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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 A0A060X645, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523829, Length 974 aa.

						>A0A060X645_ONCMY|A0A060X645|LOC110523829
MAARGHVQDPNDRRLRPIYDYLDNGNNKMAIQQADKLLKKHKDLHCAKVLKAIGLQRTGKQDEAFSLAQEVATLEPTDDNSLQALTILYREMHHPELVTKLYEAAVKKVPLSEEYHSHLFMAYARVGEYKKMQQAGMALYKIVPKNPYYFWSVMSLVMQAISAQDEKLAQTMFLPLAERMVEKMVKEEKIEAEAEVQLYFMILERLGKCVEALDVVRGPLGEKLTSELRSRENKCMMMYQRLQLWPECNALSYKLLLKNPDDWQFYLSYFDSLFHLMDKSWSQPEEGEHCVEGPVQTTVAEAVKFVVDRMEEQDKKESRPLRGPYLACLELIHRLRQRGCPDEKELGDPLELMVQFFGKFGDKPCCITDLKIYLHLLPPEQRSQFKKRLGELVPLGEAGEDGFGFPGDTKALQRHLCVCQLSRALGLQHALDTEGKLRLITELKAHYHHGLQFGKSCLKTELQFSDMYCLMAAHVYVDLWTETGDENMLWQCLGVLEEGLSFSPSNAQFKLLLLLLFCRLGAFQPVVDLYSSLDAKHVQHDTIGYLLTRYAGSLGQFAAASQSCNFSLRFFHSNQKDTSEYIIQAYKYGAFEKIPEFIAFRTRLNQSLHFAQVRTERMLLDLYTEADVTLSLEESVKAMGVCPEEDDIPWDNMRDNRDLTVLVSWDPKDRELTEEHRRLSLEEESVWLKVRSLTLRLLASLALLGHAPSPRNSDKTNENGISAKSSTLQTLLSQLDQTLETAAQITEKQTQYPFLGPPSSRLASALSSGSCHCQASALQLSLTLRELETTGLDDSTELQTQICNAFKSSVAQLQEMLSRCKGEVLEMKDGRLTTRPSLLETLVFFVETVCVVLWVASYSASVLRPLKSSLQKKKKKKKDSSSAMPVVLCGFQEWTGSLQGVVTQALDHVKGQEASLTALKLAALTLEEGYSQTQEECGFTRAAMDKVQSSYLGSLQELGDLLRKRADSLKSLKI
					

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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	26.7	Very low	40.5	Very low	258 Å²	258	129.7 Å²	129.7	100%	1.271	71%	0.714	S	S	*	*				0	83.2	0	-72.9	-173.7	-171.6	0	0	109.1
2	A	27.7	Very low	42.5	Very low	76 Å²	76	123.3 Å²	123.3	63%	0.628	68%	0.678	S	S	*	*			trans	-110	148.2	173.2	0	0	0	0	0	109.6
3	A	31.3	Very low	44.8	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	68%	0.682	S	S	*	*			trans	77	73.5	170.2	0	0	0	0	0	118.3
4	R	31.8	Very low	47.3	Very low	264 Å²	264	127.3 Å²	127.3	100%	0.996	66%	0.663	S	S	*	*			trans	-138.2	67.7	142.5	-74	-165.4	-179.4	178.5	1.1	110.4
5	G	29.3	Very low	49.7	Very low	67 Å²	67	118.9 Å²	118.9	69%	0.691	62%	0.619	S	S	*	*	S	Bend	trans	-128.2	143.9	164.5	0	0	0	0	0	108.4
6	H	33.2	Very low	51.9	Low	185 Å²	185	121.6 Å²	121.6	86%	0.856	62%	0.619	S	S	*	*			trans	-45.4	128.8	-167.2	-97	-79.7	0	0	0	116.3	Q8	H6-Q8 PolarHBondContact O-N 3.34Å
7	V	42.1	Very low	54	Low	87 Å²	87	117.7 Å²	117.7	53%	0.527	60%	0.603	S	S	.	*			trans	-71.9	109.3	174.1	178.9	0	0	0	0	110.3
8	Q	43.8	Very low	55.9	Low	181 Å²	181	111.2 Å²	111.2	85%	0.846	57%	0.57	S	S	*	*			trans	-128.9	-12.2	167.1	-77.3	-173.6	-10.7	0	0	114.9	H6	H6-Q8 PolarHBondContact O-N 3.34Å
9	D	56.2	Low	57.5	Low	68 Å²	68	108.6 Å²	108.6	36%	0.364	55%	0.553	S	S	.	*			trans	-103.5	126.6	-179.2	-163.1	-32.5	0	0	0	113.2	N11 D12	D9-N11 PolarHBondContact O-N 3.12Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CB 3.48Å; D9-N11 PolarHBondContact OD1-N 3.19Å; D9-N11 PolarHBondContact OD1-ND2 2.76Å; D9-D12 PolarHBondContact O-N 2.84Å; D9-D12 VanDerWaalsContact O-N 3.13Å
10	P	58	Low	58.9	Low	89 Å²	89	106.9 Å²	106.9	58%	0.578	55%	0.545	S	S	*	.	H	α-helix	trans	-52.3	-25.8	169.8	-26.3	33.5	0	0	0	115.1
11	N	65.2	Low	60.3	Low	54 Å²	54	105.4 Å²	105.4	29%	0.289	53%	0.533	S	S	.	.	H	α-helix	trans	-71.8	-32.8	178	-67.2	-40.8	0	0	0	112.7	D9 R13 R14 L15 L44	D9-N11 PolarHBondContact O-N 3.12Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CB 3.48Å; D9-N11 PolarHBondContact OD1-N 3.19Å; D9-N11 PolarHBondContact OD1-ND2 2.76Å; N11-R13 VanDerWaalsContact C-N 3.32Å; N11-R13 PolarHBondContact O-N 3.27Å; N11-R14 WeakPolarHBondContact O-CB 3.45Å; N11-R14 PolarHBondContact O-N 3.35Å; N11-R14 VanDerWaalsContact O-N 3.07Å; N11-L15 WeakPolarHBondContact O-CG 3.44Å; N11-L15 PolarHBondContact O-N 3.18Å; N11-L15 VanDerWaalsContact O-N 3.13Å; N11-L44 HydrophobicContact CB-CD1 4.41Å
12	D	64.1	Low	63.1	Low	53 Å²	53	93.5 Å²	93.5	28%	0.283	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-38.4	178.7	-74.2	-18	0	0	0	112.3	D9 R14 L15 R16 N80	D9-D12 PolarHBondContact O-N 2.84Å; D9-D12 VanDerWaalsContact O-N 3.13Å; D12-R14 VanDerWaalsContact C-N 3.25Å; D12-R14 PolarHBondContact O-N 3.13Å; D12-L15 PolarHBondContact O-N 3.28Å; D12-R16 PolarHBondContact O-N 3.25Å; D12-N80 PolarHBondContact OD1-ND2 2.87Å
13	R	72.7	Confident	65.8	Low	191 Å²	191	95.2 Å²	95.2	72%	0.721	47%	0.473	S	S	*	.	H	α-helix	trans	-64.8	-30.5	176	-70.5	-174.2	179.6	-175.9	0.6	112.5	N11	N11-R13 VanDerWaalsContact C-N 3.32Å; N11-R13 PolarHBondContact O-N 3.27Å
14	R	79.6	Confident	68.2	Low	111 Å²	111	96.1 Å²	96.1	42%	0.419	46%	0.464	S	S	.	.	H	α-helix	trans	-80.2	-29	-179.4	-65.1	174.6	-179.9	172.4	-0.5	112.5	N11 D12 P17 L37 H41	N11-R14 WeakPolarHBondContact O-CB 3.45Å; N11-R14 PolarHBondContact O-N 3.35Å; N11-R14 VanDerWaalsContact O-N 3.07Å; D12-R14 VanDerWaalsContact C-N 3.25Å; D12-R14 PolarHBondContact O-N 3.13Å; R14-P17 WeakPolarHBondContact O-CD 3.48Å; R14-L37 HydrophobicContact CB-CD1 4.11Å; R14-L37 HydrophobicContact CB-CD2 4.45Å; R14-H41 PolarHBondContact NH1-CE1 3.1Å; R14-H41 PolarHBondContact NH1-NE2 3.1Å
15	L	83.9	Confident	70.6	Confident	2 Å²	2	85.8 Å²	85.8	1%	0.01	44%	0.44	C	S	.	.	H	α-helix	trans	-82.4	-25.6	179.6	-66.9	168.3	0	0	0	112.9	N11 D12 I18 Y19 L37 L44 C46 A47 L50	N11-L15 WeakPolarHBondContact O-CG 3.44Å; N11-L15 PolarHBondContact O-N 3.18Å; N11-L15 VanDerWaalsContact O-N 3.13Å; D12-L15 PolarHBondContact O-N 3.28Å; L15-I18 HydrophobicContact CD2-CD1 4.43Å; L15-I18 WeakPolarHBondContact O-CA 3.3Å; L15-I18 WeakPolarHBondContact O-CB 3.15Å; L15-I18 PolarHBondContact O-N 3.23Å; L15-Y19 HydrophobicContact CB-CD2 4.15Å; L15-Y19 HydrophobicContact CB-CE2 3.91Å; L15-Y19 PolarHBondContact O-N 3.08Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; L15-L44 HydrophobicContact CD2-CD2 3.89Å; L15-L44 HydrophobicContact CD2-CG 4.49Å; L15-L44 HydrophobicContact CG-CD2 4.42Å; L15-C46 HydrophobicContact CD1-CB 4.04Å; L15-C46 HydrophobicContact CD2-CB 4.44Å; L15-A47 HydrophobicContact CD2-CB 3.89Å; L15-L50 HydrophobicContact CD2-CD1 4.06Å
16	R	85.5	Confident	73.4	Confident	162 Å²	162	86.8 Å²	86.8	61%	0.611	43%	0.43	S	S	*	.	H	α-helix	trans	-50.1	-45.2	-176.9	-168.9	172.2	-174.7	167.5	2.5	115.5	D12 I18 Y19 D20	D12-R16 PolarHBondContact O-N 3.25Å; R16-I18 PolarHBondContact O-N 3.19Å; R16-Y19 PolarHBondContact O-N 3.3Å; R16-D20 VanDerWaalsContact O-CG 3.3Å; R16-D20 PolarHBondContact O-N 3.12Å
17	P	86.8	Confident	76	Confident	55 Å²	55	79.3 Å²	79.3	36%	0.357	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-32.9	176.9	-23.5	34.9	0	0	0	113.1	R14 Y21	R14-P17 WeakPolarHBondContact O-CD 3.48Å; P17-Y21 WeakPolarHBondContact O-CD2 3.42Å; P17-Y21 PolarHBondContact O-N 2.95Å
18	I	87.5	Confident	78.3	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-70.4	-45.2	178.3	-55.6	169.4	0	0	0	109.6	L15 R16 Y21 L22 A30 Q33 A34 L37 A47 L50	L15-I18 HydrophobicContact CD2-CD1 4.43Å; L15-I18 WeakPolarHBondContact O-CA 3.3Å; L15-I18 WeakPolarHBondContact O-CB 3.15Å; L15-I18 PolarHBondContact O-N 3.23Å; R16-I18 PolarHBondContact O-N 3.19Å; I18-Y21 PolarHBondContact O-N 3.4Å; I18-L22 HydrophobicContact CG2-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 3.01Å; I18-A30 HydrophobicContact CG2-CB 4.38Å; I18-Q33 HydrophobicContact CG1-CB 3.97Å; I18-A34 HydrophobicContact CD1-CB 3.96Å; I18-A34 HydrophobicContact CG2-CB 4.46Å; I18-L37 HydrophobicContact CD1-CD2 3.77Å; I18-A47 HydrophobicContact CD1-CB 4.45Å; I18-L50 HydrophobicContact CB-CD1 4.12Å; I18-L50 HydrophobicContact CG2-CB 3.7Å; I18-L50 HydrophobicContact CG2-CD1 3.86Å; I18-L50 HydrophobicContact CG2-CG 4.39Å
19	Y	86.9	Confident	80.4	Confident	61 Å²	61	77.5 Å²	77.5	24%	0.239	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-47.9	174.1	-75.6	-65.3	0	0	0	112.1	L15 R16 Y21 L22 D23 L50	L15-Y19 HydrophobicContact CB-CD2 4.15Å; L15-Y19 HydrophobicContact CB-CE2 3.91Å; L15-Y19 PolarHBondContact O-N 3.08Å; R16-Y19 PolarHBondContact O-N 3.3Å; Y19-Y21 VanDerWaalsContact C-N 3.29Å; Y19-Y21 PolarHBondContact O-N 3.23Å; Y19-L22 PolarHBondContact O-N 3.41Å; Y19-L22 VanDerWaalsContact O-N 3.09Å; Y19-D23 WeakPolarHBondContact O-CB 3.49Å; Y19-D23 PolarHBondContact O-N 2.89Å; Y19-L50 HydrophobicContact CD1-CD1 4.49Å; Y19-L50 HydrophobicContact CD1-CD2 4.11Å; Y19-L50 HydrophobicContact CD2-CD1 4.31Å; Y19-L50 HydrophobicContact CE1-CD1 4.12Å; Y19-L50 HydrophobicContact CE1-CD2 3.49Å; Y19-L50 VanDerWaalsContact CE1-CD2 3.49Å; Y19-L50 HydrophobicContact CE1-CG 4.44Å; Y19-L50 HydrophobicContact CE2-CD1 3.94Å
20	D	86.3	Confident	82	Confident	75 Å²	75	74.2 Å²	74.2	40%	0.401	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-39.6	179.8	-66	-23.8	0	0	0	111.4	R16 N24	R16-D20 VanDerWaalsContact O-CG 3.3Å; R16-D20 PolarHBondContact O-N 3.12Å; D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.47Å; D20-N24 VanDerWaalsContact O-CG 3.23Å; D20-N24 PolarHBondContact O-N 2.95Å; D20-N24 VanDerWaalsContact O-N 3.08Å; D20-N24 PolarHBondContact O-ND2 3.1Å
21	Y	88.4	Confident	83.5	Confident	76 Å²	76	71.2 Å²	71.2	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-71.2	-36.4	175.8	-76.2	-59.5	0	0	0	113.1	P17 I18 Y19 G25 N26 M29 Q33	P17-Y21 WeakPolarHBondContact O-CD2 3.42Å; P17-Y21 PolarHBondContact O-N 2.95Å; I18-Y21 PolarHBondContact O-N 3.4Å; Y19-Y21 VanDerWaalsContact C-N 3.29Å; Y19-Y21 PolarHBondContact O-N 3.23Å; Y21-G25 PolarHBondContact O-N 3.31Å; Y21-N26 HydrophobicContact CD1-CB 3.99Å; Y21-N26 CarbonylContact O-C 3.25Å; Y21-N26 WeakPolarHBondContact O-CA 3.47Å; Y21-N26 PolarHBondContact O-N 2.63Å; Y21-M29 HydrophobicContact CD1-CB 3.62Å; Y21-M29 HydrophobicContact CD1-CG 4.43Å; Y21-M29 HydrophobicContact CD2-CB 4.26Å; Y21-M29 HydrophobicContact CE1-CB 3.88Å; Y21-M29 HydrophobicContact CE1-CE 4.44Å; Y21-M29 HydrophobicContact CE1-CG 4.36Å; Y21-M29 HydrophobicContact CG-CB 3.84Å; Y21-Q33 HydrophobicContact CD2-CG 3.81Å; Y21-Q33 HydrophobicContact CE2-CG 3.69Å
22	L	85.2	Confident	84.8	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-41.1	176.1	-73.1	172.7	0	0	0	111.9	I18 Y19 G25 A30 L50 I53 R57	I18-L22 HydrophobicContact CG2-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 3.01Å; Y19-L22 PolarHBondContact O-N 3.41Å; Y19-L22 VanDerWaalsContact O-N 3.09Å; L22-G25 PolarHBondContact O-N 2.94Å; L22-G25 VanDerWaalsContact O-N 3.17Å; L22-A30 HydrophobicContact CD2-CB 3.58Å; L22-A30 HydrophobicContact CG-CB 3.65Å; L22-L50 HydrophobicContact CD1-CB 4.18Å; L22-L50 HydrophobicContact CD1-CD2 3.97Å; L22-I53 HydrophobicContact CD1-CG2 4.36Å; L22-I53 HydrophobicContact CD2-CG2 4.22Å; L22-R57 PolarHBondContact O-NH1 3.27Å
23	D	83.5	Confident	86	Confident	111 Å²	111	73 Å²	73	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-70.6	-33.5	179.7	-75.1	-10.2	0	0	0	111.7	Y19 G25	Y19-D23 WeakPolarHBondContact O-CB 3.49Å; Y19-D23 PolarHBondContact O-N 2.89Å; D23-G25 PolarHBondContact O-N 3.16Å
24	N	83.1	Confident	86.8	Confident	117 Å²	117	63.9 Å²	63.9	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	5.5	172.2	-70.4	-47.4	0	0	0	113.7	D20 N26	D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.47Å; D20-N24 VanDerWaalsContact O-CG 3.23Å; D20-N24 PolarHBondContact O-N 2.95Å; D20-N24 VanDerWaalsContact O-N 3.08Å; D20-N24 PolarHBondContact O-ND2 3.1Å; N24-N26 PolarHBondContact O-N 3Å
25	G	81.5	Confident	87.3	Confident	47 Å²	47	61.2 Å²	61.2	49%	0.485	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	4.6	179.6	0	0	0	0	0	115.3	Y21 L22 D23 N27	Y21-G25 PolarHBondContact O-N 3.31Å; L22-G25 PolarHBondContact O-N 2.94Å; L22-G25 VanDerWaalsContact O-N 3.17Å; D23-G25 PolarHBondContact O-N 3.16Å; G25-N27 VanDerWaalsContact C-N 3.25Å; G25-N27 PolarHBondContact O-N 3.44Å
26	N	87.9	Confident	87.7	Confident	88 Å²	88	66.4 Å²	66.4	47%	0.471	33%	0.328	S	S	.	.			trans	-83.5	62.4	-179.3	-76.2	-44.8	0	0	0	111.7	Y21 N24 K28 M29 A30	Y21-N26 HydrophobicContact CD1-CB 3.99Å; Y21-N26 CarbonylContact O-C 3.25Å; Y21-N26 WeakPolarHBondContact O-CA 3.47Å; Y21-N26 PolarHBondContact O-N 2.63Å; N24-N26 PolarHBondContact O-N 3Å; N26-K28 VanDerWaalsContact C-N 3.29Å; N26-K28 PolarHBondContact O-N 2.74Å; N26-M29 HydrophobicContact CB-CB 4.31Å; N26-M29 PolarHBondContact O-N 3.43Å; N26-A30 PolarHBondContact O-N 3.25Å
27	N	88.7	Confident	87.8	Confident	28 Å²	28	59.7 Å²	59.7	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-36.6	-173	-60.3	-46.9	0	0	0	113.5	G25 M29 A30 I31 R57 T58	G25-N27 VanDerWaalsContact C-N 3.25Å; G25-N27 PolarHBondContact O-N 3.44Å; N27-M29 PolarHBondContact O-N 3.41Å; N27-A30 WeakPolarHBondContact O-CB 3.45Å; N27-A30 PolarHBondContact O-N 2.97Å; N27-I31 WeakPolarHBondContact O-CD1 3.37Å; N27-I31 VanDerWaalsContact O-CG1 3.26Å; N27-I31 WeakPolarHBondContact O-CG1 3.38Å; N27-I31 PolarHBondContact O-N 2.94Å; N27-R57 HydrophobicContact CB-CB 4.49Å; N27-R57 WeakPolarHBondContact ND2-CB 3.28Å; N27-R57 WeakPolarHBondContact OD1-CD 3.43Å; N27-T58 HydrophobicContact CB-CG2 3.71Å
28	K	89.4	Confident	87.9	Confident	161 Å²	161	58.1 Å²	58.1	70%	0.7	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-41.2	177.2	-67.6	-177	-178.8	176.9	0	112.4	N26 Q32	N26-K28 VanDerWaalsContact C-N 3.29Å; N26-K28 PolarHBondContact O-N 2.74Å; K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.44Å; K28-Q32 VanDerWaalsContact O-N 3.16Å
29	M	87.9	Confident	87.9	Confident	69 Å²	69	66.2 Å²	66.2	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-71.7	-37.4	177.9	-69.3	-61.9	-70.2	0	0	111.1	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 4.26Å; Y21-M29 HydrophobicContact CE1-CB 3.88Å; Y21-M29 HydrophobicContact CE1-CE 4.44Å; Y21-M29 HydrophobicContact CE1-CG 4.36Å; Y21-M29 HydrophobicContact CG-CB 3.84Å; N26-M29 HydrophobicContact CB-CB 4.31Å; N26-M29 PolarHBondContact O-N 3.43Å; N27-M29 PolarHBondContact O-N 3.41Å; M29-I31 PolarHBondContact O-N 2.97Å; M29-Q32 PolarHBondContact O-N 3.42Å; M29-Q33 WeakPolarHBondContact O-CG 3.29Å; M29-Q33 PolarHBondContact O-N 3.2Å
30	A	89.7	Confident	87.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-47.2	173	0	0	0	0	0	111.9	I18 L22 N26 N27 Q32 Q33 A34	I18-A30 HydrophobicContact CG2-CB 4.38Å; L22-A30 HydrophobicContact CD2-CB 3.58Å; L22-A30 HydrophobicContact CG-CB 3.65Å; N26-A30 PolarHBondContact O-N 3.25Å; N27-A30 WeakPolarHBondContact O-CB 3.45Å; N27-A30 PolarHBondContact O-N 2.97Å; A30-Q32 VanDerWaalsContact C-N 3.35Å; A30-Q32 PolarHBondContact O-N 3.32Å; A30-Q33 PolarHBondContact O-N 3.2Å; A30-A34 WeakPolarHBondContact O-CB 3.34Å; A30-A34 PolarHBondContact O-N 3.38Å
31	I	90.6	Very high	87.7	Confident	26 Å²	26	71.4 Å²	71.4	13%	0.133	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-46.2	176.2	-66	161.5	0	0	0	110.7	N27 M29 Q33 A34 D35 K51 L55 T58	N27-I31 WeakPolarHBondContact O-CD1 3.37Å; N27-I31 VanDerWaalsContact O-CG1 3.26Å; N27-I31 WeakPolarHBondContact O-CG1 3.38Å; N27-I31 PolarHBondContact O-N 2.94Å; M29-I31 PolarHBondContact O-N 2.97Å; I31-Q33 PolarHBondContact O-N 2.86Å; I31-A34 PolarHBondContact O-N 3.12Å; I31-D35 PolarHBondContact O-N 3.05Å; I31-K51 HydrophobicContact CG2-CG 4.35Å; I31-L55 HydrophobicContact CD1-CD2 4.01Å; I31-L55 HydrophobicContact CD1-CG 4.26Å; I31-T58 HydrophobicContact CD1-CG2 4.29Å
32	Q	91.9	Very high	87.3	Confident	97 Å²	97	75 Å²	75	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-40.1	179.2	-71.9	178.2	15.2	0	0	113	K28 M29 A30 D35 K36	K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.44Å; K28-Q32 VanDerWaalsContact O-N 3.16Å; M29-Q32 PolarHBondContact O-N 3.42Å; A30-Q32 VanDerWaalsContact C-N 3.35Å; A30-Q32 PolarHBondContact O-N 3.32Å; Q32-D35 PolarHBondContact O-N 3.43Å; Q32-K36 VanDerWaalsContact O-CG 3.31Å; Q32-K36 WeakPolarHBondContact O-CG 3.33Å; Q32-K36 PolarHBondContact O-N 2.62Å
33	Q	89.3	Confident	86.9	Confident	47 Å²	47	81.2 Å²	81.2	22%	0.22	40%	0.4	C	S	.	.	H	α-helix	trans	-69.9	-38.5	177	-67.1	-59.6	-21.1	0	0	111.6	I18 Y21 M29 A30 I31 K36 L37	I18-Q33 HydrophobicContact CG1-CB 3.97Å; Y21-Q33 HydrophobicContact CD2-CG 3.81Å; Y21-Q33 HydrophobicContact CE2-CG 3.69Å; M29-Q33 WeakPolarHBondContact O-CG 3.29Å; M29-Q33 PolarHBondContact O-N 3.2Å; A30-Q33 PolarHBondContact O-N 3.2Å; I31-Q33 PolarHBondContact O-N 2.86Å; Q33-K36 PolarHBondContact O-N 3.1Å; Q33-L37 WeakPolarHBondContact O-CB 3.45Å; Q33-L37 PolarHBondContact O-N 3.23Å
34	A	89.5	Confident	87	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-45	172.8	0	0	0	0	0	111.4	I18 A30 I31 K36 L37 L38 K51	I18-A34 HydrophobicContact CD1-CB 3.96Å; I18-A34 HydrophobicContact CG2-CB 4.46Å; A30-A34 WeakPolarHBondContact O-CB 3.34Å; A30-A34 PolarHBondContact O-N 3.38Å; I31-A34 PolarHBondContact O-N 3.12Å; A34-K36 PolarHBondContact O-N 3.44Å; A34-L37 PolarHBondContact O-N 2.95Å; A34-L37 VanDerWaalsContact O-N 3.16Å; A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 VanDerWaalsContact O-CG 3.24Å; A34-L38 WeakPolarHBondContact O-CG 3.45Å; A34-L38 PolarHBondContact O-N 2.9Å; A34-K51 HydrophobicContact CB-CB 3.77Å; A34-K51 HydrophobicContact CB-CG 4.45Å
35	D	90.9	Very high	87.2	Confident	54 Å²	54	73.7 Å²	73.7	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-40.5	175.7	-79.2	-31.4	0	0	0	112.7	I31 Q32 L37 K39 K51	I31-D35 PolarHBondContact O-N 3.05Å; Q32-D35 PolarHBondContact O-N 3.43Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.06Å; D35-K39 VanDerWaalsContact O-CG 3.29Å; D35-K39 WeakPolarHBondContact O-CG 3.46Å; D35-K39 PolarHBondContact O-N 3.37Å; D35-K51 WeakPolarHBondContact OD1-CD 3.33Å; D35-K51 VanDerWaalsContact OD1-CE 3.3Å; D35-K51 WeakPolarHBondContact OD1-CE 3.39Å; D35-K51 IonicContact OD1-NZ 3.62Å; D35-K51 PolarHBondContact OD1-NZ 3.36Å; D35-K51 IonicContact OD2-NZ 3.19Å
36	K	90.4	Very high	87.4	Confident	111 Å²	111	71.5 Å²	71.5	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.8	-75.4	172.8	-173.8	173.9	0	111.8	Q32 Q33 A34	Q32-K36 VanDerWaalsContact O-CG 3.31Å; Q32-K36 WeakPolarHBondContact O-CG 3.33Å; Q32-K36 PolarHBondContact O-N 2.62Å; Q33-K36 PolarHBondContact O-N 3.1Å; A34-K36 PolarHBondContact O-N 3.44Å
37	L	88.5	Confident	87.4	Confident	22 Å²	22	67.3 Å²	67.3	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-71.8	-44.3	-180	-171.4	61.4	0	0	0	111.3	R14 L15 I18 Q33 A34 D35 K39 K40 H41 L44 A47	R14-L37 HydrophobicContact CB-CD1 4.11Å; R14-L37 HydrophobicContact CB-CD2 4.45Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; I18-L37 HydrophobicContact CD1-CD2 3.77Å; Q33-L37 WeakPolarHBondContact O-CB 3.45Å; Q33-L37 PolarHBondContact O-N 3.23Å; A34-L37 PolarHBondContact O-N 2.95Å; A34-L37 VanDerWaalsContact O-N 3.16Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.06Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.37Å; L37-K40 PolarHBondContact O-N 3.1Å; L37-H41 PolarHBondContact O-N 3.4Å; L37-L44 HydrophobicContact CD2-CD2 3.66Å; L37-L44 HydrophobicContact CG-CD2 4.05Å; L37-A47 HydrophobicContact CD2-CB 3.92Å; L37-A47 HydrophobicContact CG-CB 4.49Å
38	L	88.8	Confident	87.4	Confident	22 Å²	22	67.9 Å²	67.9	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-27.6	178.4	-69.4	170.2	0	0	0	113.1	A34 K40 H41 K42 A47 K48 K51	A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 VanDerWaalsContact O-CG 3.24Å; A34-L38 WeakPolarHBondContact O-CG 3.45Å; A34-L38 PolarHBondContact O-N 2.9Å; L38-K40 VanDerWaalsContact C-N 3.27Å; L38-K40 PolarHBondContact O-N 3.23Å; L38-H41 CarbonylContact O-C 3.26Å; L38-K42 WeakPolarHBondContact O-CA 3.48Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.36Å; L38-K42 PolarHBondContact O-N 2.77Å; L38-A47 HydrophobicContact CD2-CB 3.91Å; L38-A47 HydrophobicContact CG-CB 4.2Å; L38-K48 HydrophobicContact CD1-CG 3.98Å; L38-K48 HydrophobicContact CD2-CB 4.44Å; L38-K48 HydrophobicContact CD2-CG 3.45Å; L38-K48 VanDerWaalsContact CD2-CG 3.45Å; L38-K48 HydrophobicContact CG-CG 4.37Å; L38-K51 HydrophobicContact CD1-CD 4.2Å
39	K	88.6	Confident	87.5	Confident	171 Å²	171	60.2 Å²	60.2	74%	0.743	28%	0.281	S	S	*	.	H	α-helix	trans	-62	-33.9	170.3	-79.4	175.5	-175.3	-175.8	0	112.8	D35 L37	D35-K39 VanDerWaalsContact O-CG 3.29Å; D35-K39 WeakPolarHBondContact O-CG 3.46Å; D35-K39 PolarHBondContact O-N 3.37Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.37Å
40	K	85	Confident	87.6	Confident	172 Å²	172	57 Å²	57	75%	0.748	27%	0.265	S	S	*	.	H	α-helix	trans	-92.8	-32.5	-179.2	-62.8	-174	-179.8	-176.3	0	112.6	L37 L38	L37-K40 PolarHBondContact O-N 3.1Å; L38-K40 VanDerWaalsContact C-N 3.27Å; L38-K40 PolarHBondContact O-N 3.23Å
41	H	83.4	Confident	87.7	Confident	72 Å²	72	59.1 Å²	59.1	33%	0.333	27%	0.274	S	S	.	.			trans	-135	84.7	-176.5	-60.9	-69.4	0	0	0	109.7	R14 L37 L38 D43 L44	R14-H41 PolarHBondContact NH1-CE1 3.1Å; R14-H41 PolarHBondContact NH1-NE2 3.1Å; L37-H41 PolarHBondContact O-N 3.4Å; L38-H41 CarbonylContact O-C 3.26Å; H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 PolarHBondContact O-N 3.32Å; H41-L44 HydrophobicContact CB-CB 4.19Å; H41-L44 PolarHBondContact O-N 2.92Å
42	K	79.1	Confident	87.7	Confident	152 Å²	152	57.9 Å²	57.9	66%	0.661	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.4	-175.6	-69.8	-176.2	178.9	-177.9	0	113.7	L38 L44 K48	L38-K42 WeakPolarHBondContact O-CA 3.48Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.36Å; L38-K42 PolarHBondContact O-N 2.77Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-K48 VanDerWaalsContact O-CE 3.25Å; K42-K48 WeakPolarHBondContact O-CE 3.37Å
43	D	78	Confident	87.6	Confident	138 Å²	138	53.5 Å²	53.5	74%	0.738	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.2	-175.7	-50.9	-37.8	0	0	0	113.1	H41 H45	H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 PolarHBondContact O-N 3.32Å; D43-H45 PolarHBondContact O-CD2 3.49Å; D43-H45 VanDerWaalsContact O-CD2 3.24Å; D43-H45 PolarHBondContact O-N 3.07Å
44	L	85.3	Confident	87.5	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.131	24%	0.237	C	C	.	.			trans	-79.7	86.6	176.9	-169	64.8	0	0	0	110.1	N11 L15 L37 H41 K42 C46 A47 K48	N11-L44 HydrophobicContact CB-CD1 4.41Å; L15-L44 HydrophobicContact CD2-CD2 3.89Å; L15-L44 HydrophobicContact CD2-CG 4.49Å; L15-L44 HydrophobicContact CG-CD2 4.42Å; L37-L44 HydrophobicContact CD2-CD2 3.66Å; L37-L44 HydrophobicContact CG-CD2 4.05Å; H41-L44 HydrophobicContact CB-CB 4.19Å; H41-L44 PolarHBondContact O-N 2.92Å; K42-L44 VanDerWaalsContact C-N 3.35Å; L44-C46 PolarHBondContact O-N 2.99Å; L44-A47 HydrophobicContact CB-CB 4.33Å; L44-A47 HydrophobicContact CD2-CB 3.89Å; L44-A47 HydrophobicContact CG-CB 4.05Å; L44-A47 PolarHBondContact O-N 3.1Å; L44-A47 VanDerWaalsContact O-N 3.12Å; L44-K48 PolarHBondContact O-N 3.42Å
45	H	85.9	Confident	87.5	Confident	46 Å²	46	51.7 Å²	51.7	21%	0.213	24%	0.239	C	C	.	.	H	α-helix	trans	-52.1	-48.8	-176.3	-64	166.5	0	0	0	112.9	D43 A47 K48 V49 V71 L74 S81	D43-H45 PolarHBondContact O-CD2 3.49Å; D43-H45 VanDerWaalsContact O-CD2 3.24Å; D43-H45 PolarHBondContact O-N 3.07Å; H45-A47 VanDerWaalsContact C-N 3.28Å; H45-A47 PolarHBondContact O-N 3.33Å; H45-K48 WeakPolarHBondContact O-CB 3.37Å; H45-K48 PolarHBondContact O-N 3.5Å; H45-V49 WeakPolarHBondContact O-CG2 3.33Å; H45-V49 PolarHBondContact O-N 2.92Å; H45-V49 VanDerWaalsContact O-N 3.13Å; H45-V71 HydrophobicContact CB-CG1 3.83Å; H45-L74 VanDerWaalsContact NE2-CD1 3.34Å; H45-L74 WeakPolarHBondContact NE2-CD1 3.48Å; H45-S81 WeakPolarHBondContact CB-OG 3.43Å
46	C	86	Confident	87.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-54.1	-41	178.8	-174.9	0	0	0	0	112.6	L15 L44 K48 V49 L50 N80 S81	L15-C46 HydrophobicContact CD1-CB 4.04Å; L15-C46 HydrophobicContact CD2-CB 4.44Å; L44-C46 PolarHBondContact O-N 2.99Å; C46-K48 PolarHBondContact O-N 2.76Å; C46-V49 PolarHBondContact O-N 3.5Å; C46-L50 WeakPolarHBondContact O-CG 3.45Å; C46-L50 PolarHBondContact O-N 3.31Å; C46-N80 HydrophobicContact CB-CB 4.28Å; C46-S81 WeakPolarHBondContact CA-OG 3.39Å; C46-S81 WeakPolarHBondContact CB-OG 3.47Å; C46-S81 PolarHBondContact N-OG 3.44Å
47	A	87.7	Confident	87	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-33.7	178.3	0	0	0	0	0	113.2	L15 I18 L37 L38 L44 H45 K51	L15-A47 HydrophobicContact CD2-CB 3.89Å; I18-A47 HydrophobicContact CD1-CB 4.45Å; L37-A47 HydrophobicContact CD2-CB 3.92Å; L37-A47 HydrophobicContact CG-CB 4.49Å; L38-A47 HydrophobicContact CD2-CB 3.91Å; L38-A47 HydrophobicContact CG-CB 4.2Å; L44-A47 HydrophobicContact CB-CB 4.33Å; L44-A47 HydrophobicContact CD2-CB 3.89Å; L44-A47 HydrophobicContact CG-CB 4.05Å; L44-A47 PolarHBondContact O-N 3.1Å; L44-A47 VanDerWaalsContact O-N 3.12Å; H45-A47 VanDerWaalsContact C-N 3.28Å; H45-A47 PolarHBondContact O-N 3.33Å; A47-K51 PolarHBondContact O-N 2.91Å; A47-K51 VanDerWaalsContact O-N 3.07Å
48	K	90	Very high	86.8	Confident	39 Å²	39	50.8 Å²	50.8	17%	0.17	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-41.4	172.4	-67.8	-171.9	178	178.7	0	111.1	L38 K42 L44 H45 C46 K51 A52 E70 V71	L38-K48 HydrophobicContact CD1-CG 3.98Å; L38-K48 HydrophobicContact CD2-CB 4.44Å; L38-K48 HydrophobicContact CD2-CG 3.45Å; L38-K48 VanDerWaalsContact CD2-CG 3.45Å; L38-K48 HydrophobicContact CG-CG 4.37Å; K42-K48 VanDerWaalsContact O-CE 3.25Å; K42-K48 WeakPolarHBondContact O-CE 3.37Å; L44-K48 PolarHBondContact O-N 3.42Å; H45-K48 WeakPolarHBondContact O-CB 3.37Å; H45-K48 PolarHBondContact O-N 3.5Å; C46-K48 PolarHBondContact O-N 2.76Å; K48-K51 WeakPolarHBondContact O-CB 3.37Å; K48-K51 PolarHBondContact O-N 2.7Å; K48-A52 PolarHBondContact O-N 3.02Å; K48-E70 IonicContact NZ-OE1 3.6Å; K48-E70 PolarHBondContact NZ-OE1 3.07Å; K48-V71 HydrophobicContact CB-CG2 3.81Å; K48-V71 HydrophobicContact CD-CG2 4.07Å
49	V	90.7	Very high	86.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-41.7	179.1	-175.3	0	0	0	0	111.4	H45 C46 K51 A52 I53 V71 A84 L85 L88	H45-V49 WeakPolarHBondContact O-CG2 3.33Å; H45-V49 PolarHBondContact O-N 2.92Å; H45-V49 VanDerWaalsContact O-N 3.13Å; C46-V49 PolarHBondContact O-N 3.5Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.87Å; V49-A52 WeakPolarHBondContact O-CA 3.32Å; V49-A52 WeakPolarHBondContact O-CB 3.29Å; V49-A52 PolarHBondContact O-N 3.39Å; V49-I53 PolarHBondContact O-N 3.05Å; V49-V71 HydrophobicContact CG2-CB 4.01Å; V49-V71 HydrophobicContact CG2-CG1 3.74Å; V49-V71 HydrophobicContact CG2-CG2 3.98Å; V49-A84 HydrophobicContact CB-CB 4.03Å; V49-A84 VanDerWaalsContact CG1-C 3.46Å; V49-A84 HydrophobicContact CG1-CB 3.66Å; V49-L85 HydrophobicContact CG1-CB 4.47Å; V49-L85 HydrophobicContact CG1-CD2 3.87Å; V49-L85 HydrophobicContact CG1-CG 3.97Å; V49-L85 HydrophobicContact CG2-CD2 3.77Å; V49-L85 HydrophobicContact CG2-CG 3.8Å; V49-L88 HydrophobicContact CG1-CB 4.4Å; V49-L88 HydrophobicContact CG1-CD2 4.12Å
50	L	90.4	Very high	86	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-34.7	174.8	-65.1	177.8	0	0	0	112.3	L15 I18 Y19 L22 C46 I53 G54 A84	L15-L50 HydrophobicContact CD2-CD1 4.06Å; I18-L50 HydrophobicContact CB-CD1 4.12Å; I18-L50 HydrophobicContact CG2-CB 3.7Å; I18-L50 HydrophobicContact CG2-CD1 3.86Å; I18-L50 HydrophobicContact CG2-CG 4.39Å; Y19-L50 HydrophobicContact CD1-CD1 4.49Å; Y19-L50 HydrophobicContact CD1-CD2 4.11Å; Y19-L50 HydrophobicContact CD2-CD1 4.31Å; Y19-L50 HydrophobicContact CE1-CD1 4.12Å; Y19-L50 HydrophobicContact CE1-CD2 3.49Å; Y19-L50 VanDerWaalsContact CE1-CD2 3.49Å; Y19-L50 HydrophobicContact CE1-CG 4.44Å; Y19-L50 HydrophobicContact CE2-CD1 3.94Å; L22-L50 HydrophobicContact CD1-CB 4.18Å; L22-L50 HydrophobicContact CD1-CD2 3.97Å; C46-L50 WeakPolarHBondContact O-CG 3.45Å; C46-L50 PolarHBondContact O-N 3.31Å; L50-I53 HydrophobicContact CD2-CD1 4.17Å; L50-I53 PolarHBondContact O-N 3.11Å; L50-G54 PolarHBondContact O-N 2.74Å; L50-G54 VanDerWaalsContact O-N 3.09Å; L50-A84 HydrophobicContact CD2-CB 4.25Å
51	K	91.7	Very high	86	Confident	45 Å²	45	46.1 Å²	46.1	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-45.6	169.4	179.7	179.9	172.2	174.5	0	111.3	I31 A34 D35 L38 A47 K48 V49 I53 G54 L55 L67	I31-K51 HydrophobicContact CG2-CG 4.35Å; A34-K51 HydrophobicContact CB-CB 3.77Å; A34-K51 HydrophobicContact CB-CG 4.45Å; D35-K51 WeakPolarHBondContact OD1-CD 3.33Å; D35-K51 VanDerWaalsContact OD1-CE 3.3Å; D35-K51 WeakPolarHBondContact OD1-CE 3.39Å; D35-K51 IonicContact OD1-NZ 3.62Å; D35-K51 PolarHBondContact OD1-NZ 3.36Å; D35-K51 IonicContact OD2-NZ 3.19Å; L38-K51 HydrophobicContact CD1-CD 4.2Å; A47-K51 PolarHBondContact O-N 2.91Å; A47-K51 VanDerWaalsContact O-N 3.07Å; K48-K51 WeakPolarHBondContact O-CB 3.37Å; K48-K51 PolarHBondContact O-N 2.7Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.87Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.94Å; K51-G54 PolarHBondContact O-N 2.92Å; K51-G54 VanDerWaalsContact O-N 3.16Å; K51-L55 HydrophobicContact CG-CD1 4.16Å; K51-L55 WeakPolarHBondContact O-CG 3.33Å; K51-L55 PolarHBondContact O-N 3.47Å; K51-L67 HydrophobicContact CD-CD1 4.27Å; K51-L67 HydrophobicContact CG-CD1 4.41Å
52	A	91.6	Very high	86.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-38.7	178	0	0	0	0	0	112.2	K48 V49 G54 L55 Q56 A64 L67 L88	K48-A52 PolarHBondContact O-N 3.02Å; V49-A52 WeakPolarHBondContact O-CA 3.32Å; V49-A52 WeakPolarHBondContact O-CB 3.29Å; V49-A52 PolarHBondContact O-N 3.39Å; A52-G54 PolarHBondContact O-N 2.86Å; A52-L55 PolarHBondContact O-N 3Å; A52-Q56 WeakPolarHBondContact O-CB 3.43Å; A52-Q56 PolarHBondContact O-N 3.19Å; A52-A64 HydrophobicContact CB-CB 4.38Å; A52-A64 VanDerWaalsContact O-CB 3.3Å; A52-A64 WeakPolarHBondContact O-CB 3.45Å; A52-L67 HydrophobicContact CB-CB 3.96Å; A52-L67 HydrophobicContact CB-CD1 4.4Å; A52-L88 HydrophobicContact CB-CD2 3.57Å
53	I	88.6	Confident	86.5	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-46.9	171.3	-65.6	173.5	0	0	0	111	L22 V49 L50 K51 L55 Q56 R57 I87 L88	L22-I53 HydrophobicContact CD1-CG2 4.36Å; L22-I53 HydrophobicContact CD2-CG2 4.22Å; V49-I53 PolarHBondContact O-N 3.05Å; L50-I53 HydrophobicContact CD2-CD1 4.17Å; L50-I53 PolarHBondContact O-N 3.11Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.94Å; I53-L55 VanDerWaalsContact C-N 3.29Å; I53-L55 PolarHBondContact O-N 3.19Å; I53-Q56 PolarHBondContact O-N 2.84Å; I53-R57 HydrophobicContact CG2-CG 4.49Å; I53-R57 WeakPolarHBondContact O-CG 3.25Å; I53-R57 PolarHBondContact O-N 3.11Å; I53-I87 HydrophobicContact CD1-CB 4.27Å; I53-I87 HydrophobicContact CD1-CG2 4.01Å; I53-L88 HydrophobicContact CD1-CB 4.43Å; I53-L88 HydrophobicContact CG1-CB 3.83Å; I53-L88 HydrophobicContact CG1-CD1 3.99Å; I53-L88 HydrophobicContact CG1-CG 4.37Å
54	G	88.4	Confident	87.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.2	-42.8	175.2	0	0	0	0	0	112.4	L50 K51 A52 T58	L50-G54 PolarHBondContact O-N 2.74Å; L50-G54 VanDerWaalsContact O-N 3.09Å; K51-G54 PolarHBondContact O-N 2.92Å; K51-G54 VanDerWaalsContact O-N 3.16Å; A52-G54 PolarHBondContact O-N 2.86Å; G54-T58 WeakPolarHBondContact O-CG2 3.39Å; G54-T58 PolarHBondContact O-N 3.5Å; G54-T58 PolarHBondContact O-OG1 3.37Å
55	L	88.4	Confident	87.3	Confident	9 Å²	9	41.5 Å²	41.5	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-65.4	-45.7	177.8	-71.9	167.7	0	0	0	112.2	I31 K51 A52 I53 R57 T58 G59 K60 E63 A64 L67	I31-L55 HydrophobicContact CD1-CD2 4.01Å; I31-L55 HydrophobicContact CD1-CG 4.26Å; K51-L55 HydrophobicContact CG-CD1 4.16Å; K51-L55 WeakPolarHBondContact O-CG 3.33Å; K51-L55 PolarHBondContact O-N 3.47Å; A52-L55 PolarHBondContact O-N 3Å; I53-L55 VanDerWaalsContact C-N 3.29Å; I53-L55 PolarHBondContact O-N 3.19Å; L55-R57 VanDerWaalsContact C-N 3.34Å; L55-R57 PolarHBondContact O-N 3.35Å; L55-T58 WeakPolarHBondContact CA-OG1 3.43Å; L55-T58 CarbonylContact O-C 3.58Å; L55-T58 PolarHBondContact O-N 2.81Å; L55-T58 PolarHBondContact O-OG1 3.43Å; L55-G59 PolarHBondContact O-N 3.46Å; L55-K60 HydrophobicContact CB-CB 4.32Å; L55-K60 HydrophobicContact CD2-CB 4.33Å; L55-K60 HydrophobicContact CD2-CD 3.62Å; L55-K60 PolarHBondContact O-N 2.64Å; L55-E63 HydrophobicContact CD1-CB 4.31Å; L55-A64 HydrophobicContact CB-CB 3.98Å; L55-L67 HydrophobicContact CD1-CD1 3.59Å
56	Q	87.3	Confident	87.5	Confident	16 Å²	16	42.7 Å²	42.7	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-48.8	175.8	178.6	63.5	10.4	0	0	110.9	A52 I53 T58 G59 A64 L88 E91 M92	A52-Q56 WeakPolarHBondContact O-CB 3.43Å; A52-Q56 PolarHBondContact O-N 3.19Å; I53-Q56 PolarHBondContact O-N 2.84Å; Q56-T58 PolarHBondContact O-N 3.3Å; Q56-G59 PolarHBondContact O-N 2.94Å; Q56-A64 HydrophobicContact CB-CB 4Å; Q56-L88 HydrophobicContact CB-CD1 3.98Å; Q56-L88 HydrophobicContact CG-CD1 4.3Å; Q56-E91 HydrophobicContact CG-CB 4.45Å; Q56-E91 PolarHBondContact NE2-O 3.38Å; Q56-M92 HydrophobicContact CG-CG 4.09Å
57	R	84.1	Confident	87.8	Confident	97 Å²	97	44.3 Å²	44.3	37%	0.366	23%	0.232	S	C	.	.	H	α-helix	trans	-70.2	-11.8	179	-65.6	178.1	179.5	-173.1	-0.2	114.2	L22 N27 I53 L55 E91	L22-R57 PolarHBondContact O-NH1 3.27Å; N27-R57 HydrophobicContact CB-CB 4.49Å; N27-R57 WeakPolarHBondContact ND2-CB 3.28Å; N27-R57 WeakPolarHBondContact OD1-CD 3.43Å; I53-R57 HydrophobicContact CG2-CG 4.49Å; I53-R57 WeakPolarHBondContact O-CG 3.25Å; I53-R57 PolarHBondContact O-N 3.11Å; L55-R57 VanDerWaalsContact C-N 3.34Å; L55-R57 PolarHBondContact O-N 3.35Å; R57-E91 WeakPolarHBondContact CG-OE2 3.44Å; R57-E91 IonicContact CZ-OE1 3.21Å; R57-E91 IonicContact CZ-OE2 3.89Å; R57-E91 IonicContact NE-OE1 3.15Å; R57-E91 PolarHBondContact NE-OE1 2.89Å; R57-E91 IonicContact NE-OE2 3.58Å; R57-E91 PolarHBondContact NE-OE2 2.94Å; R57-E91 IonicContact NH2-OE1 2.61Å; R57-E91 PolarHBondContact NH2-OE1 3.03Å; R57-E91 IonicContact NH2-OE2 2.86Å
58	T	83.9	Confident	87.9	Confident	56 Å²	56	44.3 Å²	44.3	34%	0.344	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.7	171.9	58.3	0	0	0	0	113.6	N27 I31 G54 L55 Q56	N27-T58 HydrophobicContact CB-CG2 3.71Å; I31-T58 HydrophobicContact CD1-CG2 4.29Å; G54-T58 WeakPolarHBondContact O-CG2 3.39Å; G54-T58 PolarHBondContact O-N 3.5Å; G54-T58 PolarHBondContact O-OG1 3.37Å; L55-T58 WeakPolarHBondContact CA-OG1 3.43Å; L55-T58 CarbonylContact O-C 3.58Å; L55-T58 PolarHBondContact O-N 2.81Å; L55-T58 PolarHBondContact O-OG1 3.43Å; Q56-T58 PolarHBondContact O-N 3.3Å
59	G	77.2	Confident	87.9	Confident	58 Å²	58	47 Å²	47	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	5.1	177.6	0	0	0	0	0	115.2	L55 Q56 Q61	L55-G59 PolarHBondContact O-N 3.46Å; Q56-G59 PolarHBondContact O-N 2.94Å; G59-Q61 PolarHBondContact O-N 3.43Å
60	K	84.2	Confident	87.9	Confident	96 Å²	96	51.3 Å²	51.3	42%	0.417	27%	0.266	S	S	.	.			trans	-93.2	66.6	179.8	-66.4	179.4	155.9	-133.8	0	111.5	L55 E63 A64	L55-K60 HydrophobicContact CB-CB 4.32Å; L55-K60 HydrophobicContact CD2-CB 4.33Å; L55-K60 HydrophobicContact CD2-CD 3.62Å; L55-K60 PolarHBondContact O-N 2.64Å; K60-E63 HydrophobicContact CB-CB 4.41Å; K60-E63 IonicContact NZ-OE1 2.7Å; K60-E63 PolarHBondContact NZ-OE1 3.32Å; K60-E63 IonicContact NZ-OE2 3Å; K60-E63 PolarHBondContact NZ-OE2 3.12Å; K60-A64 WeakPolarHBondContact O-CB 3.44Å; K60-A64 PolarHBondContact O-N 3Å; K60-A64 VanDerWaalsContact O-N 3.12Å
61	Q	84.9	Confident	87.8	Confident	112 Å²	112	51.2 Å²	51.2	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-41.7	-170	-57.4	-159.6	-20	0	0	113.3	G59 E63 A64 F65	G59-Q61 PolarHBondContact O-N 3.43Å; Q61-E63 PolarHBondContact O-N 3.33Å; Q61-A64 WeakPolarHBondContact O-CB 3.44Å; Q61-A64 PolarHBondContact O-N 2.71Å; Q61-F65 WeakPolarHBondContact O-CB 3.48Å; Q61-F65 PolarHBondContact O-N 2.99Å
62	D	84	Confident	87.7	Confident	138 Å²	138	50.4 Å²	50.4	74%	0.738	27%	0.267	S	S	*	.	H	α-helix	trans	-64.3	-43.5	-178.6	-62.7	-31.2	0	0	0	112.7	A64 F65 S66	D62-A64 VanDerWaalsContact C-N 3.34Å; D62-F65 PolarHBondContact O-N 2.99Å; D62-S66 WeakPolarHBondContact O-CB 3.34Å; D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 3.29Å
63	E	88.3	Confident	87.6	Confident	96 Å²	96	55.9 Å²	55.9	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-42.5	175.5	-69.2	-178	-142.6	0	0	110.6	L55 K60 Q61 L67	L55-E63 HydrophobicContact CD1-CB 4.31Å; K60-E63 HydrophobicContact CB-CB 4.41Å; K60-E63 IonicContact NZ-OE1 2.7Å; K60-E63 PolarHBondContact NZ-OE1 3.32Å; K60-E63 IonicContact NZ-OE2 3Å; K60-E63 PolarHBondContact NZ-OE2 3.12Å; Q61-E63 PolarHBondContact O-N 3.33Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 3.44Å
64	A	89.9	Confident	87.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-45.1	177.4	0	0	0	0	0	111.9	A52 L55 Q56 K60 Q61 D62 S66 L67 A68	A52-A64 HydrophobicContact CB-CB 4.38Å; A52-A64 VanDerWaalsContact O-CB 3.3Å; A52-A64 WeakPolarHBondContact O-CB 3.45Å; L55-A64 HydrophobicContact CB-CB 3.98Å; Q56-A64 HydrophobicContact CB-CB 4Å; K60-A64 WeakPolarHBondContact O-CB 3.44Å; K60-A64 PolarHBondContact O-N 3Å; K60-A64 VanDerWaalsContact O-N 3.12Å; Q61-A64 WeakPolarHBondContact O-CB 3.44Å; Q61-A64 PolarHBondContact O-N 2.71Å; D62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.43Å; A64-L67 PolarHBondContact O-N 2.93Å; A64-A68 PolarHBondContact O-N 3.43Å
65	F	89.4	Confident	87.6	Confident	57 Å²	57	64.3 Å²	64.3	25%	0.25	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-43.8	179.2	-164.8	-125.9	0	0	0	112	Q61 D62 L67 A68 Q69 Y89 M92 L97	Q61-F65 WeakPolarHBondContact O-CB 3.48Å; Q61-F65 PolarHBondContact O-N 2.99Å; D62-F65 PolarHBondContact O-N 2.99Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.59Å; F65-A68 WeakPolarHBondContact O-CB 3.42Å; F65-A68 PolarHBondContact O-N 2.95Å; F65-A68 VanDerWaalsContact O-N 3.14Å; F65-Q69 HydrophobicContact CD1-CG 4.41Å; F65-Q69 HydrophobicContact CE1-CG 4.22Å; F65-Q69 HydrophobicContact CZ-CG 4.27Å; F65-Q69 VanDerWaalsContact CZ-NE2 3.26Å; F65-Q69 WeakPolarHBondContact O-CG 3.46Å; F65-Q69 PolarHBondContact O-N 3.06Å; F65-Y89 HydrophobicContact CE2-CE1 4.46Å; F65-M92 HydrophobicContact CB-CE 3.61Å; F65-M92 HydrophobicContact CD2-CE 3.36Å; F65-M92 HydrophobicContact CD2-SD 4.08Å; F65-M92 HydrophobicContact CE2-CE 4.34Å; F65-M92 HydrophobicContact CG-CE 3.85Å; F65-L97 HydrophobicContact CE2-CD1 3.79Å; F65-L97 HydrophobicContact CZ-CD1 4.25Å
66	S	91.7	Very high	87.5	Confident	71 Å²	71	64.1 Å²	64.1	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-44.5	179.2	-60.3	0	0	0	0	111.4	D62 A64 Q69 E70	D62-S66 WeakPolarHBondContact O-CB 3.34Å; D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 3.29Å; A64-S66 PolarHBondContact O-N 3.43Å; S66-Q69 PolarHBondContact O-N 3.48Å; S66-E70 PolarHBondContact O-N 2.66Å
67	L	90.5	Very high	87.4	Confident	34 Å²	34	66.1 Å²	66.1	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-38	175.3	-72	172.8	0	0	0	112.5	K51 A52 L55 E63 A64 F65 E70 V71	K51-L67 HydrophobicContact CD-CD1 4.27Å; K51-L67 HydrophobicContact CG-CD1 4.41Å; A52-L67 HydrophobicContact CB-CB 3.96Å; A52-L67 HydrophobicContact CB-CD1 4.4Å; L55-L67 HydrophobicContact CD1-CD1 3.59Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 3.44Å; A64-L67 PolarHBondContact O-N 2.93Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.59Å; L67-E70 PolarHBondContact O-N 3.04Å; L67-V71 WeakPolarHBondContact O-CG2 3.4Å; L67-V71 PolarHBondContact O-N 3.47Å
68	A	91.1	Very high	87.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-45.3	176.2	0	0	0	0	0	111.5	A64 F65 V71 A72 L85 L88 Y89	A64-A68 PolarHBondContact O-N 3.43Å; F65-A68 WeakPolarHBondContact O-CB 3.42Å; F65-A68 PolarHBondContact O-N 2.95Å; F65-A68 VanDerWaalsContact O-N 3.14Å; A68-V71 PolarHBondContact O-N 2.9Å; A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.45Å; A68-L85 HydrophobicContact CB-CD2 4.35Å; A68-L88 HydrophobicContact CB-CD2 3.52Å; A68-L88 HydrophobicContact CB-CG 4.48Å; A68-Y89 HydrophobicContact CB-CE1 3.92Å
69	Q	89.9	Confident	87.4	Confident	96 Å²	96	65.4 Å²	65.4	45%	0.449	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-40.5	178.4	-74.4	-170	-15	0	0	112.6	F65 S66 V71 A72 T73	F65-Q69 HydrophobicContact CD1-CG 4.41Å; F65-Q69 HydrophobicContact CE1-CG 4.22Å; F65-Q69 HydrophobicContact CZ-CG 4.27Å; F65-Q69 VanDerWaalsContact CZ-NE2 3.26Å; F65-Q69 WeakPolarHBondContact O-CG 3.46Å; F65-Q69 PolarHBondContact O-N 3.06Å; S66-Q69 PolarHBondContact O-N 3.48Å; Q69-V71 VanDerWaalsContact C-N 3.29Å; Q69-V71 PolarHBondContact O-N 2.82Å; Q69-A72 PolarHBondContact O-N 3.12Å; Q69-T73 WeakPolarHBondContact O-CB 3.4Å; Q69-T73 PolarHBondContact O-N 2.88Å; Q69-T73 PolarHBondContact O-OG1 3.3Å
70	E	90.3	Very high	87.9	Confident	91 Å²	91	64.8 Å²	64.8	43%	0.425	34%	0.339	S	S	.	.	H	α-helix	trans	-55	-47.7	175.5	-172	-166	147.6	0	0	110.6	K48 S66 L67	K48-E70 IonicContact NZ-OE1 3.6Å; K48-E70 PolarHBondContact NZ-OE1 3.07Å; S66-E70 PolarHBondContact O-N 2.66Å; L67-E70 PolarHBondContact O-N 3.04Å
71	V	89.3	Confident	88.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.7	-41.9	179.9	-179	0	0	0	0	111.8	H45 K48 V49 L67 A68 Q69 T73 L74 L85	H45-V71 HydrophobicContact CB-CG1 3.83Å; K48-V71 HydrophobicContact CB-CG2 3.81Å; K48-V71 HydrophobicContact CD-CG2 4.07Å; V49-V71 HydrophobicContact CG2-CB 4.01Å; V49-V71 HydrophobicContact CG2-CG1 3.74Å; V49-V71 HydrophobicContact CG2-CG2 3.98Å; L67-V71 WeakPolarHBondContact O-CG2 3.4Å; L67-V71 PolarHBondContact O-N 3.47Å; A68-V71 PolarHBondContact O-N 2.9Å; Q69-V71 VanDerWaalsContact C-N 3.29Å; Q69-V71 PolarHBondContact O-N 2.82Å; V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 PolarHBondContact O-N 3.37Å; V71-L74 WeakPolarHBondContact O-CB 3.4Å; V71-L74 PolarHBondContact O-N 2.94Å; V71-L74 VanDerWaalsContact O-N 3.13Å; V71-L85 HydrophobicContact CG1-CD1 4.18Å
72	A	88.9	Confident	88.3	Confident	27 Å²	27	55 Å²	55	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-33.8	-179.5	0	0	0	0	0	112.8	A68 Q69 L74 E75 Y89	A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.45Å; Q69-A72 PolarHBondContact O-N 3.12Å; A72-L74 PolarHBondContact O-N 3.11Å; A72-E75 PolarHBondContact O-N 2.93Å; A72-Y89 WeakPolarHBondContact CB-OH 3.28Å
73	T	89.9	Confident	88.5	Confident	115 Å²	115	52 Å²	52	71%	0.706	28%	0.277	S	S	*	.	H	α-helix	trans	-64.5	-24.6	177.3	-53.6	0	0	0	0	112.6	Q69 V71 E75	Q69-T73 WeakPolarHBondContact O-CB 3.4Å; Q69-T73 PolarHBondContact O-N 2.88Å; Q69-T73 PolarHBondContact O-OG1 3.3Å; V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 PolarHBondContact O-N 3.37Å; T73-E75 PolarHBondContact O-N 3.47Å
74	L	88.1	Confident	88.6	Confident	89 Å²	89	47.5 Å²	47.5	47%	0.466	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.8	175.9	-57.6	173.1	0	0	0	112.6	H45 V71 A72	H45-L74 VanDerWaalsContact NE2-CD1 3.34Å; H45-L74 WeakPolarHBondContact NE2-CD1 3.48Å; V71-L74 WeakPolarHBondContact O-CB 3.4Å; V71-L74 PolarHBondContact O-N 2.94Å; V71-L74 VanDerWaalsContact O-N 3.13Å; A72-L74 PolarHBondContact O-N 3.11Å
75	E	87.7	Confident	88.6	Confident	92 Å²	92	47.5 Å²	47.5	43%	0.43	26%	0.256	S	S	.	.			trans	48.5	64.3	179.6	-66.9	-177.9	160.9	0	0	111.9	A72 T73 A104 K108	A72-E75 PolarHBondContact O-N 2.93Å; T73-E75 PolarHBondContact O-N 3.47Å; E75-A104 HydrophobicContact CB-CB 4.34Å; E75-A104 HydrophobicContact CG-CB 4.01Å; E75-K108 PolarHBondContact O-NZ 3.47Å; E75-K108 WeakPolarHBondContact OE2-CE 3.32Å; E75-K108 IonicContact OE2-NZ 3.42Å; E75-K108 PolarHBondContact OE2-NZ 2.87Å
76	P	86.6	Confident	88.6	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.039	25%	0.246	C	C	.	.			trans	-61.8	146.6	-176.7	26.8	-34.4	0	0	0	111.2	L82 L85 L101	P76-L82 HydrophobicContact CG-CD2 4.33Å; P76-L82 WeakPolarHBondContact O-CD2 3.37Å; P76-L85 HydrophobicContact CG-CD1 3.97Å; P76-L101 HydrophobicContact CG-CD1 4.29Å
77	T	85.1	Confident	88.3	Confident	57 Å²	57	44.2 Å²	44.2	35%	0.35	24%	0.235	S	C	.	.			trans	-119.6	6.6	176.3	59	0	0	0	0	112.4	K108 Y115	T77-K108 HydrophobicContact CG2-CB 3.9Å; T77-K108 HydrophobicContact CG2-CD 3.49Å; T77-K108 VanDerWaalsContact CG2-CD 3.49Å; T77-K108 HydrophobicContact CG2-CG 4.31Å; T77-Y115 PolarHBondContact O-OH 3.48Å
78	D	86.1	Confident	88.3	Confident	63 Å²	63	42.6 Å²	42.6	34%	0.337	23%	0.226	S	C	.	.			trans	-89.5	134.4	174.6	66.1	-73.6	0	0	0	110.7	N80 S81 L82	D78-N80 VanDerWaalsContact C-N 3.31Å; D78-N80 PolarHBondContact O-N 3.3Å; D78-S81 VanDerWaalsContact CG-OG 3.23Å; D78-S81 PolarHBondContact O-N 3.48Å; D78-S81 WeakPolarHBondContact OD1-CB 3.47Å; D78-S81 PolarHBondContact OD1-OG 3.46Å; D78-S81 WeakPolarHBondContact OD2-CB 3.24Å; D78-S81 PolarHBondContact OD2-N 3.33Å; D78-S81 PolarHBondContact OD2-OG 3.14Å; D78-L82 WeakPolarHBondContact O-CG 3.33Å; D78-L82 PolarHBondContact O-N 3.32Å; D78-L82 VanDerWaalsContact O-N 3.1Å
79	D	83.5	Confident	88.2	Confident	75 Å²	75	43 Å²	43	40%	0.401	23%	0.228	S	C	.	.	H	α-helix	trans	-58.2	-41.4	-173.9	-174.4	58	0	0	0	112.7	S81 L82 Q83	D79-S81 PolarHBondContact O-N 3.05Å; D79-L82 PolarHBondContact O-N 3.34Å; D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.46Å; D79-Q83 PolarHBondContact O-N 3.37Å
80	N	86.1	Confident	87.9	Confident	46 Å²	46	41 Å²	41	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-44.5	178.7	-78.7	-33.8	0	0	0	113.2	D12 C46 D78 A84	D12-N80 PolarHBondContact OD1-ND2 2.87Å; C46-N80 HydrophobicContact CB-CB 4.28Å; D78-N80 VanDerWaalsContact C-N 3.31Å; D78-N80 PolarHBondContact O-N 3.3Å; N80-A84 VanDerWaalsContact O-CB 3.25Å; N80-A84 WeakPolarHBondContact O-CB 3.48Å; N80-A84 PolarHBondContact O-N 3.39Å; N80-A84 VanDerWaalsContact O-N 3.1Å
81	S	88.1	Confident	87.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-72.7	-39.2	177.6	-59.5	0	0	0	0	111.9	H45 C46 D78 D79 A84 L85	H45-S81 WeakPolarHBondContact CB-OG 3.43Å; C46-S81 WeakPolarHBondContact CA-OG 3.39Å; C46-S81 WeakPolarHBondContact CB-OG 3.47Å; C46-S81 PolarHBondContact N-OG 3.44Å; D78-S81 VanDerWaalsContact CG-OG 3.23Å; D78-S81 PolarHBondContact O-N 3.48Å; D78-S81 WeakPolarHBondContact OD1-CB 3.47Å; D78-S81 PolarHBondContact OD1-OG 3.46Å; D78-S81 WeakPolarHBondContact OD2-CB 3.24Å; D78-S81 PolarHBondContact OD2-N 3.33Å; D78-S81 PolarHBondContact OD2-OG 3.14Å; D79-S81 PolarHBondContact O-N 3.05Å; S81-A84 PolarHBondContact O-N 3.28Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 WeakPolarHBondContact O-CG 3.03Å; S81-L85 PolarHBondContact O-N 2.93Å
82	L	89.9	Confident	87.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-45.4	177.4	-70.9	174.4	0	0	0	111.9	P76 D78 D79 L85 T86 L101 Y102 A105 Y115	P76-L82 HydrophobicContact CG-CD2 4.33Å; P76-L82 WeakPolarHBondContact O-CD2 3.37Å; D78-L82 WeakPolarHBondContact O-CG 3.33Å; D78-L82 PolarHBondContact O-N 3.32Å; D78-L82 VanDerWaalsContact O-N 3.1Å; D79-L82 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-T86 WeakPolarHBondContact O-CB 3.43Å; L82-T86 PolarHBondContact O-N 2.74Å; L82-T86 PolarHBondContact O-OG1 3.32Å; L82-L101 HydrophobicContact CD2-CD1 3.63Å; L82-L101 HydrophobicContact CD2-CD2 3.85Å; L82-L101 HydrophobicContact CD2-CG 3.49Å; L82-L101 VanDerWaalsContact CD2-CG 3.49Å; L82-Y102 HydrophobicContact CB-CE1 4.33Å; L82-Y102 HydrophobicContact CD1-CE1 4.2Å; L82-A105 HydrophobicContact CD1-CB 4.11Å; L82-A105 HydrophobicContact CD2-CB 4.44Å; L82-Y115 HydrophobicContact CD1-CE1 4.07Å
83	Q	89	Confident	86.7	Confident	77 Å²	77	43.9 Å²	43.9	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-69.3	-40.8	179.2	-172.2	63.1	5.3	0	0	111.6	D79 T86 I87	D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.46Å; D79-Q83 PolarHBondContact O-N 3.37Å; Q83-T86 WeakPolarHBondContact O-CB 3.36Å; Q83-T86 PolarHBondContact O-N 3.12Å; Q83-I87 WeakPolarHBondContact O-CG1 3.35Å; Q83-I87 PolarHBondContact O-N 2.85Å
84	A	88.6	Confident	86.5	Confident	1 Å²	1	42 Å²	42	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.4	0	0	0	0	0	111.9	V49 L50 N80 S81 T86 I87 L88	V49-A84 HydrophobicContact CB-CB 4.03Å; V49-A84 VanDerWaalsContact CG1-C 3.46Å; V49-A84 HydrophobicContact CG1-CB 3.66Å; L50-A84 HydrophobicContact CD2-CB 4.25Å; N80-A84 VanDerWaalsContact O-CB 3.25Å; N80-A84 WeakPolarHBondContact O-CB 3.48Å; N80-A84 PolarHBondContact O-N 3.39Å; N80-A84 VanDerWaalsContact O-N 3.1Å; S81-A84 PolarHBondContact O-N 3.28Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 2.66Å; A84-I87 PolarHBondContact O-N 2.87Å; A84-L88 PolarHBondContact O-N 2.9Å
85	L	90.6	Very high	86.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-38.8	175.9	-80.6	170.1	0	0	0	111.4	V49 A68 V71 P76 S81 L82 I87 L88 Y89 L101	V49-L85 HydrophobicContact CG1-CB 4.47Å; V49-L85 HydrophobicContact CG1-CD2 3.87Å; V49-L85 HydrophobicContact CG1-CG 3.97Å; V49-L85 HydrophobicContact CG2-CD2 3.77Å; V49-L85 HydrophobicContact CG2-CG 3.8Å; A68-L85 HydrophobicContact CB-CD2 4.35Å; V71-L85 HydrophobicContact CG1-CD1 4.18Å; P76-L85 HydrophobicContact CG-CD1 3.97Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 WeakPolarHBondContact O-CG 3.03Å; S81-L85 PolarHBondContact O-N 2.93Å; L82-L85 PolarHBondContact O-N 3.06Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-I87 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.19Å; L85-Y89 HydrophobicContact CB-CE2 4.41Å; L85-Y89 HydrophobicContact CD2-CE2 4.3Å; L85-Y89 WeakPolarHBondContact O-CD2 3.26Å; L85-Y89 PolarHBondContact O-N 2.93Å; L85-L101 HydrophobicContact CB-CD2 3.63Å; L85-L101 HydrophobicContact CD1-CD1 3.71Å; L85-L101 HydrophobicContact CD1-CD2 4.09Å
86	T	88.8	Confident	86.5	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-42.9	175	-63.2	0	0	0	0	111.5	L82 Q83 A84 R90 V98 Y102	L82-T86 WeakPolarHBondContact O-CB 3.43Å; L82-T86 PolarHBondContact O-N 2.74Å; L82-T86 PolarHBondContact O-OG1 3.32Å; Q83-T86 WeakPolarHBondContact O-CB 3.36Å; Q83-T86 PolarHBondContact O-N 3.12Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 2.66Å; T86-R90 WeakPolarHBondContact O-CB 3.33Å; T86-R90 WeakPolarHBondContact O-CD 3.29Å; T86-R90 WeakPolarHBondContact O-CG 3.43Å; T86-R90 PolarHBondContact O-N 3.41Å; T86-R90 VanDerWaalsContact O-N 3.14Å; T86-V98 HydrophobicContact CG2-CG1 3.85Å; T86-V98 HydrophobicContact CG2-CG2 4.31Å; T86-Y102 WeakPolarHBondContact OG1-CE2 3.38Å
87	I	87.3	Confident	86.7	Confident	53 Å²	53	39.8 Å²	39.8	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-47	175.4	-67	166.5	0	0	0	110.5	I53 Q83 A84 L85 R90 E91	I53-I87 HydrophobicContact CD1-CB 4.27Å; I53-I87 HydrophobicContact CD1-CG2 4.01Å; Q83-I87 WeakPolarHBondContact O-CG1 3.35Å; Q83-I87 PolarHBondContact O-N 2.85Å; A84-I87 PolarHBondContact O-N 2.87Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-I87 PolarHBondContact O-N 3.45Å; I87-R90 PolarHBondContact O-N 3.25Å; I87-E91 PolarHBondContact O-N 3.36Å
88	L	89.6	Confident	87	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-54.5	-179.5	179.6	57	0	0	0	111.8	V49 A52 I53 Q56 A68 A84 L85 R90 E91 M92	V49-L88 HydrophobicContact CG1-CB 4.4Å; V49-L88 HydrophobicContact CG1-CD2 4.12Å; A52-L88 HydrophobicContact CB-CD2 3.57Å; I53-L88 HydrophobicContact CD1-CB 4.43Å; I53-L88 HydrophobicContact CG1-CB 3.83Å; I53-L88 HydrophobicContact CG1-CD1 3.99Å; I53-L88 HydrophobicContact CG1-CG 4.37Å; Q56-L88 HydrophobicContact CB-CD1 3.98Å; Q56-L88 HydrophobicContact CG-CD1 4.3Å; A68-L88 HydrophobicContact CB-CD2 3.52Å; A68-L88 HydrophobicContact CB-CG 4.48Å; A84-L88 PolarHBondContact O-N 2.9Å; L85-L88 PolarHBondContact O-N 3.19Å; L88-R90 PolarHBondContact O-N 2.94Å; L88-E91 CarbonylContact O-C 3.55Å; L88-E91 PolarHBondContact O-N 3.44Å; L88-M92 HydrophobicContact CD1-CG 4.03Å; L88-M92 HydrophobicContact CD1-SD 3.81Å; L88-M92 HydrophobicContact CG-CG 4.41Å; L88-M92 HydrophobicContact CG-SD 3.83Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.3Å; L88-M92 PolarHBondContact O-N 3Å
89	Y	89.6	Confident	87.3	Confident	8 Å²	8	34.7 Å²	34.7	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-30.6	179.9	-70.3	-38.1	0	0	0	113.1	F65 A68 A72 L85 M92 H93 H94 L97 V98	F65-Y89 HydrophobicContact CE2-CE1 4.46Å; A68-Y89 HydrophobicContact CB-CE1 3.92Å; A72-Y89 WeakPolarHBondContact CB-OH 3.28Å; L85-Y89 HydrophobicContact CB-CE2 4.41Å; L85-Y89 HydrophobicContact CD2-CE2 4.3Å; L85-Y89 WeakPolarHBondContact O-CD2 3.26Å; L85-Y89 PolarHBondContact O-N 2.93Å; Y89-M92 HydrophobicContact CD1-SD 4.49Å; Y89-M92 PolarHBondContact O-N 3.18Å; Y89-H93 PolarHBondContact O-N 3.3Å; Y89-H94 CarbonylContact O-C 3.52Å; Y89-H94 PolarHBondContact O-N 2.92Å; Y89-L97 HydrophobicContact CD1-CB 4.06Å; Y89-L97 HydrophobicContact CD1-CD1 3.68Å; Y89-L97 HydrophobicContact CD2-CB 3.69Å; Y89-L97 HydrophobicContact CE1-CB 4.14Å; Y89-L97 HydrophobicContact CE1-CD1 3.49Å; Y89-L97 VanDerWaalsContact CE1-CD1 3.49Å; Y89-L97 HydrophobicContact CE1-CG 4.47Å; Y89-L97 HydrophobicContact CE2-CB 3.75Å; Y89-L97 HydrophobicContact CG-CB 3.85Å; Y89-L97 HydrophobicContact CG-CD1 4.33Å; Y89-V98 HydrophobicContact CD2-CG2 4.3Å
90	R	83.1	Confident	87.7	Confident	53 Å²	53	37.4 Å²	37.4	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-41.4	171.5	-73.1	174.4	68.4	-167.5	2.2	112.7	T86 I87 L88 M92 H93 E580	T86-R90 WeakPolarHBondContact O-CB 3.33Å; T86-R90 WeakPolarHBondContact O-CD 3.29Å; T86-R90 WeakPolarHBondContact O-CG 3.43Å; T86-R90 PolarHBondContact O-N 3.41Å; T86-R90 VanDerWaalsContact O-N 3.14Å; I87-R90 PolarHBondContact O-N 3.25Å; L88-R90 PolarHBondContact O-N 2.94Å; R90-M92 PolarHBondContact O-N 3.4Å; R90-H93 PolarHBondContact O-N 3.04Å; R90-E580 IonicContact CZ-OE1 2.74Å; R90-E580 IonicContact NE-OE1 2.68Å; R90-E580 IonicContact NH1-OE1 3.99Å; R90-E580 PolarHBondContact NH1-OE1 3.28Å; R90-E580 VanDerWaalsContact NH2-CD 3.31Å; R90-E580 VanDerWaalsContact NH2-CG 3.26Å; R90-E580 IonicContact NH2-OE1 2.89Å; R90-E580 PolarHBondContact NH2-OE1 2.86Å
91	E	82.6	Confident	88	Confident	42 Å²	42	35.7 Å²	35.7	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-19.9	175.1	-72.7	-174.8	-170.6	0	0	112.9	Q56 R57 I87 L88	Q56-E91 HydrophobicContact CG-CB 4.45Å; Q56-E91 PolarHBondContact NE2-O 3.38Å; R57-E91 WeakPolarHBondContact CG-OE2 3.44Å; R57-E91 IonicContact CZ-OE1 3.21Å; R57-E91 IonicContact CZ-OE2 3.89Å; R57-E91 IonicContact NE-OE1 3.15Å; R57-E91 PolarHBondContact NE-OE1 2.89Å; R57-E91 IonicContact NE-OE2 3.58Å; R57-E91 PolarHBondContact NE-OE2 2.94Å; R57-E91 IonicContact NH2-OE1 2.61Å; R57-E91 PolarHBondContact NH2-OE1 3.03Å; R57-E91 IonicContact NH2-OE2 2.86Å; I87-E91 PolarHBondContact O-N 3.36Å; L88-E91 CarbonylContact O-C 3.55Å; L88-E91 PolarHBondContact O-N 3.44Å
92	M	82.5	Confident	88.3	Confident	19 Å²	19	35.9 Å²	35.9	9%	0.094	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.3	174.7	-61.7	-178.1	75.2	0	0	113.5	Q56 F65 L88 Y89 R90 H94	Q56-M92 HydrophobicContact CG-CG 4.09Å; F65-M92 HydrophobicContact CB-CE 3.61Å; F65-M92 HydrophobicContact CD2-CE 3.36Å; F65-M92 HydrophobicContact CD2-SD 4.08Å; F65-M92 HydrophobicContact CE2-CE 4.34Å; F65-M92 HydrophobicContact CG-CE 3.85Å; L88-M92 HydrophobicContact CD1-CG 4.03Å; L88-M92 HydrophobicContact CD1-SD 3.81Å; L88-M92 HydrophobicContact CG-CG 4.41Å; L88-M92 HydrophobicContact CG-SD 3.83Å; L88-M92 VanDerWaalsContact O-CG 3.23Å; L88-M92 WeakPolarHBondContact O-CG 3.3Å; L88-M92 PolarHBondContact O-N 3Å; Y89-M92 HydrophobicContact CD1-SD 4.49Å; Y89-M92 PolarHBondContact O-N 3.18Å; R90-M92 PolarHBondContact O-N 3.4Å; M92-H94 PolarHBondContact O-CD2 3.05Å; M92-H94 PolarHBondContact O-N 3.46Å
93	H	78.9	Confident	88.5	Confident	119 Å²	119	37.9 Å²	37.9	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	30.1	-174.5	-58.7	-88	0	0	0	114.5	Y89 R90 P95	Y89-H93 PolarHBondContact O-N 3.3Å; R90-H93 PolarHBondContact O-N 3.04Å; H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.38Å
94	H	85.2	Confident	88.7	Confident	74 Å²	74	34.9 Å²	34.9	34%	0.343	17%	0.167	S	C	.	.			trans	-117	58.3	177.3	-74.2	-69.5	0	0	0	112.9	Y89 M92 E96 L97	Y89-H94 CarbonylContact O-C 3.52Å; Y89-H94 PolarHBondContact O-N 2.92Å; M92-H94 PolarHBondContact O-CD2 3.05Å; M92-H94 PolarHBondContact O-N 3.46Å; H94-E96 VanDerWaalsContact CA-OE2 3.26Å; H94-E96 WeakPolarHBondContact CA-OE2 3.46Å; H94-E96 WeakPolarHBondContact CB-OE1 3.49Å; H94-E96 IonicContact CE1-OE1 3.8Å; H94-E96 IonicContact CG-OE1 2.72Å; H94-E96 IonicContact ND1-OE1 2.8Å; H94-E96 PolarHBondContact ND1-OE1 3.27Å; H94-E96 PolarHBondContact O-N 3.47Å; H94-L97 HydrophobicContact CB-CD1 3.95Å; H94-L97 HydrophobicContact CB-CG 4.24Å; H94-L97 PolarHBondContact O-N 3.42Å
95	P	85.6	Confident	88.8	Confident	39 Å²	39	34.9 Å²	34.9	25%	0.253	17%	0.167	S	C	.	.	H	α-helix	trans	-63.4	-21.3	-176.7	29.6	-36.9	0	0	0	113.7	H93 L97 V98 R125 V126	H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-L97 PolarHBondContact O-N 3.13Å; P95-V98 VanDerWaalsContact O-CB 3.3Å; P95-V98 WeakPolarHBondContact O-CB 3.4Å; P95-V98 PolarHBondContact O-N 3.32Å; P95-V98 VanDerWaalsContact O-N 3.14Å; P95-R125 HydrophobicContact CB-CG 4.4Å; P95-V126 HydrophobicContact CB-CG2 4.07Å; P95-V126 HydrophobicContact CG-CG2 4.47Å; P95-V126 WeakPolarHBondContact O-CG2 3.32Å
96	E	89.1	Confident	89	Confident	70 Å²	70	35.7 Å²	35.7	33%	0.327	17%	0.172	S	C	.	.	H	α-helix	trans	-59.8	-32.2	175.5	69.4	-73.5	173.5	0	0	112.6	H94 V98 T99	H94-E96 VanDerWaalsContact CA-OE2 3.26Å; H94-E96 WeakPolarHBondContact CA-OE2 3.46Å; H94-E96 WeakPolarHBondContact CB-OE1 3.49Å; H94-E96 IonicContact CE1-OE1 3.8Å; H94-E96 IonicContact CG-OE1 2.72Å; H94-E96 IonicContact ND1-OE1 2.8Å; H94-E96 PolarHBondContact ND1-OE1 3.27Å; H94-E96 PolarHBondContact O-N 3.47Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 2.92Å; E96-T99 PolarHBondContact O-N 3.04Å; E96-T99 PolarHBondContact O-OG1 3.06Å
97	L	91.1	Very high	89.2	Confident	33 Å²	33	43.2 Å²	43.2	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-26.7	178.7	-61	-179.5	0	0	0	112.2	F65 Y89 H94 P95 T99 K100 L101	F65-L97 HydrophobicContact CE2-CD1 3.79Å; F65-L97 HydrophobicContact CZ-CD1 4.25Å; Y89-L97 HydrophobicContact CD1-CB 4.06Å; Y89-L97 HydrophobicContact CD1-CD1 3.68Å; Y89-L97 HydrophobicContact CD2-CB 3.69Å; Y89-L97 HydrophobicContact CE1-CB 4.14Å; Y89-L97 HydrophobicContact CE1-CD1 3.49Å; Y89-L97 VanDerWaalsContact CE1-CD1 3.49Å; Y89-L97 HydrophobicContact CE1-CG 4.47Å; Y89-L97 HydrophobicContact CE2-CB 3.75Å; Y89-L97 HydrophobicContact CG-CB 3.85Å; Y89-L97 HydrophobicContact CG-CD1 4.33Å; H94-L97 HydrophobicContact CB-CD1 3.95Å; H94-L97 HydrophobicContact CB-CG 4.24Å; H94-L97 PolarHBondContact O-N 3.42Å; P95-L97 PolarHBondContact O-N 3.13Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 3.37Å; L97-K100 HydrophobicContact CD2-CD 4.37Å; L97-K100 PolarHBondContact O-N 3.3Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-L101 VanDerWaalsContact O-N 3.12Å
98	V	91.6	Very high	89.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-34.3	174.4	-175.8	0	0	0	0	111	T86 Y89 P95 E96 L101 Y102 A122	T86-V98 HydrophobicContact CG2-CG1 3.85Å; T86-V98 HydrophobicContact CG2-CG2 4.31Å; Y89-V98 HydrophobicContact CD2-CG2 4.3Å; P95-V98 VanDerWaalsContact O-CB 3.3Å; P95-V98 WeakPolarHBondContact O-CB 3.4Å; P95-V98 PolarHBondContact O-N 3.32Å; P95-V98 VanDerWaalsContact O-N 3.14Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 2.92Å; V98-L101 WeakPolarHBondContact O-CB 3.41Å; V98-L101 PolarHBondContact O-N 2.87Å; V98-Y102 HydrophobicContact CG1-CD2 3.9Å; V98-Y102 HydrophobicContact CG1-CE2 3.9Å; V98-Y102 WeakPolarHBondContact O-CD2 3.48Å; V98-Y102 PolarHBondContact O-N 3.07Å; V98-A122 HydrophobicContact CG1-CB 3.97Å
99	T	92.3	Very high	89.5	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-47	177.4	67.9	0	0	0	0	111.2	E96 L97 L101 Y102 E103 A122 Y123 V126	E96-T99 PolarHBondContact O-N 3.04Å; E96-T99 PolarHBondContact O-OG1 3.06Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 3.37Å; T99-L101 VanDerWaalsContact C-N 3.26Å; T99-L101 PolarHBondContact O-N 2.93Å; T99-Y102 PolarHBondContact O-N 3.17Å; T99-E103 WeakPolarHBondContact O-CB 3.35Å; T99-E103 VanDerWaalsContact O-CG 3.29Å; T99-E103 WeakPolarHBondContact O-CG 3.33Å; T99-E103 PolarHBondContact O-N 3.22Å; T99-A122 HydrophobicContact CG2-CB 4.17Å; T99-Y123 HydrophobicContact CG2-CD1 3.79Å; T99-Y123 HydrophobicContact CG2-CE1 4.18Å; T99-V126 HydrophobicContact CG2-CB 4.3Å; T99-V126 HydrophobicContact CG2-CG2 3.7Å
100	K	92.1	Very high	89.5	Confident	132 Å²	132	51.4 Å²	51.4	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-60.7	-37.8	178.4	-62.5	-179	-177.3	174.6	0	111.8	L97 E103 A104	L97-K100 HydrophobicContact CD2-CD 4.37Å; L97-K100 PolarHBondContact O-N 3.3Å; K100-E103 PolarHBondContact O-N 3.31Å; K100-A104 PolarHBondContact O-N 3.26Å; K100-A104 VanDerWaalsContact O-N 3.09Å
101	L	92.9	Very high	89.8	Confident	11 Å²	11	55.7 Å²	55.7	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-52.4	178.1	-176.6	66.6	0	0	0	111.9	P76 L82 L85 L97 V98 T99 A104 A105	P76-L101 HydrophobicContact CG-CD1 4.29Å; L82-L101 HydrophobicContact CD2-CD1 3.63Å; L82-L101 HydrophobicContact CD2-CD2 3.85Å; L82-L101 HydrophobicContact CD2-CG 3.49Å; L82-L101 VanDerWaalsContact CD2-CG 3.49Å; L85-L101 HydrophobicContact CB-CD2 3.63Å; L85-L101 HydrophobicContact CD1-CD1 3.71Å; L85-L101 HydrophobicContact CD1-CD2 4.09Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-L101 VanDerWaalsContact O-N 3.12Å; V98-L101 WeakPolarHBondContact O-CB 3.41Å; V98-L101 PolarHBondContact O-N 2.87Å; T99-L101 VanDerWaalsContact C-N 3.26Å; T99-L101 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 3.16Å; L101-A105 PolarHBondContact O-N 2.86Å; L101-A105 VanDerWaalsContact O-N 3.15Å
102	Y	93.8	Very high	90.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-75.1	-26.7	179.1	-75.4	-73.7	0	0	0	113	L82 T86 V98 T99 A104 A105 V106 H118 A122	L82-Y102 HydrophobicContact CB-CE1 4.33Å; L82-Y102 HydrophobicContact CD1-CE1 4.2Å; T86-Y102 WeakPolarHBondContact OG1-CE2 3.38Å; V98-Y102 HydrophobicContact CG1-CD2 3.9Å; V98-Y102 HydrophobicContact CG1-CE2 3.9Å; V98-Y102 WeakPolarHBondContact O-CD2 3.48Å; V98-Y102 PolarHBondContact O-N 3.07Å; T99-Y102 PolarHBondContact O-N 3.17Å; Y102-A104 VanDerWaalsContact C-N 3.31Å; Y102-A104 PolarHBondContact O-N 3.14Å; Y102-A105 PolarHBondContact O-N 3.14Å; Y102-V106 WeakPolarHBondContact O-CB 3.46Å; Y102-V106 WeakPolarHBondContact O-CG2 3.35Å; Y102-V106 PolarHBondContact O-N 3.36Å; Y102-H118 HydrophobicContact CD1-CB 3.69Å; Y102-H118 HydrophobicContact CD2-CB 4.42Å; Y102-H118 HydrophobicContact CE1-CB 3.41Å; Y102-H118 VanDerWaalsContact CE1-CB 3.41Å; Y102-H118 AromaticContact CE1-CG 3.95Å; Y102-H118 HydrophobicContact CE2-CB 4.18Å; Y102-H118 HydrophobicContact CG-CB 4.19Å; Y102-A122 HydrophobicContact CD2-CB 4.34Å
103	E	93.9	Very high	90.8	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-43.2	169.1	-78	178.1	-179.2	0	0	110.8	T99 K100 K107 L119 Y123 K131	T99-E103 WeakPolarHBondContact O-CB 3.35Å; T99-E103 VanDerWaalsContact O-CG 3.29Å; T99-E103 WeakPolarHBondContact O-CG 3.33Å; T99-E103 PolarHBondContact O-N 3.22Å; K100-E103 PolarHBondContact O-N 3.31Å; E103-K107 VanDerWaalsContact O-CG 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.26Å; E103-K107 PolarHBondContact O-N 3.48Å; E103-K107 VanDerWaalsContact O-N 3.12Å; E103-L119 HydrophobicContact CG-CD1 3.91Å; E103-Y123 WeakPolarHBondContact CG-OH 3.35Å; E103-Y123 PolarHBondContact OE1-OH 3.44Å; E103-K131 IonicContact OE1-NZ 2.64Å; E103-K131 PolarHBondContact OE1-NZ 3.49Å
