Å; D814-K818 WeakPolarHBondContact O-CG 3.38Å; D814-K818 PolarHBondContact O-N 2.89Å; D814-K818 VanDerWaalsContact O-N 3.16Å; V815-K818 PolarHBondContact O-N 3.28Å; V815-K818 VanDerWaalsContact O-N 3.16Å; F816-K818 PolarHBondContact O-N 3.29Å; K818-N840 PolarHBondContact O-ND2 2.98Å
819	C	91.1	Very high	90.4	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.02	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4	173.9	80.8	0	0	0	0	113	V815 F816 S817 N840 L841	V815-C819 PolarHBondContact O-N 2.98Å; F816-C819 WeakPolarHBondContact CD2-SG 3.16Å; F816-C819 PolarHBondContact O-N 3.31Å; F816-C819 PolarHBondContact O-SG 3.44Å; S817-C819 VanDerWaalsContact C-N 3.34Å; C819-N840 HydrophobicContact CB-CB 4.06Å; C819-L841 HydrophobicContact CB-CB 4.48Å
820	K	91.6	Very high	89.3	Confident	121 Å²	121	58 Å²	58	53%	0.526	31%	0.306	S	S	.	.			trans	-76.9	132.7	177.8	-72.3	-179.7	179.2	-175.8	0	111.3	F816 S817	F816-K820 HydrophobicContact CZ-CG 4.49Å; F816-K820 PolarHBondContact O-N 2.93Å; S817-K820 PolarHBondContact O-N 2.88Å
821	G	90.7	Very high	88.7	Confident	31 Å²	31	54.8 Å²	54.8	32%	0.32	29%	0.289	S	S	.	.	S	Bend	trans	159.1	179.3	173.3	0	0	0	0	0	109.9	L911	G821-L911 WeakPolarHBondContact O-CD2 3.34Å
822	D	90.7	Very high	88.3	Confident	69 Å²	69	57.6 Å²	57.6	37%	0.369	30%	0.3	S	S	.	.			trans	-90.5	133.4	175.1	-66.6	-31.2	0	0	0	109.7	E825 H834 L837 Y914	D822-E825 HydrophobicContact CB-CG 4.07Å; D822-H834 PolarHBondContact O-CD2 3.15Å; D822-L837 WeakPolarHBondContact O-CD1 3.48Å; D822-Y914 HydrophobicContact CB-CE1 4.37Å
823	L	92.9	Very high	88.1	Confident	3 Å²	3	58 Å²	58	2%	0.016	30%	0.303	C	S	.	.	S	Bend	trans	-76.1	-27.9	-178.3	-62.6	-176.6	0	0	0	113	H834 L837 L838 L911 Y949 L953	L823-H834 PolarHBondContact O-N 2.87Å; L823-L837 HydrophobicContact CD2-CB 3.53Å; L823-L837 HydrophobicContact CD2-CD1 4.44Å; L823-L838 HydrophobicContact CD1-CD1 4.41Å; L823-L838 HydrophobicContact CD2-CB 4.35Å; L823-L911 HydrophobicContact CD1-CD1 4.19Å; L823-L911 HydrophobicContact CG-CD1 4.2Å; L823-Y949 HydrophobicContact CB-CD1 3.71Å; L823-Y949 HydrophobicContact CB-CE1 3.84Å; L823-Y949 HydrophobicContact CD1-CD1 3.77Å; L823-Y949 HydrophobicContact CD1-CE1 4.34Å; L823-Y949 HydrophobicContact CG-CD1 4.27Å; L823-Y949 HydrophobicContact CG-CE1 4.48Å; L823-L953 HydrophobicContact CD1-CD1 3.83Å; L823-L953 HydrophobicContact CD1-CD2 3.87Å; L823-L953 HydrophobicContact CD1-CG 3.99Å
824	L	90.8	Very high	88	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	118.5	177.2	-73.8	-177.9	0	0	0	108.2	L831 K832 T833 Y914 L915 L918 V945 Q946	L824-L831 HydrophobicContact CB-CD1 4.18Å; L824-L831 HydrophobicContact CD2-CD1 4.22Å; L824-L831 HydrophobicContact CD2-CD2 4.49Å; L824-L831 HydrophobicContact CD2-CG 4.36Å; L824-K832 WeakPolarHBondContact CA-O 3.38Å; L824-T833 HydrophobicContact CD2-CG2 3.59Å; L824-Y914 VanDerWaalsContact O-CE1 3.22Å; L824-Y914 WeakPolarHBondContact O-CE1 3.47Å; L824-Y914 PolarHBondContact O-OH 3.02Å; L824-Y914 VanDerWaalsContact O-OH 3.05Å; L824-L915 HydrophobicContact CB-CD2 3.97Å; L824-L915 HydrophobicContact CD1-CD2 3.79Å; L824-L915 HydrophobicContact CG-CD2 4.02Å; L824-L918 HydrophobicContact CB-CD1 3.97Å; L824-V945 HydrophobicContact CD2-CG1 4.42Å; L824-Q946 HydrophobicContact CD1-CB 4.18Å; L824-Q946 HydrophobicContact CD1-CG 4.36Å
825	E	87.8	Confident	88	Confident	73 Å²	73	52.3 Å²	52.3	34%	0.341	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134	176.3	-73.4	178.2	170.1	0	0	110	D822 K832 H834	D822-E825 HydrophobicContact CB-CG 4.07Å; E825-K832 HydrophobicContact CB-CB 4.47Å; E825-K832 PolarHBondContact N-O 3.48Å; E825-K832 PolarHBondContact O-N 3.38Å; E825-H834 IonicContact OE1-NE2 3.25Å; E825-H834 IonicContact OE2-CD2 2.98Å; E825-H834 IonicContact OE2-CE1 2.83Å; E825-H834 IonicContact OE2-NE2 3.26Å; E825-H834 PolarHBondContact OE2-NE2 2.87Å
826	V	82.6	Confident	87.9	Confident	58 Å²	58	56.3 Å²	56.3	35%	0.352	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111	172.4	178.2	0	0	0	0	107.9	N830 L831 L918 L920 L923	V826-N830 WeakPolarHBondContact CA-O 3.47Å; V826-L831 HydrophobicContact CG2-CD1 3.93Å; V826-L918 HydrophobicContact CG2-CD2 3.91Å; V826-L920 HydrophobicContact CG2-CD2 4.22Å; V826-L923 HydrophobicContact CG1-CD1 4.01Å; V826-L923 HydrophobicContact CG1-CD2 3.52Å; V826-L923 HydrophobicContact CG1-CG 4.36Å; V826-L923 HydrophobicContact CG2-CD1 3.92Å
827	K	76.5	Confident	87.9	Confident	147 Å²	147	57 Å²	57	64%	0.639	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.8	-179.9	-168.3	-175.4	175.1	-175.9	0	110.3	G829 N830	K827-G829 PolarHBondContact O-N 3.26Å; K827-N830 PolarHBondContact N-O 3.43Å; K827-N830 WeakPolarHBondContact O-CB 3.44Å; K827-N830 PolarHBondContact O-N 2.9Å
828	D	68.7	Low	88	Confident	143 Å²	143	53.9 Å²	53.9	77%	0.765	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.1	177.9	-52.9	-43.3	0	0	0	113.2	N830	D828-N830 PolarHBondContact O-N 3.43Å
829	G	68.5	Low	88.1	Confident	30 Å²	30	51 Å²	51	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-7.7	-176.9	0	0	0	0	0	115.2	K827	K827-G829 PolarHBondContact O-N 3.26Å
830	N	73.6	Confident	88.5	Confident	67 Å²	67	51.6 Å²	51.6	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.2	178.4	-64.9	-35	0	0	0	111.5	T486 V826 K827 D828	T486-N830 HydrophobicContact CG2-CB 4.44Å; T486-N830 VanDerWaalsContact CG2-OD1 3.29Å; T486-N830 WeakPolarHBondContact CG2-OD1 3.33Å; V826-N830 WeakPolarHBondContact CA-O 3.47Å; K827-N830 PolarHBondContact N-O 3.43Å; K827-N830 WeakPolarHBondContact O-CB 3.44Å; K827-N830 PolarHBondContact O-N 2.9Å; D828-N830 PolarHBondContact O-N 3.43Å
831	L	84.7	Confident	88.8	Confident	3 Å²	3	46 Å²	46	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.9	173.1	-173.7	64.2	0	0	0	109.1	W489 L824 V826 L920 Q942	W489-L831 HydrophobicContact CH2-CD2 3.71Å; W489-L831 HydrophobicContact CH2-CG 4.4Å; W489-L831 HydrophobicContact CZ2-CB 4.04Å; W489-L831 HydrophobicContact CZ2-CD2 3.56Å; W489-L831 HydrophobicContact CZ2-CG 3.76Å; W489-L831 PolarHBondContact NE1-O 3.46Å; L824-L831 HydrophobicContact CB-CD1 4.18Å; L824-L831 HydrophobicContact CD2-CD1 4.22Å; L824-L831 HydrophobicContact CD2-CD2 4.49Å; L824-L831 HydrophobicContact CD2-CG 4.36Å; V826-L831 HydrophobicContact CG2-CD1 3.93Å; L831-L920 HydrophobicContact CD1-CD2 3.87Å; L831-L920 HydrophobicContact CD2-CD1 3.98Å; L831-L920 HydrophobicContact CD2-CD2 4.28Å; L831-Q942 HydrophobicContact CD2-CB 4.21Å; L831-Q942 HydrophobicContact CD2-CG 3.95Å
832	K	89.9	Confident	89.1	Confident	95 Å²	95	44.5 Å²	44.5	41%	0.413	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.2	173.4	-177.9	168.9	-174.8	177.7	0	109.6	E485 L824 E825	E485-K832 HydrophobicContact CG-CG 4.21Å; L824-K832 WeakPolarHBondContact CA-O 3.38Å; E825-K832 HydrophobicContact CB-CB 4.47Å; E825-K832 PolarHBondContact N-O 3.48Å; E825-K832 PolarHBondContact O-N 3.38Å
833	T	93.3	Very high	89.5	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.8	175.3	76.6	0	0	0	0	110.6	W489 L519 L824 P835 V945	W489-T833 HydrophobicContact CH2-CG2 3.73Å; W489-T833 HydrophobicContact CZ2-CG2 3.46Å; W489-T833 VanDerWaalsContact CZ2-CG2 3.46Å; L519-T833 PolarHBondContact O-OG1 3.48Å; L824-T833 HydrophobicContact CD2-CG2 3.59Å; T833-P835 VanDerWaalsContact C-CD 3.45Å; T833-P835 WeakPolarHBondContact O-CD 3.4Å; T833-V945 HydrophobicContact CG2-CG1 4.17Å
834	H	95.1	Very high	89.8	Confident	40 Å²	40	41.2 Å²	41.2	19%	0.185	22%	0.218	C	C	.	.			trans	-123.9	69.7	178.7	-65.6	-71.4	0	0	0	111	D822 L823 E825 T836 L837	D822-H834 PolarHBondContact O-CD2 3.15Å; L823-H834 PolarHBondContact O-N 2.87Å; E825-H834 IonicContact OE1-NE2 3.25Å; E825-H834 IonicContact OE2-CD2 2.98Å; E825-H834 IonicContact OE2-CE1 2.83Å; E825-H834 IonicContact OE2-NE2 3.26Å; E825-H834 PolarHBondContact OE2-NE2 2.87Å; H834-T836 PolarHBondContact O-N 3.37Å; H834-L837 HydrophobicContact CB-CD1 3.91Å; H834-L837 HydrophobicContact CB-CG 4.22Å; H834-L837 PolarHBondContact O-N 3.36Å; H834-L837 VanDerWaalsContact O-N 3.11Å
835	P	95.7	Very high	90.1	Very high	31 Å²	31	41.2 Å²	41.2	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-28.1	-176.1	24.4	-34.9	0	0	0	113.3	T833 L837 L838 E839 Y949	T833-P835 VanDerWaalsContact C-CD 3.45Å; T833-P835 WeakPolarHBondContact O-CD 3.4Å; P835-L837 VanDerWaalsContact C-N 3.29Å; P835-L837 PolarHBondContact O-N 3.4Å; P835-L838 WeakPolarHBondContact O-CB 3.31Å; P835-L838 PolarHBondContact O-N 3.46Å; P835-L838 VanDerWaalsContact O-N 3.15Å; P835-E839 PolarHBondContact O-N 2.93Å; P835-Y949 WeakPolarHBondContact CA-OH 3.5Å
836	T	95.9	Very high	90.6	Very high	88 Å²	88	38.3 Å²	38.3	54%	0.54	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-35.1	176.6	-50.3	0	0	0	0	112.7	H834 L838 E839 N840	H834-T836 PolarHBondContact O-N 3.37Å; T836-L838 VanDerWaalsContact C-N 3.34Å; T836-E839 PolarHBondContact O-N 3.17Å; T836-N840 WeakPolarHBondContact O-CB 3.36Å; T836-N840 PolarHBondContact O-N 3.47Å; T836-N840 PolarHBondContact O-ND2 3.24Å
837	L	96.3	Very high	91.4	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-38.3	176.4	-70.3	178	0	0	0	111.1	D822 L823 H834 P835 L841	D822-L837 WeakPolarHBondContact O-CD1 3.48Å; L823-L837 HydrophobicContact CD2-CB 3.53Å; L823-L837 HydrophobicContact CD2-CD1 4.44Å; H834-L837 HydrophobicContact CB-CD1 3.91Å; H834-L837 HydrophobicContact CB-CG 4.22Å; H834-L837 PolarHBondContact O-N 3.36Å; H834-L837 VanDerWaalsContact O-N 3.11Å; P835-L837 VanDerWaalsContact C-N 3.29Å; P835-L837 PolarHBondContact O-N 3.4Å; L837-L841 WeakPolarHBondContact O-CB 3.47Å; L837-L841 PolarHBondContact O-N 3.01Å
838	L	97.5	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-47.6	175.3	-176.6	63.5	0	0	0	111.1	L553 L823 P835 T836 N840 L841 V842 Y949 M956	L553-L838 HydrophobicContact CD2-CD2 4.21Å; L823-L838 HydrophobicContact CD1-CD1 4.41Å; L823-L838 HydrophobicContact CD2-CB 4.35Å; P835-L838 WeakPolarHBondContact O-CB 3.31Å; P835-L838 PolarHBondContact O-N 3.46Å; P835-L838 VanDerWaalsContact O-N 3.15Å; T836-L838 VanDerWaalsContact C-N 3.34Å; L838-N840 PolarHBondContact O-N 3.27Å; L838-L841 WeakPolarHBondContact O-CB 3.44Å; L838-L841 PolarHBondContact O-N 3.43Å; L838-L841 VanDerWaalsContact O-N 3.16Å; L838-V842 WeakPolarHBondContact O-CG2 3.4Å; L838-V842 PolarHBondContact O-N 2.85Å; L838-Y949 HydrophobicContact CB-CE1 4.3Å; L838-Y949 HydrophobicContact CD2-CD1 4.14Å; L838-Y949 HydrophobicContact CD2-CE1 4.02Å; L838-M956 HydrophobicContact CD1-CE 3.45Å; L838-M956 VanDerWaalsContact CD1-CE 3.45Å
839	E	97.5	Very high	93.8	Very high	33 Å²	33	21.7 Å²	21.7	15%	0.154	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-41.2	177.2	-170	-179.7	-162.8	0	0	111.9	R760 P835 T836 L841 V842 F843	R760-E839 WeakPolarHBondContact CB-OE1 3.42Å; R760-E839 WeakPolarHBondContact CG-OE1 3.3Å; R760-E839 IonicContact NE-OE1 3.35Å; P835-E839 PolarHBondContact O-N 2.93Å; T836-E839 PolarHBondContact O-N 3.17Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.45Å; E839-V842 WeakPolarHBondContact O-CB 3.47Å; E839-V842 PolarHBondContact O-N 2.89Å; E839-F843 HydrophobicContact CG-CD2 3.99Å; E839-F843 HydrophobicContact CG-CE2 3.65Å; E839-F843 HydrophobicContact CG-CZ 4.36Å; E839-F843 VanDerWaalsContact O-CD2 3.27Å; E839-F843 WeakPolarHBondContact O-CD2 3.31Å; E839-F843 PolarHBondContact O-N 3.05Å
840	N	97.7	Very high	95.2	Very high	14 Å²	14	20.6 Å²	20.6	8%	0.075	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-37.4	174.6	-75.2	-10.7	0	0	0	112.2	K818 C819 T836 L838 F843 F844	K818-N840 PolarHBondContact O-ND2 2.98Å; C819-N840 HydrophobicContact CB-CB 4.06Å; T836-N840 WeakPolarHBondContact O-CB 3.36Å; T836-N840 PolarHBondContact O-N 3.47Å; T836-N840 PolarHBondContact O-ND2 3.24Å; L838-N840 PolarHBondContact O-N 3.27Å; N840-F843 PolarHBondContact O-N 3Å; N840-F844 PolarHBondContact O-N 2.99Å
841	L	98	Very high	96.4	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-68.8	-40.7	176.4	-172.9	63.3	0	0	0	111.4	C819 L837 L838 E839 F844 V845 V904 I908 L953 M956	C819-L841 HydrophobicContact CB-CB 4.48Å; L837-L841 WeakPolarHBondContact O-CB 3.47Å; L837-L841 PolarHBondContact O-N 3.01Å; L838-L841 WeakPolarHBondContact O-CB 3.44Å; L838-L841 PolarHBondContact O-N 3.43Å; L838-L841 VanDerWaalsContact O-N 3.16Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.45Å; L841-F844 WeakPolarHBondContact O-CB 3.31Å; L841-F844 PolarHBondContact O-N 3.25Å; L841-V845 WeakPolarHBondContact O-CG2 3.43Å; L841-V845 PolarHBondContact O-N 3.33Å; L841-V904 HydrophobicContact CD1-CG1 3.91Å; L841-I908 HydrophobicContact CD1-CD1 4.23Å; L841-I908 HydrophobicContact CD1-CG1 4.31Å; L841-I908 HydrophobicContact CD2-CD1 3.99Å; L841-I908 HydrophobicContact CD2-CG1 3.76Å; L841-I908 HydrophobicContact CG-CD1 4.41Å; L841-L953 HydrophobicContact CD2-CD2 3.74Å; L841-M956 HydrophobicContact CB-SD 4.42Å; L841-M956 HydrophobicContact CD2-CE 3.66Å; L841-M956 HydrophobicContact CD2-SD 4.16Å; L841-M956 HydrophobicContact CG-CE 4.17Å; L841-M956 HydrophobicContact CG-SD 4.01Å
842	V	98.4	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.5	-47.6	172.2	172.3	0	0	0	0	110.6	E551 L838 E839 F844 V845 E846 M956	E551-V842 VanDerWaalsContact O-CG1 3.27Å; E551-V842 WeakPolarHBondContact O-CG1 3.45Å; L838-V842 WeakPolarHBondContact O-CG2 3.4Å; L838-V842 PolarHBondContact O-N 2.85Å; E839-V842 WeakPolarHBondContact O-CB 3.47Å; E839-V842 PolarHBondContact O-N 2.89Å; V842-F844 VanDerWaalsContact C-N 3.27Å; V842-F844 PolarHBondContact O-N 3.26Å; V842-V845 WeakPolarHBondContact O-CB 3.29Å; V842-V845 PolarHBondContact O-N 3.09Å; V842-V845 VanDerWaalsContact O-N 3.09Å; V842-E846 PolarHBondContact O-N 3.17Å; V842-M956 HydrophobicContact CB-SD 4.37Å; V842-M956 HydrophobicContact CG2-CE 4.48Å; V842-M956 HydrophobicContact CG2-SD 3.5Å; V842-M956 VanDerWaalsContact CG2-SD 3.5Å
843	F	98.4	Very high	97.4	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.013	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-36	175.9	-76.8	-50.4	0	0	0	113.1	R760 G763 F764 C769 E839 N840 T847	R760-F843 HydrophobicContact CB-CE1 4.37Å; R760-F843 HydrophobicContact CB-CZ 3.72Å; R760-F843 VanDerWaalsContact NH2-CE1 3.32Å; R760-F843 WeakPolarHBondContact O-CZ 3.42Å; G763-F843 VanDerWaalsContact C-CE2 3.49Å; F764-F843 HydrophobicContact CB-CE1 4.02Å; F764-F843 HydrophobicContact CB-CE2 4.37Å; F764-F843 HydrophobicContact CB-CZ 3.74Å; F764-F843 AromaticContact CD2-CD1 3.91Å; F764-F843 HydrophobicContact CD2-CD1 3.91Å; F764-F843 AromaticContact CD2-CE1 3.79Å; F764-F843 HydrophobicContact CD2-CE1 3.79Å; F764-F843 HydrophobicContact CD2-CZ 4.32Å; F764-F843 HydrophobicContact CG-CE1 4.33Å; C769-F843 HydrophobicContact CB-CB 4.49Å; E839-F843 HydrophobicContact CG-CD2 3.99Å; E839-F843 HydrophobicContact CG-CE2 3.65Å; E839-F843 HydrophobicContact CG-CZ 4.36Å; E839-F843 VanDerWaalsContact O-CD2 3.27Å; E839-F843 WeakPolarHBondContact O-CD2 3.31Å; E839-F843 PolarHBondContact O-N 3.05Å; N840-F843 PolarHBondContact O-N 3Å; F843-T847 WeakPolarHBondContact O-CB 3.28Å; F843-T847 PolarHBondContact O-N 3.32Å; F843-T847 PolarHBondContact O-OG1 3.42Å
844	F	98.4	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.9	-45.7	173.3	179.1	-88.2	0	0	0	111.1	L812 V815 F816 N840 L841 V842 T847 I848 L900 V904	L812-F844 HydrophobicContact CD2-CE2 4.41Å; V815-F844 HydrophobicContact CB-CD2 4.28Å; V815-F844 HydrophobicContact CG1-CB 4.19Å; V815-F844 HydrophobicContact CG1-CD2 3.82Å; F816-F844 HydrophobicContact CB-CD2 4.3Å; F816-F844 HydrophobicContact CB-CE2 3.93Å; N840-F844 PolarHBondContact O-N 2.99Å; L841-F844 WeakPolarHBondContact O-CB 3.31Å; L841-F844 PolarHBondContact O-N 3.25Å; V842-F844 VanDerWaalsContact C-N 3.27Å; V842-F844 PolarHBondContact O-N 3.26Å; F844-T847 PolarHBondContact O-N 3.06Å; F844-I848 HydrophobicContact CE1-CB 4.38Å; F844-I848 HydrophobicContact CE1-CG2 4.32Å; F844-I848 WeakPolarHBondContact O-CB 3.43Å; F844-I848 WeakPolarHBondContact O-CG2 3.25Å; F844-I848 PolarHBondContact O-N 2.95Å; F844-L900 HydrophobicContact CE2-CD2 4.33Å; F844-L900 HydrophobicContact CZ-CD2 4.27Å; F844-L900 HydrophobicContact CZ-CG 4.23Å; F844-V904 HydrophobicContact CD1-CG1 4.01Å; F844-V904 HydrophobicContact CD1-CG2 4.27Å; F844-V904 HydrophobicContact CE1-CB 4Å; F844-V904 HydrophobicContact CE1-CG1 3.83Å; F844-V904 HydrophobicContact CE1-CG2 3.43Å; F844-V904 VanDerWaalsContact CE1-CG2 3.43Å; F844-V904 HydrophobicContact CE2-CG2 4.31Å; F844-V904 HydrophobicContact CZ-CB 4.49Å; F844-V904 HydrophobicContact CZ-CG2 3.45Å; F844-V904 VanDerWaalsContact CZ-CG2 3.45Å
845	V	98.3	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-47.1	177.2	177.5	0	0	0	0	111.2	L841 V842 T847 I848 S849 M956 L959 L960	L841-V845 WeakPolarHBondContact O-CG2 3.43Å; L841-V845 PolarHBondContact O-N 3.33Å; V842-V845 WeakPolarHBondContact O-CB 3.29Å; V842-V845 PolarHBondContact O-N 3.09Å; V842-V845 VanDerWaalsContact O-N 3.09Å; V845-T847 VanDerWaalsContact C-N 3.35Å; V845-T847 PolarHBondContact O-N 3.33Å; V845-I848 WeakPolarHBondContact O-CG2 3.46Å; V845-S849 PolarHBondContact O-N 3.23Å; V845-S849 PolarHBondContact O-OG 2.82Å; V845-M956 HydrophobicContact CG2-CB 4.32Å; V845-M956 HydrophobicContact CG2-CG 4.36Å; V845-M956 HydrophobicContact CG2-SD 4.35Å; V845-L959 HydrophobicContact CG1-CD2 3.73Å; V845-L959 HydrophobicContact CG1-CG 4.38Å; V845-L960 HydrophobicContact CG1-CD2 4.34Å; V845-L960 HydrophobicContact CG2-CD1 3.86Å; V845-L960 HydrophobicContact CG2-CD2 4.07Å; V845-L960 HydrophobicContact CG2-CG 3.9Å
846	E	98.3	Very high	97.8	Very high	12 Å²	12	11.2 Å²	11.2	6%	0.056	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-45.6	176.5	-69	-178.4	-150.3	0	0	111.3	R690 R760 V842 S849 V850	R690-E846 IonicContact CZ-OE2 2.81Å; R690-E846 IonicContact NH1-OE2 3.78Å; R690-E846 PolarHBondContact NH1-OE2 3.16Å; R690-E846 IonicContact NH2-OE2 3.96Å; R760-E846 IonicContact CZ-OE1 3.46Å; R760-E846 IonicContact NH1-OE1 2.95Å; R760-E846 PolarHBondContact NH1-OE1 3Å; R760-E846 IonicContact NH2-OE1 3.67Å; R760-E846 PolarHBondContact NH2-OE1 3.48Å; V842-E846 PolarHBondContact O-N 3.17Å; E846-S849 WeakPolarHBondContact O-CB 3.4Å; E846-S849 PolarHBondContact O-N 3.34Å; E846-V850 PolarHBondContact O-N 2.89Å
847	T	98.5	Very high	97.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66	-48.9	-177.9	-62.1	0	0	0	0	111.5	C769 C772 Q773 L812 F843 F844 V845 S849 V850 I851	C769-T847 WeakPolarHBondContact CB-OG1 3.34Å; C769-T847 PolarHBondContact SG-OG1 3.16Å; C769-T847 VanDerWaalsContact SG-OG1 3.38Å; C772-T847 HydrophobicContact CB-CG2 4.03Å; Q773-T847 HydrophobicContact CG-CG2 3.94Å; Q773-T847 PolarHBondContact NE2-OG1 3.37Å; Q773-T847 VanDerWaalsContact NE2-OG1 3.12Å; L812-T847 HydrophobicContact CD2-CG2 4.16Å; F843-T847 WeakPolarHBondContact O-CB 3.28Å; F843-T847 PolarHBondContact O-N 3.32Å; F843-T847 PolarHBondContact O-OG1 3.42Å; F844-T847 PolarHBondContact O-N 3.06Å; V845-T847 VanDerWaalsContact C-N 3.35Å; V845-T847 PolarHBondContact O-N 3.33Å; T847-S849 PolarHBondContact O-N 2.82Å; T847-V850 WeakPolarHBondContact O-CB 3.33Å; T847-V850 PolarHBondContact O-N 3.03Å; T847-I851 HydrophobicContact CG2-CG1 4.33Å; T847-I851 WeakPolarHBondContact O-CG1 3.38Å; T847-I851 PolarHBondContact O-N 3.1Å
848	I	97.9	Very high	97.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.4	-32	-179.4	-164	65.1	0	0	0	111.4	L812 F844 V845 I851 L852 L897 I901 L960	L812-I848 HydrophobicContact CD1-CD1 3.68Å; L812-I848 HydrophobicContact CD2-CD1 4.07Å; F844-I848 HydrophobicContact CE1-CB 4.38Å; F844-I848 HydrophobicContact CE1-CG2 4.32Å; F844-I848 WeakPolarHBondContact O-CB 3.43Å; F844-I848 WeakPolarHBondContact O-CG2 3.25Å; F844-I848 PolarHBondContact O-N 2.95Å; V845-I848 WeakPolarHBondContact O-CG2 3.46Å; I848-I851 HydrophobicContact CD1-CB 4.43Å; I848-I851 PolarHBondContact O-N 2.91Å; I848-L852 HydrophobicContact CG1-CG 4.47Å; I848-L852 WeakPolarHBondContact O-CB 3.47Å; I848-L852 VanDerWaalsContact O-CG 3.22Å; I848-L852 WeakPolarHBondContact O-CG 3.26Å; I848-L852 PolarHBondContact O-N 3.46Å; I848-L897 HydrophobicContact CD1-CD2 3.93Å; I848-I901 HydrophobicContact CD1-CD1 4.3Å; I848-I901 HydrophobicContact CD1-CG1 4.26Å; I848-I901 HydrophobicContact CG1-CD1 3.89Å; I848-I901 HydrophobicContact CG1-CG1 3.87Å; I848-L960 HydrophobicContact CG2-CD2 3.85Å
849	S	98	Very high	97.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.5	-44.6	172.3	-80.2	0	0	0	0	112.7	L622 V845 E846 T847 I851 L852 W853 R963	L622-S849 WeakPolarHBondContact CD1-OG 3.42Å; V845-S849 PolarHBondContact O-N 3.23Å; V845-S849 PolarHBondContact O-OG 2.82Å; E846-S849 WeakPolarHBondContact O-CB 3.4Å; E846-S849 PolarHBondContact O-N 3.34Å; T847-S849 PolarHBondContact O-N 2.82Å; S849-I851 VanDerWaalsContact C-N 3.35Å; S849-I851 PolarHBondContact O-N 3.46Å; S849-L852 PolarHBondContact O-N 3.36Å; S849-W853 VanDerWaalsContact O-CD2 3.23Å; S849-W853 PolarHBondContact O-N 3.24Å; S849-R963 PolarHBondContact OG-NE 2.92Å
850	V	98.4	Very high	97.4	Very high	7 Å²	7	6.9 Å²	6.9	4%	0.042	4%	0.04	C	C	.	.	H	α-helix	trans	-59	-47	172.7	178.2	0	0	0	0	111	I697 F777 E846 T847 L852 W853 V854	I697-V850 HydrophobicContact CD1-CG2 3.86Å; I697-V850 HydrophobicContact CG1-CG1 4.42Å; F777-V850 HydrophobicContact CE1-CG1 4.16Å; F777-V850 HydrophobicContact CE2-CG1 4.37Å; F777-V850 HydrophobicContact CZ-CG1 3.73Å; E846-V850 PolarHBondContact O-N 2.89Å; T847-V850 WeakPolarHBondContact O-CB 3.33Å; T847-V850 PolarHBondContact O-N 3.03Å; V850-L852 VanDerWaalsContact C-N 3.3Å; V850-L852 PolarHBondContact O-N 3.37Å; V850-W853 HydrophobicContact CB-CE3 4.47Å; V850-W853 HydrophobicContact CG2-CE3 4.24Å; V850-W853 HydrophobicContact CG2-CZ3 4Å; V850-W853 PolarHBondContact O-N 2.95Å; V850-V854 PolarHBondContact O-N 3.48Å
851	I	98.3	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.8	-40.9	178.3	-58.8	-45	0	0	0	111.5	S776 L808 L812 T847 I848 S849 V854 S855 Y893 L897	S776-I851 VanDerWaalsContact OG-CD1 3.27Å; S776-I851 WeakPolarHBondContact OG-CD1 3.39Å; L808-I851 HydrophobicContact CD1-CD1 3.82Å; L808-I851 HydrophobicContact CD2-CD1 4.22Å; L808-I851 HydrophobicContact CD2-CG2 4.11Å; L808-I851 HydrophobicContact CG-CD1 4.44Å; L812-I851 HydrophobicContact CD1-CG1 4.25Å; L812-I851 HydrophobicContact CD1-CG2 4.22Å; L812-I851 HydrophobicContact CD2-CG1 4.23Å; T847-I851 HydrophobicContact CG2-CG1 4.33Å; T847-I851 WeakPolarHBondContact O-CG1 3.38Å; T847-I851 PolarHBondContact O-N 3.1Å; I848-I851 HydrophobicContact CD1-CB 4.43Å; I848-I851 PolarHBondContact O-N 2.91Å; S849-I851 VanDerWaalsContact C-N 3.35Å; S849-I851 PolarHBondContact O-N 3.46Å; I851-V854 PolarHBondContact O-N 3.02Å; I851-S855 VanDerWaalsContact O-CB 3.27Å; I851-S855 WeakPolarHBondContact O-CB 3.41Å; I851-S855 PolarHBondContact O-N 2.89Å; I851-S855 PolarHBondContact O-OG 3.14Å; I851-Y893 WeakPolarHBondContact CG2-OH 3.22Å; I851-L897 HydrophobicContact CG2-CD1 4.47Å; I851-L897 HydrophobicContact CG2-CD2 4.34Å
852	L	98.1	Very high	96.8	Very high	5 Å²	5	6.4 Å²	6.4	3%	0.026	4%	0.038	C	C	.	.	H	α-helix	trans	-68.4	-35.8	179.2	-72.5	176.6	0	0	0	112.4	I848 S849 V850 S855 S856 L897 I901 R963 T967 L970	I848-L852 HydrophobicContact CG1-CG 4.47Å; I848-L852 WeakPolarHBondContact O-CB 3.47Å; I848-L852 VanDerWaalsContact O-CG 3.22Å; I848-L852 WeakPolarHBondContact O-CG 3.26Å; I848-L852 PolarHBondContact O-N 3.46Å; S849-L852 PolarHBondContact O-N 3.36Å; V850-L852 VanDerWaalsContact C-N 3.3Å; V850-L852 PolarHBondContact O-N 3.37Å; L852-S855 PolarHBondContact O-N 3.09Å; L852-S856 WeakPolarHBondContact O-CB 3.49Å; L852-S856 PolarHBondContact O-N 3.1Å; L852-L897 HydrophobicContact CD2-CD1 4.33Å; L852-I901 HydrophobicContact CD1-CD1 4.19Å; L852-I901 HydrophobicContact CD2-CD1 4.34Å; L852-R963 HydrophobicContact CD1-CB 4.07Å; L852-T967 HydrophobicContact CD2-CG2 3.76Å; L852-L970 HydrophobicContact CD2-CD1 3.98Å
853	W	98	Very high	96.5	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.027	5%	0.053	C	C	.	.	H	α-helix	trans	-65.1	-45.2	172.8	-64.2	-39.6	0	0	0	111.8	L621 A625 L631 I697 L700 S849 V850 S856 Y857	L621-W853 HydrophobicContact CB-CH2 3.87Å; L621-W853 HydrophobicContact CB-CZ2 4.1Å; L621-W853 VanDerWaalsContact O-CZ2 3.26Å; L621-W853 WeakPolarHBondContact O-CZ2 3.41Å; A625-W853 HydrophobicContact CB-CZ2 4.45Å; A625-W853 PolarHBondContact O-NE1 3.47Å; L631-W853 HydrophobicContact CD2-CB 4.03Å; L631-W853 HydrophobicContact CD2-CG 4.13Å; I697-W853 HydrophobicContact CD1-CE3 4.16Å; I697-W853 HydrophobicContact CD1-CZ3 3.89Å; I697-W853 HydrophobicContact CG1-CE3 4.26Å; I697-W853 HydrophobicContact CG1-CZ3 4.49Å; I697-W853 HydrophobicContact CG2-CD2 4.42Å; I697-W853 HydrophobicContact CG2-CE3 3.74Å; I697-W853 HydrophobicContact CG2-CZ3 4.15Å; L700-W853 HydrophobicContact CD1-CB 3.96Å; S849-W853 VanDerWaalsContact O-CD2 3.23Å; S849-W853 PolarHBondContact O-N 3.24Å; V850-W853 HydrophobicContact CB-CE3 4.47Å; V850-W853 HydrophobicContact CG2-CE3 4.24Å; V850-W853 HydrophobicContact CG2-CZ3 4Å; V850-W853 PolarHBondContact O-N 2.95Å; W853-S856 WeakPolarHBondContact O-CB 3.38Å; W853-S856 PolarHBondContact O-N 3.15Å; W853-Y857 PolarHBondContact O-N 3Å; W853-Y857 VanDerWaalsContact O-N 3.09Å
854	V	97.6	Very high	96.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-44.4	174.1	168.3	0	0	0	0	111.2	L700 S776 F777 L779 V780 V850 I851 S856 Y857 C858	L700-V854 HydrophobicContact CD1-CG2 3.98Å; L700-V854 HydrophobicContact CD2-CG2 4.23Å; S776-V854 WeakPolarHBondContact OG-CB 3.49Å; S776-V854 WeakPolarHBondContact OG-CG1 3.37Å; S776-V854 WeakPolarHBondContact OG-CG2 3.42Å; F777-V854 HydrophobicContact CD1-CG2 4.43Å; F777-V854 HydrophobicContact CE1-CG2 4.46Å; L779-V854 HydrophobicContact CD2-CG1 4.45Å; V780-V854 HydrophobicContact CG2-CB 4.18Å; V780-V854 HydrophobicContact CG2-CG1 3.52Å; V780-V854 HydrophobicContact CG2-CG2 3.72Å; V850-V854 PolarHBondContact O-N 3.48Å; I851-V854 PolarHBondContact O-N 3.02Å; V854-S856 PolarHBondContact O-N 3.45Å; V854-Y857 WeakPolarHBondContact O-CA 3.3Å; V854-Y857 VanDerWaalsContact O-CB 3.3Å; V854-Y857 WeakPolarHBondContact O-CB 3.47Å; V854-Y857 PolarHBondContact O-N 3.12Å; V854-C858 PolarHBondContact O-N 3.04Å; V854-C858 PolarHBondContact O-SG 3.39Å
855	S	97.1	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-33.6	178.7	-56.7	0	0	0	0	111.8	I851 L852 C858 E859 Y893	I851-S855 VanDerWaalsContact O-CB 3.27Å; I851-S855 WeakPolarHBondContact O-CB 3.41Å; I851-S855 PolarHBondContact O-N 2.89Å; I851-S855 PolarHBondContact O-OG 3.14Å; L852-S855 PolarHBondContact O-N 3.09Å; S855-C858 PolarHBondContact O-N 3.37Å; S855-E859 WeakPolarHBondContact O-CB 3.4Å; S855-E859 PolarHBondContact O-N 3.38Å; S855-Y893 WeakPolarHBondContact OG-CE1 3.48Å; S855-Y893 PolarHBondContact OG-OH 3.38Å; S855-Y893 VanDerWaalsContact OG-OH 3.06Å