104	A	92.6	Very high	91.3	Very high	13 Å²	13	57 Å²	57	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-42.9	176.6	0	0	0	0	0	112.3	E75 K100 L101 Y102 V106 K107 K108	E75-A104 HydrophobicContact CB-CB 4.34Å; E75-A104 HydrophobicContact CG-CB 4.01Å; K100-A104 PolarHBondContact O-N 3.26Å; K100-A104 VanDerWaalsContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.16Å; Y102-A104 VanDerWaalsContact C-N 3.31Å; Y102-A104 PolarHBondContact O-N 3.14Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-K107 PolarHBondContact O-N 3.37Å; A104-K108 PolarHBondContact O-N 3.11Å; A104-K108 VanDerWaalsContact O-N 3.16Å
105	A	92.1	Very high	91.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-44.2	177.6	0	0	0	0	0	112.4	L82 L101 Y102 K107 K108 V109 Y115	L82-A105 HydrophobicContact CD1-CB 4.11Å; L82-A105 HydrophobicContact CD2-CB 4.44Å; L101-A105 PolarHBondContact O-N 2.86Å; L101-A105 VanDerWaalsContact O-N 3.15Å; Y102-A105 PolarHBondContact O-N 3.14Å; A105-K107 VanDerWaalsContact C-N 3.35Å; A105-K107 PolarHBondContact O-N 2.69Å; A105-K108 PolarHBondContact O-N 3.05Å; A105-V109 PolarHBondContact O-N 3.14Å; A105-Y115 HydrophobicContact CB-CD2 4.26Å
106	V	93.6	Very high	92	Very high	17 Å²	17	53.7 Å²	53.7	10%	0.103	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-36.6	176.5	167.7	0	0	0	0	111.7	Y102 A104 K108 V109 P110 H116 L119	Y102-V106 WeakPolarHBondContact O-CB 3.46Å; Y102-V106 WeakPolarHBondContact O-CG2 3.35Å; Y102-V106 PolarHBondContact O-N 3.36Å; A104-V106 PolarHBondContact O-N 3.28Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 2.99Å; V106-V109 CarbonylContact O-C 3.32Å; V106-V109 VanDerWaalsContact O-C 3.32Å; V106-V109 PolarHBondContact O-N 3.27Å; V106-P110 WeakPolarHBondContact O-CA 3.42Å; V106-H116 WeakPolarHBondContact CG1-CE1 3.47Å; V106-L119 HydrophobicContact CB-CD2 4.19Å; V106-L119 HydrophobicContact CG1-CD2 4.42Å; V106-L119 HydrophobicContact CG2-CB 4.23Å; V106-L119 HydrophobicContact CG2-CD2 3.82Å
107	K	92.8	Very high	92.2	Very high	164 Å²	164	51.4 Å²	51.4	71%	0.713	26%	0.258	S	S	*	.	H	α-helix	trans	-61.8	-37.7	174.4	-76.3	171.1	-174	173.2	0	112.3	E103 A104 A105	E103-K107 VanDerWaalsContact O-CG 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.26Å; E103-K107 PolarHBondContact O-N 3.48Å; E103-K107 VanDerWaalsContact O-N 3.12Å; A104-K107 PolarHBondContact O-N 3.37Å; A105-K107 VanDerWaalsContact C-N 3.35Å; A105-K107 PolarHBondContact O-N 2.69Å
108	K	92.2	Very high	92.2	Very high	102 Å²	102	53 Å²	53	44%	0.443	26%	0.264	S	S	.	.	H	α-helix	trans	-77.7	-36.7	178.3	-71.2	-175.5	178.6	-179.5	0	113	E75 T77 A104 A105 V106	E75-K108 PolarHBondContact O-NZ 3.47Å; E75-K108 WeakPolarHBondContact OE2-CE 3.32Å; E75-K108 IonicContact OE2-NZ 3.42Å; E75-K108 PolarHBondContact OE2-NZ 2.87Å; T77-K108 HydrophobicContact CG2-CB 3.9Å; T77-K108 HydrophobicContact CG2-CD 3.49Å; T77-K108 VanDerWaalsContact CG2-CD 3.49Å; T77-K108 HydrophobicContact CG2-CG 4.31Å; A104-K108 PolarHBondContact O-N 3.11Å; A104-K108 VanDerWaalsContact O-N 3.16Å; A105-K108 PolarHBondContact O-N 3.05Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 2.99Å
109	V	91.1	Very high	92.4	Very high	58 Å²	58	53.5 Å²	53.5	35%	0.352	27%	0.266	S	S	.	.	S	Bend	trans	-128.7	75.8	-177.7	-168.1	0	0	0	0	110.2	A105 V106 L111 S112 Y115	A105-V109 PolarHBondContact O-N 3.14Å; V106-V109 CarbonylContact O-C 3.32Å; V106-V109 VanDerWaalsContact O-C 3.32Å; V106-V109 PolarHBondContact O-N 3.27Å; V109-L111 VanDerWaalsContact C-N 3.3Å; V109-L111 PolarHBondContact O-N 3.36Å; V109-S112 PolarHBondContact O-N 3.44Å; V109-Y115 HydrophobicContact CB-CD2 4.04Å; V109-Y115 HydrophobicContact CB-CE2 4.05Å; V109-Y115 HydrophobicContact CG1-CE2 4.49Å; V109-Y115 HydrophobicContact CG2-CE2 4.19Å
110	P	89.6	Confident	92.5	Very high	74 Å²	74	53 Å²	53	48%	0.481	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.9	-167.7	26.7	-35.7	0	0	0	115.5	V106 H116 I142	V106-P110 WeakPolarHBondContact O-CA 3.42Å; P110-H116 PolarHBondContact O-NE2 3.05Å; P110-I142 WeakPolarHBondContact O-CD1 3.5Å
111	L	91.1	Very high	92.5	Very high	143 Å²	143	47.1 Å²	47.1	75%	0.749	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.2	-178.6	-63.1	176.4	0	0	0	113.7	V109 E113	V109-L111 VanDerWaalsContact C-N 3.3Å; V109-L111 PolarHBondContact O-N 3.36Å; L111-E113 PolarHBondContact O-N 3.24Å
112	S	91.8	Very high	92.4	Very high	23 Å²	23	46.6 Å²	46.6	16%	0.161	24%	0.236	C	C	.	.			trans	-77	114.5	-178.5	176.1	0	0	0	0	111.8	V109 E114 Y115 H116	V109-S112 PolarHBondContact O-N 3.44Å; S112-E114 VanDerWaalsContact C-N 3.28Å; S112-E114 PolarHBondContact O-N 2.96Å; S112-Y115 PolarHBondContact O-N 3.28Å; S112-Y115 PolarHBondContact OG-N 2.92Å; S112-H116 PolarHBondContact O-CD2 3.22Å; S112-H116 VanDerWaalsContact O-CD2 3.28Å; S112-H116 PolarHBondContact O-N 3.02Å
113	E	92.7	Very high	92.4	Very high	56 Å²	56	47.2 Å²	47.2	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-42.2	173.7	-171.7	-176.9	170.7	0	0	111.3	L111 H116 S117 L139 V143 K145 Y148	L111-E113 PolarHBondContact O-N 3.24Å; E113-H116 PolarHBondContact O-N 3.45Å; E113-S117 WeakPolarHBondContact O-CB 3.43Å; E113-S117 PolarHBondContact O-N 3.3Å; E113-L139 HydrophobicContact CB-CD1 4.49Å; E113-L139 HydrophobicContact CG-CD1 3.77Å; E113-V143 HydrophobicContact CB-CG2 4.1Å; E113-V143 HydrophobicContact CG-CG2 3.93Å; E113-K145 IonicContact OE1-NZ 2.81Å; E113-K145 PolarHBondContact OE1-NZ 3.26Å; E113-K145 IonicContact OE2-NZ 3.4Å; E113-K145 PolarHBondContact OE2-NZ 3.37Å; E113-Y148 HydrophobicContact CG-CE2 4.31Å; E113-Y148 VanDerWaalsContact OE1-CE2 3.3Å; E113-Y148 WeakPolarHBondContact OE1-CE2 3.5Å; E113-Y148 VanDerWaalsContact OE1-CZ 3.31Å; E113-Y148 PolarHBondContact OE1-OH 2.91Å
114	E	90.7	Very high	92.3	Very high	128 Å²	128	45.3 Å²	45.3	60%	0.598	23%	0.229	S	C	*	.	H	α-helix	trans	-63.5	-46.2	-177.5	-65.3	-177.7	165.4	0	0	111.7	S112 S117 H118	S112-E114 VanDerWaalsContact C-N 3.28Å; S112-E114 PolarHBondContact O-N 2.96Å; E114-S117 WeakPolarHBondContact O-CB 3.45Å; E114-S117 PolarHBondContact O-N 2.96Å; E114-H118 PolarHBondContact O-CD2 3.16Å; E114-H118 PolarHBondContact O-N 3.42Å
115	Y	92.5	Very high	92	Very high	28 Å²	28	46.2 Å²	46.2	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-37.2	-178.7	-64.5	-16	0	0	0	112.9	T77 L82 A105 V109 S112 H118 L119	T77-Y115 PolarHBondContact O-OH 3.48Å; L82-Y115 HydrophobicContact CD1-CE1 4.07Å; A105-Y115 HydrophobicContact CB-CD2 4.26Å; V109-Y115 HydrophobicContact CB-CD2 4.04Å; V109-Y115 HydrophobicContact CB-CE2 4.05Å; V109-Y115 HydrophobicContact CG1-CE2 4.49Å; V109-Y115 HydrophobicContact CG2-CE2 4.19Å; S112-Y115 PolarHBondContact O-N 3.28Å; S112-Y115 PolarHBondContact OG-N 2.92Å; Y115-H118 PolarHBondContact O-N 2.99Å; Y115-L119 WeakPolarHBondContact O-CB 3.25Å; Y115-L119 PolarHBondContact O-N 3.24Å
116	H	93.1	Very high	91.8	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-38.8	172.9	-83.1	-80.6	0	0	0	112	V106 P110 S112 E113 L119 F120 L139 I142	V106-H116 WeakPolarHBondContact CG1-CE1 3.47Å; P110-H116 PolarHBondContact O-NE2 3.05Å; S112-H116 PolarHBondContact O-CD2 3.22Å; S112-H116 VanDerWaalsContact O-CD2 3.28Å; S112-H116 PolarHBondContact O-N 3.02Å; E113-H116 PolarHBondContact O-N 3.45Å; H116-L119 PolarHBondContact O-N 2.94Å; H116-F120 WeakPolarHBondContact O-CB 3.43Å; H116-F120 PolarHBondContact O-N 3.43Å; H116-L139 HydrophobicContact CB-CB 4.22Å; H116-L139 HydrophobicContact CB-CD1 3.78Å; H116-L139 HydrophobicContact CB-CG 4.47Å; H116-I142 WeakPolarHBondContact CD2-CD1 3.26Å; H116-I142 VanDerWaalsContact NE2-CD1 3.3Å; H116-I142 WeakPolarHBondContact NE2-CD1 3.36Å
117	S	92.4	Very high	91.5	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-48.6	173.6	-174.5	0	0	0	0	111.4	E113 E114 L119 F120 M121	E113-S117 WeakPolarHBondContact O-CB 3.43Å; E113-S117 PolarHBondContact O-N 3.3Å; E114-S117 WeakPolarHBondContact O-CB 3.45Å; E114-S117 PolarHBondContact O-N 2.96Å; S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.44Å; S117-F120 WeakPolarHBondContact O-CB 3.24Å; S117-F120 PolarHBondContact O-N 3.15Å; S117-M121 VanDerWaalsContact O-CG 3.3Å; S117-M121 WeakPolarHBondContact O-CG 3.44Å; S117-M121 PolarHBondContact O-N 2.79Å
118	H	92.2	Very high	91.5	Very high	66 Å²	66	44.9 Å²	44.9	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-38.5	175.8	-75.2	-64	0	0	0	112.8	Y102 E114 Y115 M121 A122	Y102-H118 HydrophobicContact CD1-CB 3.69Å; Y102-H118 HydrophobicContact CD2-CB 4.42Å; Y102-H118 HydrophobicContact CE1-CB 3.41Å; Y102-H118 VanDerWaalsContact CE1-CB 3.41Å; Y102-H118 AromaticContact CE1-CG 3.95Å; Y102-H118 HydrophobicContact CE2-CB 4.18Å; Y102-H118 HydrophobicContact CG-CB 4.19Å; E114-H118 PolarHBondContact O-CD2 3.16Å; E114-H118 PolarHBondContact O-N 3.42Å; Y115-H118 PolarHBondContact O-N 2.99Å; H118-M121 PolarHBondContact O-N 2.95Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 2.83Å
119	L	94.5	Very high	91.6	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-45.2	174.4	-179.6	57.4	0	0	0	111.7	E103 V106 Y115 H116 S117 M121 A122 Y123	E103-L119 HydrophobicContact CG-CD1 3.91Å; V106-L119 HydrophobicContact CB-CD2 4.19Å; V106-L119 HydrophobicContact CG1-CD2 4.42Å; V106-L119 HydrophobicContact CG2-CB 4.23Å; V106-L119 HydrophobicContact CG2-CD2 3.82Å; Y115-L119 WeakPolarHBondContact O-CB 3.25Å; Y115-L119 PolarHBondContact O-N 3.24Å; H116-L119 PolarHBondContact O-N 2.94Å; S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.44Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.5Å; L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.23Å; L119-Y123 HydrophobicContact CD1-CD2 4.18Å; L119-Y123 HydrophobicContact CD1-CE1 4.15Å; L119-Y123 HydrophobicContact CD1-CE2 3.56Å; L119-Y123 HydrophobicContact CD2-CE2 4.03Å; L119-Y123 HydrophobicContact CG-CD2 4.08Å; L119-Y123 HydrophobicContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact O-CD2 3.29Å; L119-Y123 WeakPolarHBondContact O-CD2 3.49Å; L119-Y123 PolarHBondContact O-N 3.3Å
120	F	94.8	Very high	91.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-46.6	173.9	-179.6	-86.3	0	0	0	111.2	H116 S117 A122 Y123 A124 M132 A135 W151 S155 Y586	H116-F120 WeakPolarHBondContact O-CB 3.43Å; H116-F120 PolarHBondContact O-N 3.43Å; S117-F120 WeakPolarHBondContact O-CB 3.24Å; S117-F120 PolarHBondContact O-N 3.15Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 2.96Å; F120-Y123 PolarHBondContact O-N 3.36Å; F120-A124 PolarHBondContact O-N 2.9Å; F120-M132 HydrophobicContact CD2-CB 4.15Å; F120-M132 WeakPolarHBondContact CD2-O 3.37Å; F120-M132 HydrophobicContact CE1-CE 3.88Å; F120-M132 HydrophobicContact CE2-CB 3.77Å; F120-M132 HydrophobicContact CE2-CE 4.08Å; F120-M132 HydrophobicContact CE2-CG 4.48Å; F120-M132 WeakPolarHBondContact CE2-O 3.37Å; F120-M132 HydrophobicContact CZ-CB 4.35Å; F120-M132 HydrophobicContact CZ-CE 3.51Å; F120-A135 HydrophobicContact CB-CB 4.38Å; F120-A135 HydrophobicContact CD2-CB 4.38Å; F120-W151 HydrophobicContact CD1-CD2 4.49Å; 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 4.3Å; F120-W151 HydrophobicContact CE1-CD2 4.13Å; F120-W151 AromaticContact CE1-CE3 3.83Å; F120-W151 HydrophobicContact CE1-CE3 3.83Å; F120-W151 HydrophobicContact CE1-CG 4.35Å; F120-W151 HydrophobicContact CE2-CB 4.01Å; F120-W151 HydrophobicContact CG-CE3 4.14Å; F120-W151 HydrophobicContact CZ-CB 3.7Å; F120-W151 HydrophobicContact CZ-CD2 4.41Å; F120-W151 HydrophobicContact CZ-CE3 4.27Å; F120-W151 HydrophobicContact CZ-CG 4.22Å; F120-S155 WeakPolarHBondContact CE2-OG 3.3Å; F120-Y586 AromaticContact CE1-CD1 3.98Å; F120-Y586 HydrophobicContact CE1-CD1 3.98Å; F120-Y586 HydrophobicContact CE1-CD2 4.4Å; F120-Y586 HydrophobicContact CE1-CE1 4.25Å; F120-Y586 HydrophobicContact CE1-CG 4.07Å; F120-Y586 AromaticContact CZ-CD1 3.98Å; F120-Y586 HydrophobicContact CZ-CD1 3.98Å; F120-Y586 AromaticContact CZ-CE1 3.88Å; F120-Y586 HydrophobicContact CZ-CE1 3.88Å
121	M	92	Very high	92	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-33.4	178.6	-61.3	-52.7	169.7	0	0	112.8	S117 H118 L119 A124 R125 W151 I583 K587	S117-M121 VanDerWaalsContact O-CG 3.3Å; S117-M121 WeakPolarHBondContact O-CG 3.44Å; S117-M121 PolarHBondContact O-N 2.79Å; H118-M121 PolarHBondContact O-N 2.95Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.5Å; M121-A124 PolarHBondContact O-N 2.93Å; M121-R125 PolarHBondContact O-N 3.08Å; M121-W151 HydrophobicContact CE-CE3 4.28Å; M121-W151 HydrophobicContact CE-CH2 3.31Å; M121-W151 HydrophobicContact CE-CZ2 3.89Å; M121-W151 HydrophobicContact CE-CZ3 3.53Å; M121-I583 HydrophobicContact CB-CD1 4.2Å; M121-I583 HydrophobicContact CB-CG1 4.26Å; M121-I583 HydrophobicContact CB-CG2 4.41Å; M121-I583 HydrophobicContact CG-CG2 4.07Å; M121-I583 HydrophobicContact SD-CB 4.13Å; M121-I583 HydrophobicContact SD-CG1 4.05Å; M121-I583 HydrophobicContact SD-CG2 3.53Å; M121-I583 VanDerWaalsContact SD-CG2 3.53Å; M121-K587 HydrophobicContact CE-CG 3.89Å
122	A	91.8	Very high	92.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-45	172.8	0	0	0	0	0	111	V98 T99 Y102 H118 L119 F120 R125 V126	V98-A122 HydrophobicContact CG1-CB 3.97Å; T99-A122 HydrophobicContact CG2-CB 4.17Å; Y102-A122 HydrophobicContact CD2-CB 4.34Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 2.83Å; L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.23Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 2.96Å; A122-R125 WeakPolarHBondContact O-CB 3.34Å; A122-R125 PolarHBondContact O-N 3.28Å; A122-V126 PolarHBondContact O-N 3.23Å
123	Y	94.1	Very high	92.4	Very high	17 Å²	17	38.5 Å²	38.5	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-39.4	174.4	-65.9	-45.4	0	0	0	112.8	T99 E103 L119 F120 R125 V126 G127 E128 K131 M132 A135	T99-Y123 HydrophobicContact CG2-CD1 3.79Å; T99-Y123 HydrophobicContact CG2-CE1 4.18Å; E103-Y123 WeakPolarHBondContact CG-OH 3.35Å; E103-Y123 PolarHBondContact OE1-OH 3.44Å; L119-Y123 HydrophobicContact CD1-CD2 4.18Å; L119-Y123 HydrophobicContact CD1-CE1 4.15Å; L119-Y123 HydrophobicContact CD1-CE2 3.56Å; L119-Y123 HydrophobicContact CD2-CE2 4.03Å; L119-Y123 HydrophobicContact CG-CD2 4.08Å; L119-Y123 HydrophobicContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact CG-CE2 3.5Å; L119-Y123 VanDerWaalsContact O-CD2 3.29Å; L119-Y123 WeakPolarHBondContact O-CD2 3.49Å; L119-Y123 PolarHBondContact O-N 3.3Å; F120-Y123 PolarHBondContact O-N 3.36Å; Y123-R125 VanDerWaalsContact C-N 3.28Å; Y123-R125 PolarHBondContact O-N 2.99Å; Y123-V126 PolarHBondContact O-N 3.13Å; Y123-G127 PolarHBondContact O-N 3.31Å; Y123-E128 HydrophobicContact CD1-CB 3.9Å; Y123-E128 HydrophobicContact CD1-CG 4.45Å; Y123-E128 HydrophobicContact CG-CB 4.33Å; Y123-E128 PolarHBondContact O-N 3.34Å; Y123-K131 HydrophobicContact CD1-CB 3.85Å; Y123-K131 HydrophobicContact CD1-CD 3.92Å; Y123-K131 HydrophobicContact CD2-CB 3.78Å; Y123-K131 HydrophobicContact CE1-CB 3.76Å; Y123-K131 HydrophobicContact CE1-CD 3.27Å; Y123-K131 HydrophobicContact CE1-CG 4.19Å; Y123-K131 HydrophobicContact CE2-CB 3.66Å; Y123-K131 HydrophobicContact CE2-CD 4.45Å; Y123-K131 HydrophobicContact CG-CB 3.88Å; Y123-M132 HydrophobicContact CG-CG 4.49Å; Y123-A135 HydrophobicContact CD2-CB 4.13Å; Y123-A135 HydrophobicContact CE2-CB 4.1Å
124	A	90.4	Very high	92.5	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-39.3	175.4	0	0	0	0	0	112.5	F120 M121 G127 M132 I583	F120-A124 PolarHBondContact O-N 2.9Å; M121-A124 PolarHBondContact O-N 2.93Å; A124-G127 PolarHBondContact O-N 3.49Å; A124-M132 WeakPolarHBondContact CA-SD 3.44Å; A124-M132 HydrophobicContact CB-CE 3.55Å; A124-M132 HydrophobicContact CB-SD 3.98Å; A124-I583 HydrophobicContact CB-CG1 4.25Å
125	R	86.3	Confident	92.7	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-43.2	177.9	-168.3	175.2	-65.8	103.4	-0.8	112.2	P95 M121 A122 Y123 E580 I583	P95-R125 HydrophobicContact CB-CG 4.4Å; M121-R125 PolarHBondContact O-N 3.08Å; A122-R125 WeakPolarHBondContact O-CB 3.34Å; A122-R125 PolarHBondContact O-N 3.28Å; Y123-R125 VanDerWaalsContact C-N 3.28Å; Y123-R125 PolarHBondContact O-N 2.99Å; R125-E580 IonicContact CZ-OE1 2.8Å; R125-E580 VanDerWaalsContact CZ-OE1 3.31Å; R125-E580 IonicContact NE-OE1 3.32Å; R125-E580 PolarHBondContact NE-OE1 2.85Å; R125-E580 IonicContact NH2-OE1 3.88Å; R125-E580 PolarHBondContact NH2-OE1 3.32Å; R125-E580 IonicContact NH2-OE2 3.13Å; R125-I583 HydrophobicContact CB-CD1 4.36Å; R125-I583 VanDerWaalsContact NH2-CD1 3.28Å
126	V	87.7	Confident	92.8	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-82.1	-21.8	-177.9	-177.3	0	0	0	0	112.3	P95 T99 A122 Y123 E128	P95-V126 HydrophobicContact CB-CG2 4.07Å; P95-V126 HydrophobicContact CG-CG2 4.47Å; P95-V126 WeakPolarHBondContact O-CG2 3.32Å; T99-V126 HydrophobicContact CG2-CB 4.3Å; T99-V126 HydrophobicContact CG2-CG2 3.7Å; A122-V126 PolarHBondContact O-N 3.23Å; Y123-V126 PolarHBondContact O-N 3.13Å; V126-E128 HydrophobicContact CB-CG 4.33Å; V126-E128 HydrophobicContact CG1-CG 4Å
127	G	88.6	Confident	92.9	Very high	21 Å²	21	35.5 Å²	35.5	22%	0.216	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	23.1	-177	0	0	0	0	0	113.9	Y123 A124 Y129	Y123-G127 PolarHBondContact O-N 3.31Å; A124-G127 PolarHBondContact O-N 3.49Å; G127-Y129 WeakPolarHBondContact O-CD2 3.21Å; G127-Y129 PolarHBondContact O-N 3.04Å
128	E	92.3	Very high	93.1	Very high	85 Å²	85	36.1 Å²	36.1	40%	0.397	18%	0.18	S	C	.	.			trans	-81.7	63.6	179.7	-73	-70.4	168.6	0	0	111.4	Y123 V126 K130 K131 M132	Y123-E128 HydrophobicContact CD1-CB 3.9Å; Y123-E128 HydrophobicContact CD1-CG 4.45Å; Y123-E128 HydrophobicContact CG-CB 4.33Å; Y123-E128 PolarHBondContact O-N 3.34Å; V126-E128 HydrophobicContact CB-CG 4.33Å; V126-E128 HydrophobicContact CG1-CG 4Å; E128-K130 VanDerWaalsContact C-N 3.27Å; E128-K130 PolarHBondContact O-N 3.45Å; E128-K130 VanDerWaalsContact O-N 3.15Å; E128-K131 HydrophobicContact CB-CB 4.27Å; E128-K131 HydrophobicContact CB-CD 4.43Å; E128-K131 PolarHBondContact O-N 3.33Å; E128-M132 WeakPolarHBondContact O-CG 3.44Å; E128-M132 PolarHBondContact O-N 3.06Å
129	Y	93.8	Very high	93.2	Very high	28 Å²	28	33 Å²	33	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-31.8	-167.1	-54.9	-59.3	0	0	0	114.5	G127 M132 Q133 M158 Q159 S162	G127-Y129 WeakPolarHBondContact O-CD2 3.21Å; G127-Y129 PolarHBondContact O-N 3.04Å; Y129-M132 HydrophobicContact CD1-SD 3.59Å; Y129-M132 VanDerWaalsContact CD1-SD 3.59Å; Y129-M132 HydrophobicContact CE1-SD 4.25Å; Y129-M132 WeakPolarHBondContact O-CB 3.45Å; Y129-M132 PolarHBondContact O-N 3.35Å; Y129-Q133 PolarHBondContact O-N 2.98Å; Y129-Q133 VanDerWaalsContact O-N 3.08Å; Y129-M158 HydrophobicContact CD1-CB 3.43Å; Y129-M158 VanDerWaalsContact CD1-CB 3.43Å; Y129-M158 HydrophobicContact CD1-CG 4.15Å; Y129-M158 HydrophobicContact CD2-CB 4.22Å; Y129-M158 HydrophobicContact CE1-CB 3.72Å; Y129-M158 HydrophobicContact CE1-CE 4.04Å; Y129-M158 HydrophobicContact CE1-CG 4.1Å; Y129-M158 HydrophobicContact CE2-CB 4.45Å; Y129-M158 HydrophobicContact CG-CB 3.72Å; Y129-Q159 VanDerWaalsContact CB-CG 3.48Å; Y129-Q159 PolarHBondContact O-NE2 3.11Å; Y129-S162 WeakPolarHBondContact CD2-OG 3.46Å
130	K	93.8	Very high	93.2	Very high	132 Å²	132	34.7 Å²	34.7	57%	0.574	17%	0.171	S	C	*	.	H	α-helix	trans	-65.4	-44.2	174.5	-175.9	176.6	179.4	178.5	0	112.1	E128 M132 Q133 Q134 Q159	E128-K130 VanDerWaalsContact C-N 3.27Å; E128-K130 PolarHBondContact O-N 3.45Å; E128-K130 VanDerWaalsContact O-N 3.15Å; K130-M132 VanDerWaalsContact C-N 3.33Å; K130-Q133 PolarHBondContact O-N 3.35Å; K130-Q134 WeakPolarHBondContact O-CG 3.4Å; K130-Q134 PolarHBondContact O-N 2.89Å; K130-Q159 VanDerWaalsContact CA-CD 3.45Å
131	K	95.8	Very high	93.2	Very high	69 Å²	69	43 Å²	43	30%	0.3	21%	0.207	S	C	.	.	H	α-helix	trans	-70.2	-33.2	176.9	-63.6	-171	176.1	-173.5	0	111.3	E103 Y123 E128 Q134 A135	E103-K131 IonicContact OE1-NZ 2.64Å; E103-K131 PolarHBondContact OE1-NZ 3.49Å; Y123-K131 HydrophobicContact CD1-CB 3.85Å; Y123-K131 HydrophobicContact CD1-CD 3.92Å; Y123-K131 HydrophobicContact CD2-CB 3.78Å; Y123-K131 HydrophobicContact CE1-CB 3.76Å; Y123-K131 HydrophobicContact CE1-CD 3.27Å; Y123-K131 HydrophobicContact CE1-CG 4.19Å; Y123-K131 HydrophobicContact CE2-CB 3.66Å; Y123-K131 HydrophobicContact CE2-CD 4.45Å; Y123-K131 HydrophobicContact CG-CB 3.88Å; E128-K131 HydrophobicContact CB-CB 4.27Å; E128-K131 HydrophobicContact CB-CD 4.43Å; E128-K131 PolarHBondContact O-N 3.33Å; K131-Q134 PolarHBondContact O-N 3.01Å; K131-A135 WeakPolarHBondContact O-CB 3.39Å; K131-A135 PolarHBondContact O-N 3.34Å
132	M	95	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-47.6	171.6	-65.7	173.4	63.8	0	0	112	F120 Y123 A124 E128 Y129 K130 Q134 A135 G136 S155 Y586	F120-M132 HydrophobicContact CD2-CB 4.15Å; F120-M132 WeakPolarHBondContact CD2-O 3.37Å; F120-M132 HydrophobicContact CE1-CE 3.88Å; F120-M132 HydrophobicContact CE2-CB 3.77Å; F120-M132 HydrophobicContact CE2-CE 4.08Å; F120-M132 HydrophobicContact CE2-CG 4.48Å; F120-M132 WeakPolarHBondContact CE2-O 3.37Å; F120-M132 HydrophobicContact CZ-CB 4.35Å; F120-M132 HydrophobicContact CZ-CE 3.51Å; Y123-M132 HydrophobicContact CG-CG 4.49Å; A124-M132 WeakPolarHBondContact CA-SD 3.44Å; A124-M132 HydrophobicContact CB-CE 3.55Å; A124-M132 HydrophobicContact CB-SD 3.98Å; E128-M132 WeakPolarHBondContact O-CG 3.44Å; E128-M132 PolarHBondContact O-N 3.06Å; Y129-M132 HydrophobicContact CD1-SD 3.59Å; Y129-M132 VanDerWaalsContact CD1-SD 3.59Å; Y129-M132 HydrophobicContact CE1-SD 4.25Å; Y129-M132 WeakPolarHBondContact O-CB 3.45Å; Y129-M132 PolarHBondContact O-N 3.35Å; K130-M132 VanDerWaalsContact C-N 3.33Å; M132-Q134 VanDerWaalsContact C-N 3.3Å; M132-Q134 PolarHBondContact O-N 3.44Å; M132-A135 PolarHBondContact O-N 3.41Å; M132-G136 PolarHBondContact O-N 2.91Å; M132-S155 WeakPolarHBondContact CB-OG 3.42Å; M132-Y586 HydrophobicContact CE-CE1 4.26Å; M132-Y586 HydrophobicContact CE-CE2 3.78Å; M132-Y586 WeakPolarHBondContact CE-OH 3.37Å
133	Q	95.7	Very high	93.4	Very high	36 Å²	36	46.6 Å²	46.6	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-46.3	177.8	-176.7	-162.8	6.2	0	0	111.4	Y129 K130 M137 S152	Y129-Q133 PolarHBondContact O-N 2.98Å; Y129-Q133 VanDerWaalsContact O-N 3.08Å; K130-Q133 PolarHBondContact O-N 3.35Å; Q133-M137 WeakPolarHBondContact O-CG 3.4Å; Q133-M137 PolarHBondContact O-N 2.87Å; Q133-M137 VanDerWaalsContact O-N 3.11Å; Q133-S152 PolarHBondContact O-OG 3.47Å
134	Q	95.1	Very high	93.3	Very high	118 Å²	118	50.4 Å²	50.4	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-64.2	-46	179.2	-66.7	174.9	-2.3	0	0	112	K130 K131 M132 M137 A138	K130-Q134 WeakPolarHBondContact O-CG 3.4Å; K130-Q134 PolarHBondContact O-N 2.89Å; K131-Q134 PolarHBondContact O-N 3.01Å; M132-Q134 VanDerWaalsContact C-N 3.3Å; M132-Q134 PolarHBondContact O-N 3.44Å; Q134-M137 PolarHBondContact O-N 3.47Å; Q134-A138 PolarHBondContact O-N 3.01Å
135	A	94.9	Very high	93.4	Very high	7 Å²	7	54.8 Å²	54.8	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-44.2	178.1	0	0	0	0	0	111.9	F120 Y123 K131 M132 M137 A138 L139	F120-A135 HydrophobicContact CB-CB 4.38Å; F120-A135 HydrophobicContact CD2-CB 4.38Å; Y123-A135 HydrophobicContact CD2-CB 4.13Å; Y123-A135 HydrophobicContact CE2-CB 4.1Å; K131-A135 WeakPolarHBondContact O-CB 3.39Å; K131-A135 PolarHBondContact O-N 3.34Å; M132-A135 PolarHBondContact O-N 3.41Å; A135-M137 VanDerWaalsContact C-N 3.32Å; A135-M137 PolarHBondContact O-N 3.33Å; A135-A138 PolarHBondContact O-N 3.43Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 3.4Å
136	G	95.3	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-36.2	177.2	0	0	0	0	0	112.8	M132 L139 Y140 S152	M132-G136 PolarHBondContact O-N 2.91Å; G136-L139 PolarHBondContact O-N 3.48Å; G136-Y140 WeakPolarHBondContact O-CB 3.35Å; G136-Y140 PolarHBondContact O-N 3.4Å; G136-S152 WeakPolarHBondContact CA-OG 3.34Å
137	M	95.4	Very high	93.9	Very high	41 Å²	41	55 Å²	55	20%	0.202	28%	0.278	C	S	.	.	H	α-helix	trans	-73.8	-34.5	176.1	-75.7	-64.6	87.5	0	0	112.5	Q133 Q134 A135 Y140 K141 Y149 S152 M180	Q133-M137 WeakPolarHBondContact O-CG 3.4Å; Q133-M137 PolarHBondContact O-N 2.87Å; Q133-M137 VanDerWaalsContact O-N 3.11Å; Q134-M137 PolarHBondContact O-N 3.47Å; A135-M137 VanDerWaalsContact C-N 3.32Å; A135-M137 PolarHBondContact O-N 3.33Å; M137-Y140 HydrophobicContact CE-CD1 4.4Å; M137-Y140 HydrophobicContact CE-CG 4.39Å; M137-K141 VanDerWaalsContact O-CG 3.27Å; M137-K141 WeakPolarHBondContact O-CG 3.33Å; M137-K141 PolarHBondContact O-N 2.62Å; M137-K141 VanDerWaalsContact O-N 3.12Å; M137-Y149 HydrophobicContact CE-CD2 3.61Å; M137-Y149 HydrophobicContact CE-CE2 4.15Å; M137-Y149 HydrophobicContact CE-CG 4.23Å; M137-Y149 HydrophobicContact SD-CD2 4.33Å; M137-Y149 HydrophobicContact SD-CE2 4.32Å; M137-S152 VanDerWaalsContact CE-OG 3.31Å; M137-S152 WeakPolarHBondContact CE-OG 3.4Å; M137-S152 WeakPolarHBondContact CG-OG 3.44Å; M137-S152 PolarHBondContact N-OG 3.2Å; M137-M180 HydrophobicContact CE-CE 4.24Å; M137-M180 HydrophobicContact SD-CE 3.88Å
138	A	95	Very high	94.2	Very high	34 Å²	34	55.3 Å²	55.3	28%	0.281	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-45.9	170.4	0	0	0	0	0	110.7	Q134 A135 Y140 K141 I142	Q134-A138 PolarHBondContact O-N 3.01Å; A135-A138 PolarHBondContact O-N 3.43Å; A138-Y140 PolarHBondContact O-N 2.79Å; A138-K141 WeakPolarHBondContact O-CB 3.35Å; A138-K141 PolarHBondContact O-N 2.69Å; A138-I142 WeakPolarHBondContact O-CG1 3.2Å; A138-I142 PolarHBondContact O-N 2.97Å; A138-I142 VanDerWaalsContact O-N 3.11Å
139	L	94.4	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-45.9	177.3	-177.6	59.8	0	0	0	112.1	E113 H116 A135 G136 K141 I142 V143 Y148 W151	E113-L139 HydrophobicContact CB-CD1 4.49Å; E113-L139 HydrophobicContact CG-CD1 3.77Å; H116-L139 HydrophobicContact CB-CB 4.22Å; H116-L139 HydrophobicContact CB-CD1 3.78Å; H116-L139 HydrophobicContact CB-CG 4.47Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 3.4Å; G136-L139 PolarHBondContact O-N 3.48Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.99Å; L139-I142 PolarHBondContact O-N 3.32Å; L139-V143 PolarHBondContact O-N 3.37Å; L139-Y148 HydrophobicContact CD1-CD2 4.24Å; L139-Y148 HydrophobicContact CD1-CE2 4.02Å; L139-Y148 HydrophobicContact CD2-CD1 3.58Å; L139-Y148 HydrophobicContact CD2-CD2 3.92Å; L139-Y148 HydrophobicContact CD2-CE1 3.74Å; L139-Y148 HydrophobicContact CD2-CE2 4.02Å; L139-Y148 HydrophobicContact CD2-CG 3.69Å; L139-Y148 HydrophobicContact CG-CD1 4.18Å; L139-Y148 HydrophobicContact CG-CD2 3.57Å; L139-Y148 HydrophobicContact CG-CE1 4.42Å; L139-Y148 HydrophobicContact CG-CE2 3.81Å; L139-Y148 HydrophobicContact CG-CG 3.77Å; L139-W151 HydrophobicContact CD2-CE3 4.36Å; L139-W151 HydrophobicContact CD2-CZ3 4.09Å
140	Y	95.6	Very high	94.5	Very high	48 Å²	48	50.6 Å²	50.6	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-34.4	176.1	-178.7	-108.2	0	0	0	113.2	G136 M137 A138 I142 V143 P144 K145 Y149	G136-Y140 WeakPolarHBondContact O-CB 3.35Å; G136-Y140 PolarHBondContact O-N 3.4Å; M137-Y140 HydrophobicContact CE-CD1 4.4Å; M137-Y140 HydrophobicContact CE-CG 4.39Å; A138-Y140 PolarHBondContact O-N 2.79Å; Y140-I142 VanDerWaalsContact C-N 3.35Å; Y140-V143 WeakPolarHBondContact CA-O 3.38Å; Y140-V143 CarbonylContact O-C 3.34Å; Y140-V143 VanDerWaalsContact O-C 3.26Å; Y140-P144 HydrophobicContact CE2-CB 4.09Å; Y140-P144 VanDerWaalsContact O-CA 3.28Å; Y140-P144 WeakPolarHBondContact O-CA 3.23Å; Y140-K145 WeakPolarHBondContact CD2-O 3.4Å; Y140-Y149 AromaticContact CD1-CD2 3.88Å; Y140-Y149 HydrophobicContact CD1-CD2 3.88Å; Y140-Y149 AromaticContact CE1-CD2 3.79Å; Y140-Y149 HydrophobicContact CE1-CD2 3.79Å; Y140-Y149 HydrophobicContact CE1-CE2 4.48Å; Y140-Y149 HydrophobicContact CG-CD2 4.29Å
141	K	95	Very high	94.6	Very high	173 Å²	173	45 Å²	45	75%	0.752	23%	0.227	S	C	*	.	H	α-helix	trans	-69.2	-32.4	175.4	-74.9	172.1	-177	-179.4	0	112.7	M137 A138 L139	M137-K141 VanDerWaalsContact O-CG 3.27Å; M137-K141 WeakPolarHBondContact O-CG 3.33Å; M137-K141 PolarHBondContact O-N 2.62Å; M137-K141 VanDerWaalsContact O-N 3.12Å; A138-K141 WeakPolarHBondContact O-CB 3.35Å; A138-K141 PolarHBondContact O-N 2.69Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.99Å
142	I	93.8	Very high	94.7	Very high	54 Å²	54	41.7 Å²	41.7	28%	0.277	21%	0.212	S	C	.	.	H	α-helix	trans	-76.1	-49	177.1	-61.9	164	0	0	0	109.5	P110 H116 A138 L139 Y140	P110-I142 WeakPolarHBondContact O-CD1 3.5Å; H116-I142 WeakPolarHBondContact CD2-CD1 3.26Å; H116-I142 VanDerWaalsContact NE2-CD1 3.3Å; H116-I142 WeakPolarHBondContact NE2-CD1 3.36Å; A138-I142 WeakPolarHBondContact O-CG1 3.2Å; A138-I142 PolarHBondContact O-N 2.97Å; A138-I142 VanDerWaalsContact O-N 3.11Å; L139-I142 PolarHBondContact O-N 3.32Å; Y140-I142 VanDerWaalsContact C-N 3.35Å
143	V	93.5	Very high	94.8	Very high	33 Å²	33	41.7 Å²	41.7	20%	0.2	21%	0.212	C	C	.	.	S	Bend	trans	-131.4	105.9	-179.3	-167.9	0	0	0	0	109	E113 L139 Y140 K145 Y148	E113-V143 HydrophobicContact CB-CG2 4.1Å; E113-V143 HydrophobicContact CG-CG2 3.93Å; L139-V143 PolarHBondContact O-N 3.37Å; Y140-V143 WeakPolarHBondContact CA-O 3.38Å; Y140-V143 CarbonylContact O-C 3.34Å; Y140-V143 VanDerWaalsContact O-C 3.26Å; V143-K145 HydrophobicContact CG1-CD 3.98Å; V143-K145 HydrophobicContact CG1-CG 3.99Å; V143-K145 PolarHBondContact O-N 3.41Å; V143-Y148 HydrophobicContact CB-CE2 4.39Å
144	P	91.5	Very high	94.8	Very high	96 Å²	96	40 Å²	40	62%	0.623	20%	0.204	S	C	*	.			trans	-78.5	65.8	-172.5	32.4	-36.4	0	0	0	112.3	Y140	Y140-P144 HydrophobicContact CE2-CB 4.09Å; Y140-P144 VanDerWaalsContact O-CA 3.28Å; Y140-P144 WeakPolarHBondContact O-CA 3.23Å
145	K	92.8	Very high	94.9	Very high	94 Å²	94	34.3 Å²	34.3	41%	0.409	18%	0.178	S	C	.	.			trans	-93.3	131.7	172.1	-70.9	171	-175.8	166.9	0	110	E113 Y140 V143 Y148	E113-K145 IonicContact OE1-NZ 2.81Å; E113-K145 PolarHBondContact OE1-NZ 3.26Å; E113-K145 IonicContact OE2-NZ 3.4Å; E113-K145 PolarHBondContact OE2-NZ 3.37Å; Y140-K145 WeakPolarHBondContact CD2-O 3.4Å; V143-K145 HydrophobicContact CG1-CD 3.98Å; V143-K145 HydrophobicContact CG1-CG 3.99Å; V143-K145 PolarHBondContact O-N 3.41Å; K145-Y148 HydrophobicContact CB-CD2 3.83Å; K145-Y148 HydrophobicContact CB-CE2 4.06Å; K145-Y148 HydrophobicContact CB-CG 4.37Å; K145-Y148 HydrophobicContact CD-CD2 4.32Å; K145-Y148 HydrophobicContact CD-CE2 3.67Å; K145-Y148 HydrophobicContact CG-CE2 4.32Å; K145-Y148 PolarHBondContact O-N 3.09Å; K145-Y148 VanDerWaalsContact O-N 3.08Å
146	N	91.3	Very high	94.9	Very high	18 Å²	18	34 Å²	34	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-50.5	-44.9	-179.9	-77.2	-13.1	0	0	0	114.1	Y148 Y149 F150 K189 E191	N146-Y148 VanDerWaalsContact C-N 3.26Å; N146-Y148 PolarHBondContact O-N 3.19Å; N146-Y148 VanDerWaalsContact O-N 3.15Å; N146-Y149 VanDerWaalsContact O-CB 3.32Å; N146-Y149 WeakPolarHBondContact O-CB 3.42Å; N146-Y149 PolarHBondContact O-N 2.95Å; N146-F150 WeakPolarHBondContact O-CD2 3.29Å; N146-F150 PolarHBondContact O-N 3.28Å; N146-K189 PolarHBondContact ND2-O 2.94Å; N146-E191 PolarHBondContact ND2-OE1 3.19Å; N146-E191 VanDerWaalsContact ND2-OE1 3.1Å; N146-E191 PolarHBondContact ND2-OE2 3.19Å; N146-E191 VanDerWaalsContact ND2-OE2 3.1Å
147	P	93.2	Very high	94.9	Very high	68 Å²	68	34 Å²	34	44%	0.442	18%	0.176	S	C	.	.	H	α-helix	trans	-53.7	-38.7	178	-30.2	36.2	0	0	0	114.2	Y149 F150 W151	P147-Y149 VanDerWaalsContact C-N 3.3Å; P147-Y149 PolarHBondContact O-N 3.36Å; P147-F150 PolarHBondContact O-N 3.5Å; P147-W151 PolarHBondContact O-N 2.68Å
148	Y	94.9	Very high	94.9	Very high	27 Å²	27	32.1 Å²	32.1	11%	0.106	17%	0.166	C	C	.	.	H	α-helix	trans	-68.2	-31.8	179.8	-58.9	-26.7	0	0	0	112.5	E113 L139 V143 K145 N146 W151 S152	E113-Y148 HydrophobicContact CG-CE2 4.31Å; E113-Y148 VanDerWaalsContact OE1-CE2 3.3Å; E113-Y148 WeakPolarHBondContact OE1-CE2 3.5Å; E113-Y148 VanDerWaalsContact OE1-CZ 3.31Å; E113-Y148 PolarHBondContact OE1-OH 2.91Å; L139-Y148 HydrophobicContact CD1-CD2 4.24Å; L139-Y148 HydrophobicContact CD1-CE2 4.02Å; L139-Y148 HydrophobicContact CD2-CD1 3.58Å; L139-Y148 HydrophobicContact CD2-CD2 3.92Å; L139-Y148 HydrophobicContact CD2-CE1 3.74Å; L139-Y148 HydrophobicContact CD2-CE2 4.02Å; L139-Y148 HydrophobicContact CD2-CG 3.69Å; L139-Y148 HydrophobicContact CG-CD1 4.18Å; L139-Y148 HydrophobicContact CG-CD2 3.57Å; L139-Y148 HydrophobicContact CG-CE1 4.42Å; L139-Y148 HydrophobicContact CG-CE2 3.81Å; L139-Y148 HydrophobicContact CG-CG 3.77Å; V143-Y148 HydrophobicContact CB-CE2 4.39Å; K145-Y148 HydrophobicContact CB-CD2 3.83Å; K145-Y148 HydrophobicContact CB-CE2 4.06Å; K145-Y148 HydrophobicContact CB-CG 4.37Å; K145-Y148 HydrophobicContact CD-CD2 4.32Å; K145-Y148 HydrophobicContact CD-CE2 3.67Å; K145-Y148 HydrophobicContact CG-CE2 4.32Å; K145-Y148 PolarHBondContact O-N 3.09Å; K145-Y148 VanDerWaalsContact O-N 3.08Å; N146-Y148 VanDerWaalsContact C-N 3.26Å; N146-Y148 PolarHBondContact O-N 3.19Å; N146-Y148 VanDerWaalsContact O-N 3.15Å; Y148-W151 HydrophobicContact CD1-CD2 4.11Å; Y148-W151 AromaticContact CD1-CE3 3.8Å; Y148-W151 HydrophobicContact CD1-CE3 3.8Å; Y148-W151 HydrophobicContact CD1-CH2 4.01Å; Y148-W151 HydrophobicContact CD1-CZ2 4.32Å; Y148-W151 AromaticContact CD1-CZ3 3.74Å; Y148-W151 HydrophobicContact CD1-CZ3 3.74Å; Y148-W151 HydrophobicContact CE1-CE3 4.28Å; Y148-W151 AromaticContact CE1-CH2 3.69Å; Y148-W151 HydrophobicContact CE1-CH2 3.69Å; Y148-W151 HydrophobicContact CE1-CZ2 4.21Å; Y148-W151 AromaticContact CE1-CZ3 3.73Å; Y148-W151 HydrophobicContact CE1-CZ3 3.73Å; Y148-S152 PolarHBondContact O-N 3.39Å
149	Y	95.8	Very high	94.9	Very high	15 Å²	15	31.1 Å²	31.1	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-49	172.1	-170.7	-96.6	0	0	0	111	M137 Y140 N146 P147 W151 S152 V153 M180 M184	M137-Y149 HydrophobicContact CE-CD2 3.61Å; M137-Y149 HydrophobicContact CE-CE2 4.15Å; M137-Y149 HydrophobicContact CE-CG 4.23Å; M137-Y149 HydrophobicContact SD-CD2 4.33Å; M137-Y149 HydrophobicContact SD-CE2 4.32Å; Y140-Y149 AromaticContact CD1-CD2 3.88Å; Y140-Y149 HydrophobicContact CD1-CD2 3.88Å; Y140-Y149 AromaticContact CE1-CD2 3.79Å; Y140-Y149 HydrophobicContact CE1-CD2 3.79Å; Y140-Y149 HydrophobicContact CE1-CE2 4.48Å; Y140-Y149 HydrophobicContact CG-CD2 4.29Å; N146-Y149 VanDerWaalsContact O-CB 3.32Å; N146-Y149 WeakPolarHBondContact O-CB 3.42Å; N146-Y149 PolarHBondContact O-N 2.95Å; P147-Y149 VanDerWaalsContact C-N 3.3Å; P147-Y149 PolarHBondContact O-N 3.36Å; Y149-W151 VanDerWaalsContact C-N 3.32Å; Y149-W151 PolarHBondContact O-N 2.71Å; Y149-S152 WeakPolarHBondContact O-CB 3.39Å; Y149-S152 PolarHBondContact O-N 2.93Å; Y149-S152 VanDerWaalsContact O-N 3.14Å; Y149-V153 HydrophobicContact CD1-CG2 4.07Å; Y149-V153 HydrophobicContact CE1-CG2 3.9Å; Y149-V153 PolarHBondContact O-N 2.96Å; Y149-V153 VanDerWaalsContact O-N 3.12Å; Y149-M180 HydrophobicContact CD2-CE 4.5Å; Y149-M180 HydrophobicContact CE1-CB 4.1Å; Y149-M180 HydrophobicContact CE1-CE 4.14Å; Y149-M180 WeakPolarHBondContact CE1-O 3.15Å; Y149-M180 HydrophobicContact CE2-CE 3.81Å; Y149-M180 VanDerWaalsContact OH-CA 3.28Å; Y149-M180 WeakPolarHBondContact OH-CA 3.4Å; Y149-M180 WeakPolarHBondContact OH-CB 3.34Å; Y149-M180 WeakPolarHBondContact OH-CG 3.36Å; Y149-M180 PolarHBondContact OH-O 2.96Å; Y149-M180 VanDerWaalsContact OH-O 3.07Å; Y149-M184 HydrophobicContact CD1-CE 3.48Å; Y149-M184 VanDerWaalsContact CD1-CE 3.48Å; Y149-M184 HydrophobicContact CD1-CG 3.87Å; Y149-M184 HydrophobicContact CD2-CE 3.49Å; Y149-M184 VanDerWaalsContact CD2-CE 3.49Å; Y149-M184 HydrophobicContact CE1-CE 3.57Å; Y149-M184 HydrophobicContact CE1-CG 3.58Å; Y149-M184 HydrophobicContact CE1-SD 4.44Å; Y149-M184 HydrophobicContact CE2-CE 3.59Å; Y149-M184 HydrophobicContact CG-CE 3.43Å; Y149-M184 VanDerWaalsContact CG-CE 3.43Å
150	F	96.4	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.2	-23.4	-179.3	-72.1	-77.4	0	0	0	113.5	N146 P147 S152 V153 M154 V181 M184 I190 E195 L198 F591	N146-F150 WeakPolarHBondContact O-CD2 3.29Å; N146-F150 PolarHBondContact O-N 3.28Å; P147-F150 PolarHBondContact O-N 3.5Å; F150-S152 VanDerWaalsContact C-N 3.31Å; F150-S152 PolarHBondContact O-N 3.39Å; F150-V153 HydrophobicContact CD1-CB 4.46Å; F150-V153 HydrophobicContact CD1-CG2 4.35Å; F150-V153 PolarHBondContact O-N 3.16Å; F150-M154 VanDerWaalsContact O-CB 3.31Å; F150-M154 WeakPolarHBondContact O-CB 3.28Å; F150-M154 PolarHBondContact O-N 3.18Å; F150-V181 HydrophobicContact CE1-CG1 4.31Å; F150-V181 HydrophobicContact CE1-CG2 4.04Å; F150-M184 HydrophobicContact CZ-CB 4.13Å; F150-M184 HydrophobicContact CZ-CG 4.16Å; F150-I190 HydrophobicContact CE1-CD1 4.24Å; F150-I190 HydrophobicContact CE2-CD1 4.44Å; F150-I190 HydrophobicContact CZ-CD1 3.54Å; F150-E195 HydrophobicContact CD1-CB 4.41Å; F150-E195 HydrophobicContact CD1-CG 4.23Å; F150-E195 HydrophobicContact CD2-CG 3.64Å; F150-E195 WeakPolarHBondContact CD2-OE1 3.4Å; F150-E195 HydrophobicContact CE1-CB 4.02Å; F150-E195 HydrophobicContact CE1-CG 4.15Å; F150-E195 HydrophobicContact CE2-CB 4.19Å; F150-E195 VanDerWaalsContact CE2-CD 3.42Å; F150-E195 HydrophobicContact CE2-CG 3.6Å; F150-E195 WeakPolarHBondContact CE2-OE1 3.41Å; F150-E195 HydrophobicContact CG-CG 3.99Å; F150-E195 HydrophobicContact CZ-CB 3.93Å; F150-E195 HydrophobicContact CZ-CG 3.87Å; F150-L198 HydrophobicContact CB-CD2 4.24Å; F150-L198 HydrophobicContact CD1-CD2 3.88Å; F150-F591 HydrophobicContact CB-CE2 3.92Å; F150-F591 HydrophobicContact CB-CZ 3.88Å
151	W	96.8	Very high	94.6	Very high	13 Å²	13	32.4 Å²	32.4	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-42	167	-72.9	8.2	0	0	0	111.7	F120 M121 L139 P147 Y148 Y149 S155 Y586 K587 F591	F120-W151 HydrophobicContact CD1-CD2 4.49Å; 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 4.3Å; F120-W151 HydrophobicContact CE1-CD2 4.13Å; F120-W151 AromaticContact CE1-CE3 3.83Å; F120-W151 HydrophobicContact CE1-CE3 3.83Å; F120-W151 HydrophobicContact CE1-CG 4.35Å; F120-W151 HydrophobicContact CE2-CB 4.01Å; F120-W151 HydrophobicContact CG-CE3 4.14Å; F120-W151 HydrophobicContact CZ-CB 3.7Å; F120-W151 HydrophobicContact CZ-CD2 4.41Å; F120-W151 HydrophobicContact CZ-CE3 4.27Å; F120-W151 HydrophobicContact CZ-CG 4.22Å; M121-W151 HydrophobicContact CE-CE3 4.28Å; M121-W151 HydrophobicContact CE-CH2 3.31Å; M121-W151 HydrophobicContact CE-CZ2 3.89Å; M121-W151 HydrophobicContact CE-CZ3 3.53Å; L139-W151 HydrophobicContact CD2-CE3 4.36Å; L139-W151 HydrophobicContact CD2-CZ3 4.09Å; P147-W151 PolarHBondContact O-N 2.68Å; Y148-W151 HydrophobicContact CD1-CD2 4.11Å; Y148-W151 AromaticContact CD1-CE3 3.8Å; Y148-W151 HydrophobicContact CD1-CE3 3.8Å; Y148-W151 HydrophobicContact CD1-CH2 4.01Å; Y148-W151 HydrophobicContact CD1-CZ2 4.32Å; Y148-W151 AromaticContact CD1-CZ3 3.74Å; Y148-W151 HydrophobicContact CD1-CZ3 3.74Å; Y148-W151 HydrophobicContact CE1-CE3 4.28Å; Y148-W151 AromaticContact CE1-CH2 3.69Å; Y148-W151 HydrophobicContact CE1-CH2 3.69Å; Y148-W151 HydrophobicContact CE1-CZ2 4.21Å; Y148-W151 AromaticContact CE1-CZ3 3.73Å; Y148-W151 HydrophobicContact CE1-CZ3 3.73Å; Y149-W151 VanDerWaalsContact C-N 3.32Å; Y149-W151 PolarHBondContact O-N 2.71Å; W151-S155 WeakPolarHBondContact O-CB 3.4Å; W151-S155 PolarHBondContact O-N 3.23Å; W151-S155 PolarHBondContact O-OG 3.25Å; W151-Y586 HydrophobicContact CB-CD1 4.38Å; W151-Y586 AromaticContact CD1-CD1 3.95Å; W151-Y586 HydrophobicContact CG-CD1 4.11Å; W151-Y586 PolarHBondContact NE1-O 2.81Å; W151-K587 HydrophobicContact CZ2-CG 4.37Å; W151-F591 AromaticContact CD1-CE1 3.98Å
152	S	96.5	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-39.5	174.6	-73	0	0	0	0	112.8	Q133 G136 M137 Y148 Y149 F150 S155 L156	Q133-S152 PolarHBondContact O-OG 3.47Å; G136-S152 WeakPolarHBondContact CA-OG 3.34Å; M137-S152 VanDerWaalsContact CE-OG 3.31Å; M137-S152 WeakPolarHBondContact CE-OG 3.4Å; M137-S152 WeakPolarHBondContact CG-OG 3.44Å; M137-S152 PolarHBondContact N-OG 3.2Å; Y148-S152 PolarHBondContact O-N 3.39Å; Y149-S152 WeakPolarHBondContact O-CB 3.39Å; Y149-S152 PolarHBondContact O-N 2.93Å; Y149-S152 VanDerWaalsContact O-N 3.14Å; F150-S152 VanDerWaalsContact C-N 3.31Å; F150-S152 PolarHBondContact O-N 3.39Å; S152-S155 WeakPolarHBondContact O-CB 3.37Å; S152-S155 PolarHBondContact O-N 2.96Å; S152-L156 PolarHBondContact O-N 3.31Å
153	V	97.4	Very high	93.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-50.3	173.8	176.5	0	0	0	0	110	Y149 F150 S155 L156 V157 A177 M180 V181 L198 I202	Y149-V153 HydrophobicContact CD1-CG2 4.07Å; Y149-V153 HydrophobicContact CE1-CG2 3.9Å; Y149-V153 PolarHBondContact O-N 2.96Å; Y149-V153 VanDerWaalsContact O-N 3.12Å; F150-V153 HydrophobicContact CD1-CB 4.46Å; F150-V153 HydrophobicContact CD1-CG2 4.35Å; F150-V153 PolarHBondContact O-N 3.16Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 3.43Å; V153-L156 WeakPolarHBondContact O-CA 3.36Å; V153-L156 VanDerWaalsContact O-CB 3.28Å; V153-L156 WeakPolarHBondContact O-CB 3.5Å; V153-L156 PolarHBondContact O-N 3.42Å; V153-V157 PolarHBondContact O-N 3.39Å; V153-A177 HydrophobicContact CG1-CB 4.21Å; V153-M180 HydrophobicContact CG2-CB 3.97Å; V153-M180 HydrophobicContact CG2-CE 3.89Å; V153-M180 HydrophobicContact CG2-SD 4.44Å; V153-V181 HydrophobicContact CG1-CG2 3.62Å; V153-V181 HydrophobicContact CG2-CG2 4.26Å; V153-L198 HydrophobicContact CB-CD2 4.21Å; V153-L198 HydrophobicContact CG1-CD2 3.93Å; V153-L198 HydrophobicContact CG1-CG 4.23Å; V153-I202 HydrophobicContact CG1-CD1 3.59Å
154	M	96.9	Very high	93	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-36.5	178.4	-176	66.2	-141.3	0	0	111.9	F150 L156 V157 M158 L198 M201 Y586 F591 I594 P595	F150-M154 VanDerWaalsContact O-CB 3.31Å; F150-M154 WeakPolarHBondContact O-CB 3.28Å; F150-M154 PolarHBondContact O-N 3.18Å; M154-L156 VanDerWaalsContact C-N 3.25Å; M154-L156 PolarHBondContact O-N 3Å; M154-V157 HydrophobicContact CE-CB 4.26Å; M154-V157 HydrophobicContact CE-CG1 4.13Å; M154-V157 WeakPolarHBondContact O-CB 3.45Å; M154-V157 PolarHBondContact O-N 3.32Å; M154-V157 HydrophobicContact SD-CB 4.43Å; M154-M158 HydrophobicContact CE-CG 3.8Å; M154-M158 HydrophobicContact CE-SD 3.47Å; M154-M158 WeakPolarHBondContact CE-SD 3.21Å; M154-M158 WeakPolarHBondContact O-CG 3.17Å; M154-M158 PolarHBondContact O-N 2.93Å; M154-L198 HydrophobicContact CB-CD2 4.2Å; M154-L198 HydrophobicContact SD-CD1 3.68Å; M154-M201 HydrophobicContact CE-CE 3.96Å; M154-M201 HydrophobicContact SD-CE 3.64Å; M154-Y586 HydrophobicContact CB-CE1 3.81Å; M154-Y586 HydrophobicContact CG-CD1 4.47Å; M154-Y586 HydrophobicContact CG-CE1 3.61Å; M154-F591 HydrophobicContact CB-CD1 3.9Å; M154-F591 HydrophobicContact CB-CE1 4.18Å; M154-F591 HydrophobicContact CG-CB 4.43Å; M154-F591 HydrophobicContact CG-CD1 3.74Å; M154-F591 HydrophobicContact CG-CE1 4.42Å; M154-F591 HydrophobicContact CG-CG 4.36Å; M154-F591 HydrophobicContact SD-CB 3.8Å; M154-F591 HydrophobicContact SD-CD1 4.24Å; M154-F591 HydrophobicContact SD-CG 4.29Å; M154-I594 HydrophobicContact CE-CB 4.12Å; M154-I594 HydrophobicContact CE-CG2 4.21Å; M154-I594 HydrophobicContact CG-CD1 3.83Å; M154-I594 HydrophobicContact SD-CD1 4.49Å; M154-P595 HydrophobicContact CE-CG 3.96Å
155	S	96	Very high	92.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-33.7	173.2	-57.7	0	0	0	0	112.4	F120 M132 W151 S152 V153 M158 Q159	F120-S155 WeakPolarHBondContact CE2-OG 3.3Å; M132-S155 WeakPolarHBondContact CB-OG 3.42Å; W151-S155 WeakPolarHBondContact O-CB 3.4Å; W151-S155 PolarHBondContact O-N 3.23Å; W151-S155 PolarHBondContact O-OG 3.25Å; S152-S155 WeakPolarHBondContact O-CB 3.37Å; S152-S155 PolarHBondContact O-N 2.96Å; V153-S155 VanDerWaalsContact C-N 3.3Å; V153-S155 PolarHBondContact O-N 3.43Å; S155-M158 PolarHBondContact O-N 3.49Å; S155-Q159 WeakPolarHBondContact O-CG 3.32Å; S155-Q159 PolarHBondContact O-N 2.98Å
156	L	95.6	Very high	92.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-72.2	-37.4	175.2	-168.3	58.8	0	0	0	112	S152 V153 M154 M158 Q159 A160 F173 L176 A177 M180	S152-L156 PolarHBondContact O-N 3.31Å; V153-L156 WeakPolarHBondContact O-CA 3.36Å; V153-L156 VanDerWaalsContact O-CB 3.28Å; V153-L156 WeakPolarHBondContact O-CB 3.5Å; V153-L156 PolarHBondContact O-N 3.42Å; M154-L156 VanDerWaalsContact C-N 3.25Å; M154-L156 PolarHBondContact O-N 3Å; L156-M158 VanDerWaalsContact C-N 3.33Å; L156-Q159 WeakPolarHBondContact O-CB 2.85Å; L156-Q159 PolarHBondContact O-N 2.81Å; L156-A160 PolarHBondContact O-N 3.35Å; L156-A160 VanDerWaalsContact O-N 3.07Å; L156-F173 HydrophobicContact CD1-CB 4.11Å; L156-F173 HydrophobicContact CD1-CD1 3.57Å; L156-F173 HydrophobicContact CD1-CE1 4.39Å; L156-F173 HydrophobicContact CD1-CG 4.21Å; L156-F173 WeakPolarHBondContact CD2-O 3.5Å; L156-F173 HydrophobicContact CG-CB 4.39Å; L156-F173 WeakPolarHBondContact CG-O 3.46Å; L156-L176 HydrophobicContact CD2-CB 3.79Å; L156-L176 HydrophobicContact CD2-CD2 3.88Å; L156-L176 HydrophobicContact CD2-CG 3.64Å; L156-A177 HydrophobicContact CB-CB 4.47Å; L156-A177 HydrophobicContact CD2-CB 3.9Å; L156-A177 HydrophobicContact CG-CB 4.27Å; L156-M180 HydrophobicContact CD2-SD 4.32Å
157	V	95.9	Very high	92.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-42.8	169.5	176.8	0	0	0	0	110.7	V153 M154 Q159 A160 I161 A177 L198 M201 I202	V153-V157 PolarHBondContact O-N 3.39Å; M154-V157 HydrophobicContact CE-CB 4.26Å; M154-V157 HydrophobicContact CE-CG1 4.13Å; M154-V157 WeakPolarHBondContact O-CB 3.45Å; M154-V157 PolarHBondContact O-N 3.32Å; M154-V157 HydrophobicContact SD-CB 4.43Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.32Å; V157-A160 WeakPolarHBondContact O-CB 3.21Å; V157-A160 PolarHBondContact O-N 3.32Å; V157-A160 VanDerWaalsContact O-N 3.12Å; V157-I161 HydrophobicContact CG1-CD1 3.86Å; V157-I161 HydrophobicContact CG1-CG1 4.42Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å; V157-I161 PolarHBondContact O-N 2.9Å; V157-A177 HydrophobicContact CG2-CB 4.31Å; V157-L198 HydrophobicContact CG2-CD1 4.14Å; V157-M201 HydrophobicContact CG1-CE 4.05Å; V157-I202 HydrophobicContact CG2-CD1 4.07Å; V157-I202 HydrophobicContact CG2-CG1 3.59Å
158	M	94.8	Very high	91.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-38.2	175.8	-68.3	-50.6	-57.6	0	0	112.6	Y129 M154 S155 L156 A160 I161 S162 I594 P595 I598	Y129-M158 HydrophobicContact CD1-CB 3.43Å; Y129-M158 VanDerWaalsContact CD1-CB 3.43Å; Y129-M158 HydrophobicContact CD1-CG 4.15Å; Y129-M158 HydrophobicContact CD2-CB 4.22Å; Y129-M158 HydrophobicContact CE1-CB 3.72Å; Y129-M158 HydrophobicContact CE1-CE 4.04Å; Y129-M158 HydrophobicContact CE1-CG 4.1Å; Y129-M158 HydrophobicContact CE2-CB 4.45Å; Y129-M158 HydrophobicContact CG-CB 3.72Å; M154-M158 HydrophobicContact CE-CG 3.8Å; M154-M158 HydrophobicContact CE-SD 3.47Å; M154-M158 WeakPolarHBondContact CE-SD 3.21Å; M154-M158 WeakPolarHBondContact O-CG 3.17Å; M154-M158 PolarHBondContact O-N 2.93Å; S155-M158 PolarHBondContact O-N 3.49Å; L156-M158 VanDerWaalsContact C-N 3.33Å; M158-A160 VanDerWaalsContact C-N 3.3Å; M158-A160 PolarHBondContact O-N 3.18Å; M158-I161 PolarHBondContact O-N 2.93Å; M158-I161 HydrophobicContact SD-CD1 3.97Å; M158-S162 WeakPolarHBondContact O-CB 3.46Å; M158-S162 PolarHBondContact O-N 2.99Å; M158-S162 PolarHBondContact O-OG 2.84Å; M158-I594 HydrophobicContact CE-CG2 4.39Å; M158-I594 HydrophobicContact CG-CG2 4.22Å; M158-I594 HydrophobicContact SD-CG2 3.72Å; M158-P595 HydrophobicContact SD-CG 4.16Å; M158-I598 HydrophobicContact CE-CB 4.41Å; M158-I598 HydrophobicContact CE-CG1 3.9Å
159	Q	94	Very high	91.5	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-42.3	171.2	-76.1	177.1	84.6	0	0	111.9	Y129 K130 S155 L156 V157 S162 A163 F173	Y129-Q159 VanDerWaalsContact CB-CG 3.48Å; Y129-Q159 PolarHBondContact O-NE2 3.11Å; K130-Q159 VanDerWaalsContact CA-CD 3.45Å; S155-Q159 WeakPolarHBondContact O-CG 3.32Å; S155-Q159 PolarHBondContact O-N 2.98Å; L156-Q159 WeakPolarHBondContact O-CB 2.85Å; L156-Q159 PolarHBondContact O-N 2.81Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.32Å; Q159-S162 PolarHBondContact O-N 3.42Å; Q159-S162 PolarHBondContact O-OG 3.36Å; Q159-A163 WeakPolarHBondContact O-CB 3.48Å; Q159-A163 PolarHBondContact O-N 3.27Å; Q159-F173 HydrophobicContact CB-CD1 4.36Å; Q159-F173 HydrophobicContact CB-CD2 4.27Å; Q159-F173 HydrophobicContact CB-CE1 4.32Å; Q159-F173 HydrophobicContact CB-CE2 4.27Å; Q159-F173 HydrophobicContact CB-CG 4.32Å; Q159-F173 HydrophobicContact CB-CZ 4.29Å
160	A	93.6	Very high	91.1	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-42.6	176	0	0	0	0	0	112.2	L156 V157 M158 A163 A169 F173 L174	L156-A160 PolarHBondContact O-N 3.35Å; L156-A160 VanDerWaalsContact O-N 3.07Å; V157-A160 WeakPolarHBondContact O-CB 3.21Å; V157-A160 PolarHBondContact O-N 3.32Å; V157-A160 VanDerWaalsContact O-N 3.12Å; M158-A160 VanDerWaalsContact C-N 3.3Å; M158-A160 PolarHBondContact O-N 3.18Å; A160-A163 PolarHBondContact O-N 3.24Å; A160-A169 HydrophobicContact CB-CB 3.93Å; A160-A169 WeakPolarHBondContact O-CB 3.46Å; A160-F173 HydrophobicContact CB-CB 3.88Å; A160-F173 HydrophobicContact CB-CD2 4.48Å; A160-L174 HydrophobicContact CB-CD1 4.35Å; A160-L174 HydrophobicContact CB-CD2 3.74Å; A160-L174 HydrophobicContact CB-CG 3.68Å
161	I	90.8	Very high	90.7	Very high	63 Å²	63	49.7 Å²	49.7	32%	0.323	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-36.8	179.2	-65.4	166.4	0	0	0	111.7	V157 M158 P595	V157-I161 HydrophobicContact CG1-CD1 3.86Å; V157-I161 HydrophobicContact CG1-CG1 4.42Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å; V157-I161 PolarHBondContact O-N 2.9Å; M158-I161 PolarHBondContact O-N 2.93Å; M158-I161 HydrophobicContact SD-CD1 3.97Å; I161-P595 HydrophobicContact CD1-CB 4.01Å; I161-P595 HydrophobicContact CD1-CG 3.7Å
162	S	87.2	Confident	90.5	Very high	67 Å²	67	53.3 Å²	53.3	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-86.9	-5.3	-179.4	66.1	0	0	0	0	114.4	Y129 M158 Q159 Q164	Y129-S162 WeakPolarHBondContact CD2-OG 3.46Å; M158-S162 WeakPolarHBondContact O-CB 3.46Å; M158-S162 PolarHBondContact O-N 2.99Å; M158-S162 PolarHBondContact O-OG 2.84Å; Q159-S162 PolarHBondContact O-N 3.42Å; Q159-S162 PolarHBondContact O-OG 3.36Å; S162-Q164 PolarHBondContact O-N 2.94Å
163	A	85.7	Confident	90.4	Very high	31 Å²	31	54.5 Å²	54.5	26%	0.256	28%	0.282	S	S	.	.			trans	-68.4	131.8	-175.9	0	0	0	0	0	110.4	Q159 A160 D165 A169 F173	Q159-A163 WeakPolarHBondContact O-CB 3.48Å; Q159-A163 PolarHBondContact O-N 3.27Å; A160-A163 PolarHBondContact O-N 3.24Å; A163-D165 VanDerWaalsContact C-N 3.29Å; A163-A169 HydrophobicContact CB-CB 4.32Å; A163-F173 HydrophobicContact CB-CE2 4.32Å
164	Q	77	Confident	90.3	Very high	208 Å²	208	54.7 Å²	54.7	97%	0.972	28%	0.283	S	S	*	.	S	Bend	trans	-69	-31.4	171.5	-67.5	-178.8	-9.9	0	0	111.8	S162	S162-Q164 PolarHBondContact O-N 2.94Å
165	D	85.1	Confident	90.2	Very high	86 Å²	86	56.2 Å²	56.2	46%	0.46	29%	0.293	S	S	.	.			trans	-97.9	106.3	176.3	-175.6	2.2	0	0	0	110.6	A163 K167 L168 A169	A163-D165 VanDerWaalsContact C-N 3.29Å; D165-K167 PolarHBondContact O-N 3.04Å; D165-K167 VanDerWaalsContact OD1-CB 3.28Å; D165-K167 WeakPolarHBondContact OD1-CB 3.44Å; D165-K167 PolarHBondContact OD1-N 3.06Å; D165-L168 HydrophobicContact CB-CB 4.23Å; D165-L168 WeakPolarHBondContact O-CB 3.26Å; D165-L168 PolarHBondContact O-N 3.12Å; D165-L168 VanDerWaalsContact O-N 3.12Å; D165-A169 PolarHBondContact O-N 3.15Å
166	E	83.2	Confident	90.2	Very high	146 Å²	146	59 Å²	59	68%	0.682	31%	0.308	S	S	*	.	H	α-helix	trans	-59.6	-29.5	176.9	-169.4	175.8	-171.9	0	0	112.4	L168 A169 Q170	E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-A169 WeakPolarHBondContact O-CB 3.39Å; E166-A169 PolarHBondContact O-N 2.88Å; E166-Q170 HydrophobicContact CG-CG 4.45Å; E166-Q170 WeakPolarHBondContact O-CG 3.33Å; E166-Q170 PolarHBondContact O-N 3.33Å
167	K	86.4	Confident	90.3	Very high	156 Å²	156	59 Å²	59	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-66.1	-39.2	176.8	-63.6	179.1	-179.9	175.1	0	111.1	D165 A169 Q170 T171	D165-K167 PolarHBondContact O-N 3.04Å; D165-K167 VanDerWaalsContact OD1-CB 3.28Å; D165-K167 WeakPolarHBondContact OD1-CB 3.44Å; D165-K167 PolarHBondContact OD1-N 3.06Å; K167-A169 VanDerWaalsContact C-N 3.33Å; K167-Q170 PolarHBondContact O-N 3.47Å; K167-T171 VanDerWaalsContact O-CB 3.29Å; K167-T171 WeakPolarHBondContact O-CB 3.36Å; K167-T171 VanDerWaalsContact O-CG2 3.31Å; K167-T171 WeakPolarHBondContact O-CG2 3.38Å; K167-T171 PolarHBondContact O-N 3.45Å; K167-T171 PolarHBondContact O-OG1 3.49Å
168	L	88.1	Confident	90.4	Very high	66 Å²	66	59.5 Å²	59.5	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-38.5	177.5	-167.5	69.2	0	0	0	111.3	D165 E166 M172 F173	D165-L168 HydrophobicContact CB-CB 4.23Å; D165-L168 WeakPolarHBondContact O-CB 3.26Å; D165-L168 PolarHBondContact O-N 3.12Å; D165-L168 VanDerWaalsContact O-N 3.12Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.2Å; L168-M172 HydrophobicContact CD1-CB 4.05Å; L168-M172 HydrophobicContact CD1-CE 3.57Å; L168-M172 HydrophobicContact CD1-SD 3.86Å; L168-M172 HydrophobicContact CD2-CE 4.2Å; L168-M172 HydrophobicContact CG-CE 3.87Å; L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 3.28Å; L168-M172 VanDerWaalsContact O-N 3.11Å; L168-F173 HydrophobicContact CD2-CE2 3.59Å; L168-F173 HydrophobicContact CD2-CZ 3.79Å; L168-F173 HydrophobicContact CG-CD2 4.24Å; L168-F173 HydrophobicContact CG-CE2 3.75Å; L168-F173 HydrophobicContact CG-CZ 4.16Å; L168-F173 PolarHBondContact O-N 3.02Å
169	A	87.5	Confident	90.5	Very high	7 Å²	7	66.9 Å²	66.9	6%	0.058	34%	0.338	C	S	.	.	I	π-helix	trans	-58.1	-50.3	173.2	0	0	0	0	0	111.6	A160 A163 D165 E166 K167 L174	A160-A169 HydrophobicContact CB-CB 3.93Å; A160-A169 WeakPolarHBondContact O-CB 3.46Å; A163-A169 HydrophobicContact CB-CB 4.32Å; D165-A169 PolarHBondContact O-N 3.15Å; E166-A169 WeakPolarHBondContact O-CB 3.39Å; E166-A169 PolarHBondContact O-N 2.88Å; K167-A169 VanDerWaalsContact C-N 3.33Å; A169-L174 WeakPolarHBondContact O-CB 3.38Å; A169-L174 WeakPolarHBondContact O-CG 3.46Å; A169-L174 PolarHBondContact O-N 3.42Å
170	Q	88.3	Confident	90.6	Very high	68 Å²	68	67.3 Å²	67.3	32%	0.318	34%	0.34	S	S	.	.	I	π-helix	trans	-78.6	-30.9	-174.9	-67	-64.4	-7.8	0	0	114.6	E166 K167 P175 R205	E166-Q170 HydrophobicContact CG-CG 4.45Å; E166-Q170 WeakPolarHBondContact O-CG 3.33Å; E166-Q170 PolarHBondContact O-N 3.33Å; K167-Q170 PolarHBondContact O-N 3.47Å; Q170-P175 VanDerWaalsContact O-CD 3.23Å; Q170-P175 WeakPolarHBondContact O-CD 3.24Å; Q170-P175 WeakPolarHBondContact O-CG 3.41Å; Q170-R205 PolarHBondContact NE2-O 3.07Å; Q170-R205 PolarHBondContact OE1-O 2.96Å
171	T	88.7	Confident	90.8	Very high	106 Å²	106	66.8 Å²	66.8	65%	0.65	34%	0.335	S	S	*	.	I	π-helix	trans	-98.7	-21.6	-173.8	61.9	0	0	0	0	114.2	K167	K167-T171 VanDerWaalsContact O-CB 3.29Å; K167-T171 WeakPolarHBondContact O-CB 3.36Å; K167-T171 VanDerWaalsContact O-CG2 3.31Å; K167-T171 WeakPolarHBondContact O-CG2 3.38Å; K167-T171 PolarHBondContact O-N 3.45Å; K167-T171 PolarHBondContact O-OG1 3.49Å
172	M	91.9	Very high	91	Very high	89 Å²	89	66.3 Å²	66.3	44%	0.438	33%	0.332	S	S	.	.	I	π-helix	trans	-123.1	-57	-174.5	-169.8	-178.2	75.9	0	0	112.9	L168 L176	L168-M172 HydrophobicContact CD1-CB 4.05Å; L168-M172 HydrophobicContact CD1-CE 3.57Å; L168-M172 HydrophobicContact CD1-SD 3.86Å; L168-M172 HydrophobicContact CD2-CE 4.2Å; L168-M172 HydrophobicContact CG-CE 3.87Å; L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 3.28Å; L168-M172 VanDerWaalsContact O-N 3.11Å; M172-L176 WeakPolarHBondContact O-CB 3.38Å; M172-L176 PolarHBondContact O-N 3.45Å
173	F	93.7	Very high	91.4	Very high	25 Å²	25	68.1 Å²	68.1	11%	0.11	33%	0.331	C	S	.	.	I	π-helix	trans	-72.4	-56.1	-171	-64.5	-45.9	0	0	0	112.7	L156 Q159 A160 A163 L168 L176 A177	L156-F173 HydrophobicContact CD1-CB 4.11Å; L156-F173 HydrophobicContact CD1-CD1 3.57Å; L156-F173 HydrophobicContact CD1-CE1 4.39Å; L156-F173 HydrophobicContact CD1-CG 4.21Å; L156-F173 WeakPolarHBondContact CD2-O 3.5Å; L156-F173 HydrophobicContact CG-CB 4.39Å; L156-F173 WeakPolarHBondContact CG-O 3.46Å; Q159-F173 HydrophobicContact CB-CD1 4.36Å; Q159-F173 HydrophobicContact CB-CD2 4.27Å; Q159-F173 HydrophobicContact CB-CE1 4.32Å; Q159-F173 HydrophobicContact CB-CE2 4.27Å; Q159-F173 HydrophobicContact CB-CG 4.32Å; Q159-F173 HydrophobicContact CB-CZ 4.29Å; A160-F173 HydrophobicContact CB-CB 3.88Å; A160-F173 HydrophobicContact CB-CD2 4.48Å; A163-F173 HydrophobicContact CB-CE2 4.32Å; L168-F173 HydrophobicContact CD2-CE2 3.59Å; L168-F173 HydrophobicContact CD2-CZ 3.79Å; L168-F173 HydrophobicContact CG-CD2 4.24Å; L168-F173 HydrophobicContact CG-CE2 3.75Å; L168-F173 HydrophobicContact CG-CZ 4.16Å; L168-F173 PolarHBondContact O-N 3.02Å; F173-L176 PolarHBondContact O-N 3.37Å; F173-A177 PolarHBondContact O-N 2.88Å
174	L	95.1	Very high	91.9	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-42	-178.6	-65.3	171	0	0	0	112.9	A160 A169 L176 A177 E178 R205 L206	A160-L174 HydrophobicContact CB-CD1 4.35Å; A160-L174 HydrophobicContact CB-CD2 3.74Å; A160-L174 HydrophobicContact CB-CG 3.68Å; A169-L174 WeakPolarHBondContact O-CB 3.38Å; A169-L174 WeakPolarHBondContact O-CG 3.46Å; A169-L174 PolarHBondContact O-N 3.42Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 2.92Å; L174-A177 WeakPolarHBondContact O-CB 3.45Å; L174-A177 PolarHBondContact O-N 2.79Å; L174-A177 VanDerWaalsContact O-N 3.08Å; L174-E178 PolarHBondContact O-N 2.93Å; L174-R205 HydrophobicContact CD1-CB 3.88Å; L174-R205 HydrophobicContact CD2-CB 4.18Å; L174-L206 HydrophobicContact CB-CD1 4.38Å; L174-L206 HydrophobicContact CB-CD2 3.37Å; L174-L206 HydrophobicContact CB-CG 3.74Å; L174-L206 HydrophobicContact CD1-CD2 4.28Å; L174-L206 HydrophobicContact CD1-CG 4.49Å; L174-L206 HydrophobicContact CG-CD2 4.47Å
175	P	96	Very high	92.7	Very high	31 Å²	31	59 Å²	59	20%	0.201	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-29.5	175.6	-24.5	36.2	0	0	0	113.6	Q170 R179 L206	Q170-P175 VanDerWaalsContact O-CD 3.23Å; Q170-P175 WeakPolarHBondContact O-CD 3.24Å; Q170-P175 WeakPolarHBondContact O-CG 3.41Å; P175-R179 WeakPolarHBondContact O-CG 3.46Å; P175-R179 PolarHBondContact O-N 3.46Å; P175-R179 VanDerWaalsContact O-N 3.13Å; P175-R179 PolarHBondContact O-NE 3.32Å; P175-L206 HydrophobicContact CG-CD2 3.94Å
176	L	96.1	Very high	93.1	Very high	59 Å²	59	62.6 Å²	62.6	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-70.1	-39.8	171.6	-179.9	58.2	0	0	0	110.9	L156 M172 F173 L174 R179 M180	L156-L176 HydrophobicContact CD2-CB 3.79Å; L156-L176 HydrophobicContact CD2-CD2 3.88Å; L156-L176 HydrophobicContact CD2-CG 3.64Å; M172-L176 WeakPolarHBondContact O-CB 3.38Å; M172-L176 PolarHBondContact O-N 3.45Å; F173-L176 PolarHBondContact O-N 3.37Å; L174-L176 VanDerWaalsContact C-N 3.29Å; L174-L176 PolarHBondContact O-N 2.92Å; L176-R179 PolarHBondContact O-N 3.02Å; L176-M180 HydrophobicContact CD1-CG 4.49Å; L176-M180 HydrophobicContact CG-SD 4.46Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.37Å; L176-M180 PolarHBondContact O-N 3.45Å
177	A	97.1	Very high	93.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-44.6	178.6	0	0	0	0	0	110.3	V153 L156 V157 F173 L174 M180 V181 I202	V153-A177 HydrophobicContact CG1-CB 4.21Å; L156-A177 HydrophobicContact CB-CB 4.47Å; L156-A177 HydrophobicContact CD2-CB 3.9Å; L156-A177 HydrophobicContact CG-CB 4.27Å; V157-A177 HydrophobicContact CG2-CB 4.31Å; F173-A177 PolarHBondContact O-N 2.88Å; L174-A177 WeakPolarHBondContact O-CB 3.45Å; L174-A177 PolarHBondContact O-N 2.79Å; L174-A177 VanDerWaalsContact O-N 3.08Å; A177-M180 WeakPolarHBondContact O-CB 3.28Å; A177-M180 PolarHBondContact O-N 3.02Å; A177-V181 WeakPolarHBondContact O-CG2 3.46Å; A177-V181 PolarHBondContact O-N 3.32Å; A177-I202 HydrophobicContact CB-CD1 3.95Å; A177-I202 HydrophobicContact CB-CG1 4.28Å; A177-I202 HydrophobicContact CB-CG2 4.35Å
178	E	97.6	Very high	93.8	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-54	173.5	178.2	-175.6	-141.2	0	0	111.5	L174 M180 V181 E182 Y199 I202 L203 L206 K208	L174-E178 PolarHBondContact O-N 2.93Å; E178-M180 PolarHBondContact O-N 3.43Å; E178-V181 PolarHBondContact O-N 2.94Å; E178-E182 HydrophobicContact CG-CG 4.25Å; E178-E182 PolarHBondContact O-N 2.85Å; E178-Y199 HydrophobicContact CG-CE2 4.48Å; E178-I202 HydrophobicContact CB-CG2 3.88Å; E178-L203 HydrophobicContact CG-CD2 4.33Å; E178-L203 VanDerWaalsContact OE1-CD2 3.31Å; E178-L203 WeakPolarHBondContact OE1-CD2 3.47Å; E178-L206 HydrophobicContact CB-CD1 3.85Å; E178-L206 HydrophobicContact CG-CD1 4.29Å; E178-K208 WeakPolarHBondContact OE1-CD 3.31Å; E178-K208 WeakPolarHBondContact OE1-CE 3.46Å; E178-K208 IonicContact OE1-NZ 2.72Å; E178-K208 PolarHBondContact OE1-NZ 3.47Å; E178-K208 IonicContact OE2-NZ 3.39Å; E178-K208 PolarHBondContact OE2-NZ 3.29Å
179	R	97.3	Very high	94	Very high	157 Å²	157	61.2 Å²	61.2	59%	0.592	29%	0.291	S	S	*	.	H	α-helix	trans	-58.4	-34.8	179.2	-75.3	-174.6	-64.5	165.2	-2.1	113	P175 L176 K183	P175-R179 WeakPolarHBondContact O-CG 3.46Å; P175-R179 PolarHBondContact O-N 3.46Å; P175-R179 VanDerWaalsContact O-N 3.13Å; P175-R179 PolarHBondContact O-NE 3.32Å; L176-R179 PolarHBondContact O-N 3.02Å; R179-K183 PolarHBondContact O-N 2.9Å; R179-K183 VanDerWaalsContact O-N 3.16Å
180	M	96.9	Very high	94.2	Very high	21 Å²	21	61.3 Å²	61.3	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-44.6	175.2	-75.7	-178.5	70.1	0	0	111.5	M137 Y149 V153 L156 L176 A177 E178	M137-M180 HydrophobicContact CE-CE 4.24Å; M137-M180 HydrophobicContact SD-CE 3.88Å; Y149-M180 HydrophobicContact CD2-CE 4.5Å; Y149-M180 HydrophobicContact CE1-CB 4.1Å; Y149-M180 HydrophobicContact CE1-CE 4.14Å; Y149-M180 WeakPolarHBondContact CE1-O 3.15Å; Y149-M180 HydrophobicContact CE2-CE 3.81Å; Y149-M180 VanDerWaalsContact OH-CA 3.28Å; Y149-M180 WeakPolarHBondContact OH-CA 3.4Å; Y149-M180 WeakPolarHBondContact OH-CB 3.34Å; Y149-M180 WeakPolarHBondContact OH-CG 3.36Å; Y149-M180 PolarHBondContact OH-O 2.96Å; Y149-M180 VanDerWaalsContact OH-O 3.07Å; V153-M180 HydrophobicContact CG2-CB 3.97Å; V153-M180 HydrophobicContact CG2-CE 3.89Å; V153-M180 HydrophobicContact CG2-SD 4.44Å; L156-M180 HydrophobicContact CD2-SD 4.32Å; L176-M180 HydrophobicContact CD1-CG 4.49Å; L176-M180 HydrophobicContact CG-SD 4.46Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.37Å; L176-M180 PolarHBondContact O-N 3.45Å; A177-M180 WeakPolarHBondContact O-CB 3.28Å; A177-M180 PolarHBondContact O-N 3.02Å; E178-M180 PolarHBondContact O-N 3.43Å