856	S	96.3	Very high	95.1	Very high	33 Å²	33	16.7 Å²	16.7	23%	0.231	9%	0.085	C	C	.	.	H	α-helix	trans	-67.1	-35.2	172.1	-169.2	0	0	0	0	112.6	L852 W853 V854 S860 L970	L852-S856 WeakPolarHBondContact O-CB 3.49Å; L852-S856 PolarHBondContact O-N 3.1Å; W853-S856 WeakPolarHBondContact O-CB 3.38Å; W853-S856 PolarHBondContact O-N 3.15Å; V854-S856 PolarHBondContact O-N 3.45Å; S856-S860 PolarHBondContact O-N 2.96Å; S856-S860 VanDerWaalsContact O-N 3.11Å; S856-L970 VanDerWaalsContact CA-CD2 3.46Å
857	Y	95.6	Very high	94.6	Very high	6 Å²	6	19.9 Å²	19.9	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-47.9	170.8	166.4	-104.9	0	0	0	110.9	L703 N704 V780 I783 W853 V854 E859 S860 V861	L703-Y857 HydrophobicContact CB-CD2 4.37Å; L703-Y857 HydrophobicContact CB-CE2 3.61Å; L703-Y857 HydrophobicContact CD1-CE2 4.31Å; N704-Y857 WeakPolarHBondContact OD1-CD2 3.48Å; N704-Y857 WeakPolarHBondContact OD1-CE2 3.34Å; V780-Y857 HydrophobicContact CB-CE1 4.43Å; V780-Y857 HydrophobicContact CG1-CD1 4.01Å; V780-Y857 HydrophobicContact CG1-CE1 3.73Å; V780-Y857 HydrophobicContact CG2-CD1 4.35Å; I783-Y857 HydrophobicContact CB-CE1 4.2Å; I783-Y857 HydrophobicContact CG2-CD1 4.26Å; I783-Y857 HydrophobicContact CG2-CE1 3.64Å; W853-Y857 PolarHBondContact O-N 3Å; W853-Y857 VanDerWaalsContact O-N 3.09Å; V854-Y857 WeakPolarHBondContact O-CA 3.3Å; V854-Y857 VanDerWaalsContact O-CB 3.3Å; V854-Y857 WeakPolarHBondContact O-CB 3.47Å; V854-Y857 PolarHBondContact O-N 3.12Å; Y857-E859 VanDerWaalsContact C-N 3.28Å; Y857-E859 PolarHBondContact O-N 3.4Å; Y857-S860 PolarHBondContact O-N 2.98Å; Y857-S860 PolarHBondContact O-OG 2.85Å; Y857-V861 HydrophobicContact CE1-CG2 4.48Å; Y857-V861 HydrophobicContact CE2-CG2 3.93Å; Y857-V861 PolarHBondContact O-N 3.26Å
858	C	95.4	Very high	94	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-44.7	175.6	-55.1	0	0	0	0	112	I783 V854 S855 S860 V861 L862 F890	I783-C858 HydrophobicContact CD1-CB 4.24Å; I783-C858 HydrophobicContact CG1-CB 4.42Å; V854-C858 PolarHBondContact O-N 3.04Å; V854-C858 PolarHBondContact O-SG 3.39Å; S855-C858 PolarHBondContact O-N 3.37Å; C858-S860 VanDerWaalsContact C-N 3.33Å; C858-S860 PolarHBondContact O-N 3.28Å; C858-V861 PolarHBondContact O-N 3.23Å; C858-L862 WeakPolarHBondContact O-CB 3.46Å; C858-L862 VanDerWaalsContact O-CG 3.29Å; C858-L862 WeakPolarHBondContact O-CG 3.28Å; C858-L862 PolarHBondContact O-N 3.32Å; C858-F890 HydrophobicContact CB-CE2 3.88Å; C858-F890 HydrophobicContact CB-CZ 4.45Å
859	E	95.2	Very high	93.3	Very high	19 Å²	19	24.9 Å²	24.9	9%	0.089	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-48	174.8	-178	-87	118.5	0	0	111.7	S855 Y857 V861 L862 R863 F890 L970 I972	S855-E859 WeakPolarHBondContact O-CB 3.4Å; S855-E859 PolarHBondContact O-N 3.38Å; Y857-E859 VanDerWaalsContact C-N 3.28Å; Y857-E859 PolarHBondContact O-N 3.4Å; E859-V861 PolarHBondContact O-N 3.15Å; E859-L862 PolarHBondContact O-N 3.34Å; E859-L862 VanDerWaalsContact O-N 3.16Å; E859-R863 WeakPolarHBondContact O-CB 3.33Å; E859-R863 PolarHBondContact O-N 2.89Å; E859-R863 WeakPolarHBondContact OE1-CB 3.49Å; E859-R863 WeakPolarHBondContact OE1-CD 3.45Å; E859-R863 IonicContact OE1-CZ 2.6Å; E859-R863 IonicContact OE1-NE 2.7Å; E859-R863 PolarHBondContact OE1-NE 3.28Å; E859-R863 IonicContact OE1-NH1 3.2Å; E859-R863 PolarHBondContact OE1-NH1 3.26Å; E859-R863 IonicContact OE1-NH2 3.88Å; E859-R863 PolarHBondContact OE1-NH2 3.34Å; E859-R863 IonicContact OE2-CZ 2.83Å; E859-R863 IonicContact OE2-NH1 3.44Å; E859-R863 PolarHBondContact OE2-NH1 3.3Å; E859-R863 IonicContact OE2-NH2 2.79Å; E859-F890 HydrophobicContact CB-CE1 4.29Å; E859-F890 HydrophobicContact CB-CZ 3.97Å; E859-L970 HydrophobicContact CB-CD2 4.27Å; E859-I972 HydrophobicContact CG-CG2 3.51Å
860	S	93.1	Very high	92.6	Very high	36 Å²	36	28.7 Å²	28.7	25%	0.252	15%	0.147	S	C	.	.	H	α-helix	trans	-62.5	-27.9	-176.6	74.2	0	0	0	0	113.6	N704 S856 Y857 C858 P864	N704-S860 PolarHBondContact ND2-OG 3.1Å; N704-S860 PolarHBondContact OD1-OG 3.33Å; S856-S860 PolarHBondContact O-N 2.96Å; S856-S860 VanDerWaalsContact O-N 3.11Å; Y857-S860 PolarHBondContact O-N 2.98Å; Y857-S860 PolarHBondContact O-OG 2.85Å; C858-S860 VanDerWaalsContact C-N 3.33Å; C858-S860 PolarHBondContact O-N 3.28Å; S860-P864 WeakPolarHBondContact O-CD 3.49Å; S860-P864 WeakPolarHBondContact O-CG 2.92Å
861	V	91.9	Very high	91.7	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-79.7	-48.3	172.4	174.6	0	0	0	0	111.2	I783 D787 Y857 C858 E859 P864 Y865	I783-V861 HydrophobicContact CG2-CB 4.01Å; I783-V861 HydrophobicContact CG2-CG1 4.13Å; I783-V861 HydrophobicContact CG2-CG2 3.94Å; D787-V861 HydrophobicContact CB-CG1 3.71Å; Y857-V861 HydrophobicContact CE1-CG2 4.48Å; Y857-V861 HydrophobicContact CE2-CG2 3.93Å; Y857-V861 PolarHBondContact O-N 3.26Å; C858-V861 PolarHBondContact O-N 3.23Å; E859-V861 PolarHBondContact O-N 3.15Å; V861-P864 WeakPolarHBondContact O-CD 3.42Å; V861-Y865 HydrophobicContact CG1-CD2 4.35Å; V861-Y865 HydrophobicContact CG1-CE2 4.13Å; V861-Y865 WeakPolarHBondContact O-CD2 3.44Å
862	L	91.9	Very high	90.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74	-35.8	-171.9	-67	176.7	0	0	0	113.4	L786 C858 E859 Y865 K866 V886 F887 F890 I972	L786-L862 HydrophobicContact CD2-CD2 4.08Å; C858-L862 WeakPolarHBondContact O-CB 3.46Å; C858-L862 VanDerWaalsContact O-CG 3.29Å; C858-L862 WeakPolarHBondContact O-CG 3.28Å; C858-L862 PolarHBondContact O-N 3.32Å; E859-L862 PolarHBondContact O-N 3.34Å; E859-L862 VanDerWaalsContact O-N 3.16Å; L862-Y865 PolarHBondContact O-N 3.01Å; L862-K866 PolarHBondContact O-N 3.24Å; L862-V886 HydrophobicContact CD2-CG2 4.42Å; L862-F887 HydrophobicContact CB-CD1 4.46Å; L862-F887 HydrophobicContact CB-CE1 4.05Å; L862-F887 HydrophobicContact CD2-CE1 4.22Å; L862-F887 WeakPolarHBondContact O-CE1 3.33Å; L862-F890 HydrophobicContact CD1-CB 4.04Å; L862-F890 HydrophobicContact CD1-CD1 4.16Å; L862-F890 HydrophobicContact CD1-CD2 4.16Å; L862-F890 HydrophobicContact CD1-CG 3.85Å; L862-I972 HydrophobicContact CB-CD1 3.71Å; L862-I972 HydrophobicContact CD1-CD1 4.34Å
863	R	91.6	Very high	89.4	Confident	82 Å²	82	44.4 Å²	44.4	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-48.3	-177	177	179.5	-77	152	0.1	112.7	E859 Y865 K866 L867 K969 K971 I972	E859-R863 WeakPolarHBondContact O-CB 3.33Å; E859-R863 PolarHBondContact O-N 2.89Å; E859-R863 WeakPolarHBondContact OE1-CB 3.49Å; E859-R863 WeakPolarHBondContact OE1-CD 3.45Å; E859-R863 IonicContact OE1-CZ 2.6Å; E859-R863 IonicContact OE1-NE 2.7Å; E859-R863 PolarHBondContact OE1-NE 3.28Å; E859-R863 IonicContact OE1-NH1 3.2Å; E859-R863 PolarHBondContact OE1-NH1 3.26Å; E859-R863 IonicContact OE1-NH2 3.88Å; E859-R863 PolarHBondContact OE1-NH2 3.34Å; E859-R863 IonicContact OE2-CZ 2.83Å; E859-R863 IonicContact OE2-NH1 3.44Å; E859-R863 PolarHBondContact OE2-NH1 3.3Å; E859-R863 IonicContact OE2-NH2 2.79Å; R863-Y865 VanDerWaalsContact C-N 3.34Å; R863-Y865 PolarHBondContact O-N 3.26Å; R863-K866 PolarHBondContact O-N 3.1Å; R863-L867 HydrophobicContact CG-CD1 4.07Å; R863-L867 WeakPolarHBondContact O-CG 3.3Å; R863-L867 PolarHBondContact O-N 2.97Å; R863-K969 PolarHBondContact NH2-O 2.84Å; R863-K971 PolarHBondContact NH2-O 3Å; R863-I972 HydrophobicContact CB-CG2 3.85Å; R863-I972 HydrophobicContact CG-CG2 4.46Å
864	P	90.2	Very high	88.1	Confident	53 Å²	53	54.4 Å²	54.4	34%	0.344	25%	0.252	S	S	.	.	H	α-helix	trans	-56.1	-43.2	173.6	-26.1	33.2	0	0	0	113.7	S860 V861 L867 N868	S860-P864 WeakPolarHBondContact O-CD 3.49Å; S860-P864 WeakPolarHBondContact O-CG 2.92Å; V861-P864 WeakPolarHBondContact O-CD 3.42Å; P864-L867 PolarHBondContact O-N 2.86Å; P864-N868 WeakPolarHBondContact O-CB 3.49Å; P864-N868 VanDerWaalsContact O-CG 3.23Å; P864-N868 PolarHBondContact O-N 3.08Å; P864-N868 PolarHBondContact O-ND2 3.49Å
865	Y	88.7	Confident	86.6	Confident	49 Å²	49	63.4 Å²	63.4	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-46.2	178.5	-81.1	-63.5	0	0	0	112.3	D787 L791 V861 L862 R863 L867 N868 L869	D787-Y865 PolarHBondContact O-OH 3.06Å; D787-Y865 WeakPolarHBondContact OD1-CE2 3.37Å; D787-Y865 PolarHBondContact OD1-OH 3.21Å; L791-Y865 HydrophobicContact CD1-CD1 3.75Å; L791-Y865 HydrophobicContact CD1-CG 3.92Å; L791-Y865 HydrophobicContact CD2-CG 4.44Å; L791-Y865 HydrophobicContact CG-CD1 3.7Å; L791-Y865 HydrophobicContact CG-CE1 4.19Å; L791-Y865 HydrophobicContact CG-CG 3.97Å; V861-Y865 HydrophobicContact CG1-CD2 4.35Å; V861-Y865 HydrophobicContact CG1-CE2 4.13Å; V861-Y865 WeakPolarHBondContact O-CD2 3.44Å; L862-Y865 PolarHBondContact O-N 3.01Å; R863-Y865 VanDerWaalsContact C-N 3.34Å; R863-Y865 PolarHBondContact O-N 3.26Å; Y865-L867 PolarHBondContact O-N 3.46Å; Y865-N868 PolarHBondContact O-N 2.92Å; Y865-L869 WeakPolarHBondContact O-CG 3.43Å; Y865-L869 PolarHBondContact O-N 3.37Å
866	K	87.7	Confident	85	Confident	34 Å²	34	69.7 Å²	69.7	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-45.3	176.3	-174.7	163.7	177.6	176.9	0	112	L862 R863 N868 L869 Q870 M883 F887 I972	L862-K866 PolarHBondContact O-N 3.24Å; R863-K866 PolarHBondContact O-N 3.1Å; K866-N868 VanDerWaalsContact C-N 3.33Å; K866-N868 PolarHBondContact O-N 3.08Å; K866-L869 PolarHBondContact O-N 3.36Å; K866-Q870 WeakPolarHBondContact O-CG 3.42Å; K866-Q870 PolarHBondContact O-N 2.91Å; K866-M883 HydrophobicContact CD-CE 4.23Å; K866-M883 HydrophobicContact CG-CE 3.88Å; K866-F887 HydrophobicContact CB-CD1 4.02Å; K866-F887 HydrophobicContact CB-CE1 3.64Å; K866-F887 HydrophobicContact CB-CZ 4.07Å; K866-F887 HydrophobicContact CD-CD1 4.05Å; K866-F887 HydrophobicContact CD-CG 4.47Å; K866-F887 HydrophobicContact CG-CD1 4.43Å; K866-F887 HydrophobicContact CG-CE1 4.48Å; K866-I972 HydrophobicContact CD-CB 4.39Å; K866-I972 HydrophobicContact CD-CD1 4.47Å; K866-I972 HydrophobicContact CD-CG1 4.27Å; K866-I972 WeakPolarHBondContact CD-OXT 3.36Å; K866-I972 VanDerWaalsContact CE-OXT 3.29Å; K866-I972 WeakPolarHBondContact CE-OXT 3.46Å; K866-I972 PolarHBondContact NZ-O 3.3Å; K866-I972 PolarHBondContact NZ-OXT 2.71Å
867	L	87.3	Confident	83	Confident	80 Å²	80	77.4 Å²	77.4	42%	0.419	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177.4	-70.9	173.7	0	0	0	112	R863 P864 Y865 Q870 K871	R863-L867 HydrophobicContact CG-CD1 4.07Å; R863-L867 WeakPolarHBondContact O-CG 3.3Å; R863-L867 PolarHBondContact O-N 2.97Å; P864-L867 PolarHBondContact O-N 2.86Å; Y865-L867 PolarHBondContact O-N 3.46Å; L867-Q870 PolarHBondContact O-N 3.41Å; L867-K871 WeakPolarHBondContact O-CB 3.28Å; L867-K871 VanDerWaalsContact O-CG 3.29Å; L867-K871 WeakPolarHBondContact O-CG 3.43Å; L867-K871 PolarHBondContact O-N 3.22Å
868	N	86.3	Confident	80.9	Confident	83 Å²	83	81.3 Å²	81.3	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.7	-74.9	-23	0	0	0	112.2	P864 Y865 K866 K871 K872	P864-N868 WeakPolarHBondContact O-CB 3.49Å; P864-N868 VanDerWaalsContact O-CG 3.23Å; P864-N868 PolarHBondContact O-N 3.08Å; P864-N868 PolarHBondContact O-ND2 3.49Å; Y865-N868 PolarHBondContact O-N 2.92Å; K866-N868 VanDerWaalsContact C-N 3.33Å; K866-N868 PolarHBondContact O-N 3.08Å; N868-K871 PolarHBondContact O-N 2.75Å; N868-K872 WeakPolarHBondContact O-CG 3.45Å; N868-K872 PolarHBondContact O-N 2.89Å
869	L	83.6	Confident	78.7	Confident	21 Å²	21	87.9 Å²	87.9	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-64	-43.8	173.6	-71.6	173.3	0	0	0	112	L791 Y865 K866 K871 K872 K873 I881 M883 P884 F887	L791-L869 HydrophobicContact CD1-CD1 3.76Å; L791-L869 HydrophobicContact CD1-CG 4.39Å; Y865-L869 WeakPolarHBondContact O-CG 3.43Å; Y865-L869 PolarHBondContact O-N 3.37Å; K866-L869 PolarHBondContact O-N 3.36Å; L869-K871 VanDerWaalsContact C-N 3.34Å; L869-K871 PolarHBondContact O-N 2.83Å; L869-K872 PolarHBondContact O-N 2.6Å; L869-K873 PolarHBondContact O-N 3.32Å; L869-I881 HydrophobicContact CD2-CG2 4.44Å; L869-M883 HydrophobicContact CB-SD 4.47Å; L869-M883 HydrophobicContact CD1-CE 4.43Å; L869-M883 HydrophobicContact CD1-SD 4.31Å; L869-P884 HydrophobicContact CD1-CG 4.14Å; L869-F887 HydrophobicContact CD1-CE2 3.85Å; L869-F887 HydrophobicContact CD1-CZ 4.35Å
870	Q	82	Confident	76.6	Confident	81 Å²	81	91.7 Å²	91.7	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-38.6	175.8	-71.5	178.6	-1	0	0	112.4	K866 L867 K873 R874	K866-Q870 WeakPolarHBondContact O-CG 3.42Å; K866-Q870 PolarHBondContact O-N 2.91Å; L867-Q870 PolarHBondContact O-N 3.41Å; Q870-K873 PolarHBondContact O-N 2.9Å; Q870-R874 WeakPolarHBondContact O-CG 3.33Å; Q870-R874 PolarHBondContact O-N 3.17Å; Q870-R874 VanDerWaalsContact O-N 3.09Å
871	K	80.3	Confident	75	Confident	127 Å²	127	91.8 Å²	91.8	55%	0.552	43%	0.433	S	S	*	.	H	α-helix	trans	-65	-42.3	173.1	-75.5	174.1	-176.1	175.3	0	111.9	L867 N868 L869 R874 K875	L867-K871 WeakPolarHBondContact O-CB 3.28Å; L867-K871 VanDerWaalsContact O-CG 3.29Å; L867-K871 WeakPolarHBondContact O-CG 3.43Å; L867-K871 PolarHBondContact O-N 3.22Å; N868-K871 PolarHBondContact O-N 2.75Å; L869-K871 VanDerWaalsContact C-N 3.34Å; L869-K871 PolarHBondContact O-N 2.83Å; K871-R874 PolarHBondContact O-N 3.47Å; K871-K875 PolarHBondContact O-N 2.94Å
872	K	75.7	Confident	73.8	Confident	111 Å²	111	98.7 Å²	98.7	48%	0.483	47%	0.467	S	S	.	.	H	α-helix	trans	-60.7	-45	174.5	-77.6	-179.2	178.1	179.9	0	111.4	N868 L869 R874 K875 K876 I881	N868-K872 WeakPolarHBondContact O-CG 3.45Å; N868-K872 PolarHBondContact O-N 2.89Å; L869-K872 PolarHBondContact O-N 2.6Å; K872-R874 PolarHBondContact O-N 2.91Å; K872-K875 PolarHBondContact O-N 2.89Å; K872-K876 PolarHBondContact O-N 3.05Å; K872-I881 HydrophobicContact CB-CD1 4.28Å