181	V	96.9	Very high	94.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-43.3	178.2	-179	0	0	0	0	111.6	F150 V153 A177 E178 K183 M184 V185 I190 Y199 I202	F150-V181 HydrophobicContact CE1-CG1 4.31Å; F150-V181 HydrophobicContact CE1-CG2 4.04Å; V153-V181 HydrophobicContact CG1-CG2 3.62Å; V153-V181 HydrophobicContact CG2-CG2 4.26Å; A177-V181 WeakPolarHBondContact O-CG2 3.46Å; A177-V181 PolarHBondContact O-N 3.32Å; E178-V181 PolarHBondContact O-N 2.94Å; V181-K183 PolarHBondContact O-N 3.18Å; V181-M184 WeakPolarHBondContact O-CA 3.37Å; V181-M184 WeakPolarHBondContact O-CB 3.28Å; V181-M184 PolarHBondContact O-N 3.41Å; V181-V185 HydrophobicContact CG1-CG2 4.23Å; V181-V185 WeakPolarHBondContact O-CG2 3.47Å; V181-V185 PolarHBondContact O-N 2.94Å; V181-I190 HydrophobicContact CG1-CD1 4.46Å; V181-Y199 HydrophobicContact CB-CD2 4.02Å; V181-Y199 HydrophobicContact CB-CG 4.46Å; V181-Y199 HydrophobicContact CG1-CD1 4.17Å; V181-Y199 HydrophobicContact CG1-CD2 3.58Å; V181-Y199 HydrophobicContact CG1-CE2 4.27Å; V181-Y199 HydrophobicContact CG1-CG 3.53Å; V181-I202 HydrophobicContact CG2-CD1 3.77Å
182	E	95.6	Very high	94.2	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-36.3	175.6	-78.8	-172.4	-175.7	0	0	112.7	E178 M184 V185 K186	E178-E182 HydrophobicContact CG-CG 4.25Å; E178-E182 PolarHBondContact O-N 2.85Å; E182-M184 VanDerWaalsContact C-N 3.32Å; E182-V185 PolarHBondContact O-N 3.35Å; E182-K186 WeakPolarHBondContact O-CB 3.5Å; E182-K186 VanDerWaalsContact O-CG 3.31Å; E182-K186 WeakPolarHBondContact O-CG 3.45Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 IonicContact OE2-NZ 2.76Å; E182-K186 PolarHBondContact OE2-NZ 3.23Å
183	K	95.8	Very high	94.3	Very high	106 Å²	106	59 Å²	59	46%	0.461	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-45.8	174.1	-179.8	-175	170.9	-177.2	0	110.6	R179 V181 V185 K186 E187	R179-K183 PolarHBondContact O-N 2.9Å; R179-K183 VanDerWaalsContact O-N 3.16Å; V181-K183 PolarHBondContact O-N 3.18Å; K183-V185 VanDerWaalsContact C-N 3.34Å; K183-K186 PolarHBondContact O-N 3.15Å; K183-E187 WeakPolarHBondContact CE-OE1 3.43Å; K183-E187 IonicContact NZ-OE1 3.87Å; K183-E187 WeakPolarHBondContact O-CB 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.58Å
184	M	95.4	Very high	94.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-33.1	178.1	-66	-57.2	-174.6	0	0	112.5	Y149 F150 V181 E182 E187 E188 K189 I190	Y149-M184 HydrophobicContact CD1-CE 3.48Å; Y149-M184 VanDerWaalsContact CD1-CE 3.48Å; Y149-M184 HydrophobicContact CD1-CG 3.87Å; Y149-M184 HydrophobicContact CD2-CE 3.49Å; Y149-M184 VanDerWaalsContact CD2-CE 3.49Å; Y149-M184 HydrophobicContact CE1-CE 3.57Å; Y149-M184 HydrophobicContact CE1-CG 3.58Å; Y149-M184 HydrophobicContact CE1-SD 4.44Å; Y149-M184 HydrophobicContact CE2-CE 3.59Å; Y149-M184 HydrophobicContact CG-CE 3.43Å; Y149-M184 VanDerWaalsContact CG-CE 3.43Å; F150-M184 HydrophobicContact CZ-CB 4.13Å; F150-M184 HydrophobicContact CZ-CG 4.16Å; V181-M184 WeakPolarHBondContact O-CA 3.37Å; V181-M184 WeakPolarHBondContact O-CB 3.28Å; V181-M184 PolarHBondContact O-N 3.41Å; E182-M184 VanDerWaalsContact C-N 3.32Å; M184-E187 PolarHBondContact O-N 2.93Å; M184-E188 PolarHBondContact O-N 2.69Å; M184-K189 PolarHBondContact O-N 3.29Å; M184-K189 HydrophobicContact SD-CB 4.08Å; M184-K189 HydrophobicContact SD-CD 4.11Å; M184-I190 HydrophobicContact CB-CD1 3.81Å
185	V	94.3	Very high	94.2	Very high	46 Å²	46	59 Å²	59	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-48.4	172.6	176.8	0	0	0	0	110.6	V181 E182 K183 E187 E188 I190 Y199 L220	V181-V185 HydrophobicContact CG1-CG2 4.23Å; V181-V185 WeakPolarHBondContact O-CG2 3.47Å; V181-V185 PolarHBondContact O-N 2.94Å; E182-V185 PolarHBondContact O-N 3.35Å; K183-V185 VanDerWaalsContact C-N 3.34Å; V185-E187 VanDerWaalsContact C-N 3.28Å; V185-E187 PolarHBondContact O-N 3.44Å; V185-E188 PolarHBondContact O-N 3.26Å; V185-I190 HydrophobicContact CB-CG1 4.46Å; V185-I190 HydrophobicContact CG2-CD1 4.19Å; V185-I190 HydrophobicContact CG2-CG1 3.82Å; V185-Y199 HydrophobicContact CG2-CD1 4.23Å; V185-Y199 HydrophobicContact CG2-CE1 4.05Å; V185-L220 HydrophobicContact CG1-CD1 4.21Å; V185-L220 HydrophobicContact CG2-CD1 4.25Å
186	K	93.9	Very high	94.2	Very high	160 Å²	160	57.5 Å²	57.5	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-64.4	-30.8	178.2	-72.9	167.2	-176.8	159.6	0	113.1	E182 K183 E188	E182-K186 WeakPolarHBondContact O-CB 3.5Å; E182-K186 VanDerWaalsContact O-CG 3.31Å; E182-K186 WeakPolarHBondContact O-CG 3.45Å; E182-K186 PolarHBondContact O-N 3.42Å; E182-K186 IonicContact OE2-NZ 2.76Å; E182-K186 PolarHBondContact OE2-NZ 3.23Å; K183-K186 PolarHBondContact O-N 3.15Å; K186-E188 VanDerWaalsContact C-N 3.28Å
187	E	93	Very high	94.1	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.6	175.5	-69.5	179.5	-164.3	0	0	113.2	K183 M184 V185 K189	K183-E187 WeakPolarHBondContact CE-OE1 3.43Å; K183-E187 IonicContact NZ-OE1 3.87Å; K183-E187 WeakPolarHBondContact O-CB 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.58Å; M184-E187 PolarHBondContact O-N 2.93Å; V185-E187 VanDerWaalsContact C-N 3.28Å; V185-E187 PolarHBondContact O-N 3.44Å; E187-K189 HydrophobicContact CB-CD 4Å; E187-K189 HydrophobicContact CB-CG 4.05Å; E187-K189 PolarHBondContact O-N 3.17Å; E187-K189 WeakPolarHBondContact OE2-CD 3.47Å; E187-K189 WeakPolarHBondContact OE2-CE 3.32Å; E187-K189 IonicContact OE2-NZ 3.46Å; E187-K189 PolarHBondContact OE2-NZ 2.91Å
188	E	90.3	Very high	94	Very high	179 Å²	179	55.7 Å²	55.7	84%	0.836	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	30.6	-175.3	-59.9	-176.2	170.2	0	0	113.9	M184 V185 K186	M184-E188 PolarHBondContact O-N 2.69Å; V185-E188 PolarHBondContact O-N 3.26Å; K186-E188 VanDerWaalsContact C-N 3.28Å
189	K	92	Very high	94	Very high	82 Å²	82	56.2 Å²	56.2	36%	0.357	26%	0.263	S	S	.	.			trans	-99.8	16.6	-177.8	-69.6	179.4	-175.4	165.7	0	114.2	N146 M184 E187 E191	N146-K189 PolarHBondContact ND2-O 2.94Å; M184-K189 PolarHBondContact O-N 3.29Å; M184-K189 HydrophobicContact SD-CB 4.08Å; M184-K189 HydrophobicContact SD-CD 4.11Å; E187-K189 HydrophobicContact CB-CD 4Å; E187-K189 HydrophobicContact CB-CG 4.05Å; E187-K189 PolarHBondContact O-N 3.17Å; E187-K189 WeakPolarHBondContact OE2-CD 3.47Å; E187-K189 WeakPolarHBondContact OE2-CE 3.32Å; E187-K189 IonicContact OE2-NZ 3.46Å; E187-K189 PolarHBondContact OE2-NZ 2.91Å; K189-E191 PolarHBondContact O-N 3.43Å
190	I	92.4	Very high	93.9	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.051	24%	0.236	C	C	.	.			trans	-83.3	105	168.9	-57.6	-60.2	0	0	0	107.3	F150 V181 M184 V185 E195 V196 L220 K223	F150-I190 HydrophobicContact CE1-CD1 4.24Å; F150-I190 HydrophobicContact CE2-CD1 4.44Å; F150-I190 HydrophobicContact CZ-CD1 3.54Å; V181-I190 HydrophobicContact CG1-CD1 4.46Å; M184-I190 HydrophobicContact CB-CD1 3.81Å; V185-I190 HydrophobicContact CB-CG1 4.46Å; V185-I190 HydrophobicContact CG2-CD1 4.19Å; V185-I190 HydrophobicContact CG2-CG1 3.82Å; I190-E195 WeakPolarHBondContact CA-OE2 3.34Å; I190-E195 HydrophobicContact CD1-CB 4.23Å; I190-E195 HydrophobicContact CG2-CB 3.98Å; I190-V196 HydrophobicContact CG2-CG2 3.77Å; I190-L220 HydrophobicContact CB-CD2 4.24Å; I190-L220 HydrophobicContact CG2-CD2 4.09Å; I190-K223 PolarHBondContact O-NZ 3Å
191	E	86.7	Confident	93.9	Very high	140 Å²	140	48.2 Å²	48.2	65%	0.654	23%	0.233	S	C	*	.			trans	-101.5	-32.2	-173.9	-69	174.2	-176.5	0	0	112	N146 K189 E195	N146-E191 PolarHBondContact ND2-OE1 3.19Å; N146-E191 VanDerWaalsContact ND2-OE1 3.1Å; N146-E191 PolarHBondContact ND2-OE2 3.19Å; N146-E191 VanDerWaalsContact ND2-OE2 3.1Å; K189-E191 PolarHBondContact O-N 3.43Å; E191-E195 PolarHBondContact N-OE2 3.33Å
192	A	90.7	Very high	93.9	Very high	41 Å²	41	48.2 Å²	48.2	34%	0.339	23%	0.233	S	C	.	.	S	Bend	trans	-119.8	155.5	-168.3	0	0	0	0	0	114	A194 E195	A192-A194 VanDerWaalsContact C-N 3.3Å; A192-A194 PolarHBondContact O-N 3.01Å; A192-E195 HydrophobicContact CB-CG 4.32Å; A192-E195 PolarHBondContact N-OE2 2.99Å; A192-E195 WeakPolarHBondContact O-CB 3.41Å; A192-E195 PolarHBondContact O-N 3.48Å
193	E	92.6	Very high	93.9	Very high	34 Å²	34	45.7 Å²	45.7	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-41.3	175.3	-176.4	173.3	168	0	0	112.4	E195 V196 Q197 K223 L224 T225 S226	E193-E195 PolarHBondContact O-N 3.33Å; E193-E195 VanDerWaalsContact O-N 3.15Å; E193-V196 WeakPolarHBondContact O-CB 3.28Å; E193-V196 PolarHBondContact O-N 2.97Å; E193-Q197 HydrophobicContact CG-CG 4.25Å; E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 2.88Å; E193-Q197 PolarHBondContact OE1-NE2 2.8Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.13Å; E193-K223 WeakPolarHBondContact CG-O 3.45Å; E193-L224 HydrophobicContact CG-CD2 3.92Å; E193-T225 PolarHBondContact OE2-N 3.06Å; E193-S226 WeakPolarHBondContact OE1-CB 3.41Å; E193-S226 PolarHBondContact OE1-N 3.47Å; E193-S226 PolarHBondContact OE1-OG 2.88Å; E193-S226 WeakPolarHBondContact OE2-CB 3.35Å; E193-S226 PolarHBondContact OE2-N 3.33Å; E193-S226 PolarHBondContact OE2-OG 3.25Å
194	A	93.3	Very high	93.9	Very high	18 Å²	18	42.6 Å²	42.6	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-53.5	-35.2	178.5	0	0	0	0	0	113.4	A192 L198 G589 F591	A192-A194 VanDerWaalsContact C-N 3.3Å; A192-A194 PolarHBondContact O-N 3.01Å; A194-L198 WeakPolarHBondContact O-CB 3.27Å; A194-L198 PolarHBondContact O-N 3.47Å; A194-G589 WeakPolarHBondContact CB-O 3.26Å; A194-F591 HydrophobicContact CB-CD2 4.08Å; A194-F591 HydrophobicContact CB-CE2 4.15Å
195	E	95	Very high	93.7	Very high	10 Å²	10	47 Å²	47	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-74.6	-37.3	-178.1	-59.5	167.3	164.3	0	0	110.7	F150 I190 E191 A192 E193 L198 Y199	F150-E195 HydrophobicContact CD1-CB 4.41Å; F150-E195 HydrophobicContact CD1-CG 4.23Å; F150-E195 HydrophobicContact CD2-CG 3.64Å; F150-E195 WeakPolarHBondContact CD2-OE1 3.4Å; F150-E195 HydrophobicContact CE1-CB 4.02Å; F150-E195 HydrophobicContact CE1-CG 4.15Å; F150-E195 HydrophobicContact CE2-CB 4.19Å; F150-E195 VanDerWaalsContact CE2-CD 3.42Å; F150-E195 HydrophobicContact CE2-CG 3.6Å; F150-E195 WeakPolarHBondContact CE2-OE1 3.41Å; F150-E195 HydrophobicContact CG-CG 3.99Å; F150-E195 HydrophobicContact CZ-CB 3.93Å; F150-E195 HydrophobicContact CZ-CG 3.87Å; I190-E195 WeakPolarHBondContact CA-OE2 3.34Å; I190-E195 HydrophobicContact CD1-CB 4.23Å; I190-E195 HydrophobicContact CG2-CB 3.98Å; E191-E195 PolarHBondContact N-OE2 3.33Å; A192-E195 HydrophobicContact CB-CG 4.32Å; A192-E195 PolarHBondContact N-OE2 2.99Å; A192-E195 WeakPolarHBondContact O-CB 3.41Å; A192-E195 PolarHBondContact O-N 3.48Å; E193-E195 PolarHBondContact O-N 3.33Å; E193-E195 VanDerWaalsContact O-N 3.15Å; E195-L198 PolarHBondContact O-N 3.3Å; E195-Y199 WeakPolarHBondContact O-CB 3.44Å; E195-Y199 PolarHBondContact O-N 3.29Å
196	V	95	Very high	93.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-43.5	172.6	-176.4	0	0	0	0	110.5	I190 E193 L198 Y199 F200 V215 L220 K223 L224	I190-V196 HydrophobicContact CG2-CG2 3.77Å; E193-V196 WeakPolarHBondContact O-CB 3.28Å; E193-V196 PolarHBondContact O-N 2.97Å; V196-L198 PolarHBondContact O-N 3.45Å; V196-Y199 PolarHBondContact O-N 2.79Å; V196-F200 WeakPolarHBondContact O-CB 3.45Å; V196-F200 PolarHBondContact O-N 3.5Å; V196-V215 HydrophobicContact CG1-CG1 4.28Å; V196-L220 HydrophobicContact CG1-CB 4.1Å; V196-L220 HydrophobicContact CG2-CB 4.19Å; V196-L220 HydrophobicContact CG2-CD2 4.43Å; V196-K223 HydrophobicContact CG2-CB 4.32Å; V196-K223 HydrophobicContact CG2-CD 4.38Å; V196-L224 HydrophobicContact CB-CD2 4.06Å; V196-L224 HydrophobicContact CG1-CD1 4.34Å; V196-L224 HydrophobicContact CG1-CD2 3.83Å; V196-L224 HydrophobicContact CG1-CG 4.04Å
197	Q	94.2	Very high	93.6	Very high	20 Å²	20	41 Å²	41	9%	0.093	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-44	175.8	-67.9	179	-12.1	0	0	111.6	E193 F200 M201 L224	E193-Q197 HydrophobicContact CG-CG 4.25Å; E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 2.88Å; E193-Q197 PolarHBondContact OE1-NE2 2.8Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.13Å; Q197-F200 PolarHBondContact O-N 2.92Å; Q197-M201 WeakPolarHBondContact O-CB 3.39Å; Q197-M201 PolarHBondContact O-N 3Å; Q197-L224 HydrophobicContact CG-CD2 3.72Å
198	L	96.1	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-40.2	175.4	177.1	54.5	0	0	0	111.7	F150 V153 M154 V157 A194 E195 V196 M201 I202 F591	F150-L198 HydrophobicContact CB-CD2 4.24Å; F150-L198 HydrophobicContact CD1-CD2 3.88Å; V153-L198 HydrophobicContact CB-CD2 4.21Å; V153-L198 HydrophobicContact CG1-CD2 3.93Å; V153-L198 HydrophobicContact CG1-CG 4.23Å; M154-L198 HydrophobicContact CB-CD2 4.2Å; M154-L198 HydrophobicContact SD-CD1 3.68Å; V157-L198 HydrophobicContact CG2-CD1 4.14Å; A194-L198 WeakPolarHBondContact O-CB 3.27Å; A194-L198 PolarHBondContact O-N 3.47Å; E195-L198 PolarHBondContact O-N 3.3Å; V196-L198 PolarHBondContact O-N 3.45Å; L198-M201 HydrophobicContact CD1-CE 3.31Å; L198-M201 PolarHBondContact O-N 3.25Å; L198-I202 HydrophobicContact CD1-CD1 4.09Å; L198-I202 HydrophobicContact CD1-CG1 4.32Å; L198-I202 HydrophobicContact CG-CD1 4.12Å; L198-I202 WeakPolarHBondContact O-CD1 3.31Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.39Å; L198-I202 PolarHBondContact O-N 3.4Å; L198-F591 HydrophobicContact CB-CB 4.31Å; L198-F591 HydrophobicContact CB-CD2 3.94Å; L198-F591 HydrophobicContact CB-CG 4.46Å; L198-F591 HydrophobicContact CD1-CB 4.44Å; L198-F591 HydrophobicContact CD2-CD2 3.73Å; L198-F591 HydrophobicContact CD2-CE2 4.02Å; L198-F591 HydrophobicContact CD2-CG 4.1Å; L198-F591 HydrophobicContact CG-CD2 4.41Å
199	Y	96.9	Very high	94	Very high	22 Å²	22	32.7 Å²	32.7	9%	0.086	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-48.2	175.8	-170.1	-156.5	0	0	0	111.7	E178 V181 V185 E195 V196 M201 I202 L203 V215 L220	E178-Y199 HydrophobicContact CG-CE2 4.48Å; V181-Y199 HydrophobicContact CB-CD2 4.02Å; V181-Y199 HydrophobicContact CB-CG 4.46Å; V181-Y199 HydrophobicContact CG1-CD1 4.17Å; V181-Y199 HydrophobicContact CG1-CD2 3.58Å; V181-Y199 HydrophobicContact CG1-CE2 4.27Å; V181-Y199 HydrophobicContact CG1-CG 3.53Å; V185-Y199 HydrophobicContact CG2-CD1 4.23Å; V185-Y199 HydrophobicContact CG2-CE1 4.05Å; E195-Y199 WeakPolarHBondContact O-CB 3.44Å; E195-Y199 PolarHBondContact O-N 3.29Å; V196-Y199 PolarHBondContact O-N 2.79Å; Y199-M201 VanDerWaalsContact C-N 3.34Å; Y199-M201 PolarHBondContact O-N 3.41Å; Y199-I202 WeakPolarHBondContact O-CB 3.33Å; Y199-I202 PolarHBondContact O-N 3.42Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; Y199-L203 HydrophobicContact CD1-CD1 4.43Å; Y199-L203 HydrophobicContact CD2-CD1 4.02Å; Y199-L203 HydrophobicContact CD2-CG 3.99Å; Y199-L203 HydrophobicContact CE1-CD1 4.11Å; Y199-L203 HydrophobicContact CE2-CD1 3.66Å; Y199-L203 HydrophobicContact CE2-CD2 3.87Å; Y199-L203 HydrophobicContact CE2-CG 3.69Å; Y199-L203 HydrophobicContact CG-CD1 4.39Å; Y199-L203 PolarHBondContact O-N 3.44Å; Y199-V215 HydrophobicContact CD1-CG1 3.92Å; Y199-V215 HydrophobicContact CD1-CG2 3.81Å; Y199-V215 HydrophobicContact CE1-CG1 4.33Å; Y199-V215 HydrophobicContact CE1-CG2 3.37Å; Y199-L220 HydrophobicContact CD1-CD1 4.33Å
200	F	95.7	Very high	94.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-46.9	176.1	179	-97	0	0	0	111.6	V196 Q197 I202 L203 E204 A212 V216 K234 M237 M238	V196-F200 WeakPolarHBondContact O-CB 3.45Å; V196-F200 PolarHBondContact O-N 3.5Å; Q197-F200 PolarHBondContact O-N 2.92Å; F200-I202 VanDerWaalsContact C-N 3.28Å; F200-I202 PolarHBondContact O-N 2.92Å; F200-L203 PolarHBondContact O-N 3.46Å; F200-E204 VanDerWaalsContact O-CB 3.23Å; F200-E204 WeakPolarHBondContact O-CB 3.4Å; F200-E204 PolarHBondContact O-N 2.89Å; F200-A212 HydrophobicContact CD2-CB 4.05Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; F200-V216 HydrophobicContact CD2-CG2 3.31Å; F200-V216 HydrophobicContact CE2-CG2 3.48Å; F200-V216 VanDerWaalsContact CE2-CG2 3.48Å; F200-V216 HydrophobicContact CG-CG2 4.24Å; F200-K234 HydrophobicContact CD1-CD 3.88Å; F200-K234 HydrophobicContact CD1-CG 4.43Å; F200-K234 HydrophobicContact CE1-CB 4.21Å; F200-K234 HydrophobicContact CE1-CD 3.82Å; F200-K234 HydrophobicContact CE1-CG 3.86Å; F200-K234 HydrophobicContact CE2-CB 4.1Å; F200-K234 HydrophobicContact CG-CD 4.27Å; F200-K234 HydrophobicContact CZ-CB 3.74Å; F200-K234 HydrophobicContact CZ-CD 4.18Å; F200-K234 HydrophobicContact CZ-CG 3.92Å; F200-M237 HydrophobicContact CE1-CE 3.44Å; F200-M237 VanDerWaalsContact CE1-CE 3.44Å; F200-M237 HydrophobicContact CZ-CE 3.52Å; F200-M238 HydrophobicContact CE2-CE 4.37Å; F200-M238 HydrophobicContact CE2-CG 3.87Å; F200-M238 HydrophobicContact CE2-SD 4.12Å; F200-M238 HydrophobicContact CZ-CE 3.84Å; F200-M238 HydrophobicContact CZ-CG 4.1Å; F200-M238 HydrophobicContact CZ-SD 4.19Å
201	M	95.6	Very high	94.3	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.044	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-36.4	176.8	-179.9	179.5	53.9	0	0	112.5	M154 V157 Q197 L198 Y199 R205 P595	M154-M201 HydrophobicContact CE-CE 3.96Å; M154-M201 HydrophobicContact SD-CE 3.64Å; V157-M201 HydrophobicContact CG1-CE 4.05Å; Q197-M201 WeakPolarHBondContact O-CB 3.39Å; Q197-M201 PolarHBondContact O-N 3Å; L198-M201 HydrophobicContact CD1-CE 3.31Å; L198-M201 PolarHBondContact O-N 3.25Å; Y199-M201 VanDerWaalsContact C-N 3.34Å; Y199-M201 PolarHBondContact O-N 3.41Å; M201-R205 WeakPolarHBondContact O-CB 3.41Å; M201-R205 VanDerWaalsContact O-CG 3.25Å; M201-R205 WeakPolarHBondContact O-CG 3.46Å; M201-R205 PolarHBondContact O-N 2.94Å; M201-R205 VanDerWaalsContact O-N 3.08Å; M201-P595 HydrophobicContact SD-CG 4.19Å
202	I	97.1	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-49.5	177	-70	160	0	0	0	110.7	V153 V157 A177 E178 V181 L198 Y199 F200 E204 R205 L206	V153-I202 HydrophobicContact CG1-CD1 3.59Å; V157-I202 HydrophobicContact CG2-CD1 4.07Å; V157-I202 HydrophobicContact CG2-CG1 3.59Å; A177-I202 HydrophobicContact CB-CD1 3.95Å; A177-I202 HydrophobicContact CB-CG1 4.28Å; A177-I202 HydrophobicContact CB-CG2 4.35Å; E178-I202 HydrophobicContact CB-CG2 3.88Å; V181-I202 HydrophobicContact CG2-CD1 3.77Å; L198-I202 HydrophobicContact CD1-CD1 4.09Å; L198-I202 HydrophobicContact CD1-CG1 4.32Å; L198-I202 HydrophobicContact CG-CD1 4.12Å; L198-I202 WeakPolarHBondContact O-CD1 3.31Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.39Å; L198-I202 PolarHBondContact O-N 3.4Å; Y199-I202 WeakPolarHBondContact O-CB 3.33Å; Y199-I202 PolarHBondContact O-N 3.42Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; F200-I202 VanDerWaalsContact C-N 3.28Å; F200-I202 PolarHBondContact O-N 2.92Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 3.31Å; I202-R205 PolarHBondContact O-N 3.35Å; I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 WeakPolarHBondContact O-CG 3.26Å; I202-L206 PolarHBondContact O-N 3.49Å
203	L	96.5	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-41.8	179.6	-66.9	173.2	0	0	0	111.5	E178 Y199 F200 R205 L206 G207 K208 E211 A212 V215	E178-L203 HydrophobicContact CG-CD2 4.33Å; E178-L203 VanDerWaalsContact OE1-CD2 3.31Å; E178-L203 WeakPolarHBondContact OE1-CD2 3.47Å; Y199-L203 HydrophobicContact CD1-CD1 4.43Å; Y199-L203 HydrophobicContact CD2-CD1 4.02Å; Y199-L203 HydrophobicContact CD2-CG 3.99Å; Y199-L203 HydrophobicContact CE1-CD1 4.11Å; Y199-L203 HydrophobicContact CE2-CD1 3.66Å; Y199-L203 HydrophobicContact CE2-CD2 3.87Å; Y199-L203 HydrophobicContact CE2-CG 3.69Å; Y199-L203 HydrophobicContact CG-CD1 4.39Å; Y199-L203 PolarHBondContact O-N 3.44Å; F200-L203 PolarHBondContact O-N 3.46Å; L203-R205 PolarHBondContact O-N 3.04Å; L203-L206 PolarHBondContact O-N 3.31Å; L203-G207 PolarHBondContact O-N 3.19Å; L203-K208 HydrophobicContact CB-CB 4.46Å; L203-K208 HydrophobicContact CD2-CB 4.15Å; L203-K208 HydrophobicContact CD2-CD 4.15Å; L203-K208 PolarHBondContact O-N 3.48Å; L203-E211 HydrophobicContact CD1-CB 4.31Å; L203-E211 HydrophobicContact CD2-CB 4.22Å; L203-A212 HydrophobicContact CB-CB 3.74Å; L203-A212 HydrophobicContact CD1-CB 4.31Å; L203-V215 HydrophobicContact CD1-CB 4.48Å; L203-V215 HydrophobicContact CD1-CG2 3.78Å
204	E	94.5	Very high	95.1	Very high	40 Å²	40	30.3 Å²	30.3	19%	0.187	16%	0.163	C	C	.	.	H	α-helix	trans	-56.7	-48	174.5	-175.2	-167.1	-179.1	0	0	111.5	F200 I202 L206 G207 M237 M238 R241	F200-E204 VanDerWaalsContact O-CB 3.23Å; F200-E204 WeakPolarHBondContact O-CB 3.4Å; F200-E204 PolarHBondContact O-N 2.89Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 3.31Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.42Å; E204-G207 PolarHBondContact O-N 3.45Å; E204-G207 VanDerWaalsContact O-N 3.11Å; E204-M237 HydrophobicContact CG-CE 4.32Å; E204-M237 WeakPolarHBondContact OE1-CE 3.39Å; E204-M238 HydrophobicContact CG-CE 4.3Å; E204-R241 IonicContact OE1-CZ 3.6Å; E204-R241 IonicContact OE1-NH1 3.06Å; E204-R241 PolarHBondContact OE1-NH1 2.9Å; E204-R241 VanDerWaalsContact OE1-NH1 3.13Å; E204-R241 IonicContact OE1-NH2 3.57Å; E204-R241 PolarHBondContact OE1-NH2 3.33Å
205	R	92	Very high	95.1	Very high	96 Å²	96	30.2 Å²	30.2	36%	0.362	16%	0.16	S	C	.	.	H	α-helix	trans	-70.1	-27.7	-179.9	-74.2	179.7	178	-75.2	-3.6	113.6	Q170 L174 M201 I202 L203 G207	Q170-R205 PolarHBondContact NE2-O 3.07Å; Q170-R205 PolarHBondContact OE1-O 2.96Å; L174-R205 HydrophobicContact CD1-CB 3.88Å; L174-R205 HydrophobicContact CD2-CB 4.18Å; M201-R205 WeakPolarHBondContact O-CB 3.41Å; M201-R205 VanDerWaalsContact O-CG 3.25Å; M201-R205 WeakPolarHBondContact O-CG 3.46Å; M201-R205 PolarHBondContact O-N 2.94Å; M201-R205 VanDerWaalsContact O-N 3.08Å; I202-R205 PolarHBondContact O-N 3.35Å; L203-R205 PolarHBondContact O-N 3.04Å; R205-G207 PolarHBondContact O-N 3.32Å
206	L	93.5	Very high	95.1	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.152	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.6	171.8	-77.3	170.9	0	0	0	113.1	L174 P175 E178 I202 L203 E204 K208	L174-L206 HydrophobicContact CB-CD1 4.38Å; L174-L206 HydrophobicContact CB-CD2 3.37Å; L174-L206 HydrophobicContact CB-CG 3.74Å; L174-L206 HydrophobicContact CD1-CD2 4.28Å; L174-L206 HydrophobicContact CD1-CG 4.49Å; L174-L206 HydrophobicContact CG-CD2 4.47Å; P175-L206 HydrophobicContact CG-CD2 3.94Å; E178-L206 HydrophobicContact CB-CD1 3.85Å; E178-L206 HydrophobicContact CG-CD1 4.29Å; I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 WeakPolarHBondContact O-CG 3.26Å; I202-L206 PolarHBondContact O-N 3.49Å; L203-L206 PolarHBondContact O-N 3.31Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.42Å; L206-K208 HydrophobicContact CB-CB 4.37Å; L206-K208 HydrophobicContact CB-CD 4.33Å; L206-K208 HydrophobicContact CB-CG 4.06Å; L206-K208 HydrophobicContact CD1-CD 4.28Å; L206-K208 PolarHBondContact O-N 3Å
207	G	92.9	Very high	95	Very high	49 Å²	49	34 Å²	34	51%	0.505	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	9.4	-172	0	0	0	0	0	113.9	L203 E204 R205 C209	L203-G207 PolarHBondContact O-N 3.19Å; E204-G207 PolarHBondContact O-N 3.45Å; E204-G207 VanDerWaalsContact O-N 3.11Å; R205-G207 PolarHBondContact O-N 3.32Å; G207-C209 PolarHBondContact O-N 2.99Å; G207-C209 PolarHBondContact O-SG 3.01Å
208	K	95.8	Very high	94.8	Very high	67 Å²	67	34 Å²	34	29%	0.291	18%	0.18	S	C	.	.			trans	-77.8	64.3	177	-74.3	-173.5	177.3	-171.1	0	111	E178 L203 L206 V210 E211 A212	E178-K208 WeakPolarHBondContact OE1-CD 3.31Å; E178-K208 WeakPolarHBondContact OE1-CE 3.46Å; E178-K208 IonicContact OE1-NZ 2.72Å; E178-K208 PolarHBondContact OE1-NZ 3.47Å; E178-K208 IonicContact OE2-NZ 3.39Å; E178-K208 PolarHBondContact OE2-NZ 3.29Å; L203-K208 HydrophobicContact CB-CB 4.46Å; L203-K208 HydrophobicContact CD2-CB 4.15Å; L203-K208 HydrophobicContact CD2-CD 4.15Å; L203-K208 PolarHBondContact O-N 3.48Å; L206-K208 HydrophobicContact CB-CB 4.37Å; L206-K208 HydrophobicContact CB-CD 4.33Å; L206-K208 HydrophobicContact CB-CG 4.06Å; L206-K208 HydrophobicContact CD1-CD 4.28Å; L206-K208 PolarHBondContact O-N 3Å; K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 2.97Å; K208-E211 WeakPolarHBondContact CA-OE2 3.03Å; K208-E211 HydrophobicContact CB-CB 4.39Å; K208-E211 WeakPolarHBondContact CB-OE2 3.4Å; K208-E211 PolarHBondContact O-N 3.27Å; K208-A212 WeakPolarHBondContact O-CB 3.43Å; K208-A212 PolarHBondContact O-N 3.49Å
209	C	94.9	Very high	94.5	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.115	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-29.9	-169.3	-61.1	0	0	0	0	112.5	G207 L213 M238 L242	G207-C209 PolarHBondContact O-N 2.99Å; G207-C209 PolarHBondContact O-SG 3.01Å; C209-L213 WeakPolarHBondContact O-CB 3.13Å; C209-L213 PolarHBondContact O-N 3.36Å; C209-M238 HydrophobicContact CB-SD 4.16Å; C209-L242 HydrophobicContact CB-CD1 4.12Å; C209-L242 HydrophobicContact CB-CD2 3.53Å; C209-L242 HydrophobicContact CB-CG 3.65Å
210	V	95.8	Very high	94.3	Very high	76 Å²	76	39.4 Å²	39.4	46%	0.461	22%	0.216	S	C	.	.	H	α-helix	trans	-68.6	-49.8	177.3	179.9	0	0	0	0	109.9	K208 A212 L213 D214 L242	K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 2.97Å; V210-A212 VanDerWaalsContact C-N 3.31Å; V210-A212 PolarHBondContact O-N 3.33Å; V210-L213 WeakPolarHBondContact O-CB 3.43Å; V210-L213 PolarHBondContact O-N 2.89Å; V210-L213 VanDerWaalsContact O-N 3.15Å; V210-D214 PolarHBondContact O-N 3.36Å; V210-L242 HydrophobicContact CG2-CD1 4.2Å; V210-L242 HydrophobicContact CG2-CD2 3.84Å
211	E	95.8	Very high	94	Very high	81 Å²	81	39.4 Å²	39.4	38%	0.379	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-39	178.3	-60	91.9	149.1	0	0	111.4	L203 K208 L213 D214 V215	L203-E211 HydrophobicContact CD1-CB 4.31Å; L203-E211 HydrophobicContact CD2-CB 4.22Å; K208-E211 WeakPolarHBondContact CA-OE2 3.03Å; K208-E211 HydrophobicContact CB-CB 4.39Å; K208-E211 WeakPolarHBondContact CB-OE2 3.4Å; K208-E211 PolarHBondContact O-N 3.27Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.2Å; E211-D214 PolarHBondContact O-N 3.14Å; E211-V215 WeakPolarHBondContact O-CG2 3.32Å; E211-V215 PolarHBondContact O-N 3.48Å
212	A	96.1	Very high	93.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-42.4	174.6	0	0	0	0	0	111.9	F200 L203 K208 V210 V215 V216 M238	F200-A212 HydrophobicContact CD2-CB 4.05Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; L203-A212 HydrophobicContact CB-CB 3.74Å; L203-A212 HydrophobicContact CD1-CB 4.31Å; K208-A212 WeakPolarHBondContact O-CB 3.43Å; K208-A212 PolarHBondContact O-N 3.49Å; V210-A212 VanDerWaalsContact C-N 3.31Å; V210-A212 PolarHBondContact O-N 3.33Å; A212-V215 PolarHBondContact O-N 2.94Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 2.78Å; A212-M238 HydrophobicContact CB-CG 4.34Å; A212-M238 HydrophobicContact CB-SD 3.66Å
213	L	95.5	Very high	93.4	Very high	8 Å²	8	50 Å²	50	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-43.8	176	178.6	63.7	0	0	0	111.4	C209 V210 E211 V215 V216 R217 C235 M238 Y239 L242 L244	C209-L213 WeakPolarHBondContact O-CB 3.13Å; C209-L213 PolarHBondContact O-N 3.36Å; V210-L213 WeakPolarHBondContact O-CB 3.43Å; V210-L213 PolarHBondContact O-N 2.89Å; V210-L213 VanDerWaalsContact O-N 3.15Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.2Å; L213-V215 VanDerWaalsContact C-N 3.31Å; L213-V215 PolarHBondContact O-N 2.73Å; L213-V216 PolarHBondContact O-N 2.9Å; L213-R217 HydrophobicContact CD1-CG 3.98Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 WeakPolarHBondContact O-CB 3.24Å; L213-R217 WeakPolarHBondContact O-CG 3.45Å; L213-R217 PolarHBondContact O-N 2.97Å; L213-C235 HydrophobicContact CD1-CB 4.36Å; L213-M238 HydrophobicContact CB-CB 4.04Å; L213-M238 HydrophobicContact CB-CG 4.28Å; L213-M238 HydrophobicContact CD1-CB 4.05Å; L213-Y239 HydrophobicContact CD1-CD1 4.17Å; L213-Y239 HydrophobicContact CD1-CE1 3.72Å; L213-Y239 HydrophobicContact CD2-CD1 3.89Å; L213-Y239 HydrophobicContact CD2-CE1 3.56Å; L213-Y239 HydrophobicContact CG-CE1 4.25Å; L213-L242 HydrophobicContact CD2-CD1 4.12Å; L213-L244 HydrophobicContact CD2-CD1 4.25Å
214	D	94.5	Very high	93.1	Very high	92 Å²	92	50.5 Å²	50.5	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-38.9	178.3	-70.8	-21.4	0	0	0	112	V210 E211 R217 G218	V210-D214 PolarHBondContact O-N 3.36Å; E211-D214 PolarHBondContact O-N 3.14Å; D214-R217 PolarHBondContact O-N 3.19Å; D214-G218 WeakPolarHBondContact O-CA 3.48Å; D214-G218 PolarHBondContact O-N 2.85Å
215	V	94.5	Very high	92.6	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-45	175.1	167.8	0	0	0	0	111.7	V196 Y199 L203 E211 A212 L213 L220 G221	V196-V215 HydrophobicContact CG1-CG1 4.28Å; Y199-V215 HydrophobicContact CD1-CG1 3.92Å; Y199-V215 HydrophobicContact CD1-CG2 3.81Å; Y199-V215 HydrophobicContact CE1-CG1 4.33Å; Y199-V215 HydrophobicContact CE1-CG2 3.37Å; L203-V215 HydrophobicContact CD1-CB 4.48Å; L203-V215 HydrophobicContact CD1-CG2 3.78Å; E211-V215 WeakPolarHBondContact O-CG2 3.32Å; E211-V215 PolarHBondContact O-N 3.48Å; A212-V215 PolarHBondContact O-N 2.94Å; L213-V215 VanDerWaalsContact C-N 3.31Å; L213-V215 PolarHBondContact O-N 2.73Å; V215-L220 HydrophobicContact CG1-CB 4.26Å; V215-L220 HydrophobicContact CG1-CD1 4.25Å; V215-G221 PolarHBondContact O-N 2.89Å; V215-G221 VanDerWaalsContact O-N 3.14Å
216	V	94.1	Very high	92.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-73.3	-33.1	-179.2	177.3	0	0	0	0	111.6	F200 A212 L213 G221 L224 R231 K234	F200-V216 HydrophobicContact CD2-CG2 3.31Å; F200-V216 HydrophobicContact CE2-CG2 3.48Å; F200-V216 VanDerWaalsContact CE2-CG2 3.48Å; F200-V216 HydrophobicContact CG-CG2 4.24Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 2.78Å; L213-V216 PolarHBondContact O-N 2.9Å; V216-G221 WeakPolarHBondContact O-CA 2.98Å; V216-L224 HydrophobicContact CG1-CD1 4.38Å; V216-L224 HydrophobicContact CG2-CD1 4.38Å; V216-R231 HydrophobicContact CG1-CB 4.45Å; V216-R231 HydrophobicContact CG1-CG 3.7Å; V216-R231 PolarHBondContact O-NE 3.21Å; V216-K234 HydrophobicContact CG1-CB 4.06Å; V216-K234 HydrophobicContact CG2-CB 4.13Å
217	R	92.4	Very high	91.8	Very high	89 Å²	89	56.1 Å²	56.1	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-79	-33.5	178.3	-72.1	-177.9	67.8	-158.2	-5.6	112.7	L213 D214 R231	L213-R217 HydrophobicContact CD1-CG 3.98Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 WeakPolarHBondContact O-CB 3.24Å; L213-R217 WeakPolarHBondContact O-CG 3.45Å; L213-R217 PolarHBondContact O-N 2.97Å; D214-R217 PolarHBondContact O-N 3.19Å; R217-R231 PolarHBondContact O-NH2 3.35Å
218	G	91.2	Very high	91.3	Very high	22 Å²	22	61.2 Å²	61.2	23%	0.227	33%	0.328	C	S	.	.	S	Bend	trans	-77.5	-168.7	-178.7	0	0	0	0	0	114.9	D214 L220 G221	D214-G218 WeakPolarHBondContact O-CA 3.48Å; D214-G218 PolarHBondContact O-N 2.85Å; G218-L220 VanDerWaalsContact C-N 3.27Å; G218-L220 PolarHBondContact O-N 3.49Å; G218-G221 PolarHBondContact O-N 3.12Å
219	P	90.4	Very high	90.8	Very high	102 Å²	102	60.2 Å²	60.2	66%	0.662	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.6	-29.7	-173.2	-24.6	34.1	0	0	0	114.5	G221 E222	P219-G221 VanDerWaalsContact C-N 3.27Å; P219-G221 PolarHBondContact O-N 3.11Å; P219-E222 WeakPolarHBondContact O-CB 3.49Å; P219-E222 PolarHBondContact O-N 3.37Å
220	L	91.6	Very high	90.4	Very high	33 Å²	33	59.5 Å²	59.5	17%	0.173	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-66	-33.7	176.7	-66.9	-179.8	0	0	0	111.7	V185 I190 V196 Y199 V215 G218 E222 K223	V185-L220 HydrophobicContact CG1-CD1 4.21Å; V185-L220 HydrophobicContact CG2-CD1 4.25Å; I190-L220 HydrophobicContact CB-CD2 4.24Å; I190-L220 HydrophobicContact CG2-CD2 4.09Å; V196-L220 HydrophobicContact CG1-CB 4.1Å; V196-L220 HydrophobicContact CG2-CB 4.19Å; V196-L220 HydrophobicContact CG2-CD2 4.43Å; Y199-L220 HydrophobicContact CD1-CD1 4.33Å; V215-L220 HydrophobicContact CG1-CB 4.26Å; V215-L220 HydrophobicContact CG1-CD1 4.25Å; G218-L220 VanDerWaalsContact C-N 3.27Å; G218-L220 PolarHBondContact O-N 3.49Å; L220-E222 PolarHBondContact O-N 3.18Å; L220-K223 WeakPolarHBondContact O-CB 3.39Å; L220-K223 PolarHBondContact O-N 2.62Å; L220-K223 VanDerWaalsContact O-N 3.12Å
221	G	90.4	Very high	90.2	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.3	176.1	0	0	0	0	0	114.2	V215 V216 G218 P219 K223 L224	V215-G221 PolarHBondContact O-N 2.89Å; V215-G221 VanDerWaalsContact O-N 3.14Å; V216-G221 WeakPolarHBondContact O-CA 2.98Å; G218-G221 PolarHBondContact O-N 3.12Å; P219-G221 VanDerWaalsContact C-N 3.27Å; P219-G221 PolarHBondContact O-N 3.11Å; G221-K223 PolarHBondContact O-N 2.87Å; G221-L224 WeakPolarHBondContact O-CB 3.36Å; G221-L224 PolarHBondContact O-N 3.19Å; G221-L224 VanDerWaalsContact O-N 3.1Å
222	E	88.9	Confident	90	Very high	152 Å²	152	58.9 Å²	58.9	71%	0.71	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.6	174	-60.8	-176.5	172.5	0	0	112.4	P219 L220 L224 T225	P219-E222 WeakPolarHBondContact O-CB 3.49Å; P219-E222 PolarHBondContact O-N 3.37Å; L220-E222 PolarHBondContact O-N 3.18Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-T225 VanDerWaalsContact O-CG2 3.27Å; E222-T225 WeakPolarHBondContact O-CG2 3.42Å
223	K	89.8	Confident	89.9	Confident	80 Å²	80	61.8 Å²	61.8	35%	0.348	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-79.1	-14.7	175.6	-56.1	-169.5	176.7	-156.6	0	113.2	I190 E193 V196 L220 G221 T225	I190-K223 PolarHBondContact O-NZ 3Å; E193-K223 WeakPolarHBondContact CG-O 3.45Å; V196-K223 HydrophobicContact CG2-CB 4.32Å; V196-K223 HydrophobicContact CG2-CD 4.38Å; L220-K223 WeakPolarHBondContact O-CB 3.39Å; L220-K223 PolarHBondContact O-N 2.62Å; L220-K223 VanDerWaalsContact O-N 3.12Å; G221-K223 PolarHBondContact O-N 2.87Å; K223-T225 VanDerWaalsContact C-N 3.34Å; K223-T225 PolarHBondContact O-N 3.47Å
224	L	89.6	Confident	89.8	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.058	32%	0.322	C	S	.	.			trans	-78.6	78.7	179.3	-61.8	176.5	0	0	0	110.5	E193 V196 Q197 V216 G221 E222 K234	E193-L224 HydrophobicContact CG-CD2 3.92Å; V196-L224 HydrophobicContact CB-CD2 4.06Å; V196-L224 HydrophobicContact CG1-CD1 4.34Å; V196-L224 HydrophobicContact CG1-CD2 3.83Å; V196-L224 HydrophobicContact CG1-CG 4.04Å; Q197-L224 HydrophobicContact CG-CD2 3.72Å; V216-L224 HydrophobicContact CG1-CD1 4.38Å; V216-L224 HydrophobicContact CG2-CD1 4.38Å; G221-L224 WeakPolarHBondContact O-CB 3.36Å; G221-L224 PolarHBondContact O-N 3.19Å; G221-L224 VanDerWaalsContact O-N 3.1Å; E222-L224 VanDerWaalsContact C-N 3.34Å; L224-K234 HydrophobicContact CD1-CD 4.25Å
225	T	85.7	Confident	89.8	Confident	109 Å²	109	57.6 Å²	57.6	67%	0.669	30%	0.299	S	S	*	.			trans	-119.2	-15.2	-170.1	59	0	0	0	0	114.5	E193 E222 K223 E227	E193-T225 PolarHBondContact OE2-N 3.06Å; E222-T225 VanDerWaalsContact O-CG2 3.27Å; E222-T225 WeakPolarHBondContact O-CG2 3.42Å; K223-T225 VanDerWaalsContact C-N 3.34Å; K223-T225 PolarHBondContact O-N 3.47Å; T225-E227 PolarHBondContact O-N 3.11Å
226	S	83.1	Confident	89.8	Confident	83 Å²	83	57.2 Å²	57.2	58%	0.58	30%	0.296	S	S	*	.	S	Bend	trans	-66.1	-37.2	-175.4	66.5	0	0	0	0	114	E193	E193-S226 WeakPolarHBondContact OE1-CB 3.41Å; E193-S226 PolarHBondContact OE1-N 3.47Å; E193-S226 PolarHBondContact OE1-OG 2.88Å; E193-S226 WeakPolarHBondContact OE2-CB 3.35Å; E193-S226 PolarHBondContact OE2-N 3.33Å; E193-S226 PolarHBondContact OE2-OG 3.25Å
227	E	84.4	Confident	89.8	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	31%	0.309	S	S	.	.	S	Bend	trans	-103.4	138.5	-177.1	-75.5	175.9	179.6	0	0	111.9	T225 R229 S230	T225-E227 PolarHBondContact O-N 3.11Å; E227-R229 PolarHBondContact O-N 3.1Å; E227-R229 VanDerWaalsContact O-N 3.09Å; E227-S230 PolarHBondContact O-N 3.01Å; E227-S230 PolarHBondContact OE2-OG 3.31Å
228	L	82.9	Confident	90	Very high	155 Å²	155	55.5 Å²	55.5	81%	0.812	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	117.3	176.8	-178.7	68.2	0	0	0	110.1	S230	L228-S230 PolarHBondContact O-N 3.09Å
229	R	84.3	Confident	90.2	Very high	46 Å²	46	54.5 Å²	54.5	17%	0.174	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	29.7	179.5	-57.4	178.7	-167.5	174.2	8.5	114.2	E227 R231 E232 N233 D262	E227-R229 PolarHBondContact O-N 3.1Å; E227-R229 VanDerWaalsContact O-N 3.09Å; R229-R231 PolarHBondContact O-N 3.43Å; R229-E232 VanDerWaalsContact CA-OE2 3.24Å; R229-E232 WeakPolarHBondContact CA-OE2 3.43Å; R229-E232 HydrophobicContact CB-CB 4.34Å; R229-E232 PolarHBondContact O-N 2.95Å; R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.23Å; R229-N233 PolarHBondContact O-ND2 3.29Å; R229-D262 IonicContact CZ-OD2 2.66Å; R229-D262 IonicContact NH1-OD2 3.73Å; R229-D262 PolarHBondContact NH1-OD2 3.44Å; R229-D262 IonicContact NH2-OD2 3.18Å
230	S	88.2	Confident	90.4	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-53.2	-44.4	177	-158.6	0	0	0	0	111.7	E227 L228 N233 K234	E227-S230 PolarHBondContact O-N 3.01Å; E227-S230 PolarHBondContact OE2-OG 3.31Å; L228-S230 PolarHBondContact O-N 3.09Å; S230-N233 PolarHBondContact O-N 2.93Å; S230-K234 WeakPolarHBondContact O-CB 3.43Å; S230-K234 VanDerWaalsContact O-CG 3.31Å; S230-K234 WeakPolarHBondContact O-CG 3.43Å; S230-K234 PolarHBondContact O-N 2.86Å
231	R	91.3	Very high	90.5	Very high	84 Å²	84	57.6 Å²	57.6	32%	0.317	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-52.1	178.4	-174	175.5	177.5	-102	7.7	111.7	V216 R217 R229 N233 K234 C235	V216-R231 HydrophobicContact CG1-CB 4.45Å; V216-R231 HydrophobicContact CG1-CG 3.7Å; V216-R231 PolarHBondContact O-NE 3.21Å; R217-R231 PolarHBondContact O-NH2 3.35Å; R229-R231 PolarHBondContact O-N 3.43Å; R231-N233 PolarHBondContact O-N 3.35Å; R231-K234 PolarHBondContact O-N 3.2Å; R231-C235 PolarHBondContact O-N 2.91Å; R231-C235 PolarHBondContact O-SG 3.48Å; R231-C235 VanDerWaalsContact O-SG 3.38Å
232	E	92	Very high	90.7	Very high	59 Å²	59	60.1 Å²	60.1	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-38.3	-179.3	-66.4	85.5	169.6	0	0	112.4	R229 C235 M236 L251 L255	R229-E232 VanDerWaalsContact CA-OE2 3.24Å; R229-E232 WeakPolarHBondContact CA-OE2 3.43Å; R229-E232 HydrophobicContact CB-CB 4.34Å; R229-E232 PolarHBondContact O-N 2.95Å; E232-C235 PolarHBondContact O-N 3.11Å; E232-M236 WeakPolarHBondContact O-CB 3.38Å; E232-M236 PolarHBondContact O-N 3.33Å; E232-L251 HydrophobicContact CG-CD1 4.27Å; E232-L255 HydrophobicContact CB-CD1 4.1Å; E232-L255 HydrophobicContact CG-CD1 4.43Å; E232-L255 HydrophobicContact CG-CD2 4.34Å
233	N	92.6	Very high	91	Very high	61 Å²	61	58.3 Å²	58.3	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-42.7	175.7	-71.7	-20	0	0	0	111.6	R229 S230 R231 M236 M237	R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.23Å; R229-N233 PolarHBondContact O-ND2 3.29Å; S230-N233 PolarHBondContact O-N 2.93Å; R231-N233 PolarHBondContact O-N 3.35Å; N233-M236 PolarHBondContact O-N 2.98Å; N233-M237 WeakPolarHBondContact O-CB 3.43Å; N233-M237 PolarHBondContact O-N 3.37Å
234	K	93.3	Very high	91.2	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-39.3	176.1	-71.4	-176.7	-176.5	-158.3	0	111.6	F200 V216 L224 S230 R231 M237 M238 E592	F200-K234 HydrophobicContact CD1-CD 3.88Å; F200-K234 HydrophobicContact CD1-CG 4.43Å; F200-K234 HydrophobicContact CE1-CB 4.21Å; F200-K234 HydrophobicContact CE1-CD 3.82Å; F200-K234 HydrophobicContact CE1-CG 3.86Å; F200-K234 HydrophobicContact CE2-CB 4.1Å; F200-K234 HydrophobicContact CG-CD 4.27Å; F200-K234 HydrophobicContact CZ-CB 3.74Å; F200-K234 HydrophobicContact CZ-CD 4.18Å; F200-K234 HydrophobicContact CZ-CG 3.92Å; V216-K234 HydrophobicContact CG1-CB 4.06Å; V216-K234 HydrophobicContact CG2-CB 4.13Å; L224-K234 HydrophobicContact CD1-CD 4.25Å; S230-K234 WeakPolarHBondContact O-CB 3.43Å; S230-K234 VanDerWaalsContact O-CG 3.31Å; S230-K234 WeakPolarHBondContact O-CG 3.43Å; S230-K234 PolarHBondContact O-N 2.86Å; R231-K234 PolarHBondContact O-N 3.2Å; K234-M237 PolarHBondContact O-N 2.77Å; K234-M238 WeakPolarHBondContact O-CG 3.38Å; K234-M238 PolarHBondContact O-N 3.23Å; K234-M238 VanDerWaalsContact O-N 3.11Å; K234-E592 IonicContact NZ-OE2 2.7Å; K234-E592 PolarHBondContact NZ-OE2 3.06Å
235	C	94.5	Very high	91.5	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-49.9	170.6	-73.5	0	0	0	0	111.6	L213 R231 E232 M237 M238 Y239 L251	L213-C235 HydrophobicContact CD1-CB 4.36Å; R231-C235 PolarHBondContact O-N 2.91Å; R231-C235 PolarHBondContact O-SG 3.48Å; R231-C235 VanDerWaalsContact O-SG 3.38Å; E232-C235 PolarHBondContact O-N 3.11Å; C235-M237 VanDerWaalsContact C-N 3.31Å; C235-M237 PolarHBondContact O-N 2.91Å; C235-M238 PolarHBondContact O-N 3.29Å; C235-M238 VanDerWaalsContact O-N 3.11Å; C235-Y239 HydrophobicContact CB-CD2 4.25Å; C235-Y239 HydrophobicContact CB-CE2 3.81Å; C235-Y239 WeakPolarHBondContact O-CD2 3.46Å; C235-Y239 VanDerWaalsContact O-CG 3.29Å; C235-Y239 PolarHBondContact O-N 3.4Å; C235-L251 HydrophobicContact CB-CD2 4.18Å
236	M	95	Very high	91.9	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-45.8	179.3	-172.6	61.2	71.4	0	0	111.4	E232 N233 M238 Y239 Q240 C248 L251 S252 F265	E232-M236 WeakPolarHBondContact O-CB 3.38Å; E232-M236 PolarHBondContact O-N 3.33Å; N233-M236 PolarHBondContact O-N 2.98Å; M236-M238 VanDerWaalsContact C-N 3.34Å; M236-M238 PolarHBondContact O-N 3.28Å; M236-Y239 PolarHBondContact O-N 3.38Å; M236-Q240 WeakPolarHBondContact O-CG 3.4Å; M236-Q240 PolarHBondContact O-N 3.47Å; M236-C248 HydrophobicContact SD-CB 4.08Å; M236-L251 HydrophobicContact CB-CD2 4.41Å; M236-L251 HydrophobicContact CE-CB 3.93Å; M236-L251 HydrophobicContact CE-CD2 3.81Å; M236-L251 HydrophobicContact CE-CG 3.8Å; M236-S252 WeakPolarHBondContact CE-OG 3.4Å; M236-F265 HydrophobicContact CE-CD1 4Å; M236-F265 HydrophobicContact CE-CE1 4.1Å
237	M	94.3	Very high	92.5	Very high	54 Å²	54	51.2 Å²	51.2	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-43.6	176.6	-175.9	173.1	73.8	0	0	112.3	F200 E204 N233 K234 C235 R241	F200-M237 HydrophobicContact CE1-CE 3.44Å; F200-M237 VanDerWaalsContact CE1-CE 3.44Å; F200-M237 HydrophobicContact CZ-CE 3.52Å; E204-M237 HydrophobicContact CG-CE 4.32Å; E204-M237 WeakPolarHBondContact OE1-CE 3.39Å; N233-M237 WeakPolarHBondContact O-CB 3.43Å; N233-M237 PolarHBondContact O-N 3.37Å; K234-M237 PolarHBondContact O-N 2.77Å; C235-M237 VanDerWaalsContact C-N 3.31Å; C235-M237 PolarHBondContact O-N 2.91Å; M237-R241 WeakPolarHBondContact O-CG 3.31Å; M237-R241 PolarHBondContact O-N 3.26Å; M237-R241 VanDerWaalsContact O-N 3.15Å
238	M	96.1	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-42	177.9	-68.2	-56.4	93.9	0	0	112.3	F200 E204 C209 A212 L213 K234 C235 M236 Q240 R241 L242	F200-M238 HydrophobicContact CE2-CE 4.37Å; F200-M238 HydrophobicContact CE2-CG 3.87Å; F200-M238 HydrophobicContact CE2-SD 4.12Å; F200-M238 HydrophobicContact CZ-CE 3.84Å; F200-M238 HydrophobicContact CZ-CG 4.1Å; F200-M238 HydrophobicContact CZ-SD 4.19Å; E204-M238 HydrophobicContact CG-CE 4.3Å; C209-M238 HydrophobicContact CB-SD 4.16Å; A212-M238 HydrophobicContact CB-CG 4.34Å; A212-M238 HydrophobicContact CB-SD 3.66Å; L213-M238 HydrophobicContact CB-CB 4.04Å; L213-M238 HydrophobicContact CB-CG 4.28Å; L213-M238 HydrophobicContact CD1-CB 4.05Å; K234-M238 WeakPolarHBondContact O-CG 3.38Å; K234-M238 PolarHBondContact O-N 3.23Å; K234-M238 VanDerWaalsContact O-N 3.11Å; C235-M238 PolarHBondContact O-N 3.29Å; C235-M238 VanDerWaalsContact O-N 3.11Å; M236-M238 VanDerWaalsContact C-N 3.34Å; M236-M238 PolarHBondContact O-N 3.28Å; M238-Q240 VanDerWaalsContact C-N 3.33Å; M238-Q240 PolarHBondContact O-N 3.26Å; M238-R241 PolarHBondContact O-N 3.49Å; M238-L242 WeakPolarHBondContact O-CB 3.42Å; M238-L242 WeakPolarHBondContact O-CG 3.36Å; M238-L242 PolarHBondContact O-N 3.44Å
239	Y	96.1	Very high	93.8	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-43.4	176.8	-65.4	-44.1	0	0	0	111.4	L213 C235 M236 L242 Q243 L244 E247 C248 L251 E292	L213-Y239 HydrophobicContact CD1-CD1 4.17Å; L213-Y239 HydrophobicContact CD1-CE1 3.72Å; L213-Y239 HydrophobicContact CD2-CD1 3.89Å; L213-Y239 HydrophobicContact CD2-CE1 3.56Å; L213-Y239 HydrophobicContact CG-CE1 4.25Å; C235-Y239 HydrophobicContact CB-CD2 4.25Å; C235-Y239 HydrophobicContact CB-CE2 3.81Å; C235-Y239 WeakPolarHBondContact O-CD2 3.46Å; C235-Y239 VanDerWaalsContact O-CG 3.29Å; C235-Y239 PolarHBondContact O-N 3.4Å; M236-Y239 PolarHBondContact O-N 3.38Å; Y239-L242 PolarHBondContact O-N 3.1Å; Y239-Q243 PolarHBondContact O-N 3.36Å; Y239-L244 HydrophobicContact CD1-CB 4.04Å; Y239-L244 HydrophobicContact CD1-CD1 3.93Å; Y239-L244 HydrophobicContact CE1-CD1 4.46Å; Y239-L244 PolarHBondContact O-N 3.41Å; Y239-E247 HydrophobicContact CD1-CB 3.57Å; Y239-E247 HydrophobicContact CD1-CG 4.12Å; Y239-E247 HydrophobicContact CD2-CB 3.88Å; Y239-E247 HydrophobicContact CE1-CB 3.57Å; Y239-E247 HydrophobicContact CE1-CG 3.79Å; Y239-E247 HydrophobicContact CE2-CB 3.9Å; Y239-E247 HydrophobicContact CG-CB 3.75Å; Y239-C248 WeakPolarHBondContact CB-SG 3.49Å; Y239-L251 HydrophobicContact CD2-CD2 4.23Å; Y239-L251 HydrophobicContact CE2-CD2 4Å; Y239-E292 HydrophobicContact CE2-CG 3.89Å; Y239-E292 WeakPolarHBondContact CE2-OE1 3.41Å; Y239-E292 PolarHBondContact OH-OE1 3.41Å
240	Q	94.6	Very high	94.3	Very high	73 Å²	73	37.4 Å²	37.4	34%	0.341	17%	0.172	S	C	.	.	H	α-helix	trans	-62.8	-44.3	176.4	-73	175.7	-22.5	0	0	112.2	M236 M238 Q243 W245 C248 S268	M236-Q240 WeakPolarHBondContact O-CG 3.4Å; M236-Q240 PolarHBondContact O-N 3.47Å; M238-Q240 VanDerWaalsContact C-N 3.33Å; M238-Q240 PolarHBondContact O-N 3.26Å; Q240-Q243 PolarHBondContact O-N 3.03Å; Q240-Q243 VanDerWaalsContact O-N 3.14Å; Q240-W245 HydrophobicContact CG-CZ3 4.46Å; Q240-C248 PolarHBondContact N-SG 2.87Å; Q240-S268 PolarHBondContact NE2-OG 3.34Å
241	R	94.1	Very high	94.7	Very high	126 Å²	126	37.4 Å²	37.4	48%	0.475	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-39.1	178.3	-74.6	-172.9	-177.2	-176.2	10	113.4	E204 M237 M238 Q243	E204-R241 IonicContact OE1-CZ 3.6Å; E204-R241 IonicContact OE1-NH1 3.06Å; E204-R241 PolarHBondContact OE1-NH1 2.9Å; E204-R241 VanDerWaalsContact OE1-NH1 3.13Å; E204-R241 IonicContact OE1-NH2 3.57Å; E204-R241 PolarHBondContact OE1-NH2 3.33Å; M237-R241 WeakPolarHBondContact O-CG 3.31Å; M237-R241 PolarHBondContact O-N 3.26Å; M237-R241 VanDerWaalsContact O-N 3.15Å; M238-R241 PolarHBondContact O-N 3.49Å; R241-Q243 PolarHBondContact O-N 2.66Å
242	L	95	Very high	95	Very high	54 Å²	54	33.4 Å²	33.4	28%	0.283	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.9	175.7	-69.7	170.4	0	0	0	112.9	C209 V210 L213 M238 Y239 L244	C209-L242 HydrophobicContact CB-CD1 4.12Å; C209-L242 HydrophobicContact CB-CD2 3.53Å; C209-L242 HydrophobicContact CB-CG 3.65Å; V210-L242 HydrophobicContact CG2-CD1 4.2Å; V210-L242 HydrophobicContact CG2-CD2 3.84Å; L213-L242 HydrophobicContact CD2-CD1 4.12Å; M238-L242 WeakPolarHBondContact O-CB 3.42Å; M238-L242 WeakPolarHBondContact O-CG 3.36Å; M238-L242 PolarHBondContact O-N 3.44Å; Y239-L242 PolarHBondContact O-N 3.1Å; L242-L244 HydrophobicContact CB-CB 4.48Å; L242-L244 HydrophobicContact CB-CD1 3.86Å; L242-L244 HydrophobicContact CB-CG 3.7Å; L242-L244 HydrophobicContact CD1-CD1 3.77Å; L242-L244 HydrophobicContact CG-CD1 4.47Å; L242-L244 PolarHBondContact O-N 3.28Å
243	Q	94.6	Very high	95.2	Very high	114 Å²	114	32.8 Å²	32.8	53%	0.533	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	32.7	-172.2	-55.7	-173.7	4.6	0	0	113.3	Y239 Q240 R241 W245	Y239-Q243 PolarHBondContact O-N 3.36Å; Q240-Q243 PolarHBondContact O-N 3.03Å; Q240-Q243 VanDerWaalsContact O-N 3.14Å; R241-Q243 PolarHBondContact O-N 2.66Å; Q243-W245 HydrophobicContact CB-CZ2 4.15Å; Q243-W245 HydrophobicContact CG-CZ2 4.06Å; Q243-W245 VanDerWaalsContact O-CD1 3.25Å; Q243-W245 PolarHBondContact O-N 3.27Å
244	L	94.4	Very high	95.3	Very high	58 Å²	58	35.1 Å²	35.1	30%	0.304	16%	0.16	S	C	.	.			trans	-79.4	68.2	172.3	-67.6	178.5	0	0	0	108.9	L213 Y239 L242 P246 E247 C248	L213-L244 HydrophobicContact CD2-CD1 4.25Å; Y239-L244 HydrophobicContact CD1-CB 4.04Å; Y239-L244 HydrophobicContact CD1-CD1 3.93Å; Y239-L244 HydrophobicContact CE1-CD1 4.46Å; Y239-L244 PolarHBondContact O-N 3.41Å; L242-L244 HydrophobicContact CB-CB 4.48Å; L242-L244 HydrophobicContact CB-CD1 3.86Å; L242-L244 HydrophobicContact CB-CG 3.7Å; L242-L244 HydrophobicContact CD1-CD1 3.77Å; L242-L244 HydrophobicContact CG-CD1 4.47Å; L242-L244 PolarHBondContact O-N 3.28Å; L244-P246 VanDerWaalsContact C-CD 3.42Å; L244-E247 HydrophobicContact CB-CB 4.42Å; L244-E247 WeakPolarHBondContact CB-OE2 3.43Å; L244-E247 PolarHBondContact O-N 3.33Å; L244-C248 PolarHBondContact O-N 3.04Å; L244-C248 PolarHBondContact O-SG 3.09Å
245	W	95.3	Very high	95.3	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-35.7	-176.7	-55.5	123.1	0	0	0	114.3	Q240 Q243 E247 C248 N249 H275 L276	Q240-W245 HydrophobicContact CG-CZ3 4.46Å; Q243-W245 HydrophobicContact CB-CZ2 4.15Å; Q243-W245 HydrophobicContact CG-CZ2 4.06Å; Q243-W245 VanDerWaalsContact O-CD1 3.25Å; Q243-W245 PolarHBondContact O-N 3.27Å; W245-E247 VanDerWaalsContact C-N 3.34Å; W245-E247 PolarHBondContact O-N 3.35Å; W245-C248 HydrophobicContact CE3-CB 4.48Å; W245-C248 PolarHBondContact O-N 3.28Å; W245-N249 WeakPolarHBondContact O-CB 3.31Å; W245-N249 PolarHBondContact O-N 2.96Å; W245-H275 HydrophobicContact CB-CB 4.37Å; W245-H275 HydrophobicContact CD2-CB 3.68Å; W245-H275 AromaticContact CD2-CD2 3.83Å; W245-H275 AromaticContact CD2-CG 3.92Å; W245-H275 AromaticContact CE2-CD2 3.49Å; W245-H275 VanDerWaalsContact CE2-CD2 3.49Å; W245-H275 AromaticContact CE2-CG 3.53Å; W245-H275 HydrophobicContact CE3-CB 4.36Å; W245-H275 AromaticContact CE3-CD2 3.9Å; W245-H275 HydrophobicContact CG-CB 3.65Å; W245-H275 AromaticContact CH2-CD2 3.38Å; W245-H275 WeakPolarHBondContact CH2-CD2 3.31Å; W245-H275 AromaticContact CH2-NE2 3.6Å; W245-H275 HydrophobicContact CZ2-CB 4.38Å; W245-H275 AromaticContact CZ2-CD2 3.28Å; W245-H275 WeakPolarHBondContact CZ2-CD2 3.25Å; W245-H275 AromaticContact CZ2-CG 3.72Å; W245-H275 AromaticContact CZ2-NE2 3.49Å; W245-H275 WeakPolarHBondContact CZ2-NE2 3.4Å; W245-H275 AromaticContact CZ3-CD2 3.69Å; W245-H275 AromaticContact NE1-CG 3.72Å; W245-L276 HydrophobicContact CB-CD2 3.81Å; W245-L276 HydrophobicContact CB-CG 3.91Å
246	P	94.9	Very high	95.4	Very high	17 Å²	17	35 Å²	35	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.6	-22.4	32.3	0	0	0	112.3	L244 N249 A250 L276 W281 V295	L244-P246 VanDerWaalsContact C-CD 3.42Å; P246-N249 PolarHBondContact O-N 3.29Å; P246-A250 WeakPolarHBondContact O-CB 3.47Å; P246-A250 PolarHBondContact O-N 3.36Å; P246-L276 HydrophobicContact CB-CD2 4.41Å; P246-L276 HydrophobicContact CG-CD2 3.72Å; P246-W281 HydrophobicContact CB-CH2 4.32Å; P246-W281 HydrophobicContact CB-CZ2 3.98Å; P246-W281 HydrophobicContact CG-CD2 4.2Å; P246-W281 HydrophobicContact CG-CZ2 3.91Å; P246-V295 HydrophobicContact CB-CG1 4.18Å; P246-V295 HydrophobicContact CB-CG2 3.93Å
247	E	95.4	Very high	95.4	Very high	34 Å²	34	38.6 Å²	38.6	16%	0.159	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-41.5	178.7	-66.9	78.2	-179.6	0	0	111.6	Y239 L244 W245 N249 L251 V291 E292	Y239-E247 HydrophobicContact CD1-CB 3.57Å; Y239-E247 HydrophobicContact CD1-CG 4.12Å; Y239-E247 HydrophobicContact CD2-CB 3.88Å; Y239-E247 HydrophobicContact CE1-CB 3.57Å; Y239-E247 HydrophobicContact CE1-CG 3.79Å; Y239-E247 HydrophobicContact CE2-CB 3.9Å; Y239-E247 HydrophobicContact CG-CB 3.75Å; L244-E247 HydrophobicContact CB-CB 4.42Å; L244-E247 WeakPolarHBondContact CB-OE2 3.43Å; L244-E247 PolarHBondContact O-N 3.33Å; W245-E247 VanDerWaalsContact C-N 3.34Å; W245-E247 PolarHBondContact O-N 3.35Å; E247-N249 VanDerWaalsContact C-N 3.3Å; E247-N249 PolarHBondContact O-N 3.41Å; E247-L251 WeakPolarHBondContact O-CB 3.45Å; E247-L251 PolarHBondContact O-N 3.06Å; E247-V291 HydrophobicContact CG-CG2 3.95Å; E247-E292 HydrophobicContact CB-CG 4.39Å
248	C	96.3	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-47.1	171.8	-66.8	0	0	0	0	111.3	M236 Y239 Q240 L244 W245 S252	M236-C248 HydrophobicContact SD-CB 4.08Å; Y239-C248 WeakPolarHBondContact CB-SG 3.49Å; Q240-C248 PolarHBondContact N-SG 2.87Å; L244-C248 PolarHBondContact O-N 3.04Å; L244-C248 PolarHBondContact O-SG 3.09Å; W245-C248 HydrophobicContact CE3-CB 4.48Å; W245-C248 PolarHBondContact O-N 3.28Å; C248-S252 VanDerWaalsContact O-CB 3.29Å; C248-S252 WeakPolarHBondContact O-CB 3.5Å; C248-S252 PolarHBondContact O-N 3.26Å; C248-S252 PolarHBondContact O-OG 3Å
249	N	96.9	Very high	95.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-50.8	-176.4	-174.4	-88.8	0	0	0	111.2	W245 P246 E247 L251 S252 Y253 Y269 S272 L276 V295 Q296	W245-N249 WeakPolarHBondContact O-CB 3.31Å; W245-N249 PolarHBondContact O-N 2.96Å; P246-N249 PolarHBondContact O-N 3.29Å; E247-N249 VanDerWaalsContact C-N 3.3Å; E247-N249 PolarHBondContact O-N 3.41Å; N249-L251 PolarHBondContact O-N 3.17Å; N249-S252 PolarHBondContact O-N 3.38Å; N249-Y253 VanDerWaalsContact O-CB 3.25Å; N249-Y253 WeakPolarHBondContact O-CB 3.35Å; N249-Y253 PolarHBondContact O-N 2.86Å; N249-Y269 VanDerWaalsContact ND2-CD2 3.33Å; N249-Y269 WeakPolarHBondContact ND2-CD2 3.27Å; N249-Y269 VanDerWaalsContact ND2-CE2 3.34Å; N249-Y269 WeakPolarHBondContact ND2-CE2 3.33Å; N249-Y269 PolarHBondContact ND2-O 3.11Å; N249-S272 VanDerWaalsContact CA-OG 3.25Å; N249-S272 WeakPolarHBondContact CA-OG 3.22Å; N249-S272 WeakPolarHBondContact CB-OG 3.48Å; N249-S272 PolarHBondContact N-OG 2.92Å; N249-S272 PolarHBondContact ND2-OG 2.93Å; N249-L276 HydrophobicContact CB-CD1 3.86Å; N249-V295 HydrophobicContact CB-CG1 4.22Å; N249-Q296 WeakPolarHBondContact OD1-CB 3.2Å; N249-Q296 PolarHBondContact OD1-N 3Å; N249-Q296 PolarHBondContact OD1-O 3.09Å
250	A	96.1	Very high	95	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-42.8	179.7	0	0	0	0	0	112.2	P246 K254 E292 P294 V295	P246-A250 WeakPolarHBondContact O-CB 3.47Å; P246-A250 PolarHBondContact O-N 3.36Å; A250-K254 WeakPolarHBondContact O-CB 3.25Å; A250-K254 PolarHBondContact O-N 3.46Å; A250-E292 HydrophobicContact CB-CB 3.84Å; A250-P294 WeakPolarHBondContact CA-O 3.37Å; A250-P294 WeakPolarHBondContact CB-O 3.45Å; A250-V295 HydrophobicContact CB-CG2 4.11Å
251	L	96.1	Very high	95	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-45.6	176.7	-178.4	57.6	0	0	0	111.4	E232 C235 M236 Y239 E247 N249 K254 L255 E292	E232-L251 HydrophobicContact CG-CD1 4.27Å; C235-L251 HydrophobicContact CB-CD2 4.18Å; M236-L251 HydrophobicContact CB-CD2 4.41Å; M236-L251 HydrophobicContact CE-CB 3.93Å; M236-L251 HydrophobicContact CE-CD2 3.81Å; M236-L251 HydrophobicContact CE-CG 3.8Å; Y239-L251 HydrophobicContact CD2-CD2 4.23Å; Y239-L251 HydrophobicContact CE2-CD2 4Å; E247-L251 WeakPolarHBondContact O-CB 3.45Å; E247-L251 PolarHBondContact O-N 3.06Å; N249-L251 PolarHBondContact O-N 3.17Å; L251-K254 PolarHBondContact O-N 3.25Å; L251-L255 HydrophobicContact CD1-CD1 3.86Å; L251-L255 HydrophobicContact CD1-CG 4.03Å; L251-L255 HydrophobicContact CG-CD1 3.94Å; L251-L255 HydrophobicContact CG-CG 4.47Å; L251-L255 WeakPolarHBondContact O-CB 3.38Å; L251-L255 VanDerWaalsContact O-CG 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.34Å; L251-L255 PolarHBondContact O-N 3.19Å; L251-E292 HydrophobicContact CB-CB 4.21Å; L251-E292 HydrophobicContact CB-CG 4.04Å
252	S	96.8	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-47.5	177.6	-57.8	0	0	0	0	111.1	M236 C248 N249 K254 L255 L256 S268	M236-S252 WeakPolarHBondContact CE-OG 3.4Å; C248-S252 VanDerWaalsContact O-CB 3.29Å; C248-S252 WeakPolarHBondContact O-CB 3.5Å; C248-S252 PolarHBondContact O-N 3.26Å; C248-S252 PolarHBondContact O-OG 3Å; N249-S252 PolarHBondContact O-N 3.38Å; S252-K254 PolarHBondContact O-N 2.85Å; S252-L255 PolarHBondContact O-N 3.23Å; S252-L256 WeakPolarHBondContact O-CB 3.47Å; S252-L256 VanDerWaalsContact O-CG 3.25Å; S252-L256 WeakPolarHBondContact O-CG 3.41Å; S252-L256 PolarHBondContact O-N 3.45Å; S252-S268 WeakPolarHBondContact OG-CB 3.13Å
253	Y	96.1	Very high	95	Very high	46 Å²	46	42.6 Å²	42.6	18%	0.18	20%	0.2	C	C	.	.	H	α-helix	trans	-56.8	-50.8	176.7	176.2	-103.2	0	0	0	111.7	N249 L255 L256 L257 Y269 P294 Q296 F305	N249-Y253 VanDerWaalsContact O-CB 3.25Å; N249-Y253 WeakPolarHBondContact O-CB 3.35Å; N249-Y253 PolarHBondContact O-N 2.86Å; Y253-L255 VanDerWaalsContact C-N 3.34Å; Y253-L255 PolarHBondContact O-N 2.97Å; Y253-L256 PolarHBondContact O-N 2.98Å; Y253-L257 HydrophobicContact CD1-CD1 4.04Å; Y253-L257 HydrophobicContact CE1-CD1 3.52Å; Y253-L257 HydrophobicContact CE1-CG 4.31Å; Y253-L257 WeakPolarHBondContact O-CG 3.42Å; Y253-L257 PolarHBondContact O-N 3.24Å; Y253-Y269 HydrophobicContact CD2-CE2 4.28Å; Y253-P294 HydrophobicContact CD1-CG 4.4Å; Y253-P294 HydrophobicContact CE1-CG 4.17Å; Y253-Q296 HydrophobicContact CD2-CG 3.98Å; Y253-Q296 HydrophobicContact CE2-CG 4.2Å; Y253-Q296 HydrophobicContact CG-CG 4.37Å; Y253-F305 AromaticContact CD2-CD2 3.71Å; Y253-F305 HydrophobicContact CD2-CD2 3.71Å; Y253-F305 AromaticContact CD2-CE2 3.51Å; Y253-F305 HydrophobicContact CD2-CE2 3.51Å; Y253-F305 HydrophobicContact CD2-CG 4.26Å; Y253-F305 AromaticContact CD2-CZ 3.96Å; Y253-F305 HydrophobicContact CD2-CZ 3.96Å; Y253-F305 AromaticContact CE2-CD2 3.26Å; Y253-F305 HydrophobicContact CE2-CD2 3.26Å; Y253-F305 AromaticContact CE2-CE2 3.37Å; Y253-F305 HydrophobicContact CE2-CE2 3.37Å; Y253-F305 HydrophobicContact CE2-CG 4.06Å; Y253-F305 HydrophobicContact CE2-CZ 4.27Å
254	K	95.2	Very high	95	Very high	110 Å²	110	41.6 Å²	41.6	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-58.3	-42.3	177.1	176.7	-178.4	173.9	-176.1	0	112.6	A250 L251 S252 K258 E292	A250-K254 WeakPolarHBondContact O-CB 3.25Å; A250-K254 PolarHBondContact O-N 3.46Å; L251-K254 PolarHBondContact O-N 3.25Å; S252-K254 PolarHBondContact O-N 2.85Å; K254-K258 PolarHBondContact O-N 3Å; K254-E292 IonicContact NZ-OE2 3.03Å
255	L	94.6	Very high	95.1	Very high	10 Å²	10	39 Å²	39	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-36.7	179.9	-69.9	175.3	0	0	0	112.3	E232 L251 S252 Y253 K258 N259 F265	E232-L255 HydrophobicContact CB-CD1 4.1Å; E232-L255 HydrophobicContact CG-CD1 4.43Å; E232-L255 HydrophobicContact CG-CD2 4.34Å; L251-L255 HydrophobicContact CD1-CD1 3.86Å; L251-L255 HydrophobicContact CD1-CG 4.03Å; L251-L255 HydrophobicContact CG-CD1 3.94Å; L251-L255 HydrophobicContact CG-CG 4.47Å; L251-L255 WeakPolarHBondContact O-CB 3.38Å; L251-L255 VanDerWaalsContact O-CG 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.34Å; L251-L255 PolarHBondContact O-N 3.19Å; S252-L255 PolarHBondContact O-N 3.23Å; Y253-L255 VanDerWaalsContact C-N 3.34Å; Y253-L255 PolarHBondContact O-N 2.97Å; L255-K258 PolarHBondContact O-N 3.17Å; L255-K258 VanDerWaalsContact O-N 3.16Å; L255-N259 PolarHBondContact O-N 3.37Å; L255-F265 HydrophobicContact CB-CD2 4.06Å; L255-F265 HydrophobicContact CB-CE2 4.34Å; L255-F265 HydrophobicContact CB-CG 4.3Å; L255-F265 HydrophobicContact CD1-CD1 4.01Å; L255-F265 HydrophobicContact CD1-CD2 4.18Å; L255-F265 HydrophobicContact CD1-CE1 3.58Å; L255-F265 HydrophobicContact CD1-CE2 3.8Å; L255-F265 HydrophobicContact CD1-CG 4.31Å; L255-F265 HydrophobicContact CD1-CZ 3.48Å; L255-F265 VanDerWaalsContact CD1-CZ 3.48Å
256	L	95.7	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-32.3	175.6	-72.2	171.9	0	0	0	112.8	S252 Y253 K258 N259 P260 F265 Y266 Y269 F305	S252-L256 WeakPolarHBondContact O-CB 3.47Å; S252-L256 VanDerWaalsContact O-CG 3.25Å; S252-L256 WeakPolarHBondContact O-CG 3.41Å; S252-L256 PolarHBondContact O-N 3.45Å; Y253-L256 PolarHBondContact O-N 2.98Å; L256-K258 PolarHBondContact O-N 3Å; L256-N259 CarbonylContact O-C 3.55Å; L256-N259 VanDerWaalsContact O-C 3.25Å; L256-N259 PolarHBondContact O-N 2.85Å; L256-P260 WeakPolarHBondContact O-CA 3.47Å; L256-P260 VanDerWaalsContact O-N 3.17Å; L256-F265 HydrophobicContact CD1-CB 4.33Å; L256-F265 HydrophobicContact CD2-CB 3.9Å; L256-F265 HydrophobicContact CG-CB 3.85Å; L256-Y266 HydrophobicContact CD1-CD1 3.75Å; L256-Y266 HydrophobicContact CD1-CD2 4.48Å; L256-Y266 HydrophobicContact CD1-CE1 3.92Å; L256-Y266 HydrophobicContact CD1-CG 4.05Å; L256-Y266 HydrophobicContact CD2-CD1 4.3Å; L256-Y266 HydrophobicContact CD2-CD2 3.57Å; L256-Y266 HydrophobicContact CD2-CE1 4.26Å; L256-Y266 HydrophobicContact CD2-CE2 3.54Å; L256-Y266 HydrophobicContact CD2-CG 3.98Å; L256-Y269 HydrophobicContact CD1-CG 4.43Å; L256-F305 HydrophobicContact CB-CE1 4.4Å; L256-F305 HydrophobicContact CB-CZ 3.79Å; L256-F305 HydrophobicContact CD1-CE1 3.99Å; L256-F305 HydrophobicContact CD1-CZ 4.19Å
257	L	94.3	Very high	95.3	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.435	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-34.6	169.8	-73	175.8	0	0	0	112.1	Y253 F305 R309	Y253-L257 HydrophobicContact CD1-CD1 4.04Å; Y253-L257 HydrophobicContact CE1-CD1 3.52Å; Y253-L257 HydrophobicContact CE1-CG 4.31Å; Y253-L257 WeakPolarHBondContact O-CG 3.42Å; Y253-L257 PolarHBondContact O-N 3.24Å; L257-F305 HydrophobicContact CD2-CE2 4.04Å; L257-F305 HydrophobicContact CG-CE2 4.43Å; L257-R309 VanDerWaalsContact CD2-NH1 3.35Å
258	K	92.6	Very high	95.3	Very high	171 Å²	171	38.5 Å²	38.5	74%	0.743	18%	0.182	S	C	*	.	H	α-helix	trans	-80.9	-40.9	178	-173.4	177.6	179.7	179.1	0	112.4	K254 L255 L256	K254-K258 PolarHBondContact O-N 3Å; L255-K258 PolarHBondContact O-N 3.17Å; L255-K258 VanDerWaalsContact O-N 3.16Å; L256-K258 PolarHBondContact O-N 3Å
259	N	92.6	Very high	95.4	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.294	18%	0.182	S	C	.	.			trans	-137.4	97.4	177.5	-176.4	17.4	0	0	0	110.8	L255 L256 D261	L255-N259 PolarHBondContact O-N 3.37Å; L256-N259 CarbonylContact O-C 3.55Å; L256-N259 VanDerWaalsContact O-C 3.25Å; L256-N259 PolarHBondContact O-N 2.85Å; N259-D261 PolarHBondContact O-N 3.38Å; N259-D261 PolarHBondContact OD1-N 3.23Å
260	P	93.9	Very high	95.4	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	7	-176.2	33.8	-37.4	0	0	0	113.8	L256 Y266 L321 P324	L256-P260 WeakPolarHBondContact O-CA 3.47Å; L256-P260 VanDerWaalsContact O-N 3.17Å; P260-Y266 VanDerWaalsContact O-CE2 3.25Å; P260-Y266 WeakPolarHBondContact O-CE2 3.36Å; P260-Y266 PolarHBondContact O-OH 3.29Å; P260-L321 HydrophobicContact CG-CD1 3.82Å; P260-P324 HydrophobicContact CB-CG 4.14Å; P260-P324 WeakPolarHBondContact O-CD 3.4Å
261	D	94.1	Very high	95.4	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.241	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	8.9	176.3	-150.5	48.1	0	0	0	112.7	N259 W263 L321 R322 G323	N259-D261 PolarHBondContact O-N 3.38Å; N259-D261 PolarHBondContact OD1-N 3.23Å; D261-W263 PolarHBondContact O-N 2.93Å; D261-L321 HydrophobicContact CB-CB 4.31Å; D261-L321 HydrophobicContact CB-CD1 4.3Å; D261-L321 HydrophobicContact CB-CD2 4.33Å; D261-R322 WeakPolarHBondContact OD1-CG 3.45Å; D261-R322 PolarHBondContact OD1-N 3.28Å; D261-G323 WeakPolarHBondContact OD1-CA 3.42Å; D261-G323 PolarHBondContact OD1-N 3.23Å