873	K	72.5	Confident	73	Confident	104 Å²	104	101.8 Å²	101.8	45%	0.452	48%	0.483	S	S	.	.	H	α-helix	trans	-56.9	-45.3	175.5	-168.1	174.3	-179.6	171.8	0	112.3	L869 Q870 I881	L869-K873 PolarHBondContact O-N 3.32Å; Q870-K873 PolarHBondContact O-N 2.9Å; K873-I881 HydrophobicContact CB-CD1 3.95Å
874	R	69.9	Low	72.5	Confident	216 Å²	216	98.8 Å²	98.8	82%	0.815	47%	0.474	S	S	*	.	H	α-helix	trans	-66.9	-36.5	177.4	-73.1	-178	-179.8	-178.8	1.6	113.2	Q870 K871 K872	Q870-R874 WeakPolarHBondContact O-CG 3.33Å; Q870-R874 PolarHBondContact O-N 3.17Å; Q870-R874 VanDerWaalsContact O-N 3.09Å; K871-R874 PolarHBondContact O-N 3.47Å; K872-R874 PolarHBondContact O-N 2.91Å
875	K	66.8	Low	72.1	Confident	189 Å²	189	99.4 Å²	99.4	82%	0.822	48%	0.478	S	S	*	.	H	α-helix	trans	-76	-36.8	-178.8	-78.5	-172.5	176.5	-174.9	0	113.9	K871 K872	K871-K875 PolarHBondContact O-N 2.94Å; K872-K875 PolarHBondContact O-N 2.89Å
876	K	62.2	Low	72	Confident	133 Å²	133	97 Å²	97	58%	0.578	47%	0.469	S	S	*	.	H	α-helix	trans	-90.8	-7.2	-172.8	-75.2	-168.8	172.1	-171.1	0	115.9	K872 E878	K872-K876 PolarHBondContact O-N 3.05Å; K876-E878 HydrophobicContact CB-CB 4.31Å; K876-E878 HydrophobicContact CB-CG 3.97Å; K876-E878 WeakPolarHBondContact CD-OE1 3.36Å; K876-E878 VanDerWaalsContact CD-OE2 3.29Å; K876-E878 WeakPolarHBondContact CD-OE2 3.43Å; K876-E878 IonicContact NZ-OE1 3.76Å; K876-E878 PolarHBondContact O-N 3.27Å
877	K	54.7	Low	72	Confident	194 Å²	194	95.6 Å²	95.6	84%	0.843	46%	0.462	S	S	*	.			trans	49.9	23	-169.4	-68.9	-174.3	177.1	178.8	0	113.4
878	E	50.8	Low	72.1	Confident	88 Å²	88	95.6 Å²	95.6	41%	0.411	47%	0.466	S	S	.	.			trans	-76.6	125	175.2	-81	168	177	0	0	109	K876 S880	K876-E878 HydrophobicContact CB-CB 4.31Å; K876-E878 HydrophobicContact CB-CG 3.97Å; K876-E878 WeakPolarHBondContact CD-OE1 3.36Å; K876-E878 VanDerWaalsContact CD-OE2 3.29Å; K876-E878 WeakPolarHBondContact CD-OE2 3.43Å; K876-E878 IonicContact NZ-OE1 3.76Å; K876-E878 PolarHBondContact O-N 3.27Å; E878-S880 VanDerWaalsContact C-N 3.34Å
879	T	50.5	Low	72.3	Confident	139 Å²	139	92.5 Å²	92.5	85%	0.853	45%	0.451	S	S	*	.	S	Bend	trans	-75.3	-18.3	-177.7	32.3	0	0	0	0	113.5
880	S	51.6	Low	72.8	Confident	99 Å²	99	91.5 Å²	91.5	69%	0.692	45%	0.445	S	S	*	.			trans	-134	76	-176.1	68	0	0	0	0	113.9	E878	E878-S880 VanDerWaalsContact C-N 3.34Å
881	I	59.4	Low	73.3	Confident	38 Å²	38	90 Å²	90	20%	0.195	44%	0.438	C	S	.	.			trans	-90.1	109.2	154.3	-68.4	174.9	0	0	0	106.3	L869 K872 K873 M883	L869-I881 HydrophobicContact CD2-CG2 4.44Å; K872-I881 HydrophobicContact CB-CD1 4.28Å; K873-I881 HydrophobicContact CB-CD1 3.95Å; I881-M883 PolarHBondContact O-N 3.02Å
882	I	66.7	Low	74	Confident	151 Å²	151	88.8 Å²	88.8	77%	0.774	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-67.5	124.2	173.5	-64.5	172.5	0	0	0	107	P884	I882-P884 WeakPolarHBondContact O-CD 3.22Å
883	M	75.6	Confident	75	Confident	66 Å²	66	83.8 Å²	83.8	33%	0.325	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-70.7	128.8	173.3	-79.7	-61.6	-59.4	0	0	108.5	K866 L869 I881 F887	K866-M883 HydrophobicContact CD-CE 4.23Å; K866-M883 HydrophobicContact CG-CE 3.88Å; L869-M883 HydrophobicContact CB-SD 4.47Å; L869-M883 HydrophobicContact CD1-CE 4.43Å; L869-M883 HydrophobicContact CD1-SD 4.31Å; I881-M883 PolarHBondContact O-N 3.02Å; M883-F887 HydrophobicContact CE-CB 4.06Å; M883-F887 HydrophobicContact CE-CD1 4.45Å; M883-F887 HydrophobicContact CE-CD2 3.28Å; M883-F887 HydrophobicContact CE-CE2 3.75Å; M883-F887 HydrophobicContact CE-CG 3.67Å
884	P	80.6	Confident	76.1	Confident	18 Å²	18	78.8 Å²	78.8	12%	0.117	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-53.6	139.3	175.4	-30.5	36.9	0	0	0	112.3	L791 L869 I882 V886 F887	L791-P884 HydrophobicContact CD1-CG 4.38Å; L869-P884 HydrophobicContact CD1-CG 4.14Å; I882-P884 WeakPolarHBondContact O-CD 3.22Å; P884-V886 HydrophobicContact CB-CG1 4.06Å; P884-V886 PolarHBondContact O-N 3.37Å; P884-V886 VanDerWaalsContact O-N 3.15Å; P884-F887 HydrophobicContact CB-CD2 3.93Å; P884-F887 HydrophobicContact CB-CE2 3.95Å; P884-F887 HydrophobicContact CG-CD2 4.18Å; P884-F887 HydrophobicContact CG-CE2 3.84Å; P884-F887 WeakPolarHBondContact O-CD2 3.19Å; P884-F887 PolarHBondContact O-N 3.22Å
885	P	81.6	Confident	77.4	Confident	66 Å²	66	71 Å²	71	43%	0.429	37%	0.371	S	S	.	.	H	α-helix	trans	-53.8	-35.3	-177.1	-28.1	35.3	0	0	0	114	F887 T888 S889	P885-F887 PolarHBondContact O-N 2.92Å; P885-T888 PolarHBondContact O-N 2.91Å; P885-S889 PolarHBondContact O-N 2.99Å; P885-S889 PolarHBondContact O-OG 3.26Å; P885-S889 VanDerWaalsContact O-OG 3.08Å
886	V	85.9	Confident	78.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-51.3	-31.9	-179.5	70.2	0	0	0	0	114	Q798 I801 F805 L862 P884 F890	Q798-V886 HydrophobicContact CB-CB 4.41Å; Q798-V886 HydrophobicContact CG-CB 4.39Å; Q798-V886 HydrophobicContact CG-CG1 4.43Å; I801-V886 HydrophobicContact CB-CG2 4.46Å; I801-V886 HydrophobicContact CG2-CG2 3.76Å; F805-V886 HydrophobicContact CE2-CG2 4.47Å; L862-V886 HydrophobicContact CD2-CG2 4.42Å; P884-V886 HydrophobicContact CB-CG1 4.06Å; P884-V886 PolarHBondContact O-N 3.37Å; P884-V886 VanDerWaalsContact O-N 3.15Å; V886-F890 VanDerWaalsContact O-CB 3.28Å; V886-F890 WeakPolarHBondContact O-CB 3.34Å; V886-F890 PolarHBondContact O-N 3.48Å
887	F	88.1	Confident	80.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-72.7	-38.1	178.1	-65.6	-67.2	0	0	0	113.1	L791 L862 K866 L869 M883 P884 P885 Q891 I972	L791-F887 HydrophobicContact CD1-CE2 4.08Å; L791-F887 HydrophobicContact CD1-CZ 4Å; L862-F887 HydrophobicContact CB-CD1 4.46Å; L862-F887 HydrophobicContact CB-CE1 4.05Å; L862-F887 HydrophobicContact CD2-CE1 4.22Å; L862-F887 WeakPolarHBondContact O-CE1 3.33Å; K866-F887 HydrophobicContact CB-CD1 4.02Å; K866-F887 HydrophobicContact CB-CE1 3.64Å; K866-F887 HydrophobicContact CB-CZ 4.07Å; K866-F887 HydrophobicContact CD-CD1 4.05Å; K866-F887 HydrophobicContact CD-CG 4.47Å; K866-F887 HydrophobicContact CG-CD1 4.43Å; K866-F887 HydrophobicContact CG-CE1 4.48Å; L869-F887 HydrophobicContact CD1-CE2 3.85Å; L869-F887 HydrophobicContact CD1-CZ 4.35Å; M883-F887 HydrophobicContact CE-CB 4.06Å; M883-F887 HydrophobicContact CE-CD1 4.45Å; M883-F887 HydrophobicContact CE-CD2 3.28Å; M883-F887 HydrophobicContact CE-CE2 3.75Å; M883-F887 HydrophobicContact CE-CG 3.67Å; P884-F887 HydrophobicContact CB-CD2 3.93Å; P884-F887 HydrophobicContact CB-CE2 3.95Å; P884-F887 HydrophobicContact CG-CD2 4.18Å; P884-F887 HydrophobicContact CG-CE2 3.84Å; P884-F887 WeakPolarHBondContact O-CD2 3.19Å; P884-F887 PolarHBondContact O-N 3.22Å; P885-F887 PolarHBondContact O-N 2.92Å; F887-Q891 WeakPolarHBondContact O-CB 3.45Å; F887-Q891 PolarHBondContact O-N 3.44Å; F887-I972 HydrophobicContact CD1-CD1 3.84Å; F887-I972 HydrophobicContact CE1-CD1 4.43Å
888	T	88.8	Confident	82.4	Confident	80 Å²	80	48.6 Å²	48.6	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-70.1	-47.3	175.9	-51.4	0	0	0	0	109.1	P885 F890 Q891 D892	P885-T888 PolarHBondContact O-N 2.91Å; T888-F890 VanDerWaalsContact C-N 3.33Å; T888-F890 PolarHBondContact O-N 3.28Å; T888-Q891 PolarHBondContact O-N 3.2Å; T888-D892 PolarHBondContact O-N 3.01Å
889	S	91	Very high	84.6	Confident	18 Å²	18	48.9 Å²	48.9	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-41.1	178.9	-49.8	0	0	0	0	112.1	E802 P885 Y893	E802-S889 WeakPolarHBondContact CG-OG 3.42Å; E802-S889 PolarHBondContact OE2-OG 3.46Å; P885-S889 PolarHBondContact O-N 2.99Å; P885-S889 PolarHBondContact O-OG 3.26Å; P885-S889 VanDerWaalsContact O-OG 3.08Å; S889-Y893 VanDerWaalsContact O-CB 3.28Å; S889-Y893 WeakPolarHBondContact O-CB 3.47Å; S889-Y893 PolarHBondContact O-N 2.97Å
890	F	94.1	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-40.7	173.5	-179.2	-109	0	0	0	112.8	F805 C858 E859 L862 V886 T888 Y893 V894 L970 I972	F805-F890 AromaticContact CE1-CD2 3.75Å; F805-F890 HydrophobicContact CE1-CD2 3.75Å; F805-F890 HydrophobicContact CE1-CE2 4.32Å; F805-F890 HydrophobicContact CE2-CB 3.96Å; F805-F890 HydrophobicContact CE2-CD2 4.08Å; F805-F890 HydrophobicContact CZ-CB 4.22Å; F805-F890 AromaticContact CZ-CD2 3.47Å; F805-F890 HydrophobicContact CZ-CD2 3.47Å; F805-F890 VanDerWaalsContact CZ-CD2 3.47Å; F805-F890 HydrophobicContact CZ-CE2 4.31Å; F805-F890 HydrophobicContact CZ-CG 4.29Å; C858-F890 HydrophobicContact CB-CE2 3.88Å; C858-F890 HydrophobicContact CB-CZ 4.45Å; E859-F890 HydrophobicContact CB-CE1 4.29Å; E859-F890 HydrophobicContact CB-CZ 3.97Å; L862-F890 HydrophobicContact CD1-CB 4.04Å; L862-F890 HydrophobicContact CD1-CD1 4.16Å; L862-F890 HydrophobicContact CD1-CD2 4.16Å; L862-F890 HydrophobicContact CD1-CG 3.85Å; V886-F890 VanDerWaalsContact O-CB 3.28Å; V886-F890 WeakPolarHBondContact O-CB 3.34Å; V886-F890 PolarHBondContact O-N 3.48Å; T888-F890 VanDerWaalsContact C-N 3.33Å; T888-F890 PolarHBondContact O-N 3.28Å; F890-Y893 HydrophobicContact CD2-CD1 4.14Å; F890-Y893 HydrophobicContact CE2-CD1 4.31Å; F890-Y893 WeakPolarHBondContact O-CB 3.5Å; F890-Y893 PolarHBondContact O-N 3.24Å; F890-V894 HydrophobicContact CD1-CG2 4.28Å; F890-V894 HydrophobicContact CD2-CG2 4.35Å; F890-V894 HydrophobicContact CE1-CG2 3.87Å; F890-V894 HydrophobicContact CE2-CG2 3.95Å; F890-V894 HydrophobicContact CZ-CG2 3.7Å; F890-V894 WeakPolarHBondContact O-CG2 3.36Å; F890-V894 PolarHBondContact O-N 3.24Å; F890-L970 WeakPolarHBondContact CE1-O 3.47Å; F890-I972 HydrophobicContact CD1-CD1 3.5Å; F890-I972 VanDerWaalsContact CD1-CD1 3.5Å; F890-I972 HydrophobicContact CD1-CG1 3.82Å; F890-I972 HydrophobicContact CE1-CD1 3.92Å; F890-I972 HydrophobicContact CE1-CG1 4.08Å; F890-I972 HydrophobicContact CE1-CG2 4.27Å; F890-I972 HydrophobicContact CG-CD1 4.49Å
891	Q	93.4	Very high	89	Confident	48 Å²	48	37.9 Å²	37.9	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-38.6	179.1	-172.2	61.9	31.4	0	0	112.1	F887 T888 T895	F887-Q891 WeakPolarHBondContact O-CB 3.45Å; F887-Q891 PolarHBondContact O-N 3.44Å; T888-Q891 PolarHBondContact O-N 3.2Å; Q891-T895 WeakPolarHBondContact O-CB 3.49Å; Q891-T895 PolarHBondContact O-N 3.36Å; Q891-T895 PolarHBondContact O-OG1 3.46Å
892	D	94.3	Very high	90.8	Very high	103 Å²	103	38.2 Å²	38.2	55%	0.551	22%	0.215	S	C	*	.	H	α-helix	trans	-66	-42.1	174.1	-70.9	-20.9	0	0	0	110.9	T888 T895 G896	T888-D892 PolarHBondContact O-N 3.01Å; D892-T895 PolarHBondContact O-N 3.48Å; D892-G896 PolarHBondContact O-N 2.83Å
893	Y	96.7	Very high	92.2	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-50.3	173.4	166.9	-104.3	0	0	0	112.6	F805 L808 L809 I851 S855 S889 F890 T895 G896 L897	F805-Y893 HydrophobicContact CB-CD2 4Å; F805-Y893 HydrophobicContact CB-CG 4.01Å; F805-Y893 AromaticContact CD1-CD1 3.67Å; F805-Y893 HydrophobicContact CD1-CD1 3.67Å; F805-Y893 HydrophobicContact CD1-CD2 4.08Å; F805-Y893 AromaticContact CD1-CE1 3.92Å; F805-Y893 HydrophobicContact CD1-CE1 3.92Å; F805-Y893 HydrophobicContact CD1-CE2 4.32Å; F805-Y893 AromaticContact CD1-CG 3.75Å; F805-Y893 HydrophobicContact CD1-CG 3.75Å; F805-Y893 HydrophobicContact CE1-CD1 4.02Å; F805-Y893 HydrophobicContact CE1-CE1 4.15Å; F805-Y893 HydrophobicContact CG-CD1 4.36Å; F805-Y893 HydrophobicContact CG-CD2 4.41Å; F805-Y893 HydrophobicContact CG-CG 4.06Å; F805-Y893 WeakPolarHBondContact O-CD2 3.41Å; L808-Y893 HydrophobicContact CD2-CE2 4.15Å; L808-Y893 WeakPolarHBondContact CD2-OH 3.04Å; L808-Y893 HydrophobicContact CG-CE2 4.42Å; L809-Y893 HydrophobicContact CB-CD2 4.25Å; I851-Y893 WeakPolarHBondContact CG2-OH 3.22Å; S855-Y893 WeakPolarHBondContact OG-CE1 3.48Å; S855-Y893 PolarHBondContact OG-OH 3.38Å; S855-Y893 VanDerWaalsContact OG-OH 3.06Å; S889-Y893 VanDerWaalsContact O-CB 3.28Å; S889-Y893 WeakPolarHBondContact O-CB 3.47Å; S889-Y893 PolarHBondContact O-N 2.97Å; F890-Y893 HydrophobicContact CD2-CD1 4.14Å; F890-Y893 HydrophobicContact CE2-CD1 4.31Å; F890-Y893 WeakPolarHBondContact O-CB 3.5Å; F890-Y893 PolarHBondContact O-N 3.24Å; Y893-T895 VanDerWaalsContact C-N 3.29Å; Y893-T895 PolarHBondContact O-N 2.91Å; Y893-G896 WeakPolarHBondContact O-CA 3.45Å; Y893-G896 PolarHBondContact O-N 3.37Å; Y893-G896 VanDerWaalsContact O-N 3.13Å; Y893-L897 HydrophobicContact CD1-CD1 4.21Å; Y893-L897 HydrophobicContact CD2-CG 4.46Å; Y893-L897 HydrophobicContact CE1-CD1 3.54Å; Y893-L897 HydrophobicContact CE1-CG 4.29Å; Y893-L897 HydrophobicContact CE2-CD1 4.1Å; Y893-L897 HydrophobicContact CE2-CD2 4.15Å; Y893-L897 HydrophobicContact CE2-CG 4.04Å; Y893-L897 VanDerWaalsContact CZ-CD1 3.48Å; Y893-L897 WeakPolarHBondContact O-CG 3.5Å; Y893-L897 PolarHBondContact O-N 3.25Å
894	V	96.1	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-39.1	177.3	170.7	0	0	0	0	111.2	F890 L897 Q898 L970 K971	F890-V894 HydrophobicContact CD1-CG2 4.28Å; F890-V894 HydrophobicContact CD2-CG2 4.35Å; F890-V894 HydrophobicContact CE1-CG2 3.87Å; F890-V894 HydrophobicContact CE2-CG2 3.95Å; F890-V894 HydrophobicContact CZ-CG2 3.7Å; F890-V894 WeakPolarHBondContact O-CG2 3.36Å; F890-V894 PolarHBondContact O-N 3.24Å; V894-L897 PolarHBondContact O-N 3.39Å; V894-Q898 WeakPolarHBondContact O-CG 3.36Å; V894-Q898 PolarHBondContact O-N 3.24Å; V894-L970 HydrophobicContact CG1-CB 4Å; V894-L970 HydrophobicContact CG2-CB 4.09Å; V894-K971 HydrophobicContact CG1-CG 4.19Å