262	D	94	Very high	95.5	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.134	20%	0.198	C	C	.	.			trans	-88.8	90.3	-175.3	-153.9	-31.9	0	0	0	111.8	R229 Q264 F265	R229-D262 IonicContact CZ-OD2 2.66Å; R229-D262 IonicContact NH1-OD2 3.73Å; R229-D262 PolarHBondContact NH1-OD2 3.44Å; R229-D262 IonicContact NH2-OD2 3.18Å; D262-Q264 VanDerWaalsContact C-N 3.31Å; D262-Q264 PolarHBondContact O-N 2.96Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.27Å; D262-Q264 PolarHBondContact OD1-NE2 3.47Å; D262-F265 HydrophobicContact CB-CD2 3.85Å; D262-F265 PolarHBondContact O-N 3.44Å; D262-F265 VanDerWaalsContact O-N 3.17Å; D262-F265 WeakPolarHBondContact OD2-CD2 3.34Å; D262-F265 WeakPolarHBondContact OD2-CE2 3.45Å
263	W	95.6	Very high	95.4	Very high	80 Å²	80	41.5 Å²	41.5	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-57.4	-37.3	-170.6	-170.7	-115.9	0	0	0	114.5	D261 F265 Y266 L267 L326 A327 E330 Y373	D261-W263 PolarHBondContact O-N 2.93Å; W263-F265 PolarHBondContact O-N 2.89Å; W263-Y266 HydrophobicContact CE3-CD2 4.24Å; W263-Y266 PolarHBondContact O-N 3.23Å; W263-Y266 VanDerWaalsContact O-N 3.12Å; W263-L267 HydrophobicContact CZ2-CD2 4.11Å; W263-L267 PolarHBondContact O-N 3.49Å; W263-L326 HydrophobicContact CH2-CB 3.9Å; W263-L326 HydrophobicContact CZ3-CB 3.64Å; W263-A327 HydrophobicContact CZ3-CB 4.36Å; W263-E330 HydrophobicContact CH2-CB 3.87Å; W263-E330 HydrophobicContact CH2-CG 4.19Å; W263-E330 HydrophobicContact CZ2-CB 4.44Å; W263-E330 HydrophobicContact CZ2-CG 4.35Å; W263-Y373 VanDerWaalsContact CH2-OH 3.3Å; W263-Y373 WeakPolarHBondContact CH2-OH 3.46Å; W263-Y373 VanDerWaalsContact CZ2-OH 3.32Å; W263-Y373 WeakPolarHBondContact CZ2-OH 3.32Å
264	Q	95.1	Very high	95.4	Very high	93 Å²	93	40 Å²	40	44%	0.435	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-31.8	-178.4	77.5	-166.3	-37.9	0	0	112.6	D262 S268	D262-Q264 VanDerWaalsContact C-N 3.31Å; D262-Q264 PolarHBondContact O-N 2.96Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.27Å; D262-Q264 PolarHBondContact OD1-NE2 3.47Å; Q264-S268 PolarHBondContact O-N 3.34Å; Q264-S268 VanDerWaalsContact O-N 3.11Å; Q264-S268 PolarHBondContact O-OG 2.81Å
265	F	95.4	Very high	95.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-83.3	-25.1	-180	-64.5	-55.1	0	0	0	112	M236 L255 L256 D262 W263 Y269	M236-F265 HydrophobicContact CE-CD1 4Å; M236-F265 HydrophobicContact CE-CE1 4.1Å; L255-F265 HydrophobicContact CB-CD2 4.06Å; L255-F265 HydrophobicContact CB-CE2 4.34Å; L255-F265 HydrophobicContact CB-CG 4.3Å; L255-F265 HydrophobicContact CD1-CD1 4.01Å; L255-F265 HydrophobicContact CD1-CD2 4.18Å; L255-F265 HydrophobicContact CD1-CE1 3.58Å; L255-F265 HydrophobicContact CD1-CE2 3.8Å; L255-F265 HydrophobicContact CD1-CG 4.31Å; L255-F265 HydrophobicContact CD1-CZ 3.48Å; L255-F265 VanDerWaalsContact CD1-CZ 3.48Å; L256-F265 HydrophobicContact CD1-CB 4.33Å; L256-F265 HydrophobicContact CD2-CB 3.9Å; L256-F265 HydrophobicContact CG-CB 3.85Å; D262-F265 HydrophobicContact CB-CD2 3.85Å; D262-F265 PolarHBondContact O-N 3.44Å; D262-F265 VanDerWaalsContact O-N 3.17Å; D262-F265 WeakPolarHBondContact OD2-CD2 3.34Å; D262-F265 WeakPolarHBondContact OD2-CE2 3.45Å; W263-F265 PolarHBondContact O-N 2.89Å; F265-Y269 WeakPolarHBondContact O-CB 3.41Å; F265-Y269 PolarHBondContact O-N 3.46Å
266	Y	97.3	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-45.2	167.4	-81.9	-69.4	0	0	0	111.3	L256 P260 W263 Y269 F270 F305 A327	L256-Y266 HydrophobicContact CD1-CD1 3.75Å; L256-Y266 HydrophobicContact CD1-CD2 4.48Å; L256-Y266 HydrophobicContact CD1-CE1 3.92Å; L256-Y266 HydrophobicContact CD1-CG 4.05Å; L256-Y266 HydrophobicContact CD2-CD1 4.3Å; L256-Y266 HydrophobicContact CD2-CD2 3.57Å; L256-Y266 HydrophobicContact CD2-CE1 4.26Å; L256-Y266 HydrophobicContact CD2-CE2 3.54Å; L256-Y266 HydrophobicContact CD2-CG 3.98Å; P260-Y266 VanDerWaalsContact O-CE2 3.25Å; P260-Y266 WeakPolarHBondContact O-CE2 3.36Å; P260-Y266 PolarHBondContact O-OH 3.29Å; W263-Y266 HydrophobicContact CE3-CD2 4.24Å; W263-Y266 PolarHBondContact O-N 3.23Å; W263-Y266 VanDerWaalsContact O-N 3.12Å; Y266-Y269 PolarHBondContact O-N 3.35Å; Y266-F270 HydrophobicContact CD1-CE2 4.26Å; Y266-F270 HydrophobicContact CD1-CZ 4.14Å; Y266-F270 WeakPolarHBondContact O-CD2 3.38Å; Y266-F270 WeakPolarHBondContact O-CG 3.36Å; Y266-F270 PolarHBondContact O-N 3.47Å; Y266-F305 HydrophobicContact CE1-CE1 4.13Å; Y266-A327 HydrophobicContact CD1-CB 3.4Å; Y266-A327 HydrophobicContact CD2-CB 4.21Å; Y266-A327 HydrophobicContact CE1-CB 3.41Å; Y266-A327 VanDerWaalsContact CE1-CB 3.41Å; Y266-A327 HydrophobicContact CE2-CB 4.19Å; Y266-A327 HydrophobicContact CG-CB 3.82Å
267	L	96.8	Very high	95.2	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-50.3	176.6	-59.5	179.3	0	0	0	110.9	W263 Y269 F270 D271 E330	W263-L267 HydrophobicContact CZ2-CD2 4.11Å; W263-L267 PolarHBondContact O-N 3.49Å; L267-Y269 VanDerWaalsContact C-N 3.34Å; L267-Y269 PolarHBondContact O-N 2.94Å; L267-F270 PolarHBondContact O-N 3.02Å; L267-D271 WeakPolarHBondContact O-CB 3.33Å; L267-D271 PolarHBondContact O-N 3.4Å; L267-E330 HydrophobicContact CD2-CG 4.44Å
268	S	96.6	Very high	95.1	Very high	15 Å²	15	40.9 Å²	40.9	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-38.7	176.9	-58.4	0	0	0	0	113.1	Q240 S252 Q264 S272	Q240-S268 PolarHBondContact NE2-OG 3.34Å; S252-S268 WeakPolarHBondContact OG-CB 3.13Å; Q264-S268 PolarHBondContact O-N 3.34Å; Q264-S268 VanDerWaalsContact O-N 3.11Å; Q264-S268 PolarHBondContact O-OG 2.81Å; S268-S272 VanDerWaalsContact O-CB 3.28Å; S268-S272 WeakPolarHBondContact O-CB 3.5Å; S268-S272 PolarHBondContact O-N 3.35Å; S268-S272 PolarHBondContact O-OG 2.73Å
269	Y	97.7	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-48.4	176.9	173.8	-107.6	0	0	0	111.5	N249 Y253 L256 F265 Y266 L267 S272 L273 Q296 A302 F305	N249-Y269 VanDerWaalsContact ND2-CD2 3.33Å; N249-Y269 WeakPolarHBondContact ND2-CD2 3.27Å; N249-Y269 VanDerWaalsContact ND2-CE2 3.34Å; N249-Y269 WeakPolarHBondContact ND2-CE2 3.33Å; N249-Y269 PolarHBondContact ND2-O 3.11Å; Y253-Y269 HydrophobicContact CD2-CE2 4.28Å; L256-Y269 HydrophobicContact CD1-CG 4.43Å; F265-Y269 WeakPolarHBondContact O-CB 3.41Å; F265-Y269 PolarHBondContact O-N 3.46Å; Y266-Y269 PolarHBondContact O-N 3.35Å; L267-Y269 VanDerWaalsContact C-N 3.34Å; L267-Y269 PolarHBondContact O-N 2.94Å; Y269-S272 PolarHBondContact O-OG 3Å; Y269-L273 VanDerWaalsContact O-CB 3.27Å; Y269-L273 WeakPolarHBondContact O-CB 3.24Å; Y269-L273 PolarHBondContact O-N 3.38Å; Y269-Q296 HydrophobicContact CE2-CB 4.01Å; Y269-Q296 HydrophobicContact CE2-CG 4.01Å; Y269-A302 HydrophobicContact CE1-CB 4.14Å; Y269-A302 WeakPolarHBondContact OH-CA 3.32Å; Y269-F305 HydrophobicContact CD1-CD1 4.46Å; Y269-F305 HydrophobicContact CD1-CE1 4.49Å; Y269-F305 AromaticContact CE1-CD1 3.81Å; Y269-F305 HydrophobicContact CE1-CD1 3.81Å; Y269-F305 HydrophobicContact CE1-CE1 4.24Å; Y269-F305 AromaticContact CZ-CD1 3.99Å
270	F	97.1	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-43.3	178.3	-63.6	-39.5	0	0	0	112	Y266 L267 S272 L273 F274 V306 A327 E330 L331 R334	Y266-F270 HydrophobicContact CD1-CE2 4.26Å; Y266-F270 HydrophobicContact CD1-CZ 4.14Å; Y266-F270 WeakPolarHBondContact O-CD2 3.38Å; Y266-F270 WeakPolarHBondContact O-CG 3.36Å; Y266-F270 PolarHBondContact O-N 3.47Å; L267-F270 PolarHBondContact O-N 3.02Å; F270-S272 PolarHBondContact O-N 3.2Å; F270-L273 PolarHBondContact O-N 2.79Å; F270-F274 HydrophobicContact CB-CD2 4.39Å; F270-F274 HydrophobicContact CB-CE2 4.15Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 WeakPolarHBondContact O-CD2 3.37Å; F270-F274 WeakPolarHBondContact O-CG 3.31Å; F270-F274 PolarHBondContact O-N 3.11Å; F270-V306 HydrophobicContact CE1-CG2 4Å; F270-V306 HydrophobicContact CZ-CG2 3.87Å; F270-A327 HydrophobicContact CE2-CB 4.23Å; F270-A327 HydrophobicContact CZ-CB 4.11Å; F270-A327 WeakPolarHBondContact CZ-O 3.49Å; F270-E330 HydrophobicContact CD2-CG 3.96Å; F270-E330 HydrophobicContact CE2-CB 4.16Å; F270-E330 HydrophobicContact CE2-CG 4Å; F270-L331 HydrophobicContact CD1-CD1 3.93Å; F270-L331 HydrophobicContact CE1-CB 4.05Å; F270-L331 HydrophobicContact CE1-CD1 3.88Å; F270-L331 HydrophobicContact CE1-CD2 4.15Å; F270-L331 HydrophobicContact CE1-CG 4.24Å; F270-L331 HydrophobicContact CE2-CB 4.44Å; F270-L331 HydrophobicContact CZ-CB 3.9Å; F270-R334 VanDerWaalsContact CB-NH1 3.35Å
271	D	96.5	Very high	94.6	Very high	67 Å²	67	43.2 Å²	43.2	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-57.2	-49.5	176.2	-71.4	-24.9	0	0	0	111.1	L267 F274 H275 R334	L267-D271 WeakPolarHBondContact O-CB 3.33Å; L267-D271 PolarHBondContact O-N 3.4Å; D271-F274 PolarHBondContact O-N 2.85Å; D271-H275 PolarHBondContact O-CD2 3.31Å; D271-H275 PolarHBondContact O-N 3.07Å; D271-H275 VanDerWaalsContact O-N 3.12Å; D271-R334 IonicContact OD1-CZ 3.68Å; D271-R334 IonicContact OD1-NH1 2.66Å; D271-R334 PolarHBondContact OD1-NH1 2.89Å; D271-R334 IonicContact OD1-NH2 3.64Å
272	S	97.1	Very high	94	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-43.1	179.7	58.1	0	0	0	0	112.9	N249 S268 Y269 F270 F274 H275 L276	N249-S272 VanDerWaalsContact CA-OG 3.25Å; N249-S272 WeakPolarHBondContact CA-OG 3.22Å; N249-S272 WeakPolarHBondContact CB-OG 3.48Å; N249-S272 PolarHBondContact N-OG 2.92Å; N249-S272 PolarHBondContact ND2-OG 2.93Å; S268-S272 VanDerWaalsContact O-CB 3.28Å; S268-S272 WeakPolarHBondContact O-CB 3.5Å; S268-S272 PolarHBondContact O-N 3.35Å; S268-S272 PolarHBondContact O-OG 2.73Å; Y269-S272 PolarHBondContact O-OG 3Å; F270-S272 PolarHBondContact O-N 3.2Å; S272-F274 VanDerWaalsContact C-N 3.32Å; S272-F274 PolarHBondContact O-N 3.27Å; S272-H275 PolarHBondContact O-N 3.41Å; S272-L276 VanDerWaalsContact O-CG 3.26Å; S272-L276 WeakPolarHBondContact O-CG 3.47Å; S272-L276 PolarHBondContact O-N 3.03Å
273	L	96	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-49.5	175.2	174.6	73.3	0	0	0	111.1	Y269 F270 H275 L276 M277 Q296 A302	Y269-L273 VanDerWaalsContact O-CB 3.27Å; Y269-L273 WeakPolarHBondContact O-CB 3.24Å; Y269-L273 PolarHBondContact O-N 3.38Å; F270-L273 PolarHBondContact O-N 2.79Å; L273-H275 VanDerWaalsContact C-N 3.32Å; L273-H275 PolarHBondContact O-N 3.06Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 3.48Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L273-M277 HydrophobicContact CG-SD 4.31Å; L273-M277 WeakPolarHBondContact O-CG 3.15Å; L273-M277 PolarHBondContact O-N 3.24Å; L273-Q296 WeakPolarHBondContact CD1-O 3.26Å; L273-A302 HydrophobicContact CD2-CB 3.31Å
274	F	95.2	Very high	92.3	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-35.2	-176.4	-77.4	-41.5	0	0	0	112.7	F270 D271 S272 M277 D278 L331 R334 L335 R338	F270-F274 HydrophobicContact CB-CD2 4.39Å; F270-F274 HydrophobicContact CB-CE2 4.15Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 WeakPolarHBondContact O-CD2 3.37Å; F270-F274 WeakPolarHBondContact O-CG 3.31Å; F270-F274 PolarHBondContact O-N 3.11Å; D271-F274 PolarHBondContact O-N 2.85Å; S272-F274 VanDerWaalsContact C-N 3.32Å; S272-F274 PolarHBondContact O-N 3.27Å; F274-M277 HydrophobicContact CD1-SD 3.88Å; F274-M277 HydrophobicContact CE1-SD 4.25Å; F274-D278 PolarHBondContact O-N 3.17Å; F274-L331 HydrophobicContact CE2-CD1 4.43Å; F274-L331 HydrophobicContact CZ-CD1 3.86Å; F274-R334 HydrophobicContact CD2-CB 4.45Å; F274-R334 HydrophobicContact CE2-CB 3.52Å; F274-R334 HydrophobicContact CE2-CG 4.22Å; F274-R334 HydrophobicContact CZ-CB 3.9Å; F274-L335 HydrophobicContact CE1-CD2 3.8Å; F274-L335 HydrophobicContact CZ-CD2 3.95Å; F274-L335 HydrophobicContact CZ-CG 4.34Å; F274-R338 VanDerWaalsContact CA-NH1 3.33Å; F274-R338 VanDerWaalsContact CG-NH1 3.33Å; F274-R338 PolarHBondContact O-NH1 2.98Å; F274-R338 VanDerWaalsContact O-NH1 3.13Å
275	H	95.4	Very high	91	Very high	73 Å²	73	53 Å²	53	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-36.9	170.4	-80.3	-56.7	0	0	0	113.6	W245 D271 S272 L273 M277 D278 K279	W245-H275 HydrophobicContact CB-CB 4.37Å; W245-H275 HydrophobicContact CD2-CB 3.68Å; W245-H275 AromaticContact CD2-CD2 3.83Å; W245-H275 AromaticContact CD2-CG 3.92Å; W245-H275 AromaticContact CE2-CD2 3.49Å; W245-H275 VanDerWaalsContact CE2-CD2 3.49Å; W245-H275 AromaticContact CE2-CG 3.53Å; W245-H275 HydrophobicContact CE3-CB 4.36Å; W245-H275 AromaticContact CE3-CD2 3.9Å; W245-H275 HydrophobicContact CG-CB 3.65Å; W245-H275 AromaticContact CH2-CD2 3.38Å; W245-H275 WeakPolarHBondContact CH2-CD2 3.31Å; W245-H275 AromaticContact CH2-NE2 3.6Å; W245-H275 HydrophobicContact CZ2-CB 4.38Å; W245-H275 AromaticContact CZ2-CD2 3.28Å; W245-H275 WeakPolarHBondContact CZ2-CD2 3.25Å; W245-H275 AromaticContact CZ2-CG 3.72Å; W245-H275 AromaticContact CZ2-NE2 3.49Å; W245-H275 WeakPolarHBondContact CZ2-NE2 3.4Å; W245-H275 AromaticContact CZ3-CD2 3.69Å; W245-H275 AromaticContact NE1-CG 3.72Å; D271-H275 PolarHBondContact O-CD2 3.31Å; D271-H275 PolarHBondContact O-N 3.07Å; D271-H275 VanDerWaalsContact O-N 3.12Å; S272-H275 PolarHBondContact O-N 3.41Å; L273-H275 VanDerWaalsContact C-N 3.32Å; L273-H275 PolarHBondContact O-N 3.06Å; H275-M277 VanDerWaalsContact C-N 3.34Å; H275-D278 PolarHBondContact O-N 3.32Å; H275-K279 WeakPolarHBondContact O-CB 3.48Å; H275-K279 WeakPolarHBondContact O-CG 3.35Å; H275-K279 PolarHBondContact O-N 2.93Å
276	L	94.1	Very high	89.3	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-41.7	175.2	-70.7	169.4	0	0	0	111.3	W245 P246 N249 S272 L273 K279 S280 W281 V295	W245-L276 HydrophobicContact CB-CD2 3.81Å; W245-L276 HydrophobicContact CB-CG 3.91Å; P246-L276 HydrophobicContact CB-CD2 4.41Å; P246-L276 HydrophobicContact CG-CD2 3.72Å; N249-L276 HydrophobicContact CB-CD1 3.86Å; S272-L276 VanDerWaalsContact O-CG 3.26Å; S272-L276 WeakPolarHBondContact O-CG 3.47Å; S272-L276 PolarHBondContact O-N 3.03Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 3.48Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L276-K279 CarbonylContact O-C 3.59Å; L276-K279 PolarHBondContact O-N 2.59Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-W281 HydrophobicContact CB-CB 4.41Å; L276-W281 HydrophobicContact CD2-CB 3.78Å; L276-W281 HydrophobicContact CD2-CD2 3.96Å; L276-W281 HydrophobicContact CD2-CE3 4.2Å; L276-W281 HydrophobicContact CD2-CG 3.78Å; L276-W281 PolarHBondContact O-N 2.9Å; L276-V295 HydrophobicContact CD1-CG1 3.61Å
277	M	91.8	Very high	87.4	Confident	48 Å²	48	64.5 Å²	64.5	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-46.9	174.4	-69.8	175	58.4	0	0	112	L273 F274 H275 K279 S280 T297 V299	L273-M277 HydrophobicContact CG-SD 4.31Å; L273-M277 WeakPolarHBondContact O-CG 3.15Å; L273-M277 PolarHBondContact O-N 3.24Å; F274-M277 HydrophobicContact CD1-SD 3.88Å; F274-M277 HydrophobicContact CE1-SD 4.25Å; H275-M277 VanDerWaalsContact C-N 3.34Å; M277-K279 PolarHBondContact O-N 2.76Å; M277-S280 PolarHBondContact O-N 3.03Å; M277-T297 VanDerWaalsContact CG-O 3.27Å; M277-T297 WeakPolarHBondContact CG-O 3.39Å; M277-V299 HydrophobicContact CE-CG2 3.33Å; M277-V299 HydrophobicContact SD-CG2 3.52Å; M277-V299 VanDerWaalsContact SD-CG2 3.52Å
278	D	92.1	Very high	85.7	Confident	98 Å²	98	70.7 Å²	70.7	52%	0.524	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-35.4	179.2	-68.2	-18.1	0	0	0	112	F274 H275 S280 R338	F274-D278 PolarHBondContact O-N 3.17Å; H275-D278 PolarHBondContact O-N 3.32Å; D278-S280 VanDerWaalsContact C-N 3.29Å; D278-R338 IonicContact OD1-CZ 3.96Å; D278-R338 IonicContact OD1-NH1 3.37Å; D278-R338 PolarHBondContact OD1-NH1 3.12Å; D278-R338 IonicContact OD1-NH2 3.68Å; D278-R338 PolarHBondContact OD1-NH2 3.3Å; D278-R338 IonicContact OD2-NH1 3.02Å
279	K	91.7	Very high	84.6	Confident	113 Å²	113	75.5 Å²	75.5	49%	0.491	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.2	175.9	-67.6	-177	179.8	-174.2	0	113.4	H275 L276 M277 W281	H275-K279 WeakPolarHBondContact O-CB 3.48Å; H275-K279 WeakPolarHBondContact O-CG 3.35Å; H275-K279 PolarHBondContact O-N 2.93Å; L276-K279 CarbonylContact O-C 3.59Å; L276-K279 PolarHBondContact O-N 2.59Å; M277-K279 PolarHBondContact O-N 2.76Å; K279-W281 PolarHBondContact O-N 3.04Å
280	S	88.5	Confident	83.9	Confident	105 Å²	105	76.5 Å²	76.5	73%	0.734	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.8	-173.9	-60.3	0	0	0	0	112.3	L276 M277 D278	L276-S280 PolarHBondContact O-N 3.49Å; M277-S280 PolarHBondContact O-N 3.03Å; D278-S280 VanDerWaalsContact C-N 3.29Å
281	W	89.3	Confident	83.3	Confident	72 Å²	72	79.7 Å²	79.7	27%	0.273	42%	0.42	S	S	.	.			trans	-69.9	135	-174.8	-177.2	90.9	0	0	0	111.2	P246 L276 K279 Q283 V295 T297	P246-W281 HydrophobicContact CB-CH2 4.32Å; P246-W281 HydrophobicContact CB-CZ2 3.98Å; P246-W281 HydrophobicContact CG-CD2 4.2Å; P246-W281 HydrophobicContact CG-CZ2 3.91Å; L276-W281 HydrophobicContact CB-CB 4.41Å; L276-W281 HydrophobicContact CD2-CB 3.78Å; L276-W281 HydrophobicContact CD2-CD2 3.96Å; L276-W281 HydrophobicContact CD2-CE3 4.2Å; L276-W281 HydrophobicContact CD2-CG 3.78Å; L276-W281 PolarHBondContact O-N 2.9Å; K279-W281 PolarHBondContact O-N 3.04Å; W281-Q283 HydrophobicContact CH2-CB 3.98Å; W281-Q283 HydrophobicContact CH2-CG 4.34Å; W281-Q283 HydrophobicContact CZ3-CB 4.28Å; W281-V295 HydrophobicContact CE3-CG1 4.32Å; W281-V295 HydrophobicContact CH2-CB 4.01Å; W281-V295 HydrophobicContact CH2-CG1 4.12Å; W281-V295 HydrophobicContact CH2-CG2 4.01Å; W281-V295 HydrophobicContact CZ3-CB 3.89Å; W281-V295 HydrophobicContact CZ3-CG1 3.7Å; W281-V295 HydrophobicContact CZ3-CG2 4.39Å; W281-T297 HydrophobicContact CE3-CG2 3.39Å; W281-T297 HydrophobicContact CZ3-CG2 3.43Å; W281-T297 VanDerWaalsContact CZ3-CG2 3.43Å
282	S	80.9	Confident	83	Confident	90 Å²	90	77.8 Å²	77.8	63%	0.629	41%	0.409	S	S	*	.			trans	-124.7	147.1	172.8	59	0	0	0	0	110.1
283	Q	77.1	Confident	82.6	Confident	108 Å²	108	79.2 Å²	79.2	51%	0.505	42%	0.424	S	S	.	.			trans	-62.9	131.8	176.2	-169.4	169.8	1.3	0	0	110.1	W281 E285 H289	W281-Q283 HydrophobicContact CH2-CB 3.98Å; W281-Q283 HydrophobicContact CH2-CG 4.34Å; W281-Q283 HydrophobicContact CZ3-CB 4.28Å; Q283-E285 PolarHBondContact O-N 3.4Å; Q283-H289 PolarHBondContact NE2-ND1 3.13Å
284	P	76.4	Confident	82.3	Confident	55 Å²	55	83.2 Å²	83.2	36%	0.357	45%	0.45	S	S	.	.			trans	-63.3	132	176.7	-20	30.9	0	0	0	111.6
285	E	67.6	Low	82.1	Confident	197 Å²	197	83 Å²	83	92%	0.921	45%	0.45	S	S	*	.	S	Bend	trans	-72	-32.2	174.9	-67	-173.9	167.8	0	0	112.3	Q283	Q283-E285 PolarHBondContact O-N 3.4Å
286	E	59.4	Low	81.9	Confident	188 Å²	188	80.9 Å²	80.9	88%	0.879	44%	0.44	S	S	*	.	S	Bend	trans	-129.5	123.7	170.7	-71.5	-175.8	162.8	0	0	109.1
287	G	59.2	Low	81.7	Confident	54 Å²	54	82.4 Å²	82.4	56%	0.557	45%	0.45	S	S	*	.	S	Bend	trans	145.3	-174.7	179.5	0	0	0	0	0	114.6	H289	G287-H289 PolarHBondContact O-N 3.3Å
288	E	59.1	Low	81.6	Confident	183 Å²	183	83 Å²	83	86%	0.855	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-71.3	120	175.6	-71.5	-174	168	0	0	110.6
289	H	74.1	Confident	81.6	Confident	117 Å²	117	78.7 Å²	78.7	54%	0.542	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-70.6	157.7	172.5	-64.2	-54.8	0	0	0	111.3	Q283 G287 V291	Q283-H289 PolarHBondContact NE2-ND1 3.13Å; G287-H289 PolarHBondContact O-N 3.3Å; H289-V291 PolarHBondContact O-N 3.35Å; H289-V291 VanDerWaalsContact O-N 3.14Å
290	C	82.7	Confident	81.6	Confident	21 Å²	21	76.2 Å²	76.2	14%	0.142	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-51.9	123.2	174.1	177.6	0	0	0	0	110.3	E292 G293 V295	C290-E292 PolarHBondContact O-N 3.09Å; C290-G293 WeakPolarHBondContact CB-O 3.29Å; C290-G293 PolarHBondContact O-N 3.49Å; C290-G293 VanDerWaalsContact O-N 3.16Å; C290-V295 HydrophobicContact CB-CG2 3.52Å
291	V	86	Confident	81.8	Confident	67 Å²	67	74.1 Å²	74.1	41%	0.406	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.9	-172.8	-63.8	0	0	0	0	113.7	E247 H289	E247-V291 HydrophobicContact CG-CG2 3.95Å; H289-V291 PolarHBondContact O-N 3.35Å; H289-V291 VanDerWaalsContact O-N 3.14Å
292	E	90.3	Very high	82.1	Confident	26 Å²	26	70.7 Å²	70.7	12%	0.121	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-11.8	179.9	-63.5	-63.9	173.3	0	0	113.1	Y239 E247 A250 L251 K254 C290	Y239-E292 HydrophobicContact CE2-CG 3.89Å; Y239-E292 WeakPolarHBondContact CE2-OE1 3.41Å; Y239-E292 PolarHBondContact OH-OE1 3.41Å; E247-E292 HydrophobicContact CB-CG 4.39Å; A250-E292 HydrophobicContact CB-CB 3.84Å; L251-E292 HydrophobicContact CB-CB 4.21Å; L251-E292 HydrophobicContact CB-CG 4.04Å; K254-E292 IonicContact NZ-OE2 3.03Å; C290-E292 PolarHBondContact O-N 3.09Å
293	G	88.1	Confident	82.7	Confident	31 Å²	31	66.9 Å²	66.9	32%	0.32	37%	0.373	S	S	.	.	S	Bend	trans	120.3	-150.9	176.4	0	0	0	0	0	113.8	C290	C290-G293 WeakPolarHBondContact CB-O 3.29Å; C290-G293 PolarHBondContact O-N 3.49Å; C290-G293 VanDerWaalsContact O-N 3.16Å
294	P	88.4	Confident	83.5	Confident	83 Å²	83	68.1 Å²	68.1	54%	0.539	38%	0.376	S	S	.	.			trans	-66.7	136.8	-174.8	27.9	-34.1	0	0	0	111.8	A250 Y253	A250-P294 WeakPolarHBondContact CA-O 3.37Å; A250-P294 WeakPolarHBondContact CB-O 3.45Å; Y253-P294 HydrophobicContact CD1-CG 4.4Å; Y253-P294 HydrophobicContact CE1-CG 4.17Å
295	V	91.9	Very high	84.4	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.079	36%	0.36	C	S	.	.			trans	-104.4	137.5	-179.5	-176.1	0	0	0	0	108.8	P246 N249 A250 L276 W281 C290 T297	P246-V295 HydrophobicContact CB-CG1 4.18Å; P246-V295 HydrophobicContact CB-CG2 3.93Å; N249-V295 HydrophobicContact CB-CG1 4.22Å; A250-V295 HydrophobicContact CB-CG2 4.11Å; L276-V295 HydrophobicContact CD1-CG1 3.61Å; W281-V295 HydrophobicContact CE3-CG1 4.32Å; W281-V295 HydrophobicContact CH2-CB 4.01Å; W281-V295 HydrophobicContact CH2-CG1 4.12Å; W281-V295 HydrophobicContact CH2-CG2 4.01Å; W281-V295 HydrophobicContact CZ3-CB 3.89Å; W281-V295 HydrophobicContact CZ3-CG1 3.7Å; W281-V295 HydrophobicContact CZ3-CG2 4.39Å; C290-V295 HydrophobicContact CB-CG2 3.52Å; V295-T297 HydrophobicContact CG1-CG2 4.08Å
296	Q	91.2	Very high	85.7	Confident	27 Å²	27	56.4 Å²	56.4	13%	0.126	32%	0.317	C	S	.	.			trans	-99.1	130.8	172.2	-54.6	-65.5	-91	0	0	108.5	N249 Y253 Y269 L273 E301	N249-Q296 WeakPolarHBondContact OD1-CB 3.2Å; N249-Q296 PolarHBondContact OD1-N 3Å; N249-Q296 PolarHBondContact OD1-O 3.09Å; Y253-Q296 HydrophobicContact CD2-CG 3.98Å; Y253-Q296 HydrophobicContact CE2-CG 4.2Å; Y253-Q296 HydrophobicContact CG-CG 4.37Å; Y269-Q296 HydrophobicContact CE2-CB 4.01Å; Y269-Q296 HydrophobicContact CE2-CG 4.01Å; L273-Q296 WeakPolarHBondContact CD1-O 3.26Å; Q296-E301 HydrophobicContact CB-CB 4.36Å
297	T	89.2	Confident	87.4	Confident	34 Å²	34	49.5 Å²	49.5	21%	0.209	29%	0.287	C	S	.	.			trans	-125.1	-17.2	-168.8	63.1	0	0	0	0	113.2	M277 W281 V295 E301	M277-T297 VanDerWaalsContact CG-O 3.27Å; M277-T297 WeakPolarHBondContact CG-O 3.39Å; W281-T297 HydrophobicContact CE3-CG2 3.39Å; W281-T297 HydrophobicContact CZ3-CG2 3.43Å; W281-T297 VanDerWaalsContact CZ3-CG2 3.43Å; V295-T297 HydrophobicContact CG1-CG2 4.08Å; T297-E301 PolarHBondContact N-OE2 2.94Å
298	T	90.7	Very high	89.1	Confident	61 Å²	61	49.7 Å²	49.7	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	-115.3	155.3	-174.7	65.6	0	0	0	0	112.7	A300 E301 A302	T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.06Å; T298-E301 PolarHBondContact N-OE2 3.49Å; T298-E301 PolarHBondContact O-N 2.8Å; T298-E301 WeakPolarHBondContact OG1-CB 3.46Å; T298-E301 VanDerWaalsContact OG1-CD 3.28Å; T298-E301 WeakPolarHBondContact OG1-CG 3.44Å; T298-E301 PolarHBondContact OG1-N 3.33Å; T298-E301 PolarHBondContact OG1-OE2 2.86Å; T298-A302 PolarHBondContact O-N 2.97Å
299	V	91.4	Very high	90.7	Very high	7 Å²	7	42 Å²	42	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-41.4	173.4	-178.5	0	0	0	0	110.9	M277 E301 A302 V303 L335 D342	M277-V299 HydrophobicContact CE-CG2 3.33Å; M277-V299 HydrophobicContact SD-CG2 3.52Å; M277-V299 VanDerWaalsContact SD-CG2 3.52Å; V299-E301 VanDerWaalsContact C-N 3.28Å; V299-E301 PolarHBondContact O-N 2.99Å; V299-A302 PolarHBondContact O-N 3.29Å; V299-V303 HydrophobicContact CG1-CG2 3.87Å; V299-V303 WeakPolarHBondContact O-CB 3.27Å; V299-V303 VanDerWaalsContact O-CG2 3.31Å; V299-V303 WeakPolarHBondContact O-CG2 3.12Å; V299-V303 PolarHBondContact O-N 2.66Å; V299-L335 HydrophobicContact CG1-CD1 3.92Å; V299-L335 HydrophobicContact CG1-CD2 3.74Å; V299-L335 HydrophobicContact CG2-CD2 4.03Å; V299-D342 HydrophobicContact CB-CB 4.44Å; V299-D342 HydrophobicContact CG1-CB 3.67Å
300	A	91.9	Very high	91.7	Very high	61 Å²	61	37.2 Å²	37.2	50%	0.504	22%	0.217	S	C	.	.	H	α-helix	trans	-58	-40	179.2	0	0	0	0	0	112.5	T298 K304	T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.06Å; A300-K304 VanDerWaalsContact O-CB 3.23Å; A300-K304 WeakPolarHBondContact O-CB 3.32Å; A300-K304 PolarHBondContact O-N 3.26Å
301	E	93.1	Very high	92.2	Very high	62 Å²	62	40.4 Å²	40.4	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-43.4	173.8	-77.2	168.8	144.7	0	0	112.3	Q296 T297 T298 V299 K304 F305	Q296-E301 HydrophobicContact CB-CB 4.36Å; T297-E301 PolarHBondContact N-OE2 2.94Å; T298-E301 PolarHBondContact N-OE2 3.49Å; T298-E301 PolarHBondContact O-N 2.8Å; T298-E301 WeakPolarHBondContact OG1-CB 3.46Å; T298-E301 VanDerWaalsContact OG1-CD 3.28Å; T298-E301 WeakPolarHBondContact OG1-CG 3.44Å; T298-E301 PolarHBondContact OG1-N 3.33Å; T298-E301 PolarHBondContact OG1-OE2 2.86Å; V299-E301 VanDerWaalsContact C-N 3.28Å; V299-E301 PolarHBondContact O-N 2.99Å; E301-K304 PolarHBondContact O-N 3.4Å; E301-F305 VanDerWaalsContact O-CB 3.27Å; E301-F305 WeakPolarHBondContact O-CB 3.04Å; E301-F305 PolarHBondContact O-N 2.98Å
302	A	94.6	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-40.6	179.1	0	0	0	0	0	112.7	Y269 L273 T298 V299 F305 V306 L331	Y269-A302 HydrophobicContact CE1-CB 4.14Å; Y269-A302 WeakPolarHBondContact OH-CA 3.32Å; L273-A302 HydrophobicContact CD2-CB 3.31Å; T298-A302 PolarHBondContact O-N 2.97Å; V299-A302 PolarHBondContact O-N 3.29Å; A302-F305 PolarHBondContact O-N 3Å; A302-V306 WeakPolarHBondContact O-CG2 3.23Å; A302-V306 PolarHBondContact O-N 3.36Å; A302-L331 HydrophobicContact CB-CD2 4.36Å
303	V	94.2	Very high	92.7	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-52.9	172.5	168.8	0	0	0	0	109.2	V299 F305 V306 V307 L331 E345 L346	V299-V303 HydrophobicContact CG1-CG2 3.87Å; V299-V303 WeakPolarHBondContact O-CB 3.27Å; V299-V303 VanDerWaalsContact O-CG2 3.31Å; V299-V303 WeakPolarHBondContact O-CG2 3.12Å; V299-V303 PolarHBondContact O-N 2.66Å; V303-F305 VanDerWaalsContact C-N 3.33Å; V303-F305 PolarHBondContact O-N 3.37Å; V303-V306 PolarHBondContact O-N 3.42Å; V303-V307 HydrophobicContact CG1-CG2 4.39Å; V303-V307 WeakPolarHBondContact O-CB 3.28Å; V303-V307 VanDerWaalsContact O-CG2 3.26Å; V303-V307 WeakPolarHBondContact O-CG2 3.33Å; V303-V307 PolarHBondContact O-N 2.9Å; V303-L331 HydrophobicContact CG2-CD2 4.22Å; V303-E345 HydrophobicContact CG1-CB 4.15Å; V303-L346 HydrophobicContact CB-CD2 4.25Å; V303-L346 HydrophobicContact CG1-CD2 3.89Å; V303-L346 HydrophobicContact CG1-CG 4.14Å; V303-L346 HydrophobicContact CG2-CD1 4.13Å; V303-L346 HydrophobicContact CG2-CD2 4.11Å; V303-L346 HydrophobicContact CG2-CG 3.95Å
304	K	94.4	Very high	92.9	Very high	134 Å²	134	42 Å²	42	58%	0.583	23%	0.227	S	C	*	.	H	α-helix	trans	-57.1	-46.4	176.9	-178.3	178.4	178.5	-178.8	0	111.6	A300 E301 V306 V307 D308	A300-K304 VanDerWaalsContact O-CB 3.23Å; A300-K304 WeakPolarHBondContact O-CB 3.32Å; A300-K304 PolarHBondContact O-N 3.26Å; E301-K304 PolarHBondContact O-N 3.4Å; K304-V306 PolarHBondContact O-N 2.95Å; K304-V307 PolarHBondContact O-N 3.33Å; K304-D308 VanDerWaalsContact O-CB 3.25Å; K304-D308 WeakPolarHBondContact O-CB 3.3Å; K304-D308 PolarHBondContact O-N 2.95Å
305	F	95.8	Very high	93	Very high	5 Å²	5	45 Å²	45	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-48.5	179.9	173.2	-110.1	0	0	0	112.1	Y253 L256 L257 Y266 Y269 E301 A302 V303 R309	Y253-F305 AromaticContact CD2-CD2 3.71Å; Y253-F305 HydrophobicContact CD2-CD2 3.71Å; Y253-F305 AromaticContact CD2-CE2 3.51Å; Y253-F305 HydrophobicContact CD2-CE2 3.51Å; Y253-F305 HydrophobicContact CD2-CG 4.26Å; Y253-F305 AromaticContact CD2-CZ 3.96Å; Y253-F305 HydrophobicContact CD2-CZ 3.96Å; Y253-F305 AromaticContact CE2-CD2 3.26Å; Y253-F305 HydrophobicContact CE2-CD2 3.26Å; Y253-F305 AromaticContact CE2-CE2 3.37Å; Y253-F305 HydrophobicContact CE2-CE2 3.37Å; Y253-F305 HydrophobicContact CE2-CG 4.06Å; Y253-F305 HydrophobicContact CE2-CZ 4.27Å; L256-F305 HydrophobicContact CB-CE1 4.4Å; L256-F305 HydrophobicContact CB-CZ 3.79Å; L256-F305 HydrophobicContact CD1-CE1 3.99Å; L256-F305 HydrophobicContact CD1-CZ 4.19Å; L257-F305 HydrophobicContact CD2-CE2 4.04Å; L257-F305 HydrophobicContact CG-CE2 4.43Å; Y266-F305 HydrophobicContact CE1-CE1 4.13Å; Y269-F305 HydrophobicContact CD1-CD1 4.46Å; Y269-F305 HydrophobicContact CD1-CE1 4.49Å; Y269-F305 AromaticContact CE1-CD1 3.81Å; Y269-F305 HydrophobicContact CE1-CD1 3.81Å; Y269-F305 HydrophobicContact CE1-CE1 4.24Å; Y269-F305 AromaticContact CZ-CD1 3.99Å; E301-F305 VanDerWaalsContact O-CB 3.27Å; E301-F305 WeakPolarHBondContact O-CB 3.04Å; E301-F305 PolarHBondContact O-N 2.98Å; A302-F305 PolarHBondContact O-N 3Å; V303-F305 VanDerWaalsContact C-N 3.33Å; V303-F305 PolarHBondContact O-N 3.37Å; F305-R309 HydrophobicContact CD2-CG 4.32Å; F305-R309 HydrophobicContact CE1-CG 4.41Å; F305-R309 HydrophobicContact CE2-CG 4Å; F305-R309 HydrophobicContact CZ-CG 4.04Å; F305-R309 VanDerWaalsContact O-CG 3.27Å; F305-R309 WeakPolarHBondContact O-CG 3.45Å; F305-R309 PolarHBondContact O-N 3.38Å
306	V	95.2	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-44.3	-179.6	173.1	0	0	0	0	111.1	F270 A302 V303 K304 R309 M310 A327 C328 L331	F270-V306 HydrophobicContact CE1-CG2 4Å; F270-V306 HydrophobicContact CZ-CG2 3.87Å; A302-V306 WeakPolarHBondContact O-CG2 3.23Å; A302-V306 PolarHBondContact O-N 3.36Å; V303-V306 PolarHBondContact O-N 3.42Å; K304-V306 PolarHBondContact O-N 2.95Å; V306-R309 PolarHBondContact O-N 2.88Å; V306-M310 HydrophobicContact CG1-SD 4.24Å; V306-M310 WeakPolarHBondContact O-CG 3.46Å; V306-M310 PolarHBondContact O-N 3.38Å; V306-A327 HydrophobicContact CG1-CB 4.41Å; V306-C328 HydrophobicContact CG1-CB 3.71Å; V306-L331 HydrophobicContact CG2-CD2 4.15Å
307	V	93.6	Very high	92.6	Very high	44 Å²	44	57.6 Å²	57.6	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-47.5	177.1	172.4	0	0	0	0	110.9	V303 K304 R309 M310 E311 L346	V303-V307 HydrophobicContact CG1-CG2 4.39Å; V303-V307 WeakPolarHBondContact O-CB 3.28Å; V303-V307 VanDerWaalsContact O-CG2 3.26Å; V303-V307 WeakPolarHBondContact O-CG2 3.33Å; V303-V307 PolarHBondContact O-N 2.9Å; K304-V307 PolarHBondContact O-N 3.33Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 3Å; V307-M310 WeakPolarHBondContact O-CB 3.4Å; V307-M310 PolarHBondContact O-N 3.29Å; V307-M310 VanDerWaalsContact O-N 3.1Å; V307-E311 HydrophobicContact CG1-CG 4.43Å; V307-E311 PolarHBondContact O-N 2.9Å; V307-L346 HydrophobicContact CG2-CD2 4.28Å
308	D	94.4	Very high	92.6	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	30%	0.304	S	S	.	.	H	α-helix	trans	-57.8	-43.3	177.1	-74.5	-10.3	0	0	0	110.9	K304 M310 E311 E312	K304-D308 VanDerWaalsContact O-CB 3.25Å; K304-D308 WeakPolarHBondContact O-CB 3.3Å; K304-D308 PolarHBondContact O-N 2.95Å; D308-M310 PolarHBondContact O-N 3.03Å; D308-E311 PolarHBondContact O-N 3.31Å; D308-E312 WeakPolarHBondContact O-CB 3.49Å; D308-E312 VanDerWaalsContact O-CG 3.3Å; D308-E312 WeakPolarHBondContact O-CG 3.31Å; D308-E312 PolarHBondContact O-N 3.48Å
309	R	94.6	Very high	92.5	Very high	20 Å²	20	61.9 Å²	61.9	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-38.1	177.1	-70.1	-61.2	86	69.5	-4.6	112.4	L257 F305 V306 V307 E312 Q313 P324	L257-R309 VanDerWaalsContact CD2-NH1 3.35Å; F305-R309 HydrophobicContact CD2-CG 4.32Å; F305-R309 HydrophobicContact CE1-CG 4.41Å; F305-R309 HydrophobicContact CE2-CG 4Å; F305-R309 HydrophobicContact CZ-CG 4.04Å; F305-R309 VanDerWaalsContact O-CG 3.27Å; F305-R309 WeakPolarHBondContact O-CG 3.45Å; F305-R309 PolarHBondContact O-N 3.38Å; V306-R309 PolarHBondContact O-N 2.88Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 3Å; R309-E312 IonicContact CZ-OE1 3.31Å; R309-E312 IonicContact CZ-OE2 3.11Å; R309-E312 IonicContact NE-OE1 2.97Å; R309-E312 IonicContact NE-OE2 3.21Å; R309-E312 PolarHBondContact NE-OE2 2.95Å; R309-E312 IonicContact NH2-OE1 2.78Å; R309-E312 PolarHBondContact NH2-OE1 3.09Å; R309-E312 IonicContact NH2-OE2 3.65Å; R309-E312 PolarHBondContact NH2-OE2 3.21Å; R309-Q313 WeakPolarHBondContact O-CG 3.43Å; R309-Q313 PolarHBondContact O-N 3.4Å; R309-Q313 PolarHBondContact O-NE2 2.69Å; R309-P324 HydrophobicContact CB-CB 4.05Å; R309-P324 HydrophobicContact CB-CG 4.26Å
310	M	93.9	Very high	92.6	Very high	17 Å²	17	62.9 Å²	62.9	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-48.1	175.2	-72.6	171.6	64.2	0	0	111.3	V306 V307 D308 E312 Q313 D314 P324 Y325 C328 L352	V306-M310 HydrophobicContact CG1-SD 4.24Å; V306-M310 WeakPolarHBondContact O-CG 3.46Å; V306-M310 PolarHBondContact O-N 3.38Å; V307-M310 WeakPolarHBondContact O-CB 3.4Å; V307-M310 PolarHBondContact O-N 3.29Å; V307-M310 VanDerWaalsContact O-N 3.1Å; D308-M310 PolarHBondContact O-N 3.03Å; M310-E312 VanDerWaalsContact C-N 3.29Å; M310-E312 PolarHBondContact O-N 3.35Å; M310-Q313 WeakPolarHBondContact O-CA 3.37Å; M310-Q313 WeakPolarHBondContact O-CB 3.46Å; M310-Q313 PolarHBondContact O-N 3.13Å; M310-D314 PolarHBondContact O-N 3.27Å; M310-P324 HydrophobicContact CG-CB 3.86Å; M310-Y325 HydrophobicContact CE-CD1 3.69Å; M310-Y325 HydrophobicContact CE-CE1 4.13Å; M310-Y325 HydrophobicContact CE-CG 4.49Å; M310-Y325 HydrophobicContact CG-CD1 4.39Å; M310-C328 HydrophobicContact CE-CB 4.44Å; M310-C328 HydrophobicContact SD-CB 3.53Å; M310-C328 VanDerWaalsContact SD-CB 3.53Å; M310-L352 HydrophobicContact CE-CD2 4.33Å
311	E	93.4	Very high	92.7	Very high	89 Å²	89	62.8 Å²	62.8	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-39.2	177.7	-73.7	-166.3	-177.3	0	0	112.4	V307 D308 Q313 D314 K315	V307-E311 HydrophobicContact CG1-CG 4.43Å; V307-E311 PolarHBondContact O-N 2.9Å; D308-E311 PolarHBondContact O-N 3.31Å; E311-Q313 VanDerWaalsContact C-N 3.26Å; E311-Q313 PolarHBondContact O-N 3.33Å; E311-D314 PolarHBondContact O-N 3.26Å; E311-D314 VanDerWaalsContact O-N 3.17Å; E311-K315 WeakPolarHBondContact O-CD 3.49Å; E311-K315 VanDerWaalsContact O-CG 3.28Å; E311-K315 WeakPolarHBondContact O-CG 3.44Å; E311-K315 PolarHBondContact O-N 3.1Å; E311-K315 IonicContact OE2-NZ 2.7Å; E311-K315 PolarHBondContact OE2-NZ 2.73Å
312	E	93.7	Very high	92.8	Very high	84 Å²	84	65.1 Å²	65.1	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-34.3	173.6	-80	176.2	-178.6	0	0	112.5	D308 R309 M310 K316	D308-E312 WeakPolarHBondContact O-CB 3.49Å; D308-E312 VanDerWaalsContact O-CG 3.3Å; D308-E312 WeakPolarHBondContact O-CG 3.31Å; D308-E312 PolarHBondContact O-N 3.48Å; R309-E312 IonicContact CZ-OE1 3.31Å; R309-E312 IonicContact CZ-OE2 3.11Å; R309-E312 IonicContact NE-OE1 2.97Å; R309-E312 IonicContact NE-OE2 3.21Å; R309-E312 PolarHBondContact NE-OE2 2.95Å; R309-E312 IonicContact NH2-OE1 2.78Å; R309-E312 PolarHBondContact NH2-OE1 3.09Å; R309-E312 IonicContact NH2-OE2 3.65Å; R309-E312 PolarHBondContact NH2-OE2 3.21Å; M310-E312 VanDerWaalsContact C-N 3.29Å; M310-E312 PolarHBondContact O-N 3.35Å; E312-K316 WeakPolarHBondContact O-CG 3.48Å
313	Q	93.2	Very high	92.9	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-72.4	-37.5	172.4	-60.1	-36.1	-67.3	0	0	111.6	R309 M310 E311 K315 K316 P320 L321 P324 Y325	R309-Q313 WeakPolarHBondContact O-CG 3.43Å; R309-Q313 PolarHBondContact O-N 3.4Å; R309-Q313 PolarHBondContact O-NE2 2.69Å; M310-Q313 WeakPolarHBondContact O-CA 3.37Å; M310-Q313 WeakPolarHBondContact O-CB 3.46Å; M310-Q313 PolarHBondContact O-N 3.13Å; E311-Q313 VanDerWaalsContact C-N 3.26Å; E311-Q313 PolarHBondContact O-N 3.33Å; Q313-K315 VanDerWaalsContact C-N 3.27Å; Q313-K315 PolarHBondContact O-N 3.05Å; Q313-K316 WeakPolarHBondContact O-CB 3.46Å; Q313-K316 PolarHBondContact O-N 2.84Å; Q313-P320 HydrophobicContact CB-CB 3.74Å; Q313-L321 HydrophobicContact CG-CB 4.44Å; Q313-P324 HydrophobicContact CG-CB 4.47Å; Q313-P324 HydrophobicContact CG-CG 3.91Å; Q313-Y325 HydrophobicContact CB-CE2 4.16Å; Q313-Y325 HydrophobicContact CG-CE2 4.47Å
314	D	91.2	Very high	93	Very high	71 Å²	71	64.8 Å²	64.8	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-28.5	178.5	-78.1	-14.2	0	0	0	113.1	M310 E311 K316 Y325 K359	M310-D314 PolarHBondContact O-N 3.27Å; E311-D314 PolarHBondContact O-N 3.26Å; E311-D314 VanDerWaalsContact O-N 3.17Å; D314-K316 VanDerWaalsContact C-N 3.31Å; D314-Y325 PolarHBondContact OD1-OH 3.47Å; D314-K359 WeakPolarHBondContact OD1-CE 3.47Å; D314-K359 IonicContact OD1-NZ 3.23Å; D314-K359 PolarHBondContact OD1-NZ 2.77Å; D314-K359 IonicContact OD2-NZ 2.91Å
315	K	91.9	Very high	93.1	Very high	147 Å²	147	58.8 Å²	58.8	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.9	176.6	-70.4	162.6	-168.6	158.4	0	113.4	E311 Q313	E311-K315 WeakPolarHBondContact O-CD 3.49Å; E311-K315 VanDerWaalsContact O-CG 3.28Å; E311-K315 WeakPolarHBondContact O-CG 3.44Å; E311-K315 PolarHBondContact O-N 3.1Å; E311-K315 IonicContact OE2-NZ 2.7Å; E311-K315 PolarHBondContact OE2-NZ 2.73Å; Q313-K315 VanDerWaalsContact C-N 3.27Å; Q313-K315 PolarHBondContact O-N 3.05Å
316	K	90.3	Very high	93.2	Very high	94 Å²	94	59.1 Å²	59.1	41%	0.409	28%	0.283	S	S	.	.			trans	-78.5	139.4	-179.8	-72.2	173.5	-173.7	179.5	0	111	E312 Q313 D314 S318	E312-K316 WeakPolarHBondContact O-CG 3.48Å; Q313-K316 WeakPolarHBondContact O-CB 3.46Å; Q313-K316 PolarHBondContact O-N 2.84Å; D314-K316 VanDerWaalsContact C-N 3.31Å; K316-S318 VanDerWaalsContact C-N 3.28Å
317	E	84.2	Confident	93.3	Very high	209 Å²	209	59.1 Å²	59.1	98%	0.977	28%	0.283	S	S	*	.	S	Bend	trans	-72.3	-25.4	170.3	-62.9	-176.3	172.3	0	0	112.1
318	S	89.3	Confident	93.4	Very high	78 Å²	78	57.1 Å²	57.1	55%	0.545	27%	0.271	S	S	.	.	S	Bend	trans	-79.1	162.2	173.8	61.9	0	0	0	0	111.5	K316	K316-S318 VanDerWaalsContact C-N 3.28Å
319	R	87.5	Confident	93.6	Very high	108 Å²	108	54.4 Å²	54.4	41%	0.408	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-57.3	130.3	179.2	-169.3	174.1	-172.4	131.2	4	110.2	K359 D362	R319-K359 PolarHBondContact NH2-O 3.37Å; R319-D362 IonicContact CZ-OD1 3.32Å; R319-D362 IonicContact CZ-OD2 2.68Å; R319-D362 IonicContact NH1-OD1 2.62Å; R319-D362 IonicContact NH1-OD2 4Å; R319-D362 PolarHBondContact NH1-OD2 2.72Å; R319-D362 VanDerWaalsContact NH2-CG 3.31Å; R319-D362 IonicContact NH2-OD1 3.9Å; R319-D362 PolarHBondContact NH2-OD1 3.16Å; R319-D362 IonicContact NH2-OD2 3.61Å; R319-D362 PolarHBondContact NH2-OD2 2.91Å
320	P	93.8	Very high	93.7	Very high	28 Å²	28	54.5 Å²	54.5	18%	0.182	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.9	151.5	-178.9	26	-35.7	0	0	0	111.7	Q313 Y325 K359 F360	Q313-P320 HydrophobicContact CB-CB 3.74Å; P320-Y325 HydrophobicContact CB-CE2 3.95Å; P320-Y325 WeakPolarHBondContact CB-OH 3.34Å; P320-K359 HydrophobicContact CG-CD 4.3Å; P320-F360 HydrophobicContact CB-CZ 4.38Å; P320-F360 HydrophobicContact CG-CE1 4.47Å; P320-F360 HydrophobicContact CG-CZ 4.08Å; P320-F360 VanDerWaalsContact O-CE1 3.31Å; P320-F360 WeakPolarHBondContact O-CE1 3.17Å
321	L	95.3	Very high	93.9	Very high	58 Å²	58	53.7 Å²	53.7	30%	0.304	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-77.8	146.7	172.7	-64.4	169.7	0	0	0	110.3	P260 D261 Q313 Y325	P260-L321 HydrophobicContact CG-CD1 3.82Å; D261-L321 HydrophobicContact CB-CB 4.31Å; D261-L321 HydrophobicContact CB-CD1 4.3Å; D261-L321 HydrophobicContact CB-CD2 4.33Å; Q313-L321 HydrophobicContact CG-CB 4.44Å; L321-Y325 VanDerWaalsContact O-CD2 3.23Å; L321-Y325 WeakPolarHBondContact O-CD2 3.47Å; L321-Y325 WeakPolarHBondContact O-CE2 3.43Å
322	R	95.1	Very high	94.1	Very high	112 Å²	112	49.5 Å²	49.5	42%	0.423	23%	0.234	S	C	.	.	S	Bend	trans	-79.8	-33.5	-173.2	62.8	-179.6	175.5	-139.7	-7.1	113.1	D261 Y325 L326 F356 F360	D261-R322 WeakPolarHBondContact OD1-CG 3.45Å; D261-R322 PolarHBondContact OD1-N 3.28Å; R322-Y325 PolarHBondContact O-N 3.28Å; R322-Y325 VanDerWaalsContact O-N 3.11Å; R322-L326 PolarHBondContact O-N 3.41Å; R322-F356 HydrophobicContact CB-CE2 4.34Å; R322-F360 HydrophobicContact CB-CE1 4.15Å; R322-F360 HydrophobicContact CB-CZ 4.13Å
323	G	96.1	Very high	94.2	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-49.4	-49.8	-172.8	0	0	0	0	0	114.1	D261 Y325 L326 A327	D261-G323 WeakPolarHBondContact OD1-CA 3.42Å; D261-G323 PolarHBondContact OD1-N 3.23Å; G323-Y325 VanDerWaalsContact C-N 3.33Å; G323-Y325 PolarHBondContact O-N 3.36Å; G323-L326 PolarHBondContact O-N 3.3Å; G323-A327 WeakPolarHBondContact O-CB 3.44Å; G323-A327 PolarHBondContact O-N 3.02Å
324	P	96.3	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-37.6	-179.2	-28	38.6	0	0	0	114	P260 R309 M310 Q313 A327 C328	P260-P324 HydrophobicContact CB-CG 4.14Å; P260-P324 WeakPolarHBondContact O-CD 3.4Å; R309-P324 HydrophobicContact CB-CB 4.05Å; R309-P324 HydrophobicContact CB-CG 4.26Å; M310-P324 HydrophobicContact CG-CB 3.86Å; Q313-P324 HydrophobicContact CG-CB 4.47Å; Q313-P324 HydrophobicContact CG-CG 3.91Å; P324-A327 PolarHBondContact O-N 3.07Å; P324-C328 PolarHBondContact O-N 3.47Å
325	Y	96.6	Very high	94.5	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-37.9	179.3	-56.7	-94.2	0	0	0	111.6	M310 Q313 D314 P320 L321 R322 G323 C328 L329 F356 K359 F360	M310-Y325 HydrophobicContact CE-CD1 3.69Å; M310-Y325 HydrophobicContact CE-CE1 4.13Å; M310-Y325 HydrophobicContact CE-CG 4.49Å; M310-Y325 HydrophobicContact CG-CD1 4.39Å; Q313-Y325 HydrophobicContact CB-CE2 4.16Å; Q313-Y325 HydrophobicContact CG-CE2 4.47Å; D314-Y325 PolarHBondContact OD1-OH 3.47Å; P320-Y325 HydrophobicContact CB-CE2 3.95Å; P320-Y325 WeakPolarHBondContact CB-OH 3.34Å; L321-Y325 VanDerWaalsContact O-CD2 3.23Å; L321-Y325 WeakPolarHBondContact O-CD2 3.47Å; L321-Y325 WeakPolarHBondContact O-CE2 3.43Å; R322-Y325 PolarHBondContact O-N 3.28Å; R322-Y325 VanDerWaalsContact O-N 3.11Å; G323-Y325 VanDerWaalsContact C-N 3.33Å; G323-Y325 PolarHBondContact O-N 3.36Å; Y325-C328 WeakPolarHBondContact O-CB 3.04Å; Y325-C328 PolarHBondContact O-N 2.85Å; Y325-L329 PolarHBondContact O-N 2.91Å; Y325-F356 HydrophobicContact CG-CD2 4.38Å; Y325-K359 HydrophobicContact CD1-CD 4.28Å; Y325-K359 HydrophobicContact CE1-CD 3.55Å; Y325-K359 HydrophobicContact CE2-CD 4.4Å; Y325-F360 AromaticContact CD2-CE2 3.75Å; Y325-F360 HydrophobicContact CD2-CE2 3.75Å; Y325-F360 HydrophobicContact CD2-CZ 4.01Å; Y325-F360 HydrophobicContact CE2-CE2 4.04Å; Y325-F360 HydrophobicContact CE2-CZ 4.03Å; Y325-F360 HydrophobicContact CG-CE2 4.19Å
326	L	97.5	Very high	94.6	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-69.4	-36.4	174	-62.8	177.7	0	0	0	111.5	W263 R322 G323 C328 L329 E330 F356 D369 Y373	W263-L326 HydrophobicContact CH2-CB 3.9Å; W263-L326 HydrophobicContact CZ3-CB 3.64Å; R322-L326 PolarHBondContact O-N 3.41Å; G323-L326 PolarHBondContact O-N 3.3Å; L326-C328 PolarHBondContact O-N 3.43Å; L326-L329 PolarHBondContact O-N 3.46Å; L326-E330 WeakPolarHBondContact O-CB 3.37Å; L326-E330 PolarHBondContact O-N 3.38Å; L326-F356 HydrophobicContact CD2-CD2 4.25Å; L326-F356 HydrophobicContact CD2-CE2 3.63Å; L326-F356 HydrophobicContact CD2-CZ 3.8Å; L326-F356 HydrophobicContact CG-CE2 3.87Å; L326-F356 HydrophobicContact CG-CZ 4.25Å; L326-D369 HydrophobicContact CD1-CB 4.16Å; L326-D369 HydrophobicContact CD2-CB 4.01Å; L326-Y373 HydrophobicContact CD2-CD2 4.46Å; L326-Y373 HydrophobicContact CD2-CE2 4.09Å
327	A	97.3	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-32.9	176.3	0	0	0	0	0	112.1	W263 Y266 F270 V306 G323 P324 L331	W263-A327 HydrophobicContact CZ3-CB 4.36Å; Y266-A327 HydrophobicContact CD1-CB 3.4Å; Y266-A327 HydrophobicContact CD2-CB 4.21Å; Y266-A327 HydrophobicContact CE1-CB 3.41Å; Y266-A327 VanDerWaalsContact CE1-CB 3.41Å; Y266-A327 HydrophobicContact CE2-CB 4.19Å; Y266-A327 HydrophobicContact CG-CB 3.82Å; F270-A327 HydrophobicContact CE2-CB 4.23Å; F270-A327 HydrophobicContact CZ-CB 4.11Å; F270-A327 WeakPolarHBondContact CZ-O 3.49Å; V306-A327 HydrophobicContact CG1-CB 4.41Å; G323-A327 WeakPolarHBondContact O-CB 3.44Å; G323-A327 PolarHBondContact O-N 3.02Å; P324-A327 PolarHBondContact O-N 3.07Å; A327-L331 WeakPolarHBondContact O-CB 3.21Å; A327-L331 PolarHBondContact O-N 2.85Å
328	C	96.8	Very high	95.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-48.9	172.7	-172.9	0	0	0	0	112.1	V306 M310 P324 Y325 L326 E330 L331 I332	V306-C328 HydrophobicContact CG1-CB 3.71Å; M310-C328 HydrophobicContact CE-CB 4.44Å; M310-C328 HydrophobicContact SD-CB 3.53Å; M310-C328 VanDerWaalsContact SD-CB 3.53Å; P324-C328 PolarHBondContact O-N 3.47Å; Y325-C328 WeakPolarHBondContact O-CB 3.04Å; Y325-C328 PolarHBondContact O-N 2.85Å; L326-C328 PolarHBondContact O-N 3.43Å; C328-E330 VanDerWaalsContact C-N 3.33Å; C328-E330 PolarHBondContact O-N 3.12Å; C328-L331 PolarHBondContact O-N 3.29Å; C328-I332 WeakPolarHBondContact O-CG1 3.22Å; C328-I332 PolarHBondContact O-N 3.07Å
329	L	97.6	Very high	95.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.5	-66.6	174	0	0	0	112.1	Y325 L326 I332 H333 L352 M353 L370 Y373 L376	Y325-L329 PolarHBondContact O-N 2.91Å; L326-L329 PolarHBondContact O-N 3.46Å; L329-I332 PolarHBondContact O-N 3.42Å; L329-H333 WeakPolarHBondContact O-CB 3.37Å; L329-H333 PolarHBondContact O-N 2.7Å; L329-L352 HydrophobicContact CD2-CB 3.88Å; L329-L352 HydrophobicContact CD2-CD1 4.24Å; L329-M353 HydrophobicContact CD1-CG 4.14Å; L329-M353 HydrophobicContact CD2-CE 4.49Å; L329-M353 HydrophobicContact CD2-CG 4.14Å; L329-L370 HydrophobicContact CD1-CD2 4.36Å; L329-Y373 HydrophobicContact CB-CD1 4.03Å; L329-Y373 HydrophobicContact CB-CD2 3.9Å; L329-Y373 HydrophobicContact CB-CE1 4.26Å; L329-Y373 HydrophobicContact CB-CE2 4.11Å; L329-Y373 HydrophobicContact CB-CG 3.89Å; L329-Y373 HydrophobicContact CD1-CD2 3.82Å; L329-Y373 HydrophobicContact CD1-CE2 4.48Å; L329-Y373 HydrophobicContact CD1-CG 4.2Å; L329-L376 HydrophobicContact CD2-CD1 4.43Å
330	E	97.6	Very high	95.2	Very high	22 Å²	22	34.3 Å²	34.3	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-43.8	175.1	-175.5	61.4	-157.8	0	0	112.2	W263 L267 F270 L326 C328 H333 R334 Y373	W263-E330 HydrophobicContact CH2-CB 3.87Å; W263-E330 HydrophobicContact CH2-CG 4.19Å; W263-E330 HydrophobicContact CZ2-CB 4.44Å; W263-E330 HydrophobicContact CZ2-CG 4.35Å; L267-E330 HydrophobicContact CD2-CG 4.44Å; F270-E330 HydrophobicContact CD2-CG 3.96Å; F270-E330 HydrophobicContact CE2-CB 4.16Å; F270-E330 HydrophobicContact CE2-CG 4Å; L326-E330 WeakPolarHBondContact O-CB 3.37Å; L326-E330 PolarHBondContact O-N 3.38Å; C328-E330 VanDerWaalsContact C-N 3.33Å; C328-E330 PolarHBondContact O-N 3.12Å; E330-H333 WeakPolarHBondContact O-CB 3.47Å; E330-H333 PolarHBondContact O-N 3.38Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.34Å; E330-R334 IonicContact OE1-CZ 3.01Å; E330-R334 IonicContact OE1-NE 3.42Å; E330-R334 PolarHBondContact OE1-NE 3.03Å; E330-R334 IonicContact OE1-NH2 2.9Å; E330-R334 PolarHBondContact OE1-NH2 3.21Å; E330-Y373 HydrophobicContact CB-CE1 4.3Å; E330-Y373 VanDerWaalsContact OE2-CE1 3.25Å; E330-Y373 WeakPolarHBondContact OE2-CE1 3.33Å; E330-Y373 PolarHBondContact OE2-OH 2.95Å
331	L	97.2	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-43.8	178	-176.9	57.3	0	0	0	111	F270 F274 A302 V303 V306 A327 C328 H333 R334 L335 L346	F270-L331 HydrophobicContact CD1-CD1 3.93Å; F270-L331 HydrophobicContact CE1-CB 4.05Å; F270-L331 HydrophobicContact CE1-CD1 3.88Å; F270-L331 HydrophobicContact CE1-CD2 4.15Å; F270-L331 HydrophobicContact CE1-CG 4.24Å; F270-L331 HydrophobicContact CE2-CB 4.44Å; F270-L331 HydrophobicContact CZ-CB 3.9Å; F274-L331 HydrophobicContact CE2-CD1 4.43Å; F274-L331 HydrophobicContact CZ-CD1 3.86Å; A302-L331 HydrophobicContact CB-CD2 4.36Å; V303-L331 HydrophobicContact CG2-CD2 4.22Å; V306-L331 HydrophobicContact CG2-CD2 4.15Å; A327-L331 WeakPolarHBondContact O-CB 3.21Å; A327-L331 PolarHBondContact O-N 2.85Å; C328-L331 PolarHBondContact O-N 3.29Å; L331-H333 VanDerWaalsContact C-N 3.31Å; L331-H333 PolarHBondContact O-N 3.46Å; L331-R334 PolarHBondContact O-N 3.39Å; L331-L335 HydrophobicContact CD1-CD1 4.13Å; L331-L335 HydrophobicContact CD1-CG 4.1Å; L331-L335 HydrophobicContact CG-CD1 3.94Å; L331-L335 HydrophobicContact CG-CG 4.36Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.41Å; L331-L335 PolarHBondContact O-N 3.03Å; L331-L346 HydrophobicContact CB-CD1 4.07Å; L331-L346 HydrophobicContact CD2-CD1 3.73Å; L331-L346 HydrophobicContact CD2-CD2 4.09Å; L331-L346 HydrophobicContact CG-CD1 3.68Å
332	I	96.8	Very high	94.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-46.5	172.7	-67.5	170.6	0	0	0	110.5	C328 L329 R334 L335 R336 L346 P349 L352	C328-I332 WeakPolarHBondContact O-CG1 3.22Å; C328-I332 PolarHBondContact O-N 3.07Å; L329-I332 PolarHBondContact O-N 3.42Å; I332-R334 VanDerWaalsContact C-N 3.32Å; I332-R334 PolarHBondContact O-N 3.03Å; I332-L335 PolarHBondContact O-N 3.42Å; I332-R336 HydrophobicContact CG2-CG 4.34Å; I332-R336 WeakPolarHBondContact O-CB 3.49Å; I332-R336 WeakPolarHBondContact O-CG 3.47Å; I332-R336 PolarHBondContact O-N 3.21Å; I332-L346 HydrophobicContact CD1-CB 3.82Å; I332-L346 HydrophobicContact CG1-CB 3.68Å; I332-L346 HydrophobicContact CG1-CD1 3.62Å; I332-L346 HydrophobicContact CG1-CG 4.28Å; I332-P349 HydrophobicContact CD1-CG 4.28Å; I332-P349 HydrophobicContact CG2-CG 4Å; I332-L352 HydrophobicContact CD1-CD1 3.32Å
333	H	96	Very high	93.8	Very high	38 Å²	38	33.7 Å²	33.7	18%	0.176	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-47.1	179.7	173.1	44	0	0	0	112.1	L329 E330 L331 Q337 H375 L376	L329-H333 WeakPolarHBondContact O-CB 3.37Å; L329-H333 PolarHBondContact O-N 2.7Å; E330-H333 WeakPolarHBondContact O-CB 3.47Å; E330-H333 PolarHBondContact O-N 3.38Å; L331-H333 VanDerWaalsContact C-N 3.31Å; L331-H333 PolarHBondContact O-N 3.46Å; H333-Q337 PolarHBondContact CE1-NE2 2.76Å; H333-Q337 PolarHBondContact NE2-NE2 3.32Å; H333-Q337 WeakPolarHBondContact O-CG 3.33Å; H333-Q337 PolarHBondContact O-N 3.47Å; H333-Q337 VanDerWaalsContact O-N 3.17Å; H333-H375 AromaticContact CE1-NE2 3.26Å; H333-H375 PolarHBondContact CE1-NE2 3.37Å; H333-H375 VanDerWaalsContact CE1-NE2 3.26Å; H333-H375 AromaticContact CG-NE2 3.68Å; H333-H375 AromaticContact ND1-CD2 3.92Å; H333-H375 AromaticContact ND1-NE2 3.03Å; H333-H375 PolarHBondContact ND1-NE2 3.17Å; H333-H375 AromaticContact NE2-NE2 3.99Å; H333-L376 HydrophobicContact CB-CD1 4.44Å; H333-L376 HydrophobicContact CB-CD2 4.07Å
334	R	95.9	Very high	93.2	Very high	31 Å²	31	41.5 Å²	41.5	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-71.3	-39.6	-179.2	-65.9	178	179.9	-137.8	-1	112.6	F270 D271 F274 E330 L331 I332 R336 Q337 R338	F270-R334 VanDerWaalsContact CB-NH1 3.35Å; D271-R334 IonicContact OD1-CZ 3.68Å; D271-R334 IonicContact OD1-NH1 2.66Å; D271-R334 PolarHBondContact OD1-NH1 2.89Å; D271-R334 IonicContact OD1-NH2 3.64Å; F274-R334 HydrophobicContact CD2-CB 4.45Å; F274-R334 HydrophobicContact CE2-CB 3.52Å; F274-R334 HydrophobicContact CE2-CG 4.22Å; F274-R334 HydrophobicContact CZ-CB 3.9Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.34Å; E330-R334 IonicContact OE1-CZ 3.01Å; E330-R334 IonicContact OE1-NE 3.42Å; E330-R334 PolarHBondContact OE1-NE 3.03Å; E330-R334 IonicContact OE1-NH2 2.9Å; E330-R334 PolarHBondContact OE1-NH2 3.21Å; L331-R334 PolarHBondContact O-N 3.39Å; I332-R334 VanDerWaalsContact C-N 3.32Å; I332-R334 PolarHBondContact O-N 3.03Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 2.91Å; R334-Q337 PolarHBondContact O-N 3.08Å; R334-R338 WeakPolarHBondContact O-CG 3.49Å; R334-R338 PolarHBondContact O-N 2.8Å; R334-R338 VanDerWaalsContact O-N 3.14Å
335	L	94.9	Very high	92.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-40.3	175.4	-69.4	173.7	0	0	0	111.6	F274 V299 L331 I332 R338 G339 C340 E343 L346	F274-L335 HydrophobicContact CE1-CD2 3.8Å; F274-L335 HydrophobicContact CZ-CD2 3.95Å; F274-L335 HydrophobicContact CZ-CG 4.34Å; V299-L335 HydrophobicContact CG1-CD1 3.92Å; V299-L335 HydrophobicContact CG1-CD2 3.74Å; V299-L335 HydrophobicContact CG2-CD2 4.03Å; L331-L335 HydrophobicContact CD1-CD1 4.13Å; L331-L335 HydrophobicContact CD1-CG 4.1Å; L331-L335 HydrophobicContact CG-CD1 3.94Å; L331-L335 HydrophobicContact CG-CG 4.36Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.41Å; L331-L335 PolarHBondContact O-N 3.03Å; I332-L335 PolarHBondContact O-N 3.42Å; L335-R338 CarbonylContact O-C 3.48Å; L335-R338 PolarHBondContact O-N 3.19Å; L335-R338 VanDerWaalsContact O-N 3.14Å; L335-G339 PolarHBondContact O-N 3.29Å; L335-C340 HydrophobicContact CB-CB 4.18Å; L335-C340 HydrophobicContact CD2-CB 3.75Å; L335-C340 PolarHBondContact O-N 2.99Å; L335-E343 HydrophobicContact CB-CB 3.93Å; L335-E343 HydrophobicContact CD1-CB 4.26Å; L335-L346 HydrophobicContact CD1-CD1 3.84Å
336	R	93.9	Very high	92.4	Very high	89 Å²	89	47.8 Å²	47.8	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-47.4	172.8	-81.8	-179	176.2	-178.7	2.7	112.6	I332 R334 R338 G339 E343 L376	I332-R336 HydrophobicContact CG2-CG 4.34Å; I332-R336 WeakPolarHBondContact O-CB 3.49Å; I332-R336 WeakPolarHBondContact O-CG 3.47Å; I332-R336 PolarHBondContact O-N 3.21Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 2.91Å; R336-R338 PolarHBondContact O-N 3.03Å; R336-G339 PolarHBondContact O-N 3.35Å; R336-G339 VanDerWaalsContact O-N 3.09Å; R336-E343 VanDerWaalsContact CA-OE2 3.3Å; R336-E343 WeakPolarHBondContact CA-OE2 3.4Å; R336-E343 VanDerWaalsContact CG-OE1 3.3Å; R336-E343 WeakPolarHBondContact CG-OE1 3.22Å; R336-E343 WeakPolarHBondContact CG-OE2 3.34Å; R336-E343 IonicContact CZ-OE1 3.44Å; R336-E343 PolarHBondContact N-OE2 3.26Å; R336-E343 IonicContact NE-OE1 2.76Å; R336-E343 PolarHBondContact NE-OE1 2.83Å; R336-E343 IonicContact NE-OE2 3.6Å; R336-E343 IonicContact NH2-OE1 3.7Å; R336-L376 PolarHBondContact NH1-O 3.05Å
337	Q	93.4	Very high	92.1	Very high	140 Å²	140	48.7 Å²	48.7	65%	0.654	25%	0.254	S	S	*	.	H	α-helix	trans	-60	-31.2	177.6	-76.6	-179.2	-24.2	0	0	112.3	H333 R334	H333-Q337 PolarHBondContact CE1-NE2 2.76Å; H333-Q337 PolarHBondContact NE2-NE2 3.32Å; H333-Q337 WeakPolarHBondContact O-CG 3.33Å; H333-Q337 PolarHBondContact O-N 3.47Å; H333-Q337 VanDerWaalsContact O-N 3.17Å; R334-Q337 PolarHBondContact O-N 3.08Å
338	R	92.6	Very high	91.9	Very high	91 Å²	91	51.8 Å²	51.8	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-87.9	-8.7	177.9	-66.9	-175.5	61.1	140.6	9.2	114.2	F274 D278 R334 L335 R336 C340	F274-R338 VanDerWaalsContact CA-NH1 3.33Å; F274-R338 VanDerWaalsContact CG-NH1 3.33Å; F274-R338 PolarHBondContact O-NH1 2.98Å; F274-R338 VanDerWaalsContact O-NH1 3.13Å; D278-R338 IonicContact OD1-CZ 3.96Å; D278-R338 IonicContact OD1-NH1 3.37Å; D278-R338 PolarHBondContact OD1-NH1 3.12Å; D278-R338 IonicContact OD1-NH2 3.68Å; D278-R338 PolarHBondContact OD1-NH2 3.3Å; D278-R338 IonicContact OD2-NH1 3.02Å; R334-R338 WeakPolarHBondContact O-CG 3.49Å; R334-R338 PolarHBondContact O-N 2.8Å; R334-R338 VanDerWaalsContact O-N 3.14Å; L335-R338 CarbonylContact O-C 3.48Å; L335-R338 PolarHBondContact O-N 3.19Å; L335-R338 VanDerWaalsContact O-N 3.14Å; R336-R338 PolarHBondContact O-N 3.03Å; R338-C340 VanDerWaalsContact C-N 3.33Å
339	G	90.4	Very high	91.8	Very high	64 Å²	64	51.9 Å²	51.9	66%	0.66	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	25.5	-175.4	0	0	0	0	0	114.1	L335 R336	L335-G339 PolarHBondContact O-N 3.29Å; R336-G339 PolarHBondContact O-N 3.35Å; R336-G339 VanDerWaalsContact O-N 3.09Å
340	C	87.6	Confident	91.8	Very high	21 Å²	21	51.9 Å²	51.9	14%	0.142	27%	0.271	C	S	.	.			trans	-81.8	123.1	-179.3	-66.5	0	0	0	0	111	L335 R338 D342 E343	L335-C340 HydrophobicContact CB-CB 4.18Å; L335-C340 HydrophobicContact CD2-CB 3.75Å; L335-C340 PolarHBondContact O-N 2.99Å; R338-C340 VanDerWaalsContact C-N 3.33Å; C340-D342 PolarHBondContact O-N 2.9Å; C340-E343 PolarHBondContact O-N 3.3Å
341	P	84.9	Confident	91.7	Very high	89 Å²	89	55 Å²	55	58%	0.578	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.5	-19.3	-176.1	29.9	-35.7	0	0	0	113.8	E343 K344	P341-E343 PolarHBondContact O-N 3.22Å; P341-E343 VanDerWaalsContact O-N 3.08Å; P341-K344 WeakPolarHBondContact O-CG 3.46Å; P341-K344 PolarHBondContact O-N 3.49Å
342	D	84.2	Confident	91.7	Very high	58 Å²	58	56 Å²	56	31%	0.31	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62.5	-13	-179.4	-51.4	-34.3	0	0	0	112.7	V299 C340 K344 E345	V299-D342 HydrophobicContact CB-CB 4.44Å; V299-D342 HydrophobicContact CG1-CB 3.67Å; C340-D342 PolarHBondContact O-N 2.9Å; D342-K344 PolarHBondContact O-N 3.07Å; D342-K344 VanDerWaalsContact O-N 3.08Å; D342-E345 WeakPolarHBondContact O-CB 3.47Å; D342-E345 PolarHBondContact O-N 3.05Å
343	E	85.1	Confident	91.8	Very high	37 Å²	37	56 Å²	56	17%	0.173	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.6	-29.2	171.3	73.3	178.1	-123.3	0	0	112.7	L335 R336 C340 P341 E345 L346	L335-E343 HydrophobicContact CB-CB 3.93Å; L335-E343 HydrophobicContact CD1-CB 4.26Å; R336-E343 VanDerWaalsContact CA-OE2 3.3Å; R336-E343 WeakPolarHBondContact CA-OE2 3.4Å; R336-E343 VanDerWaalsContact CG-OE1 3.3Å; R336-E343 WeakPolarHBondContact CG-OE1 3.22Å; R336-E343 WeakPolarHBondContact CG-OE2 3.34Å; R336-E343 IonicContact CZ-OE1 3.44Å; R336-E343 PolarHBondContact N-OE2 3.26Å; R336-E343 IonicContact NE-OE1 2.76Å; R336-E343 PolarHBondContact NE-OE1 2.83Å; R336-E343 IonicContact NE-OE2 3.6Å; R336-E343 IonicContact NH2-OE1 3.7Å; C340-E343 PolarHBondContact O-N 3.3Å; P341-E343 PolarHBondContact O-N 3.22Å; P341-E343 VanDerWaalsContact O-N 3.08Å; E343-E345 PolarHBondContact O-N 2.93Å; E343-L346 PolarHBondContact O-N 2.76Å
344	K	84	Confident	91.9	Very high	168 Å²	168	54.6 Å²	54.6	73%	0.73	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.4	-178.5	-65.6	178.4	-177.1	177.1	0	112.3	P341 D342 L346 G347	P341-K344 WeakPolarHBondContact O-CG 3.46Å; P341-K344 PolarHBondContact O-N 3.49Å; D342-K344 PolarHBondContact O-N 3.07Å; D342-K344 VanDerWaalsContact O-N 3.08Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-G347 PolarHBondContact O-N 3.31Å
345	E	87.6	Confident	91.9	Very high	127 Å²	127	56.5 Å²	56.5	59%	0.593	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-73.7	-23.1	178.2	-58.3	-170.6	171.1	0	0	112.3	V303 D342 E343 G347	V303-E345 HydrophobicContact CG1-CB 4.15Å; D342-E345 WeakPolarHBondContact O-CB 3.47Å; D342-E345 PolarHBondContact O-N 3.05Å; E343-E345 PolarHBondContact O-N 2.93Å; E345-G347 VanDerWaalsContact C-N 3.31Å
346	L	89.4	Confident	92	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.058	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-79	-15.8	177.2	-69.7	160	0	0	0	113	V303 V307 L331 I332 L335 E343 K344	V303-L346 HydrophobicContact CB-CD2 4.25Å; V303-L346 HydrophobicContact CG1-CD2 3.89Å; V303-L346 HydrophobicContact CG1-CG 4.14Å; V303-L346 HydrophobicContact CG2-CD1 4.13Å; V303-L346 HydrophobicContact CG2-CD2 4.11Å; V303-L346 HydrophobicContact CG2-CG 3.95Å; V307-L346 HydrophobicContact CG2-CD2 4.28Å; L331-L346 HydrophobicContact CB-CD1 4.07Å; L331-L346 HydrophobicContact CD2-CD1 3.73Å; L331-L346 HydrophobicContact CD2-CD2 4.09Å; L331-L346 HydrophobicContact CG-CD1 3.68Å; I332-L346 HydrophobicContact CD1-CB 3.82Å; I332-L346 HydrophobicContact CG1-CB 3.68Å; I332-L346 HydrophobicContact CG1-CD1 3.62Å; I332-L346 HydrophobicContact CG1-CG 4.28Å; L335-L346 HydrophobicContact CD1-CD1 3.84Å; E343-L346 PolarHBondContact O-N 2.76Å; K344-L346 VanDerWaalsContact C-N 3.3Å
347	G	90.4	Very high	92.2	Very high	33 Å²	33	52.3 Å²	52.3	34%	0.34	28%	0.28	S	S	.	.			trans	102.5	177.8	-178.9	0	0	0	0	0	114.1	K344 E345	K344-G347 PolarHBondContact O-N 3.31Å; E345-G347 VanDerWaalsContact C-N 3.31Å
348	D	93.3	Very high	92.4	Very high	64 Å²	64	47 Å²	47	34%	0.342	26%	0.263	S	S	.	.			trans	-80	127.3	-179.5	178.7	45.7	0	0	0	111	L350 E351 L352	D348-L350 PolarHBondContact O-N 3.09Å; D348-L350 VanDerWaalsContact O-N 3.16Å; D348-L350 WeakPolarHBondContact OD2-CB 3.44Å; D348-E351 HydrophobicContact CB-CB 4.38Å; D348-E351 HydrophobicContact CB-CG 4.03Å; D348-E351 WeakPolarHBondContact O-CB 3.37Å; D348-E351 PolarHBondContact O-N 2.85Å; D348-L352 WeakPolarHBondContact O-CG 3.44Å; D348-L352 PolarHBondContact O-N 2.86Å
349	P	95.6	Very high	92.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-55.5	-34.3	-179.2	-31.3	38.7	0	0	0	114.3	I332 L352 M353 L376	I332-P349 HydrophobicContact CD1-CG 4.28Å; I332-P349 HydrophobicContact CG2-CG 4Å; P349-L352 PolarHBondContact O-N 2.74Å; P349-M353 WeakPolarHBondContact O-CB 3.28Å; P349-M353 WeakPolarHBondContact O-CG 3.38Å; P349-M353 PolarHBondContact O-N 2.96Å; P349-L376 HydrophobicContact CB-CB 3.98Å; P349-L376 HydrophobicContact CB-CD1 4.45Å; P349-L376 HydrophobicContact CG-CB 4.33Å
350	L	96.4	Very high	92.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-47.7	176.7	-177.7	153	0	0	0	110.6	D348 L352 M353 V354 L377 Q381 F385	D348-L350 PolarHBondContact O-N 3.09Å; D348-L350 VanDerWaalsContact O-N 3.16Å; D348-L350 WeakPolarHBondContact OD2-CB 3.44Å; L350-L352 PolarHBondContact O-N 2.89Å; L350-M353 PolarHBondContact O-N 3.47Å; L350-V354 HydrophobicContact CD2-CG2 4.21Å; L350-V354 WeakPolarHBondContact O-CB 3.38Å; L350-V354 VanDerWaalsContact O-CG2 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.33Å; L350-V354 PolarHBondContact O-N 3.32Å; L350-L377 HydrophobicContact CB-CD2 3.78Å; L350-L377 HydrophobicContact CG-CD2 4.41Å; L350-Q381 HydrophobicContact CD1-CB 3.83Å; L350-Q381 HydrophobicContact CD1-CG 4.28Å; L350-F385 HydrophobicContact CD1-CB 4.11Å; L350-F385 HydrophobicContact CG-CB 4.41Å; L350-F385 HydrophobicContact CG-CD2 4.16Å
351	E	96.3	Very high	93.3	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-44.8	175.7	-63	-58.4	150.4	0	0	112.1	D348 M353 V354 Q355 R388	D348-E351 HydrophobicContact CB-CB 4.38Å; D348-E351 HydrophobicContact CB-CG 4.03Å; D348-E351 WeakPolarHBondContact O-CB 3.37Å; D348-E351 PolarHBondContact O-N 2.85Å; E351-M353 PolarHBondContact O-N 3.05Å; E351-V354 PolarHBondContact O-N 3.05Å; E351-Q355 WeakPolarHBondContact O-CB 3.2Å; E351-Q355 PolarHBondContact O-N 2.87Å; E351-R388 IonicContact OE1-CZ 3.67Å; E351-R388 IonicContact OE1-NH1 3.36Å; E351-R388 PolarHBondContact OE1-NH1 3.19Å; E351-R388 IonicContact OE1-NH2 3.63Å; E351-R388 IonicContact OE2-CZ 2.8Å; E351-R388 VanDerWaalsContact OE2-CZ 3.27Å; E351-R388 IonicContact OE2-NH1 3.05Å; E351-R388 PolarHBondContact OE2-NH1 3.05Å; E351-R388 IonicContact OE2-NH2 3.63Å; E351-R388 PolarHBondContact OE2-NH2 2.93Å