895	T	96.3	Very high	94	Very high	51 Å²	51	31.4 Å²	31.4	31%	0.313	18%	0.181	S	C	.	.	H	α-helix	trans	-65.9	-41.2	175.8	-56.2	0	0	0	0	111.1	Q891 D892 Y893 Q898 I899	Q891-T895 WeakPolarHBondContact O-CB 3.49Å; Q891-T895 PolarHBondContact O-N 3.36Å; Q891-T895 PolarHBondContact O-OG1 3.46Å; D892-T895 PolarHBondContact O-N 3.48Å; Y893-T895 VanDerWaalsContact C-N 3.29Å; Y893-T895 PolarHBondContact O-N 2.91Å; T895-Q898 WeakPolarHBondContact O-CB 3.42Å; T895-Q898 PolarHBondContact O-N 3.49Å; T895-I899 HydrophobicContact CG2-CD1 4.14Å; T895-I899 WeakPolarHBondContact O-CG1 3.44Å; T895-I899 PolarHBondContact O-N 2.95Å
896	G	96.6	Very high	94.6	Very high	14 Å²	14	32.8 Å²	32.8	14%	0.144	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-42.9	173.5	0	0	0	0	0	113.1	D892 Y893 I899 L900	D892-G896 PolarHBondContact O-N 2.83Å; Y893-G896 WeakPolarHBondContact O-CA 3.45Å; Y893-G896 PolarHBondContact O-N 3.37Å; Y893-G896 VanDerWaalsContact O-N 3.13Å; G896-I899 PolarHBondContact O-N 3.4Å; G896-L900 WeakPolarHBondContact O-CB 3.24Å; G896-L900 PolarHBondContact O-N 3.01Å
897	L	96.4	Very high	95.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-45.2	173.9	-71.9	179.3	0	0	0	111.8	L809 L812 I848 I851 L852 Y893 V894 I899 L900 I901	L809-L897 HydrophobicContact CD1-CD2 4.07Å; L809-L897 HydrophobicContact CD1-CG 4.42Å; L812-L897 HydrophobicContact CD1-CD2 3.47Å; L812-L897 VanDerWaalsContact CD1-CD2 3.47Å; I848-L897 HydrophobicContact CD1-CD2 3.93Å; I851-L897 HydrophobicContact CG2-CD1 4.47Å; I851-L897 HydrophobicContact CG2-CD2 4.34Å; L852-L897 HydrophobicContact CD2-CD1 4.33Å; Y893-L897 HydrophobicContact CD1-CD1 4.21Å; Y893-L897 HydrophobicContact CD2-CG 4.46Å; Y893-L897 HydrophobicContact CE1-CD1 3.54Å; Y893-L897 HydrophobicContact CE1-CG 4.29Å; Y893-L897 HydrophobicContact CE2-CD1 4.1Å; Y893-L897 HydrophobicContact CE2-CD2 4.15Å; Y893-L897 HydrophobicContact CE2-CG 4.04Å; Y893-L897 VanDerWaalsContact CZ-CD1 3.48Å; Y893-L897 WeakPolarHBondContact O-CG 3.5Å; Y893-L897 PolarHBondContact O-N 3.25Å; V894-L897 PolarHBondContact O-N 3.39Å; L897-I899 VanDerWaalsContact C-N 3.34Å; L897-I899 PolarHBondContact O-N 3.09Å; L897-L900 PolarHBondContact O-N 3.02Å; L897-I901 WeakPolarHBondContact O-CB 3.44Å; L897-I901 VanDerWaalsContact O-CG1 3.26Å; L897-I901 WeakPolarHBondContact O-CG1 3.45Å; L897-I901 PolarHBondContact O-N 3.33Å
898	Q	96.5	Very high	95.5	Very high	31 Å²	31	34.6 Å²	34.6	15%	0.145	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-47.2	177.1	-78.5	-176.4	-15.3	0	0	112	V894 T895 S902 L964 T967	V894-Q898 WeakPolarHBondContact O-CG 3.36Å; V894-Q898 PolarHBondContact O-N 3.24Å; T895-Q898 WeakPolarHBondContact O-CB 3.42Å; T895-Q898 PolarHBondContact O-N 3.49Å; Q898-S902 WeakPolarHBondContact O-CB 3.35Å; Q898-S902 PolarHBondContact O-N 2.91Å; Q898-L964 HydrophobicContact CB-CD1 4.49Å; Q898-T967 HydrophobicContact CG-CG2 4.26Å; Q898-T967 WeakPolarHBondContact CG-OG1 3.21Å; Q898-T967 PolarHBondContact NE2-OG1 2.86Å
899	I	97	Very high	95.8	Very high	95 Å²	95	36.5 Å²	36.5	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-45.9	178.2	-67.3	165.8	0	0	0	110.4	T895 G896 L897 S902 N903	T895-I899 HydrophobicContact CG2-CD1 4.14Å; T895-I899 WeakPolarHBondContact O-CG1 3.44Å; T895-I899 PolarHBondContact O-N 2.95Å; G896-I899 PolarHBondContact O-N 3.4Å; L897-I899 VanDerWaalsContact C-N 3.34Å; L897-I899 PolarHBondContact O-N 3.09Å; I899-S902 PolarHBondContact O-N 3.47Å; I899-N903 PolarHBondContact O-N 3.27Å; I899-N903 PolarHBondContact O-ND2 2.93Å; I899-N903 PolarHBondContact O-OD1 2.99Å
900	L	96.9	Very high	95.9	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-48.2	-179.3	-179	61.4	0	0	0	111.8	L812 K813 F816 F844 G896 L897 S902 N903 V904	L812-L900 HydrophobicContact CB-CD2 3.57Å; K813-L900 HydrophobicContact CG-CD1 4.2Å; K813-L900 HydrophobicContact CG-CD2 4.36Å; F816-L900 HydrophobicContact CB-CD1 4.1Å; F816-L900 HydrophobicContact CD1-CD1 3.84Å; F816-L900 HydrophobicContact CG-CD1 4.12Å; F844-L900 HydrophobicContact CE2-CD2 4.33Å; F844-L900 HydrophobicContact CZ-CD2 4.27Å; F844-L900 HydrophobicContact CZ-CG 4.23Å; G896-L900 WeakPolarHBondContact O-CB 3.24Å; G896-L900 PolarHBondContact O-N 3.01Å; L897-L900 PolarHBondContact O-N 3.02Å; L900-S902 VanDerWaalsContact C-N 3.31Å; L900-S902 PolarHBondContact O-N 2.81Å; L900-N903 WeakPolarHBondContact O-CB 3.39Å; L900-N903 PolarHBondContact O-N 3.41Å; L900-V904 HydrophobicContact CD1-CG2 4.46Å; L900-V904 WeakPolarHBondContact O-CG2 3.31Å; L900-V904 PolarHBondContact O-N 3.43Å
901	I	96.3	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-42	178.4	-64.8	164.1	0	0	0	110.3	I848 L852 L897 N903 V904 V905 L964 T967	I848-I901 HydrophobicContact CD1-CD1 4.3Å; I848-I901 HydrophobicContact CD1-CG1 4.26Å; I848-I901 HydrophobicContact CG1-CD1 3.89Å; I848-I901 HydrophobicContact CG1-CG1 3.87Å; L852-I901 HydrophobicContact CD1-CD1 4.19Å; L852-I901 HydrophobicContact CD2-CD1 4.34Å; L897-I901 WeakPolarHBondContact O-CB 3.44Å; L897-I901 VanDerWaalsContact O-CG1 3.26Å; L897-I901 WeakPolarHBondContact O-CG1 3.45Å; L897-I901 PolarHBondContact O-N 3.33Å; I901-N903 PolarHBondContact O-N 2.7Å; I901-V904 PolarHBondContact O-N 3.31Å; I901-V905 HydrophobicContact CG2-CG2 4.48Å; I901-V905 WeakPolarHBondContact O-CG2 3.48Å; I901-V905 PolarHBondContact O-N 3.22Å; I901-L964 HydrophobicContact CB-CD1 4.02Å; I901-L964 HydrophobicContact CG2-CB 3.84Å; I901-L964 HydrophobicContact CG2-CD1 3.93Å; I901-L964 HydrophobicContact CG2-CG 4.34Å; I901-T967 HydrophobicContact CD1-CG2 4.02Å
902	S	97.2	Very high	95.8	Very high	45 Å²	45	36.8 Å²	36.8	32%	0.315	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-46.7	174.7	-167	0	0	0	0	111.6	Q898 I899 L900 V904 V905 D906	Q898-S902 WeakPolarHBondContact O-CB 3.35Å; Q898-S902 PolarHBondContact O-N 2.91Å; I899-S902 PolarHBondContact O-N 3.47Å; L900-S902 VanDerWaalsContact C-N 3.31Å; L900-S902 PolarHBondContact O-N 2.81Å; S902-V904 VanDerWaalsContact C-N 3.28Å; S902-V904 PolarHBondContact O-N 3.29Å; S902-V905 PolarHBondContact O-N 3.13Å; S902-D906 PolarHBondContact O-N 3.42Å
903	N	96.8	Very high	95.7	Very high	77 Å²	77	36 Å²	36	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-36.3	178.4	-67	-18.6	0	0	0	112.4	F816 I899 L900 I901 H907	F816-N903 HydrophobicContact CE1-CB 4.37Å; I899-N903 PolarHBondContact O-N 3.27Å; I899-N903 PolarHBondContact O-ND2 2.93Å; I899-N903 PolarHBondContact O-OD1 2.99Å; L900-N903 WeakPolarHBondContact O-CB 3.39Å; L900-N903 PolarHBondContact O-N 3.41Å; I901-N903 PolarHBondContact O-N 2.7Å; N903-H907 WeakPolarHBondContact O-CB 3.44Å; N903-H907 PolarHBondContact O-N 2.99Å
904	V	96.3	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-42.7	176.5	-177	0	0	0	0	110.6	F816 L841 F844 L900 I901 S902 D906 H907 I908 L960	F816-V904 HydrophobicContact CD1-CG2 4.41Å; F816-V904 HydrophobicContact CD2-CB 4.2Å; F816-V904 HydrophobicContact CD2-CG1 4.24Å; F816-V904 HydrophobicContact CD2-CG2 3.31Å; F816-V904 HydrophobicContact CE1-CG2 4.46Å; F816-V904 HydrophobicContact CE2-CB 3.91Å; F816-V904 HydrophobicContact CE2-CG1 4.04Å; F816-V904 HydrophobicContact CE2-CG2 3.43Å; F816-V904 VanDerWaalsContact CE2-CG2 3.43Å; F816-V904 HydrophobicContact CG-CG2 3.86Å; F816-V904 HydrophobicContact CZ-CG2 4.02Å; L841-V904 HydrophobicContact CD1-CG1 3.91Å; F844-V904 HydrophobicContact CD1-CG1 4.01Å; F844-V904 HydrophobicContact CD1-CG2 4.27Å; F844-V904 HydrophobicContact CE1-CB 4Å; F844-V904 HydrophobicContact CE1-CG1 3.83Å; F844-V904 HydrophobicContact CE1-CG2 3.43Å; F844-V904 VanDerWaalsContact CE1-CG2 3.43Å; F844-V904 HydrophobicContact CE2-CG2 4.31Å; F844-V904 HydrophobicContact CZ-CB 4.49Å; F844-V904 HydrophobicContact CZ-CG2 3.45Å; F844-V904 VanDerWaalsContact CZ-CG2 3.45Å; L900-V904 HydrophobicContact CD1-CG2 4.46Å; L900-V904 WeakPolarHBondContact O-CG2 3.31Å; L900-V904 PolarHBondContact O-N 3.43Å; I901-V904 PolarHBondContact O-N 3.31Å; S902-V904 VanDerWaalsContact C-N 3.28Å; S902-V904 PolarHBondContact O-N 3.29Å; V904-D906 VanDerWaalsContact C-N 3.3Å; V904-D906 PolarHBondContact O-N 3.44Å; V904-H907 WeakPolarHBondContact O-CB 3.35Å; V904-H907 PolarHBondContact O-N 2.82Å; V904-I908 HydrophobicContact CG1-CD1 4.25Å; V904-I908 WeakPolarHBondContact O-CG1 3.45Å; V904-I908 PolarHBondContact O-N 3.26Å; V904-L960 HydrophobicContact CG1-CD1 3.81Å
905	V	96.7	Very high	95	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-41.8	175	170.7	0	0	0	0	111.1	I901 S902 I908 K909 L960 K961	I901-V905 HydrophobicContact CG2-CG2 4.48Å; I901-V905 WeakPolarHBondContact O-CG2 3.48Å; I901-V905 PolarHBondContact O-N 3.22Å; S902-V905 PolarHBondContact O-N 3.13Å; V905-I908 PolarHBondContact O-N 3.31Å; V905-K909 WeakPolarHBondContact O-CB 3.43Å; V905-K909 PolarHBondContact O-N 2.98Å; V905-L960 HydrophobicContact CG2-CB 3.72Å; V905-K961 HydrophobicContact CG1-CD 4.45Å; V905-K961 HydrophobicContact CG1-CG 3.88Å; V905-K961 HydrophobicContact CG2-CG 4.38Å
906	D	96.1	Very high	94.6	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-66.9	-38.3	176.2	-70.4	-33	0	0	0	111.9	S902 V904 K909 G910	S902-D906 PolarHBondContact O-N 3.42Å; V904-D906 VanDerWaalsContact C-N 3.3Å; V904-D906 PolarHBondContact O-N 3.44Å; D906-K909 PolarHBondContact O-N 3.33Å; D906-G910 PolarHBondContact O-N 3.39Å
907	H	96.1	Very high	94.1	Very high	42 Å²	42	45.2 Å²	45.2	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-47.1	173.8	178.6	51.8	0	0	0	111.9	F816 N903 V904 K909 G910 L911	F816-H907 HydrophobicContact CE2-CB 4.13Å; F816-H907 AromaticContact CE2-CD2 3.97Å; F816-H907 HydrophobicContact CZ-CB 4Å; N903-H907 WeakPolarHBondContact O-CB 3.44Å; N903-H907 PolarHBondContact O-N 2.99Å; V904-H907 WeakPolarHBondContact O-CB 3.35Å; V904-H907 PolarHBondContact O-N 2.82Å; H907-K909 VanDerWaalsContact C-N 3.33Å; H907-K909 PolarHBondContact O-N 3.11Å; H907-G910 WeakPolarHBondContact O-CA 3.47Å; H907-G910 PolarHBondContact O-N 2.58Å; H907-G910 VanDerWaalsContact O-N 3.08Å; H907-L911 WeakPolarHBondContact O-CG 3.41Å; H907-L911 PolarHBondContact O-N 3.44Å
908	I	95.6	Very high	93.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-47.4	175.6	-71.7	174.1	0	0	0	110.7	L841 V904 V905 G910 L911 E912 L953 M956 L960	L841-I908 HydrophobicContact CD1-CD1 4.23Å; L841-I908 HydrophobicContact CD1-CG1 4.31Å; L841-I908 HydrophobicContact CD2-CD1 3.99Å; L841-I908 HydrophobicContact CD2-CG1 3.76Å; L841-I908 HydrophobicContact CG-CD1 4.41Å; V904-I908 HydrophobicContact CG1-CD1 4.25Å; V904-I908 WeakPolarHBondContact O-CG1 3.45Å; V904-I908 PolarHBondContact O-N 3.26Å; V905-I908 PolarHBondContact O-N 3.31Å; I908-G910 VanDerWaalsContact C-N 3.26Å; I908-G910 PolarHBondContact O-N 3.39Å; I908-L911 WeakPolarHBondContact O-CB 3.28Å; I908-L911 PolarHBondContact O-N 2.75Å; I908-L911 VanDerWaalsContact O-N 3.09Å; I908-E912 HydrophobicContact CG2-CG 4.41Å; I908-E912 WeakPolarHBondContact O-CG 3.22Å; I908-E912 PolarHBondContact O-N 2.8Å; I908-L953 HydrophobicContact CG2-CB 4.18Å; I908-L953 HydrophobicContact CG2-CD2 4.23Å; I908-L953 WeakPolarHBondContact CG2-O 3.11Å; I908-M956 HydrophobicContact CD1-CB 4.4Å; I908-L960 HydrophobicContact CD1-CD1 3.65Å
909	K	95	Very high	92.3	Very high	120 Å²	120	51.2 Å²	51.2	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-35.5	177	-172.5	-179.7	178	-174.5	0	112.5	V905 D906 H907 T913	V905-K909 WeakPolarHBondContact O-CB 3.43Å; V905-K909 PolarHBondContact O-N 2.98Å; D906-K909 PolarHBondContact O-N 3.33Å; H907-K909 VanDerWaalsContact C-N 3.33Å; H907-K909 PolarHBondContact O-N 3.11Å; K909-T913 WeakPolarHBondContact O-CB 3.49Å; K909-T913 PolarHBondContact O-N 3.47Å; K909-T913 PolarHBondContact O-OG1 3.02Å
910	G	93.4	Very high	91	Very high	41 Å²	41	46.9 Å²	46.9	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-46.5	172	0	0	0	0	0	111.9	D906 H907 I908 T913 Y914	D906-G910 PolarHBondContact O-N 3.39Å; H907-G910 WeakPolarHBondContact O-CA 3.47Å; H907-G910 PolarHBondContact O-N 2.58Å; H907-G910 VanDerWaalsContact O-N 3.08Å; I908-G910 VanDerWaalsContact C-N 3.26Å; I908-G910 PolarHBondContact O-N 3.39Å; G910-T913 PolarHBondContact O-N 3.36Å; G910-Y914 WeakPolarHBondContact O-CB 3.38Å; G910-Y914 PolarHBondContact O-N 3.25Å
911	L	93.1	Very high	89.2	Confident	6 Å²	6	54 Å²	54	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-44.4	175.3	-64.9	174.2	0	0	0	111.9	G821 L823 H907 I908 T913 Y914 L915 L953	G821-L911 WeakPolarHBondContact O-CD2 3.34Å; L823-L911 HydrophobicContact CD1-CD1 4.19Å; L823-L911 HydrophobicContact CG-CD1 4.2Å; H907-L911 WeakPolarHBondContact O-CG 3.41Å; H907-L911 PolarHBondContact O-N 3.44Å; I908-L911 WeakPolarHBondContact O-CB 3.28Å; I908-L911 PolarHBondContact O-N 2.75Å; I908-L911 VanDerWaalsContact O-N 3.09Å; L911-T913 VanDerWaalsContact C-N 3.31Å; L911-T913 PolarHBondContact O-N 2.65Å; L911-Y914 PolarHBondContact O-N 3.16Å; L911-L915 WeakPolarHBondContact O-CB 3.34Å; L911-L915 VanDerWaalsContact O-CG 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.3Å; L911-L915 PolarHBondContact O-N 3.4Å; L911-L953 HydrophobicContact CB-CD1 3.57Å; L911-L953 HydrophobicContact CD1-CD2 4.28Å
912	E	93.1	Very high	87.2	Confident	25 Å²	25	60.2 Å²	60.2	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-55.2	-47.9	174.3	-70.1	170.2	-175.3	0	0	111.1	I908 Y914 L915 I916 L950 L953	I908-E912 HydrophobicContact CG2-CG 4.41Å; I908-E912 WeakPolarHBondContact O-CG 3.22Å; I908-E912 PolarHBondContact O-N 2.8Å; E912-Y914 PolarHBondContact O-N 3.05Å; E912-L915 PolarHBondContact O-N 3.27Å; E912-I916 WeakPolarHBondContact O-CD1 3.22Å; E912-I916 VanDerWaalsContact O-CG1 3.24Å; E912-I916 WeakPolarHBondContact O-CG1 3.45Å; E912-I916 PolarHBondContact O-N 3.35Å; E912-L950 HydrophobicContact CB-CD1 3.99Å; E912-L950 HydrophobicContact CG-CD1 4.09Å; E912-L953 HydrophobicContact CG-CB 3.94Å; E912-L953 HydrophobicContact CG-CD1 4.23Å
913	T	92.3	Very high	85.3	Confident	85 Å²	85	59.8 Å²	59.8	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-42.2	-179.6	-54.1	0	0	0	0	111.3	K909 G910 L911 I916 A917	K909-T913 WeakPolarHBondContact O-CB 3.49Å; K909-T913 PolarHBondContact O-N 3.47Å; K909-T913 PolarHBondContact O-OG1 3.02Å; G910-T913 PolarHBondContact O-N 3.36Å; L911-T913 VanDerWaalsContact C-N 3.31Å; L911-T913 PolarHBondContact O-N 2.65Å; T913-I916 PolarHBondContact O-N 3.04Å; T913-A917 WeakPolarHBondContact O-CB 3.34Å; T913-A917 PolarHBondContact O-N 3.21Å
914	Y	89.8	Confident	83.1	Confident	73 Å²	73	61.7 Å²	61.7	29%	0.286	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-48.1	175.6	173	-99.7	0	0	0	111.3	D822 L824 G910 L911 E912 I916 A917 L918	D822-Y914 HydrophobicContact CB-CE1 4.37Å; L824-Y914 VanDerWaalsContact O-CE1 3.22Å; L824-Y914 WeakPolarHBondContact O-CE1 3.47Å; L824-Y914 PolarHBondContact O-OH 3.02Å; L824-Y914 VanDerWaalsContact O-OH 3.05Å; G910-Y914 WeakPolarHBondContact O-CB 3.38Å; G910-Y914 PolarHBondContact O-N 3.25Å; L911-Y914 PolarHBondContact O-N 3.16Å; E912-Y914 PolarHBondContact O-N 3.05Å; Y914-I916 PolarHBondContact O-N 3.38Å; Y914-A917 PolarHBondContact O-N 2.82Å; Y914-A917 VanDerWaalsContact O-N 3.14Å; Y914-L918 HydrophobicContact CD1-CD1 4.12Å; Y914-L918 HydrophobicContact CD1-CG 4.46Å; Y914-L918 HydrophobicContact CE1-CD1 3.53Å; Y914-L918 HydrophobicContact CE1-CD2 4.42Å; Y914-L918 HydrophobicContact CE1-CG 4.03Å; Y914-L918 HydrophobicContact CE2-CD2 4.41Å; Y914-L918 PolarHBondContact O-N 3.41Å
915	L	87.9	Confident	81	Confident	2 Å²	2	64 Å²	64	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-42.4	177.5	-69.5	-172.5	0	0	0	111.8	L824 L911 E912 A917 L918 Q946 L953	L824-L915 HydrophobicContact CB-CD2 3.97Å; L824-L915 HydrophobicContact CD1-CD2 3.79Å; L824-L915 HydrophobicContact CG-CD2 4.02Å; L911-L915 WeakPolarHBondContact O-CB 3.34Å; L911-L915 VanDerWaalsContact O-CG 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.3Å; L911-L915 PolarHBondContact O-N 3.4Å; E912-L915 PolarHBondContact O-N 3.27Å; L915-A917 VanDerWaalsContact C-N 3.28Å; L915-A917 PolarHBondContact O-N 2.9Å; L915-L918 HydrophobicContact CD2-CD1 4.01Å; L915-L918 PolarHBondContact O-N 2.92Å; L915-Q946 PolarHBondContact O-NE2 3.33Å; L915-L953 HydrophobicContact CD1-CD1 3.81Å
916	I	88.2	Confident	78.4	Confident	118 Å²	118	72 Å²	72	61%	0.605	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-34.1	176.5	-67.1	162.5	0	0	0	111.4	E912 T913 Y914 L918 L950	E912-I916 WeakPolarHBondContact O-CD1 3.22Å; E912-I916 VanDerWaalsContact O-CG1 3.24Å; E912-I916 WeakPolarHBondContact O-CG1 3.45Å; E912-I916 PolarHBondContact O-N 3.35Å; T913-I916 PolarHBondContact O-N 3.04Å; Y914-I916 PolarHBondContact O-N 3.38Å; I916-L918 VanDerWaalsContact C-N 3.34Å; I916-L950 HydrophobicContact CD1-CD1 4.18Å; I916-L950 HydrophobicContact CD1-CD2 4.43Å; I916-L950 HydrophobicContact CG1-CD1 4.05Å; I916-L950 HydrophobicContact CG1-CD2 3.93Å
917	A	85.3	Confident	76.1	Confident	71 Å²	71	71.7 Å²	71.7	59%	0.587	37%	0.369	S	S	*	.	H	α-helix	trans	-74.3	-23.2	178.6	0	0	0	0	0	113.3	T913 Y914 L915 K919	T913-A917 WeakPolarHBondContact O-CB 3.34Å; T913-A917 PolarHBondContact O-N 3.21Å; Y914-A917 PolarHBondContact O-N 2.82Å; Y914-A917 VanDerWaalsContact O-N 3.14Å; L915-A917 VanDerWaalsContact C-N 3.28Å; L915-A917 PolarHBondContact O-N 2.9Å; A917-K919 PolarHBondContact O-N 2.84Å; A917-K919 VanDerWaalsContact O-N 3.07Å
918	L	82.4	Confident	73.6	Confident	27 Å²	27	76.2 Å²	76.2	14%	0.141	40%	0.399	C	S	.	.			trans	-66.2	105.8	175.4	-76.9	175.9	0	0	0	110.5	L824 V826 Y914 L915 I916 L920 Q946	L824-L918 HydrophobicContact CB-CD1 3.97Å; V826-L918 HydrophobicContact CG2-CD2 3.91Å; Y914-L918 HydrophobicContact CD1-CD1 4.12Å; Y914-L918 HydrophobicContact CD1-CG 4.46Å; Y914-L918 HydrophobicContact CE1-CD1 3.53Å; Y914-L918 HydrophobicContact CE1-CD2 4.42Å; Y914-L918 HydrophobicContact CE1-CG 4.03Å; Y914-L918 HydrophobicContact CE2-CD2 4.41Å; Y914-L918 PolarHBondContact O-N 3.41Å; L915-L918 HydrophobicContact CD2-CD1 4.01Å; L915-L918 PolarHBondContact O-N 2.92Å; I916-L918 VanDerWaalsContact C-N 3.34Å; L918-L920 VanDerWaalsContact C-N 3.33Å; L918-L920 HydrophobicContact CB-CD2 4.3Å; L918-L920 HydrophobicContact CB-CG 4.4Å; L918-L920 PolarHBondContact O-N 3.14Å; L918-L920 VanDerWaalsContact O-N 3.11Å; L918-Q946 PolarHBondContact O-NE2 3.36Å
919	K	73.6	Confident	71.4	Confident	131 Å²	131	80.3 Å²	80.3	57%	0.57	43%	0.428	S	S	*	.			trans	-85.7	74.5	172.3	-63	-172.2	-178.5	178	0	110.8	A917 E921 E922	A917-K919 PolarHBondContact O-N 2.84Å; A917-K919 VanDerWaalsContact O-N 3.07Å; K919-E921 PolarHBondContact O-N 3.24Å; K919-E921 VanDerWaalsContact O-N 3.12Å; K919-E922 HydrophobicContact CB-CB 4.39Å; K919-E922 HydrophobicContact CB-CG 4.11Å; K919-E922 HydrophobicContact CD-CG 4.29Å; K919-E922 WeakPolarHBondContact CD-OE1 3.42Å; K919-E922 IonicContact NZ-OE1 2.89Å; K919-E922 PolarHBondContact NZ-OE1 3.47Å; K919-E922 IonicContact NZ-OE2 3.21Å; K919-E922 PolarHBondContact O-N 3.38Å
920	L	69.8	Low	69.9	Low	5 Å²	5	75.8 Å²	75.8	3%	0.026	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.3	179.4	-59.1	-178.4	0	0	0	112.5	V826 L831 L918 E922 L923 Q942 Q946	V826-L920 HydrophobicContact CG2-CD2 4.22Å; L831-L920 HydrophobicContact CD1-CD2 3.87Å; L831-L920 HydrophobicContact CD2-CD1 3.98Å; L831-L920 HydrophobicContact CD2-CD2 4.28Å; L918-L920 VanDerWaalsContact C-N 3.33Å; L918-L920 HydrophobicContact CB-CD2 4.3Å; L918-L920 HydrophobicContact CB-CG 4.4Å; L918-L920 PolarHBondContact O-N 3.14Å; L918-L920 VanDerWaalsContact O-N 3.11Å; L920-E922 PolarHBondContact O-N 3.36Å; L920-L923 HydrophobicContact CD2-CD1 3.52Å; L920-L923 WeakPolarHBondContact O-CB 3.31Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.15Å; L920-Q942 HydrophobicContact CD1-CB 4.22Å; L920-Q946 HydrophobicContact CD1-CB 3.73Å; L920-Q946 HydrophobicContact CD1-CG 4.06Å; L920-Q946 VanDerWaalsContact CD1-OE1 3.28Å
921	E	58.3	Low	68.8	Low	155 Å²	155	75.9 Å²	75.9	72%	0.724	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.9	174	-61.7	-176.7	178.2	0	0	114.3	K919 K939	K919-E921 PolarHBondContact O-N 3.24Å; K919-E921 VanDerWaalsContact O-N 3.12Å; E921-K939 PolarHBondContact O-NZ 3.36Å
922	E	53.9	Low	67.9	Low	132 Å²	132	81 Å²	81	62%	0.617	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-90.7	-9.5	178.9	-64.3	179.2	-177	0	0	112.4	K919 L920 I924	K919-E922 HydrophobicContact CB-CB 4.39Å; K919-E922 HydrophobicContact CB-CG 4.11Å; K919-E922 HydrophobicContact CD-CG 4.29Å; K919-E922 WeakPolarHBondContact CD-OE1 3.42Å; K919-E922 IonicContact NZ-OE1 2.89Å; K919-E922 PolarHBondContact NZ-OE1 3.47Å; K919-E922 IonicContact NZ-OE2 3.21Å; K919-E922 PolarHBondContact O-N 3.38Å; L920-E922 PolarHBondContact O-N 3.36Å; E922-I924 PolarHBondContact O-N 3.11Å; E922-I924 VanDerWaalsContact O-N 3.08Å
923	L	57.4	Low	67.1	Low	36 Å²	36	83.7 Å²	83.7	19%	0.188	45%	0.45	C	S	.	.			trans	-72.4	102.8	172.3	-74.6	166	0	0	0	109.6	V826 L920 L925	V826-L923 HydrophobicContact CG1-CD1 4.01Å; V826-L923 HydrophobicContact CG1-CD2 3.52Å; V826-L923 HydrophobicContact CG1-CG 4.36Å; V826-L923 HydrophobicContact CG2-CD1 3.92Å; L920-L923 HydrophobicContact CD2-CD1 3.52Å; L920-L923 WeakPolarHBondContact O-CB 3.31Å; L920-L923 PolarHBondContact O-N 3Å; L920-L923 VanDerWaalsContact O-N 3.15Å; L923-L925 PolarHBondContact O-N 3.49Å
924	I	51.3	Low	66.3	Low	117 Å²	117	80.8 Å²	80.8	60%	0.6	43%	0.43	S	S	*	.			trans	-81.6	111.8	166.8	-57.1	172	0	0	0	105.6	E922 E926	E922-I924 PolarHBondContact O-N 3.11Å; E922-I924 VanDerWaalsContact O-N 3.08Å; I924-E926 VanDerWaalsContact C-N 3.3Å; I924-E926 PolarHBondContact O-N 2.9Å
925	L	51.3	Low	65.9	Low	48 Å²	48	82.1 Å²	82.1	25%	0.251	44%	0.435	S	S	.	.			trans	-59.2	103.6	156.2	-75.7	161.6	0	0	0	105.3	L923 D927 L930	L923-L925 PolarHBondContact O-N 3.49Å; L925-D927 PolarHBondContact O-N 3.3Å; L925-L930 HydrophobicContact CB-CD1 3.99Å; L925-L930 HydrophobicContact CD1-CD1 4.08Å
926	E	43.3	Very low	65.8	Low	183 Å²	183	87.7 Å²	87.7	86%	0.855	46%	0.459	S	S	*	.			trans	-65.7	18.9	-177.6	-73.6	-169.3	157.7	0	0	113.2	I924 T928	I924-E926 VanDerWaalsContact C-N 3.3Å; I924-E926 PolarHBondContact O-N 2.9Å; E926-T928 PolarHBondContact O-N 2.97Å
927	D	47.5	Very low	65.8	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	44%	0.435	S	S	.	.			trans	-84	101.9	176.1	-144.7	-30.6	0	0	0	109.4	L925 S929 L930 R935	L925-D927 PolarHBondContact O-N 3.3Å; D927-S929 PolarHBondContact O-N 2.83Å; D927-S929 WeakPolarHBondContact OD1-CB 3.33Å; D927-S929 PolarHBondContact OD1-N 3.45Å; D927-S929 PolarHBondContact OD1-OG 3.08Å; D927-L930 HydrophobicContact CB-CD1 4.24Å; D927-L930 HydrophobicContact CB-CG 4.23Å; D927-L930 PolarHBondContact O-N 3.1Å; D927-R935 PolarHBondContact O-NH2 3.24Å
928	T	42.1	Very low	65.8	Low	137 Å²	137	80.2 Å²	80.2	84%	0.84	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-5	173.7	39.6	0	0	0	0	113.6	E926	E926-T928 PolarHBondContact O-N 2.97Å
929	S	50.8	Low	66	Low	87 Å²	87	83.7 Å²	83.7	61%	0.608	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-17.3	-179.4	67.6	0	0	0	0	115.5	D927	D927-S929 PolarHBondContact O-N 2.83Å; D927-S929 WeakPolarHBondContact OD1-CB 3.33Å; D927-S929 PolarHBondContact OD1-N 3.45Å; D927-S929 PolarHBondContact OD1-OG 3.08Å
930	L	62.2	Low	66.8	Low	25 Å²	25	80.4 Å²	80.4	13%	0.131	42%	0.415	C	S	.	.	S	Bend	trans	-76.3	139.3	-178.6	-61.3	169.8	0	0	0	111.9	L925 D927 E934 R935	L925-L930 HydrophobicContact CB-CD1 3.99Å; L925-L930 HydrophobicContact CD1-CD1 4.08Å; D927-L930 HydrophobicContact CB-CD1 4.24Å; D927-L930 HydrophobicContact CB-CG 4.23Å; D927-L930 PolarHBondContact O-N 3.1Å; L930-E934 HydrophobicContact CD2-CG 4.04Å; L930-E934 WeakPolarHBondContact CD2-OE1 3.27Å; L930-E934 WeakPolarHBondContact CD2-OE2 3.29Å; L930-R935 HydrophobicContact CB-CG 3.99Å; L930-R935 PolarHBondContact O-NE 3.01Å
931	S	70.3	Confident	67.9	Low	44 Å²	44	80.2 Å²	80.2	31%	0.308	41%	0.414	S	S	.	.			trans	-67.4	155.9	177.7	78.6	0	0	0	0	111.9	E933 E934 R935	S931-E933 PolarHBondContact O-N 3.43Å; S931-E934 PolarHBondContact N-OE2 3.29Å; S931-E934 PolarHBondContact O-N 2.97Å; S931-E934 VanDerWaalsContact OG-CB 3.24Å; S931-E934 WeakPolarHBondContact OG-CB 3.45Å; S931-E934 PolarHBondContact OG-N 3.32Å; S931-E934 VanDerWaalsContact OG-N 3.15Å; S931-R935 WeakPolarHBondContact O-CG 3.27Å; S931-R935 PolarHBondContact O-N 2.8Å
932	P	75.7	Confident	69.4	Low	112 Å²	112	73.2 Å²	73.2	73%	0.727	38%	0.381	S	S	*	.	H	α-helix	trans	-56.5	-35.4	177.2	-26	34.6	0	0	0	113.8	K936	P932-K936 PolarHBondContact O-N 3.14Å
933	E	75.1	Confident	71.3	Confident	83 Å²	83	68.3 Å²	68.3	39%	0.388	37%	0.366	S	S	.	.	H	α-helix	trans	-75.3	-40	179.4	-151.2	68.8	-148.1	0	0	111.2	S931 R935 K936 F937	S931-E933 PolarHBondContact O-N 3.43Å; E933-R935 VanDerWaalsContact C-N 3.31Å; E933-R935 PolarHBondContact O-N 3.26Å; E933-K936 WeakPolarHBondContact O-CB 3.4Å; E933-K936 PolarHBondContact O-N 2.92Å; E933-K936 IonicContact OE1-NZ 3.21Å; E933-K936 PolarHBondContact OE1-NZ 3.27Å; E933-F937 HydrophobicContact CG-CD2 4.18Å; E933-F937 HydrophobicContact CG-CE2 3.77Å; E933-F937 VanDerWaalsContact O-CD2 3.28Å; E933-F937 WeakPolarHBondContact O-CD2 3.45Å; E933-F937 PolarHBondContact O-N 2.94Å
934	E	75.9	Confident	73	Confident	23 Å²	23	69.6 Å²	69.6	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-39.2	175	-172.3	176.8	-171	0	0	111.8	Q490 L930 S931 K936 F937 S938	Q490-E934 PolarHBondContact NE2-OE1 2.87Å; L930-E934 HydrophobicContact CD2-CG 4.04Å; L930-E934 WeakPolarHBondContact CD2-OE1 3.27Å; L930-E934 WeakPolarHBondContact CD2-OE2 3.29Å; S931-E934 PolarHBondContact N-OE2 3.29Å; S931-E934 PolarHBondContact O-N 2.97Å; S931-E934 VanDerWaalsContact OG-CB 3.24Å; S931-E934 WeakPolarHBondContact OG-CB 3.45Å; S931-E934 PolarHBondContact OG-N 3.32Å; S931-E934 VanDerWaalsContact OG-N 3.15Å; E934-K936 VanDerWaalsContact C-N 3.3Å; E934-K936 PolarHBondContact O-N 3.04Å; E934-F937 PolarHBondContact O-N 3.12Å; E934-S938 WeakPolarHBondContact O-CB 3.34Å; E934-S938 PolarHBondContact O-N 3.45Å; E934-S938 PolarHBondContact O-OG 3.08Å
935	R	80.8	Confident	75.2	Confident	101 Å²	101	64 Å²	64	38%	0.381	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-35.9	173.2	-70.3	175.9	179.7	-163.8	-6.4	112.6	D927 L930 S931 E933 S938 K939	D927-R935 PolarHBondContact O-NH2 3.24Å; L930-R935 HydrophobicContact CB-CG 3.99Å; L930-R935 PolarHBondContact O-NE 3.01Å; S931-R935 WeakPolarHBondContact O-CG 3.27Å; S931-R935 PolarHBondContact O-N 2.8Å; E933-R935 VanDerWaalsContact C-N 3.31Å; E933-R935 PolarHBondContact O-N 3.26Å; R935-S938 WeakPolarHBondContact O-CB 3.44Å; R935-K939 PolarHBondContact O-N 3.08Å
936	K	86.6	Confident	77.2	Confident	120 Å²	120	63.4 Å²	63.4	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-71.1	-44.4	177.4	174.9	-176.3	159.4	-155.6	0	111.1	P932 E933 E934 S938 K939 T940	P932-K936 PolarHBondContact O-N 3.14Å; E933-K936 WeakPolarHBondContact O-CB 3.4Å; E933-K936 PolarHBondContact O-N 2.92Å; E933-K936 IonicContact OE1-NZ 3.21Å; E933-K936 PolarHBondContact OE1-NZ 3.27Å; E934-K936 VanDerWaalsContact C-N 3.3Å; E934-K936 PolarHBondContact O-N 3.04Å; K936-S938 VanDerWaalsContact C-N 3.3Å; K936-S938 PolarHBondContact O-N 3.34Å; K936-K939 PolarHBondContact O-N 2.83Å; K936-T940 PolarHBondContact O-N 2.75Å; K936-T940 PolarHBondContact O-OG1 2.83Å