352	L	96.9	Very high	93.8	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-41.6	-179.6	-68.1	170	0	0	0	112	M310 L329 I332 D348 P349 L350 Q355 F356	M310-L352 HydrophobicContact CE-CD2 4.33Å; L329-L352 HydrophobicContact CD2-CB 3.88Å; L329-L352 HydrophobicContact CD2-CD1 4.24Å; I332-L352 HydrophobicContact CD1-CD1 3.32Å; D348-L352 WeakPolarHBondContact O-CG 3.44Å; D348-L352 PolarHBondContact O-N 2.86Å; P349-L352 PolarHBondContact O-N 2.74Å; L350-L352 PolarHBondContact O-N 2.89Å; L352-Q355 PolarHBondContact O-N 2.72Å; L352-F356 WeakPolarHBondContact O-CB 3.3Å; L352-F356 PolarHBondContact O-N 3.24Å
353	M	98.4	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-38.4	175.6	-71.2	-179.8	171	0	0	112.3	L329 P349 L350 E351 F356 F357 L370 Y373 L376 L377 F385	L329-M353 HydrophobicContact CD1-CG 4.14Å; L329-M353 HydrophobicContact CD2-CE 4.49Å; L329-M353 HydrophobicContact CD2-CG 4.14Å; P349-M353 WeakPolarHBondContact O-CB 3.28Å; P349-M353 WeakPolarHBondContact O-CG 3.38Å; P349-M353 PolarHBondContact O-N 2.96Å; L350-M353 PolarHBondContact O-N 3.47Å; E351-M353 PolarHBondContact O-N 3.05Å; M353-F356 PolarHBondContact O-N 2.85Å; M353-F357 WeakPolarHBondContact O-CB 3.41Å; M353-F357 PolarHBondContact O-N 2.68Å; M353-L370 HydrophobicContact CB-CD2 4.12Å; M353-L370 HydrophobicContact CG-CD2 3.91Å; M353-Y373 WeakPolarHBondContact CE-O 3.28Å; M353-L376 HydrophobicContact CE-CB 4.46Å; M353-L377 HydrophobicContact CE-CG 4.48Å; M353-L377 HydrophobicContact SD-CD1 3.73Å; M353-L377 HydrophobicContact SD-CD2 3.93Å; M353-L377 HydrophobicContact SD-CG 3.79Å; M353-F385 HydrophobicContact CB-CE2 3.52Å; M353-F385 HydrophobicContact CB-CZ 3.74Å; M353-F385 HydrophobicContact SD-CE2 4.48Å; M353-F385 HydrophobicContact SD-CZ 4.21Å
354	V	98.1	Very high	94.9	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-43.2	174.1	171.8	0	0	0	0	110.3	L350 E351 F357 G358 F385 R388 L389 L392	L350-V354 HydrophobicContact CD2-CG2 4.21Å; L350-V354 WeakPolarHBondContact O-CB 3.38Å; L350-V354 VanDerWaalsContact O-CG2 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.33Å; L350-V354 PolarHBondContact O-N 3.32Å; E351-V354 PolarHBondContact O-N 3.05Å; V354-F357 PolarHBondContact O-N 3.19Å; V354-G358 PolarHBondContact O-N 2.92Å; V354-F385 HydrophobicContact CG2-CD2 3.77Å; V354-F385 HydrophobicContact CG2-CE2 3.82Å; V354-R388 HydrophobicContact CG2-CB 4.15Å; V354-L389 HydrophobicContact CB-CD2 4.47Å; V354-L389 HydrophobicContact CG2-CD2 4.03Å; V354-L392 HydrophobicContact CG1-CD1 3.62Å
355	Q	96.4	Very high	95.5	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-44.3	175	-174.7	-171.1	8.4	0	0	111.5	E351 L352 G358 K359	E351-Q355 WeakPolarHBondContact O-CB 3.2Å; E351-Q355 PolarHBondContact O-N 2.87Å; L352-Q355 PolarHBondContact O-N 2.72Å; Q355-G358 WeakPolarHBondContact O-CA 3.12Å; Q355-G358 PolarHBondContact O-N 3.29Å; Q355-K359 PolarHBondContact O-N 2.91Å; Q355-K359 VanDerWaalsContact O-N 3.13Å
356	F	97.6	Very high	96	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-49.1	176.1	-175.5	-88.3	0	0	0	110.9	R322 Y325 L326 L352 M353 G358 K359 F360 D369 L370	R322-F356 HydrophobicContact CB-CE2 4.34Å; Y325-F356 HydrophobicContact CG-CD2 4.38Å; L326-F356 HydrophobicContact CD2-CD2 4.25Å; L326-F356 HydrophobicContact CD2-CE2 3.63Å; L326-F356 HydrophobicContact CD2-CZ 3.8Å; L326-F356 HydrophobicContact CG-CE2 3.87Å; L326-F356 HydrophobicContact CG-CZ 4.25Å; L352-F356 WeakPolarHBondContact O-CB 3.3Å; L352-F356 PolarHBondContact O-N 3.24Å; M353-F356 PolarHBondContact O-N 2.85Å; F356-G358 VanDerWaalsContact C-N 3.29Å; F356-G358 PolarHBondContact O-N 2.91Å; F356-K359 PolarHBondContact O-N 3.13Å; F356-F360 HydrophobicContact CD1-CB 4.34Å; F356-F360 HydrophobicContact CD1-CD2 4.16Å; F356-F360 AromaticContact CD2-CD2 3.55Å; F356-F360 HydrophobicContact CD2-CD2 3.55Å; F356-F360 AromaticContact CD2-CE2 3.88Å; F356-F360 HydrophobicContact CD2-CE2 3.88Å; F356-F360 HydrophobicContact CE1-CB 3.95Å; F356-F360 HydrophobicContact CE1-CD2 4.07Å; F356-F360 HydrophobicContact CE1-CG 4.34Å; F356-F360 AromaticContact CE2-CD2 3.45Å; F356-F360 HydrophobicContact CE2-CD2 3.45Å; F356-F360 VanDerWaalsContact CE2-CD2 3.45Å; F356-F360 AromaticContact CE2-CE2 3.78Å; F356-F360 HydrophobicContact CE2-CE2 3.78Å; F356-F360 HydrophobicContact CE2-CG 4.24Å; F356-F360 AromaticContact CG-CD2 3.92Å; F356-F360 HydrophobicContact CG-CD2 3.92Å; F356-F360 HydrophobicContact CZ-CB 4.15Å; F356-F360 AromaticContact CZ-CD2 3.73Å; F356-F360 HydrophobicContact CZ-CD2 3.73Å; F356-F360 HydrophobicContact CZ-CE2 4.44Å; F356-F360 HydrophobicContact CZ-CG 4.08Å; F356-F360 WeakPolarHBondContact O-CD2 3.2Å; F356-F360 PolarHBondContact O-N 2.91Å; F356-D369 HydrophobicContact CE1-CB 3.98Å; F356-D369 HydrophobicContact CZ-CB 3.84Å; F356-L370 HydrophobicContact CB-CD2 4.27Å; F356-L370 HydrophobicContact CD1-CD1 4.05Å; F356-L370 HydrophobicContact CD1-CD2 3.6Å; F356-L370 HydrophobicContact CD1-CG 3.73Å; F356-L370 HydrophobicContact CE1-CD2 4.23Å; F356-L370 HydrophobicContact CE1-CG 4.06Å; F356-L370 HydrophobicContact CG-CD2 4.08Å
357	F	98.3	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-39.7	174.7	178.5	-92.6	0	0	0	112.1	M353 V354 K359 F360 G361 L370 L389 L392 V393 R414 C417 V418	M353-F357 WeakPolarHBondContact O-CB 3.41Å; M353-F357 PolarHBondContact O-N 2.68Å; V354-F357 PolarHBondContact O-N 3.19Å; F357-K359 PolarHBondContact O-N 3.08Å; F357-F360 PolarHBondContact O-N 2.61Å; F357-G361 VanDerWaalsContact O-CA 3.25Å; F357-G361 WeakPolarHBondContact O-CA 3.42Å; F357-G361 PolarHBondContact O-N 3.06Å; F357-L370 HydrophobicContact CB-CD1 4.46Å; F357-L389 HydrophobicContact CB-CD2 3.64Å; F357-L389 HydrophobicContact CD1-CB 4.4Å; F357-L389 HydrophobicContact CD1-CD2 3.73Å; F357-L389 HydrophobicContact CD2-CD1 4.4Å; F357-L389 HydrophobicContact CD2-CD2 4.26Å; F357-L389 HydrophobicContact CE1-CB 4.29Å; F357-L389 HydrophobicContact CE1-CD2 4.44Å; F357-L389 HydrophobicContact CG-CD2 3.62Å; F357-L392 HydrophobicContact CD1-CB 4.31Å; F357-L392 HydrophobicContact CD1-CD1 4.16Å; F357-L392 HydrophobicContact CE1-CB 4.11Å; F357-V393 HydrophobicContact CE1-CG2 4.4Å; F357-V393 HydrophobicContact CZ-CG2 4.21Å; F357-R414 HydrophobicContact CZ-CB 3.89Å; F357-R414 HydrophobicContact CZ-CG 4.23Å; F357-R414 WeakPolarHBondContact CZ-O 3.25Å; F357-R414 PolarHBondContact O-NH1 3.2Å; F357-R414 VanDerWaalsContact O-NH1 3.1Å; F357-C417 HydrophobicContact CE2-CB 3.93Å; F357-V418 HydrophobicContact CE1-CG2 4.32Å; F357-V418 HydrophobicContact CE2-CG2 3.88Å; F357-V418 HydrophobicContact CZ-CG2 3.5Å
358	G	96.4	Very high	96.5	Very high	29 Å²	29	32.7 Å²	32.7	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-51.9	-42.1	172.6	0	0	0	0	0	112.5	V354 Q355 F356 R414	V354-G358 PolarHBondContact O-N 2.92Å; Q355-G358 WeakPolarHBondContact O-CA 3.12Å; Q355-G358 PolarHBondContact O-N 3.29Å; F356-G358 VanDerWaalsContact C-N 3.29Å; F356-G358 PolarHBondContact O-N 2.91Å; G358-R414 PolarHBondContact O-NH1 3.01Å; G358-R414 PolarHBondContact O-NH2 3.49Å
359	K	95.3	Very high	96.7	Very high	57 Å²	57	30.8 Å²	30.8	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-87.2	-34.8	-177.4	-65.3	173.3	-169.6	-78.2	0	114.4	D314 R319 P320 Y325 Q355 F356 F357	D314-K359 WeakPolarHBondContact OD1-CE 3.47Å; D314-K359 IonicContact OD1-NZ 3.23Å; D314-K359 PolarHBondContact OD1-NZ 2.77Å; D314-K359 IonicContact OD2-NZ 2.91Å; R319-K359 PolarHBondContact NH2-O 3.37Å; P320-K359 HydrophobicContact CG-CD 4.3Å; Y325-K359 HydrophobicContact CD1-CD 4.28Å; Y325-K359 HydrophobicContact CE1-CD 3.55Å; Y325-K359 HydrophobicContact CE2-CD 4.4Å; Q355-K359 PolarHBondContact O-N 2.91Å; Q355-K359 VanDerWaalsContact O-N 3.13Å; F356-K359 PolarHBondContact O-N 3.13Å; F357-K359 PolarHBondContact O-N 3.08Å
360	F	96.9	Very high	96.8	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-120	-4.5	-168.4	-57.5	-73.6	0	0	0	114.4	P320 R322 Y325 F356 F357 D362 K363 C366	P320-F360 HydrophobicContact CB-CZ 4.38Å; P320-F360 HydrophobicContact CG-CE1 4.47Å; P320-F360 HydrophobicContact CG-CZ 4.08Å; P320-F360 VanDerWaalsContact O-CE1 3.31Å; P320-F360 WeakPolarHBondContact O-CE1 3.17Å; R322-F360 HydrophobicContact CB-CE1 4.15Å; R322-F360 HydrophobicContact CB-CZ 4.13Å; Y325-F360 AromaticContact CD2-CE2 3.75Å; Y325-F360 HydrophobicContact CD2-CE2 3.75Å; Y325-F360 HydrophobicContact CD2-CZ 4.01Å; Y325-F360 HydrophobicContact CE2-CE2 4.04Å; Y325-F360 HydrophobicContact CE2-CZ 4.03Å; Y325-F360 HydrophobicContact CG-CE2 4.19Å; F356-F360 HydrophobicContact CD1-CB 4.34Å; F356-F360 HydrophobicContact CD1-CD2 4.16Å; F356-F360 AromaticContact CD2-CD2 3.55Å; F356-F360 HydrophobicContact CD2-CD2 3.55Å; F356-F360 AromaticContact CD2-CE2 3.88Å; F356-F360 HydrophobicContact CD2-CE2 3.88Å; F356-F360 HydrophobicContact CE1-CB 3.95Å; F356-F360 HydrophobicContact CE1-CD2 4.07Å; F356-F360 HydrophobicContact CE1-CG 4.34Å; F356-F360 AromaticContact CE2-CD2 3.45Å; F356-F360 HydrophobicContact CE2-CD2 3.45Å; F356-F360 VanDerWaalsContact CE2-CD2 3.45Å; F356-F360 AromaticContact CE2-CE2 3.78Å; F356-F360 HydrophobicContact CE2-CE2 3.78Å; F356-F360 HydrophobicContact CE2-CG 4.24Å; F356-F360 AromaticContact CG-CD2 3.92Å; F356-F360 HydrophobicContact CG-CD2 3.92Å; F356-F360 HydrophobicContact CZ-CB 4.15Å; F356-F360 AromaticContact CZ-CD2 3.73Å; F356-F360 HydrophobicContact CZ-CD2 3.73Å; F356-F360 HydrophobicContact CZ-CE2 4.44Å; F356-F360 HydrophobicContact CZ-CG 4.08Å; F356-F360 WeakPolarHBondContact O-CD2 3.2Å; F356-F360 PolarHBondContact O-N 2.91Å; F357-F360 PolarHBondContact O-N 2.61Å; F360-D362 PolarHBondContact O-N 3.48Å; F360-D362 VanDerWaalsContact O-N 3.11Å; F360-K363 VanDerWaalsContact O-CB 3.31Å; F360-K363 WeakPolarHBondContact O-CB 3.33Å; F360-K363 PolarHBondContact O-N 2.85Å; F360-C366 WeakPolarHBondContact O-CB 3.5Å
361	G	97.1	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	-175.5	0	0	0	0	0	115.1	F357 K363 Q413 R414	F357-G361 VanDerWaalsContact O-CA 3.25Å; F357-G361 WeakPolarHBondContact O-CA 3.42Å; F357-G361 PolarHBondContact O-N 3.06Å; G361-K363 PolarHBondContact O-N 3.42Å; G361-Q413 CarbonylContact O-C 3.58Å; G361-R414 WeakPolarHBondContact O-CA 3.4Å; G361-R414 WeakPolarHBondContact O-CG 3.36Å; G361-R414 PolarHBondContact O-N 2.99Å
362	D	96.4	Very high	96.7	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	8.7	171.9	63.2	-62.7	0	0	0	113.4	R319 F360 K410 Q413 R414	R319-D362 IonicContact CZ-OD1 3.32Å; R319-D362 IonicContact CZ-OD2 2.68Å; R319-D362 IonicContact NH1-OD1 2.62Å; R319-D362 IonicContact NH1-OD2 4Å; R319-D362 PolarHBondContact NH1-OD2 2.72Å; R319-D362 VanDerWaalsContact NH2-CG 3.31Å; R319-D362 IonicContact NH2-OD1 3.9Å; R319-D362 PolarHBondContact NH2-OD1 3.16Å; R319-D362 IonicContact NH2-OD2 3.61Å; R319-D362 PolarHBondContact NH2-OD2 2.91Å; F360-D362 PolarHBondContact O-N 3.48Å; F360-D362 VanDerWaalsContact O-N 3.11Å; D362-K410 HydrophobicContact CB-CB 3.77Å; D362-K410 HydrophobicContact CB-CG 4.02Å; D362-Q413 VanDerWaalsContact C-CG 3.47Å; D362-Q413 WeakPolarHBondContact O-CG 3.39Å; D362-R414 HydrophobicContact CB-CG 4.33Å; D362-R414 IonicContact OD1-NH2 2.71Å; D362-R414 PolarHBondContact OD1-NH2 3.19Å
363	K	96.6	Very high	96.6	Very high	89 Å²	89	32.8 Å²	32.8	39%	0.387	18%	0.18	S	C	.	.	S	Bend	trans	-114.4	137.6	177.4	-61.1	-65.2	174.9	-174.5	0	111.5	F360 G361 C365 C366	F360-K363 VanDerWaalsContact O-CB 3.31Å; F360-K363 WeakPolarHBondContact O-CB 3.33Å; F360-K363 PolarHBondContact O-N 2.85Å; G361-K363 PolarHBondContact O-N 3.42Å; K363-C365 PolarHBondContact O-N 2.96Å; K363-C365 VanDerWaalsContact O-N 3.12Å; K363-C366 WeakPolarHBondContact O-CB 3.32Å; K363-C366 PolarHBondContact O-N 2.68Å; K363-C366 VanDerWaalsContact O-N 3.07Å
364	P	95.7	Very high	96.5	Very high	89 Å²	89	33.5 Å²	33.5	58%	0.578	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.9	177.3	-26.8	34.2	0	0	0	114.9	C366 I367	P364-C366 VanDerWaalsContact C-N 3.28Å; P364-C366 PolarHBondContact O-N 3.43Å; P364-I367 WeakPolarHBondContact O-CG2 3.06Å
365	C	95.9	Very high	96.3	Very high	40 Å²	40	37.8 Å²	37.8	27%	0.27	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.7	179.4	68.8	0	0	0	0	114.1	K363 I367 T368 D369	K363-C365 PolarHBondContact O-N 2.96Å; K363-C365 VanDerWaalsContact O-N 3.12Å; C365-I367 PolarHBondContact O-N 3.34Å; C365-T368 PolarHBondContact O-N 3.11Å; C365-T368 VanDerWaalsContact O-N 3.1Å; C365-T368 PolarHBondContact O-OG1 3.05Å; C365-D369 WeakPolarHBondContact O-CB 3.4Å; C365-D369 PolarHBondContact O-N 3.28Å; C365-D369 PolarHBondContact SG-OD2 2.86Å
366	C	97.7	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-36.1	-176	-174.4	0	0	0	0	112.5	F360 K363 P364 L370	F360-C366 WeakPolarHBondContact O-CB 3.5Å; K363-C366 WeakPolarHBondContact O-CB 3.32Å; K363-C366 PolarHBondContact O-N 2.68Å; K363-C366 VanDerWaalsContact O-N 3.07Å; P364-C366 VanDerWaalsContact C-N 3.28Å; P364-C366 PolarHBondContact O-N 3.43Å; C366-L370 WeakPolarHBondContact O-CB 3.44Å; C366-L370 WeakPolarHBondContact O-CG 3.48Å; C366-L370 PolarHBondContact O-N 3.07Å; C366-L370 VanDerWaalsContact O-N 3.1Å
367	I	96.1	Very high	96.1	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-47.7	175.3	174.5	61.8	0	0	0	111.4	P364 C365 D369 L370 K371 Q420 L421	P364-I367 WeakPolarHBondContact O-CG2 3.06Å; C365-I367 PolarHBondContact O-N 3.34Å; I367-D369 VanDerWaalsContact C-N 3.27Å; I367-D369 PolarHBondContact O-N 3.36Å; I367-L370 PolarHBondContact O-N 2.93Å; I367-K371 WeakPolarHBondContact O-CB 3.31Å; I367-K371 PolarHBondContact O-N 3.15Å; I367-Q420 HydrophobicContact CB-CB 4.42Å; I367-Q420 HydrophobicContact CD1-CB 3.86Å; I367-Q420 HydrophobicContact CG1-CB 3.89Å; I367-L421 HydrophobicContact CD1-CB 4.46Å; I367-L421 HydrophobicContact CD1-CD2 3.49Å; I367-L421 VanDerWaalsContact CD1-CD2 3.49Å; I367-L421 HydrophobicContact CD1-CG 3.73Å
368	T	95.5	Very high	95.7	Very high	87 Å²	87	37.3 Å²	37.3	53%	0.534	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-35.4	-177.8	51.4	0	0	0	0	111.6	C365	C365-T368 PolarHBondContact O-N 3.11Å; C365-T368 VanDerWaalsContact O-N 3.1Å; C365-T368 PolarHBondContact O-OG1 3.05Å
369	D	97.2	Very high	95.4	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-72.4	-37.7	179.9	-63	-13.5	0	0	0	111.9	L326 F356 C365 I367 I372 Y373	L326-D369 HydrophobicContact CD1-CB 4.16Å; L326-D369 HydrophobicContact CD2-CB 4.01Å; F356-D369 HydrophobicContact CE1-CB 3.98Å; F356-D369 HydrophobicContact CZ-CB 3.84Å; C365-D369 WeakPolarHBondContact O-CB 3.4Å; C365-D369 PolarHBondContact O-N 3.28Å; C365-D369 PolarHBondContact SG-OD2 2.86Å; I367-D369 VanDerWaalsContact C-N 3.27Å; I367-D369 PolarHBondContact O-N 3.36Å; D369-I372 VanDerWaalsContact O-CG1 3.3Å; D369-I372 WeakPolarHBondContact O-CG1 3.41Å; D369-Y373 WeakPolarHBondContact O-CD2 3.5Å
370	L	97.4	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-84.3	-31	179	-72	179.3	0	0	0	113.6	L329 M353 F356 F357 C366 I367 I372 Y373 L374 L421	L329-L370 HydrophobicContact CD1-CD2 4.36Å; M353-L370 HydrophobicContact CB-CD2 4.12Å; M353-L370 HydrophobicContact CG-CD2 3.91Å; F356-L370 HydrophobicContact CB-CD2 4.27Å; F356-L370 HydrophobicContact CD1-CD1 4.05Å; F356-L370 HydrophobicContact CD1-CD2 3.6Å; F356-L370 HydrophobicContact CD1-CG 3.73Å; F356-L370 HydrophobicContact CE1-CD2 4.23Å; F356-L370 HydrophobicContact CE1-CG 4.06Å; F356-L370 HydrophobicContact CG-CD2 4.08Å; F357-L370 HydrophobicContact CB-CD1 4.46Å; C366-L370 WeakPolarHBondContact O-CB 3.44Å; C366-L370 WeakPolarHBondContact O-CG 3.48Å; C366-L370 PolarHBondContact O-N 3.07Å; C366-L370 VanDerWaalsContact O-N 3.1Å; I367-L370 PolarHBondContact O-N 2.93Å; L370-I372 PolarHBondContact O-N 3.46Å; L370-Y373 PolarHBondContact O-N 2.95Å; L370-L374 PolarHBondContact O-N 3.43Å; L370-L421 HydrophobicContact CB-CD2 3.97Å; L370-L421 HydrophobicContact CD1-CD1 3.99Å
371	K	95.2	Very high	95.1	Very high	55 Å²	55	46.2 Å²	46.2	24%	0.239	25%	0.247	C	C	.	.	H	α-helix	trans	-54.6	-39.9	-176.1	-175	178.1	-178.9	-170.5	0	112.1	I367 Y373 L374 S664 E671	I367-K371 WeakPolarHBondContact O-CB 3.31Å; I367-K371 PolarHBondContact O-N 3.15Å; K371-Y373 PolarHBondContact O-N 2.84Å; K371-L374 PolarHBondContact O-N 3.11Å; K371-S664 PolarHBondContact NZ-O 3.23Å; K371-S664 VanDerWaalsContact NZ-O 3.07Å; K371-E671 WeakPolarHBondContact CE-OE1 3.38Å; K371-E671 IonicContact NZ-OE1 2.98Å; K371-E671 PolarHBondContact NZ-OE1 2.9Å
372	I	94.7	Very high	94.9	Very high	98 Å²	98	49.9 Å²	49.9	50%	0.503	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.4	-179.4	58.7	168.5	0	0	0	114	D369 L370 H375	D369-I372 VanDerWaalsContact O-CG1 3.3Å; D369-I372 WeakPolarHBondContact O-CG1 3.41Å; L370-I372 PolarHBondContact O-N 3.46Å; I372-H375 PolarHBondContact O-CE1 3.37Å; I372-H375 PolarHBondContact O-ND1 3.08Å
373	Y	96.4	Very high	94.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.016	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-1	-177.6	-64.3	-61	0	0	0	113.8	W263 L326 L329 E330 M353 D369 L370 K371 H375 L376	W263-Y373 VanDerWaalsContact CH2-OH 3.3Å; W263-Y373 WeakPolarHBondContact CH2-OH 3.46Å; W263-Y373 VanDerWaalsContact CZ2-OH 3.32Å; W263-Y373 WeakPolarHBondContact CZ2-OH 3.32Å; L326-Y373 HydrophobicContact CD2-CD2 4.46Å; L326-Y373 HydrophobicContact CD2-CE2 4.09Å; L329-Y373 HydrophobicContact CB-CD1 4.03Å; L329-Y373 HydrophobicContact CB-CD2 3.9Å; L329-Y373 HydrophobicContact CB-CE1 4.26Å; L329-Y373 HydrophobicContact CB-CE2 4.11Å; L329-Y373 HydrophobicContact CB-CG 3.89Å; L329-Y373 HydrophobicContact CD1-CD2 3.82Å; L329-Y373 HydrophobicContact CD1-CE2 4.48Å; L329-Y373 HydrophobicContact CD1-CG 4.2Å; E330-Y373 HydrophobicContact CB-CE1 4.3Å; E330-Y373 VanDerWaalsContact OE2-CE1 3.25Å; E330-Y373 WeakPolarHBondContact OE2-CE1 3.33Å; E330-Y373 PolarHBondContact OE2-OH 2.95Å; M353-Y373 WeakPolarHBondContact CE-O 3.28Å; D369-Y373 WeakPolarHBondContact O-CD2 3.5Å; L370-Y373 PolarHBondContact O-N 2.95Å; K371-Y373 PolarHBondContact O-N 2.84Å; Y373-H375 PolarHBondContact O-N 3.36Å; Y373-L376 HydrophobicContact CD1-CD1 4.16Å; Y373-L376 VanDerWaalsContact O-CB 3.27Å; Y373-L376 WeakPolarHBondContact O-CB 3.12Å; Y373-L376 WeakPolarHBondContact O-CG 3.39Å; Y373-L376 PolarHBondContact O-N 3.1Å
374	L	95.5	Very high	94.6	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.7	-175.9	-64.7	178.9	0	0	0	113.9	L370 K371 L376 L377 F385 L421 A424 L425	L370-L374 PolarHBondContact O-N 3.43Å; K371-L374 PolarHBondContact O-N 3.11Å; L374-L376 PolarHBondContact O-N 2.92Å; L374-L377 HydrophobicContact CD2-CD1 4.37Å; L374-L377 WeakPolarHBondContact O-CB 3.21Å; L374-L377 PolarHBondContact O-N 3.32Å; L374-L377 VanDerWaalsContact O-N 3.15Å; L374-F385 HydrophobicContact CD2-CE1 4.27Å; L374-L421 HydrophobicContact CD1-CD2 4.3Å; L374-L421 HydrophobicContact CD2-CD2 4.1Å; L374-A424 HydrophobicContact CD1-CB 3.73Å; L374-L425 HydrophobicContact CB-CD2 4.08Å; L374-L425 HydrophobicContact CD1-CD2 4.08Å; L374-L425 HydrophobicContact CD1-CG 4.2Å; L374-L425 HydrophobicContact CD2-CD2 4.09Å; L374-L425 HydrophobicContact CG-CD2 4.3Å
375	H	93.8	Very high	94.7	Very high	99 Å²	99	49.2 Å²	49.2	46%	0.458	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-66.4	-17.1	172.7	64.8	-76.1	0	0	0	113.5	H333 I372 Y373 L377	H333-H375 AromaticContact CE1-NE2 3.26Å; H333-H375 PolarHBondContact CE1-NE2 3.37Å; H333-H375 VanDerWaalsContact CE1-NE2 3.26Å; H333-H375 AromaticContact CG-NE2 3.68Å; H333-H375 AromaticContact ND1-CD2 3.92Å; H333-H375 AromaticContact ND1-NE2 3.03Å; H333-H375 PolarHBondContact ND1-NE2 3.17Å; H333-H375 AromaticContact NE2-NE2 3.99Å; I372-H375 PolarHBondContact O-CE1 3.37Å; I372-H375 PolarHBondContact O-ND1 3.08Å; Y373-H375 PolarHBondContact O-N 3.36Å; H375-L377 PolarHBondContact O-N 3.04Å
376	L	94.8	Very high	94.7	Very high	7 Å²	7	52 Å²	52	4%	0.037	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-71.9	-14.6	173.4	-60.4	-179	0	0	0	112.7	L329 H333 R336 P349 M353 Y373 L374 P378	L329-L376 HydrophobicContact CD2-CD1 4.43Å; H333-L376 HydrophobicContact CB-CD1 4.44Å; H333-L376 HydrophobicContact CB-CD2 4.07Å; R336-L376 PolarHBondContact NH1-O 3.05Å; P349-L376 HydrophobicContact CB-CB 3.98Å; P349-L376 HydrophobicContact CB-CD1 4.45Å; P349-L376 HydrophobicContact CG-CB 4.33Å; M353-L376 HydrophobicContact CE-CB 4.46Å; Y373-L376 HydrophobicContact CD1-CD1 4.16Å; Y373-L376 VanDerWaalsContact O-CB 3.27Å; Y373-L376 WeakPolarHBondContact O-CB 3.12Å; Y373-L376 WeakPolarHBondContact O-CG 3.39Å; Y373-L376 PolarHBondContact O-N 3.1Å; L374-L376 PolarHBondContact O-N 2.92Å; L376-P378 WeakPolarHBondContact O-CD 3.36Å
377	L	94.5	Very high	94.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	-94.6	115.8	176.9	-58	-178.9	0	0	0	110.6	L350 M353 L374 H375 F385	L350-L377 HydrophobicContact CB-CD2 3.78Å; L350-L377 HydrophobicContact CG-CD2 4.41Å; M353-L377 HydrophobicContact CE-CG 4.48Å; M353-L377 HydrophobicContact SD-CD1 3.73Å; M353-L377 HydrophobicContact SD-CD2 3.93Å; M353-L377 HydrophobicContact SD-CG 3.79Å; L374-L377 HydrophobicContact CD2-CD1 4.37Å; L374-L377 WeakPolarHBondContact O-CB 3.21Å; L374-L377 PolarHBondContact O-N 3.32Å; L374-L377 VanDerWaalsContact O-N 3.15Å; H375-L377 PolarHBondContact O-N 3.04Å; L377-F385 HydrophobicContact CD1-CB 4.16Å; L377-F385 HydrophobicContact CD1-CD1 3.55Å; L377-F385 HydrophobicContact CD1-CD2 4.21Å; L377-F385 HydrophobicContact CD1-CE1 3.88Å; L377-F385 HydrophobicContact CD1-CG 3.72Å; L377-F385 HydrophobicContact CD1-CZ 4.34Å
378	P	91	Very high	94.7	Very high	53 Å²	53	61.2 Å²	61.2	34%	0.344	31%	0.305	S	S	.	.			trans	-57.2	150.4	170	-23.1	33.9	0	0	0	112	L376 E380 Q381	L376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-E380 WeakPolarHBondContact CB-OE2 3.32Å; P378-E380 PolarHBondContact O-N 3.41Å; P378-E380 VanDerWaalsContact O-N 3.12Å; P378-Q381 PolarHBondContact O-N 2.83Å
379	P	89.9	Confident	94.8	Very high	81 Å²	81	57.1 Å²	57.1	53%	0.526	28%	0.28	S	S	.	.	H	α-helix	trans	-50.4	-37.7	179.2	-27.9	36	0	0	0	114.2	Q381 R382	P379-Q381 PolarHBondContact O-N 2.93Å; P379-R382 PolarHBondContact O-N 3.1Å
380	E	91.6	Very high	94.6	Very high	150 Å²	150	57.5 Å²	57.5	70%	0.701	29%	0.29	S	S	*	.	H	α-helix	trans	-65.1	-29.3	-178.5	-56.2	73.7	-158.4	0	0	112.2	P378	P378-E380 WeakPolarHBondContact CB-OE2 3.32Å; P378-E380 PolarHBondContact O-N 3.41Å; P378-E380 VanDerWaalsContact O-N 3.12Å
381	Q	93.4	Very high	94.5	Very high	52 Å²	52	63.4 Å²	63.4	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-87.9	-13.9	-177.7	-70.3	-171.1	-5.9	0	0	113.4	L350 P378 P379 S383 Q384 F385	L350-Q381 HydrophobicContact CD1-CB 3.83Å; L350-Q381 HydrophobicContact CD1-CG 4.28Å; P378-Q381 PolarHBondContact O-N 2.83Å; P379-Q381 PolarHBondContact O-N 2.93Å; Q381-S383 PolarHBondContact O-N 2.91Å; Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.95Å; Q381-F385 WeakPolarHBondContact O-CB 3.47Å; Q381-F385 PolarHBondContact O-N 3.15Å
382	R	93.5	Very high	94.5	Very high	78 Å²	78	64.4 Å²	64.4	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-41.7	-173.3	-61.5	-177.1	-179.6	177.1	5.8	113	P379 F385 K386 L425 L427	P379-R382 PolarHBondContact O-N 3.1Å; R382-F385 PolarHBondContact O-N 3.08Å; R382-K386 PolarHBondContact O-N 2.86Å; R382-L425 HydrophobicContact CB-CD1 4.41Å; R382-L425 HydrophobicContact CB-CD2 4.44Å; R382-L425 HydrophobicContact CG-CD2 3.95Å; R382-L425 PolarHBondContact NH1-O 3.08Å; R382-L427 HydrophobicContact CB-CD2 4.45Å
383	S	92.6	Very high	94.5	Very high	80 Å²	80	60.3 Å²	60.3	56%	0.559	31%	0.305	S	S	*	.	H	α-helix	trans	-67.5	-39.7	176.7	-62.6	0	0	0	0	111.8	Q381 K387	Q381-S383 PolarHBondContact O-N 2.91Å; S383-K387 PolarHBondContact O-N 3.35Å; S383-K387 VanDerWaalsContact O-N 3.1Å
384	Q	95.1	Very high	94.3	Very high	102 Å²	102	64 Å²	64	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-44.3	174.6	-178.6	-176.6	2.5	0	0	111	Q381 K387 R388	Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.95Å; Q384-K387 PolarHBondContact O-N 3.36Å; Q384-R388 WeakPolarHBondContact O-CG 3.48Å; Q384-R388 PolarHBondContact O-N 3.29Å
385	F	97.1	Very high	94.2	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-52.4	177.2	-179.9	-118.8	0	0	0	111.3	L350 M353 V354 L374 L377 Q381 R382 K387 R388 L389 L425	L350-F385 HydrophobicContact CD1-CB 4.11Å; L350-F385 HydrophobicContact CG-CB 4.41Å; L350-F385 HydrophobicContact CG-CD2 4.16Å; M353-F385 HydrophobicContact CB-CE2 3.52Å; M353-F385 HydrophobicContact CB-CZ 3.74Å; M353-F385 HydrophobicContact SD-CE2 4.48Å; M353-F385 HydrophobicContact SD-CZ 4.21Å; V354-F385 HydrophobicContact CG2-CD2 3.77Å; V354-F385 HydrophobicContact CG2-CE2 3.82Å; L374-F385 HydrophobicContact CD2-CE1 4.27Å; L377-F385 HydrophobicContact CD1-CB 4.16Å; L377-F385 HydrophobicContact CD1-CD1 3.55Å; L377-F385 HydrophobicContact CD1-CD2 4.21Å; L377-F385 HydrophobicContact CD1-CE1 3.88Å; L377-F385 HydrophobicContact CD1-CG 3.72Å; L377-F385 HydrophobicContact CD1-CZ 4.34Å; Q381-F385 WeakPolarHBondContact O-CB 3.47Å; Q381-F385 PolarHBondContact O-N 3.15Å; R382-F385 PolarHBondContact O-N 3.08Å; F385-K387 VanDerWaalsContact C-N 3.29Å; F385-K387 PolarHBondContact O-N 3.11Å; F385-R388 PolarHBondContact O-N 3.27Å; F385-L389 HydrophobicContact CD1-CD1 4.2Å; F385-L389 HydrophobicContact CD2-CD2 4.34Å; F385-L389 HydrophobicContact CD2-CG 4.27Å; F385-L389 HydrophobicContact CE1-CD1 3.67Å; F385-L389 HydrophobicContact CE1-CG 4.36Å; F385-L389 HydrophobicContact CE2-CD1 4.1Å; F385-L389 HydrophobicContact CE2-CD2 3.76Å; F385-L389 HydrophobicContact CE2-CG 4Å; F385-L389 HydrophobicContact CZ-CD1 3.62Å; F385-L389 HydrophobicContact CZ-CD2 4.04Å; F385-L389 HydrophobicContact CZ-CG 4.06Å; F385-L389 WeakPolarHBondContact O-CG 3.47Å; F385-L389 PolarHBondContact O-N 3.04Å; F385-L425 HydrophobicContact CD1-CD1 3.9Å; F385-L425 HydrophobicContact CE1-CD1 4.42Å
386	K	96.1	Very high	94	Very high	99 Å²	99	63.9 Å²	63.9	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-51	-48.8	174.5	177.2	-172.7	176.3	-172.1	0	111.7	R382 R388 L389 G390 V418 S422 L427	R382-K386 PolarHBondContact O-N 2.86Å; K386-R388 PolarHBondContact O-N 3.47Å; K386-L389 PolarHBondContact O-N 3.24Å; K386-G390 PolarHBondContact O-N 3.05Å; K386-V418 HydrophobicContact CG-CG1 4.36Å; K386-S422 WeakPolarHBondContact CD-OG 3.24Å; K386-S422 WeakPolarHBondContact CG-OG 3.41Å; K386-L427 HydrophobicContact CB-CD1 3.99Å; K386-L427 HydrophobicContact CD-CD1 3.78Å; K386-L427 HydrophobicContact CG-CD1 4.39Å
387	K	95.4	Very high	93.5	Very high	141 Å²	141	72.6 Å²	72.6	61%	0.613	38%	0.383	S	S	*	.	H	α-helix	trans	-58.6	-49.1	-178.8	-174	-171.7	175.7	-166.2	0	111.4	S383 Q384 F385 L389 G390 E391	S383-K387 PolarHBondContact O-N 3.35Å; S383-K387 VanDerWaalsContact O-N 3.1Å; Q384-K387 PolarHBondContact O-N 3.36Å; F385-K387 VanDerWaalsContact C-N 3.29Å; F385-K387 PolarHBondContact O-N 3.11Å; K387-L389 PolarHBondContact O-N 2.93Å; K387-G390 WeakPolarHBondContact O-CA 3.45Å; K387-G390 PolarHBondContact O-N 2.63Å; K387-G390 VanDerWaalsContact O-N 3.14Å; K387-E391 VanDerWaalsContact CE-OE1 3.25Å; K387-E391 WeakPolarHBondContact CE-OE1 3.45Å; K387-E391 IonicContact NZ-OE1 3.62Å; K387-E391 WeakPolarHBondContact O-CG 3.38Å; K387-E391 PolarHBondContact O-N 2.99Å
388	R	97.4	Very high	93	Very high	57 Å²	57	75.8 Å²	75.8	22%	0.215	41%	0.41	C	S	.	.	H	α-helix	trans	-65.4	-36.3	-179.4	-71.7	-171.7	67.6	-165.3	2.5	113.3	E351 V354 Q384 F385 K386 G390 E391 L392	E351-R388 IonicContact OE1-CZ 3.67Å; E351-R388 IonicContact OE1-NH1 3.36Å; E351-R388 PolarHBondContact OE1-NH1 3.19Å; E351-R388 IonicContact OE1-NH2 3.63Å; E351-R388 IonicContact OE2-CZ 2.8Å; E351-R388 VanDerWaalsContact OE2-CZ 3.27Å; E351-R388 IonicContact OE2-NH1 3.05Å; E351-R388 PolarHBondContact OE2-NH1 3.05Å; E351-R388 IonicContact OE2-NH2 3.63Å; E351-R388 PolarHBondContact OE2-NH2 2.93Å; V354-R388 HydrophobicContact CG2-CB 4.15Å; Q384-R388 WeakPolarHBondContact O-CG 3.48Å; Q384-R388 PolarHBondContact O-N 3.29Å; F385-R388 PolarHBondContact O-N 3.27Å; K386-R388 PolarHBondContact O-N 3.47Å; R388-G390 VanDerWaalsContact C-N 3.32Å; R388-E391 PolarHBondContact O-N 3.48Å; R388-L392 PolarHBondContact O-N 3.33Å
389	L	97.4	Very high	92.2	Very high	1 Å²	1	75.4 Å²	75.4	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-63.6	-42.6	172.6	-61.8	-171.5	0	0	0	111	V354 F357 F385 K386 K387 E391 L392 V393 V418 L421	V354-L389 HydrophobicContact CB-CD2 4.47Å; V354-L389 HydrophobicContact CG2-CD2 4.03Å; F357-L389 HydrophobicContact CB-CD2 3.64Å; F357-L389 HydrophobicContact CD1-CB 4.4Å; F357-L389 HydrophobicContact CD1-CD2 3.73Å; F357-L389 HydrophobicContact CD2-CD1 4.4Å; F357-L389 HydrophobicContact CD2-CD2 4.26Å; F357-L389 HydrophobicContact CE1-CB 4.29Å; F357-L389 HydrophobicContact CE1-CD2 4.44Å; F357-L389 HydrophobicContact CG-CD2 3.62Å; F385-L389 HydrophobicContact CD1-CD1 4.2Å; F385-L389 HydrophobicContact CD2-CD2 4.34Å; F385-L389 HydrophobicContact CD2-CG 4.27Å; F385-L389 HydrophobicContact CE1-CD1 3.67Å; F385-L389 HydrophobicContact CE1-CG 4.36Å; F385-L389 HydrophobicContact CE2-CD1 4.1Å; F385-L389 HydrophobicContact CE2-CD2 3.76Å; F385-L389 HydrophobicContact CE2-CG 4Å; F385-L389 HydrophobicContact CZ-CD1 3.62Å; F385-L389 HydrophobicContact CZ-CD2 4.04Å; F385-L389 HydrophobicContact CZ-CG 4.06Å; F385-L389 WeakPolarHBondContact O-CG 3.47Å; F385-L389 PolarHBondContact O-N 3.04Å; K386-L389 PolarHBondContact O-N 3.24Å; K387-L389 PolarHBondContact O-N 2.93Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.9Å; L389-L392 WeakPolarHBondContact O-CB 3.29Å; L389-L392 PolarHBondContact O-N 3.44Å; L389-L392 VanDerWaalsContact O-N 3.08Å; L389-V393 WeakPolarHBondContact O-CG2 3.44Å; L389-V418 HydrophobicContact CB-CG1 4.36Å; L389-V418 HydrophobicContact CB-CG2 3.69Å; L389-V418 HydrophobicContact CD1-CG2 4.48Å; L389-L421 HydrophobicContact CD1-CD1 3.52Å
390	G	94.3	Very high	91.2	Very high	33 Å²	33	81.4 Å²	81.4	34%	0.34	44%	0.436	S	S	.	.	H	α-helix	trans	-58.3	-40.3	175.8	0	0	0	0	0	113.3	K386 K387 R388 L392 V393	K386-G390 PolarHBondContact O-N 3.05Å; K387-G390 WeakPolarHBondContact O-CA 3.45Å; K387-G390 PolarHBondContact O-N 2.63Å; K387-G390 VanDerWaalsContact O-N 3.14Å; R388-G390 VanDerWaalsContact C-N 3.32Å; G390-L392 PolarHBondContact O-N 2.86Å; G390-V393 WeakPolarHBondContact O-CB 3.47Å; G390-V393 PolarHBondContact O-N 3.24Å
391	E	94.4	Very high	90	Very high	124 Å²	124	80.2 Å²	80.2	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-62.3	-24.5	175.7	-69.5	166.1	-177.8	0	0	113.2	K387 R388 L389	K387-E391 VanDerWaalsContact CE-OE1 3.25Å; K387-E391 WeakPolarHBondContact CE-OE1 3.45Å; K387-E391 IonicContact NZ-OE1 3.62Å; K387-E391 WeakPolarHBondContact O-CG 3.38Å; K387-E391 PolarHBondContact O-N 2.99Å; R388-E391 PolarHBondContact O-N 3.48Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.9Å
392	L	95.1	Very high	89.4	Confident	76 Å²	76	80 Å²	80	40%	0.398	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.4	176.4	-64	177.6	0	0	0	113.6	V354 F357 R388 L389 G390 P394	V354-L392 HydrophobicContact CG1-CD1 3.62Å; F357-L392 HydrophobicContact CD1-CB 4.31Å; F357-L392 HydrophobicContact CD1-CD1 4.16Å; F357-L392 HydrophobicContact CE1-CB 4.11Å; R388-L392 PolarHBondContact O-N 3.33Å; L389-L392 WeakPolarHBondContact O-CB 3.29Å; L389-L392 PolarHBondContact O-N 3.44Å; L389-L392 VanDerWaalsContact O-N 3.08Å; G390-L392 PolarHBondContact O-N 2.86Å; L392-P394 WeakPolarHBondContact O-CD 3.24Å
393	V	95.7	Very high	89.1	Confident	11 Å²	11	77.4 Å²	77.4	7%	0.067	44%	0.437	C	S	.	.	S	Bend	trans	-92.1	117.9	176.7	-172.9	0	0	0	0	109	F357 L389 G390 L395 R414 H415 V418	F357-V393 HydrophobicContact CE1-CG2 4.4Å; F357-V393 HydrophobicContact CZ-CG2 4.21Å; L389-V393 WeakPolarHBondContact O-CG2 3.44Å; G390-V393 WeakPolarHBondContact O-CB 3.47Å; G390-V393 PolarHBondContact O-N 3.24Å; V393-L395 HydrophobicContact CB-CG 4.33Å; V393-L395 HydrophobicContact CG1-CD1 4.4Å; V393-L395 HydrophobicContact CG1-CD2 3.71Å; V393-L395 HydrophobicContact CG1-CG 3.75Å; V393-L395 PolarHBondContact O-N 3.46Å; V393-R414 HydrophobicContact CG1-CB 4.34Å; V393-R414 HydrophobicContact CG2-CB 4.22Å; V393-H415 HydrophobicContact CG1-CB 3.75Å; V393-V418 HydrophobicContact CG2-CG2 3.84Å
394	P	92.7	Very high	89	Confident	81 Å²	81	74.3 Å²	74.3	53%	0.526	42%	0.417	S	S	.	.			trans	-77	87.8	176.9	30.3	-31.5	0	0	0	110.1	L392 A411	L392-P394 WeakPolarHBondContact O-CD 3.24Å; P394-A411 HydrophobicContact CG-CB 3.76Å
395	L	92.9	Very high	89	Confident	67 Å²	67	71.7 Å²	71.7	35%	0.351	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-95.3	148.5	171.7	-59.7	177.3	0	0	0	110.4	V393 P406 H415	V393-L395 HydrophobicContact CB-CG 4.33Å; V393-L395 HydrophobicContact CG1-CD1 4.4Å; V393-L395 HydrophobicContact CG1-CD2 3.71Å; V393-L395 HydrophobicContact CG1-CG 3.75Å; V393-L395 PolarHBondContact O-N 3.46Å; L395-P406 HydrophobicContact CD2-CB 4.27Å; L395-H415 HydrophobicContact CD2-CB 4.42Å
396	G	88.4	Confident	88.9	Confident	45 Å²	45	71.8 Å²	71.8	46%	0.464	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-68.9	173.8	170.2	0	0	0	0	0	112.7	G404 F405	G396-G404 WeakPolarHBondContact O-CA 3.35Å; G396-F405 PolarHBondContact N-O 3.08Å
397	E	85.4	Confident	88.8	Confident	191 Å²	191	70.2 Å²	70.2	89%	0.893	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-58.5	144.2	173.9	-65.7	-173.2	169.4	0	0	111	G399	E397-G399 PolarHBondContact O-N 3.42Å
398	A	83.8	Confident	88.9	Confident	69 Å²	69	67.2 Å²	67.2	57%	0.57	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-65.6	123.5	178.8	0	0	0	0	0	110.1	F403	A398-F403 WeakPolarHBondContact CA-O 3.3Å
399	G	74.6	Confident	88.8	Confident	44 Å²	44	67.1 Å²	67.1	45%	0.454	41%	0.414	S	S	.	.			trans	-74.7	-170.3	177	0	0	0	0	0	113.1	E397 D401 G402 F403	E397-G399 PolarHBondContact O-N 3.42Å; G399-D401 PolarHBondContact O-N 3.43Å; G399-G402 PolarHBondContact O-N 3.03Å; G399-F403 PolarHBondContact N-O 3.04Å
400	E	68	Low	88.8	Confident	207 Å²	207	72.9 Å²	72.9	97%	0.967	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32	178.1	-65.8	-175.6	169	0	0	112.8	G402	E400-G402 PolarHBondContact O-N 3.14Å
401	D	67.3	Low	89	Confident	126 Å²	126	71.4 Å²	71.4	67%	0.674	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.9	176.4	-58.7	-45.3	0	0	0	113.8	G399 F403	G399-D401 PolarHBondContact O-N 3.43Å; D401-F403 HydrophobicContact CB-CD2 4.04Å; D401-F403 HydrophobicContact CB-CE2 4.41Å
402	G	79.9	Confident	89.1	Confident	47 Å²	47	65.6 Å²	65.6	49%	0.485	40%	0.396	S	S	.	.	S	Bend	trans	80.3	9.8	177.1	0	0	0	0	0	115.6	G399 E400	G399-G402 PolarHBondContact O-N 3.03Å; E400-G402 PolarHBondContact O-N 3.14Å
403	F	86.9	Confident	89.3	Confident	24 Å²	24	63.2 Å²	63.2	11%	0.105	38%	0.383	C	S	.	.			trans	-110.1	140	177.5	-51.5	-59.3	0	0	0	111.9	A398 G399 D401 F405 T441 E442 A445	A398-F403 WeakPolarHBondContact CA-O 3.3Å; G399-F403 PolarHBondContact N-O 3.04Å; D401-F403 HydrophobicContact CB-CD2 4.04Å; D401-F403 HydrophobicContact CB-CE2 4.41Å; F403-F405 HydrophobicContact CB-CE2 4.39Å; F403-F405 HydrophobicContact CB-CZ 4.17Å; F403-T441 HydrophobicContact CE2-CG2 4.4Å; F403-E442 HydrophobicContact CD1-CB 4.13Å; F403-E442 HydrophobicContact CD1-CG 3.74Å; F403-E442 HydrophobicContact CE1-CB 3.57Å; F403-E442 HydrophobicContact CE1-CG 3.69Å; F403-E442 HydrophobicContact CE2-CB 4.46Å; F403-E442 HydrophobicContact CG-CG 4.4Å; F403-E442 HydrophobicContact CZ-CB 3.76Å; F403-E442 HydrophobicContact CZ-CG 4.3Å; F403-A445 HydrophobicContact CD2-CB 4.31Å
404	G	91.4	Very high	89.4	Confident	14 Å²	14	64.4 Å²	64.4	14%	0.144	39%	0.386	C	S	.	.			trans	-94.2	134.5	169.2	0	0	0	0	0	110.3	G396 H446	G396-G404 WeakPolarHBondContact O-CA 3.35Å; G404-H446 PolarHBondContact O-NE2 2.93Å
405	F	94.9	Very high	89.7	Confident	47 Å²	47	61.4 Å²	61.4	21%	0.206	37%	0.365	C	S	.	.			trans	-108.3	150.8	-173.3	-67.1	-77	0	0	0	113.2	G396 F403 A445 H449	G396-F405 PolarHBondContact N-O 3.08Å; F403-F405 HydrophobicContact CB-CE2 4.39Å; F403-F405 HydrophobicContact CB-CZ 4.17Å; F405-A445 HydrophobicContact CE1-CB 4.08Å; F405-A445 HydrophobicContact CZ-CB 4.16Å; F405-H449 HydrophobicContact CD1-CB 3.71Å; F405-H449 AromaticContact CD1-CD2 3.97Å; F405-H449 AromaticContact CD1-CG 3.67Å; F405-H449 HydrophobicContact CE1-CB 3.97Å; F405-H449 HydrophobicContact CG-CB 4.45Å; F405-H449 AromaticContact CG-CG 3.97Å; F405-H449 AromaticContact CG-ND1 3.96Å
406	P	95.1	Very high	89.9	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.019	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-69.2	141.3	176.4	28.3	-34.6	0	0	0	111.7	L395 A411 L412 H449 F453	L395-P406 HydrophobicContact CD2-CB 4.27Å; P406-A411 HydrophobicContact CB-CB 3.71Å; P406-L412 HydrophobicContact CB-CB 3.9Å; P406-L412 HydrophobicContact CG-CB 3.79Å; P406-L412 HydrophobicContact CG-CD1 4.3Å; P406-L412 HydrophobicContact CG-CG 4.11Å; P406-H449 PolarHBondContact O-NE2 3.41Å; P406-F453 HydrophobicContact CG-CE2 4.49Å; P406-F453 WeakPolarHBondContact O-CZ 3.46Å
407	G	94.5	Very high	90.4	Very high	67 Å²	67	56.2 Å²	56.2	69%	0.691	33%	0.327	S	S	*	.	S	Bend	trans	-85.1	-21.1	177	0	0	0	0	0	114.9	F453	G407-F453 WeakPolarHBondContact O-CE1 3.28Å
408	D	95.9	Very high	91	Very high	78 Å²	78	47.6 Å²	47.6	42%	0.417	29%	0.288	S	S	.	.	S	Bend	trans	-147.1	176.6	178.9	70.7	24.6	0	0	0	112.3	K410 A411 L412	D408-K410 VanDerWaalsContact C-N 3.28Å; D408-K410 PolarHBondContact O-N 3.06Å; D408-K410 WeakPolarHBondContact OD1-CA 3.49Å; D408-K410 WeakPolarHBondContact OD1-CB 3.24Å; D408-K410 PolarHBondContact OD1-N 2.98Å; D408-A411 PolarHBondContact O-N 2.79Å; D408-A411 WeakPolarHBondContact OD1-CB 3.34Å; D408-A411 PolarHBondContact OD1-N 3.01Å; D408-L412 WeakPolarHBondContact O-CB 3.47Å; D408-L412 PolarHBondContact O-N 3.33Å
409	T	96.6	Very high	91.7	Very high	54 Å²	54	44.8 Å²	44.8	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-25.6	-179	54.8	0	0	0	0	113.6	Q413 F453 F464	T409-Q413 WeakPolarHBondContact O-CB 3.3Å; T409-Q413 PolarHBondContact O-N 3.37Å; T409-F453 HydrophobicContact CG2-CB 3.73Å; T409-F453 HydrophobicContact CG2-CG 4.15Å; T409-F464 HydrophobicContact CG2-CD1 4.01Å; T409-F464 HydrophobicContact CG2-CD2 3.83Å; T409-F464 HydrophobicContact CG2-CE1 4.15Å; T409-F464 HydrophobicContact CG2-CE2 3.98Å; T409-F464 HydrophobicContact CG2-CG 3.85Å; T409-F464 HydrophobicContact CG2-CZ 4.14Å
410	K	97.1	Very high	92.8	Very high	123 Å²	123	43 Å²	43	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-75.4	-44.4	178.2	-66.1	179.9	-179	172	0	110.9	D362 D408 L412 Q413 R414	D362-K410 HydrophobicContact CB-CB 3.77Å; D362-K410 HydrophobicContact CB-CG 4.02Å; D408-K410 VanDerWaalsContact C-N 3.28Å; D408-K410 PolarHBondContact O-N 3.06Å; D408-K410 WeakPolarHBondContact OD1-CA 3.49Å; D408-K410 WeakPolarHBondContact OD1-CB 3.24Å; D408-K410 PolarHBondContact OD1-N 2.98Å; K410-L412 VanDerWaalsContact C-N 3.3Å; K410-Q413 PolarHBondContact O-N 3.18Å; K410-R414 WeakPolarHBondContact O-CG 3.18Å; K410-R414 PolarHBondContact O-N 3.3Å
411	A	97.6	Very high	94.2	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-43.6	172.9	0	0	0	0	0	110.7	P394 P406 D408 R414 H415	P394-A411 HydrophobicContact CG-CB 3.76Å; P406-A411 HydrophobicContact CB-CB 3.71Å; D408-A411 PolarHBondContact O-N 2.79Å; D408-A411 WeakPolarHBondContact OD1-CB 3.34Å; D408-A411 PolarHBondContact OD1-N 3.01Å; A411-R414 PolarHBondContact O-N 2.93Å; A411-H415 PolarHBondContact O-N 2.9Å
412	L	98	Very high	95.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-49.4	176.1	-173.6	156.4	0	0	0	111.6	P406 D408 K410 R414 H415 L416 F453 F464 Y468	P406-L412 HydrophobicContact CB-CB 3.9Å; P406-L412 HydrophobicContact CG-CB 3.79Å; P406-L412 HydrophobicContact CG-CD1 4.3Å; P406-L412 HydrophobicContact CG-CG 4.11Å; D408-L412 WeakPolarHBondContact O-CB 3.47Å; D408-L412 PolarHBondContact O-N 3.33Å; K410-L412 VanDerWaalsContact C-N 3.3Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 3.38Å; L412-H415 PolarHBondContact O-N 3.49Å; L412-L416 WeakPolarHBondContact O-CB 3.34Å; L412-L416 PolarHBondContact O-N 3.46Å; L412-F453 HydrophobicContact CD1-CD2 3.65Å; L412-F453 HydrophobicContact CD1-CE2 3.89Å; L412-F464 HydrophobicContact CD2-CB 4.38Å; L412-F464 VanDerWaalsContact CD2-O 3.29Å; L412-F464 WeakPolarHBondContact CD2-O 3.45Å; L412-Y468 HydrophobicContact CD2-CE2 3.87Å; L412-Y468 HydrophobicContact CG-CE2 3.98Å; L412-Y468 PolarHBondContact O-OH 2.98Å
413	Q	98.3	Very high	96.4	Very high	26 Å²	26	25.4 Å²	25.4	12%	0.121	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-36	179.7	-177.9	57.8	65.1	0	0	112.4	G361 D362 T409 K410 C417	G361-Q413 CarbonylContact O-C 3.58Å; D362-Q413 VanDerWaalsContact C-CG 3.47Å; D362-Q413 WeakPolarHBondContact O-CG 3.39Å; T409-Q413 WeakPolarHBondContact O-CB 3.3Å; T409-Q413 PolarHBondContact O-N 3.37Å; K410-Q413 PolarHBondContact O-N 3.18Å; Q413-C417 WeakPolarHBondContact O-CB 3.36Å; Q413-C417 PolarHBondContact O-N 2.95Å
414	R	98.3	Very high	96.9	Very high	37 Å²	37	24.8 Å²	24.8	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-51.9	173.5	-76.7	173	-178.3	-88.3	-8.4	111.2	F357 G358 G361 D362 V393 K410 A411 L412 L416 C417 V418	F357-R414 HydrophobicContact CZ-CB 3.89Å; F357-R414 HydrophobicContact CZ-CG 4.23Å; F357-R414 WeakPolarHBondContact CZ-O 3.25Å; F357-R414 PolarHBondContact O-NH1 3.2Å; F357-R414 VanDerWaalsContact O-NH1 3.1Å; G358-R414 PolarHBondContact O-NH1 3.01Å; G358-R414 PolarHBondContact O-NH2 3.49Å; G361-R414 WeakPolarHBondContact O-CA 3.4Å; G361-R414 WeakPolarHBondContact O-CG 3.36Å; G361-R414 PolarHBondContact O-N 2.99Å; D362-R414 HydrophobicContact CB-CG 4.33Å; D362-R414 IonicContact OD1-NH2 2.71Å; D362-R414 PolarHBondContact OD1-NH2 3.19Å; V393-R414 HydrophobicContact CG1-CB 4.34Å; V393-R414 HydrophobicContact CG2-CB 4.22Å; K410-R414 WeakPolarHBondContact O-CG 3.18Å; K410-R414 PolarHBondContact O-N 3.3Å; A411-R414 PolarHBondContact O-N 2.93Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 3.38Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 2.92Å; R414-C417 WeakPolarHBondContact O-CB 3.32Å; R414-C417 PolarHBondContact O-N 3.47Å; R414-V418 WeakPolarHBondContact O-CG2 3.5Å; R414-V418 PolarHBondContact O-N 3.48Å
415	H	98.3	Very high	97.1	Very high	18 Å²	18	24.4 Å²	24.4	8%	0.083	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-46.7	177.7	-174.1	-102.6	0	0	0	111.5	V393 L395 A411 L412 C417 V418 C419 H446 Y468	V393-H415 HydrophobicContact CG1-CB 3.75Å; L395-H415 HydrophobicContact CD2-CB 4.42Å; A411-H415 PolarHBondContact O-N 2.9Å; L412-H415 PolarHBondContact O-N 3.49Å; H415-C417 VanDerWaalsContact C-N 3.3Å; H415-C417 PolarHBondContact O-N 2.88Å; H415-V418 WeakPolarHBondContact O-CA 3.06Å; H415-V418 WeakPolarHBondContact O-CB 3.34Å; H415-V418 PolarHBondContact O-N 3.45Å; H415-C419 VanDerWaalsContact CE1-SG 3.51Å; H415-C419 PolarHBondContact O-N 2.87Å; H415-C419 PolarHBondContact O-SG 2.83Å; H415-C419 VanDerWaalsContact O-SG 3.35Å; H415-H446 AromaticContact CE1-CD2 3.66Å; H415-H446 AromaticContact CE1-CE1 3.83Å; H415-H446 AromaticContact CE1-NE2 3.42Å; H415-H446 PolarHBondContact CE1-NE2 3.42Å; H415-H446 AromaticContact ND1-CD2 3.62Å; H415-H446 AromaticContact ND1-NE2 3.78Å; H415-H446 AromaticContact NE2-NE2 3.97Å; H415-Y468 WeakPolarHBondContact CB-OH 3.34Å; H415-Y468 AromaticContact ND1-CE1 3.59Å; H415-Y468 AromaticContact ND1-CZ 3.55Å; H415-Y468 PolarHBondContact ND1-OH 3.33Å
416	L	98.1	Very high	97.1	Very high	3 Å²	3	23 Å²	23	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-44	177.6	176.7	64.3	0	0	0	111.7	L412 R414 V418 C419 Q420 M467 Y468 M471	L412-L416 WeakPolarHBondContact O-CB 3.34Å; L412-L416 PolarHBondContact O-N 3.46Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 2.92Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 2.86Å; L416-C419 WeakPolarHBondContact O-CB 3.4Å; L416-C419 PolarHBondContact O-N 3.44Å; L416-Q420 HydrophobicContact CD1-CG 4.44Å; L416-Q420 WeakPolarHBondContact O-CG 3.44Å; L416-Q420 PolarHBondContact O-N 3.26Å; L416-M467 HydrophobicContact CD1-CB 3.63Å; L416-M467 HydrophobicContact CD2-CB 3.59Å; L416-M467 HydrophobicContact CD2-CG 4.1Å; L416-M467 HydrophobicContact CG-CB 4.13Å; L416-Y468 WeakPolarHBondContact CA-OH 3.41Å; L416-Y468 HydrophobicContact CB-CE1 4.27Å; L416-Y468 HydrophobicContact CB-CE2 4.24Å; L416-Y468 HydrophobicContact CD1-CD1 3.95Å; L416-Y468 HydrophobicContact CD1-CD2 4.39Å; L416-Y468 HydrophobicContact CD1-CE1 3.93Å; L416-Y468 HydrophobicContact CD1-CE2 4.36Å; L416-Y468 HydrophobicContact CD1-CG 4.17Å; L416-Y468 PolarHBondContact N-OH 3.43Å; L416-M471 HydrophobicContact CD1-SD 4.1Å
417	C	98.3	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-39	175.8	-177.7	0	0	0	0	111.7	F357 Q413 R414 H415 C419 Q420 L421	F357-C417 HydrophobicContact CE2-CB 3.93Å; Q413-C417 WeakPolarHBondContact O-CB 3.36Å; Q413-C417 PolarHBondContact O-N 2.95Å; R414-C417 WeakPolarHBondContact O-CB 3.32Å; R414-C417 PolarHBondContact O-N 3.47Å; H415-C417 VanDerWaalsContact C-N 3.3Å; H415-C417 PolarHBondContact O-N 2.88Å; C417-C419 PolarHBondContact O-N 3.46Å; C417-Q420 PolarHBondContact O-N 2.9Å; C417-L421 WeakPolarHBondContact O-CB 3.44Å; C417-L421 VanDerWaalsContact O-CG 3.28Å; C417-L421 WeakPolarHBondContact O-CG 3.2Å; C417-L421 PolarHBondContact O-N 3.35Å
418	V	98.2	Very high	97.1	Very high	10 Å²	10	22.1 Å²	22.1	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-43.3	173	-179.9	0	0	0	0	111.6	F357 K386 L389 V393 R414 H415 L416 S422	F357-V418 HydrophobicContact CE1-CG2 4.32Å; F357-V418 HydrophobicContact CE2-CG2 3.88Å; F357-V418 HydrophobicContact CZ-CG2 3.5Å; K386-V418 HydrophobicContact CG-CG1 4.36Å; L389-V418 HydrophobicContact CB-CG1 4.36Å; L389-V418 HydrophobicContact CB-CG2 3.69Å; L389-V418 HydrophobicContact CD1-CG2 4.48Å; V393-V418 HydrophobicContact CG2-CG2 3.84Å; R414-V418 WeakPolarHBondContact O-CG2 3.5Å; R414-V418 PolarHBondContact O-N 3.48Å; H415-V418 WeakPolarHBondContact O-CA 3.06Å; H415-V418 WeakPolarHBondContact O-CB 3.34Å; H415-V418 PolarHBondContact O-N 3.45Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 2.86Å; V418-S422 WeakPolarHBondContact O-CB 3.26Å; V418-S422 PolarHBondContact O-N 3.4Å; V418-S422 PolarHBondContact O-OG 3.48Å
419	C	97.9	Very high	97	Very high	10 Å²	10	19.3 Å²	19.3	7%	0.068	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-48.2	175.9	-60.4	0	0	0	0	110.8	H415 L416 C417 S422 R423 Q428 L443 M471	H415-C419 VanDerWaalsContact CE1-SG 3.51Å; H415-C419 PolarHBondContact O-N 2.87Å; H415-C419 PolarHBondContact O-SG 2.83Å; H415-C419 VanDerWaalsContact O-SG 3.35Å; L416-C419 WeakPolarHBondContact O-CB 3.4Å; L416-C419 PolarHBondContact O-N 3.44Å; C417-C419 PolarHBondContact O-N 3.46Å; C419-S422 WeakPolarHBondContact O-CB 3.48Å; C419-S422 PolarHBondContact O-N 2.7Å; C419-R423 PolarHBondContact O-N 2.95Å; C419-Q428 PolarHBondContact O-NE2 3.16Å; C419-L443 HydrophobicContact CB-CD2 4.49Å; C419-M471 HydrophobicContact CB-CE 3.59Å; C419-M471 HydrophobicContact CB-SD 3.81Å
420	Q	98.1	Very high	96.9	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-43.2	179.8	-69.3	169.5	-31.7	0	0	112.1	I367 L416 C417 S422 R423 A424 M471 W665	I367-Q420 HydrophobicContact CB-CB 4.42Å; I367-Q420 HydrophobicContact CD1-CB 3.86Å; I367-Q420 HydrophobicContact CG1-CB 3.89Å; L416-Q420 HydrophobicContact CD1-CG 4.44Å; L416-Q420 WeakPolarHBondContact O-CG 3.44Å; L416-Q420 PolarHBondContact O-N 3.26Å; C417-Q420 PolarHBondContact O-N 2.9Å; Q420-S422 VanDerWaalsContact C-N 3.32Å; Q420-S422 PolarHBondContact O-N 2.96Å; Q420-R423 WeakPolarHBondContact O-CB 3.36Å; Q420-R423 PolarHBondContact O-N 2.95Å; Q420-A424 PolarHBondContact O-N 3.07Å; Q420-M471 HydrophobicContact CG-SD 3.68Å; Q420-W665 HydrophobicContact CB-CG 4.22Å; Q420-W665 HydrophobicContact CG-CD2 4.06Å; Q420-W665 HydrophobicContact CG-CG 4.23Å; Q420-W665 HydrophobicContact CG-CZ2 4.28Å; Q420-W665 VanDerWaalsContact NE2-CE2 3.3Å
421	L	97.8	Very high	96.8	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-38.2	174.5	-72.9	168.2	0	0	0	111.5	I367 L370 L374 L389 C417 R423 A424 L425	I367-L421 HydrophobicContact CD1-CB 4.46Å; I367-L421 HydrophobicContact CD1-CD2 3.49Å; I367-L421 VanDerWaalsContact CD1-CD2 3.49Å; I367-L421 HydrophobicContact CD1-CG 3.73Å; L370-L421 HydrophobicContact CB-CD2 3.97Å; L370-L421 HydrophobicContact CD1-CD1 3.99Å; L374-L421 HydrophobicContact CD1-CD2 4.3Å; L374-L421 HydrophobicContact CD2-CD2 4.1Å; L389-L421 HydrophobicContact CD1-CD1 3.52Å; C417-L421 WeakPolarHBondContact O-CB 3.44Å; C417-L421 VanDerWaalsContact O-CG 3.28Å; C417-L421 WeakPolarHBondContact O-CG 3.2Å; C417-L421 PolarHBondContact O-N 3.35Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 3.36Å; L421-A424 PolarHBondContact O-N 3.37Å; L421-L425 WeakPolarHBondContact O-CB 3.42Å; L421-L425 VanDerWaalsContact O-CG 3.25Å; L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.01Å
422	S	96.8	Very high	96.8	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-38.2	174.8	-60.2	0	0	0	0	111.8	K386 V418 C419 Q420 L427	K386-S422 WeakPolarHBondContact CD-OG 3.24Å; K386-S422 WeakPolarHBondContact CG-OG 3.41Å; V418-S422 WeakPolarHBondContact O-CB 3.26Å; V418-S422 PolarHBondContact O-N 3.4Å; V418-S422 PolarHBondContact O-OG 3.48Å; C419-S422 WeakPolarHBondContact O-CB 3.48Å; C419-S422 PolarHBondContact O-N 2.7Å; Q420-S422 VanDerWaalsContact C-N 3.32Å; Q420-S422 PolarHBondContact O-N 2.96Å; S422-L427 WeakPolarHBondContact O-CB 3.33Å; S422-L427 PolarHBondContact O-N 3.26Å
423	R	96.8	Very high	96.6	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-48.6	173	-165.5	173.2	172.8	89.6	4.2	111.4	C419 Q420 L421 L425 G426 Q428 H429 D478 W665 D666	C419-R423 PolarHBondContact O-N 2.95Å; Q420-R423 WeakPolarHBondContact O-CB 3.36Å; Q420-R423 PolarHBondContact O-N 2.95Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 3.36Å; R423-L425 PolarHBondContact O-N 3.23Å; R423-G426 WeakPolarHBondContact O-CA 3.29Å; R423-G426 PolarHBondContact O-N 3.48Å; R423-Q428 HydrophobicContact CB-CG 4.43Å; R423-Q428 VanDerWaalsContact CB-OE1 3.3Å; R423-H429 PolarHBondContact NH2-NE2 2.9Å; R423-D478 IonicContact CZ-OD2 2.81Å; R423-D478 VanDerWaalsContact CZ-OD2 3.32Å; R423-D478 IonicContact NH1-OD2 2.78Å; R423-D478 PolarHBondContact NH1-OD2 3.38Å; R423-D478 IonicContact NH2-OD1 3.45Å; R423-D478 PolarHBondContact NH2-OD1 3.43Å; R423-D478 IonicContact NH2-OD2 3.49Å; R423-D478 PolarHBondContact NH2-OD2 2.95Å; R423-W665 CarbonylContact C-O 3.12Å; R423-W665 VanDerWaalsContact C-O 3.23Å; R423-W665 HydrophobicContact CB-CB 4.22Å; R423-W665 HydrophobicContact CG-CB 4.37Å; R423-W665 WeakPolarHBondContact CG-O 3.34Å; R423-D666 IonicContact CZ-OD1 3.84Å; R423-D666 IonicContact NE-OD1 2.79Å; R423-D666 PolarHBondContact NE-OD1 2.72Å; R423-D666 IonicContact NH2-OD1 3.98Å; R423-D666 PolarHBondContact NH2-OD1 3.34Å
424	A	96.6	Very high	96.5	Very high	10 Å²	10	32.8 Å²	32.8	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-25.5	-178.6	0	0	0	0	0	113.4	L374 Q420 L421 G426 W665 P667	L374-A424 HydrophobicContact CD1-CB 3.73Å; Q420-A424 PolarHBondContact O-N 3.07Å; L421-A424 PolarHBondContact O-N 3.37Å; A424-G426 VanDerWaalsContact C-N 3.3Å; A424-W665 WeakPolarHBondContact CA-O 3.5Å; A424-W665 PolarHBondContact N-O 3.49Å; A424-P667 WeakPolarHBondContact O-CA 3.39Å; A424-P667 WeakPolarHBondContact O-CB 3.4Å
425	L	95.6	Very high	96.4	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.2	173.7	-71.4	169.6	0	0	0	114	L374 R382 F385 L421 R423 L427	L374-L425 HydrophobicContact CB-CD2 4.08Å; L374-L425 HydrophobicContact CD1-CD2 4.08Å; L374-L425 HydrophobicContact CD1-CG 4.2Å; L374-L425 HydrophobicContact CD2-CD2 4.09Å; L374-L425 HydrophobicContact CG-CD2 4.3Å; R382-L425 HydrophobicContact CB-CD1 4.41Å; R382-L425 HydrophobicContact CB-CD2 4.44Å; R382-L425 HydrophobicContact CG-CD2 3.95Å; R382-L425 PolarHBondContact NH1-O 3.08Å; F385-L425 HydrophobicContact CD1-CD1 3.9Å; F385-L425 HydrophobicContact CE1-CD1 4.42Å; L421-L425 WeakPolarHBondContact O-CB 3.42Å; L421-L425 VanDerWaalsContact O-CG 3.25Å; L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.01Å; R423-L425 PolarHBondContact O-N 3.23Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 HydrophobicContact CB-CD1 4.36Å; L425-L427 HydrophobicContact CB-CG 4.02Å
426	G	94.8	Very high	96.3	Very high	18 Å²	18	31.1 Å²	31.1	19%	0.186	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	4.4	-178	0	0	0	0	0	114.7	R423 A424 Q428 H429 A430	R423-G426 WeakPolarHBondContact O-CA 3.29Å; R423-G426 PolarHBondContact O-N 3.48Å; A424-G426 VanDerWaalsContact C-N 3.3Å; G426-Q428 VanDerWaalsContact C-N 3.32Å; G426-Q428 PolarHBondContact O-N 3.23Å; G426-H429 PolarHBondContact O-N 3.08Å; G426-A430 PolarHBondContact O-N 3.24Å
427	L	94.9	Very high	96.2	Very high	40 Å²	40	32.3 Å²	32.3	21%	0.209	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31	-172.4	-57.6	178.2	0	0	0	113	R382 K386 S422 L425	R382-L427 HydrophobicContact CB-CD2 4.45Å; K386-L427 HydrophobicContact CB-CD1 3.99Å; K386-L427 HydrophobicContact CD-CD1 3.78Å; K386-L427 HydrophobicContact CG-CD1 4.39Å; S422-L427 WeakPolarHBondContact O-CB 3.33Å; S422-L427 PolarHBondContact O-N 3.26Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 HydrophobicContact CB-CD1 4.36Å; L425-L427 HydrophobicContact CB-CG 4.02Å
428	Q	95.3	Very high	96	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.047	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-32.9	177.4	-63.2	-178.3	-10.6	0	0	112.4	C419 R423 G426 A430 L431 K436 L439 M471	C419-Q428 PolarHBondContact O-NE2 3.16Å; R423-Q428 HydrophobicContact CB-CG 4.43Å; R423-Q428 VanDerWaalsContact CB-OE1 3.3Å; G426-Q428 VanDerWaalsContact C-N 3.32Å; G426-Q428 PolarHBondContact O-N 3.23Å; Q428-A430 VanDerWaalsContact C-N 3.29Å; Q428-A430 PolarHBondContact O-N 3.01Å; Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 2.92Å; Q428-K436 WeakPolarHBondContact O-CE 3.48Å; Q428-L439 HydrophobicContact CB-CD2 4Å; Q428-L439 HydrophobicContact CG-CD2 3.66Å; Q428-M471 VanDerWaalsContact NE2-CE 3.33Å
429	H	94.4	Very high	95.9	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.4	177.3	-63.4	95.9	0	0	0	112	R423 G426 L431 D478 D666 P667 R670	R423-H429 PolarHBondContact NH2-NE2 2.9Å; G426-H429 PolarHBondContact O-N 3.08Å; H429-L431 VanDerWaalsContact C-N 3.26Å; H429-L431 PolarHBondContact O-N 2.94Å; H429-D478 IonicContact CD2-OD2 3.52Å; H429-D478 IonicContact NE2-OD2 3.36Å; H429-D666 IonicContact CE1-OD1 2.94Å; H429-D666 IonicContact NE2-OD1 3.32Å; H429-P667 WeakPolarHBondContact CE1-CD 3.28Å; H429-R670 PolarHBondContact CD2-NH1 3Å; H429-R670 VanDerWaalsContact CD2-NH1 3.31Å
430	A	93.9	Very high	95.9	Very high	87 Å²	87	40.5 Å²	40.5	72%	0.719	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.1	177.6	0	0	0	0	0	114.2	G426 Q428	G426-A430 PolarHBondContact O-N 3.24Å; Q428-A430 VanDerWaalsContact C-N 3.29Å; Q428-A430 PolarHBondContact O-N 3.01Å
431	L	96.1	Very high	95.7	Very high	65 Å²	65	42.4 Å²	42.4	34%	0.34	23%	0.234	S	C	.	.	S	Bend	trans	-70.6	147.6	174.2	-62.9	174	0	0	0	110.5	Q428 H429 K436 L439	Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 2.92Å; H429-L431 VanDerWaalsContact C-N 3.26Å; H429-L431 PolarHBondContact O-N 2.94Å; L431-K436 HydrophobicContact CB-CG 3.84Å; L431-K436 VanDerWaalsContact O-CE 3.26Å; L431-K436 WeakPolarHBondContact O-CE 2.94Å; L431-L439 HydrophobicContact CD1-CB 4.3Å; L431-L439 HydrophobicContact CD1-CD2 3.93Å
432	D	96.2	Very high	95.6	Very high	106 Å²	106	44.8 Å²	44.8	57%	0.567	25%	0.245	S	C	*	.			trans	-76.1	177.2	168	61.1	0.1	0	0	0	111.4	E434 G435 K436	D432-E434 VanDerWaalsContact C-N 3.32Å; D432-E434 PolarHBondContact O-N 3.02Å; D432-G435 PolarHBondContact O-N 3.35Å; D432-G435 WeakPolarHBondContact OD1-CA 3.44Å; D432-G435 PolarHBondContact OD1-N 3.26Å; D432-K436 WeakPolarHBondContact O-CG 3.38Å; D432-K436 PolarHBondContact O-N 2.86Å
433	T	95.4	Very high	95.6	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-56.3	-44.9	-178.1	-54	0	0	0	0	112.2	K436 L437 L479	T433-K436 PolarHBondContact O-N 3.36Å; T433-L437 HydrophobicContact CG2-CD1 4.24Å; T433-L437 VanDerWaalsContact O-CG 3.32Å; T433-L437 WeakPolarHBondContact O-CG 3.45Å; T433-L437 PolarHBondContact O-N 3.38Å; T433-L479 HydrophobicContact CG2-CD2 4.03Å
434	E	94.9	Very high	95.6	Very high	155 Å²	155	45.1 Å²	45.1	72%	0.724	25%	0.246	S	C	*	.	H	α-helix	trans	-65.5	-43.4	178.6	-172	178.9	171.8	0	0	111.5	D432 K436 L437 R438	D432-E434 VanDerWaalsContact C-N 3.32Å; D432-E434 PolarHBondContact O-N 3.02Å; E434-K436 VanDerWaalsContact C-N 3.35Å; E434-K436 PolarHBondContact O-N 3.01Å; E434-L437 PolarHBondContact O-N 3.5Å; E434-R438 PolarHBondContact O-N 3.45Å
435	G	95.8	Very high	95.5	Very high	19 Å²	19	46 Å²	46	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-40.1	175.7	0	0	0	0	0	113.1	D432 R438 L439	D432-G435 PolarHBondContact O-N 3.35Å; D432-G435 WeakPolarHBondContact OD1-CA 3.44Å; D432-G435 PolarHBondContact OD1-N 3.26Å; G435-R438 PolarHBondContact O-N 3.38Å; G435-L439 WeakPolarHBondContact O-CB 3.44Å; G435-L439 PolarHBondContact O-N 3.26Å
436	K	96.8	Very high	95.5	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-41.6	175.6	-73.2	-178.3	-176.7	176	0	112.2	Q428 L431 D432 T433 E434 L439 I440 V475 L479 E482	Q428-K436 WeakPolarHBondContact O-CE 3.48Å; L431-K436 HydrophobicContact CB-CG 3.84Å; L431-K436 VanDerWaalsContact O-CE 3.26Å; L431-K436 WeakPolarHBondContact O-CE 2.94Å; D432-K436 WeakPolarHBondContact O-CG 3.38Å; D432-K436 PolarHBondContact O-N 2.86Å; T433-K436 PolarHBondContact O-N 3.36Å; E434-K436 VanDerWaalsContact C-N 3.35Å; E434-K436 PolarHBondContact O-N 3.01Å; K436-L439 PolarHBondContact O-N 3.05Å; K436-I440 WeakPolarHBondContact O-CG1 3.34Å; K436-I440 PolarHBondContact O-N 3.29Å; K436-V475 HydrophobicContact CB-CG1 3.82Å; K436-V475 HydrophobicContact CD-CG1 4.48Å; K436-V475 HydrophobicContact CG-CG1 4.12Å; K436-L479 HydrophobicContact CB-CD1 3.99Å; K436-L479 HydrophobicContact CB-CD2 3.86Å; K436-L479 HydrophobicContact CB-CG 3.96Å; K436-L479 HydrophobicContact CD-CD2 3.72Å; K436-L479 HydrophobicContact CD-CG 4.01Å; K436-L479 HydrophobicContact CG-CD2 4.4Å; K436-E482 IonicContact NZ-OE1 3.66Å; K436-E482 PolarHBondContact NZ-OE1 3.23Å; K436-E482 IonicContact NZ-OE2 3.24Å; K436-E482 PolarHBondContact NZ-OE2 3.15Å
437	L	95.4	Very high	95.7	Very high	28 Å²	28	45 Å²	45	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-43.7	175	-71.4	169.9	0	0	0	111.4	T433 E434 L439 I440 T441 L479 M488 Y930	T433-L437 HydrophobicContact CG2-CD1 4.24Å; T433-L437 VanDerWaalsContact O-CG 3.32Å; T433-L437 WeakPolarHBondContact O-CG 3.45Å; T433-L437 PolarHBondContact O-N 3.38Å; E434-L437 PolarHBondContact O-N 3.5Å; L437-L439 VanDerWaalsContact C-N 3.34Å; L437-L439 PolarHBondContact O-N 3.12Å; L437-I440 WeakPolarHBondContact O-CB 3.1Å; L437-I440 PolarHBondContact O-N 3.39Å; L437-T441 PolarHBondContact O-N 2.91Å; L437-T441 PolarHBondContact O-OG1 2.71Å; L437-L479 HydrophobicContact CD2-CD1 3.87Å; L437-L479 HydrophobicContact CG-CD1 4.16Å; L437-M488 HydrophobicContact CD2-SD 4.19Å; L437-Y930 HydrophobicContact CD1-CD1 4.25Å; L437-Y930 HydrophobicContact CD1-CE1 3.8Å
438	R	94.8	Very high	95.7	Very high	170 Å²	170	46.1 Å²	46.1	64%	0.642	25%	0.247	S	C	*	.	H	α-helix	trans	-61.6	-41.8	174.8	-174.9	176.9	180	170.9	2	112.2	E434 G435 I440 T441 E442	E434-R438 PolarHBondContact O-N 3.45Å; G435-R438 PolarHBondContact O-N 3.38Å; R438-I440 VanDerWaalsContact C-N 3.34Å; R438-T441 PolarHBondContact O-N 3.48Å; R438-E442 PolarHBondContact O-N 3.17Å
439	L	96.4	Very high	95.7	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-41.5	175.5	175.2	63.1	0	0	0	111.5	Q428 L431 G435 K436 L437 T441 E442 L443 V475	Q428-L439 HydrophobicContact CB-CD2 4Å; Q428-L439 HydrophobicContact CG-CD2 3.66Å; L431-L439 HydrophobicContact CD1-CB 4.3Å; L431-L439 HydrophobicContact CD1-CD2 3.93Å; G435-L439 WeakPolarHBondContact O-CB 3.44Å; G435-L439 PolarHBondContact O-N 3.26Å; K436-L439 PolarHBondContact O-N 3.05Å; L437-L439 VanDerWaalsContact C-N 3.34Å; L437-L439 PolarHBondContact O-N 3.12Å; L439-T441 VanDerWaalsContact C-N 3.34Å; L439-T441 PolarHBondContact O-N 2.94Å; L439-E442 PolarHBondContact O-N 3.34Å; L439-L443 HydrophobicContact CD1-CD1 4.05Å; L439-L443 HydrophobicContact CD1-CD2 4.44Å; L439-L443 HydrophobicContact CD1-CG 3.99Å; L439-L443 HydrophobicContact CG-CD1 3.88Å; L439-L443 HydrophobicContact CG-CG 4.27Å; L439-L443 WeakPolarHBondContact O-CB 3.3Å; L439-L443 WeakPolarHBondContact O-CG 3.23Å; L439-L443 PolarHBondContact O-N 3.17Å; L439-V475 HydrophobicContact CD2-CG2 3.98Å
440	I	96.6	Very high	95.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.4	-74.6	161.7	0	0	0	110.5	K436 L437 R438 E442 L443 K444 V475 Y476 L479	K436-I440 WeakPolarHBondContact O-CG1 3.34Å; K436-I440 PolarHBondContact O-N 3.29Å; L437-I440 WeakPolarHBondContact O-CB 3.1Å; L437-I440 PolarHBondContact O-N 3.39Å; R438-I440 VanDerWaalsContact C-N 3.34Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 2.95Å; I440-L443 PolarHBondContact O-N 2.78Å; I440-K444 HydrophobicContact CG2-CD 3.9Å; I440-K444 HydrophobicContact CG2-CG 4.42Å; I440-K444 WeakPolarHBondContact O-CB 3.44Å; I440-K444 VanDerWaalsContact O-CG 3.32Å; I440-K444 WeakPolarHBondContact O-CG 3.35Å; I440-K444 PolarHBondContact O-N 2.96Å; I440-V475 HydrophobicContact CD1-CB 4.15Å; I440-V475 HydrophobicContact CD1-CG1 3.75Å; I440-V475 HydrophobicContact CG1-CB 3.83Å; I440-V475 HydrophobicContact CG1-CG1 3.69Å; I440-Y476 HydrophobicContact CD1-CD1 3.67Å; I440-Y476 HydrophobicContact CD1-CD2 4.32Å; I440-Y476 HydrophobicContact CD1-CE1 3.77Å; I440-Y476 HydrophobicContact CD1-CE2 4.42Å; I440-Y476 HydrophobicContact CD1-CG 3.96Å; I440-Y476 HydrophobicContact CG2-CD2 4.38Å; I440-Y476 HydrophobicContact CG2-CE1 4.02Å; I440-Y476 HydrophobicContact CG2-CE2 3.57Å; I440-Y476 VanDerWaalsContact CG2-OH 3.3Å; I440-Y476 WeakPolarHBondContact CG2-OH 3.3Å; I440-L479 HydrophobicContact CD1-CD1 3.67Å
441	T	94.9	Very high	95.8	Very high	48 Å²	48	44.2 Å²	44.2	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-44	177.1	-58	0	0	0	0	111.4	F403 L437 R438 L439 K444 A445 S931	F403-T441 HydrophobicContact CE2-CG2 4.4Å; L437-T441 PolarHBondContact O-N 2.91Å; L437-T441 PolarHBondContact O-OG1 2.71Å; R438-T441 PolarHBondContact O-N 3.48Å; L439-T441 VanDerWaalsContact C-N 3.34Å; L439-T441 PolarHBondContact O-N 2.94Å; T441-K444 PolarHBondContact O-N 2.93Å; T441-A445 WeakPolarHBondContact O-CB 3.39Å; T441-A445 PolarHBondContact O-N 2.89Å; T441-S931 PolarHBondContact OG1-OG 3.3Å
442	E	95.3	Very high	95.8	Very high	52 Å²	52	45.3 Å²	45.3	24%	0.243	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-48.9	176	-177.5	-178.1	168.3	0	0	112.1	F403 R438 L439 I440 K444 A445 H446	F403-E442 HydrophobicContact CD1-CB 4.13Å; F403-E442 HydrophobicContact CD1-CG 3.74Å; F403-E442 HydrophobicContact CE1-CB 3.57Å; F403-E442 HydrophobicContact CE1-CG 3.69Å; F403-E442 HydrophobicContact CE2-CB 4.46Å; F403-E442 HydrophobicContact CG-CG 4.4Å; F403-E442 HydrophobicContact CZ-CB 3.76Å; F403-E442 HydrophobicContact CZ-CG 4.3Å; R438-E442 PolarHBondContact O-N 3.17Å; L439-E442 PolarHBondContact O-N 3.34Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 2.95Å; E442-K444 VanDerWaalsContact C-N 3.35Å; E442-K444 PolarHBondContact O-N 3.36Å; E442-A445 PolarHBondContact O-N 3.39Å; E442-H446 PolarHBondContact O-N 2.98Å; E442-H446 PolarHBondContact O-ND1 3.1Å
443	L	97.5	Very high	95.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-41.5	-179.2	-68.7	170.4	0	0	0	111.3	C419 L439 I440 H446 Y447 Y468 M471 A472 V475	C419-L443 HydrophobicContact CB-CD2 4.49Å; L439-L443 HydrophobicContact CD1-CD1 4.05Å; L439-L443 HydrophobicContact CD1-CD2 4.44Å; L439-L443 HydrophobicContact CD1-CG 3.99Å; L439-L443 HydrophobicContact CG-CD1 3.88Å; L439-L443 HydrophobicContact CG-CG 4.27Å; L439-L443 WeakPolarHBondContact O-CB 3.3Å; L439-L443 WeakPolarHBondContact O-CG 3.23Å; L439-L443 PolarHBondContact O-N 3.17Å; I440-L443 PolarHBondContact O-N 2.78Å; L443-H446 PolarHBondContact O-N 2.93Å; L443-Y447 WeakPolarHBondContact O-CB 3.39Å; L443-Y447 PolarHBondContact O-N 3.06Å; L443-Y468 HydrophobicContact CD2-CD1 3.73Å; L443-Y468 HydrophobicContact CD2-CE1 4.38Å; L443-Y468 WeakPolarHBondContact O-CB 3.49Å; L443-M471 HydrophobicContact CD1-CB 3.96Å; L443-M471 HydrophobicContact CD2-CB 4.32Å; L443-M471 HydrophobicContact CD2-CE 4.39Å; L443-A472 HydrophobicContact CB-CB 4.05Å; L443-A472 HydrophobicContact CD1-CB 4.35Å; L443-V475 HydrophobicContact CD1-CG2 4.4Å
444	K	96	Very high	95.6	Very high	14 Å²	14	39 Å²	39	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-48.3	174.9	-72.3	175.7	66.9	-167.6	0	111.4	I440 T441 E442 H446 Y447 H448 A472 V495 E936	I440-K444 HydrophobicContact CG2-CD 3.9Å; I440-K444 HydrophobicContact CG2-CG 4.42Å; I440-K444 WeakPolarHBondContact O-CB 3.44Å; I440-K444 VanDerWaalsContact O-CG 3.32Å; I440-K444 WeakPolarHBondContact O-CG 3.35Å; I440-K444 PolarHBondContact O-N 2.96Å; T441-K444 PolarHBondContact O-N 2.93Å; E442-K444 VanDerWaalsContact C-N 3.35Å; E442-K444 PolarHBondContact O-N 3.36Å; K444-H446 VanDerWaalsContact C-N 3.27Å; K444-H446 PolarHBondContact O-N 3.29Å; K444-Y447 WeakPolarHBondContact O-CA 3.33Å; K444-Y447 VanDerWaalsContact O-CB 3.31Å; K444-Y447 WeakPolarHBondContact O-CB 3.38Å; K444-Y447 PolarHBondContact O-N 3.34Å; K444-H448 PolarHBondContact O-N 3.45Å; K444-H448 PolarHBondContact O-ND1 3.39Å; K444-A472 HydrophobicContact CG-CB 4.38Å; K444-V495 HydrophobicContact CD-CG2 4.05Å; K444-V495 HydrophobicContact CG-CG2 4.36Å; K444-E936 WeakPolarHBondContact CE-OE1 3.22Å; K444-E936 IonicContact NZ-OE1 2.86Å; K444-E936 PolarHBondContact NZ-OE1 3.32Å; K444-E936 IonicContact NZ-OE2 2.69Å; K444-E936 PolarHBondContact NZ-OE2 3.25Å
445	A	94.8	Very high	95.4	Very high	27 Å²	27	40.2 Å²	40.2	22%	0.223	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-42.3	177.2	0	0	0	0	0	112.1	F403 F405 T441 E442 H449	F403-A445 HydrophobicContact CD2-CB 4.31Å; F405-A445 HydrophobicContact CE1-CB 4.08Å; F405-A445 HydrophobicContact CZ-CB 4.16Å; T441-A445 WeakPolarHBondContact O-CB 3.39Å; T441-A445 PolarHBondContact O-N 2.89Å; E442-A445 PolarHBondContact O-N 3.39Å; A445-H449 WeakPolarHBondContact O-CB 3.44Å; A445-H449 PolarHBondContact O-N 3.47Å
446	H	96.3	Very high	95.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-36.3	175	-76.3	82	0	0	0	113.2	G404 H415 E442 L443 K444 G450 Y468	G404-H446 PolarHBondContact O-NE2 2.93Å; H415-H446 AromaticContact CE1-CD2 3.66Å; H415-H446 AromaticContact CE1-CE1 3.83Å; H415-H446 AromaticContact CE1-NE2 3.42Å; H415-H446 PolarHBondContact CE1-NE2 3.42Å; H415-H446 AromaticContact ND1-CD2 3.62Å; H415-H446 AromaticContact ND1-NE2 3.78Å; H415-H446 AromaticContact NE2-NE2 3.97Å; E442-H446 PolarHBondContact O-N 2.98Å; E442-H446 PolarHBondContact O-ND1 3.1Å; L443-H446 PolarHBondContact O-N 2.93Å; K444-H446 VanDerWaalsContact C-N 3.27Å; K444-H446 PolarHBondContact O-N 3.29Å; H446-G450 PolarHBondContact O-N 3.3Å; H446-Y468 HydrophobicContact CB-CD1 3.99Å; H446-Y468 HydrophobicContact CB-CD2 4.04Å; H446-Y468 HydrophobicContact CB-CE1 3.99Å; H446-Y468 HydrophobicContact CB-CE2 4.04Å; H446-Y468 HydrophobicContact CB-CG 4.03Å
447	Y	97.1	Very high	94.8	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-55.9	173.3	170	-110.4	0	0	0	110.8	L443 K444 G450 L451 S465 C469 G499 F502	L443-Y447 WeakPolarHBondContact O-CB 3.39Å; L443-Y447 PolarHBondContact O-N 3.06Å; K444-Y447 WeakPolarHBondContact O-CA 3.33Å; K444-Y447 VanDerWaalsContact O-CB 3.31Å; K444-Y447 WeakPolarHBondContact O-CB 3.38Å; K444-Y447 PolarHBondContact O-N 3.34Å; Y447-G450 PolarHBondContact O-N 3.06Å; Y447-G450 VanDerWaalsContact O-N 3.15Å; Y447-L451 HydrophobicContact CE1-CD1 4.09Å; Y447-L451 HydrophobicContact CE2-CD2 3.94Å; Y447-L451 HydrophobicContact CE2-CG 4.43Å; Y447-L451 PolarHBondContact O-N 3.32Å; Y447-S465 WeakPolarHBondContact CD2-O 3.45Å; Y447-S465 WeakPolarHBondContact O-CB 3.17Å; Y447-S465 PolarHBondContact O-OG 2.97Å; Y447-C469 HydrophobicContact CD1-CB 4.37Å; Y447-C469 HydrophobicContact CD2-CB 3.67Å; Y447-C469 HydrophobicContact CE2-CB 3.87Å; Y447-C469 HydrophobicContact CG-CB 3.94Å; Y447-G499 WeakPolarHBondContact OH-CA 3.48Å; Y447-F502 WeakPolarHBondContact OH-CD2 3.02Å
448	H	95.4	Very high	94.6	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-44.9	-178.5	-67.8	110	0	0	0	112.5	K444 G450 L451 E498 E936	K444-H448 PolarHBondContact O-N 3.45Å; K444-H448 PolarHBondContact O-ND1 3.39Å; H448-G450 VanDerWaalsContact C-N 3.26Å; H448-G450 PolarHBondContact O-N 2.88Å; H448-L451 WeakPolarHBondContact O-CB 3.31Å; H448-L451 PolarHBondContact O-N 2.96Å; H448-E498 IonicContact CD2-OE1 3.89Å; H448-E498 IonicContact CE1-OE1 2.69Å; H448-E498 IonicContact CE1-OE2 2.68Å; H448-E498 IonicContact NE2-OE1 3.33Å; H448-E498 PolarHBondContact NE2-OE1 2.92Å; H448-E498 IonicContact NE2-OE2 2.59Å; H448-E498 PolarHBondContact NE2-OE2 2.63Å; H448-E936 IonicContact CE1-OE1 2.69Å; H448-E936 PolarHBondContact CE1-OE1 2.91Å; H448-E936 IonicContact NE2-OE1 3.85Å
449	H	94.9	Very high	94.4	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-41	174	178	85.3	0	0	0	111.2	F405 P406 A445 L451 Q452 F453	F405-H449 HydrophobicContact CD1-CB 3.71Å; F405-H449 AromaticContact CD1-CD2 3.97Å; F405-H449 AromaticContact CD1-CG 3.67Å; F405-H449 HydrophobicContact CE1-CB 3.97Å; F405-H449 HydrophobicContact CG-CB 4.45Å; F405-H449 AromaticContact CG-CG 3.97Å; F405-H449 AromaticContact CG-ND1 3.96Å; P406-H449 PolarHBondContact O-NE2 3.41Å; A445-H449 WeakPolarHBondContact O-CB 3.44Å; A445-H449 PolarHBondContact O-N 3.47Å; H449-L451 VanDerWaalsContact C-N 3.31Å; H449-L451 PolarHBondContact O-N 3.45Å; H449-Q452 PolarHBondContact CD2-NE2 2.98Å; H449-Q452 PolarHBondContact CE1-NE2 3.43Å; H449-Q452 PolarHBondContact ND1-NE2 2.94Å; H449-Q452 PolarHBondContact NE2-NE2 3.29Å; H449-Q452 WeakPolarHBondContact O-CG 3.02Å; H449-Q452 PolarHBondContact O-N 2.91Å; H449-Q452 PolarHBondContact O-NE2 3.36Å; H449-F453 AromaticContact NE2-CZ 3.96Å
450	G	95.9	Very high	94.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-24.7	-178.3	0	0	0	0	0	115	H446 Y447 H448 Q452 F453	H446-G450 PolarHBondContact O-N 3.3Å; Y447-G450 PolarHBondContact O-N 3.06Å; Y447-G450 VanDerWaalsContact O-N 3.15Å; H448-G450 VanDerWaalsContact C-N 3.26Å; H448-G450 PolarHBondContact O-N 2.88Å; G450-Q452 PolarHBondContact O-N 3.44Å; G450-Q452 VanDerWaalsContact O-N 3.11Å; G450-F453 WeakPolarHBondContact O-CD2 3.37Å; G450-F453 PolarHBondContact O-N 3.42Å
451	L	95.8	Very high	93.9	Very high	24 Å²	24	58.2 Å²	58.2	13%	0.126	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.8	176.7	-68.5	177.5	0	0	0	112.5	Y447 H448 H449 F453 G454 K455 Q463 S465 F502	Y447-L451 HydrophobicContact CE1-CD1 4.09Å; Y447-L451 HydrophobicContact CE2-CD2 3.94Å; Y447-L451 HydrophobicContact CE2-CG 4.43Å; Y447-L451 PolarHBondContact O-N 3.32Å; H448-L451 WeakPolarHBondContact O-CB 3.31Å; H448-L451 PolarHBondContact O-N 2.96Å; H449-L451 VanDerWaalsContact C-N 3.31Å; H449-L451 PolarHBondContact O-N 3.45Å; L451-F453 PolarHBondContact O-N 2.83Å; L451-G454 PolarHBondContact O-N 3.24Å; L451-K455 PolarHBondContact O-N 2.94Å; L451-Q463 HydrophobicContact CD2-CB 4.25Å; L451-Q463 HydrophobicContact CD2-CG 3.98Å; L451-S465 PolarHBondContact N-OG 3.16Å; L451-F502 HydrophobicContact CD1-CD1 4.28Å; L451-F502 HydrophobicContact CD1-CD2 3.95Å; L451-F502 HydrophobicContact CD1-CE1 4.34Å; L451-F502 HydrophobicContact CD1-CE2 4.02Å; L451-F502 HydrophobicContact CD1-CG 4.09Å; L451-F502 HydrophobicContact CD1-CZ 4.22Å; L451-F502 HydrophobicContact CD2-CB 4.16Å; L451-F502 HydrophobicContact CD2-CG 4.29Å
452	Q	95.3	Very high	93.9	Very high	89 Å²	89	60 Å²	60	42%	0.416	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-62	-30.5	177.2	82.9	-170.1	-61	0	0	113	H449 G450	H449-Q452 PolarHBondContact CD2-NE2 2.98Å; H449-Q452 PolarHBondContact CE1-NE2 3.43Å; H449-Q452 PolarHBondContact ND1-NE2 2.94Å; H449-Q452 PolarHBondContact NE2-NE2 3.29Å; H449-Q452 WeakPolarHBondContact O-CG 3.02Å; H449-Q452 PolarHBondContact O-N 2.91Å; H449-Q452 PolarHBondContact O-NE2 3.36Å; G450-Q452 PolarHBondContact O-N 3.44Å; G450-Q452 VanDerWaalsContact O-N 3.11Å
453	F	95.2	Very high	93.9	Very high	47 Å²	47	58.6 Å²	58.6	21%	0.206	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-78.7	-20.9	-176.9	-57.7	-60.1	0	0	0	112.9	P406 G407 T409 L412 H449 G450 L451 F464	P406-F453 HydrophobicContact CG-CE2 4.49Å; P406-F453 WeakPolarHBondContact O-CZ 3.46Å; G407-F453 WeakPolarHBondContact O-CE1 3.28Å; T409-F453 HydrophobicContact CG2-CB 3.73Å; T409-F453 HydrophobicContact CG2-CG 4.15Å; L412-F453 HydrophobicContact CD1-CD2 3.65Å; L412-F453 HydrophobicContact CD1-CE2 3.89Å; H449-F453 AromaticContact NE2-CZ 3.96Å; G450-F453 WeakPolarHBondContact O-CD2 3.37Å; G450-F453 PolarHBondContact O-N 3.42Å; L451-F453 PolarHBondContact O-N 2.83Å; F453-F464 HydrophobicContact CB-CD2 4.12Å
454	G	91.6	Very high	93.9	Very high	1 Å²	1	63 Å²	63	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-112.5	21	-179.2	0	0	0	0	0	114.5	L451 S456 C457 Q463	L451-G454 PolarHBondContact O-N 3.24Å; G454-S456 PolarHBondContact O-N 3.41Å; G454-S456 VanDerWaalsContact O-N 3.15Å; G454-C457 VanDerWaalsContact CA-SG 3.55Å; G454-C457 VanDerWaalsContact O-CB 3.26Å; G454-C457 WeakPolarHBondContact O-CB 3.27Å; G454-C457 PolarHBondContact O-N 3.48Å; G454-Q463 PolarHBondContact O-NE2 3.46Å; G454-Q463 VanDerWaalsContact O-NE2 3.1Å; G454-Q463 PolarHBondContact O-OE1 3.28Å
455	K	91.5	Very high	93.9	Very high	181 Å²	181	62.3 Å²	62.3	79%	0.787	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	173	-73.2	179.7	175.8	173.6	0	113.6	L451	L451-K455 PolarHBondContact O-N 2.94Å
456	S	89.8	Confident	94.1	Very high	111 Å²	111	61 Å²	61	78%	0.776	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.9	177.7	59.1	0	0	0	0	114	G454	G454-S456 PolarHBondContact O-N 3.41Å; G454-S456 VanDerWaalsContact O-N 3.15Å
457	C	90.5	Very high	94.1	Very high	28 Å²	28	62.9 Å²	62.9	19%	0.189	32%	0.315	C	S	.	.			trans	-65.2	143.2	179.6	-72	0	0	0	0	110.7	G454 E461	G454-C457 VanDerWaalsContact CA-SG 3.55Å; G454-C457 VanDerWaalsContact O-CB 3.26Å; G454-C457 WeakPolarHBondContact O-CB 3.27Å; G454-C457 PolarHBondContact O-N 3.48Å; C457-E461 WeakPolarHBondContact CA-OE2 3.29Å; C457-E461 HydrophobicContact CB-CB 4.2Å
458	L	91.8	Very high	94.2	Very high	109 Å²	109	62.7 Å²	62.7	57%	0.571	31%	0.314	S	S	*	.			trans	-67.8	154.4	170	-62.9	174.7	0	0	0	109.4	T460 E461	L458-T460 PolarHBondContact O-N 3.28Å; L458-E461 HydrophobicContact CB-CG 4.17Å; L458-E461 PolarHBondContact N-OE2 3.48Å; L458-E461 VanDerWaalsContact N-OE2 3.11Å; L458-E461 WeakPolarHBondContact O-CB 3.02Å; L458-E461 PolarHBondContact O-N 2.95Å
459	K	89.3	Confident	94.3	Very high	172 Å²	172	59.8 Å²	59.8	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.9	175.9	-65.8	-169.9	177.3	-171.9	0	113.8	P504 S505	K459-P504 HydrophobicContact CB-CG 4.07Å; K459-S505 WeakPolarHBondContact O-CB 3.38Å; K459-S505 PolarHBondContact O-OG 3.33Å
460	T	90.9	Very high	94.4	Very high	103 Å²	103	57.3 Å²	57.3	63%	0.632	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.6	177.3	51.6	0	0	0	0	113.6	L458 S505	L458-T460 PolarHBondContact O-N 3.28Å; T460-S505 WeakPolarHBondContact CA-OG 3.16Å
461	E	91.7	Very high	94.5	Very high	94 Å²	94	57.3 Å²	57.3	44%	0.439	29%	0.29	S	S	.	.	S	Bend	trans	-93.1	144	176	-66	171.7	169.9	0	0	109.3	C457 L458	C457-E461 WeakPolarHBondContact CA-OE2 3.29Å; C457-E461 HydrophobicContact CB-CB 4.2Å; L458-E461 HydrophobicContact CB-CG 4.17Å; L458-E461 PolarHBondContact N-OE2 3.48Å; L458-E461 VanDerWaalsContact N-OE2 3.11Å; L458-E461 WeakPolarHBondContact O-CB 3.02Å; L458-E461 PolarHBondContact O-N 2.95Å
462	L	94.9	Very high	94.7	Very high	85 Å²	85	56.2 Å²	56.2	45%	0.445	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-76.8	146.3	175	-55.2	-175.5	0	0	0	109.8	N506	L462-N506 HydrophobicContact CD2-CB 3.79Å
463	Q	96.3	Very high	94.8	Very high	24 Å²	24	52 Å²	52	11%	0.112	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.4	145.4	170.8	-64.9	-72.6	-22.7	0	0	109.6	L451 G454 S465 D466 S503	L451-Q463 HydrophobicContact CD2-CB 4.25Å; L451-Q463 HydrophobicContact CD2-CG 3.98Å; G454-Q463 PolarHBondContact O-NE2 3.46Å; G454-Q463 VanDerWaalsContact O-NE2 3.1Å; G454-Q463 PolarHBondContact O-OE1 3.28Å; Q463-S465 PolarHBondContact O-N 3.49Å; Q463-S465 VanDerWaalsContact O-N 3.12Å; Q463-D466 WeakPolarHBondContact CB-OD1 3.22Å; Q463-D466 PolarHBondContact N-OD2 2.83Å; Q463-D466 PolarHBondContact O-N 2.66Å; Q463-S503 WeakPolarHBondContact CB-OG 3.4Å; Q463-S503 WeakPolarHBondContact CG-OG 3.41Å
464	F	96.2	Very high	94.9	Very high	92 Å²	92	50 Å²	50	40%	0.404	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.3	179.7	-62	-77.6	0	0	0	113	T409 L412 F453	T409-F464 HydrophobicContact CG2-CD1 4.01Å; T409-F464 HydrophobicContact CG2-CD2 3.83Å; T409-F464 HydrophobicContact CG2-CE1 4.15Å; T409-F464 HydrophobicContact CG2-CE2 3.98Å; T409-F464 HydrophobicContact CG2-CG 3.85Å; T409-F464 HydrophobicContact CG2-CZ 4.14Å; L412-F464 HydrophobicContact CD2-CB 4.38Å; L412-F464 VanDerWaalsContact CD2-O 3.29Å; L412-F464 WeakPolarHBondContact CD2-O 3.45Å; F453-F464 HydrophobicContact CB-CD2 4.12Å
465	S	97	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.2	-176.4	57.4	0	0	0	0	115.1	Y447 L451 Q463 M467 Y468	Y447-S465 WeakPolarHBondContact CD2-O 3.45Å; Y447-S465 WeakPolarHBondContact O-CB 3.17Å; Y447-S465 PolarHBondContact O-OG 2.97Å; L451-S465 PolarHBondContact N-OG 3.16Å; Q463-S465 PolarHBondContact O-N 3.49Å; Q463-S465 VanDerWaalsContact O-N 3.12Å; S465-M467 PolarHBondContact O-N 2.98Å; S465-Y468 WeakPolarHBondContact O-CB 3.47Å; S465-Y468 PolarHBondContact O-N 3.41Å
466	D	97.8	Very high	95.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-51.8	-36.7	-175.2	-85.7	-10.4	0	0	0	113.8	Q463 Y468 C469 L470 S503 N506 F509	Q463-D466 WeakPolarHBondContact CB-OD1 3.22Å; Q463-D466 PolarHBondContact N-OD2 2.83Å; Q463-D466 PolarHBondContact O-N 2.66Å; D466-Y468 PolarHBondContact O-N 2.93Å; D466-C469 WeakPolarHBondContact O-CB 3.15Å; D466-C469 PolarHBondContact O-N 2.97Å; D466-C469 VanDerWaalsContact O-N 3.13Å; D466-L470 PolarHBondContact O-N 3.23Å; D466-L470 VanDerWaalsContact O-N 3.09Å; D466-S503 WeakPolarHBondContact OD1-CB 3.33Å; D466-S503 PolarHBondContact OD1-OG 2.85Å; D466-S503 WeakPolarHBondContact OD2-CB 3.48Å; D466-S503 PolarHBondContact OD2-OG 3.36Å; D466-N506 WeakPolarHBondContact CB-ND2 3.37Å; D466-N506 PolarHBondContact OD2-ND2 3.24Å; D466-F509 HydrophobicContact CB-CE2 4.24Å; D466-F509 HydrophobicContact CB-CZ 3.78Å; D466-F509 WeakPolarHBondContact O-CZ 3.43Å
467	M	97.4	Very high	95.8	Very high	41 Å²	41	37.1 Å²	37.1	20%	0.202	19%	0.185	C	C	.	.	H	α-helix	trans	-68.8	-21.9	-178.2	-64.1	-65.1	133.8	0	0	113	L416 S465 L470 M471 W665	L416-M467 HydrophobicContact CD1-CB 3.63Å; L416-M467 HydrophobicContact CD2-CB 3.59Å; L416-M467 HydrophobicContact CD2-CG 4.1Å; L416-M467 HydrophobicContact CG-CB 4.13Å; S465-M467 PolarHBondContact O-N 2.98Å; M467-L470 PolarHBondContact O-N 3.24Å; M467-L470 HydrophobicContact SD-CD2 4.11Å; M467-M471 WeakPolarHBondContact O-CB 3.45Å; M467-M471 WeakPolarHBondContact O-CG 3.26Å; M467-M471 PolarHBondContact O-N 2.98Å; M467-W665 HydrophobicContact CB-CH2 4.37Å; M467-W665 HydrophobicContact SD-CH2 3.64Å; M467-W665 HydrophobicContact SD-CZ2 3.72Å
468	Y	98.3	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-42.7	169.9	-72.4	-65.4	0	0	0	111.5	L412 H415 L416 L443 H446 S465 D466 M471 A472	L412-Y468 HydrophobicContact CD2-CE2 3.87Å; L412-Y468 HydrophobicContact CG-CE2 3.98Å; L412-Y468 PolarHBondContact O-OH 2.98Å; H415-Y468 WeakPolarHBondContact CB-OH 3.34Å; H415-Y468 AromaticContact ND1-CE1 3.59Å; H415-Y468 AromaticContact ND1-CZ 3.55Å; H415-Y468 PolarHBondContact ND1-OH 3.33Å; L416-Y468 WeakPolarHBondContact CA-OH 3.41Å; L416-Y468 HydrophobicContact CB-CE1 4.27Å; L416-Y468 HydrophobicContact CB-CE2 4.24Å; L416-Y468 HydrophobicContact CD1-CD1 3.95Å; L416-Y468 HydrophobicContact CD1-CD2 4.39Å; L416-Y468 HydrophobicContact CD1-CE1 3.93Å; L416-Y468 HydrophobicContact CD1-CE2 4.36Å; L416-Y468 HydrophobicContact CD1-CG 4.17Å; L416-Y468 PolarHBondContact N-OH 3.43Å; L443-Y468 HydrophobicContact CD2-CD1 3.73Å; L443-Y468 HydrophobicContact CD2-CE1 4.38Å; L443-Y468 WeakPolarHBondContact O-CB 3.49Å; H446-Y468 HydrophobicContact CB-CD1 3.99Å; H446-Y468 HydrophobicContact CB-CD2 4.04Å; H446-Y468 HydrophobicContact CB-CE1 3.99Å; H446-Y468 HydrophobicContact CB-CE2 4.04Å; H446-Y468 HydrophobicContact CB-CG 4.03Å; S465-Y468 WeakPolarHBondContact O-CB 3.47Å; S465-Y468 PolarHBondContact O-N 3.41Å; D466-Y468 PolarHBondContact O-N 2.93Å; Y468-M471 PolarHBondContact O-N 2.86Å; Y468-A472 PolarHBondContact O-N 3.28Å
469	C	97.9	Very high	96.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-46	174.4	167.6	0	0	0	0	110.6	Y447 D466 M471 A472 A473 V495 F509	Y447-C469 HydrophobicContact CD1-CB 4.37Å; Y447-C469 HydrophobicContact CD2-CB 3.67Å; Y447-C469 HydrophobicContact CE2-CB 3.87Å; Y447-C469 HydrophobicContact CG-CB 3.94Å; D466-C469 WeakPolarHBondContact O-CB 3.15Å; D466-C469 PolarHBondContact O-N 2.97Å; D466-C469 VanDerWaalsContact O-N 3.13Å; C469-M471 VanDerWaalsContact C-N 3.34Å; C469-M471 PolarHBondContact O-N 2.91Å; C469-A472 PolarHBondContact O-N 2.9Å; C469-A473 PolarHBondContact O-N 2.91Å; C469-V495 HydrophobicContact CB-CG1 4.5Å; C469-V495 WeakPolarHBondContact SG-CG1 3.31Å; C469-V495 PolarHBondContact SG-O 3.13Å; C469-V495 VanDerWaalsContact SG-O 3.33Å; C469-F509 HydrophobicContact CB-CE1 4.1Å; C469-F509 HydrophobicContact CB-CZ 3.84Å
470	L	98.1	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-40.6	177.1	-170.5	57	0	0	0	112.4	D466 M467 A473 H474 Q508 F509 L512 W665	D466-L470 PolarHBondContact O-N 3.23Å; D466-L470 VanDerWaalsContact O-N 3.09Å; M467-L470 PolarHBondContact O-N 3.24Å; M467-L470 HydrophobicContact SD-CD2 4.11Å; L470-A473 WeakPolarHBondContact O-CB 3.34Å; L470-A473 PolarHBondContact O-N 3.4Å; L470-H474 PolarHBondContact O-CD2 3.24Å; L470-H474 VanDerWaalsContact O-CD2 3.28Å; L470-H474 PolarHBondContact O-N 3.05Å; L470-Q508 HydrophobicContact CD2-CB 3.77Å; L470-Q508 HydrophobicContact CD2-CG 4.3Å; L470-F509 HydrophobicContact CB-CE1 4.05Å; L470-F509 HydrophobicContact CD1-CD1 4.48Å; L470-L512 HydrophobicContact CD1-CD2 3.59Å; L470-W665 HydrophobicContact CB-CH2 4.34Å; L470-W665 HydrophobicContact CB-CZ3 4.47Å; L470-W665 HydrophobicContact CD2-CH2 3.79Å; L470-W665 HydrophobicContact CD2-CZ3 4.19Å; L470-W665 HydrophobicContact CG-CH2 4.15Å; L470-W665 HydrophobicContact CG-CZ3 4.13Å
471	M	98.1	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-41.8	175.3	-75.1	-173.6	66.1	0	0	112.4	L416 C419 Q420 Q428 L443 M467 Y468 C469 A473 H474 V475 W665	L416-M471 HydrophobicContact CD1-SD 4.1Å; C419-M471 HydrophobicContact CB-CE 3.59Å; C419-M471 HydrophobicContact CB-SD 3.81Å; Q420-M471 HydrophobicContact CG-SD 3.68Å; Q428-M471 VanDerWaalsContact NE2-CE 3.33Å; L443-M471 HydrophobicContact CD1-CB 3.96Å; L443-M471 HydrophobicContact CD2-CB 4.32Å; L443-M471 HydrophobicContact CD2-CE 4.39Å; M467-M471 WeakPolarHBondContact O-CB 3.45Å; M467-M471 WeakPolarHBondContact O-CG 3.26Å; M467-M471 PolarHBondContact O-N 2.98Å; Y468-M471 PolarHBondContact O-N 2.86Å; C469-M471 VanDerWaalsContact C-N 3.34Å; C469-M471 PolarHBondContact O-N 2.91Å; M471-A473 VanDerWaalsContact C-N 3.31Å; M471-A473 PolarHBondContact O-N 3.2Å; M471-H474 PolarHBondContact O-N 2.68Å; M471-V475 WeakPolarHBondContact O-CG2 3.39Å; M471-V475 PolarHBondContact O-N 3.39Å; M471-V475 VanDerWaalsContact O-N 3.07Å; M471-W665 HydrophobicContact CG-CE3 3.9Å; M471-W665 HydrophobicContact CG-CH2 4.16Å; M471-W665 HydrophobicContact CG-CZ3 3.52Å
472	A	98.1	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-43.2	175.4	0	0	0	0	0	110.9	L443 K444 Y468 C469 H474 V475 Y476	L443-A472 HydrophobicContact CB-CB 4.05Å; L443-A472 HydrophobicContact CD1-CB 4.35Å; K444-A472 HydrophobicContact CG-CB 4.38Å; Y468-A472 PolarHBondContact O-N 3.28Å; C469-A472 PolarHBondContact O-N 2.9Å; A472-H474 VanDerWaalsContact C-N 3.34Å; A472-H474 PolarHBondContact O-N 3.47Å; A472-V475 PolarHBondContact O-N 3.38Å; A472-Y476 VanDerWaalsContact O-CD2 3.24Å; A472-Y476 WeakPolarHBondContact O-CD2 3.3Å; A472-Y476 PolarHBondContact O-N 2.98Å
473	A	98	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-43.3	174.4	0	0	0	0	0	112.3	C469 L470 M471 V475 Y476 V477 C492 L496 L512	C469-A473 PolarHBondContact O-N 2.91Å; L470-A473 WeakPolarHBondContact O-CB 3.34Å; L470-A473 PolarHBondContact O-N 3.4Å; M471-A473 VanDerWaalsContact C-N 3.31Å; M471-A473 PolarHBondContact O-N 3.2Å; A473-V475 PolarHBondContact O-N 3.18Å; A473-Y476 PolarHBondContact O-N 3.47Å; A473-V477 WeakPolarHBondContact O-CG2 3.34Å; A473-V477 PolarHBondContact O-N 3.42Å; A473-C492 PolarHBondContact O-SG 3Å; A473-L496 HydrophobicContact CB-CD1 4.07Å; A473-L496 HydrophobicContact CB-CD2 3.77Å; A473-L496 HydrophobicContact CB-CG 3.88Å; A473-L512 HydrophobicContact CB-CD2 3.91Å
474	H	97.8	Very high	96.4	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-41.1	175.8	-69.2	-172.6	0	0	0	112.5	L470 M471 A472 Y476 V477 D478 V663 W665	L470-H474 PolarHBondContact O-CD2 3.24Å; L470-H474 VanDerWaalsContact O-CD2 3.28Å; L470-H474 PolarHBondContact O-N 3.05Å; M471-H474 PolarHBondContact O-N 2.68Å; A472-H474 VanDerWaalsContact C-N 3.34Å; A472-H474 PolarHBondContact O-N 3.47Å; H474-Y476 VanDerWaalsContact C-N 3.34Å; H474-Y476 PolarHBondContact O-N 3.04Å; H474-V477 WeakPolarHBondContact O-CB 3.4Å; H474-V477 PolarHBondContact O-N 2.91Å; H474-D478 VanDerWaalsContact O-CG 3.23Å; H474-D478 PolarHBondContact O-N 3.46Å; H474-V663 PolarHBondContact CE1-O 3.36Å; H474-V663 VanDerWaalsContact CE1-O 3.23Å; H474-W665 AromaticContact CE1-CZ3 3.96Å; H474-W665 AromaticContact ND1-CE3 3.97Å
475	V	98.1	Very high	96.1	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-35.1	177.7	-176.9	0	0	0	0	111.4	K436 L439 I440 L443 M471 A472 A473 D478 L479	K436-V475 HydrophobicContact CB-CG1 3.82Å; K436-V475 HydrophobicContact CD-CG1 4.48Å; K436-V475 HydrophobicContact CG-CG1 4.12Å; L439-V475 HydrophobicContact CD2-CG2 3.98Å; I440-V475 HydrophobicContact CD1-CB 4.15Å; I440-V475 HydrophobicContact CD1-CG1 3.75Å; I440-V475 HydrophobicContact CG1-CB 3.83Å; I440-V475 HydrophobicContact CG1-CG1 3.69Å; L443-V475 HydrophobicContact CD1-CG2 4.4Å; M471-V475 WeakPolarHBondContact O-CG2 3.39Å; M471-V475 PolarHBondContact O-N 3.39Å; M471-V475 VanDerWaalsContact O-N 3.07Å; A472-V475 PolarHBondContact O-N 3.38Å; A473-V475 PolarHBondContact O-N 3.18Å; V475-D478 PolarHBondContact O-N 3.23Å; V475-L479 PolarHBondContact O-N 3.2Å
476	Y	97.4	Very high	95.8	Very high	13 Å²	13	26.1 Å²	26.1	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-42.1	170.3	-80.5	-62.6	0	0	0	112.3	I440 A472 A473 H474 D478 L479 W480 M488 Q491 C492 V495	I440-Y476 HydrophobicContact CD1-CD1 3.67Å; I440-Y476 HydrophobicContact CD1-CD2 4.32Å; I440-Y476 HydrophobicContact CD1-CE1 3.77Å; I440-Y476 HydrophobicContact CD1-CE2 4.42Å; I440-Y476 HydrophobicContact CD1-CG 3.96Å; I440-Y476 HydrophobicContact CG2-CD2 4.38Å; I440-Y476 HydrophobicContact CG2-CE1 4.02Å; I440-Y476 HydrophobicContact CG2-CE2 3.57Å; I440-Y476 VanDerWaalsContact CG2-OH 3.3Å; I440-Y476 WeakPolarHBondContact CG2-OH 3.3Å; A472-Y476 VanDerWaalsContact O-CD2 3.24Å; A472-Y476 WeakPolarHBondContact O-CD2 3.3Å; A472-Y476 PolarHBondContact O-N 2.98Å; A473-Y476 PolarHBondContact O-N 3.47Å; H474-Y476 VanDerWaalsContact C-N 3.34Å; H474-Y476 PolarHBondContact O-N 3.04Å; Y476-D478 VanDerWaalsContact C-N 3.34Å; Y476-L479 PolarHBondContact O-N 2.71Å; Y476-W480 WeakPolarHBondContact O-CB 3.49Å; Y476-W480 PolarHBondContact O-N 3.48Å; Y476-M488 HydrophobicContact CD1-CB 4.27Å; Y476-M488 HydrophobicContact CD1-SD 3.96Å; Y476-M488 HydrophobicContact CE1-SD 4.2Å; Y476-Q491 HydrophobicContact CD1-CB 4.14Å; Y476-Q491 HydrophobicContact CE1-CB 3.62Å; Y476-Q491 HydrophobicContact CE1-CG 4.43Å; Y476-Q491 HydrophobicContact CE2-CB 4.37Å; Y476-C492 HydrophobicContact CD2-CB 4.32Å; Y476-C492 HydrophobicContact CG-CB 4.22Å; Y476-V495 HydrophobicContact CE2-CG2 4.22Å
477	V	96.9	Very high	95.4	Very high	6 Å²	6	28 Å²	28	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-40.9	175.8	170.6	0	0	0	0	111	A473 H474 W480 T481 L516 F754	A473-V477 WeakPolarHBondContact O-CG2 3.34Å; A473-V477 PolarHBondContact O-N 3.42Å; H474-V477 WeakPolarHBondContact O-CB 3.4Å; H474-V477 PolarHBondContact O-N 2.91Å; V477-W480 HydrophobicContact CG1-CE3 4.36Å; V477-W480 PolarHBondContact O-N 3.4Å; V477-T481 WeakPolarHBondContact O-CB 3.47Å; V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 2.98Å; V477-L516 HydrophobicContact CG2-CD2 3.87Å; V477-F754 HydrophobicContact CG1-CB 4.39Å; V477-F754 HydrophobicContact CG1-CD1 3.62Å; V477-F754 HydrophobicContact CG1-CD2 4.07Å; V477-F754 HydrophobicContact CG1-CE1 3.87Å; V477-F754 HydrophobicContact CG1-CE2 4.29Å; V477-F754 HydrophobicContact CG1-CG 3.74Å; V477-F754 HydrophobicContact CG1-CZ 4.22Å; V477-F754 HydrophobicContact CG2-CE1 4.21Å; V477-F754 HydrophobicContact CG2-CZ 4.45Å
478	D	96	Very high	95.1	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-49	174.8	-64.6	-33.6	0	0	0	110.6	R423 H429 H474 V475 Y476 W480 T481 E482	R423-D478 IonicContact CZ-OD2 2.81Å; R423-D478 VanDerWaalsContact CZ-OD2 3.32Å; R423-D478 IonicContact NH1-OD2 2.78Å; R423-D478 PolarHBondContact NH1-OD2 3.38Å; R423-D478 IonicContact NH2-OD1 3.45Å; R423-D478 PolarHBondContact NH2-OD1 3.43Å; R423-D478 IonicContact NH2-OD2 3.49Å; R423-D478 PolarHBondContact NH2-OD2 2.95Å; H429-D478 IonicContact CD2-OD2 3.52Å; H429-D478 IonicContact NE2-OD2 3.36Å; H474-D478 VanDerWaalsContact O-CG 3.23Å; H474-D478 PolarHBondContact O-N 3.46Å; V475-D478 PolarHBondContact O-N 3.23Å; Y476-D478 VanDerWaalsContact C-N 3.34Å; D478-W480 PolarHBondContact O-N 3.07Å; D478-T481 PolarHBondContact O-N 3.4Å; D478-E482 WeakPolarHBondContact O-CB 3.12Å; D478-E482 VanDerWaalsContact O-CG 3.3Å; D478-E482 WeakPolarHBondContact O-CG 3.25Å; D478-E482 PolarHBondContact O-N 2.77Å
479	L	96.3	Very high	94.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-44.9	177.4	-80.1	175.4	0	0	0	112.5	T433 K436 L437 I440 V475 Y476 T481 E482 T483 M488	T433-L479 HydrophobicContact CG2-CD2 4.03Å; K436-L479 HydrophobicContact CB-CD1 3.99Å; K436-L479 HydrophobicContact CB-CD2 3.86Å; K436-L479 HydrophobicContact CB-CG 3.96Å; K436-L479 HydrophobicContact CD-CD2 3.72Å; K436-L479 HydrophobicContact CD-CG 4.01Å; K436-L479 HydrophobicContact CG-CD2 4.4Å; L437-L479 HydrophobicContact CD2-CD1 3.87Å; L437-L479 HydrophobicContact CG-CD1 4.16Å; I440-L479 HydrophobicContact CD1-CD1 3.67Å; V475-L479 PolarHBondContact O-N 3.2Å; Y476-L479 PolarHBondContact O-N 2.71Å; L479-T481 VanDerWaalsContact C-N 3.35Å; L479-E482 PolarHBondContact O-N 3.38Å; L479-T483 WeakPolarHBondContact O-CB 3.34Å; L479-T483 WeakPolarHBondContact O-CG2 3.43Å; L479-T483 PolarHBondContact O-N 3.17Å; L479-T483 PolarHBondContact O-OG1 3.45Å; L479-M488 HydrophobicContact CB-CB 4.46Å; L479-M488 HydrophobicContact CB-CG 3.96Å; L479-M488 HydrophobicContact CB-SD 4.31Å; L479-M488 HydrophobicContact CD1-SD 3.95Å
480	W	95.3	Very high	94.6	Very high	56 Å²	56	26.9 Å²	26.9	21%	0.212	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-45.6	175.8	166.9	58.3	0	0	0	111.5	Y476 V477 D478 E482 G484 M488 L489 F754	Y476-W480 WeakPolarHBondContact O-CB 3.49Å; Y476-W480 PolarHBondContact O-N 3.48Å; V477-W480 HydrophobicContact CG1-CE3 4.36Å; V477-W480 PolarHBondContact O-N 3.4Å; D478-W480 PolarHBondContact O-N 3.07Å; W480-E482 VanDerWaalsContact C-N 3.31Å; W480-E482 PolarHBondContact O-N 2.83Å; W480-G484 VanDerWaalsContact O-CA 3.25Å; W480-G484 WeakPolarHBondContact O-CA 3.18Å; W480-G484 PolarHBondContact O-N 2.77Å; W480-M488 HydrophobicContact CB-CB 4.03Å; W480-L489 HydrophobicContact CD2-CD2 4.26Å; W480-L489 HydrophobicContact CG-CB 4.3Å; W480-L489 HydrophobicContact CH2-CD2 4.43Å; W480-L489 HydrophobicContact CZ2-CD2 3.99Å; W480-F754 HydrophobicContact CH2-CE2 4.35Å; W480-F754 AromaticContact CZ3-CD2 3.99Å; W480-F754 HydrophobicContact CZ3-CD2 3.99Å; W480-F754 AromaticContact CZ3-CE2 3.67Å; W480-F754 HydrophobicContact CZ3-CE2 3.67Å
481	T	93.4	Very high	94.4	Very high	92 Å²	92	27.1 Å²	27.1	56%	0.564	15%	0.154	S	C	*	.	H	α-helix	trans	-65.6	-35.3	-178.5	-53.1	0	0	0	0	111.9	V477 D478 L479	V477-T481 WeakPolarHBondContact O-CB 3.47Å; V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 2.98Å; D478-T481 PolarHBondContact O-N 3.4Å; L479-T481 VanDerWaalsContact C-N 3.35Å
482	E	93.6	Very high	94.3	Very high	95 Å²	95	27.1 Å²	27.1	44%	0.444	15%	0.154	S	C	.	.	H	α-helix	trans	-82.5	-35.6	-179.1	-71	170	-170.2	0	0	113.7	K436 D478 L479 W480	K436-E482 IonicContact NZ-OE1 3.66Å; K436-E482 PolarHBondContact NZ-OE1 3.23Å; K436-E482 IonicContact NZ-OE2 3.24Å; K436-E482 PolarHBondContact NZ-OE2 3.15Å; D478-E482 WeakPolarHBondContact O-CB 3.12Å; D478-E482 VanDerWaalsContact O-CG 3.3Å; D478-E482 WeakPolarHBondContact O-CG 3.25Å; D478-E482 PolarHBondContact O-N 2.77Å; L479-E482 PolarHBondContact O-N 3.38Å; W480-E482 VanDerWaalsContact C-N 3.31Å; W480-E482 PolarHBondContact O-N 2.83Å
483	T	93.3	Very high	94.2	Very high	71 Å²	71	27.1 Å²	27.1	44%	0.436	15%	0.154	S	C	.	.	H	α-helix	trans	-102.1	-22.3	-173.4	65.1	0	0	0	0	113.8	L479 D485	L479-T483 WeakPolarHBondContact O-CB 3.34Å; L479-T483 WeakPolarHBondContact O-CG2 3.43Å; L479-T483 PolarHBondContact O-N 3.17Å; L479-T483 PolarHBondContact O-OG1 3.45Å; T483-D485 PolarHBondContact O-N 2.92Å; T483-D485 PolarHBondContact OG1-N 3.01Å
484	G	90.3	Very high	94	Very high	54 Å²	54	27.1 Å²	27.1	56%	0.557	15%	0.154	S	C	*	.			trans	72.4	6.8	-169.5	0	0	0	0	0	114.4	W480 E486	W480-G484 VanDerWaalsContact O-CA 3.25Å; W480-G484 WeakPolarHBondContact O-CA 3.18Å; W480-G484 PolarHBondContact O-N 2.77Å; G484-E486 PolarHBondContact O-N 3.45Å
485	D	89.8	Confident	93.9	Very high	45 Å²	45	27 Å²	27	24%	0.241	15%	0.154	C	C	.	.			trans	-77.6	102.2	-179.5	-171.1	3.7	0	0	0	111.5	T483 N487 M488 R831	T483-D485 PolarHBondContact O-N 2.92Å; T483-D485 PolarHBondContact OG1-N 3.01Å; D485-N487 PolarHBondContact O-N 3.32Å; D485-N487 VanDerWaalsContact O-N 3.11Å; D485-N487 VanDerWaalsContact OD1-CB 3.29Å; D485-N487 WeakPolarHBondContact OD1-CB 3.39Å; D485-N487 PolarHBondContact OD1-N 3.1Å; D485-M488 HydrophobicContact CB-CG 4.4Å; D485-M488 WeakPolarHBondContact O-CB 3.42Å; D485-M488 PolarHBondContact O-N 2.99Å; D485-M488 VanDerWaalsContact O-N 3.08Å; D485-R831 IonicContact OD1-NH1 3.7Å
486	E	89.6	Confident	93.9	Very high	41 Å²	41	27 Å²	27	19%	0.192	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-19.9	176.6	-76	-174.5	-125.1	0	0	113.2	G484 M488 L489 W490 T833 T834	G484-E486 PolarHBondContact O-N 3.45Å; E486-M488 PolarHBondContact O-N 3.39Å; E486-L489 WeakPolarHBondContact O-CB 3.14Å; E486-L489 PolarHBondContact O-N 2.92Å; E486-W490 PolarHBondContact O-N 3.17Å; E486-W490 VanDerWaalsContact O-N 3.13Å; E486-T833 WeakPolarHBondContact OE2-CA 3.44Å; E486-T834 PolarHBondContact OE2-N 3.35Å; E486-T834 PolarHBondContact OE2-OG1 3.35Å; E486-T834 VanDerWaalsContact OE2-OG1 3.11Å
487	N	88.8	Confident	93.9	Very high	42 Å²	42	27.4 Å²	27.4	23%	0.225	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-36.9	173.5	-171.8	43	0	0	0	112	D485 L489 W490 Q491	D485-N487 PolarHBondContact O-N 3.32Å; D485-N487 VanDerWaalsContact O-N 3.11Å; D485-N487 VanDerWaalsContact OD1-CB 3.29Å; D485-N487 WeakPolarHBondContact OD1-CB 3.39Å; D485-N487 PolarHBondContact OD1-N 3.1Å; N487-L489 PolarHBondContact O-N 3.33Å; N487-W490 PolarHBondContact O-N 3.33Å; N487-Q491 VanDerWaalsContact O-CG 3.29Å; N487-Q491 WeakPolarHBondContact O-CG 3.48Å; N487-Q491 PolarHBondContact O-N 3.12Å
488	M	92.7	Very high	93.8	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.064	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-34.6	176.8	-62.1	-60.4	101.2	0	0	111.8	L437 Y476 L479 W480 D485 E486 Q491 C492	L437-M488 HydrophobicContact CD2-SD 4.19Å; Y476-M488 HydrophobicContact CD1-CB 4.27Å; Y476-M488 HydrophobicContact CD1-SD 3.96Å; Y476-M488 HydrophobicContact CE1-SD 4.2Å; L479-M488 HydrophobicContact CB-CB 4.46Å; L479-M488 HydrophobicContact CB-CG 3.96Å; L479-M488 HydrophobicContact CB-SD 4.31Å; L479-M488 HydrophobicContact CD1-SD 3.95Å; W480-M488 HydrophobicContact CB-CB 4.03Å; D485-M488 HydrophobicContact CB-CG 4.4Å; D485-M488 WeakPolarHBondContact O-CB 3.42Å; D485-M488 PolarHBondContact O-N 2.99Å; D485-M488 VanDerWaalsContact O-N 3.08Å; E486-M488 PolarHBondContact O-N 3.39Å; M488-Q491 PolarHBondContact O-N 3.01Å; M488-C492 WeakPolarHBondContact O-CB 3.48Å; M488-C492 PolarHBondContact O-N 3.44Å
489	L	92.9	Very high	93.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-39.7	177.6	-176.4	53.2	0	0	0	111.8	W480 E486 N487 C492 L493 L516 L520	W480-L489 HydrophobicContact CD2-CD2 4.26Å; W480-L489 HydrophobicContact CG-CB 4.3Å; W480-L489 HydrophobicContact CH2-CD2 4.43Å; W480-L489 HydrophobicContact CZ2-CD2 3.99Å; E486-L489 WeakPolarHBondContact O-CB 3.14Å; E486-L489 PolarHBondContact O-N 2.92Å; N487-L489 PolarHBondContact O-N 3.33Å; L489-C492 WeakPolarHBondContact O-CB 3.48Å; L489-C492 PolarHBondContact O-N 3.07Å; L489-L493 PolarHBondContact O-N 3.19Å; L489-L516 HydrophobicContact CD1-CB 4.21Å; L489-L516 HydrophobicContact CD1-CD2 3.34Å; L489-L516 HydrophobicContact CD1-CG 4.21Å; L489-L520 HydrophobicContact CD2-CD1 4.28Å; L489-L520 HydrophobicContact CD2-CD2 3.36Å; L489-L520 HydrophobicContact CD2-CG 3.73Å; L489-L520 HydrophobicContact CG-CD1 4.21Å; L489-L520 HydrophobicContact CG-CD2 4.04Å; L489-L520 HydrophobicContact CG-CG 4.21Å
490	W	92.5	Very high	93.8	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-40.7	173	-65.2	122	0	0	0	112.7	E486 N487 L493 G494 L520 L832 T834 T940 M944 V947	E486-W490 PolarHBondContact O-N 3.17Å; E486-W490 VanDerWaalsContact O-N 3.13Å; N487-W490 PolarHBondContact O-N 3.33Å; W490-L493 HydrophobicContact CE3-CD1 4Å; W490-L493 HydrophobicContact CZ3-CD1 4.1Å; W490-L493 PolarHBondContact O-N 2.96Å; W490-G494 PolarHBondContact O-N 3Å; W490-L520 HydrophobicContact CE3-CD1 4.4Å; W490-L520 HydrophobicContact CH2-CD1 4.11Å; W490-L520 HydrophobicContact CZ2-CD2 4.46Å; W490-L520 HydrophobicContact CZ3-CD1 3.93Å; W490-L832 HydrophobicContact CH2-CD2 3.92Å; W490-L832 HydrophobicContact CZ2-CB 4.38Å; W490-L832 HydrophobicContact CZ2-CD2 3.6Å; W490-L832 HydrophobicContact CZ2-CG 3.95Å; W490-L832 PolarHBondContact NE1-O 3.12Å; W490-T834 HydrophobicContact CH2-CG2 4.05Å; W490-T834 HydrophobicContact CZ2-CG2 3.83Å; W490-T940 HydrophobicContact CB-CG2 4Å; W490-M944 HydrophobicContact CB-CE 3.79Å; W490-M944 HydrophobicContact CD2-CE 3.72Å; W490-M944 HydrophobicContact CD2-CG 3.96Å; W490-M944 HydrophobicContact CE3-CE 4.23Å; W490-M944 HydrophobicContact CE3-CG 3.54Å; W490-M944 HydrophobicContact CG-CE 3.49Å; W490-M944 VanDerWaalsContact CG-CE 3.49Å; W490-M944 HydrophobicContact CH2-CG 4.29Å; W490-M944 HydrophobicContact CZ3-CB 4.29Å; W490-M944 HydrophobicContact CZ3-CG 3.73Å; W490-V947 HydrophobicContact CH2-CB 3.99Å; W490-V947 HydrophobicContact CH2-CG1 3.99Å; W490-V947 HydrophobicContact CH2-CG2 3.89Å; W490-V947 HydrophobicContact CZ3-CB 4.22Å; W490-V947 HydrophobicContact CZ3-CG2 3.76Å
491	Q	92.8	Very high	93.8	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.023	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-38.8	175.1	-64.8	-58.2	-32.8	0	0	111.9	Y476 N487 M488 G494 V495	Y476-Q491 HydrophobicContact CD1-CB 4.14Å; Y476-Q491 HydrophobicContact CE1-CB 3.62Å; Y476-Q491 HydrophobicContact CE1-CG 4.43Å; Y476-Q491 HydrophobicContact CE2-CB 4.37Å; N487-Q491 VanDerWaalsContact O-CG 3.29Å; N487-Q491 WeakPolarHBondContact O-CG 3.48Å; N487-Q491 PolarHBondContact O-N 3.12Å; M488-Q491 PolarHBondContact O-N 3.01Å; Q491-G494 PolarHBondContact O-N 3.28Å; Q491-V495 PolarHBondContact O-N 2.83Å
492	C	96.2	Very high	93.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-47.8	173.2	-172.1	0	0	0	0	111.9	A473 Y476 M488 L489 G494 V495 L496	A473-C492 PolarHBondContact O-SG 3Å; Y476-C492 HydrophobicContact CD2-CB 4.32Å; Y476-C492 HydrophobicContact CG-CB 4.22Å; M488-C492 WeakPolarHBondContact O-CB 3.48Å; M488-C492 PolarHBondContact O-N 3.44Å; L489-C492 WeakPolarHBondContact O-CB 3.48Å; L489-C492 PolarHBondContact O-N 3.07Å; C492-G494 VanDerWaalsContact C-N 3.34Å; C492-G494 PolarHBondContact O-N 3.04Å; C492-V495 PolarHBondContact O-N 3.25Å; C492-L496 WeakPolarHBondContact O-CG 3.25Å; C492-L496 PolarHBondContact O-N 3.48Å
493	L	96.3	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-43.7	175.1	-72.9	-179.7	0	0	0	112.1	L489 W490 L496 E497 L513 L516 F517 L520 A943	L489-L493 PolarHBondContact O-N 3.19Å; W490-L493 HydrophobicContact CE3-CD1 4Å; W490-L493 HydrophobicContact CZ3-CD1 4.1Å; W490-L493 PolarHBondContact O-N 2.96Å; L493-L496 PolarHBondContact O-N 3.18Å; L493-E497 WeakPolarHBondContact O-CB 3.35Å; L493-E497 VanDerWaalsContact O-CG 3.26Å; L493-E497 WeakPolarHBondContact O-CG 3.49Å; L493-E497 PolarHBondContact O-N 2.98Å; L493-L513 HydrophobicContact CD2-CD2 3.64Å; L493-L516 HydrophobicContact CD2-CB 3.71Å; L493-L516 HydrophobicContact CD2-CD1 4.07Å; L493-F517 HydrophobicContact CD1-CD1 4.25Å; L493-F517 HydrophobicContact CD1-CE1 3.88Å; L493-F517 HydrophobicContact CD1-CZ 4.49Å; L493-F517 HydrophobicContact CD2-CD1 4.39Å; L493-F517 HydrophobicContact CD2-CE1 4.18Å; L493-F517 HydrophobicContact CD2-CE2 4.41Å; L493-F517 HydrophobicContact CD2-CZ 4.18Å; L493-L520 HydrophobicContact CD1-CD1 3.43Å; L493-L520 VanDerWaalsContact CD1-CD1 3.43Å; L493-L520 HydrophobicContact CG-CD1 4.46Å; L493-A943 HydrophobicContact CB-CB 3.89Å; L493-A943 HydrophobicContact CD1-CB 4.16Å
494	G	94.6	Very high	94.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-58.1	-49.1	177.9	0	0	0	0	0	112.7	W490 Q491 C492 L496 E497 E498 F939	W490-G494 PolarHBondContact O-N 3Å; Q491-G494 PolarHBondContact O-N 3.28Å; C492-G494 VanDerWaalsContact C-N 3.34Å; C492-G494 PolarHBondContact O-N 3.04Å; G494-L496 VanDerWaalsContact C-N 3.34Å; G494-L496 PolarHBondContact O-N 3.4Å; G494-E497 PolarHBondContact O-N 2.99Å; G494-E498 WeakPolarHBondContact O-CB 3.36Å; G494-E498 PolarHBondContact O-N 2.7Å; G494-F939 WeakPolarHBondContact O-CB 3.31Å
495	V	95.8	Very high	94.3	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-39.2	177.4	151.2	0	0	0	0	112.4	K444 C469 Y476 Q491 C492 G499	K444-V495 HydrophobicContact CD-CG2 4.05Å; K444-V495 HydrophobicContact CG-CG2 4.36Å; C469-V495 HydrophobicContact CB-CG1 4.5Å; C469-V495 WeakPolarHBondContact SG-CG1 3.31Å; C469-V495 PolarHBondContact SG-O 3.13Å; C469-V495 VanDerWaalsContact SG-O 3.33Å; Y476-V495 HydrophobicContact CE2-CG2 4.22Å; Q491-V495 PolarHBondContact O-N 2.83Å; C492-V495 PolarHBondContact O-N 3.25Å; V495-G499 PolarHBondContact O-N 3.43Å
496	L	97.8	Very high	94.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-74.6	-36.3	179.5	-71.3	171.2	0	0	0	112.9	A473 C492 L493 G494 G499 L500 F509 L512 L513 L516	A473-L496 HydrophobicContact CB-CD1 4.07Å; A473-L496 HydrophobicContact CB-CD2 3.77Å; A473-L496 HydrophobicContact CB-CG 3.88Å; C492-L496 WeakPolarHBondContact O-CG 3.25Å; C492-L496 PolarHBondContact O-N 3.48Å; L493-L496 PolarHBondContact O-N 3.18Å; G494-L496 VanDerWaalsContact C-N 3.34Å; G494-L496 PolarHBondContact O-N 3.4Å; L496-G499 PolarHBondContact O-N 3.09Å; L496-L500 WeakPolarHBondContact O-CB 3.44Å; L496-L500 PolarHBondContact O-N 3.16Å; L496-F509 HydrophobicContact CD2-CD1 3.69Å; L496-F509 HydrophobicContact CD2-CE1 4.25Å; L496-F509 HydrophobicContact CD2-CG 4.35Å; L496-L512 HydrophobicContact CD1-CB 4.26Å; L496-L512 HydrophobicContact CD1-CD2 3.78Å; L496-L512 HydrophobicContact CD1-CG 3.78Å; L496-L512 HydrophobicContact CD2-CD2 4.19Å; L496-L513 HydrophobicContact CB-CD1 4.18Å; L496-L513 HydrophobicContact CB-CD2 3.53Å; L496-L513 HydrophobicContact CB-CG 3.71Å; L496-L513 HydrophobicContact CD1-CD2 4.12Å; L496-L513 HydrophobicContact CD1-CG 4.2Å; L496-L516 HydrophobicContact CD1-CD1 3.46Å; L496-L516 VanDerWaalsContact CD1-CD1 3.46Å
497	E	96.6	Very high	95.1	Very high	23 Å²	23	19.8 Å²	19.8	11%	0.107	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-41.6	173.7	-72.9	-82.3	-178.4	0	0	111.1	L493 G494 L500 S501 L513 F517 F939 K946	L493-E497 WeakPolarHBondContact O-CB 3.35Å; L493-E497 VanDerWaalsContact O-CG 3.26Å; L493-E497 WeakPolarHBondContact O-CG 3.49Å; L493-E497 PolarHBondContact O-N 2.98Å; G494-E497 PolarHBondContact O-N 2.99Å; E497-L500 PolarHBondContact O-N 3.39Å; E497-S501 PolarHBondContact O-N 2.89Å; E497-L513 HydrophobicContact CG-CD2 4.08Å; E497-F517 WeakPolarHBondContact OE1-CZ 3.4Å; E497-F939 HydrophobicContact CB-CB 4.26Å; E497-F939 HydrophobicContact CB-CD1 4.04Å; E497-F939 HydrophobicContact CB-CG 4.49Å; E497-K946 IonicContact OE1-NZ 2.63Å; E497-K946 PolarHBondContact OE1-NZ 2.85Å; E497-K946 IonicContact OE2-NZ 3.39Å; E497-K946 PolarHBondContact OE2-NZ 3.14Å
498	E	96	Very high	95.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-52	169.9	-178.9	-175.7	-153.6	0	0	110.2	H448 G494 L500 S501 F502 F939	H448-E498 IonicContact CD2-OE1 3.89Å; H448-E498 IonicContact CE1-OE1 2.69Å; H448-E498 IonicContact CE1-OE2 2.68Å; H448-E498 IonicContact NE2-OE1 3.33Å; H448-E498 PolarHBondContact NE2-OE1 2.92Å; H448-E498 IonicContact NE2-OE2 2.59Å; H448-E498 PolarHBondContact NE2-OE2 2.63Å; G494-E498 WeakPolarHBondContact O-CB 3.36Å; G494-E498 PolarHBondContact O-N 2.7Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.38Å; E498-S501 WeakPolarHBondContact O-CB 3.48Å; E498-S501 PolarHBondContact O-N 3.25Å; E498-S501 PolarHBondContact O-OG 3.04Å; E498-F502 HydrophobicContact CG-CD2 4.14Å; E498-F502 HydrophobicContact CG-CE2 3.8Å; E498-F502 VanDerWaalsContact O-CD2 3.31Å; E498-F502 WeakPolarHBondContact O-CD2 3.47Å; E498-F502 PolarHBondContact O-N 2.71Å; E498-F939 HydrophobicContact CB-CD2 3.62Å; E498-F939 HydrophobicContact CB-CE2 3.75Å; E498-F939 HydrophobicContact CB-CG 4.08Å; E498-F939 HydrophobicContact CB-CZ 4.32Å; E498-F939 HydrophobicContact CG-CD2 4.04Å; E498-F939 HydrophobicContact CG-CE2 3.76Å; E498-F939 HydrophobicContact CG-CZ 4.43Å
499	G	96	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.5	-46.7	176.7	0	0	0	0	0	113.2	Y447 V495 L496 S501 F502 S503	Y447-G499 WeakPolarHBondContact OH-CA 3.48Å; V495-G499 PolarHBondContact O-N 3.43Å; L496-G499 PolarHBondContact O-N 3.09Å; G499-S501 VanDerWaalsContact C-N 3.31Å; G499-S501 PolarHBondContact O-N 3.15Å; G499-F502 PolarHBondContact O-N 2.99Å; G499-S503 WeakPolarHBondContact O-CB 3.49Å; G499-S503 PolarHBondContact O-N 3.26Å
500	L	96.3	Very high	96	Very high	25 Å²	25	19.2 Å²	19.2	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-29	179.5	-170.4	65.1	0	0	0	112.6	L496 E497 E498 F502 S503 P504 F509 K510 L513 L529	L496-L500 WeakPolarHBondContact O-CB 3.44Å; L496-L500 PolarHBondContact O-N 3.16Å; E497-L500 PolarHBondContact O-N 3.39Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.38Å; L500-F502 VanDerWaalsContact C-N 3.33Å; L500-S503 CarbonylContact O-C 3.6Å; L500-S503 PolarHBondContact O-N 3.42Å; L500-P504 VanDerWaalsContact O-CA 3.22Å; L500-P504 WeakPolarHBondContact O-CA 3.36Å; L500-P504 VanDerWaalsContact O-N 3.13Å; L500-F509 HydrophobicContact CD1-CB 4.35Å; L500-K510 HydrophobicContact CD1-CD 4.43Å; L500-K510 HydrophobicContact CD1-CG 3.75Å; L500-K510 HydrophobicContact CD2-CG 4.35Å; L500-L513 HydrophobicContact CB-CD1 4.47Å; L500-L513 HydrophobicContact CD2-CD1 3.88Å; L500-L529 HydrophobicContact CD2-CD2 3.76Å
501	S	94.7	Very high	96.3	Very high	65 Å²	65	19.5 Å²	19.5	46%	0.455	12%	0.116	S	C	.	.	H	α-helix	trans	-66.3	-35.4	176	82.8	0	0	0	0	112.4	E497 E498 G499	E497-S501 PolarHBondContact O-N 2.89Å; E498-S501 WeakPolarHBondContact O-CB 3.48Å; E498-S501 PolarHBondContact O-N 3.25Å; E498-S501 PolarHBondContact O-OG 3.04Å; G499-S501 VanDerWaalsContact C-N 3.31Å; G499-S501 PolarHBondContact O-N 3.15Å
502	F	94.9	Very high	96.5	Very high	82 Å²	82	19.2 Å²	19.2	36%	0.36	12%	0.115	S	C	.	.	H	α-helix	trans	-85.3	-30	175.3	-66.9	-69.9	0	0	0	113.1	Y447 L451 E498 G499 L500	Y447-F502 WeakPolarHBondContact OH-CD2 3.02Å; L451-F502 HydrophobicContact CD1-CD1 4.28Å; L451-F502 HydrophobicContact CD1-CD2 3.95Å; L451-F502 HydrophobicContact CD1-CE1 4.34Å; L451-F502 HydrophobicContact CD1-CE2 4.02Å; L451-F502 HydrophobicContact CD1-CG 4.09Å; L451-F502 HydrophobicContact CD1-CZ 4.22Å; L451-F502 HydrophobicContact CD2-CB 4.16Å; L451-F502 HydrophobicContact CD2-CG 4.29Å; E498-F502 HydrophobicContact CG-CD2 4.14Å; E498-F502 HydrophobicContact CG-CE2 3.8Å; E498-F502 VanDerWaalsContact O-CD2 3.31Å; E498-F502 WeakPolarHBondContact O-CD2 3.47Å; E498-F502 PolarHBondContact O-N 2.71Å; G499-F502 PolarHBondContact O-N 2.99Å; L500-F502 VanDerWaalsContact C-N 3.33Å
503	S	96	Very high	96.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	12%	0.115	C	C	.	.			trans	-129	68.5	-176.3	-61.2	0	0	0	0	112	Q463 D466 G499 L500 S505 N506	Q463-S503 WeakPolarHBondContact CB-OG 3.4Å; Q463-S503 WeakPolarHBondContact CG-OG 3.41Å; D466-S503 WeakPolarHBondContact OD1-CB 3.33Å; D466-S503 PolarHBondContact OD1-OG 2.85Å; D466-S503 WeakPolarHBondContact OD2-CB 3.48Å; D466-S503 PolarHBondContact OD2-OG 3.36Å; G499-S503 WeakPolarHBondContact O-CB 3.49Å; G499-S503 PolarHBondContact O-N 3.26Å; L500-S503 CarbonylContact O-C 3.6Å; L500-S503 PolarHBondContact O-N 3.42Å; S503-S505 PolarHBondContact O-N 3.38Å; S503-N506 WeakPolarHBondContact O-CB 3.21Å; S503-N506 PolarHBondContact O-N 3.48Å
504	P	95.4	Very high	96.7	Very high	48 Å²	48	19.2 Å²	19.2	31%	0.312	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.4	-171.3	27	-36.4	0	0	0	114.4	K459 L500 K510	K459-P504 HydrophobicContact CB-CG 4.07Å; L500-P504 VanDerWaalsContact O-CA 3.22Å; L500-P504 WeakPolarHBondContact O-CA 3.36Å; L500-P504 VanDerWaalsContact O-N 3.13Å; P504-K510 WeakPolarHBondContact O-CE 3.49Å; P504-K510 PolarHBondContact O-NZ 3.25Å
505	S	95.4	Very high	96.8	Very high	52 Å²	52	19.6 Å²	19.6	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.2	175.5	-74.5	0	0	0	0	114	K459 T460 S503 A507	K459-S505 WeakPolarHBondContact O-CB 3.38Å; K459-S505 PolarHBondContact O-OG 3.33Å; T460-S505 WeakPolarHBondContact CA-OG 3.16Å; S503-S505 PolarHBondContact O-N 3.38Å; S505-A507 PolarHBondContact O-N 3.31Å; S505-A507 VanDerWaalsContact O-N 3.13Å
506	N	97.4	Very high	96.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	12%	0.115	C	C	.	.			trans	-72.1	107.7	-179.4	-165.6	-43.9	0	0	0	111.8	L462 D466 S503 Q508 F509 K510	L462-N506 HydrophobicContact CD2-CB 3.79Å; D466-N506 WeakPolarHBondContact CB-ND2 3.37Å; D466-N506 PolarHBondContact OD2-ND2 3.24Å; S503-N506 WeakPolarHBondContact O-CB 3.21Å; S503-N506 PolarHBondContact O-N 3.48Å; N506-Q508 VanDerWaalsContact C-N 3.34Å; N506-Q508 PolarHBondContact O-N 3.07Å; N506-Q508 WeakPolarHBondContact OD1-CB 3.3Å; N506-Q508 PolarHBondContact OD1-N 2.9Å; N506-F509 HydrophobicContact CB-CB 4.34Å; N506-F509 HydrophobicContact CB-CD2 3.59Å; N506-F509 HydrophobicContact CB-CE2 4.08Å; N506-F509 HydrophobicContact CB-CG 4.03Å; N506-F509 PolarHBondContact OD1-N 3.49Å; N506-K510 WeakPolarHBondContact O-CG 3.29Å; N506-K510 PolarHBondContact O-N 3.4Å
507	A	97.3	Very high	96.9	Very high	43 Å²	43	19.4 Å²	19.4	36%	0.355	12%	0.115	S	C	.	.	H	α-helix	trans	-67.6	-32.2	-179.4	0	0	0	0	0	113	S505 K510 L511 L533	S505-A507 PolarHBondContact O-N 3.31Å; S505-A507 VanDerWaalsContact O-N 3.13Å; A507-K510 PolarHBondContact O-N 3Å; A507-L511 WeakPolarHBondContact O-CB 3.5Å; A507-L511 WeakPolarHBondContact O-CG 3.12Å; A507-L511 PolarHBondContact O-N 3.41Å; A507-L533 HydrophobicContact CB-CD2 3.81Å
508	Q	97.8	Very high	96.9	Very high	30 Å²	30	18.5 Å²	18.5	14%	0.14	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-39.5	-178.3	-64.1	-61.5	-43.5	0	0	111.5	L470 N506 L511 L512 V661 V663	L470-Q508 HydrophobicContact CD2-CB 3.77Å; L470-Q508 HydrophobicContact CD2-CG 4.3Å; N506-Q508 VanDerWaalsContact C-N 3.34Å; N506-Q508 PolarHBondContact O-N 3.07Å; N506-Q508 WeakPolarHBondContact OD1-CB 3.3Å; N506-Q508 PolarHBondContact OD1-N 2.9Å; Q508-L511 PolarHBondContact O-N 3.15Å; Q508-L512 WeakPolarHBondContact O-CB 3.07Å; Q508-L512 PolarHBondContact O-N 3.16Å; Q508-V661 PolarHBondContact NE2-O 3.42Å; Q508-V663 HydrophobicContact CG-CG2 4.04Å
509	F	98.3	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-46.9	172	-64.5	-18.6	0	0	0	111.6	D466 C469 L470 L496 L500 N506 L512 L513	D466-F509 HydrophobicContact CB-CE2 4.24Å; D466-F509 HydrophobicContact CB-CZ 3.78Å; D466-F509 WeakPolarHBondContact O-CZ 3.43Å; C469-F509 HydrophobicContact CB-CE1 4.1Å; C469-F509 HydrophobicContact CB-CZ 3.84Å; L470-F509 HydrophobicContact CB-CE1 4.05Å; L470-F509 HydrophobicContact CD1-CD1 4.48Å; L496-F509 HydrophobicContact CD2-CD1 3.69Å; L496-F509 HydrophobicContact CD2-CE1 4.25Å; L496-F509 HydrophobicContact CD2-CG 4.35Å; L500-F509 HydrophobicContact CD1-CB 4.35Å; N506-F509 HydrophobicContact CB-CB 4.34Å; N506-F509 HydrophobicContact CB-CD2 3.59Å; N506-F509 HydrophobicContact CB-CE2 4.08Å; N506-F509 HydrophobicContact CB-CG 4.03Å; N506-F509 PolarHBondContact OD1-N 3.49Å; F509-L512 PolarHBondContact O-N 3.3Å; F509-L513 VanDerWaalsContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CB 3.19Å; F509-L513 VanDerWaalsContact O-CG 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.34Å; F509-L513 PolarHBondContact O-N 2.89Å
510	K	98.2	Very high	96.7	Very high	15 Å²	15	21.9 Å²	21.9	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-45.3	179	-67.9	171.4	179.5	-178.7	0	112.5	L500 P504 N506 A507 L514 L529 S532 L533	L500-K510 HydrophobicContact CD1-CD 4.43Å; L500-K510 HydrophobicContact CD1-CG 3.75Å; L500-K510 HydrophobicContact CD2-CG 4.35Å; P504-K510 WeakPolarHBondContact O-CE 3.49Å; P504-K510 PolarHBondContact O-NZ 3.25Å; N506-K510 WeakPolarHBondContact O-CG 3.29Å; N506-K510 PolarHBondContact O-N 3.4Å; A507-K510 PolarHBondContact O-N 3Å; K510-L514 WeakPolarHBondContact O-CB 3.49Å; K510-L514 PolarHBondContact O-N 3.21Å; K510-L529 HydrophobicContact CB-CD2 4.45Å; K510-L529 HydrophobicContact CG-CD2 4.21Å; K510-S532 VanDerWaalsContact CD-OG 3.3Å; K510-S532 WeakPolarHBondContact CD-OG 3.47Å; K510-S532 WeakPolarHBondContact CE-OG 3.4Å; K510-S532 PolarHBondContact NZ-O 2.86Å; K510-S532 PolarHBondContact NZ-OG 3.45Å; K510-S532 VanDerWaalsContact NZ-OG 3.14Å; K510-L533 HydrophobicContact CB-CD1 4.44Å; K510-L533 HydrophobicContact CB-CD2 3.83Å; K510-L533 HydrophobicContact CB-CG 4.09Å; K510-L533 HydrophobicContact CD-CD2 3.6Å; K510-L533 HydrophobicContact CD-CG 3.95Å; K510-L533 HydrophobicContact CG-CD2 4.37Å
511	L	98	Very high	96.7	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-41.6	179.6	-71.8	168.3	0	0	0	111.7	A507 Q508 L514 L515 L533 L546 V661 L662	A507-L511 WeakPolarHBondContact O-CB 3.5Å; A507-L511 WeakPolarHBondContact O-CG 3.12Å; A507-L511 PolarHBondContact O-N 3.41Å; Q508-L511 PolarHBondContact O-N 3.15Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.62Å; L511-L515 PolarHBondContact O-N 3.08Å; L511-L533 HydrophobicContact CD2-CD1 3.76Å; L511-L533 HydrophobicContact CG-CD1 4.17Å; L511-L546 HydrophobicContact CD2-CD1 3.74Å; L511-V661 HydrophobicContact CD1-CG1 4.32Å; L511-V661 HydrophobicContact CD1-CG2 3.76Å; L511-L662 HydrophobicContact CB-CD2 3.72Å; L511-L662 HydrophobicContact CB-CG 4.44Å
512	L	98.1	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.2	-43.4	178.4	-174.6	57.2	0	0	0	111.6	L470 A473 L496 Q508 F509 L514 L515 L516 L662 F754 L755	L470-L512 HydrophobicContact CD1-CD2 3.59Å; A473-L512 HydrophobicContact CB-CD2 3.91Å; L496-L512 HydrophobicContact CD1-CB 4.26Å; L496-L512 HydrophobicContact CD1-CD2 3.78Å; L496-L512 HydrophobicContact CD1-CG 3.78Å; L496-L512 HydrophobicContact CD2-CD2 4.19Å; Q508-L512 WeakPolarHBondContact O-CB 3.07Å; Q508-L512 PolarHBondContact O-N 3.16Å; F509-L512 PolarHBondContact O-N 3.3Å; L512-L514 VanDerWaalsContact C-N 3.3Å; L512-L514 PolarHBondContact O-N 2.87Å; L512-L515 PolarHBondContact O-N 3.41Å; L512-L516 HydrophobicContact CD1-CD1 4.25Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 HydrophobicContact CG-CG 4.34Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.38Å; L512-L662 HydrophobicContact CB-CD2 4.25Å; L512-F754 HydrophobicContact CD1-CE1 3.89Å; L512-L755 HydrophobicContact CD1-CD2 4.05Å
513	L	98.3	Very high	96.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.2	-45.8	171.7	-79.3	169.6	0	0	0	111.3	L493 L496 E497 L500 F509 L515 L516 F517 L529	L493-L513 HydrophobicContact CD2-CD2 3.64Å; L496-L513 HydrophobicContact CB-CD1 4.18Å; L496-L513 HydrophobicContact CB-CD2 3.53Å; L496-L513 HydrophobicContact CB-CG 3.71Å; L496-L513 HydrophobicContact CD1-CD2 4.12Å; L496-L513 HydrophobicContact CD1-CG 4.2Å; E497-L513 HydrophobicContact CG-CD2 4.08Å; L500-L513 HydrophobicContact CB-CD1 4.47Å; L500-L513 HydrophobicContact CD2-CD1 3.88Å; F509-L513 VanDerWaalsContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CB 3.19Å; F509-L513 VanDerWaalsContact O-CG 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.34Å; F509-L513 PolarHBondContact O-N 2.89Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L513-L515 PolarHBondContact O-N 3.03Å; L513-L516 PolarHBondContact O-N 3.22Å; L513-F517 HydrophobicContact CB-CD2 4.33Å; L513-F517 HydrophobicContact CB-CE2 4.27Å; L513-F517 HydrophobicContact CD2-CE2 4.14Å; L513-F517 WeakPolarHBondContact O-CB 3.41Å; L513-F517 WeakPolarHBondContact O-CD2 3.43Å; L513-F517 WeakPolarHBondContact O-CG 3.39Å; L513-F517 PolarHBondContact O-N 2.99Å; L513-L529 HydrophobicContact CB-CD1 3.68Å; L513-L529 HydrophobicContact CD1-CD2 4.2Å
514	L	97.5	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.1	-50.9	176.3	-179.5	156.8	0	0	0	110.7	K510 L511 L512 F517 C518 V526 Y530 L546	K510-L514 WeakPolarHBondContact O-CB 3.49Å; K510-L514 PolarHBondContact O-N 3.21Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.62Å; L512-L514 VanDerWaalsContact C-N 3.3Å; L512-L514 PolarHBondContact O-N 2.87Å; L514-F517 PolarHBondContact O-N 3.12Å; L514-C518 WeakPolarHBondContact O-CB 3.49Å; L514-C518 PolarHBondContact O-N 3.28Å; L514-C518 PolarHBondContact O-SG 3.06Å; L514-C518 VanDerWaalsContact O-SG 3.35Å; L514-V526 HydrophobicContact CD1-CG1 3.65Å; L514-V526 HydrophobicContact CD2-CG1 4.2Å; L514-V526 HydrophobicContact CG-CB 4.24Å; L514-V526 HydrophobicContact CG-CG1 3.5Å; L514-V526 HydrophobicContact CG-CG2 4.11Å; L514-Y530 HydrophobicContact CD1-CD2 3.98Å; L514-L546 HydrophobicContact CD2-CB 3.9Å; L514-L546 HydrophobicContact CD2-CD2 4.45Å
515	L	96.7	Very high	96.9	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-46.5	179.9	-178.9	61.4	0	0	0	111.5	L511 L512 L513 C518 R519 L662 F754 L755	L511-L515 PolarHBondContact O-N 3.08Å; L512-L515 PolarHBondContact O-N 3.41Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L513-L515 PolarHBondContact O-N 3.03Å; L515-C518 WeakPolarHBondContact O-CB 3.37Å; L515-C518 PolarHBondContact O-N 3.42Å; L515-R519 HydrophobicContact CD1-CG 4.46Å; L515-R519 VanDerWaalsContact O-CG 3.24Å; L515-R519 WeakPolarHBondContact O-CG 3.46Å; L515-R519 PolarHBondContact O-N 3.16Å; L515-L662 HydrophobicContact CD2-CD1 3.88Å; L515-F754 HydrophobicContact CD2-CD1 4.21Å; L515-F754 HydrophobicContact CD2-CE1 3.61Å; L515-F754 HydrophobicContact CD2-CZ 3.78Å; L515-F754 HydrophobicContact CG-CE1 4.33Å; L515-F754 HydrophobicContact CG-CZ 4.01Å; L515-L755 HydrophobicContact CD2-CD2 4.36Å
516	L	97.3	Very high	97	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-179.5	-64.8	166.5	0	0	0	111.8	V477 L489 L493 L496 L512 L513 R519 L520 F754	V477-L516 HydrophobicContact CG2-CD2 3.87Å; L489-L516 HydrophobicContact CD1-CB 4.21Å; L489-L516 HydrophobicContact CD1-CD2 3.34Å; L489-L516 HydrophobicContact CD1-CG 4.21Å; L493-L516 HydrophobicContact CD2-CB 3.71Å; L493-L516 HydrophobicContact CD2-CD1 4.07Å; L496-L516 HydrophobicContact CD1-CD1 3.46Å; L496-L516 VanDerWaalsContact CD1-CD1 3.46Å; L512-L516 HydrophobicContact CD1-CD1 4.25Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 HydrophobicContact CG-CG 4.34Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.38Å; L513-L516 PolarHBondContact O-N 3.22Å; L516-R519 PolarHBondContact O-N 3.44Å; L516-L520 WeakPolarHBondContact O-CG 3.16Å; L516-L520 PolarHBondContact O-N 2.95Å; L516-F754 HydrophobicContact CD2-CE1 4.21Å; L516-F754 HydrophobicContact CD2-CE2 4.4Å; L516-F754 HydrophobicContact CD2-CZ 3.53Å; L516-F754 HydrophobicContact CG-CZ 4.4Å
517	F	98.1	Very high	96.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.9	-45.2	173.8	-78.2	-53.4	0	0	0	111.5	L493 E497 L513 L514 R519 L520 G521 A522 P525 V526 L529 K946 V947	L493-F517 HydrophobicContact CD1-CD1 4.25Å; L493-F517 HydrophobicContact CD1-CE1 3.88Å; L493-F517 HydrophobicContact CD1-CZ 4.49Å; L493-F517 HydrophobicContact CD2-CD1 4.39Å; L493-F517 HydrophobicContact CD2-CE1 4.18Å; L493-F517 HydrophobicContact CD2-CE2 4.41Å; L493-F517 HydrophobicContact CD2-CZ 4.18Å; E497-F517 WeakPolarHBondContact OE1-CZ 3.4Å; L513-F517 HydrophobicContact CB-CD2 4.33Å; L513-F517 HydrophobicContact CB-CE2 4.27Å; L513-F517 HydrophobicContact CD2-CE2 4.14Å; L513-F517 WeakPolarHBondContact O-CB 3.41Å; L513-F517 WeakPolarHBondContact O-CD2 3.43Å; L513-F517 WeakPolarHBondContact O-CG 3.39Å; L513-F517 PolarHBondContact O-N 2.99Å; L514-F517 PolarHBondContact O-N 3.12Å; F517-R519 VanDerWaalsContact C-N 3.3Å; F517-R519 PolarHBondContact O-N 3.24Å; F517-L520 CarbonylContact O-C 3.52Å; F517-L520 PolarHBondContact O-N 3.44Å; F517-L520 VanDerWaalsContact O-N 3.14Å; F517-G521 PolarHBondContact O-N 3Å; F517-G521 VanDerWaalsContact O-N 3.12Å; F517-A522 CarbonylContact C-O 3.53Å; F517-A522 HydrophobicContact CB-CB 4.41Å; F517-A522 WeakPolarHBondContact CB-O 3.4Å; F517-A522 HydrophobicContact CD1-CB 4.25Å; F517-A522 PolarHBondContact O-N 2.97Å; F517-P525 HydrophobicContact CD1-CG 4.43Å; F517-P525 HydrophobicContact CD2-CB 3.95Å; F517-P525 HydrophobicContact CE1-CG 4.46Å; F517-P525 HydrophobicContact CE2-CB 3.95Å; F517-P525 HydrophobicContact CG-CB 4.31Å; F517-P525 HydrophobicContact CZ-CB 4.28Å; F517-V526 HydrophobicContact CB-CG2 3.85Å; F517-L529 HydrophobicContact CD2-CD1 3.82Å; F517-L529 HydrophobicContact CE2-CD1 3.97Å; F517-K946 HydrophobicContact CE1-CB 4.49Å; F517-K946 HydrophobicContact CZ-CD 4.18Å; F517-V947 HydrophobicContact CD1-CG2 3.93Å; F517-V947 HydrophobicContact CE1-CG2 4Å
518	C	96.4	Very high	96.7	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.034	9%	0.093	C	C	.	.	H	α-helix	trans	-59.2	-39.5	174.3	-74.8	0	0	0	0	112.3	L514 L515 L520 G521 A522 Y550	L514-C518 WeakPolarHBondContact O-CB 3.49Å; L514-C518 PolarHBondContact O-N 3.28Å; L514-C518 PolarHBondContact O-SG 3.06Å; L514-C518 VanDerWaalsContact O-SG 3.35Å; L515-C518 WeakPolarHBondContact O-CB 3.37Å; L515-C518 PolarHBondContact O-N 3.42Å; C518-L520 VanDerWaalsContact C-N 3.33Å; C518-G521 PolarHBondContact O-N 2.7Å; C518-G521 VanDerWaalsContact O-N 3.11Å; C518-A522 PolarHBondContact N-O 2.66Å; C518-Y550 HydrophobicContact CB-CD1 3.83Å; C518-Y550 HydrophobicContact CB-CD2 3.91Å; C518-Y550 HydrophobicContact CB-CE1 3.94Å; C518-Y550 HydrophobicContact CB-CE2 4.02Å; C518-Y550 HydrophobicContact CB-CG 3.8Å; C518-Y550 VanDerWaalsContact SG-CD2 3.56Å; C518-Y550 VanDerWaalsContact SG-CG 3.57Å
519	R	93.4	Very high	96.7	Very high	73 Å²	73	18.1 Å²	18.1	28%	0.275	9%	0.09	S	C	.	.	H	α-helix	trans	-67.3	-32	176.7	-67.5	-68.9	-176.9	-156.4	2	112.7	L515 L516 F517 G521 F754	L515-R519 HydrophobicContact CD1-CG 4.46Å; L515-R519 VanDerWaalsContact O-CG 3.24Å; L515-R519 WeakPolarHBondContact O-CG 3.46Å; L515-R519 PolarHBondContact O-N 3.16Å; L516-R519 PolarHBondContact O-N 3.44Å; F517-R519 VanDerWaalsContact C-N 3.3Å; F517-R519 PolarHBondContact O-N 3.24Å; R519-G521 VanDerWaalsContact C-N 3.26Å; R519-F754 HydrophobicContact CG-CE2 4.08Å
520	L	95.3	Very high	96.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.6	171.7	-71.1	172.6	0	0	0	113.6	L489 W490 L493 L516 F517 C518 A522 T834 V947 Y951	L489-L520 HydrophobicContact CD2-CD1 4.28Å; L489-L520 HydrophobicContact CD2-CD2 3.36Å; L489-L520 HydrophobicContact CD2-CG 3.73Å; L489-L520 HydrophobicContact CG-CD1 4.21Å; L489-L520 HydrophobicContact CG-CD2 4.04Å; L489-L520 HydrophobicContact CG-CG 4.21Å; W490-L520 HydrophobicContact CE3-CD1 4.4Å; W490-L520 HydrophobicContact CH2-CD1 4.11Å; W490-L520 HydrophobicContact CZ2-CD2 4.46Å; W490-L520 HydrophobicContact CZ3-CD1 3.93Å; L493-L520 HydrophobicContact CD1-CD1 3.43Å; L493-L520 VanDerWaalsContact CD1-CD1 3.43Å; L493-L520 HydrophobicContact CG-CD1 4.46Å; L516-L520 WeakPolarHBondContact O-CG 3.16Å; L516-L520 PolarHBondContact O-N 2.95Å; F517-L520 CarbonylContact O-C 3.52Å; F517-L520 PolarHBondContact O-N 3.44Å; F517-L520 VanDerWaalsContact O-N 3.14Å; C518-L520 VanDerWaalsContact C-N 3.33Å; L520-A522 VanDerWaalsContact C-N 3.32Å; L520-A522 PolarHBondContact O-N 3.03Å; L520-T834 HydrophobicContact CB-CG2 4.48Å; L520-T834 HydrophobicContact CD2-CG2 3.97Å; L520-T834 VanDerWaalsContact CD2-OG1 3.25Å; L520-T834 WeakPolarHBondContact CD2-OG1 3.43Å; L520-V947 HydrophobicContact CD1-CG2 4.17Å; L520-Y951 VanDerWaalsContact O-CE2 3.24Å; L520-Y951 WeakPolarHBondContact O-CE2 3.33Å; L520-Y951 PolarHBondContact O-OH 2.94Å