937	F	87.6	Confident	79.7	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.096	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-35	174.9	-75.7	-67.9	0	0	0	112.4	T493 E496 E497 T500 E933 E934 K939 T940 V941	T493-F937 HydrophobicContact CG2-CB 4.5Å; E496-F937 HydrophobicContact CB-CD1 3.96Å; E496-F937 HydrophobicContact CB-CE1 4.47Å; E497-F937 HydrophobicContact CB-CD2 3.87Å; E497-F937 HydrophobicContact CB-CE2 3.84Å; E497-F937 HydrophobicContact CB-CG 4.48Å; E497-F937 HydrophobicContact CB-CZ 4.43Å; E497-F937 HydrophobicContact CG-CD2 4.3Å; E497-F937 HydrophobicContact CG-CE2 3.97Å; T500-F937 HydrophobicContact CG2-CZ 4.34Å; E933-F937 HydrophobicContact CG-CD2 4.18Å; E933-F937 HydrophobicContact CG-CE2 3.77Å; E933-F937 VanDerWaalsContact O-CD2 3.28Å; E933-F937 WeakPolarHBondContact O-CD2 3.45Å; E933-F937 PolarHBondContact O-N 2.94Å; E934-F937 PolarHBondContact O-N 3.12Å; F937-K939 VanDerWaalsContact C-N 3.31Å; F937-K939 PolarHBondContact O-N 2.99Å; F937-T940 WeakPolarHBondContact O-CB 2.95Å; F937-T940 PolarHBondContact O-N 3Å; F937-T940 VanDerWaalsContact O-N 3.15Å; F937-V941 WeakPolarHBondContact O-CG2 3.38Å; F937-V941 PolarHBondContact O-N 3.17Å
938	S	86.3	Confident	82.1	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-53.9	-47.6	173.4	-58.7	0	0	0	0	111.9	T493 E934 R935 K936 T940 V941 Q942	T493-S938 VanDerWaalsContact CG2-CA 3.43Å; T493-S938 WeakPolarHBondContact CG2-OG 3.46Å; E934-S938 WeakPolarHBondContact O-CB 3.34Å; E934-S938 PolarHBondContact O-N 3.45Å; E934-S938 PolarHBondContact O-OG 3.08Å; R935-S938 WeakPolarHBondContact O-CB 3.44Å; K936-S938 VanDerWaalsContact C-N 3.3Å; K936-S938 PolarHBondContact O-N 3.34Å; S938-T940 PolarHBondContact O-N 3.29Å; S938-V941 PolarHBondContact O-N 3.36Å; S938-Q942 VanDerWaalsContact O-CG 3.31Å; S938-Q942 WeakPolarHBondContact O-CG 3.38Å; S938-Q942 PolarHBondContact O-N 3.1Å
939	K	86.4	Confident	84.7	Confident	100 Å²	100	46.6 Å²	46.6	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-42.9	177.5	-64.7	-173.6	-176.9	-151.8	0	112.1	E921 R935 K936 F937 G943	E921-K939 PolarHBondContact O-NZ 3.36Å; R935-K939 PolarHBondContact O-N 3.08Å; K936-K939 PolarHBondContact O-N 2.83Å; F937-K939 VanDerWaalsContact C-N 3.31Å; F937-K939 PolarHBondContact O-N 2.99Å; K939-G943 PolarHBondContact O-N 3.45Å
940	T	89.9	Confident	86.9	Confident	62 Å²	62	44.4 Å²	44.4	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-46.8	177.6	-57.5	0	0	0	0	111.7	K936 F937 S938 G943 K944	K936-T940 PolarHBondContact O-N 2.75Å; K936-T940 PolarHBondContact O-OG1 2.83Å; F937-T940 WeakPolarHBondContact O-CB 2.95Å; F937-T940 PolarHBondContact O-N 3Å; F937-T940 VanDerWaalsContact O-N 3.15Å; S938-T940 PolarHBondContact O-N 3.29Å; T940-G943 PolarHBondContact O-N 3.21Å; T940-K944 HydrophobicContact CG2-CD 4.49Å; T940-K944 WeakPolarHBondContact O-CG 3.38Å; T940-K944 PolarHBondContact O-N 3.4Å
941	V	92.9	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-49.8	179.8	167.8	0	0	0	0	111	W489 L492 T493 E496 Y516 F937 S938 G943 K944 V945	W489-V941 HydrophobicContact CE3-CG1 3.76Å; W489-V941 HydrophobicContact CZ3-CG1 3.86Å; L492-V941 HydrophobicContact CB-CB 4.45Å; L492-V941 HydrophobicContact CB-CG1 3.55Å; L492-V941 HydrophobicContact CB-CG2 4.01Å; L492-V941 HydrophobicContact CD1-CG1 3.51Å; L492-V941 HydrophobicContact CG-CG1 4.15Å; T493-V941 HydrophobicContact CG2-CG2 4.29Å; E496-V941 HydrophobicContact CB-CG2 4.43Å; E496-V941 HydrophobicContact CG-CG2 3.74Å; Y516-V941 HydrophobicContact CE1-CG1 4.39Å; F937-V941 WeakPolarHBondContact O-CG2 3.38Å; F937-V941 PolarHBondContact O-N 3.17Å; S938-V941 PolarHBondContact O-N 3.36Å; V941-G943 VanDerWaalsContact C-N 3.33Å; V941-G943 PolarHBondContact O-N 3.3Å; V941-K944 PolarHBondContact O-N 3.41Å; V941-V945 PolarHBondContact O-N 3.16Å
942	Q	91	Very high	89.9	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-41	179.4	-69.4	172.3	-8.4	0	0	111.5	W489 L831 L920 S938 V945 Q946	W489-Q942 HydrophobicContact CE3-CG 4.11Å; W489-Q942 HydrophobicContact CZ3-CG 4.08Å; L831-Q942 HydrophobicContact CD2-CB 4.21Å; L831-Q942 HydrophobicContact CD2-CG 3.95Å; L920-Q942 HydrophobicContact CD1-CB 4.22Å; S938-Q942 VanDerWaalsContact O-CG 3.31Å; S938-Q942 WeakPolarHBondContact O-CG 3.38Å; S938-Q942 PolarHBondContact O-N 3.1Å; Q942-V945 PolarHBondContact O-N 3.17Å; Q942-Q946 WeakPolarHBondContact O-CB 3.48Å; Q942-Q946 PolarHBondContact O-N 2.96Å
943	G	92.1	Very high	91	Very high	29 Å²	29	39 Å²	39	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-41.2	174.7	0	0	0	0	0	113.2	K939 T940 V941 Q946 S947	K939-G943 PolarHBondContact O-N 3.45Å; T940-G943 PolarHBondContact O-N 3.21Å; V941-G943 VanDerWaalsContact C-N 3.33Å; V941-G943 PolarHBondContact O-N 3.3Å; G943-Q946 PolarHBondContact O-N 3.3Å; G943-S947 WeakPolarHBondContact O-CB 3.45Å; G943-S947 PolarHBondContact O-N 3.19Å
944	K	95	Very high	92.1	Very high	64 Å²	64	39 Å²	39	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-43.9	174	-75.9	178.4	179.5	-175	0	111.8	E496 P524 T940 V941 S948	E496-K944 IonicContact OE1-NZ 3.27Å; E496-K944 PolarHBondContact OE1-NZ 3.36Å; E496-K944 IonicContact OE2-NZ 2.62Å; E496-K944 PolarHBondContact OE2-NZ 3.47Å; P524-K944 HydrophobicContact CB-CD 4.2Å; P524-K944 HydrophobicContact CG-CB 4.47Å; T940-K944 HydrophobicContact CG2-CD 4.49Å; T940-K944 WeakPolarHBondContact O-CG 3.38Å; T940-K944 PolarHBondContact O-N 3.4Å; V941-K944 PolarHBondContact O-N 3.41Å; K944-S948 WeakPolarHBondContact O-CB 3.46Å; K944-S948 PolarHBondContact O-N 3.03Å
945	V	95.5	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-50.1	177.6	174	0	0	0	0	110.4	W489 Y516 A521 L824 T833 V941 Q942 S947 S948 Y949	W489-V945 HydrophobicContact CH2-CB 4.14Å; W489-V945 HydrophobicContact CH2-CG1 4.11Å; W489-V945 HydrophobicContact CH2-CG2 3.95Å; W489-V945 HydrophobicContact CZ3-CB 4.35Å; W489-V945 HydrophobicContact CZ3-CG2 3.8Å; Y516-V945 HydrophobicContact CD1-CG2 4.14Å; Y516-V945 HydrophobicContact CE1-CG2 4.12Å; A521-V945 HydrophobicContact CB-CB 4.3Å; A521-V945 HydrophobicContact CB-CG1 4.28Å; A521-V945 HydrophobicContact CB-CG2 3.98Å; L824-V945 HydrophobicContact CD2-CG1 4.42Å; T833-V945 HydrophobicContact CG2-CG1 4.17Å; V941-V945 PolarHBondContact O-N 3.16Å; Q942-V945 PolarHBondContact O-N 3.17Å; V945-S947 PolarHBondContact O-N 3.48Å; V945-S948 PolarHBondContact O-N 3.46Å; V945-Y949 HydrophobicContact CG1-CD2 3.79Å; V945-Y949 HydrophobicContact CG1-CE2 3.72Å; V945-Y949 VanDerWaalsContact O-CD2 3.28Å; V945-Y949 WeakPolarHBondContact O-CD2 3.43Å; V945-Y949 PolarHBondContact O-N 2.87Å
946	Q	94.8	Very high	94	Very high	35 Å²	35	34.7 Å²	34.7	16%	0.164	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-46.5	178.3	-176.4	-176.5	18.7	0	0	112.7	L824 L915 L918 L920 Q942 G943 S948 Y949 L950	L824-Q946 HydrophobicContact CD1-CB 4.18Å; L824-Q946 HydrophobicContact CD1-CG 4.36Å; L915-Q946 PolarHBondContact O-NE2 3.33Å; L918-Q946 PolarHBondContact O-NE2 3.36Å; L920-Q946 HydrophobicContact CD1-CB 3.73Å; L920-Q946 HydrophobicContact CD1-CG 4.06Å; L920-Q946 VanDerWaalsContact CD1-OE1 3.28Å; Q942-Q946 WeakPolarHBondContact O-CB 3.48Å; Q942-Q946 PolarHBondContact O-N 2.96Å; G943-Q946 PolarHBondContact O-N 3.3Å; Q946-S948 VanDerWaalsContact C-N 3.34Å; Q946-S948 PolarHBondContact O-N 3.12Å; Q946-Y949 PolarHBondContact O-N 3.3Å; Q946-L950 WeakPolarHBondContact O-CB 3.44Å; Q946-L950 PolarHBondContact O-N 3.45Å
947	S	95.4	Very high	94.5	Very high	53 Å²	53	29 Å²	29	37%	0.371	16%	0.155	S	C	.	.	H	α-helix	trans	-58.3	-46.8	175.8	-177.6	0	0	0	0	111.3	E523 G943 V945 Y949 L950 H951	E523-S947 PolarHBondContact OE2-OG 3.16Å; G943-S947 WeakPolarHBondContact O-CB 3.45Å; G943-S947 PolarHBondContact O-N 3.19Å; V945-S947 PolarHBondContact O-N 3.48Å; S947-Y949 PolarHBondContact O-N 3.04Å; S947-L950 WeakPolarHBondContact O-CB 3.34Å; S947-L950 PolarHBondContact O-N 3.07Å; S947-H951 PolarHBondContact O-N 3.46Å
948	S	97.3	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-41.7	-179.2	-174.6	0	0	0	0	112.5	A521 F522 E523 Q555 K944 V945 Q946 H951 S952	A521-S948 WeakPolarHBondContact CA-OG 3.47Å; F522-S948 PolarHBondContact N-OG 3.32Å; E523-S948 PolarHBondContact N-OG 2.9Å; E523-S948 PolarHBondContact OE2-N 2.94Å; Q555-S948 PolarHBondContact NE2-O 2.92Å; K944-S948 WeakPolarHBondContact O-CB 3.46Å; K944-S948 PolarHBondContact O-N 3.03Å; V945-S948 PolarHBondContact O-N 3.46Å; Q946-S948 VanDerWaalsContact C-N 3.34Å; Q946-S948 PolarHBondContact O-N 3.12Å; S948-H951 PolarHBondContact O-N 3.24Å; S948-S952 PolarHBondContact O-N 3.01Å; S948-S952 PolarHBondContact O-OG 3.1Å
949	Y	97.6	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-42.7	176.1	-90.2	-104.9	0	0	0	111.3	L519 L823 P835 L838 V945 Q946 S947 H951 S952 L953	L519-Y949 VanDerWaalsContact O-CE2 3.28Å; L519-Y949 WeakPolarHBondContact O-CE2 3.31Å; L519-Y949 PolarHBondContact O-OH 3.41Å; L823-Y949 HydrophobicContact CB-CD1 3.71Å; L823-Y949 HydrophobicContact CB-CE1 3.84Å; L823-Y949 HydrophobicContact CD1-CD1 3.77Å; L823-Y949 HydrophobicContact CD1-CE1 4.34Å; L823-Y949 HydrophobicContact CG-CD1 4.27Å; L823-Y949 HydrophobicContact CG-CE1 4.48Å; P835-Y949 WeakPolarHBondContact CA-OH 3.5Å; L838-Y949 HydrophobicContact CB-CE1 4.3Å; L838-Y949 HydrophobicContact CD2-CD1 4.14Å; L838-Y949 HydrophobicContact CD2-CE1 4.02Å; V945-Y949 HydrophobicContact CG1-CD2 3.79Å; V945-Y949 HydrophobicContact CG1-CE2 3.72Å; V945-Y949 VanDerWaalsContact O-CD2 3.28Å; V945-Y949 WeakPolarHBondContact O-CD2 3.43Å; V945-Y949 PolarHBondContact O-N 2.87Å; Q946-Y949 PolarHBondContact O-N 3.3Å; S947-Y949 PolarHBondContact O-N 3.04Å; Y949-H951 VanDerWaalsContact C-N 3.33Å; Y949-H951 PolarHBondContact O-N 3.37Å; Y949-S952 PolarHBondContact O-N 2.87Å; Y949-L953 WeakPolarHBondContact O-CG 3.36Å; Y949-L953 PolarHBondContact O-N 3.45Å
950	L	97.3	Very high	96.1	Very high	41 Å²	41	28.1 Å²	28.1	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-44.3	175.8	-176.6	63.8	0	0	0	111	E912 I916 Q946 S947 S952 L953 L954	E912-L950 HydrophobicContact CB-CD1 3.99Å; E912-L950 HydrophobicContact CG-CD1 4.09Å; I916-L950 HydrophobicContact CD1-CD1 4.18Å; I916-L950 HydrophobicContact CD1-CD2 4.43Å; I916-L950 HydrophobicContact CG1-CD1 4.05Å; I916-L950 HydrophobicContact CG1-CD2 3.93Å; Q946-L950 WeakPolarHBondContact O-CB 3.44Å; Q946-L950 PolarHBondContact O-N 3.45Å; S947-L950 WeakPolarHBondContact O-CB 3.34Å; S947-L950 PolarHBondContact O-N 3.07Å; L950-S952 PolarHBondContact O-N 2.92Å; L950-L953 PolarHBondContact O-N 3.31Å; L950-L954 HydrophobicContact CG-CD1 4.2Å; L950-L954 VanDerWaalsContact O-CG 3.28Å; L950-L954 WeakPolarHBondContact O-CG 3.34Å; L950-L954 PolarHBondContact O-N 3.27Å
951	H	97.6	Very high	96.4	Very high	68 Å²	68	30 Å²	30	32%	0.315	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-42	178.4	-167.8	0.7	0	0	0	112.1	S947 S948 Y949 L953 L954 E955	S947-H951 PolarHBondContact O-N 3.46Å; S948-H951 PolarHBondContact O-N 3.24Å; Y949-H951 VanDerWaalsContact C-N 3.33Å; Y949-H951 PolarHBondContact O-N 3.37Å; H951-L953 PolarHBondContact O-N 3.27Å; H951-L954 PolarHBondContact O-N 3.49Å; H951-E955 IonicContact CE1-OE1 2.76Å; H951-E955 PolarHBondContact CE1-OE1 2.59Å; H951-E955 PolarHBondContact O-N 2.93Å; H951-E955 VanDerWaalsContact O-N 3.11Å
952	S	98.1	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-44.2	175.8	-68.2	0	0	0	0	111.9	L553 Q555 S948 Y949 L950 E955 M956	L553-S952 WeakPolarHBondContact O-CB 3.49Å; L553-S952 PolarHBondContact O-OG 2.83Å; Q555-S952 VanDerWaalsContact NE2-N 3.1Å; Q555-S952 PolarHBondContact NE2-OG 3.48Å; S948-S952 PolarHBondContact O-N 3.01Å; S948-S952 PolarHBondContact O-OG 3.1Å; Y949-S952 PolarHBondContact O-N 2.87Å; L950-S952 PolarHBondContact O-N 2.92Å; S952-E955 PolarHBondContact O-N 2.88Å; S952-M956 WeakPolarHBondContact O-CE 3.48Å; S952-M956 WeakPolarHBondContact O-CG 3.47Å; S952-M956 PolarHBondContact O-N 3.11Å; S952-M956 VanDerWaalsContact O-N 3.12Å
953	L	98.1	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.2	176.4	-74.3	-178	0	0	0	112.2	L823 L841 I908 L911 E912 L915 Y949 L950 H951 M956 G957	L823-L953 HydrophobicContact CD1-CD1 3.83Å; L823-L953 HydrophobicContact CD1-CD2 3.87Å; L823-L953 HydrophobicContact CD1-CG 3.99Å; L841-L953 HydrophobicContact CD2-CD2 3.74Å; I908-L953 HydrophobicContact CG2-CB 4.18Å; I908-L953 HydrophobicContact CG2-CD2 4.23Å; I908-L953 WeakPolarHBondContact CG2-O 3.11Å; L911-L953 HydrophobicContact CB-CD1 3.57Å; L911-L953 HydrophobicContact CD1-CD2 4.28Å; E912-L953 HydrophobicContact CG-CB 3.94Å; E912-L953 HydrophobicContact CG-CD1 4.23Å; L915-L953 HydrophobicContact CD1-CD1 3.81Å; Y949-L953 WeakPolarHBondContact O-CG 3.36Å; Y949-L953 PolarHBondContact O-N 3.45Å; L950-L953 PolarHBondContact O-N 3.31Å; H951-L953 PolarHBondContact O-N 3.27Å; L953-M956 HydrophobicContact CD2-CE 3.88Å; L953-M956 PolarHBondContact O-N 3.4Å; L953-G957 PolarHBondContact O-N 3.41Å
954	L	97.9	Very high	97	Very high	83 Å²	83	34.6 Å²	34.6	44%	0.435	17%	0.168	S	C	.	.	H	α-helix	trans	-61	-46.8	178.7	-74.9	168.7	0	0	0	111.8	L950 H951 G957 E958	L950-L954 HydrophobicContact CG-CD1 4.2Å; L950-L954 VanDerWaalsContact O-CG 3.28Å; L950-L954 WeakPolarHBondContact O-CG 3.34Å; L950-L954 PolarHBondContact O-N 3.27Å; H951-L954 PolarHBondContact O-N 3.49Å; L954-G957 PolarHBondContact O-N 3.24Å; L954-E958 WeakPolarHBondContact O-CB 3.47Å; L954-E958 PolarHBondContact O-N 3.18Å