521	G	95.6	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	11	-178.5	0	0	0	0	0	115.6	F517 C518 R519	F517-G521 PolarHBondContact O-N 3Å; F517-G521 VanDerWaalsContact O-N 3.12Å; C518-G521 PolarHBondContact O-N 2.7Å; C518-G521 VanDerWaalsContact O-N 3.11Å; R519-G521 VanDerWaalsContact C-N 3.26Å
522	A	96.7	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.			trans	-99.1	126.7	176.3	0	0	0	0	0	111.1	F517 C518 L520 V947 S950	F517-A522 CarbonylContact C-O 3.53Å; F517-A522 HydrophobicContact CB-CB 4.41Å; F517-A522 WeakPolarHBondContact CB-O 3.4Å; F517-A522 HydrophobicContact CD1-CB 4.25Å; F517-A522 PolarHBondContact O-N 2.97Å; C518-A522 PolarHBondContact N-O 2.66Å; L520-A522 VanDerWaalsContact C-N 3.32Å; L520-A522 PolarHBondContact O-N 3.03Å; A522-V947 HydrophobicContact CB-CB 4.2Å; A522-V947 HydrophobicContact CB-CG1 4.2Å; A522-V947 HydrophobicContact CB-CG2 3.84Å; A522-S950 WeakPolarHBondContact CA-OG 3.23Å
523	F	97.5	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	-123.7	-19	-176.6	-169.2	-93.6	0	0	0	114	V526 V527 L547 A551 L554 Q556 A559 S950	F523-V526 HydrophobicContact CD2-CB 4.02Å; F523-V526 HydrophobicContact CD2-CG1 3.92Å; F523-V526 HydrophobicContact CD2-CG2 4.3Å; F523-V526 HydrophobicContact CE2-CB 4.16Å; F523-V526 HydrophobicContact CE2-CG1 3.56Å; F523-V526 HydrophobicContact CG-CB 4.41Å; F523-V526 HydrophobicContact CZ-CG1 4.02Å; F523-V526 VanDerWaalsContact O-CB 3.26Å; F523-V526 WeakPolarHBondContact O-CB 3.3Å; F523-V526 PolarHBondContact O-N 2.9Å; F523-V526 VanDerWaalsContact O-N 3.12Å; F523-V527 HydrophobicContact CD1-CG2 4.13Å; F523-V527 HydrophobicContact CE1-CG2 3.76Å; F523-V527 PolarHBondContact O-N 2.86Å; F523-L547 HydrophobicContact CE2-CD2 4.26Å; F523-L547 HydrophobicContact CZ-CB 4.31Å; F523-L547 HydrophobicContact CZ-CD2 3.83Å; F523-A551 HydrophobicContact CD1-CB 4.03Å; F523-A551 HydrophobicContact CE1-CB 3.33Å; F523-A551 HydrophobicContact CE2-CB 4.01Å; F523-A551 HydrophobicContact CZ-CB 3.33Å; F523-L554 HydrophobicContact CB-CB 4.3Å; F523-L554 HydrophobicContact CB-CD1 3.91Å; F523-L554 HydrophobicContact CD2-CD1 4.39Å; F523-Q556 HydrophobicContact CB-CG 4.05Å; F523-Q556 HydrophobicContact CD1-CB 3.95Å; F523-Q556 HydrophobicContact CD1-CG 4.11Å; F523-A559 HydrophobicContact CD1-CB 4.17Å; F523-A559 HydrophobicContact CE1-CB 3.78Å; F523-S950 PolarHBondContact N-OG 3.14Å
524	Q	95.4	Very high	95.9	Very high	92 Å²	92	30.1 Å²	30.1	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-59.4	-44.1	176.4	-170.9	178	-10.8	0	0	113	V526 V527 S950	Q524-V526 PolarHBondContact O-N 3.43Å; Q524-V527 PolarHBondContact O-N 2.93Å; Q524-S950 PolarHBondContact N-OG 3.47Å
525	P	96.8	Very high	95.7	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.078	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-26.7	175.8	-21	34.7	0	0	0	113.4	F517 V527 D528 L529 K946	F517-P525 HydrophobicContact CD1-CG 4.43Å; F517-P525 HydrophobicContact CD2-CB 3.95Å; F517-P525 HydrophobicContact CE1-CG 4.46Å; F517-P525 HydrophobicContact CE2-CB 3.95Å; F517-P525 HydrophobicContact CG-CB 4.31Å; F517-P525 HydrophobicContact CZ-CB 4.28Å; P525-V527 VanDerWaalsContact C-N 3.31Å; P525-V527 PolarHBondContact O-N 3.21Å; P525-D528 PolarHBondContact O-N 3.19Å; P525-L529 WeakPolarHBondContact O-CG 2.83Å; P525-L529 PolarHBondContact O-N 3.18Å; P525-K946 HydrophobicContact CB-CD 4.34Å; P525-K946 HydrophobicContact CG-CB 3.78Å; P525-K946 HydrophobicContact CG-CD 4.33Å; P525-K946 HydrophobicContact CG-CG 4.34Å
526	V	97.6	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-37.5	-179.5	165.8	0	0	0	0	111.1	L514 F517 F523 Q524 D528 L529 Y530 L547	L514-V526 HydrophobicContact CD1-CG1 3.65Å; L514-V526 HydrophobicContact CD2-CG1 4.2Å; L514-V526 HydrophobicContact CG-CB 4.24Å; L514-V526 HydrophobicContact CG-CG1 3.5Å; L514-V526 HydrophobicContact CG-CG2 4.11Å; F517-V526 HydrophobicContact CB-CG2 3.85Å; F523-V526 HydrophobicContact CD2-CB 4.02Å; F523-V526 HydrophobicContact CD2-CG1 3.92Å; F523-V526 HydrophobicContact CD2-CG2 4.3Å; F523-V526 HydrophobicContact CE2-CB 4.16Å; F523-V526 HydrophobicContact CE2-CG1 3.56Å; F523-V526 HydrophobicContact CG-CB 4.41Å; F523-V526 HydrophobicContact CZ-CG1 4.02Å; F523-V526 VanDerWaalsContact O-CB 3.26Å; F523-V526 WeakPolarHBondContact O-CB 3.3Å; F523-V526 PolarHBondContact O-N 2.9Å; F523-V526 VanDerWaalsContact O-N 3.12Å; Q524-V526 PolarHBondContact O-N 3.43Å; V526-D528 VanDerWaalsContact C-N 3.34Å; V526-D528 PolarHBondContact O-N 3.41Å; V526-L529 PolarHBondContact O-N 3.4Å; V526-Y530 VanDerWaalsContact O-CB 3.3Å; V526-Y530 WeakPolarHBondContact O-CB 3.48Å; V526-Y530 PolarHBondContact O-N 3.3Å; V526-L547 HydrophobicContact CG1-CD2 3.57Å
527	V	94.6	Very high	95.2	Very high	35 Å²	35	41.6 Å²	41.6	21%	0.212	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-43.7	178.8	179.1	0	0	0	0	111.1	F523 Q524 P525 S531 A559	F523-V527 HydrophobicContact CD1-CG2 4.13Å; F523-V527 HydrophobicContact CE1-CG2 3.76Å; F523-V527 PolarHBondContact O-N 2.86Å; Q524-V527 PolarHBondContact O-N 2.93Å; P525-V527 VanDerWaalsContact C-N 3.31Å; P525-V527 PolarHBondContact O-N 3.21Å; V527-S531 WeakPolarHBondContact O-CB 3.43Å; V527-S531 PolarHBondContact O-N 3.47Å; V527-S531 PolarHBondContact O-OG 3.49Å; V527-A559 HydrophobicContact CG2-CB 3.86Å
528	D	94.4	Very high	95.1	Very high	116 Å²	116	44.7 Å²	44.7	62%	0.62	24%	0.236	S	C	*	.	H	α-helix	trans	-69.2	-44.8	179	-67.8	-26.4	0	0	0	111.1	P525 V526 Y530 S531 S532	P525-D528 PolarHBondContact O-N 3.19Å; V526-D528 VanDerWaalsContact C-N 3.34Å; V526-D528 PolarHBondContact O-N 3.41Å; D528-Y530 PolarHBondContact O-N 3.02Å; D528-S531 PolarHBondContact O-N 3.16Å; D528-S532 WeakPolarHBondContact O-CB 3.24Å; D528-S532 PolarHBondContact O-N 3.31Å
529	L	97	Very high	95.1	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-48.7	176.6	-72.8	169.3	0	0	0	111.4	L500 K510 L513 F517 P525 V526 S532 L533	L500-L529 HydrophobicContact CD2-CD2 3.76Å; K510-L529 HydrophobicContact CB-CD2 4.45Å; K510-L529 HydrophobicContact CG-CD2 4.21Å; L513-L529 HydrophobicContact CB-CD1 3.68Å; L513-L529 HydrophobicContact CD1-CD2 4.2Å; F517-L529 HydrophobicContact CD2-CD1 3.82Å; F517-L529 HydrophobicContact CE2-CD1 3.97Å; P525-L529 WeakPolarHBondContact O-CG 2.83Å; P525-L529 PolarHBondContact O-N 3.18Å; V526-L529 PolarHBondContact O-N 3.4Å; L529-S532 PolarHBondContact O-N 2.7Å; L529-S532 PolarHBondContact O-OG 3.37Å; L529-L533 PolarHBondContact O-N 3.21Å; L529-L533 VanDerWaalsContact O-N 3.16Å
530	Y	95.8	Very high	95.2	Very high	13 Å²	13	46 Å²	46	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-39.9	180	-169.5	-82.1	0	0	0	112	L514 V526 D528 S532 L533 A535 I543 G544 L547	L514-Y530 HydrophobicContact CD1-CD2 3.98Å; V526-Y530 VanDerWaalsContact O-CB 3.3Å; V526-Y530 WeakPolarHBondContact O-CB 3.48Å; V526-Y530 PolarHBondContact O-N 3.3Å; D528-Y530 PolarHBondContact O-N 3.02Å; Y530-S532 VanDerWaalsContact C-N 3.26Å; Y530-S532 PolarHBondContact O-N 3.21Å; Y530-L533 WeakPolarHBondContact O-CB 3.47Å; Y530-L533 PolarHBondContact O-N 2.94Å; Y530-L533 VanDerWaalsContact O-N 3.09Å; Y530-A535 HydrophobicContact CD1-CB 4.49Å; Y530-A535 HydrophobicContact CE1-CB 3.64Å; Y530-A535 HydrophobicContact CE2-CB 4.48Å; Y530-A535 WeakPolarHBondContact OH-CB 3.43Å; Y530-I543 HydrophobicContact CE2-CD1 4.46Å; Y530-I543 HydrophobicContact CE2-CG1 4.49Å; Y530-G544 WeakPolarHBondContact OH-CA 3.35Å; Y530-L547 HydrophobicContact CD1-CD1 3.41Å; Y530-L547 VanDerWaalsContact CD1-CD1 3.41Å; Y530-L547 HydrophobicContact CD1-CD2 4.43Å; Y530-L547 HydrophobicContact CD1-CG 4.07Å; Y530-L547 HydrophobicContact CD2-CD1 3.98Å; Y530-L547 HydrophobicContact CD2-CD2 3.86Å; Y530-L547 HydrophobicContact CD2-CG 3.67Å; Y530-L547 HydrophobicContact CE1-CD1 3.6Å; Y530-L547 HydrophobicContact CE1-CG 4.29Å; Y530-L547 HydrophobicContact CE2-CD1 4.14Å; Y530-L547 HydrophobicContact CE2-CG 3.91Å; Y530-L547 HydrophobicContact CG-CD1 3.61Å; Y530-L547 HydrophobicContact CG-CD2 3.77Å; Y530-L547 HydrophobicContact CG-CG 3.75Å
531	S	94.1	Very high	95.3	Very high	72 Å²	72	46 Å²	46	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-35.8	175.5	-61.3	0	0	0	0	111.1	V527 D528 L533 D534	V527-S531 WeakPolarHBondContact O-CB 3.43Å; V527-S531 PolarHBondContact O-N 3.47Å; V527-S531 PolarHBondContact O-OG 3.49Å; D528-S531 PolarHBondContact O-N 3.16Å; S531-L533 VanDerWaalsContact C-N 3.29Å; S531-L533 PolarHBondContact O-N 2.86Å; S531-D534 PolarHBondContact O-N 3.15Å; S531-D534 VanDerWaalsContact O-N 3.15Å
532	S	95	Very high	95.4	Very high	57 Å²	57	47.6 Å²	47.6	40%	0.399	26%	0.255	S	S	.	.	H	α-helix	trans	-72.5	-15.8	174.4	86.4	0	0	0	0	114.5	K510 D528 L529 Y530	K510-S532 VanDerWaalsContact CD-OG 3.3Å; K510-S532 WeakPolarHBondContact CD-OG 3.47Å; K510-S532 WeakPolarHBondContact CE-OG 3.4Å; K510-S532 PolarHBondContact NZ-O 2.86Å; K510-S532 PolarHBondContact NZ-OG 3.45Å; K510-S532 VanDerWaalsContact NZ-OG 3.14Å; D528-S532 WeakPolarHBondContact O-CB 3.24Å; D528-S532 PolarHBondContact O-N 3.31Å; L529-S532 PolarHBondContact O-N 2.7Å; L529-S532 PolarHBondContact O-OG 3.37Å; Y530-S532 VanDerWaalsContact C-N 3.26Å; Y530-S532 PolarHBondContact O-N 3.21Å
533	L	94.4	Very high	95.4	Very high	37 Å²	37	48.1 Å²	48.1	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-74.6	-18.1	169.7	-72.9	170.2	0	0	0	111.7	A507 K510 L511 L529 Y530 S531 A535	A507-L533 HydrophobicContact CB-CD2 3.81Å; K510-L533 HydrophobicContact CB-CD1 4.44Å; K510-L533 HydrophobicContact CB-CD2 3.83Å; K510-L533 HydrophobicContact CB-CG 4.09Å; K510-L533 HydrophobicContact CD-CD2 3.6Å; K510-L533 HydrophobicContact CD-CG 3.95Å; K510-L533 HydrophobicContact CG-CD2 4.37Å; L511-L533 HydrophobicContact CD2-CD1 3.76Å; L511-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 PolarHBondContact O-N 3.21Å; L529-L533 VanDerWaalsContact O-N 3.16Å; Y530-L533 WeakPolarHBondContact O-CB 3.47Å; Y530-L533 PolarHBondContact O-N 2.94Å; Y530-L533 VanDerWaalsContact O-N 3.09Å; S531-L533 VanDerWaalsContact C-N 3.29Å; S531-L533 PolarHBondContact O-N 2.86Å; L533-A535 VanDerWaalsContact C-N 3.27Å; L533-A535 PolarHBondContact O-N 3.37Å
534	D	93.8	Very high	95.3	Very high	95 Å²	95	48.2 Å²	48.2	51%	0.508	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	42.4	-178.4	-165	31	0	0	0	112.5	S531 K536	S531-D534 PolarHBondContact O-N 3.15Å; S531-D534 VanDerWaalsContact O-N 3.15Å; D534-K536 VanDerWaalsContact CG-CE 3.45Å; D534-K536 WeakPolarHBondContact O-CG 3.36Å; D534-K536 PolarHBondContact O-N 3.44Å; D534-K536 WeakPolarHBondContact OD1-CE 3.34Å; D534-K536 IonicContact OD1-NZ 2.69Å; D534-K536 PolarHBondContact OD1-NZ 3.16Å; D534-K536 WeakPolarHBondContact OD2-CE 3.34Å; D534-K536 IonicContact OD2-NZ 3.7Å; D534-K536 PolarHBondContact OD2-NZ 3.04Å
535	A	93.4	Very high	95.3	Very high	13 Å²	13	44.4 Å²	44.4	11%	0.107	24%	0.24	C	C	.	.			trans	-63.4	125	-179.2	0	0	0	0	0	111.4	Y530 L533 Q539 H540 I543	Y530-A535 HydrophobicContact CD1-CB 4.49Å; Y530-A535 HydrophobicContact CE1-CB 3.64Å; Y530-A535 HydrophobicContact CE2-CB 4.48Å; Y530-A535 WeakPolarHBondContact OH-CB 3.43Å; L533-A535 VanDerWaalsContact C-N 3.27Å; L533-A535 PolarHBondContact O-N 3.37Å; A535-Q539 HydrophobicContact CB-CB 4.18Å; A535-H540 PolarHBondContact O-CE1 3.41Å; A535-H540 VanDerWaalsContact O-CE1 3.25Å; A535-H540 PolarHBondContact O-NE2 3.13Å; A535-I543 HydrophobicContact CB-CD1 4.01Å
536	K	93.3	Very high	95.2	Very high	99 Å²	99	44.3 Å²	44.3	43%	0.43	24%	0.239	S	C	.	.			trans	-132.2	153.3	-173.2	-73.8	170.6	-176.8	155.6	0	113.2	D534 V538 Q539	D534-K536 VanDerWaalsContact CG-CE 3.45Å; D534-K536 WeakPolarHBondContact O-CG 3.36Å; D534-K536 PolarHBondContact O-N 3.44Å; D534-K536 WeakPolarHBondContact OD1-CE 3.34Å; D534-K536 IonicContact OD1-NZ 2.69Å; D534-K536 PolarHBondContact OD1-NZ 3.16Å; D534-K536 WeakPolarHBondContact OD2-CE 3.34Å; D534-K536 IonicContact OD2-NZ 3.7Å; D534-K536 PolarHBondContact OD2-NZ 3.04Å; K536-V538 PolarHBondContact O-N 3Å; K536-Q539 VanDerWaalsContact O-CB 3.29Å; K536-Q539 WeakPolarHBondContact O-CB 3.46Å; K536-Q539 WeakPolarHBondContact O-CG 3.32Å; K536-Q539 PolarHBondContact O-N 3.4Å; K536-Q539 PolarHBondContact O-OE1 3.12Å
537	H	91.9	Very high	95.1	Very high	139 Å²	139	44.9 Å²	44.9	64%	0.644	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	-120.4	170.1	-54.2	-60.4	0	0	0	112	Q539 H540 F570	H537-Q539 PolarHBondContact O-N 2.97Å; H537-H540 WeakPolarHBondContact O-CB 3.3Å; H537-H540 PolarHBondContact O-CD2 3.45Å; H537-H540 VanDerWaalsContact O-CD2 3.32Å; H537-H540 PolarHBondContact O-N 3.3Å; H537-F570 HydrophobicContact CB-CD2 4.37Å; H537-F570 HydrophobicContact CB-CE2 4.31Å; H537-F570 VanDerWaalsContact O-CD2 3.31Å; H537-F570 WeakPolarHBondContact O-CD2 3.43Å; H537-F570 WeakPolarHBondContact O-CE2 3.32Å; H537-F570 WeakPolarHBondContact O-CG 3.44Å
538	V	95.3	Very high	95.2	Very high	65 Å²	65	44.6 Å²	44.6	39%	0.394	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.5	-177.5	71.6	0	0	0	0	113.3	K536 H540 D541 T542 F570	K536-V538 PolarHBondContact O-N 3Å; V538-H540 PolarHBondContact O-N 3.47Å; V538-D541 WeakPolarHBondContact O-CB 3.25Å; V538-D541 PolarHBondContact O-N 2.94Å; V538-T542 HydrophobicContact CG2-CG2 4.4Å; V538-T542 PolarHBondContact O-N 3.42Å; V538-T542 VanDerWaalsContact O-N 3.16Å; V538-F570 HydrophobicContact CB-CZ 4.48Å
539	Q	96.6	Very high	95.2	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.36	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-24.8	176.2	-63.7	177.3	-57.1	0	0	112.5	A535 K536 H537 D541 T542 I543 G544	A535-Q539 HydrophobicContact CB-CB 4.18Å; K536-Q539 VanDerWaalsContact O-CB 3.29Å; K536-Q539 WeakPolarHBondContact O-CB 3.46Å; K536-Q539 WeakPolarHBondContact O-CG 3.32Å; K536-Q539 PolarHBondContact O-N 3.4Å; K536-Q539 PolarHBondContact O-OE1 3.12Å; H537-Q539 PolarHBondContact O-N 2.97Å; Q539-D541 PolarHBondContact O-N 3.34Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.31Å; Q539-T542 PolarHBondContact O-N 2.94Å; Q539-I543 HydrophobicContact CB-CD1 4.18Å; Q539-I543 HydrophobicContact CB-CG1 3.96Å; Q539-I543 WeakPolarHBondContact O-CG1 3.44Å; Q539-I543 PolarHBondContact O-N 2.78Å; Q539-G544 PolarHBondContact O-N 2.89Å; Q539-G544 VanDerWaalsContact O-N 3.12Å
540	H	95.8	Very high	95.1	Very high	27 Å²	27	40.7 Å²	40.7	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-24.1	172.5	-64.3	-57	0	0	0	112.9	A535 H537 V538 G544 F570 H609	A535-H540 PolarHBondContact O-CE1 3.41Å; A535-H540 VanDerWaalsContact O-CE1 3.25Å; A535-H540 PolarHBondContact O-NE2 3.13Å; H537-H540 WeakPolarHBondContact O-CB 3.3Å; H537-H540 PolarHBondContact O-CD2 3.45Å; H537-H540 VanDerWaalsContact O-CD2 3.32Å; H537-H540 PolarHBondContact O-N 3.3Å; V538-H540 PolarHBondContact O-N 3.47Å; H540-G544 WeakPolarHBondContact O-CA 3.23Å; H540-F570 HydrophobicContact CB-CB 4.18Å; H540-F570 HydrophobicContact CB-CD1 4.08Å; H540-F570 HydrophobicContact CB-CG 4.23Å; H540-H609 PolarHBondContact O-CD2 3.48Å; H540-H609 PolarHBondContact O-NE2 2.89Å
541	D	97.1	Very high	95.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-86.9	-37.8	173.1	-166.5	35.8	0	0	0	111.7	V538 Q539 F570 F571 L604 S607 N656	V538-D541 WeakPolarHBondContact O-CB 3.25Å; V538-D541 PolarHBondContact O-N 2.94Å; Q539-D541 PolarHBondContact O-N 3.34Å; D541-F570 HydrophobicContact CB-CE1 4.03Å; D541-F571 HydrophobicContact CB-CE1 4.1Å; D541-F571 HydrophobicContact CB-CZ 3.91Å; D541-F571 VanDerWaalsContact OD1-CZ 3.23Å; D541-F571 WeakPolarHBondContact OD1-CZ 3.4Å; D541-L604 HydrophobicContact CB-CD2 4.31Å; D541-L604 WeakPolarHBondContact OD2-CD2 3.49Å; D541-S607 WeakPolarHBondContact OD1-CB 3.48Å; D541-S607 PolarHBondContact OD1-OG 2.96Å; D541-N656 WeakPolarHBondContact OD2-CB 3.41Å; D541-N656 PolarHBondContact OD2-ND2 2.65Å
542	T	97.3	Very high	95.2	Very high	34 Å²	34	37.4 Å²	37.4	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-86.1	-37.8	-173.1	64.9	0	0	0	0	114.1	V538 Q539 Y545 R657 D658	V538-T542 HydrophobicContact CG2-CG2 4.4Å; V538-T542 PolarHBondContact O-N 3.42Å; V538-T542 VanDerWaalsContact O-N 3.16Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.31Å; Q539-T542 PolarHBondContact O-N 2.94Å; T542-Y545 VanDerWaalsContact O-CD1 3.29Å; T542-Y545 WeakPolarHBondContact O-CD1 3.38Å; T542-Y545 WeakPolarHBondContact O-CE1 3.42Å; T542-R657 WeakPolarHBondContact O-CA 3.48Å; T542-D658 PolarHBondContact O-N 2.61Å
543	I	96.8	Very high	95.2	Very high	11 Å²	11	35 Å²	35	6%	0.056	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-7.2	-178.1	62.4	166.8	0	0	0	113.7	Y530 A535 Q539 Y545 L546 D658 V661	Y530-I543 HydrophobicContact CE2-CD1 4.46Å; Y530-I543 HydrophobicContact CE2-CG1 4.49Å; A535-I543 HydrophobicContact CB-CD1 4.01Å; Q539-I543 HydrophobicContact CB-CD1 4.18Å; Q539-I543 HydrophobicContact CB-CG1 3.96Å; Q539-I543 WeakPolarHBondContact O-CG1 3.44Å; Q539-I543 PolarHBondContact O-N 2.78Å; I543-Y545 PolarHBondContact O-N 3.15Å; I543-Y545 VanDerWaalsContact O-N 3.16Å; I543-L546 HydrophobicContact CB-CD1 4.31Å; I543-L546 VanDerWaalsContact O-CB 3.31Å; I543-L546 WeakPolarHBondContact O-CB 3.43Å; I543-L546 WeakPolarHBondContact O-CG 3.26Å; I543-L546 PolarHBondContact O-N 3.19Å; I543-L546 VanDerWaalsContact O-N 3.08Å; I543-D658 HydrophobicContact CG2-CB 4.38Å; I543-V661 HydrophobicContact CG2-CB 4.35Å; I543-V661 HydrophobicContact CG2-CG1 4.28Å; I543-V661 HydrophobicContact CG2-CG2 4.14Å
544	G	96	Very high	95.3	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.2	177.9	0	0	0	0	0	114.1	Y530 Q539 H540 L546 L547 T548	Y530-G544 WeakPolarHBondContact OH-CA 3.35Å; Q539-G544 PolarHBondContact O-N 2.89Å; Q539-G544 VanDerWaalsContact O-N 3.12Å; H540-G544 WeakPolarHBondContact O-CA 3.23Å; G544-L546 PolarHBondContact O-N 3.09Å; G544-L546 VanDerWaalsContact O-N 3.16Å; G544-L547 PolarHBondContact O-N 2.67Å; G544-T548 PolarHBondContact O-N 3.42Å
545	Y	95.6	Very high	95.4	Very high	12 Å²	12	29 Å²	29	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-27.2	174.4	78.6	-88.5	0	0	0	113	T542 I543 L547 T548 R549 H609 R657 D658 L659 P758	T542-Y545 VanDerWaalsContact O-CD1 3.29Å; T542-Y545 WeakPolarHBondContact O-CD1 3.38Å; T542-Y545 WeakPolarHBondContact O-CE1 3.42Å; I543-Y545 PolarHBondContact O-N 3.15Å; I543-Y545 VanDerWaalsContact O-N 3.16Å; Y545-L547 PolarHBondContact O-N 3.4Å; Y545-T548 PolarHBondContact O-N 3.48Å; Y545-R549 WeakPolarHBondContact O-CB 3.22Å; Y545-R549 PolarHBondContact O-N 2.71Å; Y545-H609 PolarHBondContact N-CE1 3.08Å; Y545-R657 HydrophobicContact CD1-CB 3.85Å; Y545-R657 HydrophobicContact CD1-CG 3.71Å; Y545-R657 HydrophobicContact CE1-CB 3.89Å; Y545-R657 HydrophobicContact CE1-CG 4.27Å; Y545-R657 HydrophobicContact CG-CB 4.46Å; Y545-R657 HydrophobicContact CG-CG 3.96Å; Y545-D658 PolarHBondContact OH-O 3.07Å; Y545-D658 VanDerWaalsContact OH-O 3.08Å; Y545-L659 HydrophobicContact CE2-CD2 4.45Å; Y545-P758 HydrophobicContact CD2-CG 4.29Å; Y545-P758 HydrophobicContact CE2-CG 4.08Å
546	L	94.3	Very high	95.6	Very high	10 Å²	10	29 Å²	29	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-22.5	176.5	-65.3	175.1	0	0	0	113	L511 L514 I543 G544 Y550	L511-L546 HydrophobicContact CD2-CD1 3.74Å; L514-L546 HydrophobicContact CD2-CB 3.9Å; L514-L546 HydrophobicContact CD2-CD2 4.45Å; I543-L546 HydrophobicContact CB-CD1 4.31Å; I543-L546 VanDerWaalsContact O-CB 3.31Å; I543-L546 WeakPolarHBondContact O-CB 3.43Å; I543-L546 WeakPolarHBondContact O-CG 3.26Å; I543-L546 PolarHBondContact O-N 3.19Å; I543-L546 VanDerWaalsContact O-N 3.08Å; G544-L546 PolarHBondContact O-N 3.09Å; G544-L546 VanDerWaalsContact O-N 3.16Å; L546-Y550 WeakPolarHBondContact O-CD2 3.38Å
547	L	95.5	Very high	95.7	Very high	12 Å²	12	25 Å²	25	6%	0.063	13%	0.129	C	C	.	.	H	α-helix	trans	-92.5	-54.6	171.6	-65.3	-174.8	0	0	0	111.5	F523 V526 Y530 G544 Y545 R549 Y550 A551	F523-L547 HydrophobicContact CE2-CD2 4.26Å; F523-L547 HydrophobicContact CZ-CB 4.31Å; F523-L547 HydrophobicContact CZ-CD2 3.83Å; V526-L547 HydrophobicContact CG1-CD2 3.57Å; Y530-L547 HydrophobicContact CD1-CD1 3.41Å; Y530-L547 VanDerWaalsContact CD1-CD1 3.41Å; Y530-L547 HydrophobicContact CD1-CD2 4.43Å; Y530-L547 HydrophobicContact CD1-CG 4.07Å; Y530-L547 HydrophobicContact CD2-CD1 3.98Å; Y530-L547 HydrophobicContact CD2-CD2 3.86Å; Y530-L547 HydrophobicContact CD2-CG 3.67Å; Y530-L547 HydrophobicContact CE1-CD1 3.6Å; Y530-L547 HydrophobicContact CE1-CG 4.29Å; Y530-L547 HydrophobicContact CE2-CD1 4.14Å; Y530-L547 HydrophobicContact CE2-CG 3.91Å; Y530-L547 HydrophobicContact CG-CD1 3.61Å; Y530-L547 HydrophobicContact CG-CD2 3.77Å; Y530-L547 HydrophobicContact CG-CG 3.75Å; G544-L547 PolarHBondContact O-N 2.67Å; Y545-L547 PolarHBondContact O-N 3.4Å; L547-R549 PolarHBondContact O-N 3.33Å; L547-Y550 PolarHBondContact O-N 3.02Å; L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.03Å
548	T	95.4	Very high	95.9	Very high	29 Å²	29	21.5 Å²	21.5	18%	0.178	12%	0.124	C	C	.	.	H	α-helix	trans	-68.4	-26.1	-167.9	67.1	0	0	0	0	112.4	G544 Y545 Y550 H609 V613	G544-T548 PolarHBondContact O-N 3.42Å; Y545-T548 PolarHBondContact O-N 3.48Å; T548-Y550 VanDerWaalsContact C-N 3.32Å; T548-H609 PolarHBondContact OG1-CE1 3.08Å; T548-V613 HydrophobicContact CG2-CG2 3.85Å
549	R	94.8	Very high	96	Very high	35 Å²	35	19 Å²	19	13%	0.132	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-36.4	174.4	176.2	60.9	-169.7	81.7	-1.5	111.9	Y545 L547 S553 P758 S759 S760 R761	Y545-R549 WeakPolarHBondContact O-CB 3.22Å; Y545-R549 PolarHBondContact O-N 2.71Å; L547-R549 PolarHBondContact O-N 3.33Å; R549-S553 PolarHBondContact O-OG 3.11Å; R549-P758 HydrophobicContact CG-CG 4.24Å; R549-S759 VanDerWaalsContact CZ-O 3.24Å; R549-S759 PolarHBondContact NE-O 3.16Å; R549-S759 PolarHBondContact NH2-O 2.99Å; R549-S760 PolarHBondContact NH2-O 2.89Å; R549-R761 VanDerWaalsContact CZ-CG 3.45Å
550	Y	96.1	Very high	96	Very high	13 Å²	13	15.6 Å²	15.6	5%	0.051	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-37.5	-166.4	-67.6	-72.7	0	0	0	114	C518 L546 L547 T548 G552 S553 L554 P758	C518-Y550 HydrophobicContact CB-CD1 3.83Å; C518-Y550 HydrophobicContact CB-CD2 3.91Å; C518-Y550 HydrophobicContact CB-CE1 3.94Å; C518-Y550 HydrophobicContact CB-CE2 4.02Å; C518-Y550 HydrophobicContact CB-CG 3.8Å; C518-Y550 VanDerWaalsContact SG-CD2 3.56Å; C518-Y550 VanDerWaalsContact SG-CG 3.57Å; L546-Y550 WeakPolarHBondContact O-CD2 3.38Å; L547-Y550 PolarHBondContact O-N 3.02Å; T548-Y550 VanDerWaalsContact C-N 3.32Å; Y550-G552 PolarHBondContact O-N 2.78Å; Y550-S553 VanDerWaalsContact CA-OG 3.29Å; Y550-S553 WeakPolarHBondContact CA-OG 3.44Å; Y550-S553 PolarHBondContact O-N 2.79Å; Y550-S553 VanDerWaalsContact O-N 3.09Å; Y550-S553 PolarHBondContact O-OG 3.19Å; Y550-L554 WeakPolarHBondContact O-CB 3.49Å; Y550-L554 WeakPolarHBondContact O-CG 3.5Å; Y550-L554 PolarHBondContact O-N 3.47Å; Y550-P758 HydrophobicContact CE2-CB 4.44Å; Y550-P758 WeakPolarHBondContact OH-CB 3.11Å
551	A	95.4	Very high	96	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-56.6	-171.8	0	0	0	0	0	113.2	F523 L547 Q556 A560	F523-A551 HydrophobicContact CD1-CB 4.03Å; F523-A551 HydrophobicContact CE1-CB 3.33Å; F523-A551 HydrophobicContact CE2-CB 4.01Å; F523-A551 HydrophobicContact CZ-CB 3.33Å; L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.03Å; A551-Q556 PolarHBondContact O-N 3.1Å; A551-A560 VanDerWaalsContact CB-CA 3.46Å; A551-A560 HydrophobicContact CB-CB 3.59Å
552	G	95	Very high	95.9	Very high	16 Å²	16	20 Å²	20	17%	0.165	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-39	179.3	0	0	0	0	0	112.4	Y550 L554 G555 V843	Y550-G552 PolarHBondContact O-N 2.78Å; G552-L554 PolarHBondContact O-N 2.83Å; G552-G555 PolarHBondContact O-N 3.06Å; G552-G555 VanDerWaalsContact O-N 3.1Å; G552-V843 WeakPolarHBondContact O-CG1 3.1Å
553	S	95.6	Very high	95.8	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.035	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.3	-178.9	70.1	0	0	0	0	114.1	R549 Y550 V843	R549-S553 PolarHBondContact O-OG 3.11Å; Y550-S553 VanDerWaalsContact CA-OG 3.29Å; Y550-S553 WeakPolarHBondContact CA-OG 3.44Å; Y550-S553 PolarHBondContact O-N 2.79Å; Y550-S553 VanDerWaalsContact O-N 3.09Å; Y550-S553 PolarHBondContact O-OG 3.19Å; S553-V843 WeakPolarHBondContact O-CG2 3.4Å
554	L	97.1	Very high	95.8	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.042	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	14.1	178.4	-62.5	176.7	0	0	0	112.2	F523 Y550 G552 Q556 L839 S954	F523-L554 HydrophobicContact CB-CB 4.3Å; F523-L554 HydrophobicContact CB-CD1 3.91Å; F523-L554 HydrophobicContact CD2-CD1 4.39Å; Y550-L554 WeakPolarHBondContact O-CB 3.49Å; Y550-L554 WeakPolarHBondContact O-CG 3.5Å; Y550-L554 PolarHBondContact O-N 3.47Å; G552-L554 PolarHBondContact O-N 2.83Å; L554-Q556 VanDerWaalsContact C-N 3.35Å; L554-Q556 PolarHBondContact O-N 3.24Å; L554-L839 HydrophobicContact CD2-CD2 4.39Å; L554-S954 WeakPolarHBondContact O-CB 3.47Å; L554-S954 PolarHBondContact O-OG 2.89Å
555	G	95.8	Very high	95.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	16.2	172.8	0	0	0	0	0	115.4	G552 F557	G552-G555 PolarHBondContact O-N 3.06Å; G552-G555 VanDerWaalsContact O-N 3.1Å; G555-F557 PolarHBondContact O-N 3.13Å
556	Q	96.8	Very high	95.5	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	13%	0.134	C	C	.	.			trans	-97.8	73.1	176.7	-63.8	-76.6	-31.6	0	0	109.5	F523 A551 L554 A558 A559 A560 S950 S954	F523-Q556 HydrophobicContact CB-CG 4.05Å; F523-Q556 HydrophobicContact CD1-CB 3.95Å; F523-Q556 HydrophobicContact CD1-CG 4.11Å; A551-Q556 PolarHBondContact O-N 3.1Å; L554-Q556 VanDerWaalsContact C-N 3.35Å; L554-Q556 PolarHBondContact O-N 3.24Å; Q556-A558 PolarHBondContact O-N 3.17Å; Q556-A559 HydrophobicContact CB-CB 4.12Å; Q556-A559 PolarHBondContact O-N 2.88Å; Q556-A560 WeakPolarHBondContact O-CB 3.31Å; Q556-A560 PolarHBondContact O-N 3.38Å; Q556-S950 PolarHBondContact NE2-O 3.04Å; Q556-S954 PolarHBondContact NE2-OG 3.42Å
557	F	96.4	Very high	95.5	Very high	15 Å²	15	23 Å²	23	7%	0.066	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-36.3	-172.3	-59.3	-50.9	0	0	0	112.5	G555 A560 S561 L620 T624 E957 L958 L961	G555-F557 PolarHBondContact O-N 3.13Å; F557-A560 PolarHBondContact O-N 2.85Å; F557-S561 WeakPolarHBondContact O-CB 3.45Å; F557-S561 PolarHBondContact O-N 2.83Å; F557-L620 HydrophobicContact CB-CD1 3.98Å; F557-L620 HydrophobicContact CD1-CD1 3.57Å; F557-L620 HydrophobicContact CE1-CD1 4.43Å; F557-L620 HydrophobicContact CG-CD1 4.09Å; F557-T624 HydrophobicContact CB-CG2 4.22Å; F557-T624 HydrophobicContact CG-CG2 4.43Å; F557-E957 WeakPolarHBondContact CA-OE2 3.33Å; F557-E957 VanDerWaalsContact CB-OE2 3.31Å; F557-E957 WeakPolarHBondContact CB-OE2 3.46Å; F557-E957 HydrophobicContact CD2-CB 4.28Å; F557-E957 PolarHBondContact N-OE2 2.7Å; F557-L958 HydrophobicContact CE2-CD2 3.78Å; F557-L958 HydrophobicContact CE2-CG 4.38Å; F557-L958 HydrophobicContact CZ-CD2 3.67Å; F557-L961 HydrophobicContact CD2-CD2 4.29Å; F557-L961 HydrophobicContact CE2-CD2 3.72Å; F557-L961 HydrophobicContact CZ-CD2 4.17Å
558	A	95.6	Very high	95.5	Very high	64 Å²	64	23.4 Å²	23.4	53%	0.529	14%	0.135	S	C	.	.	H	α-helix	trans	-61.5	-47.9	175	0	0	0	0	0	111.6	Q556 A560 S561 Q562 E957	Q556-A558 PolarHBondContact O-N 3.17Å; A558-A560 VanDerWaalsContact C-N 3.35Å; A558-A560 PolarHBondContact O-N 3.07Å; A558-S561 PolarHBondContact O-N 3.12Å; A558-Q562 PolarHBondContact O-N 3.31Å; A558-E957 PolarHBondContact N-OE2 2.86Å; A558-E957 VanDerWaalsContact N-OE2 3.08Å
559	A	96.3	Very high	95.4	Very high	12 Å²	12	29 Å²	29	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-36	177.7	0	0	0	0	0	112.1	F523 V527 Q556 Q562 S563	F523-A559 HydrophobicContact CD1-CB 4.17Å; F523-A559 HydrophobicContact CE1-CB 3.78Å; V527-A559 HydrophobicContact CG2-CB 3.86Å; Q556-A559 HydrophobicContact CB-CB 4.12Å; Q556-A559 PolarHBondContact O-N 2.88Å; A559-Q562 PolarHBondContact O-N 2.72Å; A559-S563 WeakPolarHBondContact O-CB 3.18Å; A559-S563 PolarHBondContact O-N 3.11Å; A559-S563 PolarHBondContact O-OG 3.37Å
560	A	97.2	Very high	95.4	Very high	7 Å²	7	28.3 Å²	28.3	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.4	0	0	0	0	0	111.7	A551 Q556 F557 A558 Q562 S563 C564 L620	A551-A560 VanDerWaalsContact CB-CA 3.46Å; A551-A560 HydrophobicContact CB-CB 3.59Å; Q556-A560 WeakPolarHBondContact O-CB 3.31Å; Q556-A560 PolarHBondContact O-N 3.38Å; F557-A560 PolarHBondContact O-N 2.85Å; A558-A560 VanDerWaalsContact C-N 3.35Å; A558-A560 PolarHBondContact O-N 3.07Å; A560-Q562 PolarHBondContact O-N 2.91Å; A560-S563 PolarHBondContact O-N 2.83Å; A560-C564 WeakPolarHBondContact O-CB 3.45Å; A560-C564 PolarHBondContact O-N 3.39Å; A560-C564 PolarHBondContact O-SG 3.4Å; A560-C564 VanDerWaalsContact O-SG 3.36Å; A560-L620 HydrophobicContact CB-CD2 3.79Å
561	S	96.1	Very high	95.3	Very high	29 Å²	29	27.8 Å²	27.8	20%	0.203	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-48.6	175.6	170.4	0	0	0	0	111.5	F557 A558 S563 C564 N565 R617	F557-S561 WeakPolarHBondContact O-CB 3.45Å; F557-S561 PolarHBondContact O-N 2.83Å; A558-S561 PolarHBondContact O-N 3.12Å; S561-S563 PolarHBondContact O-N 3.1Å; S561-C564 PolarHBondContact O-N 3.47Å; S561-N565 WeakPolarHBondContact O-CB 3.38Å; S561-N565 VanDerWaalsContact O-CG 3.23Å; S561-N565 PolarHBondContact O-N 2.91Å; S561-N565 PolarHBondContact O-ND2 3.39Å; S561-N565 PolarHBondContact OG-ND2 3.03Å; S561-R617 VanDerWaalsContact CB-NH1 3.33Å; S561-R617 VanDerWaalsContact OG-CZ 3.26Å; S561-R617 PolarHBondContact OG-NH1 3.14Å
562	Q	95	Very high	95	Very high	92 Å²	92	31.6 Å²	31.6	43%	0.43	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-44.1	179.3	-173.2	176.9	-2.5	0	0	112.1	A558 A559 A560 N565 F566	A558-Q562 PolarHBondContact O-N 3.31Å; A559-Q562 PolarHBondContact O-N 2.72Å; A560-Q562 PolarHBondContact O-N 2.91Å; Q562-N565 PolarHBondContact O-N 3.2Å; Q562-F566 HydrophobicContact CG-CD2 4.08Å; Q562-F566 HydrophobicContact CG-CE2 3.47Å; Q562-F566 VanDerWaalsContact CG-CE2 3.47Å; Q562-F566 HydrophobicContact CG-CZ 3.75Å; Q562-F566 VanDerWaalsContact NE2-CZ 3.3Å; Q562-F566 VanDerWaalsContact O-CD2 3.31Å; Q562-F566 WeakPolarHBondContact O-CD2 3.42Å; Q562-F566 WeakPolarHBondContact O-CG 3.48Å; Q562-F566 PolarHBondContact O-N 3.41Å
563	S	95.1	Very high	94.7	Very high	8 Å²	8	33.7 Å²	33.7	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-47.9	178.3	-58	0	0	0	0	111.4	A559 A560 S561 N565 F566 S567	A559-S563 WeakPolarHBondContact O-CB 3.18Å; A559-S563 PolarHBondContact O-N 3.11Å; A559-S563 PolarHBondContact O-OG 3.37Å; A560-S563 PolarHBondContact O-N 2.83Å; S561-S563 PolarHBondContact O-N 3.1Å; S563-N565 VanDerWaalsContact C-N 3.33Å; S563-N565 PolarHBondContact O-N 3Å; S563-F566 PolarHBondContact O-N 3.36Å; S563-S567 PolarHBondContact O-N 3.18Å
564	C	96.7	Very high	94.4	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-41.8	175.9	-70	0	0	0	0	111.9	A560 S561 F566 S567 L568 V613 R617	A560-C564 WeakPolarHBondContact O-CB 3.45Å; A560-C564 PolarHBondContact O-N 3.39Å; A560-C564 PolarHBondContact O-SG 3.4Å; A560-C564 VanDerWaalsContact O-SG 3.36Å; S561-C564 PolarHBondContact O-N 3.47Å; C564-F566 VanDerWaalsContact C-N 3.34Å; C564-F566 PolarHBondContact O-N 3.1Å; C564-S567 PolarHBondContact O-N 3.32Å; C564-L568 WeakPolarHBondContact O-CB 3.23Å; C564-L568 WeakPolarHBondContact O-CG 3.39Å; C564-L568 PolarHBondContact O-N 3.39Å; C564-V613 HydrophobicContact CB-CG1 3.74Å; C564-V613 WeakPolarHBondContact O-CG1 3.43Å; C564-R617 HydrophobicContact CB-CB 4Å; C564-R617 HydrophobicContact CB-CG 4.34Å
565	N	93.5	Very high	93.7	Very high	46 Å²	46	36.4 Å²	36.4	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-37.4	178.5	-77.4	-37.9	0	0	0	112.7	S561 Q562 S563 R569 R617	S561-N565 WeakPolarHBondContact O-CB 3.38Å; S561-N565 VanDerWaalsContact O-CG 3.23Å; S561-N565 PolarHBondContact O-N 2.91Å; S561-N565 PolarHBondContact O-ND2 3.39Å; S561-N565 PolarHBondContact OG-ND2 3.03Å; Q562-N565 PolarHBondContact O-N 3.2Å; S563-N565 VanDerWaalsContact C-N 3.33Å; S563-N565 PolarHBondContact O-N 3Å; N565-R569 WeakPolarHBondContact O-CB 3.46Å; N565-R569 WeakPolarHBondContact O-CG 3.42Å; N565-R569 PolarHBondContact O-N 3.41Å; N565-R617 PolarHBondContact OD1-NE 3Å; N565-R617 VanDerWaalsContact OD1-NE 3.14Å
566	F	92	Very high	93	Very high	68 Å²	68	40.8 Å²	40.8	30%	0.298	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-48.2	174.9	-68.4	-42.8	0	0	0	111.8	Q562 S563 C564 R569 F570	Q562-F566 HydrophobicContact CG-CD2 4.08Å; Q562-F566 HydrophobicContact CG-CE2 3.47Å; Q562-F566 VanDerWaalsContact CG-CE2 3.47Å; Q562-F566 HydrophobicContact CG-CZ 3.75Å; Q562-F566 VanDerWaalsContact NE2-CZ 3.3Å; Q562-F566 VanDerWaalsContact O-CD2 3.31Å; Q562-F566 WeakPolarHBondContact O-CD2 3.42Å; Q562-F566 WeakPolarHBondContact O-CG 3.48Å; Q562-F566 PolarHBondContact O-N 3.41Å; S563-F566 PolarHBondContact O-N 3.36Å; C564-F566 VanDerWaalsContact C-N 3.34Å; C564-F566 PolarHBondContact O-N 3.1Å; F566-R569 PolarHBondContact O-N 3.46Å; F566-F570 PolarHBondContact O-N 3.25Å
567	S	95.1	Very high	92.5	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-45.2	177.7	-65.4	0	0	0	0	112.3	S563 C564 R569 F570 F571 H609	S563-S567 PolarHBondContact O-N 3.18Å; C564-S567 PolarHBondContact O-N 3.32Å; S567-R569 PolarHBondContact O-N 2.76Å; S567-F570 WeakPolarHBondContact O-CB 3.33Å; S567-F570 PolarHBondContact O-N 2.87Å; S567-F570 VanDerWaalsContact O-N 3.15Å; S567-F571 WeakPolarHBondContact O-CD2 3.34Å; S567-F571 PolarHBondContact O-N 2.81Å; S567-H609 PolarHBondContact OG-NE2 3.16Å
568	L	95	Very high	92	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-41.2	178.4	-71	173.8	0	0	0	112.9	C564 F570 F571 H572 F610 V613 R614 R617	C564-L568 WeakPolarHBondContact O-CB 3.23Å; C564-L568 WeakPolarHBondContact O-CG 3.39Å; C564-L568 PolarHBondContact O-N 3.39Å; L568-F570 VanDerWaalsContact C-N 3.27Å; L568-F570 PolarHBondContact O-N 3.08Å; L568-F571 PolarHBondContact O-N 3.34Å; L568-H572 WeakPolarHBondContact O-CB 3.48Å; L568-H572 PolarHBondContact O-N 3.04Å; L568-F610 HydrophobicContact CD2-CD2 4.17Å; L568-F610 HydrophobicContact CD2-CE2 3.82Å; L568-V613 HydrophobicContact CD1-CG1 4.3Å; L568-V613 HydrophobicContact CD2-CG1 3.91Å; L568-V613 HydrophobicContact CG-CG1 3.65Å; L568-R614 HydrophobicContact CD2-CB 4.29Å; L568-R617 HydrophobicContact CD1-CB 3.9Å; L568-R617 HydrophobicContact CD1-CG 3.77Å
569	R	93.1	Very high	91.4	Very high	147 Å²	147	40.9 Å²	40.9	56%	0.555	20%	0.204	S	C	*	.	H	α-helix	trans	-57.8	-43.9	175.1	-75.9	176.1	-148.1	159.5	6.2	110.7	N565 F566 S567 S573	N565-R569 WeakPolarHBondContact O-CB 3.46Å; N565-R569 WeakPolarHBondContact O-CG 3.42Å; N565-R569 PolarHBondContact O-N 3.41Å; F566-R569 PolarHBondContact O-N 3.46Å; S567-R569 PolarHBondContact O-N 2.76Å; R569-S573 WeakPolarHBondContact O-CB 3.4Å; R569-S573 PolarHBondContact O-N 3.35Å; R569-S573 PolarHBondContact O-OG 2.96Å
570	F	94.6	Very high	90.8	Very high	21 Å²	21	42.4 Å²	42.4	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-51.6	175.7	161.6	-105.7	0	0	0	112	H537 V538 H540 D541 F566 S567 L568 H572 S573 N574 L604	H537-F570 HydrophobicContact CB-CD2 4.37Å; H537-F570 HydrophobicContact CB-CE2 4.31Å; H537-F570 VanDerWaalsContact O-CD2 3.31Å; H537-F570 WeakPolarHBondContact O-CD2 3.43Å; H537-F570 WeakPolarHBondContact O-CE2 3.32Å; H537-F570 WeakPolarHBondContact O-CG 3.44Å; V538-F570 HydrophobicContact CB-CZ 4.48Å; H540-F570 HydrophobicContact CB-CB 4.18Å; H540-F570 HydrophobicContact CB-CD1 4.08Å; H540-F570 HydrophobicContact CB-CG 4.23Å; D541-F570 HydrophobicContact CB-CE1 4.03Å; F566-F570 PolarHBondContact O-N 3.25Å; S567-F570 WeakPolarHBondContact O-CB 3.33Å; S567-F570 PolarHBondContact O-N 2.87Å; S567-F570 VanDerWaalsContact O-N 3.15Å; L568-F570 VanDerWaalsContact C-N 3.27Å; L568-F570 PolarHBondContact O-N 3.08Å; F570-H572 PolarHBondContact O-N 3.06Å; F570-S573 PolarHBondContact O-N 2.94Å; F570-N574 HydrophobicContact CE2-CB 4.24Å; F570-N574 HydrophobicContact CZ-CB 4.44Å; F570-N574 VanDerWaalsContact O-CB 3.23Å; F570-N574 WeakPolarHBondContact O-CB 3.34Å; F570-N574 PolarHBondContact O-N 3.23Å; F570-L604 HydrophobicContact CZ-CD1 4.02Å; F570-L604 HydrophobicContact CZ-CD2 4.48Å
571	F	93.8	Very high	90.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-44.3	-177.7	-71.2	-67.3	0	0	0	112.6	D541 S567 L568 N574 Q575 F610	D541-F571 HydrophobicContact CB-CE1 4.1Å; D541-F571 HydrophobicContact CB-CZ 3.91Å; D541-F571 VanDerWaalsContact OD1-CZ 3.23Å; D541-F571 WeakPolarHBondContact OD1-CZ 3.4Å; S567-F571 WeakPolarHBondContact O-CD2 3.34Å; S567-F571 PolarHBondContact O-N 2.81Å; L568-F571 PolarHBondContact O-N 3.34Å; F571-N574 PolarHBondContact O-N 3.47Å; F571-Q575 WeakPolarHBondContact O-CG 3.34Å; F571-Q575 PolarHBondContact O-N 3.26Å; F571-Q575 VanDerWaalsContact O-N 3.07Å; F571-F610 HydrophobicContact CB-CD2 3.54Å; F571-F610 HydrophobicContact CB-CE2 3.53Å; F571-F610 HydrophobicContact CB-CG 4.07Å; F571-F610 HydrophobicContact CB-CZ 4.05Å; F571-F610 HydrophobicContact CD1-CB 3.87Å; F571-F610 HydrophobicContact CD1-CD1 4.46Å; F571-F610 HydrophobicContact CD1-CD2 4.11Å; F571-F610 AromaticContact CD1-CG 3.9Å; F571-F610 HydrophobicContact CD1-CG 3.9Å; F571-F610 HydrophobicContact CD2-CB 3.9Å; F571-F610 AromaticContact CD2-CD2 3.33Å; F571-F610 HydrophobicContact CD2-CD2 3.33Å; F571-F610 HydrophobicContact CD2-CE2 4.12Å; F571-F610 AromaticContact CD2-CG 3.85Å; F571-F610 HydrophobicContact CD2-CG 3.85Å; F571-F610 HydrophobicContact CE1-CB 3.73Å; F571-F610 HydrophobicContact CE1-CG 4.29Å; F571-F610 HydrophobicContact CE2-CB 3.76Å; F571-F610 HydrophobicContact CE2-CD2 4.02Å; F571-F610 HydrophobicContact CE2-CG 4.24Å; F571-F610 HydrophobicContact CG-CB 3.97Å; F571-F610 HydrophobicContact CG-CD1 4.43Å; F571-F610 AromaticContact CG-CD2 3.39Å; F571-F610 HydrophobicContact CG-CD2 3.39Å; F571-F610 AromaticContact CG-CE2 3.96Å; F571-F610 HydrophobicContact CG-CE2 3.96Å; F571-F610 AromaticContact CG-CG 3.68Å; F571-F610 HydrophobicContact CG-CG 3.68Å; F571-F610 HydrophobicContact CZ-CB 3.68Å; F571-F610 HydrophobicContact CZ-CG 4.45Å
572	H	89.3	Confident	90.1	Very high	80 Å²	80	47 Å²	47	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-41.3	178	-64.8	166.4	0	0	0	112.4	L568 F570 Q575 K576	L568-H572 WeakPolarHBondContact O-CB 3.48Å; L568-H572 PolarHBondContact O-N 3.04Å; F570-H572 PolarHBondContact O-N 3.06Å; H572-Q575 PolarHBondContact O-N 3.03Å; H572-K576 PolarHBondContact O-N 3.15Å
573	S	88.4	Confident	89.8	Confident	61 Å²	61	42.9 Å²	42.9	43%	0.427	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-44.1	173	-76.7	0	0	0	0	111.3	R569 F570 Q575 K576 D577	R569-S573 WeakPolarHBondContact O-CB 3.4Å; R569-S573 PolarHBondContact O-N 3.35Å; R569-S573 PolarHBondContact O-OG 2.96Å; F570-S573 PolarHBondContact O-N 2.94Å; S573-Q575 VanDerWaalsContact C-N 3.34Å; S573-Q575 PolarHBondContact O-N 3.42Å; S573-K576 WeakPolarHBondContact O-CB 3.26Å; S573-K576 PolarHBondContact O-N 3.33Å; S573-K576 VanDerWaalsContact O-N 3.09Å; S573-D577 WeakPolarHBondContact O-CB 3.49Å; S573-D577 PolarHBondContact O-N 3.23Å
574	N	88.6	Confident	89.6	Confident	16 Å²	16	46.1 Å²	46.1	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-40.3	-179.7	177.5	73.3	0	0	0	112.9	F570 F571 K576 D577 T578 L604	F570-N574 HydrophobicContact CE2-CB 4.24Å; F570-N574 HydrophobicContact CZ-CB 4.44Å; F570-N574 VanDerWaalsContact O-CB 3.23Å; F570-N574 WeakPolarHBondContact O-CB 3.34Å; F570-N574 PolarHBondContact O-N 3.23Å; F571-N574 PolarHBondContact O-N 3.47Å; N574-K576 VanDerWaalsContact C-N 3.27Å; N574-K576 PolarHBondContact O-N 2.89Å; N574-D577 PolarHBondContact O-N 3.41Å; N574-T578 VanDerWaalsContact O-CB 3.27Å; N574-T578 WeakPolarHBondContact O-CB 3.26Å; N574-T578 PolarHBondContact O-N 3.43Å; N574-T578 PolarHBondContact O-OG1 3.05Å; N574-T578 PolarHBondContact OD1-OG1 2.89Å; N574-L604 VanDerWaalsContact CG-CD1 3.43Å; N574-L604 WeakPolarHBondContact ND2-CD1 3.44Å; N574-L604 WeakPolarHBondContact OD1-CD1 3.41Å
575	Q	82.7	Confident	89.5	Confident	53 Å²	53	46 Å²	46	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-42.3	174.6	-76.8	174.2	1	0	0	112	F571 H572 S573 S579 N605	F571-Q575 WeakPolarHBondContact O-CG 3.34Å; F571-Q575 PolarHBondContact O-N 3.26Å; F571-Q575 VanDerWaalsContact O-N 3.07Å; H572-Q575 PolarHBondContact O-N 3.03Å; S573-Q575 VanDerWaalsContact C-N 3.34Å; S573-Q575 PolarHBondContact O-N 3.42Å; Q575-S579 PolarHBondContact O-OG 3.32Å; Q575-N605 WeakPolarHBondContact CG-OD1 3.45Å; Q575-N605 PolarHBondContact NE2-OD1 3.13Å
576	K	81.2	Confident	89.4	Confident	93 Å²	93	44 Å²	44	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-71.9	-48.1	178	-178.7	-179.7	176.3	178.5	0	111.9	H572 S573 N574	H572-K576 PolarHBondContact O-N 3.15Å; S573-K576 WeakPolarHBondContact O-CB 3.26Å; S573-K576 PolarHBondContact O-N 3.33Å; S573-K576 VanDerWaalsContact O-N 3.09Å; N574-K576 VanDerWaalsContact C-N 3.27Å; N574-K576 PolarHBondContact O-N 2.89Å
577	D	86.1	Confident	89.4	Confident	73 Å²	73	46.7 Å²	46.7	39%	0.39	22%	0.217	S	C	.	.	H	α-helix	trans	-74.1	-43.6	-170.4	-65.6	-19.4	0	0	0	111.6	S573 N574 S579 E580 Y581	S573-D577 WeakPolarHBondContact O-CB 3.49Å; S573-D577 PolarHBondContact O-N 3.23Å; N574-D577 PolarHBondContact O-N 3.41Å; D577-S579 PolarHBondContact O-N 3.13Å; D577-E580 WeakPolarHBondContact O-CA 3.37Å; D577-E580 WeakPolarHBondContact O-CB 3.41Å; D577-E580 PolarHBondContact O-N 2.56Å; D577-Y581 HydrophobicContact CB-CD2 4.46Å; D577-Y581 HydrophobicContact CB-CE2 4.1Å; D577-Y581 WeakPolarHBondContact O-CD2 3.45Å; D577-Y581 PolarHBondContact O-N 3.44Å
578	T	86.3	Confident	89.3	Confident	8 Å²	8	55.5 Å²	55.5	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-36.4	178.6	-53.4	0	0	0	0	111.7	N574 E580 Y581 I582 F597 R601	N574-T578 VanDerWaalsContact O-CB 3.27Å; N574-T578 WeakPolarHBondContact O-CB 3.26Å; N574-T578 PolarHBondContact O-N 3.43Å; N574-T578 PolarHBondContact O-OG1 3.05Å; N574-T578 PolarHBondContact OD1-OG1 2.89Å; T578-E580 VanDerWaalsContact C-N 3.28Å; T578-E580 PolarHBondContact O-N 3.09Å; T578-Y581 PolarHBondContact O-N 3.27Å; T578-I582 HydrophobicContact CG2-CD1 4.23Å; T578-I582 WeakPolarHBondContact O-CD1 3.44Å; T578-I582 WeakPolarHBondContact O-CG1 3.48Å; T578-I582 PolarHBondContact O-N 3.42Å; T578-F597 HydrophobicContact CG2-CB 4.5Å; T578-R601 HydrophobicContact CG2-CB 3.76Å; T578-R601 HydrophobicContact CG2-CG 4.21Å
579	S	82.9	Confident	89.1	Confident	13 Å²	13	55.1 Å²	55.1	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-31.4	176.4	-56.9	0	0	0	0	112.7	Q575 D577 I583 R601	Q575-S579 PolarHBondContact O-OG 3.32Å; D577-S579 PolarHBondContact O-N 3.13Å; S579-I583 PolarHBondContact O-N 3.17Å; S579-R601 PolarHBondContact OG-NH1 3.26Å
580	E	84.9	Confident	89.1	Confident	43 Å²	43	49.8 Å²	49.8	20%	0.201	24%	0.24	C	C	.	.	H	α-helix	trans	-77.4	-35	173.4	-64	-61.7	135.1	0	0	112.3	R90 R125 D577 T578 I582 I583 Q584	R90-E580 IonicContact CZ-OE1 2.74Å; R90-E580 IonicContact NE-OE1 2.68Å; R90-E580 IonicContact NH1-OE1 3.99Å; R90-E580 PolarHBondContact NH1-OE1 3.28Å; R90-E580 VanDerWaalsContact NH2-CD 3.31Å; R90-E580 VanDerWaalsContact NH2-CG 3.26Å; R90-E580 IonicContact NH2-OE1 2.89Å; R90-E580 PolarHBondContact NH2-OE1 2.86Å; R125-E580 IonicContact CZ-OE1 2.8Å; R125-E580 VanDerWaalsContact CZ-OE1 3.31Å; R125-E580 IonicContact NE-OE1 3.32Å; R125-E580 PolarHBondContact NE-OE1 2.85Å; R125-E580 IonicContact NH2-OE1 3.88Å; R125-E580 PolarHBondContact NH2-OE1 3.32Å; R125-E580 IonicContact NH2-OE2 3.13Å; D577-E580 WeakPolarHBondContact O-CA 3.37Å; D577-E580 WeakPolarHBondContact O-CB 3.41Å; D577-E580 PolarHBondContact O-N 2.56Å; T578-E580 VanDerWaalsContact C-N 3.28Å; T578-E580 PolarHBondContact O-N 3.09Å; E580-I582 VanDerWaalsContact C-N 3.32Å; E580-I582 PolarHBondContact O-N 3.31Å; E580-I583 WeakPolarHBondContact O-CB 3.49Å; E580-I583 PolarHBondContact O-N 3.11Å; E580-Q584 WeakPolarHBondContact O-CG 3.37Å; E580-Q584 PolarHBondContact O-N 3.45Å
581	Y	89.5	Confident	89.1	Confident	129 Å²	129	49.1 Å²	49.1	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-33.8	174.3	-69.6	-62.2	0	0	0	112.5	D577 T578 I583 Q584 A585	D577-Y581 HydrophobicContact CB-CD2 4.46Å; D577-Y581 HydrophobicContact CB-CE2 4.1Å; D577-Y581 WeakPolarHBondContact O-CD2 3.45Å; D577-Y581 PolarHBondContact O-N 3.44Å; T578-Y581 PolarHBondContact O-N 3.27Å; Y581-I583 VanDerWaalsContact C-N 3.35Å; Y581-Q584 PolarHBondContact O-N 3.08Å; Y581-A585 WeakPolarHBondContact O-CB 3.4Å; Y581-A585 PolarHBondContact O-N 3.45Å
582	I	89.4	Confident	88.9	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-44.6	170.3	-69.1	156.2	0	0	0	110.8	T578 E580 Q584 A585 Y586 I594 F597 I598	T578-I582 HydrophobicContact CG2-CD1 4.23Å; T578-I582 WeakPolarHBondContact O-CD1 3.44Å; T578-I582 WeakPolarHBondContact O-CG1 3.48Å; T578-I582 PolarHBondContact O-N 3.42Å; E580-I582 VanDerWaalsContact C-N 3.32Å; E580-I582 PolarHBondContact O-N 3.31Å; I582-Q584 VanDerWaalsContact C-N 3.34Å; I582-Q584 PolarHBondContact O-N 3.21Å; I582-A585 WeakPolarHBondContact O-CB 3.35Å; I582-A585 PolarHBondContact O-N 3.33Å; I582-Y586 HydrophobicContact CG2-CE2 4.25Å; I582-Y586 WeakPolarHBondContact O-CD2 3.31Å; I582-Y586 PolarHBondContact O-N 3.14Å; I582-I594 HydrophobicContact CG2-CG2 4.34Å; I582-F597 HydrophobicContact CD1-CB 4.45Å; I582-F597 HydrophobicContact CG1-CB 3.75Å; I582-F597 HydrophobicContact CG1-CD2 4.43Å; I582-I598 HydrophobicContact CD1-CD1 3.4Å; I582-I598 HydrophobicContact CD1-CG1 4.06Å; I582-I598 HydrophobicContact CG1-CD1 4.25Å; I582-I598 HydrophobicContact CG1-CG1 4.5Å
583	I	87.7	Confident	89.2	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-43.5	175	-76	164.2	0	0	0	111.3	M121 A124 R125 S579 E580 Y581 A585 Y586 K587	M121-I583 HydrophobicContact CB-CD1 4.2Å; M121-I583 HydrophobicContact CB-CG1 4.26Å; M121-I583 HydrophobicContact CB-CG2 4.41Å; M121-I583 HydrophobicContact CG-CG2 4.07Å; M121-I583 HydrophobicContact SD-CB 4.13Å; M121-I583 HydrophobicContact SD-CG1 4.05Å; M121-I583 HydrophobicContact SD-CG2 3.53Å; M121-I583 VanDerWaalsContact SD-CG2 3.53Å; A124-I583 HydrophobicContact CB-CG1 4.25Å; R125-I583 HydrophobicContact CB-CD1 4.36Å; R125-I583 VanDerWaalsContact NH2-CD1 3.28Å; S579-I583 PolarHBondContact O-N 3.17Å; E580-I583 WeakPolarHBondContact O-CB 3.49Å; E580-I583 PolarHBondContact O-N 3.11Å; Y581-I583 VanDerWaalsContact C-N 3.35Å; I583-A585 VanDerWaalsContact C-N 3.33Å; I583-A585 PolarHBondContact O-N 2.78Å; I583-Y586 PolarHBondContact O-N 2.64Å; I583-K587 PolarHBondContact O-N 3.24Å
584	Q	91.4	Very high	89.4	Confident	77 Å²	77	48.3 Å²	48.3	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-36.2	177.2	-71.3	177.8	26.6	0	0	112.1	E580 Y581 I582 Y586 K587 Y588	E580-Q584 WeakPolarHBondContact O-CG 3.37Å; E580-Q584 PolarHBondContact O-N 3.45Å; Y581-Q584 PolarHBondContact O-N 3.08Å; I582-Q584 VanDerWaalsContact C-N 3.34Å; I582-Q584 PolarHBondContact O-N 3.21Å; Q584-Y586 VanDerWaalsContact C-N 3.31Å; Q584-Y586 PolarHBondContact O-N 3.1Å; Q584-K587 WeakPolarHBondContact O-CB 3.16Å; Q584-K587 PolarHBondContact O-N 3.4Å; Q584-Y588 HydrophobicContact CB-CD2 4.07Å; Q584-Y588 HydrophobicContact CB-CE2 4.02Å; Q584-Y588 HydrophobicContact CG-CE2 4.39Å; Q584-Y588 WeakPolarHBondContact O-CD2 3.46Å; Q584-Y588 PolarHBondContact O-N 3.36Å
585	A	93.9	Very high	89.6	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-39	177	0	0	0	0	0	112.3	Y581 I582 I583 G589 A590 I594 F597	Y581-A585 WeakPolarHBondContact O-CB 3.4Å; Y581-A585 PolarHBondContact O-N 3.45Å; I582-A585 WeakPolarHBondContact O-CB 3.35Å; I582-A585 PolarHBondContact O-N 3.33Å; I583-A585 VanDerWaalsContact C-N 3.33Å; I583-A585 PolarHBondContact O-N 2.78Å; A585-G589 PolarHBondContact O-N 3.09Å; A585-G589 VanDerWaalsContact O-N 3.07Å; A585-A590 HydrophobicContact CB-CB 4.21Å; A585-A590 PolarHBondContact O-N 3.33Å; A585-I594 HydrophobicContact CB-CD1 4.22Å; A585-I594 HydrophobicContact CB-CG1 3.53Å; A585-F597 HydrophobicContact CB-CD2 4.25Å; A585-F597 HydrophobicContact CB-CE2 4.07Å
586	Y	92.6	Very high	90.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-43.5	170.4	-79.7	-81.4	0	0	0	112.2	F120 M132 W151 M154 I582 I583 Q584 G589 F591 I594	F120-Y586 AromaticContact CE1-CD1 3.98Å; F120-Y586 HydrophobicContact CE1-CD1 3.98Å; F120-Y586 HydrophobicContact CE1-CD2 4.4Å; F120-Y586 HydrophobicContact CE1-CE1 4.25Å; F120-Y586 HydrophobicContact CE1-CG 4.07Å; F120-Y586 AromaticContact CZ-CD1 3.98Å; F120-Y586 HydrophobicContact CZ-CD1 3.98Å; F120-Y586 AromaticContact CZ-CE1 3.88Å; F120-Y586 HydrophobicContact CZ-CE1 3.88Å; M132-Y586 HydrophobicContact CE-CE1 4.26Å; M132-Y586 HydrophobicContact CE-CE2 3.78Å; M132-Y586 WeakPolarHBondContact CE-OH 3.37Å; W151-Y586 HydrophobicContact CB-CD1 4.38Å; W151-Y586 AromaticContact CD1-CD1 3.95Å; W151-Y586 HydrophobicContact CG-CD1 4.11Å; W151-Y586 PolarHBondContact NE1-O 2.81Å; M154-Y586 HydrophobicContact CB-CE1 3.81Å; M154-Y586 HydrophobicContact CG-CD1 4.47Å; M154-Y586 HydrophobicContact CG-CE1 3.61Å; I582-Y586 HydrophobicContact CG2-CE2 4.25Å; I582-Y586 WeakPolarHBondContact O-CD2 3.31Å; I582-Y586 PolarHBondContact O-N 3.14Å; I583-Y586 PolarHBondContact O-N 2.64Å; Q584-Y586 VanDerWaalsContact C-N 3.31Å; Q584-Y586 PolarHBondContact O-N 3.1Å; Y586-G589 PolarHBondContact O-N 3.05Å; Y586-F591 HydrophobicContact CD1-CE1 4.14Å; Y586-I594 HydrophobicContact CD1-CD1 3.93Å; Y586-I594 HydrophobicContact CD2-CD1 3.73Å; Y586-I594 HydrophobicContact CD2-CG1 4.49Å; Y586-I594 HydrophobicContact CE1-CD1 3.86Å; Y586-I594 HydrophobicContact CE2-CD1 3.64Å; Y586-I594 HydrophobicContact CE2-CG1 4.37Å; Y586-I594 HydrophobicContact CE2-CG2 4.19Å; Y586-I594 HydrophobicContact CG-CD1 3.86Å
587	K	90.9	Very high	90.8	Very high	126 Å²	126	49.1 Å²	49.1	55%	0.548	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-37.7	-178.2	-68.3	-177.8	178.9	-175.5	0	113.3	M121 W151 I583 Q584	M121-K587 HydrophobicContact CE-CG 3.89Å; W151-K587 HydrophobicContact CZ2-CG 4.37Å; I583-K587 PolarHBondContact O-N 3.24Å; Q584-K587 WeakPolarHBondContact O-CB 3.16Å; Q584-K587 PolarHBondContact O-N 3.4Å
588	Y	92.4	Very high	91.1	Very high	187 Å²	187	46.6 Å²	46.6	73%	0.733	22%	0.217	S	C	*	.	H	α-helix	trans	-90.6	-1.9	-179.8	-64.7	-59.3	0	0	0	113.7	Q584 A590	Q584-Y588 HydrophobicContact CB-CD2 4.07Å; Q584-Y588 HydrophobicContact CB-CE2 4.02Å; Q584-Y588 HydrophobicContact CG-CE2 4.39Å; Q584-Y588 WeakPolarHBondContact O-CD2 3.46Å; Q584-Y588 PolarHBondContact O-N 3.36Å; Y588-A590 VanDerWaalsContact C-N 3.32Å; Y588-A590 PolarHBondContact O-N 3.4Å
589	G	91	Very high	91.3	Very high	14 Å²	14	49 Å²	49	14%	0.144	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	20.1	-178.6	0	0	0	0	0	114.2	A194 A585 Y586 F591	A194-G589 WeakPolarHBondContact CB-O 3.26Å; A585-G589 PolarHBondContact O-N 3.09Å; A585-G589 VanDerWaalsContact O-N 3.07Å; Y586-G589 PolarHBondContact O-N 3.05Å; G589-F591 PolarHBondContact O-N 3.12Å
590	A	93.3	Very high	91.9	Very high	35 Å²	35	52.6 Å²	52.6	29%	0.289	25%	0.252	S	S	.	.			trans	-80.5	57.7	176.7	0	0	0	0	0	111.2	A585 Y588 E592 K593	A585-A590 HydrophobicContact CB-CB 4.21Å; A585-A590 PolarHBondContact O-N 3.33Å; Y588-A590 VanDerWaalsContact C-N 3.32Å; Y588-A590 PolarHBondContact O-N 3.4Å; A590-E592 VanDerWaalsContact C-N 3.34Å; A590-E592 PolarHBondContact O-N 2.94Å; A590-K593 HydrophobicContact CB-CB 4.38Å; A590-K593 HydrophobicContact CB-CG 4.43Å; A590-K593 PolarHBondContact O-N 3.3Å; A590-K593 VanDerWaalsContact O-N 3.15Å
591	F	94.3	Very high	92.2	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.026	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.1	-170.9	-64.4	-47.8	0	0	0	113.4	F150 W151 M154 A194 L198 Y586 G589 K593 I594 P595	F150-F591 HydrophobicContact CB-CE2 3.92Å; F150-F591 HydrophobicContact CB-CZ 3.88Å; W151-F591 AromaticContact CD1-CE1 3.98Å; M154-F591 HydrophobicContact CB-CD1 3.9Å; M154-F591 HydrophobicContact CB-CE1 4.18Å; M154-F591 HydrophobicContact CG-CB 4.43Å; M154-F591 HydrophobicContact CG-CD1 3.74Å; M154-F591 HydrophobicContact CG-CE1 4.42Å; M154-F591 HydrophobicContact CG-CG 4.36Å; M154-F591 HydrophobicContact SD-CB 3.8Å; M154-F591 HydrophobicContact SD-CD1 4.24Å; M154-F591 HydrophobicContact SD-CG 4.29Å; A194-F591 HydrophobicContact CB-CD2 4.08Å; A194-F591 HydrophobicContact CB-CE2 4.15Å; L198-F591 HydrophobicContact CB-CB 4.31Å; L198-F591 HydrophobicContact CB-CD2 3.94Å; L198-F591 HydrophobicContact CB-CG 4.46Å; L198-F591 HydrophobicContact CD1-CB 4.44Å; L198-F591 HydrophobicContact CD2-CD2 3.73Å; L198-F591 HydrophobicContact CD2-CE2 4.02Å; L198-F591 HydrophobicContact CD2-CG 4.1Å; L198-F591 HydrophobicContact CG-CD2 4.41Å; Y586-F591 HydrophobicContact CD1-CE1 4.14Å; G589-F591 PolarHBondContact O-N 3.12Å; F591-K593 PolarHBondContact O-N 3.05Å; F591-I594 HydrophobicContact CD1-CD1 3.95Å; F591-I594 PolarHBondContact O-N 2.76Å; F591-P595 VanDerWaalsContact O-CD 3.28Å; F591-P595 WeakPolarHBondContact O-CD 3.09Å
592	E	91.1	Very high	92.4	Very high	54 Å²	54	48.6 Å²	48.6	25%	0.252	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	177.8	-164.2	166.5	165.6	0	0	112.2	K234 A590 P595	K234-E592 IonicContact NZ-OE2 2.7Å; K234-E592 PolarHBondContact NZ-OE2 3.06Å; A590-E592 VanDerWaalsContact C-N 3.34Å; A590-E592 PolarHBondContact O-N 2.94Å; E592-P595 WeakPolarHBondContact O-CD 3.13Å
593	K	93.8	Very high	92.6	Very high	71 Å²	71	54.9 Å²	54.9	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-84.7	-16	-179.7	-57.8	-54.2	177.7	-169.7	0	114.4	A590 F591 E596 F597	A590-K593 HydrophobicContact CB-CB 4.38Å; A590-K593 HydrophobicContact CB-CG 4.43Å; A590-K593 PolarHBondContact O-N 3.3Å; A590-K593 VanDerWaalsContact O-N 3.15Å; F591-K593 PolarHBondContact O-N 3.05Å; K593-E596 WeakPolarHBondContact CD-OE2 3.27Å; K593-E596 IonicContact NZ-OE1 2.7Å; K593-E596 PolarHBondContact NZ-OE1 2.59Å; K593-E596 IonicContact NZ-OE2 3.02Å; K593-E596 PolarHBondContact NZ-OE2 3.49Å; K593-E596 PolarHBondContact O-N 2.91Å; K593-F597 HydrophobicContact CB-CD2 4.5Å; K593-F597 HydrophobicContact CB-CE2 4.13Å; K593-F597 HydrophobicContact CB-CZ 4.17Å; K593-F597 VanDerWaalsContact O-CG 3.31Å; K593-F597 WeakPolarHBondContact O-CG 3.49Å; K593-F597 PolarHBondContact O-N 3.24Å
594	I	94.3	Very high	93	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-49.7	179.7	-66.1	165.6	0	0	0	111.5	M154 M158 I582 A585 Y586 F591 E596 F597 I598	M154-I594 HydrophobicContact CE-CB 4.12Å; M154-I594 HydrophobicContact CE-CG2 4.21Å; M154-I594 HydrophobicContact CG-CD1 3.83Å; M154-I594 HydrophobicContact SD-CD1 4.49Å; M158-I594 HydrophobicContact CE-CG2 4.39Å; M158-I594 HydrophobicContact CG-CG2 4.22Å; M158-I594 HydrophobicContact SD-CG2 3.72Å; I582-I594 HydrophobicContact CG2-CG2 4.34Å; A585-I594 HydrophobicContact CB-CD1 4.22Å; A585-I594 HydrophobicContact CB-CG1 3.53Å; Y586-I594 HydrophobicContact CD1-CD1 3.93Å; Y586-I594 HydrophobicContact CD2-CD1 3.73Å; Y586-I594 HydrophobicContact CD2-CG1 4.49Å; Y586-I594 HydrophobicContact CE1-CD1 3.86Å; Y586-I594 HydrophobicContact CE2-CD1 3.64Å; Y586-I594 HydrophobicContact CE2-CG1 4.37Å; Y586-I594 HydrophobicContact CE2-CG2 4.19Å; Y586-I594 HydrophobicContact CG-CD1 3.86Å; F591-I594 HydrophobicContact CD1-CD1 3.95Å; F591-I594 PolarHBondContact O-N 2.76Å; I594-E596 VanDerWaalsContact C-N 3.31Å; I594-E596 PolarHBondContact O-N 2.61Å; I594-F597 PolarHBondContact O-N 3.2Å; I594-I598 VanDerWaalsContact O-CG1 3.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.44Å; I594-I598 PolarHBondContact O-N 3.43Å
595	P	92.9	Very high	93	Very high	18 Å²	18	53.7 Å²	53.7	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-40.6	173.1	-25.7	35.6	0	0	0	113.1	M154 M158 I161 M201 F591 E592 I598 A599	M154-P595 HydrophobicContact CE-CG 3.96Å; M158-P595 HydrophobicContact SD-CG 4.16Å; I161-P595 HydrophobicContact CD1-CB 4.01Å; I161-P595 HydrophobicContact CD1-CG 3.7Å; M201-P595 HydrophobicContact SD-CG 4.19Å; F591-P595 VanDerWaalsContact O-CD 3.28Å; F591-P595 WeakPolarHBondContact O-CD 3.09Å; E592-P595 WeakPolarHBondContact O-CD 3.13Å; P595-I598 PolarHBondContact O-N 3.24Å; P595-A599 WeakPolarHBondContact O-CB 3.4Å; P595-A599 PolarHBondContact O-N 3.43Å
596	E	94.5	Very high	93.1	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177.8	-67	178.5	-157.5	0	0	111.8	K593 I594 I598 A599 F600	K593-E596 WeakPolarHBondContact CD-OE2 3.27Å; K593-E596 IonicContact NZ-OE1 2.7Å; K593-E596 PolarHBondContact NZ-OE1 2.59Å; K593-E596 IonicContact NZ-OE2 3.02Å; K593-E596 PolarHBondContact NZ-OE2 3.49Å; K593-E596 PolarHBondContact O-N 2.91Å; I594-E596 VanDerWaalsContact C-N 3.31Å; I594-E596 PolarHBondContact O-N 2.61Å; E596-I598 VanDerWaalsContact C-N 3.33Å; E596-I598 PolarHBondContact O-N 2.83Å; E596-A599 PolarHBondContact O-N 3.05Å; E596-F600 WeakPolarHBondContact O-CB 2.99Å; E596-F600 PolarHBondContact O-N 3.2Å
597	F	94	Very high	93.3	Very high	69 Å²	69	55.5 Å²	55.5	30%	0.303	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-37.5	177	-68.8	-23.1	0	0	0	112.7	T578 I582 A585 K593 I594 R601	T578-F597 HydrophobicContact CG2-CB 4.5Å; I582-F597 HydrophobicContact CD1-CB 4.45Å; I582-F597 HydrophobicContact CG1-CB 3.75Å; I582-F597 HydrophobicContact CG1-CD2 4.43Å; A585-F597 HydrophobicContact CB-CD2 4.25Å; A585-F597 HydrophobicContact CB-CE2 4.07Å; K593-F597 HydrophobicContact CB-CD2 4.5Å; K593-F597 HydrophobicContact CB-CE2 4.13Å; K593-F597 HydrophobicContact CB-CZ 4.17Å; K593-F597 VanDerWaalsContact O-CG 3.31Å; K593-F597 WeakPolarHBondContact O-CG 3.49Å; K593-F597 PolarHBondContact O-N 3.24Å; I594-F597 PolarHBondContact O-N 3.2Å; F597-R601 WeakPolarHBondContact O-CB 3.31Å; F597-R601 PolarHBondContact O-N 3.02Å
598	I	91.3	Very high	93.7	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-45.9	174.6	-67.2	-73.8	0	0	0	110.4	M158 I582 I594 P595 E596 F600 R601 T602	M158-I598 HydrophobicContact CE-CB 4.41Å; M158-I598 HydrophobicContact CE-CG1 3.9Å; I582-I598 HydrophobicContact CD1-CD1 3.4Å; I582-I598 HydrophobicContact CD1-CG1 4.06Å; I582-I598 HydrophobicContact CG1-CD1 4.25Å; I582-I598 HydrophobicContact CG1-CG1 4.5Å; I594-I598 VanDerWaalsContact O-CG1 3.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.44Å; I594-I598 PolarHBondContact O-N 3.43Å; P595-I598 PolarHBondContact O-N 3.24Å; E596-I598 VanDerWaalsContact C-N 3.33Å; E596-I598 PolarHBondContact O-N 2.83Å; I598-F600 VanDerWaalsContact C-N 3.34Å; I598-F600 PolarHBondContact O-N 3.18Å; I598-R601 PolarHBondContact O-N 3.29Å; I598-T602 WeakPolarHBondContact O-CB 3.42Å; I598-T602 PolarHBondContact O-N 3.45Å; I598-T602 PolarHBondContact O-OG1 3.46Å
599	A	92.4	Very high	93.9	Very high	59 Å²	59	40.6 Å²	40.6	49%	0.488	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-43.1	176.8	0	0	0	0	0	111.7	P595 E596 T602 R603	P595-A599 WeakPolarHBondContact O-CB 3.4Å; P595-A599 PolarHBondContact O-N 3.43Å; E596-A599 PolarHBondContact O-N 3.05Å; A599-T602 PolarHBondContact O-N 3.2Å; A599-R603 VanDerWaalsContact O-CB 3.31Å; A599-R603 WeakPolarHBondContact O-CB 3.25Å; A599-R603 PolarHBondContact O-N 3.45Å
600	F	94.1	Very high	94.2	Very high	88 Å²	88	40.5 Å²	40.5	39%	0.386	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-47.2	175.4	179.4	-105.3	0	0	0	112.2	E596 I598 T602 R603 L604	E596-F600 WeakPolarHBondContact O-CB 2.99Å; E596-F600 PolarHBondContact O-N 3.2Å; I598-F600 VanDerWaalsContact C-N 3.34Å; I598-F600 PolarHBondContact O-N 3.18Å; F600-T602 VanDerWaalsContact C-N 3.34Å; F600-T602 PolarHBondContact O-N 2.89Å; F600-R603 PolarHBondContact O-N 3.32Å; F600-L604 HydrophobicContact CD1-CD1 4.1Å; F600-L604 HydrophobicContact CE1-CD1 3.41Å; F600-L604 VanDerWaalsContact CE1-CD1 3.41Å; F600-L604 HydrophobicContact CE1-CG 4.36Å; F600-L604 HydrophobicContact CE2-CD1 3.98Å; F600-L604 HydrophobicContact CE2-CG 4.27Å; F600-L604 HydrophobicContact CZ-CD1 3.35Å; F600-L604 HydrophobicContact CZ-CG 4.13Å; F600-L604 PolarHBondContact O-N 3.04Å
601	R	92.3	Very high	94.4	Very high	36 Å²	36	39 Å²	39	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-47.7	175.2	-171.7	177.1	66.8	169.8	2.3	111.4	T578 S579 F597 I598 L604 N605	T578-R601 HydrophobicContact CG2-CB 3.76Å; T578-R601 HydrophobicContact CG2-CG 4.21Å; S579-R601 PolarHBondContact OG-NH1 3.26Å; F597-R601 WeakPolarHBondContact O-CB 3.31Å; F597-R601 PolarHBondContact O-N 3.02Å; I598-R601 PolarHBondContact O-N 3.29Å; R601-L604 PolarHBondContact O-N 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.37Å
602	T	91.9	Very high	94.6	Very high	52 Å²	52	39.7 Å²	39.7	32%	0.319	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-44.7	179.3	-63.1	0	0	0	0	110.9	I598 A599 F600 L604 N605 Q606	I598-T602 WeakPolarHBondContact O-CB 3.42Å; I598-T602 PolarHBondContact O-N 3.45Å; I598-T602 PolarHBondContact O-OG1 3.46Å; A599-T602 PolarHBondContact O-N 3.2Å; F600-T602 VanDerWaalsContact C-N 3.34Å; F600-T602 PolarHBondContact O-N 2.89Å; T602-L604 VanDerWaalsContact C-N 3.33Å; T602-L604 PolarHBondContact O-N 2.82Å; T602-N605 PolarHBondContact O-N 3.46Å; T602-Q606 HydrophobicContact CG2-CG 4.37Å; T602-Q606 VanDerWaalsContact O-CB 3.31Å; T602-Q606 WeakPolarHBondContact O-CB 3.31Å; T602-Q606 VanDerWaalsContact O-CG 3.28Å; T602-Q606 WeakPolarHBondContact O-CG 3.44Å; T602-Q606 PolarHBondContact O-N 3.39Å
603	R	95.5	Very high	94.9	Very high	135 Å²	135	37.1 Å²	37.1	51%	0.509	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-40.8	176.8	-179.6	174.9	-179.4	173.8	1	112.7	A599 F600 Q606 S607 R654 N656	A599-R603 VanDerWaalsContact O-CB 3.31Å; A599-R603 WeakPolarHBondContact O-CB 3.25Å; A599-R603 PolarHBondContact O-N 3.45Å; F600-R603 PolarHBondContact O-N 3.32Å; R603-Q606 CarbonylContact O-C 3.56Å; R603-S607 PolarHBondContact O-N 2.95Å; R603-R654 HydrophobicContact CG-CB 4.29Å; R603-R654 HydrophobicContact CG-CG 4.27Å; R603-N656 PolarHBondContact NE-OD1 2.79Å; R603-N656 PolarHBondContact NH2-OD1 2.73Å; R603-N656 PolarHBondContact O-ND2 3.05Å