955	E	98.2	Very high	97	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-46.4	178.8	-71.8	-156.7	179.2	0	0	112	Y556 A557 H951 S952 G957 E958 L959	Y556-E955 WeakPolarHBondContact CA-OE2 3.25Å; Y556-E955 WeakPolarHBondContact CB-OE2 3.36Å; Y556-E955 HydrophobicContact CD2-CB 4.24Å; Y556-E955 PolarHBondContact N-OE2 3.37Å; A557-E955 WeakPolarHBondContact CB-OE1 3.21Å; A557-E955 PolarHBondContact N-OE2 3.44Å; H951-E955 IonicContact CE1-OE1 2.76Å; H951-E955 PolarHBondContact CE1-OE1 2.59Å; H951-E955 PolarHBondContact O-N 2.93Å; H951-E955 VanDerWaalsContact O-N 3.11Å; S952-E955 PolarHBondContact O-N 2.88Å; E955-G957 PolarHBondContact O-N 2.99Å; E955-E958 PolarHBondContact O-N 2.75Å; E955-L959 WeakPolarHBondContact O-CB 3.49Å; E955-L959 PolarHBondContact O-N 3.08Å
956	M	98.1	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-43.1	176.5	-71.6	-172.3	-70.3	0	0	112.1	Y556 L838 L841 V842 V845 I908 S952 L953 L959 L960	Y556-M956 HydrophobicContact CE2-CG 4.08Å; L838-M956 HydrophobicContact CD1-CE 3.45Å; L838-M956 VanDerWaalsContact CD1-CE 3.45Å; L841-M956 HydrophobicContact CB-SD 4.42Å; L841-M956 HydrophobicContact CD2-CE 3.66Å; L841-M956 HydrophobicContact CD2-SD 4.16Å; L841-M956 HydrophobicContact CG-CE 4.17Å; L841-M956 HydrophobicContact CG-SD 4.01Å; V842-M956 HydrophobicContact CB-SD 4.37Å; V842-M956 HydrophobicContact CG2-CE 4.48Å; V842-M956 HydrophobicContact CG2-SD 3.5Å; V842-M956 VanDerWaalsContact CG2-SD 3.5Å; V845-M956 HydrophobicContact CG2-CB 4.32Å; V845-M956 HydrophobicContact CG2-CG 4.36Å; V845-M956 HydrophobicContact CG2-SD 4.35Å; I908-M956 HydrophobicContact CD1-CB 4.4Å; S952-M956 WeakPolarHBondContact O-CE 3.48Å; S952-M956 WeakPolarHBondContact O-CG 3.47Å; S952-M956 PolarHBondContact O-N 3.11Å; S952-M956 VanDerWaalsContact O-N 3.12Å; L953-M956 HydrophobicContact CD2-CE 3.88Å; L953-M956 PolarHBondContact O-N 3.4Å; M956-L959 PolarHBondContact O-N 3.06Å; M956-L960 WeakPolarHBondContact O-CB 3.33Å; M956-L960 WeakPolarHBondContact O-CG 3.3Å; M956-L960 PolarHBondContact O-N 2.93Å
957	G	97.6	Very high	96.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-41.4	177.9	0	0	0	0	0	112.3	L953 L954 E955 K961	L953-G957 PolarHBondContact O-N 3.41Å; L954-G957 PolarHBondContact O-N 3.24Å; E955-G957 PolarHBondContact O-N 2.99Å; G957-K961 WeakPolarHBondContact O-CB 3.32Å; G957-K961 WeakPolarHBondContact O-CD 3.36Å; G957-K961 VanDerWaalsContact O-CG 3.22Å; G957-K961 WeakPolarHBondContact O-CG 3.28Å; G957-K961 PolarHBondContact O-N 3.39Å
958	E	97.6	Very high	96.7	Very high	105 Å²	105	39.2 Å²	39.2	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-46.3	174.4	-171.2	-176	156.7	0	0	111.6	L954 E955 K961 K962	L954-E958 WeakPolarHBondContact O-CB 3.47Å; L954-E958 PolarHBondContact O-N 3.18Å; E955-E958 PolarHBondContact O-N 2.75Å; E958-K961 PolarHBondContact O-N 2.8Å; E958-K962 WeakPolarHBondContact O-CG 3.17Å; E958-K962 PolarHBondContact O-N 2.71Å; E958-K962 WeakPolarHBondContact OE1-CE 3.33Å; E958-K962 IonicContact OE1-NZ 2.63Å; E958-K962 PolarHBondContact OE1-NZ 2.93Å
959	L	97.8	Very high	96.4	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.4	179.8	58.9	0	0	0	111.6	Y556 L622 L623 I627 V845 E955 M956 K961 K962 R963	Y556-L959 HydrophobicContact CD2-CD2 4.2Å; Y556-L959 HydrophobicContact CE2-CD2 3.65Å; L622-L959 HydrophobicContact CD1-CD2 4.45Å; L622-L959 HydrophobicContact CD2-CD2 4.16Å; L622-L959 HydrophobicContact CG-CD2 3.99Å; L623-L959 HydrophobicContact CD2-CD1 4.29Å; L623-L959 HydrophobicContact CD2-CD2 4.18Å; I627-L959 HydrophobicContact CD1-CD1 3.77Å; V845-L959 HydrophobicContact CG1-CD2 3.73Å; V845-L959 HydrophobicContact CG1-CG 4.38Å; E955-L959 WeakPolarHBondContact O-CB 3.49Å; E955-L959 PolarHBondContact O-N 3.08Å; M956-L959 PolarHBondContact O-N 3.06Å; L959-K961 PolarHBondContact O-N 2.78Å; L959-K962 WeakPolarHBondContact O-CB 3.03Å; L959-K962 PolarHBondContact O-N 3.15Å; L959-R963 HydrophobicContact CD1-CG 4.44Å; L959-R963 WeakPolarHBondContact O-CG 3.39Å; L959-R963 PolarHBondContact O-N 2.89Å
960	L	97.5	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-37	177.6	-76.7	177.1	0	0	0	112.6	V845 I848 V904 V905 I908 M956 R963 L964	V845-L960 HydrophobicContact CG1-CD2 4.34Å; V845-L960 HydrophobicContact CG2-CD1 3.86Å; V845-L960 HydrophobicContact CG2-CD2 4.07Å; V845-L960 HydrophobicContact CG2-CG 3.9Å; I848-L960 HydrophobicContact CG2-CD2 3.85Å; V904-L960 HydrophobicContact CG1-CD1 3.81Å; V905-L960 HydrophobicContact CG2-CB 3.72Å; I908-L960 HydrophobicContact CD1-CD1 3.65Å; M956-L960 WeakPolarHBondContact O-CB 3.33Å; M956-L960 WeakPolarHBondContact O-CG 3.3Å; M956-L960 PolarHBondContact O-N 2.93Å; L960-R963 PolarHBondContact O-N 3.13Å; L960-L964 WeakPolarHBondContact O-CB 3.33Å; L960-L964 PolarHBondContact O-N 3.35Å
961	K	97.4	Very high	95.6	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-45.3	172.8	-75	165.8	-172.7	162.7	0	111.3	V905 G957 E958 L959 R963 L964 E965	V905-K961 HydrophobicContact CG1-CD 4.45Å; V905-K961 HydrophobicContact CG1-CG 3.88Å; V905-K961 HydrophobicContact CG2-CG 4.38Å; G957-K961 WeakPolarHBondContact O-CB 3.32Å; G957-K961 WeakPolarHBondContact O-CD 3.36Å; G957-K961 VanDerWaalsContact O-CG 3.22Å; G957-K961 WeakPolarHBondContact O-CG 3.28Å; G957-K961 PolarHBondContact O-N 3.39Å; E958-K961 PolarHBondContact O-N 2.8Å; L959-K961 PolarHBondContact O-N 2.78Å; K961-R963 VanDerWaalsContact C-N 3.33Å; K961-R963 PolarHBondContact O-N 3.27Å; K961-L964 PolarHBondContact O-N 2.54Å; K961-E965 PolarHBondContact O-N 2.68Å
962	K	96.8	Very high	94.9	Very high	94 Å²	94	47.2 Å²	47.2	41%	0.409	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-42.2	174.4	-69.6	173.7	-175.1	167.3	0	111.3	I627 E958 L959 E965 T966	I627-K962 HydrophobicContact CD1-CB 4.36Å; I627-K962 HydrophobicContact CG2-CB 4.18Å; I627-K962 HydrophobicContact CG2-CD 4.41Å; E958-K962 WeakPolarHBondContact O-CG 3.17Å; E958-K962 PolarHBondContact O-N 2.71Å; E958-K962 WeakPolarHBondContact OE1-CE 3.33Å; E958-K962 IonicContact OE1-NZ 2.63Å; E958-K962 PolarHBondContact OE1-NZ 2.93Å; L959-K962 WeakPolarHBondContact O-CB 3.03Å; L959-K962 PolarHBondContact O-N 3.15Å; K962-E965 WeakPolarHBondContact O-CB 3.47Å; K962-E965 PolarHBondContact O-N 3.36Å; K962-T966 WeakPolarHBondContact O-CG2 3.32Å
963	R	95.6	Very high	94.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-39.4	177.3	-73.8	-75.1	173.4	-155.2	-5	112.7	L621 L622 A625 I627 S849 L852 L959 L960 K961 E965 T966	L621-R963 PolarHBondContact O-NH2 3.28Å; L622-R963 PolarHBondContact O-NH2 3.48Å; A625-R963 PolarHBondContact O-NH1 3.39Å; A625-R963 PolarHBondContact O-NH2 2.78Å; I627-R963 HydrophobicContact CD1-CG 4.25Å; I627-R963 VanDerWaalsContact CD1-CZ 3.47Å; S849-R963 PolarHBondContact OG-NE 2.92Å; L852-R963 HydrophobicContact CD1-CB 4.07Å; L959-R963 HydrophobicContact CD1-CG 4.44Å; L959-R963 WeakPolarHBondContact O-CG 3.39Å; L959-R963 PolarHBondContact O-N 2.89Å; L960-R963 PolarHBondContact O-N 3.13Å; K961-R963 VanDerWaalsContact C-N 3.33Å; K961-R963 PolarHBondContact O-N 3.27Å; R963-E965 VanDerWaalsContact C-N 3.26Å; R963-E965 PolarHBondContact O-N 2.88Å; R963-T966 WeakPolarHBondContact O-CB 3.46Å; R963-T966 PolarHBondContact O-N 3.38Å; R963-T966 PolarHBondContact O-OG1 3.31Å
964	L	96.4	Very high	94.6	Very high	38 Å²	38	52.2 Å²	52.2	20%	0.199	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-40.8	175.7	-178.6	59.6	0	0	0	111.2	Q898 I901 L960 K961 T966 T967	Q898-L964 HydrophobicContact CB-CD1 4.49Å; I901-L964 HydrophobicContact CB-CD1 4.02Å; I901-L964 HydrophobicContact CG2-CB 3.84Å; I901-L964 HydrophobicContact CG2-CD1 3.93Å; I901-L964 HydrophobicContact CG2-CG 4.34Å; L960-L964 WeakPolarHBondContact O-CB 3.33Å; L960-L964 PolarHBondContact O-N 3.35Å; K961-L964 PolarHBondContact O-N 2.54Å; L964-T966 VanDerWaalsContact C-N 3.27Å; L964-T966 PolarHBondContact O-N 3.31Å; L964-T967 WeakPolarHBondContact O-CB 2.93Å; L964-T967 PolarHBondContact O-N 3.5Å; L964-T967 PolarHBondContact O-OG1 3.2Å
965	E	94.8	Very high	94.4	Very high	106 Å²	106	50.5 Å²	50.5	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-34.2	176.1	-72	-63.5	131	0	0	113	K961 K962 R963 T967 K968	K961-E965 PolarHBondContact O-N 2.68Å; K962-E965 WeakPolarHBondContact O-CB 3.47Å; K962-E965 PolarHBondContact O-N 3.36Å; R963-E965 VanDerWaalsContact C-N 3.26Å; R963-E965 PolarHBondContact O-N 2.88Å; E965-T967 PolarHBondContact O-N 3.11Å; E965-K968 WeakPolarHBondContact O-CB 3.5Å; E965-K968 PolarHBondContact O-N 3.42Å; E965-K968 WeakPolarHBondContact OE1-CE 3.27Å; E965-K968 IonicContact OE1-NZ 2.88Å; E965-K968 PolarHBondContact OE1-NZ 3.42Å; E965-K968 VanDerWaalsContact OE2-CE 3.29Å; E965-K968 WeakPolarHBondContact OE2-CE 3.3Å; E965-K968 IonicContact OE2-NZ 3.23Å; E965-K968 PolarHBondContact OE2-NZ 3.1Å
966	T	93.9	Very high	94.2	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-29.6	178.8	74.8	0	0	0	0	112.6	N626 I627 K962 R963 L964 K968 K969	N626-T966 WeakPolarHBondContact O-CG2 3.27Å; I627-T966 HydrophobicContact CG1-CG2 4.16Å; K962-T966 WeakPolarHBondContact O-CG2 3.32Å; R963-T966 WeakPolarHBondContact O-CB 3.46Å; R963-T966 PolarHBondContact O-N 3.38Å; R963-T966 PolarHBondContact O-OG1 3.31Å; L964-T966 VanDerWaalsContact C-N 3.27Å; L964-T966 PolarHBondContact O-N 3.31Å; T966-K968 PolarHBondContact O-N 3.41Å; T966-K968 VanDerWaalsContact O-N 3.15Å; T966-K969 WeakPolarHBondContact O-CB 3.35Å; T966-K969 PolarHBondContact O-N 3.16Å
967	T	93.6	Very high	93.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-62.6	-23.1	179.1	69.7	0	0	0	0	113.1	L852 Q898 I901 L964 E965 K969 L970	L852-T967 HydrophobicContact CD2-CG2 3.76Å; Q898-T967 HydrophobicContact CG-CG2 4.26Å; Q898-T967 WeakPolarHBondContact CG-OG1 3.21Å; Q898-T967 PolarHBondContact NE2-OG1 2.86Å; I901-T967 HydrophobicContact CD1-CG2 4.02Å; L964-T967 WeakPolarHBondContact O-CB 2.93Å; L964-T967 PolarHBondContact O-N 3.5Å; L964-T967 PolarHBondContact O-OG1 3.2Å; E965-T967 PolarHBondContact O-N 3.11Å; T967-K969 PolarHBondContact O-N 2.91Å; T967-L970 WeakPolarHBondContact O-CB 3.35Å; T967-L970 PolarHBondContact O-N 3.45Å
968	K	91.5	Very high	93.7	Very high	123 Å²	123	58.3 Å²	58.3	54%	0.535	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-61.3	-30.1	176.2	-64.8	178.2	-176.9	169.1	0	111.6	E965 T966 L970	E965-K968 WeakPolarHBondContact O-CB 3.5Å; E965-K968 PolarHBondContact O-N 3.42Å; E965-K968 WeakPolarHBondContact OE1-CE 3.27Å; E965-K968 IonicContact OE1-NZ 2.88Å; E965-K968 PolarHBondContact OE1-NZ 3.42Å; E965-K968 VanDerWaalsContact OE2-CE 3.29Å; E965-K968 WeakPolarHBondContact OE2-CE 3.3Å; E965-K968 IonicContact OE2-NZ 3.23Å; E965-K968 PolarHBondContact OE2-NZ 3.1Å; T966-K968 PolarHBondContact O-N 3.41Å; T966-K968 VanDerWaalsContact O-N 3.15Å; K968-L970 VanDerWaalsContact C-N 3.28Å; K968-L970 PolarHBondContact O-N 3.25Å
969	K	90.2	Very high	93.4	Very high	139 Å²	139	55 Å²	55	60%	0.604	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-74.8	-16.4	176.9	-61.3	178.6	-178.4	173	0	113	R863 T966 T967	R863-K969 PolarHBondContact NH2-O 2.84Å; T966-K969 WeakPolarHBondContact O-CB 3.35Å; T966-K969 PolarHBondContact O-N 3.16Å; T967-K969 PolarHBondContact O-N 2.91Å
970	L	91.6	Very high	93.1	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-83.3	-15	-177.2	-58.1	-179.3	0	0	0	113.8	L852 S856 E859 F890 V894 T967 K968 I972	L852-L970 HydrophobicContact CD2-CD1 3.98Å; S856-L970 VanDerWaalsContact CA-CD2 3.46Å; E859-L970 HydrophobicContact CB-CD2 4.27Å; F890-L970 WeakPolarHBondContact CE1-O 3.47Å; V894-L970 HydrophobicContact CG1-CB 4Å; V894-L970 HydrophobicContact CG2-CB 4.09Å; T967-L970 WeakPolarHBondContact O-CB 3.35Å; T967-L970 PolarHBondContact O-N 3.45Å; K968-L970 VanDerWaalsContact C-N 3.28Å; K968-L970 PolarHBondContact O-N 3.25Å; L970-I972 PolarHBondContact O-N 3.12Å
971	K	88	Confident	92.7	Very high	92 Å²	92	63.4 Å²	63.4	40%	0.4	29%	0.287	S	S	.	.			trans	-69.1	131.2	178	-64.3	-173.9	173.3	174.5	0	109.9	R863 V894	R863-K971 PolarHBondContact NH2-O 3Å; V894-K971 HydrophobicContact CG1-CG 4.19Å
972	I	82.6	Confident	92.3	Very high	41 Å²	41	60 Å²	60	21%	0.21	27%	0.274	C	S	.	.			trans	-119.4	0	-177.4	58.8	174.3	0	0	0	112.8	E859 L862 R863 K866 F887 F890 L970	E859-I972 HydrophobicContact CG-CG2 3.51Å; L862-I972 HydrophobicContact CB-CD1 3.71Å; L862-I972 HydrophobicContact CD1-CD1 4.34Å; R863-I972 HydrophobicContact CB-CG2 3.85Å; R863-I972 HydrophobicContact CG-CG2 4.46Å; K866-I972 HydrophobicContact CD-CB 4.39Å; K866-I972 HydrophobicContact CD-CD1 4.47Å; K866-I972 HydrophobicContact CD-CG1 4.27Å; K866-I972 WeakPolarHBondContact CD-OXT 3.36Å; K866-I972 VanDerWaalsContact CE-OXT 3.29Å; K866-I972 WeakPolarHBondContact CE-OXT 3.46Å; K866-I972 PolarHBondContact NZ-O 3.3Å; K866-I972 PolarHBondContact NZ-OXT 2.71Å; F887-I972 HydrophobicContact CD1-CD1 3.84Å; F887-I972 HydrophobicContact CE1-CD1 4.43Å; F890-I972 HydrophobicContact CD1-CD1 3.5Å; F890-I972 VanDerWaalsContact CD1-CD1 3.5Å; F890-I972 HydrophobicContact CD1-CG1 3.82Å; F890-I972 HydrophobicContact CE1-CD1 3.92Å; F890-I972 HydrophobicContact CE1-CG1 4.08Å; F890-I972 HydrophobicContact CE1-CG2 4.27Å; F890-I972 HydrophobicContact CG-CD1 4.49Å; L970-I972 PolarHBondContact O-N 3.12Å

Retrieved 972 of 972 residues in 269.3 ms (Link to these results)

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