604	L	95.1	Very high	95	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-73.4	-39.5	177.1	-71.4	-177.1	0	0	0	112.7	D541 F570 N574 F600 R601 T602 Q606 S607	D541-L604 HydrophobicContact CB-CD2 4.31Å; D541-L604 WeakPolarHBondContact OD2-CD2 3.49Å; F570-L604 HydrophobicContact CZ-CD1 4.02Å; F570-L604 HydrophobicContact CZ-CD2 4.48Å; N574-L604 VanDerWaalsContact CG-CD1 3.43Å; N574-L604 WeakPolarHBondContact ND2-CD1 3.44Å; N574-L604 WeakPolarHBondContact OD1-CD1 3.41Å; F600-L604 HydrophobicContact CD1-CD1 4.1Å; F600-L604 HydrophobicContact CE1-CD1 3.41Å; F600-L604 VanDerWaalsContact CE1-CD1 3.41Å; F600-L604 HydrophobicContact CE1-CG 4.36Å; F600-L604 HydrophobicContact CE2-CD1 3.98Å; F600-L604 HydrophobicContact CE2-CG 4.27Å; F600-L604 HydrophobicContact CZ-CD1 3.35Å; F600-L604 HydrophobicContact CZ-CG 4.13Å; F600-L604 PolarHBondContact O-N 3.04Å; R601-L604 PolarHBondContact O-N 3.28Å; T602-L604 VanDerWaalsContact C-N 3.33Å; T602-L604 PolarHBondContact O-N 2.82Å; L604-Q606 PolarHBondContact O-N 3.16Å; L604-S607 VanDerWaalsContact O-CB 3.24Å; L604-S607 WeakPolarHBondContact O-CB 3.28Å; L604-S607 PolarHBondContact O-N 3.05Å; L604-S607 VanDerWaalsContact O-N 3.13Å
605	N	91.8	Very high	95.2	Very high	55 Å²	55	35.6 Å²	35.6	29%	0.294	17%	0.174	S	C	.	.	H	α-helix	trans	-65.9	-26.9	174.9	-75.1	-15.9	0	0	0	112.8	Q575 R601 T602	Q575-N605 WeakPolarHBondContact CG-OD1 3.45Å; Q575-N605 PolarHBondContact NE2-OD1 3.13Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.37Å; T602-N605 PolarHBondContact O-N 3.46Å
606	Q	95.4	Very high	95.3	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.192	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.2	175.9	-66.1	172.8	-19	0	0	112.7	T602 R603 L604 L608 P649 N652 M653 R654	T602-Q606 HydrophobicContact CG2-CG 4.37Å; T602-Q606 VanDerWaalsContact O-CB 3.31Å; T602-Q606 WeakPolarHBondContact O-CB 3.31Å; T602-Q606 VanDerWaalsContact O-CG 3.28Å; T602-Q606 WeakPolarHBondContact O-CG 3.44Å; T602-Q606 PolarHBondContact O-N 3.39Å; R603-Q606 CarbonylContact O-C 3.56Å; L604-Q606 PolarHBondContact O-N 3.16Å; Q606-L608 PolarHBondContact O-N 3.33Å; Q606-P649 HydrophobicContact CB-CG 4.22Å; Q606-P649 HydrophobicContact CG-CB 4.27Å; Q606-P649 HydrophobicContact CG-CG 4.08Å; Q606-N652 WeakPolarHBondContact CB-O 3.28Å; Q606-N652 PolarHBondContact OE1-O 3.2Å; Q606-M653 CarbonylContact O-C 3.54Å; Q606-M653 WeakPolarHBondContact O-CA 3.41Å; Q606-R654 HydrophobicContact CB-CG 4.21Å; Q606-R654 PolarHBondContact O-N 3Å
607	S	97.6	Very high	95.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-63	132.2	-178.9	171.8	0	0	0	0	111.8	D541 R603 L604 H609 F610 A611 R654	D541-S607 WeakPolarHBondContact OD1-CB 3.48Å; D541-S607 PolarHBondContact OD1-OG 2.96Å; R603-S607 PolarHBondContact O-N 2.95Å; L604-S607 VanDerWaalsContact O-CB 3.24Å; L604-S607 WeakPolarHBondContact O-CB 3.28Å; L604-S607 PolarHBondContact O-N 3.05Å; L604-S607 VanDerWaalsContact O-N 3.13Å; S607-H609 VanDerWaalsContact C-N 3.27Å; S607-H609 PolarHBondContact O-N 3.18Å; S607-H609 PolarHBondContact OG-N 3.08Å; S607-H609 VanDerWaalsContact OG-N 3.08Å; S607-F610 PolarHBondContact O-N 3.42Å; S607-F610 PolarHBondContact OG-N 3.23Å; S607-A611 PolarHBondContact O-N 3.28Å; S607-R654 WeakPolarHBondContact CA-O 3.33Å
608	L	97.8	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.6	-47.6	167.6	169	65.7	0	0	0	110.5	Q606 F610 A611 Q612 M653 R654 L681 E684 L688	Q606-L608 PolarHBondContact O-N 3.33Å; L608-F610 VanDerWaalsContact C-N 3.29Å; L608-F610 PolarHBondContact O-N 2.81Å; L608-A611 PolarHBondContact O-N 3.29Å; L608-Q612 HydrophobicContact CD1-CG 4.05Å; L608-Q612 HydrophobicContact CG-CG 4.35Å; L608-Q612 VanDerWaalsContact O-CG 3.3Å; L608-Q612 WeakPolarHBondContact O-CG 3.38Å; L608-Q612 PolarHBondContact O-N 3.02Å; L608-M653 HydrophobicContact CB-CG 3.93Å; L608-M653 HydrophobicContact CB-SD 4.02Å; L608-M653 HydrophobicContact CD1-CE 3.64Å; L608-M653 HydrophobicContact CD1-SD 3.53Å; L608-M653 VanDerWaalsContact CD1-SD 3.53Å; L608-M653 HydrophobicContact CG-SD 4.39Å; L608-R654 PolarHBondContact N-O 3.32Å; L608-L681 HydrophobicContact CD2-CD1 3.86Å; L608-E684 HydrophobicContact CD1-CB 4.44Å; L608-E684 HydrophobicContact CD2-CB 3.94Å; L608-L688 HydrophobicContact CD1-CD2 3.97Å
609	H	97.9	Very high	95.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-36	-177.3	-174.8	60.7	0	0	0	111.5	H540 Y545 T548 S567 S607 Q612 V613	H540-H609 PolarHBondContact O-CD2 3.48Å; H540-H609 PolarHBondContact O-NE2 2.89Å; Y545-H609 PolarHBondContact N-CE1 3.08Å; T548-H609 PolarHBondContact OG1-CE1 3.08Å; S567-H609 PolarHBondContact OG-NE2 3.16Å; S607-H609 VanDerWaalsContact C-N 3.27Å; S607-H609 PolarHBondContact O-N 3.18Å; S607-H609 PolarHBondContact OG-N 3.08Å; S607-H609 VanDerWaalsContact OG-N 3.08Å; H609-Q612 PolarHBondContact O-N 3.49Å; H609-V613 VanDerWaalsContact CE1-CG2 3.45Å; H609-V613 WeakPolarHBondContact CE1-CG2 3.43Å; H609-V613 WeakPolarHBondContact O-CB 3.41Å; H609-V613 VanDerWaalsContact O-CG2 3.26Å; H609-V613 WeakPolarHBondContact O-CG2 3.43Å; H609-V613 PolarHBondContact O-N 3.3Å
610	F	97.7	Very high	96.1	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.053	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-46.9	174.9	-177.4	-145.2	0	0	0	111.8	L568 F571 S607 L608 V613 R614	L568-F610 HydrophobicContact CD2-CD2 4.17Å; L568-F610 HydrophobicContact CD2-CE2 3.82Å; F571-F610 HydrophobicContact CB-CD2 3.54Å; F571-F610 HydrophobicContact CB-CE2 3.53Å; F571-F610 HydrophobicContact CB-CG 4.07Å; F571-F610 HydrophobicContact CB-CZ 4.05Å; F571-F610 HydrophobicContact CD1-CB 3.87Å; F571-F610 HydrophobicContact CD1-CD1 4.46Å; F571-F610 HydrophobicContact CD1-CD2 4.11Å; F571-F610 AromaticContact CD1-CG 3.9Å; F571-F610 HydrophobicContact CD1-CG 3.9Å; F571-F610 HydrophobicContact CD2-CB 3.9Å; F571-F610 AromaticContact CD2-CD2 3.33Å; F571-F610 HydrophobicContact CD2-CD2 3.33Å; F571-F610 HydrophobicContact CD2-CE2 4.12Å; F571-F610 AromaticContact CD2-CG 3.85Å; F571-F610 HydrophobicContact CD2-CG 3.85Å; F571-F610 HydrophobicContact CE1-CB 3.73Å; F571-F610 HydrophobicContact CE1-CG 4.29Å; F571-F610 HydrophobicContact CE2-CB 3.76Å; F571-F610 HydrophobicContact CE2-CD2 4.02Å; F571-F610 HydrophobicContact CE2-CG 4.24Å; F571-F610 HydrophobicContact CG-CB 3.97Å; F571-F610 HydrophobicContact CG-CD1 4.43Å; F571-F610 AromaticContact CG-CD2 3.39Å; F571-F610 HydrophobicContact CG-CD2 3.39Å; F571-F610 AromaticContact CG-CE2 3.96Å; F571-F610 HydrophobicContact CG-CE2 3.96Å; F571-F610 AromaticContact CG-CG 3.68Å; F571-F610 HydrophobicContact CG-CG 3.68Å; F571-F610 HydrophobicContact CZ-CB 3.68Å; F571-F610 HydrophobicContact CZ-CG 4.45Å; S607-F610 PolarHBondContact O-N 3.42Å; S607-F610 PolarHBondContact OG-N 3.23Å; L608-F610 VanDerWaalsContact C-N 3.29Å; L608-F610 PolarHBondContact O-N 2.81Å; F610-V613 PolarHBondContact O-N 2.78Å; F610-R614 WeakPolarHBondContact O-CB 3.28Å; F610-R614 PolarHBondContact O-N 3.36Å
611	A	97.5	Very high	96.1	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-44.6	177.6	0	0	0	0	0	111.7	S607 L608 R614 T615 I648 L688	S607-A611 PolarHBondContact O-N 3.28Å; L608-A611 PolarHBondContact O-N 3.29Å; A611-R614 PolarHBondContact O-N 2.92Å; A611-T615 PolarHBondContact O-N 2.92Å; A611-T615 PolarHBondContact O-OG1 3.35Å; A611-I648 HydrophobicContact CB-CG1 4.28Å; A611-I648 HydrophobicContact CB-CG2 4.11Å; A611-L688 HydrophobicContact CB-CD2 3.67Å
612	Q	97.7	Very high	96.2	Very high	21 Å²	21	25.2 Å²	25.2	10%	0.098	12%	0.117	C	C	.	.	H	α-helix	trans	-58	-50.8	175.7	-71.1	179.5	-30.2	0	0	112.5	L608 H609 R614 T615 E616 E684 L688	L608-Q612 HydrophobicContact CD1-CG 4.05Å; L608-Q612 HydrophobicContact CG-CG 4.35Å; L608-Q612 VanDerWaalsContact O-CG 3.3Å; L608-Q612 WeakPolarHBondContact O-CG 3.38Å; L608-Q612 PolarHBondContact O-N 3.02Å; H609-Q612 PolarHBondContact O-N 3.49Å; Q612-R614 VanDerWaalsContact C-N 3.34Å; Q612-R614 PolarHBondContact O-N 3.37Å; Q612-T615 PolarHBondContact O-N 3.46Å; Q612-E616 WeakPolarHBondContact O-CB 2.99Å; Q612-E616 WeakPolarHBondContact O-CG 3.27Å; Q612-E616 PolarHBondContact O-N 2.91Å; Q612-E684 PolarHBondContact NE2-OE2 3.27Å; Q612-L688 HydrophobicContact CG-CB 4.5Å; Q612-L688 HydrophobicContact CG-CD1 4.1Å; Q612-L688 HydrophobicContact CG-CD2 4.25Å
613	V	97.7	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-40.7	-178.2	172.1	0	0	0	0	111.4	T548 C564 L568 H609 F610 R617	T548-V613 HydrophobicContact CG2-CG2 3.85Å; C564-V613 HydrophobicContact CB-CG1 3.74Å; C564-V613 WeakPolarHBondContact O-CG1 3.43Å; L568-V613 HydrophobicContact CD1-CG1 4.3Å; L568-V613 HydrophobicContact CD2-CG1 3.91Å; L568-V613 HydrophobicContact CG-CG1 3.65Å; H609-V613 VanDerWaalsContact CE1-CG2 3.45Å; H609-V613 WeakPolarHBondContact CE1-CG2 3.43Å; H609-V613 WeakPolarHBondContact O-CB 3.41Å; H609-V613 VanDerWaalsContact O-CG2 3.26Å; H609-V613 WeakPolarHBondContact O-CG2 3.43Å; H609-V613 PolarHBondContact O-N 3.3Å; F610-V613 PolarHBondContact O-N 2.78Å; V613-R617 WeakPolarHBondContact O-CB 3.33Å; V613-R617 PolarHBondContact O-N 3.49Å
614	R	96.2	Very high	96.2	Very high	35 Å²	35	18.3 Å²	18.3	13%	0.132	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-50.7	176.9	-177	178.6	63.1	-161.9	-5.5	110.9	L568 F610 A611 Q612 R617 M618 D647	L568-R614 HydrophobicContact CD2-CB 4.29Å; F610-R614 WeakPolarHBondContact O-CB 3.28Å; F610-R614 PolarHBondContact O-N 3.36Å; A611-R614 PolarHBondContact O-N 2.92Å; Q612-R614 VanDerWaalsContact C-N 3.34Å; Q612-R614 PolarHBondContact O-N 3.37Å; R614-R617 PolarHBondContact O-N 3.14Å; R614-M618 HydrophobicContact CG-CE 3.96Å; R614-M618 HydrophobicContact CG-SD 4.22Å; R614-M618 WeakPolarHBondContact O-CG 3.37Å; R614-M618 PolarHBondContact O-N 3.01Å; R614-M618 VanDerWaalsContact O-N 3.13Å; R614-D647 IonicContact CZ-OD1 3.4Å; R614-D647 IonicContact CZ-OD2 3.61Å; R614-D647 IonicContact NE-OD1 2.63Å; R614-D647 IonicContact NE-OD2 2.92Å; R614-D647 IonicContact NH1-OD1 2.75Å; R614-D647 PolarHBondContact NH1-OD1 3.3Å; R614-D647 IonicContact NH1-OD2 3.76Å; R614-D647 PolarHBondContact NH1-OD2 3.34Å; R614-D647 VanDerWaalsContact NH2-C 3.34Å; R614-D647 VanDerWaalsContact NH2-CG 3.3Å; R614-D647 PolarHBondContact NH2-O 2.8Å; R614-D647 IonicContact NH2-OD1 3.23Å; R614-D647 PolarHBondContact NH2-OD1 2.9Å; R614-D647 IonicContact NH2-OD2 2.68Å
615	T	96.9	Very high	95.9	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-47.5	-179.9	-61.1	0	0	0	0	112	A611 Q612 R617 M618 L619 L688 R691 L695	A611-T615 PolarHBondContact O-N 2.92Å; A611-T615 PolarHBondContact O-OG1 3.35Å; Q612-T615 PolarHBondContact O-N 3.46Å; T615-R617 PolarHBondContact O-N 2.98Å; T615-M618 PolarHBondContact O-N 2.95Å; T615-L619 HydrophobicContact CG2-CD1 4Å; T615-L619 WeakPolarHBondContact O-CG 3.27Å; T615-L619 PolarHBondContact O-N 3.26Å; T615-L688 HydrophobicContact CG2-CD1 4.48Å; T615-R691 HydrophobicContact CG2-CB 3.88Å; T615-L695 HydrophobicContact CG2-CD2 4.41Å
616	E	96.8	Very high	95.8	Very high	43 Å²	43	20 Å²	20	20%	0.201	10%	0.095	C	C	.	.	H	α-helix	trans	-68.8	-33.7	-179.9	-68.7	-56.4	144	0	0	112.3	Q612 L620 R691	Q612-E616 WeakPolarHBondContact O-CB 2.99Å; Q612-E616 WeakPolarHBondContact O-CG 3.27Å; Q612-E616 PolarHBondContact O-N 2.91Å; E616-L620 WeakPolarHBondContact O-CB 3.25Å; E616-L620 PolarHBondContact O-N 3.28Å; E616-R691 WeakPolarHBondContact OE1-CG 3.25Å; E616-R691 IonicContact OE1-CZ 3.48Å; E616-R691 IonicContact OE1-NE 2.84Å; E616-R691 PolarHBondContact OE1-NE 3.45Å; E616-R691 IonicContact OE1-NH2 3.64Å; E616-R691 IonicContact OE2-CZ 3.99Å; E616-R691 IonicContact OE2-NE 3.89Å; E616-R691 IonicContact OE2-NH2 3.21Å; E616-R691 PolarHBondContact OE2-NH2 2.93Å
617	R	97	Very high	95.3	Very high	32 Å²	32	20.5 Å²	20.5	12%	0.121	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-47.7	173.2	-175.7	72.4	-167	110.6	13	111.1	S561 C564 N565 L568 V613 R614 T615 L620 D621	S561-R617 VanDerWaalsContact CB-NH1 3.33Å; S561-R617 VanDerWaalsContact OG-CZ 3.26Å; S561-R617 PolarHBondContact OG-NH1 3.14Å; C564-R617 HydrophobicContact CB-CB 4Å; C564-R617 HydrophobicContact CB-CG 4.34Å; N565-R617 PolarHBondContact OD1-NE 3Å; N565-R617 VanDerWaalsContact OD1-NE 3.14Å; L568-R617 HydrophobicContact CD1-CB 3.9Å; L568-R617 HydrophobicContact CD1-CG 3.77Å; V613-R617 WeakPolarHBondContact O-CB 3.33Å; V613-R617 PolarHBondContact O-N 3.49Å; R614-R617 PolarHBondContact O-N 3.14Å; T615-R617 PolarHBondContact O-N 2.98Å; R617-L620 PolarHBondContact O-N 3.13Å; R617-D621 VanDerWaalsContact CZ-CG 3.45Å; R617-D621 IonicContact CZ-OD1 2.72Å; R617-D621 IonicContact CZ-OD2 3.16Å; R617-D621 VanDerWaalsContact CZ-OD2 3.23Å; R617-D621 IonicContact NE-OD1 2.85Å; R617-D621 IonicContact NE-OD2 3.57Å; R617-D621 IonicContact NH1-OD1 3.7Å; R617-D621 PolarHBondContact NH1-OD1 3.2Å; R617-D621 IonicContact NH1-OD2 2.91Å; R617-D621 IonicContact NH2-OD1 3.7Å; R617-D621 PolarHBondContact NH2-OD1 2.76Å; R617-D621 IonicContact NH2-OD2 3.67Å; R617-D621 PolarHBondContact NH2-OD2 3.41Å; R617-D621 PolarHBondContact O-N 3.28Å
618	M	96.2	Very high	94.6	Very high	43 Å²	43	23.1 Å²	23.1	21%	0.212	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-45.8	179.5	-71	172.1	170.4	0	0	111.5	R614 T615 L620 D621 L622 M639 V641 L695	R614-M618 HydrophobicContact CG-CE 3.96Å; R614-M618 HydrophobicContact CG-SD 4.22Å; R614-M618 WeakPolarHBondContact O-CG 3.37Å; R614-M618 PolarHBondContact O-N 3.01Å; R614-M618 VanDerWaalsContact O-N 3.13Å; T615-M618 PolarHBondContact O-N 2.95Å; M618-L620 VanDerWaalsContact C-N 3.35Å; M618-L620 PolarHBondContact O-N 3.26Å; M618-D621 PolarHBondContact O-N 2.95Å; M618-L622 WeakPolarHBondContact O-CG 3.42Å; M618-L622 PolarHBondContact O-N 3.38Å; M618-M639 HydrophobicContact CB-SD 3.87Å; M618-M639 HydrophobicContact CG-SD 3.94Å; M618-V641 HydrophobicContact CE-CG2 4.32Å; M618-V641 HydrophobicContact SD-CG2 3.93Å; M618-L695 HydrophobicContact CB-CD1 4.02Å; M618-L695 HydrophobicContact CB-CD2 3.77Å; M618-L695 HydrophobicContact CG-CD2 4.4Å; M618-L695 HydrophobicContact SD-CD2 3.72Å
619	L	97.3	Very high	93.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-42.1	176.1	-76	172.3	0	0	0	111.9	T615 D621 L622 Y623 R691 T694 L695 L698	T615-L619 HydrophobicContact CG2-CD1 4Å; T615-L619 WeakPolarHBondContact O-CG 3.27Å; T615-L619 PolarHBondContact O-N 3.26Å; L619-D621 PolarHBondContact O-N 3.39Å; L619-L622 WeakPolarHBondContact O-CB 3.23Å; L619-L622 PolarHBondContact O-N 3Å; L619-Y623 HydrophobicContact CB-CD2 4.36Å; L619-Y623 HydrophobicContact CB-CE2 3.9Å; L619-Y623 HydrophobicContact CD2-CE2 4.45Å; L619-Y623 WeakPolarHBondContact O-CD2 3.12Å; L619-Y623 VanDerWaalsContact O-CG 3.29Å; L619-Y623 PolarHBondContact O-N 3.03Å; L619-R691 HydrophobicContact CD1-CB 4Å; L619-T694 HydrophobicContact CD2-CG2 4.46Å; L619-L695 HydrophobicContact CD2-CB 3.86Å; L619-L695 HydrophobicContact CD2-CD1 4.03Å; L619-L695 HydrophobicContact CG-CB 4.15Å; L619-L695 HydrophobicContact CG-CD1 4.32Å; L619-L698 HydrophobicContact CD2-CD1 4.19Å
620	L	96.6	Very high	93.1	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177.7	-175.5	63.4	0	0	0	111.6	F557 A560 E616 R617 M618 L622 Y623 T624	F557-L620 HydrophobicContact CB-CD1 3.98Å; F557-L620 HydrophobicContact CD1-CD1 3.57Å; F557-L620 HydrophobicContact CE1-CD1 4.43Å; F557-L620 HydrophobicContact CG-CD1 4.09Å; A560-L620 HydrophobicContact CB-CD2 3.79Å; E616-L620 WeakPolarHBondContact O-CB 3.25Å; E616-L620 PolarHBondContact O-N 3.28Å; R617-L620 PolarHBondContact O-N 3.13Å; M618-L620 VanDerWaalsContact C-N 3.35Å; M618-L620 PolarHBondContact O-N 3.26Å; L620-L622 VanDerWaalsContact C-N 3.31Å; L620-L622 PolarHBondContact O-N 3.35Å; L620-Y623 PolarHBondContact O-N 3.31Å; L620-T624 HydrophobicContact CD1-CG2 4Å; L620-T624 HydrophobicContact CG-CG2 4.45Å; L620-T624 WeakPolarHBondContact O-CG2 3.47Å; L620-T624 PolarHBondContact O-N 2.93Å; L620-T624 PolarHBondContact O-OG1 2.91Å
621	D	94.4	Very high	92.7	Very high	32 Å²	32	33.3 Å²	33.3	17%	0.171	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-37.5	177	-74.1	-16.5	0	0	0	112	R617 M618 L619 E625	R617-D621 VanDerWaalsContact CZ-CG 3.45Å; R617-D621 IonicContact CZ-OD1 2.72Å; R617-D621 IonicContact CZ-OD2 3.16Å; R617-D621 VanDerWaalsContact CZ-OD2 3.23Å; R617-D621 IonicContact NE-OD1 2.85Å; R617-D621 IonicContact NE-OD2 3.57Å; R617-D621 IonicContact NH1-OD1 3.7Å; R617-D621 PolarHBondContact NH1-OD1 3.2Å; R617-D621 IonicContact NH1-OD2 2.91Å; R617-D621 IonicContact NH2-OD1 3.7Å; R617-D621 PolarHBondContact NH2-OD1 2.76Å; R617-D621 IonicContact NH2-OD2 3.67Å; R617-D621 PolarHBondContact NH2-OD2 3.41Å; R617-D621 PolarHBondContact O-N 3.28Å; M618-D621 PolarHBondContact O-N 2.95Å; L619-D621 PolarHBondContact O-N 3.39Å; D621-E625 WeakPolarHBondContact O-CB 3.5Å; D621-E625 PolarHBondContact O-N 3.22Å
622	L	95.5	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-52.7	170.4	-68.7	-178.3	0	0	0	111.1	M618 L619 L620 T624 A626 L632 V636 M639 L695 L698 W854 R965	M618-L622 WeakPolarHBondContact O-CG 3.42Å; M618-L622 PolarHBondContact O-N 3.38Å; L619-L622 WeakPolarHBondContact O-CB 3.23Å; L619-L622 PolarHBondContact O-N 3Å; L620-L622 VanDerWaalsContact C-N 3.31Å; L620-L622 PolarHBondContact O-N 3.35Å; L622-T624 VanDerWaalsContact C-N 3.29Å; L622-T624 PolarHBondContact O-N 3.17Å; L622-A626 HydrophobicContact CD2-CB 3.98Å; L622-A626 VanDerWaalsContact O-CB 3.28Å; L622-A626 WeakPolarHBondContact O-CB 3.34Å; L622-A626 PolarHBondContact O-N 3.4Å; L622-A626 VanDerWaalsContact O-N 3.17Å; L622-L632 HydrophobicContact CD2-CD1 3.78Å; L622-V636 HydrophobicContact CD2-CG2 4.26Å; L622-M639 HydrophobicContact CD1-CE 4.18Å; L622-M639 HydrophobicContact CD2-CE 3.37Å; L622-M639 HydrophobicContact CG-CE 3.67Å; L622-L695 HydrophobicContact CD1-CD1 3.66Å; L622-L698 HydrophobicContact CD1-CB 4.4Å; L622-L698 HydrophobicContact CD1-CD1 4.14Å; L622-W854 HydrophobicContact CB-CH2 3.84Å; L622-W854 HydrophobicContact CB-CZ2 4.36Å; L622-W854 VanDerWaalsContact O-CZ2 3.23Å; L622-W854 WeakPolarHBondContact O-CZ2 3.4Å; L622-R965 PolarHBondContact O-NH2 3.32Å
623	Y	95.2	Very high	91.9	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-34	-176.7	-65.2	-45.5	0	0	0	113.1	L619 L620 E847 C850 V851 W854 L961 R965	L619-Y623 HydrophobicContact CB-CD2 4.36Å; L619-Y623 HydrophobicContact CB-CE2 3.9Å; L619-Y623 HydrophobicContact CD2-CE2 4.45Å; L619-Y623 WeakPolarHBondContact O-CD2 3.12Å; L619-Y623 VanDerWaalsContact O-CG 3.29Å; L619-Y623 PolarHBondContact O-N 3.03Å; L620-Y623 PolarHBondContact O-N 3.31Å; Y623-E847 HydrophobicContact CD2-CG 4.14Å; Y623-E847 HydrophobicContact CE1-CB 4.26Å; Y623-E847 HydrophobicContact CE2-CB 4.24Å; Y623-E847 HydrophobicContact CE2-CG 3.9Å; Y623-C850 HydrophobicContact CD1-CB 3.65Å; Y623-C850 HydrophobicContact CE1-CB 4.13Å; Y623-V851 HydrophobicContact CE1-CG2 4.21Å; Y623-W854 AromaticContact CD1-CH2 3.57Å; Y623-W854 HydrophobicContact CD1-CH2 3.57Å; Y623-W854 AromaticContact CD1-CZ3 3.84Å; Y623-W854 HydrophobicContact CD1-CZ3 3.84Å; Y623-W854 HydrophobicContact CE1-CH2 4.03Å; Y623-W854 AromaticContact CE1-CZ3 3.81Å; Y623-W854 HydrophobicContact CE1-CZ3 3.81Å; Y623-L961 VanDerWaalsContact O-CD1 3.28Å; Y623-L961 WeakPolarHBondContact O-CD1 3.22Å; Y623-R965 PolarHBondContact O-NH2 2.91Å
624	T	92.3	Very high	91.5	Very high	36 Å²	36	39.8 Å²	39.8	22%	0.221	21%	0.208	C	C	.	.	H	α-helix	trans	-94.7	-31.9	-175.6	58.6	0	0	0	0	114.2	F557 L620 L622	F557-T624 HydrophobicContact CB-CG2 4.22Å; F557-T624 HydrophobicContact CG-CG2 4.43Å; L620-T624 HydrophobicContact CD1-CG2 4Å; L620-T624 HydrophobicContact CG-CG2 4.45Å; L620-T624 WeakPolarHBondContact O-CG2 3.47Å; L620-T624 PolarHBondContact O-N 2.93Å; L620-T624 PolarHBondContact O-OG1 2.91Å; L622-T624 VanDerWaalsContact C-N 3.29Å; L622-T624 PolarHBondContact O-N 3.17Å
625	E	89.1	Confident	91.2	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	21%	0.205	S	C	.	.	H	α-helix	trans	-116.1	-32.5	-169.6	-55.4	-172.3	176.2	0	0	114.8	D621 V628 T629	D621-E625 WeakPolarHBondContact O-CB 3.5Å; D621-E625 PolarHBondContact O-N 3.22Å; E625-V628 WeakPolarHBondContact O-CB 3.38Å; E625-V628 PolarHBondContact O-N 2.55Å; E625-V628 VanDerWaalsContact O-N 3.08Å; E625-T629 PolarHBondContact O-N 3.37Å
626	A	89.1	Confident	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-67.6	137.7	-177	0	0	0	0	0	111.4	L622 V628 L630 L632 W854 R965	L622-A626 HydrophobicContact CD2-CB 3.98Å; L622-A626 VanDerWaalsContact O-CB 3.28Å; L622-A626 WeakPolarHBondContact O-CB 3.34Å; L622-A626 PolarHBondContact O-N 3.4Å; L622-A626 VanDerWaalsContact O-N 3.17Å; A626-V628 PolarHBondContact O-N 3Å; A626-V628 VanDerWaalsContact O-N 3.13Å; A626-L630 CarbonylContact C-O 3.56Å; A626-L632 HydrophobicContact CB-CD1 4.05Å; A626-W854 HydrophobicContact CB-CZ2 4.01Å; A626-R965 VanDerWaalsContact O-CZ 3.22Å; A626-R965 PolarHBondContact O-NH1 3.46Å; A626-R965 PolarHBondContact O-NH2 2.94Å
627	D	84.9	Confident	90.4	Very high	52 Å²	52	42.6 Å²	42.6	28%	0.278	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	15.6	-168.6	-66.4	-15.3	0	0	0	115.1	L630 S631 L632 W854	D627-L630 WeakPolarHBondContact CA-O 3.3Å; D627-L630 PolarHBondContact N-O 3.42Å; D627-S631 WeakPolarHBondContact OD1-CA 3.45Å; D627-L632 PolarHBondContact OD1-N 2.88Å; D627-W854 PolarHBondContact OD2-NE1 3.45Å
628	V	82	Confident	89.9	Confident	57 Å²	57	45 Å²	45	35%	0.345	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-49.5	169.7	-179.2	0	0	0	0	109.7	E625 A626 K964	E625-V628 WeakPolarHBondContact O-CB 3.38Å; E625-V628 PolarHBondContact O-N 2.55Å; E625-V628 VanDerWaalsContact O-N 3.08Å; A626-V628 PolarHBondContact O-N 3Å; A626-V628 VanDerWaalsContact O-N 3.13Å; V628-K964 HydrophobicContact CG1-CD 4.13Å; V628-K964 HydrophobicContact CG2-CB 4.29Å
629	T	80.6	Confident	89.4	Confident	108 Å²	108	45 Å²	45	66%	0.663	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-45.7	-179.6	-54.8	0	0	0	0	112.1	E625	E625-T629 PolarHBondContact O-N 3.37Å
630	L	84.6	Confident	88.8	Confident	76 Å²	76	48 Å²	48	40%	0.398	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-121.9	156.6	176.6	-64	176.6	0	0	0	109.1	A626 D627 E634	A626-L630 CarbonylContact C-O 3.56Å; D627-L630 WeakPolarHBondContact CA-O 3.3Å; D627-L630 PolarHBondContact N-O 3.42Å; L630-E634 HydrophobicContact CB-CB 4.13Å
631	S	88.8	Confident	88.4	Confident	44 Å²	44	48.4 Å²	48.4	31%	0.308	28%	0.282	S	S	.	.			trans	-64.3	154.6	169.6	61.9	0	0	0	0	111.1	D627 E633 E634 S635	D627-S631 WeakPolarHBondContact OD1-CA 3.45Å; S631-E633 PolarHBondContact O-N 3.29Å; S631-E633 VanDerWaalsContact O-N 3.17Å; S631-E634 PolarHBondContact N-OE2 3.2Å; S631-E634 PolarHBondContact O-N 3.33Å; S631-E634 VanDerWaalsContact O-N 3.1Å; S631-E634 WeakPolarHBondContact OG-CB 3.3Å; S631-E634 VanDerWaalsContact OG-CD 3.22Å; S631-E634 VanDerWaalsContact OG-CG 3.24Å; S631-E634 WeakPolarHBondContact OG-CG 3.47Å; S631-E634 PolarHBondContact OG-N 3.37Å; S631-E634 PolarHBondContact OG-OE2 3.06Å; S631-S635 PolarHBondContact O-N 3.17Å; S631-S635 PolarHBondContact O-OG 3.34Å
632	L	90	Very high	88	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-50.8	-40	174.7	-179.9	64.6	0	0	0	112.8	L622 A626 D627 S635 V636 A702 W854	L622-L632 HydrophobicContact CD2-CD1 3.78Å; A626-L632 HydrophobicContact CB-CD1 4.05Å; D627-L632 PolarHBondContact OD1-N 2.88Å; L632-S635 PolarHBondContact O-N 2.85Å; L632-V636 HydrophobicContact CD1-CG2 4.28Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 VanDerWaalsContact O-CG2 3.28Å; L632-V636 WeakPolarHBondContact O-CG2 3.41Å; L632-V636 PolarHBondContact O-N 3.19Å; L632-A702 HydrophobicContact CD2-CB 4.02Å; L632-A702 HydrophobicContact CG-CB 3.81Å; L632-W854 HydrophobicContact CD1-CD2 4.31Å; L632-W854 HydrophobicContact CD2-CB 4.01Å; L632-W854 HydrophobicContact CD2-CD2 4.35Å; L632-W854 HydrophobicContact CD2-CG 3.86Å
633	E	89.3	Confident	87.5	Confident	42 Å²	42	49.7 Å²	49.7	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-46	178.1	-175	-176.7	169.6	0	0	112.4	S631 S635 V636 K637 H706	S631-E633 PolarHBondContact O-N 3.29Å; S631-E633 VanDerWaalsContact O-N 3.17Å; E633-S635 VanDerWaalsContact C-N 3.35Å; E633-V636 PolarHBondContact O-N 3.44Å; E633-K637 HydrophobicContact CG-CD 4.29Å; E633-K637 WeakPolarHBondContact O-CB 3.07Å; E633-K637 WeakPolarHBondContact O-CG 3.36Å; E633-K637 PolarHBondContact O-N 3.3Å; E633-K637 WeakPolarHBondContact OE1-CE 3.23Å; E633-K637 IonicContact OE1-NZ 3.24Å; E633-K637 PolarHBondContact OE1-NZ 3.33Å; E633-H706 IonicContact OE2-CD2 3.84Å
634	E	88.8	Confident	87.1	Confident	103 Å²	103	54.7 Å²	54.7	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-40.6	177.7	-72.7	164.3	147.9	0	0	111.5	L630 S631 K637 A638	L630-E634 HydrophobicContact CB-CB 4.13Å; S631-E634 PolarHBondContact N-OE2 3.2Å; S631-E634 PolarHBondContact O-N 3.33Å; S631-E634 VanDerWaalsContact O-N 3.1Å; S631-E634 WeakPolarHBondContact OG-CB 3.3Å; S631-E634 VanDerWaalsContact OG-CD 3.22Å; S631-E634 VanDerWaalsContact OG-CG 3.24Å; S631-E634 WeakPolarHBondContact OG-CG 3.47Å; S631-E634 PolarHBondContact OG-N 3.37Å; S631-E634 PolarHBondContact OG-OE2 3.06Å; E634-K637 PolarHBondContact O-N 3.21Å; E634-A638 VanDerWaalsContact O-CB 3.3Å; E634-A638 WeakPolarHBondContact O-CB 3.41Å; E634-A638 PolarHBondContact O-N 3.04Å
635	S	90	Very high	86.8	Confident	12 Å²	12	60.1 Å²	60.1	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-47.9	174.8	-65.4	0	0	0	0	111.9	S631 L632 E633 K637 A638 M639	S631-S635 PolarHBondContact O-N 3.17Å; S631-S635 PolarHBondContact O-OG 3.34Å; L632-S635 PolarHBondContact O-N 2.85Å; E633-S635 VanDerWaalsContact C-N 3.35Å; S635-K637 PolarHBondContact O-N 2.97Å; S635-A638 PolarHBondContact O-N 3.48Å; S635-M639 WeakPolarHBondContact O-CE 3.27Å; S635-M639 WeakPolarHBondContact O-CG 3.46Å; S635-M639 PolarHBondContact O-N 3.1Å; S635-M639 VanDerWaalsContact O-N 3.12Å
636	V	90.5	Very high	86.6	Confident	3 Å²	3	58 Å²	58	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-42.9	178.3	167.7	0	0	0	0	111.4	L622 L632 E633 M639 G640 V641 A699 A702	L622-V636 HydrophobicContact CD2-CG2 4.26Å; L632-V636 HydrophobicContact CD1-CG2 4.28Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 VanDerWaalsContact O-CG2 3.28Å; L632-V636 WeakPolarHBondContact O-CG2 3.41Å; L632-V636 PolarHBondContact O-N 3.19Å; E633-V636 PolarHBondContact O-N 3.44Å; V636-M639 HydrophobicContact CG2-CE 4.49Å; V636-M639 PolarHBondContact O-N 3.11Å; V636-G640 PolarHBondContact O-N 3.16Å; V636-V641 HydrophobicContact CG1-CB 4.35Å; V636-V641 PolarHBondContact O-N 3Å; V636-A699 HydrophobicContact CG1-CB 3.7Å; V636-A699 HydrophobicContact CG2-CB 4.38Å; V636-A702 HydrophobicContact CB-CB 4.23Å; V636-A702 HydrophobicContact CG2-CB 3.9Å
637	K	86.9	Confident	86.4	Confident	126 Å²	126	63.2 Å²	63.2	55%	0.548	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-43.6	175.8	-76.1	177.9	-175.6	170.8	0	112.2	E633 E634 S635 M639 G640	E633-K637 HydrophobicContact CG-CD 4.29Å; E633-K637 WeakPolarHBondContact O-CB 3.07Å; E633-K637 WeakPolarHBondContact O-CG 3.36Å; E633-K637 PolarHBondContact O-N 3.3Å; E633-K637 WeakPolarHBondContact OE1-CE 3.23Å; E633-K637 IonicContact OE1-NZ 3.24Å; E633-K637 PolarHBondContact OE1-NZ 3.33Å; E634-K637 PolarHBondContact O-N 3.21Å; S635-K637 PolarHBondContact O-N 2.97Å; K637-M639 PolarHBondContact O-N 2.84Å; K637-G640 PolarHBondContact O-N 2.99Å; K637-G640 VanDerWaalsContact O-N 3.1Å
638	A	85	Confident	86.8	Confident	83 Å²	83	61.2 Å²	61.2	69%	0.686	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-31.1	179.4	0	0	0	0	0	112.7	E634 S635	E634-A638 VanDerWaalsContact O-CB 3.3Å; E634-A638 WeakPolarHBondContact O-CB 3.41Å; E634-A638 PolarHBondContact O-N 3.04Å; S635-A638 PolarHBondContact O-N 3.48Å
639	M	87.5	Confident	87.3	Confident	43 Å²	43	60.5 Å²	60.5	21%	0.212	34%	0.344	C	S	.	.	H	α-helix	trans	-83.3	-10.2	176.1	-66.2	-175.6	-68.6	0	0	114	M618 L622 S635 V636 K637 V641	M618-M639 HydrophobicContact CB-SD 3.87Å; M618-M639 HydrophobicContact CG-SD 3.94Å; L622-M639 HydrophobicContact CD1-CE 4.18Å; L622-M639 HydrophobicContact CD2-CE 3.37Å; L622-M639 HydrophobicContact CG-CE 3.67Å; S635-M639 WeakPolarHBondContact O-CE 3.27Å; S635-M639 WeakPolarHBondContact O-CG 3.46Å; S635-M639 PolarHBondContact O-N 3.1Å; S635-M639 VanDerWaalsContact O-N 3.12Å; V636-M639 HydrophobicContact CG2-CE 4.49Å; V636-M639 PolarHBondContact O-N 3.11Å; K637-M639 PolarHBondContact O-N 2.84Å; M639-V641 VanDerWaalsContact C-N 3.29Å; M639-V641 HydrophobicContact CB-CG2 3.83Å; M639-V641 PolarHBondContact O-N 2.77Å
640	G	84.4	Confident	87.9	Confident	62 Å²	62	58.6 Å²	58.6	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	25.1	-178.6	0	0	0	0	0	114.4	V636 K637 C642	V636-G640 PolarHBondContact O-N 3.16Å; K637-G640 PolarHBondContact O-N 2.99Å; K637-G640 VanDerWaalsContact O-N 3.1Å; G640-C642 PolarHBondContact O-N 2.95Å
641	V	87.1	Confident	88.3	Confident	24 Å²	24	62.3 Å²	62.3	15%	0.145	35%	0.346	C	S	.	.			trans	-76.4	116.1	-177.5	-178.1	0	0	0	0	110.2	M618 V636 M639 L695 A699	M618-V641 HydrophobicContact CE-CG2 4.32Å; M618-V641 HydrophobicContact SD-CG2 3.93Å; V636-V641 HydrophobicContact CG1-CB 4.35Å; V636-V641 PolarHBondContact O-N 3Å; M639-V641 VanDerWaalsContact C-N 3.29Å; M639-V641 HydrophobicContact CB-CG2 3.83Å; M639-V641 PolarHBondContact O-N 2.77Å; V641-L695 HydrophobicContact CG1-CG 4.41Å; V641-A699 HydrophobicContact CB-CB 4.24Å; V641-A699 HydrophobicContact CG1-CB 3.64Å
642	C	85.5	Confident	88.4	Confident	49 Å²	49	64.4 Å²	64.4	33%	0.331	35%	0.353	S	S	.	.			trans	-96.6	123.9	171.8	-175.7	0	0	0	0	110	G640 E644 E645	G640-C642 PolarHBondContact O-N 2.95Å; C642-E644 PolarHBondContact O-N 3.38Å; C642-E645 HydrophobicContact CB-CB 4.11Å; C642-E645 HydrophobicContact CB-CG 4.46Å; C642-E645 VanDerWaalsContact O-O 3.07Å
643	P	86.9	Confident	88.6	Confident	10 Å²	10	64.8 Å²	64.8	7%	0.065	36%	0.355	C	S	.	.	S	Bend	trans	-68.1	-22.5	179.5	-21.1	31.7	0	0	0	114.6	R696 A699 S700 L703 T727 L731	P643-R696 PolarHBondContact O-NE 2.92Å; P643-R696 PolarHBondContact O-NH2 3.05Å; P643-A699 HydrophobicContact CG-CB 3.9Å; P643-S700 WeakPolarHBondContact CB-OG 3.49Å; P643-L703 HydrophobicContact CG-CD1 3.82Å; P643-T727 HydrophobicContact CB-CG2 4.27Å; P643-L731 HydrophobicContact CB-CD1 4.35Å
644	E	85.8	Confident	88.9	Confident	113 Å²	113	69 Å²	69	53%	0.528	37%	0.369	S	S	.	.	S	Bend	trans	-86.9	-31.4	-176.7	-67.4	177.4	-175	0	0	112.1	C642 R696 T727	C642-E644 PolarHBondContact O-N 3.38Å; E644-R696 PolarHBondContact O-NH2 3.03Å; E644-R696 VanDerWaalsContact O-NH2 3.08Å; E644-T727 HydrophobicContact CG-CG2 3.54Å; E644-T727 PolarHBondContact OE1-OG1 3.38Å; E644-T727 VanDerWaalsContact OE1-OG1 3.05Å
645	E	85.6	Confident	89.3	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	36%	0.356	S	S	*	.			trans	-97.8	132.9	-176.5	-61.6	179.3	173.9	0	0	110.9	C642	C642-E645 HydrophobicContact CB-CB 4.11Å; C642-E645 HydrophobicContact CB-CG 4.46Å; C642-E645 VanDerWaalsContact O-O 3.07Å
646	D	84.9	Confident	89.6	Confident	49 Å²	49	66 Å²	66	26%	0.262	36%	0.356	S	S	.	.			trans	-115.9	117.7	173.6	-158.3	-24	0	0	0	108.6	I648 W650 K689 R696	D646-I648 VanDerWaalsContact C-N 3.34Å; D646-I648 WeakPolarHBondContact OD1-CB 3.27Å; D646-I648 WeakPolarHBondContact OD1-CG1 3.4Å; D646-I648 PolarHBondContact OD1-N 2.83Å; D646-I648 VanDerWaalsContact OD1-N 3.14Å; D646-W650 VanDerWaalsContact CG-NE1 3.35Å; D646-W650 PolarHBondContact OD2-NE1 3.21Å; D646-K689 IonicContact OD2-NZ 3.27Å; D646-R696 IonicContact OD2-NH1 3.5Å; D646-R696 PolarHBondContact OD2-NH1 3.46Å; D646-R696 VanDerWaalsContact OD2-NH1 3.15Å
647	D	85.7	Confident	90	Very high	109 Å²	109	66.6 Å²	66.6	58%	0.583	36%	0.358	S	S	*	.			trans	-97	14.7	-179.8	67.5	-15.7	0	0	0	112.2	R614	R614-D647 IonicContact CZ-OD1 3.4Å; R614-D647 IonicContact CZ-OD2 3.61Å; R614-D647 IonicContact NE-OD1 2.63Å; R614-D647 IonicContact NE-OD2 2.92Å; R614-D647 IonicContact NH1-OD1 2.75Å; R614-D647 PolarHBondContact NH1-OD1 3.3Å; R614-D647 IonicContact NH1-OD2 3.76Å; R614-D647 PolarHBondContact NH1-OD2 3.34Å; R614-D647 VanDerWaalsContact NH2-C 3.34Å; R614-D647 VanDerWaalsContact NH2-CG 3.3Å; R614-D647 PolarHBondContact NH2-O 2.8Å; R614-D647 IonicContact NH2-OD1 3.23Å; R614-D647 PolarHBondContact NH2-OD1 2.9Å; R614-D647 IonicContact NH2-OD2 2.68Å
648	I	93.3	Very high	90.5	Very high	10 Å²	10	63 Å²	63	5%	0.051	34%	0.344	C	S	.	.	S	Bend	trans	-88.8	126.3	172.1	-61.1	172.4	0	0	0	109.6	A611 D646 W650 L688	A611-I648 HydrophobicContact CB-CG1 4.28Å; A611-I648 HydrophobicContact CB-CG2 4.11Å; D646-I648 VanDerWaalsContact C-N 3.34Å; D646-I648 WeakPolarHBondContact OD1-CB 3.27Å; D646-I648 WeakPolarHBondContact OD1-CG1 3.4Å; D646-I648 PolarHBondContact OD1-N 2.83Å; D646-I648 VanDerWaalsContact OD1-N 3.14Å; I648-W650 VanDerWaalsContact C-N 3.28Å; I648-W650 HydrophobicContact CB-CD2 4.34Å; I648-W650 HydrophobicContact CB-CZ2 3.92Å; I648-W650 HydrophobicContact CD1-CH2 3.96Å; I648-W650 HydrophobicContact CD1-CZ2 3.57Å; I648-W650 HydrophobicContact CG1-CZ2 4.32Å; I648-W650 HydrophobicContact CG2-CD2 3.76Å; I648-W650 HydrophobicContact CG2-CE3 4.04Å; I648-W650 HydrophobicContact CG2-CG 4.29Å; I648-W650 HydrophobicContact CG2-CH2 4.04Å; I648-W650 HydrophobicContact CG2-CZ2 3.79Å; I648-W650 HydrophobicContact CG2-CZ3 4.17Å; I648-W650 VanDerWaalsContact O-CD1 3.3Å; I648-W650 PolarHBondContact O-N 3.09Å; I648-L688 HydrophobicContact CD1-CD1 4.47Å; I648-L688 HydrophobicContact CD1-CG 4.5Å; I648-L688 HydrophobicContact CG2-CD2 4.49Å
649	P	92	Very high	91	Very high	41 Å²	41	59.5 Å²	59.5	27%	0.266	31%	0.314	S	S	.	.			trans	-81.8	67.7	-179.7	33.5	-34.5	0	0	0	111.9	Q606 D651 N652 M653	Q606-P649 HydrophobicContact CB-CG 4.22Å; Q606-P649 HydrophobicContact CG-CB 4.27Å; Q606-P649 HydrophobicContact CG-CG 4.08Å; P649-D651 VanDerWaalsContact C-N 3.27Å; P649-D651 PolarHBondContact O-N 3.03Å; P649-D651 VanDerWaalsContact O-N 3.12Å; P649-N652 PolarHBondContact O-N 3.37Å; P649-M653 PolarHBondContact O-N 3.42Å; P649-M653 VanDerWaalsContact O-N 3.09Å
650	W	94.1	Very high	91.3	Very high	69 Å²	69	61.7 Å²	61.7	26%	0.261	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-48.5	-42.3	-173.4	-65.1	107.6	0	0	0	114.5	D646 I648 L688 K689	D646-W650 VanDerWaalsContact CG-NE1 3.35Å; D646-W650 PolarHBondContact OD2-NE1 3.21Å; I648-W650 VanDerWaalsContact C-N 3.28Å; I648-W650 HydrophobicContact CB-CD2 4.34Å; I648-W650 HydrophobicContact CB-CZ2 3.92Å; I648-W650 HydrophobicContact CD1-CH2 3.96Å; I648-W650 HydrophobicContact CD1-CZ2 3.57Å; I648-W650 HydrophobicContact CG1-CZ2 4.32Å; I648-W650 HydrophobicContact CG2-CD2 3.76Å; I648-W650 HydrophobicContact CG2-CE3 4.04Å; I648-W650 HydrophobicContact CG2-CG 4.29Å; I648-W650 HydrophobicContact CG2-CH2 4.04Å; I648-W650 HydrophobicContact CG2-CZ2 3.79Å; I648-W650 HydrophobicContact CG2-CZ3 4.17Å; I648-W650 VanDerWaalsContact O-CD1 3.3Å; I648-W650 PolarHBondContact O-N 3.09Å; W650-L688 HydrophobicContact CH2-CB 4.47Å; W650-L688 HydrophobicContact CH2-CD2 4.24Å; W650-L688 HydrophobicContact CH2-CG 3.88Å; W650-L688 HydrophobicContact CZ3-CD2 4.19Å; W650-L688 HydrophobicContact CZ3-CG 4.17Å; W650-K689 HydrophobicContact CD2-CD 4.16Å; W650-K689 VanDerWaalsContact CE2-NZ 3.3Å; W650-K689 HydrophobicContact CE3-CD 4.2Å; W650-K689 VanDerWaalsContact CH2-CA 3.48Å; W650-K689 HydrophobicContact CH2-CB 3.8Å; W650-K689 HydrophobicContact CH2-CD 3.38Å; W650-K689 HydrophobicContact CH2-CG 4.22Å; W650-K689 HydrophobicContact CZ2-CD 3.28Å; W650-K689 HydrophobicContact CZ3-CB 3.96Å; W650-K689 HydrophobicContact CZ3-CD 3.83Å; W650-K689 HydrophobicContact CZ3-CG 4.5Å; W650-K689 VanDerWaalsContact NE1-NZ 3.17Å
651	D	91.4	Very high	91.9	Very high	154 Å²	154	60.2 Å²	60.2	82%	0.824	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-78.3	-20.1	-175.4	-57.2	-41.5	0	0	0	114.2	P649	P649-D651 VanDerWaalsContact C-N 3.27Å; P649-D651 PolarHBondContact O-N 3.03Å; P649-D651 VanDerWaalsContact O-N 3.12Å
652	N	91.6	Very high	92.3	Very high	88 Å²	88	60.1 Å²	60.1	47%	0.471	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-124.9	15.4	-170.8	-67.7	-66.1	0	0	0	113.2	Q606 P649	Q606-N652 WeakPolarHBondContact CB-O 3.28Å; Q606-N652 PolarHBondContact OE1-O 3.2Å; P649-N652 PolarHBondContact O-N 3.37Å
653	M	94.8	Very high	92.7	Very high	22 Å²	22	60.1 Å²	60.1	11%	0.108	31%	0.305	C	S	.	.			trans	-61.9	142.9	-176.7	-166.2	165.4	56.9	0	0	111.7	Q606 L608 P649 L681 S685 L688	Q606-M653 CarbonylContact O-C 3.54Å; Q606-M653 WeakPolarHBondContact O-CA 3.41Å; L608-M653 HydrophobicContact CB-CG 3.93Å; L608-M653 HydrophobicContact CB-SD 4.02Å; L608-M653 HydrophobicContact CD1-CE 3.64Å; L608-M653 HydrophobicContact CD1-SD 3.53Å; L608-M653 VanDerWaalsContact CD1-SD 3.53Å; L608-M653 HydrophobicContact CG-SD 4.39Å; P649-M653 PolarHBondContact O-N 3.42Å; P649-M653 VanDerWaalsContact O-N 3.09Å; M653-L681 HydrophobicContact CE-CD1 4.47Å; M653-S685 WeakPolarHBondContact CE-OG 3.41Å; M653-L688 HydrophobicContact SD-CD2 3.94Å
654	R	95.5	Very high	93	Very high	129 Å²	129	61.2 Å²	61.2	49%	0.487	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-119.1	123.5	-176.9	-62.8	-59.5	-176.6	-163.1	-0.5	110.6	R603 Q606 S607 L608 N656	R603-R654 HydrophobicContact CG-CB 4.29Å; R603-R654 HydrophobicContact CG-CG 4.27Å; Q606-R654 HydrophobicContact CB-CG 4.21Å; Q606-R654 PolarHBondContact O-N 3Å; S607-R654 WeakPolarHBondContact CA-O 3.33Å; L608-R654 PolarHBondContact N-O 3.32Å; R654-N656 PolarHBondContact O-N 2.86Å
655	D	96.8	Very high	93.4	Very high	39 Å²	39	56.5 Å²	56.5	21%	0.209	29%	0.291	C	S	.	.			trans	-83.4	109.1	167.8	-164.8	-6.2	0	0	0	109.6	R657 L681	D655-R657 WeakPolarHBondContact OD1-CB 3.26Å; D655-R657 VanDerWaalsContact OD1-CG 3.22Å; D655-R657 WeakPolarHBondContact OD1-CG 3.39Å; D655-R657 IonicContact OD1-CZ 3.53Å; D655-R657 PolarHBondContact OD1-N 3.24Å; D655-R657 VanDerWaalsContact OD1-N 3.13Å; D655-R657 IonicContact OD1-NE 3.61Å; D655-R657 PolarHBondContact OD1-NE 2.94Å; D655-R657 IonicContact OD1-NH2 2.66Å; D655-R657 IonicContact OD2-CZ 3.55Å; D655-R657 IonicContact OD2-NE 2.83Å; D655-R657 PolarHBondContact OD2-NE 3.37Å; D655-R657 IonicContact OD2-NH2 3.41Å; D655-R657 PolarHBondContact OD2-NH2 3.21Å; D655-L681 HydrophobicContact CB-CD1 4.05Å; D655-L681 HydrophobicContact CB-CD2 4.4Å
656	N	97.1	Very high	93.8	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.08	26%	0.263	C	S	.	.			trans	-105.6	5.6	179.6	-60	-30.6	0	0	0	112.3	D541 R603 R654 D658	D541-N656 WeakPolarHBondContact OD2-CB 3.41Å; D541-N656 PolarHBondContact OD2-ND2 2.65Å; R603-N656 PolarHBondContact NE-OD1 2.79Å; R603-N656 PolarHBondContact NH2-OD1 2.73Å; R603-N656 PolarHBondContact O-ND2 3.05Å; R654-N656 PolarHBondContact O-N 2.86Å; N656-D658 PolarHBondContact O-N 3.03Å
657	R	97.3	Very high	94.2	Very high	15 Å²	15	48.5 Å²	48.5	6%	0.057	25%	0.253	C	S	.	.			trans	-61.4	132.8	179.9	-63.4	176.1	-63	164.8	5.1	109.9	T542 Y545 D655 L659 S680 E684	T542-R657 WeakPolarHBondContact O-CA 3.48Å; Y545-R657 HydrophobicContact CD1-CB 3.85Å; Y545-R657 HydrophobicContact CD1-CG 3.71Å; Y545-R657 HydrophobicContact CE1-CB 3.89Å; Y545-R657 HydrophobicContact CE1-CG 4.27Å; Y545-R657 HydrophobicContact CG-CB 4.46Å; Y545-R657 HydrophobicContact CG-CG 3.96Å; D655-R657 WeakPolarHBondContact OD1-CB 3.26Å; D655-R657 VanDerWaalsContact OD1-CG 3.22Å; D655-R657 WeakPolarHBondContact OD1-CG 3.39Å; D655-R657 IonicContact OD1-CZ 3.53Å; D655-R657 PolarHBondContact OD1-N 3.24Å; D655-R657 VanDerWaalsContact OD1-N 3.13Å; D655-R657 IonicContact OD1-NE 3.61Å; D655-R657 PolarHBondContact OD1-NE 2.94Å; D655-R657 IonicContact OD1-NH2 2.66Å; D655-R657 IonicContact OD2-CZ 3.55Å; D655-R657 IonicContact OD2-NE 2.83Å; D655-R657 PolarHBondContact OD2-NE 3.37Å; D655-R657 IonicContact OD2-NH2 3.41Å; D655-R657 PolarHBondContact OD2-NH2 3.21Å; R657-L659 HydrophobicContact CB-CD2 3.86Å; R657-L659 HydrophobicContact CB-CG 4.31Å; R657-L659 PolarHBondContact O-N 3.5Å; R657-S680 PolarHBondContact NH2-OG 2.83Å; R657-E684 IonicContact NH1-OE1 2.93Å
658	D	97.3	Very high	94.3	Very high	50 Å²	50	51.5 Å²	51.5	27%	0.267	26%	0.261	S	S	.	.			trans	-81.4	97.4	169.8	-171.3	-6.9	0	0	0	108.7	T542 I543 Y545 N656 T660 V661	T542-D658 PolarHBondContact O-N 2.61Å; I543-D658 HydrophobicContact CG2-CB 4.38Å; Y545-D658 PolarHBondContact OH-O 3.07Å; Y545-D658 VanDerWaalsContact OH-O 3.08Å; N656-D658 PolarHBondContact O-N 3.03Å; D658-T660 WeakPolarHBondContact OD1-CA 3.38Å; D658-T660 PolarHBondContact OD1-N 2.92Å; D658-T660 PolarHBondContact OD1-OG1 2.86Å; D658-V661 HydrophobicContact CB-CB 4.34Å; D658-V661 PolarHBondContact OD1-N 3.38Å
659	L	95.9	Very high	94.1	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.052	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11.4	176.5	-50.6	178.7	0	0	0	112.2	Y545 R657 L672 R677 P757	Y545-L659 HydrophobicContact CE2-CD2 4.45Å; R657-L659 HydrophobicContact CB-CD2 3.86Å; R657-L659 HydrophobicContact CB-CG 4.31Å; R657-L659 PolarHBondContact O-N 3.5Å; L659-L672 HydrophobicContact CB-CD2 3.49Å; L659-L672 VanDerWaalsContact CB-CD2 3.49Å; L659-L672 HydrophobicContact CD1-CD2 4.28Å; L659-L672 WeakPolarHBondContact O-CD2 3.26Å; L659-R677 HydrophobicContact CD1-CG 4.24Å; L659-P757 HydrophobicContact CD1-CB 4.03Å; L659-P757 HydrophobicContact CD1-CG 4.31Å; L659-P757 HydrophobicContact CD2-CB 4.02Å
660	T	94.8	Very high	94	Very high	88 Å²	88	60.4 Å²	60.4	54%	0.54	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	8.3	-177.8	46.8	0	0	0	0	113	D658 L662 R677	D658-T660 WeakPolarHBondContact OD1-CA 3.38Å; D658-T660 PolarHBondContact OD1-N 2.92Å; D658-T660 PolarHBondContact OD1-OG1 2.86Å; T660-L662 VanDerWaalsContact C-N 3.28Å; T660-L662 PolarHBondContact O-N 3.43Å; T660-R677 VanDerWaalsContact CG2-NH2 3.29Å
661	V	95.6	Very high	93.8	Very high	31 Å²	31	59.9 Å²	59.9	19%	0.188	30%	0.299	C	S	.	.			trans	-65.5	-30.9	-179.1	70.3	0	0	0	0	112.8	Q508 L511 I543 D658	Q508-V661 PolarHBondContact NE2-O 3.42Å; L511-V661 HydrophobicContact CD1-CG1 4.32Å; L511-V661 HydrophobicContact CD1-CG2 3.76Å; I543-V661 HydrophobicContact CG2-CB 4.35Å; I543-V661 HydrophobicContact CG2-CG1 4.28Å; I543-V661 HydrophobicContact CG2-CG2 4.14Å; D658-V661 HydrophobicContact CB-CB 4.34Å; D658-V661 PolarHBondContact OD1-N 3.38Å
662	L	95.4	Very high	93.8	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	27%	0.269	C	S	.	.	S	Bend	trans	-79.2	122.5	172.9	-76.3	158	0	0	0	109	L511 L512 L515 T660 S664 L755	L511-L662 HydrophobicContact CB-CD2 3.72Å; L511-L662 HydrophobicContact CB-CG 4.44Å; L512-L662 HydrophobicContact CB-CD2 4.25Å; L515-L662 HydrophobicContact CD2-CD1 3.88Å; T660-L662 VanDerWaalsContact C-N 3.28Å; T660-L662 PolarHBondContact O-N 3.43Å; L662-S664 PolarHBondContact O-N 3.12Å; L662-L755 HydrophobicContact CB-CB 4.34Å; L662-L755 HydrophobicContact CB-CD2 4.27Å; L662-L755 HydrophobicContact CD1-CB 4.45Å; L662-L755 HydrophobicContact CD1-CD2 4.02Å; L662-L755 HydrophobicContact CD2-CD2 4.49Å; L662-L755 HydrophobicContact CG-CD2 4.5Å
663	V	94.2	Very high	94	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.297	26%	0.263	S	S	.	.			trans	-63.5	130	178	172.3	0	0	0	0	109.4	H474 Q508 W665	H474-V663 PolarHBondContact CE1-O 3.36Å; H474-V663 VanDerWaalsContact CE1-O 3.23Å; Q508-V663 HydrophobicContact CG-CG2 4.04Å; V663-W665 HydrophobicContact CG1-CD2 4.08Å; V663-W665 VanDerWaalsContact CG1-CE2 3.48Å; V663-W665 HydrophobicContact CG1-CE3 4.5Å; V663-W665 HydrophobicContact CG1-CH2 3.96Å; V663-W665 HydrophobicContact CG1-CZ2 3.42Å; V663-W665 VanDerWaalsContact CG1-CZ2 3.42Å; V663-W665 HydrophobicContact CG1-CZ3 4.44Å
664	S	93.3	Very high	93.9	Very high	34 Å²	34	58.3 Å²	58.3	24%	0.238	29%	0.288	C	S	.	.			trans	-128.3	131.8	171.3	174.4	0	0	0	0	111.4	K371 L662 D666	K371-S664 PolarHBondContact NZ-O 3.23Å; K371-S664 VanDerWaalsContact NZ-O 3.07Å; L662-S664 PolarHBondContact O-N 3.12Å; S664-D666 VanDerWaalsContact OG-CB 3.32Å; S664-D666 WeakPolarHBondContact OG-CB 3.41Å; S664-D666 PolarHBondContact OG-N 2.63Å; S664-D666 VanDerWaalsContact OG-N 3.08Å; S664-D666 PolarHBondContact OG-OD2 2.86Å
665	W	95.3	Very high	93.9	Very high	14 Å²	14	56.3 Å²	56.3	5%	0.053	29%	0.285	C	S	.	.			trans	-108.3	23.4	169.1	-50	-77.1	0	0	0	111.3	Q420 R423 A424 M467 L470 M471 H474 V663	Q420-W665 HydrophobicContact CB-CG 4.22Å; Q420-W665 HydrophobicContact CG-CD2 4.06Å; Q420-W665 HydrophobicContact CG-CG 4.23Å; Q420-W665 HydrophobicContact CG-CZ2 4.28Å; Q420-W665 VanDerWaalsContact NE2-CE2 3.3Å; R423-W665 CarbonylContact C-O 3.12Å; R423-W665 VanDerWaalsContact C-O 3.23Å; R423-W665 HydrophobicContact CB-CB 4.22Å; R423-W665 HydrophobicContact CG-CB 4.37Å; R423-W665 WeakPolarHBondContact CG-O 3.34Å; A424-W665 WeakPolarHBondContact CA-O 3.5Å; A424-W665 PolarHBondContact N-O 3.49Å; M467-W665 HydrophobicContact CB-CH2 4.37Å; M467-W665 HydrophobicContact SD-CH2 3.64Å; M467-W665 HydrophobicContact SD-CZ2 3.72Å; L470-W665 HydrophobicContact CB-CH2 4.34Å; L470-W665 HydrophobicContact CB-CZ3 4.47Å; L470-W665 HydrophobicContact CD2-CH2 3.79Å; L470-W665 HydrophobicContact CD2-CZ3 4.19Å; L470-W665 HydrophobicContact CG-CH2 4.15Å; L470-W665 HydrophobicContact CG-CZ3 4.13Å; M471-W665 HydrophobicContact CG-CE3 3.9Å; M471-W665 HydrophobicContact CG-CH2 4.16Å; M471-W665 HydrophobicContact CG-CZ3 3.52Å; H474-W665 AromaticContact CE1-CZ3 3.96Å; H474-W665 AromaticContact ND1-CE3 3.97Å; V663-W665 HydrophobicContact CG1-CD2 4.08Å; V663-W665 VanDerWaalsContact CG1-CE2 3.48Å; V663-W665 HydrophobicContact CG1-CE3 4.5Å; V663-W665 HydrophobicContact CG1-CH2 3.96Å; V663-W665 HydrophobicContact CG1-CZ2 3.42Å; V663-W665 VanDerWaalsContact CG1-CZ2 3.42Å; V663-W665 HydrophobicContact CG1-CZ3 4.44Å
666	D	94.3	Very high	93.8	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	28%	0.284	C	S	.	.			trans	-68.9	153.8	177.6	-60	-30.6	0	0	0	110.7	R423 H429 S664 R670	R423-D666 IonicContact CZ-OD1 3.84Å; R423-D666 IonicContact NE-OD1 2.79Å; R423-D666 PolarHBondContact NE-OD1 2.72Å; R423-D666 IonicContact NH2-OD1 3.98Å; R423-D666 PolarHBondContact NH2-OD1 3.34Å; H429-D666 IonicContact CE1-OD1 2.94Å; H429-D666 IonicContact NE2-OD1 3.32Å; S664-D666 VanDerWaalsContact OG-CB 3.32Å; S664-D666 WeakPolarHBondContact OG-CB 3.41Å; S664-D666 PolarHBondContact OG-N 2.63Å; S664-D666 VanDerWaalsContact OG-N 3.08Å; S664-D666 PolarHBondContact OG-OD2 2.86Å; D666-R670 HydrophobicContact CB-CB 4.11Å
667	P	93.3	Very high	93.7	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.065	29%	0.292	C	S	.	.			trans	-67.9	157.3	176	32	-38.2	0	0	0	110.8	A424 H429 D669 R670 E671	A424-P667 WeakPolarHBondContact O-CA 3.39Å; A424-P667 WeakPolarHBondContact O-CB 3.4Å; H429-P667 WeakPolarHBondContact CE1-CD 3.28Å; P667-D669 VanDerWaalsContact CB-OD1 3.25Å; P667-D669 WeakPolarHBondContact CB-OD1 3.47Å; P667-D669 VanDerWaalsContact CG-OD1 3.31Å; P667-D669 WeakPolarHBondContact CG-OD1 3.43Å; P667-D669 PolarHBondContact O-N 3.28Å; P667-R670 HydrophobicContact CG-CB 4.39Å; P667-R670 HydrophobicContact CG-CG 4.21Å; P667-R670 PolarHBondContact O-N 3.43Å; P667-E671 PolarHBondContact O-N 3.39Å
668	K	87.8	Confident	93.6	Very high	172 Å²	172	64 Å²	64	75%	0.748	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.9	-172.3	-170.8	174.7	-178.5	175.8	0	114.7	R670	K668-R670 VanDerWaalsContact C-N 3.28Å; K668-R670 PolarHBondContact O-N 2.9Å
669	D	87.7	Confident	93.5	Very high	132 Å²	132	62.9 Å²	62.9	71%	0.706	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.6	177.6	59.6	-56.4	0	0	0	114.1	P667	P667-D669 VanDerWaalsContact CB-OD1 3.25Å; P667-D669 WeakPolarHBondContact CB-OD1 3.47Å; P667-D669 VanDerWaalsContact CG-OD1 3.31Å; P667-D669 WeakPolarHBondContact CG-OD1 3.43Å; P667-D669 PolarHBondContact O-N 3.28Å
670	R	89.8	Confident	93.5	Very high	106 Å²	106	62.4 Å²	62.4	40%	0.4	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.7	178.2	-65.6	-175.7	171.6	-130.4	-2	113.5	H429 D666 P667 K668	H429-R670 PolarHBondContact CD2-NH1 3Å; H429-R670 VanDerWaalsContact CD2-NH1 3.31Å; D666-R670 HydrophobicContact CB-CB 4.11Å; P667-R670 HydrophobicContact CG-CB 4.39Å; P667-R670 HydrophobicContact CG-CG 4.21Å; P667-R670 PolarHBondContact O-N 3.43Å; K668-R670 VanDerWaalsContact C-N 3.28Å; K668-R670 PolarHBondContact O-N 2.9Å
671	E	89.8	Confident	93.6	Very high	58 Å²	58	60.7 Å²	60.7	27%	0.271	29%	0.29	S	S	.	.	S	Bend	trans	-71.3	161.7	179.1	-71.1	-176.2	155.3	0	0	112.5	K371 P667 T673	K371-E671 WeakPolarHBondContact CE-OE1 3.38Å; K371-E671 IonicContact NZ-OE1 2.98Å; K371-E671 PolarHBondContact NZ-OE1 2.9Å; P667-E671 PolarHBondContact O-N 3.39Å; E671-T673 PolarHBondContact O-N 3.32Å
672	L	92.9	Very high	93.5	Very high	35 Å²	35	62.2 Å²	62.2	18%	0.183	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65	119.7	172.4	-178.7	65.8	0	0	0	110.4	L659 H676 R677 P757	L659-L672 HydrophobicContact CB-CD2 3.49Å; L659-L672 VanDerWaalsContact CB-CD2 3.49Å; L659-L672 HydrophobicContact CD1-CD2 4.28Å; L659-L672 WeakPolarHBondContact O-CD2 3.26Å; L672-H676 HydrophobicContact CD1-CB 3.52Å; L672-R677 HydrophobicContact CD2-CG 4.21Å; L672-R677 HydrophobicContact CG-CG 4.29Å; L672-P757 HydrophobicContact CD1-CG 4.24Å
673	T	94.2	Very high	93.6	Very high	57 Å²	57	62 Å²	62	35%	0.35	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-94.8	160.5	178.4	67.6	0	0	0	0	111.5	E671 E675 H676 R677	E671-T673 PolarHBondContact O-N 3.32Å; T673-E675 PolarHBondContact O-N 3.32Å; T673-H676 WeakPolarHBondContact O-CB 3.3Å; T673-H676 PolarHBondContact O-N 3.12Å; T673-H676 VanDerWaalsContact O-N 3.15Å; T673-H676 VanDerWaalsContact OG1-CG 3.29Å; T673-H676 PolarHBondContact OG1-N 3.32Å; T673-H676 VanDerWaalsContact OG1-N 3.12Å; T673-H676 PolarHBondContact OG1-ND1 2.81Å; T673-R677 PolarHBondContact O-N 3.13Å; T673-R677 VanDerWaalsContact O-N 3.16Å
674	E	94.2	Very high	93.7	Very high	138 Å²	138	59.9 Å²	59.9	65%	0.645	28%	0.281	S	S	*	.	H	α-helix	trans	-61.3	-29.5	171.9	-69.8	-55	120.2	0	0	112.4	R677 R678	E674-R677 PolarHBondContact O-N 3.39Å; E674-R677 WeakPolarHBondContact OE1-CD 3.5Å; E674-R677 IonicContact OE1-NE 3.5Å; E674-R677 PolarHBondContact OE1-NE 2.76Å; E674-R678 WeakPolarHBondContact O-CB 3.31Å; E674-R678 PolarHBondContact O-N 3.48Å
675	E	94.1	Very high	93.9	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-42.1	174	-178.5	60.1	-171.3	0	0	111.6	T673 R677 R678 L679	T673-E675 PolarHBondContact O-N 3.32Å; E675-R677 VanDerWaalsContact C-N 3.3Å; E675-R677 PolarHBondContact O-N 2.96Å; E675-R678 PolarHBondContact O-N 2.8Å; E675-R678 IonicContact OE1-CZ 3.13Å; E675-R678 IonicContact OE1-NE 3.82Å; E675-R678 IonicContact OE1-NH2 3.38Å; E675-R678 PolarHBondContact OE1-NH2 2.93Å; E675-R678 IonicContact OE2-CZ 2.69Å; E675-R678 IonicContact OE2-NE 3.44Å; E675-R678 PolarHBondContact OE2-NE 3.44Å; E675-R678 IonicContact OE2-NH2 2.7Å; E675-R678 PolarHBondContact OE2-NH2 2.93Å; E675-L679 HydrophobicContact CG-CD1 4.03Å; E675-L679 HydrophobicContact CG-CG 4.42Å; E675-L679 WeakPolarHBondContact O-CB 3.49Å; E675-L679 VanDerWaalsContact O-CG 3.29Å; E675-L679 WeakPolarHBondContact O-CG 3.45Å; E675-L679 PolarHBondContact O-N 3.01Å
676	H	95.1	Very high	93.9	Very high	41 Å²	41	59.8 Å²	59.8	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-39.6	172.9	-66.9	152.6	0	0	0	112.1	L672 T673 S680 Y752	L672-H676 HydrophobicContact CD1-CB 3.52Å; T673-H676 WeakPolarHBondContact O-CB 3.3Å; T673-H676 PolarHBondContact O-N 3.12Å; T673-H676 VanDerWaalsContact O-N 3.15Å; T673-H676 VanDerWaalsContact OG1-CG 3.29Å; T673-H676 PolarHBondContact OG1-N 3.32Å; T673-H676 VanDerWaalsContact OG1-N 3.12Å; T673-H676 PolarHBondContact OG1-ND1 2.81Å; H676-S680 VanDerWaalsContact O-CB 3.32Å; H676-S680 WeakPolarHBondContact O-CB 3.24Å; H676-S680 PolarHBondContact O-N 2.63Å; H676-Y752 HydrophobicContact CB-CD1 4.21Å
677	R	95.8	Very high	94.1	Very high	66 Å²	66	59.7 Å²	59.7	25%	0.249	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.4	175.4	-61.8	-176.9	-170.3	-83.4	-3.6	111.5	L659 T660 L672 T673 E674 E675 S680 L681	L659-R677 HydrophobicContact CD1-CG 4.24Å; T660-R677 VanDerWaalsContact CG2-NH2 3.29Å; L672-R677 HydrophobicContact CD2-CG 4.21Å; L672-R677 HydrophobicContact CG-CG 4.29Å; T673-R677 PolarHBondContact O-N 3.13Å; T673-R677 VanDerWaalsContact O-N 3.16Å; E674-R677 PolarHBondContact O-N 3.39Å; E674-R677 WeakPolarHBondContact OE1-CD 3.5Å; E674-R677 IonicContact OE1-NE 3.5Å; E674-R677 PolarHBondContact OE1-NE 2.76Å; E675-R677 VanDerWaalsContact C-N 3.3Å; E675-R677 PolarHBondContact O-N 2.96Å; R677-S680 PolarHBondContact O-N 3.08Å; R677-L681 WeakPolarHBondContact O-CB 3.39Å; R677-L681 PolarHBondContact O-N 3.06Å
678	R	95.4	Very high	94.3	Very high	122 Å²	122	59.4 Å²	59.4	46%	0.46	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-48.3	178.3	-169.8	-172	71.6	73.8	0.1	111.5	E674 E675 L681 E682	E674-R678 WeakPolarHBondContact O-CB 3.31Å; E674-R678 PolarHBondContact O-N 3.48Å; E675-R678 PolarHBondContact O-N 2.8Å; E675-R678 IonicContact OE1-CZ 3.13Å; E675-R678 IonicContact OE1-NE 3.82Å; E675-R678 IonicContact OE1-NH2 3.38Å; E675-R678 PolarHBondContact OE1-NH2 2.93Å; E675-R678 IonicContact OE2-CZ 2.69Å; E675-R678 IonicContact OE2-NE 3.44Å; E675-R678 PolarHBondContact OE2-NE 3.44Å; E675-R678 IonicContact OE2-NH2 2.7Å; E675-R678 PolarHBondContact OE2-NH2 2.93Å; R678-L681 PolarHBondContact O-N 3.09Å; R678-E682 IonicContact NH1-OE2 2.72Å; R678-E682 PolarHBondContact NH1-OE2 3.17Å; R678-E682 PolarHBondContact O-N 3.01Å
679	L	94.9	Very high	94.8	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-41.4	178.3	-68.6	172.8	0	0	0	111.8	E675 L681 E682 E683 T750 Y752	E675-L679 HydrophobicContact CG-CD1 4.03Å; E675-L679 HydrophobicContact CG-CG 4.42Å; E675-L679 WeakPolarHBondContact O-CB 3.49Å; E675-L679 VanDerWaalsContact O-CG 3.29Å; E675-L679 WeakPolarHBondContact O-CG 3.45Å; E675-L679 PolarHBondContact O-N 3.01Å; L679-L681 PolarHBondContact O-N 3.42Å; L679-E682 PolarHBondContact O-N 3.41Å; L679-E683 WeakPolarHBondContact O-CB 3.33Å; L679-E683 PolarHBondContact O-N 3.23Å; L679-T750 HydrophobicContact CB-CG2 4.41Å; L679-T750 HydrophobicContact CD1-CG2 3.71Å; L679-Y752 HydrophobicContact CB-CE1 4.27Å
680	S	95.9	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.6	175.2	178.6	0	0	0	0	111.8	R657 H676 R677 E683 E684 Y752 P757	R657-S680 PolarHBondContact NH2-OG 2.83Å; H676-S680 VanDerWaalsContact O-CB 3.32Å; H676-S680 WeakPolarHBondContact O-CB 3.24Å; H676-S680 PolarHBondContact O-N 2.63Å; R677-S680 PolarHBondContact O-N 3.08Å; S680-E683 PolarHBondContact O-N 3.35Å; S680-E684 WeakPolarHBondContact O-CB 3.25Å; S680-E684 WeakPolarHBondContact O-CG 3.4Å; S680-E684 PolarHBondContact O-N 2.95Å; S680-Y752 WeakPolarHBondContact CA-OH 3.34Å; S680-Y752 PolarHBondContact N-OH 3.49Å; S680-P757 VanDerWaalsContact OG-CB 3.28Å; S680-P757 WeakPolarHBondContact OG-CB 3.48Å
681	L	95.8	Very high	95.7	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.277	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-42.7	176.3	175.9	56.2	0	0	0	111.9	L608 M653 D655 R677 R678 L679 S685	L608-L681 HydrophobicContact CD2-CD1 3.86Å; M653-L681 HydrophobicContact CE-CD1 4.47Å; D655-L681 HydrophobicContact CB-CD1 4.05Å; D655-L681 HydrophobicContact CB-CD2 4.4Å; R677-L681 WeakPolarHBondContact O-CB 3.39Å; R677-L681 PolarHBondContact O-N 3.06Å; R678-L681 PolarHBondContact O-N 3.09Å; L679-L681 PolarHBondContact O-N 3.42Å; L681-S685 VanDerWaalsContact O-CB 3.25Å; L681-S685 WeakPolarHBondContact O-CB 3.4Å; L681-S685 PolarHBondContact O-N 3.48Å; L681-S685 PolarHBondContact O-OG 3.31Å
682	E	94.9	Very high	96.1	Very high	62 Å²	62	39.9 Å²	39.9	29%	0.29	19%	0.189	S	C	.	.	H	α-helix	trans	-59.2	-48.6	176.4	-173	178.6	169.5	0	0	110.9	R678 L679 S685 V686 I745	R678-E682 IonicContact NH1-OE2 2.72Å; R678-E682 PolarHBondContact NH1-OE2 3.17Å; R678-E682 PolarHBondContact O-N 3.01Å; L679-E682 PolarHBondContact O-N 3.41Å; E682-S685 PolarHBondContact O-N 3.29Å; E682-V686 WeakPolarHBondContact O-CG2 3.47Å; E682-V686 PolarHBondContact O-N 3.34Å; E682-I745 HydrophobicContact CG-CD1 4.07Å
683	E	95.9	Very high	96.3	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-47.6	179.2	-161.6	-165.9	156.1	0	0	112.4	L679 S680 S685 V686 W687 Y752 S760 L762	L679-E683 WeakPolarHBondContact O-CB 3.33Å; L679-E683 PolarHBondContact O-N 3.23Å; S680-E683 PolarHBondContact O-N 3.35Å; E683-S685 VanDerWaalsContact C-N 3.32Å; E683-S685 PolarHBondContact O-N 2.8Å; E683-V686 PolarHBondContact O-N 3.27Å; E683-W687 WeakPolarHBondContact O-CB 3.35Å; E683-W687 PolarHBondContact O-N 3.21Å; E683-Y752 VanDerWaalsContact OE2-CE2 3.32Å; E683-Y752 WeakPolarHBondContact OE2-CE2 3.36Å; E683-Y752 PolarHBondContact OE2-OH 2.85Å; E683-S760 VanDerWaalsContact CD-OG 3.28Å; E683-S760 WeakPolarHBondContact CG-OG 3.41Å; E683-S760 VanDerWaalsContact OE1-CB 3.27Å; E683-S760 WeakPolarHBondContact OE1-CB 3.29Å; E683-S760 PolarHBondContact OE1-N 3.47Å; E683-S760 PolarHBondContact OE1-OG 3.5Å; E683-L762 HydrophobicContact CG-CD2 4.31Å
684	E	96.8	Very high	96.4	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-33.9	178.1	-70.5	-68.9	167.1	0	0	112.4	L608 Q612 R657 S680 L688	L608-E684 HydrophobicContact CD1-CB 4.44Å; L608-E684 HydrophobicContact CD2-CB 3.94Å; Q612-E684 PolarHBondContact NE2-OE2 3.27Å; R657-E684 IonicContact NH1-OE1 2.93Å; S680-E684 WeakPolarHBondContact O-CB 3.25Å; S680-E684 WeakPolarHBondContact O-CG 3.4Å; S680-E684 PolarHBondContact O-N 2.95Å; E684-L688 VanDerWaalsContact O-CB 3.24Å; E684-L688 WeakPolarHBondContact O-CB 3.39Å; E684-L688 PolarHBondContact O-N 2.98Å
685	S	96.9	Very high	96.6	Very high	26 Å²	26	29.5 Å²	29.5	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-43.6	177	-60.4	0	0	0	0	111.5	M653 L681 E682 E683 L688 K689	M653-S685 WeakPolarHBondContact CE-OG 3.41Å; L681-S685 VanDerWaalsContact O-CB 3.25Å; L681-S685 WeakPolarHBondContact O-CB 3.4Å; L681-S685 PolarHBondContact O-N 3.48Å; L681-S685 PolarHBondContact O-OG 3.31Å; E682-S685 PolarHBondContact O-N 3.29Å; E683-S685 VanDerWaalsContact C-N 3.32Å; E683-S685 PolarHBondContact O-N 2.8Å; S685-L688 PolarHBondContact O-N 3.32Å; S685-K689 WeakPolarHBondContact O-CB 3.42Å; S685-K689 PolarHBondContact O-N 3.02Å
686	V	97.3	Very high	96.7	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.115	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-43	176.6	172.6	0	0	0	0	110.7	E682 E683 K689 V690 T738 T741 A742 I745 L762	E682-V686 WeakPolarHBondContact O-CG2 3.47Å; E682-V686 PolarHBondContact O-N 3.34Å; E683-V686 PolarHBondContact O-N 3.27Å; V686-K689 WeakPolarHBondContact O-CB 3.37Å; V686-K689 PolarHBondContact O-N 3.27Å; V686-K689 VanDerWaalsContact O-N 3.16Å; V686-V690 WeakPolarHBondContact O-CG2 3.19Å; V686-V690 PolarHBondContact O-N 3.36Å; V686-T738 HydrophobicContact CG1-CG2 4.11Å; V686-T741 HydrophobicContact CG2-CG2 4.41Å; V686-A742 HydrophobicContact CG1-CB 3.81Å; V686-I745 HydrophobicContact CB-CD1 4.33Å; V686-I745 HydrophobicContact CG2-CD1 3.68Å; V686-L762 HydrophobicContact CB-CD2 4.27Å; V686-L762 HydrophobicContact CG1-CD1 4.23Å; V686-L762 HydrophobicContact CG1-CD2 3.87Å
687	W	97.7	Very high	96.7	Very high	19 Å²	19	24.5 Å²	24.5	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-48.1	174	177.8	-117	0	0	0	112	E683 K689 V690 R691 R761 L762 A765 F844	E683-W687 WeakPolarHBondContact O-CB 3.35Å; E683-W687 PolarHBondContact O-N 3.21Å; W687-K689 VanDerWaalsContact C-N 3.26Å; W687-K689 PolarHBondContact O-N 3.43Å; W687-V690 HydrophobicContact CZ3-CG1 4.48Å; W687-V690 PolarHBondContact O-N 2.72Å; W687-R691 HydrophobicContact CD2-CG 4.09Å; W687-R691 HydrophobicContact CH2-CG 4.26Å; W687-R691 VanDerWaalsContact CZ2-CD 3.45Å; W687-R691 HydrophobicContact CZ2-CG 3.78Å; W687-R691 VanDerWaalsContact O-CG 3.3Å; W687-R691 WeakPolarHBondContact O-CG 3.44Å; W687-R691 PolarHBondContact O-N 2.87Å; W687-R761 HydrophobicContact CD2-CB 4.15Å; W687-R761 HydrophobicContact CE3-CB 4.49Å; W687-R761 HydrophobicContact CH2-CB 3.94Å; W687-R761 HydrophobicContact CZ2-CB 3.54Å; W687-R761 HydrophobicContact CZ2-CG 4.28Å; W687-R761 HydrophobicContact CZ3-CB 4.41Å; W687-L762 HydrophobicContact CB-CB 4.41Å; W687-L762 HydrophobicContact CB-CD1 4.47Å; W687-L762 HydrophobicContact CE3-CB 4.27Å; W687-L762 HydrophobicContact CE3-CD1 3.83Å; W687-A765 HydrophobicContact CH2-CB 3.86Å; W687-A765 HydrophobicContact CZ3-CB 3.54Å; W687-F844 AromaticContact CH2-CE1 4Å; W687-F844 HydrophobicContact CH2-CE1 4Å
688	L	98.1	Very high	96.7	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-39.3	174.8	177.1	59.5	0	0	0	111.9	L608 A611 Q612 T615 I648 W650 M653 E684 S685 R691 S692	L608-L688 HydrophobicContact CD1-CD2 3.97Å; A611-L688 HydrophobicContact CB-CD2 3.67Å; Q612-L688 HydrophobicContact CG-CB 4.5Å; Q612-L688 HydrophobicContact CG-CD1 4.1Å; Q612-L688 HydrophobicContact CG-CD2 4.25Å; T615-L688 HydrophobicContact CG2-CD1 4.48Å; I648-L688 HydrophobicContact CD1-CD1 4.47Å; I648-L688 HydrophobicContact CD1-CG 4.5Å; I648-L688 HydrophobicContact CG2-CD2 4.49Å; W650-L688 HydrophobicContact CH2-CB 4.47Å; W650-L688 HydrophobicContact CH2-CD2 4.24Å; W650-L688 HydrophobicContact CH2-CG 3.88Å; W650-L688 HydrophobicContact CZ3-CD2 4.19Å; W650-L688 HydrophobicContact CZ3-CG 4.17Å; M653-L688 HydrophobicContact SD-CD2 3.94Å; E684-L688 VanDerWaalsContact O-CB 3.24Å; E684-L688 WeakPolarHBondContact O-CB 3.39Å; E684-L688 PolarHBondContact O-N 2.98Å; S685-L688 PolarHBondContact O-N 3.32Å; L688-R691 PolarHBondContact O-N 3.27Å; L688-S692 WeakPolarHBondContact O-CB 3.33Å; L688-S692 PolarHBondContact O-N 2.89Å
689	K	97.8	Very high	96.6	Very high	42 Å²	42	15.6 Å²	15.6	18%	0.183	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-44.8	178	-168.1	65.9	175.4	-177.9	0	112	D646 W650 S685 V686 W687 R691 S692 L693 T738	D646-K689 IonicContact OD2-NZ 3.27Å; W650-K689 HydrophobicContact CD2-CD 4.16Å; W650-K689 VanDerWaalsContact CE2-NZ 3.3Å; W650-K689 HydrophobicContact CE3-CD 4.2Å; W650-K689 VanDerWaalsContact CH2-CA 3.48Å; W650-K689 HydrophobicContact CH2-CB 3.8Å; W650-K689 HydrophobicContact CH2-CD 3.38Å; W650-K689 HydrophobicContact CH2-CG 4.22Å; W650-K689 HydrophobicContact CZ2-CD 3.28Å; W650-K689 HydrophobicContact CZ3-CB 3.96Å; W650-K689 HydrophobicContact CZ3-CD 3.83Å; W650-K689 HydrophobicContact CZ3-CG 4.5Å; W650-K689 VanDerWaalsContact NE1-NZ 3.17Å; S685-K689 WeakPolarHBondContact O-CB 3.42Å; S685-K689 PolarHBondContact O-N 3.02Å; V686-K689 WeakPolarHBondContact O-CB 3.37Å; V686-K689 PolarHBondContact O-N 3.27Å; V686-K689 VanDerWaalsContact O-N 3.16Å; W687-K689 VanDerWaalsContact C-N 3.26Å; W687-K689 PolarHBondContact O-N 3.43Å; K689-R691 VanDerWaalsContact C-N 3.31Å; K689-R691 PolarHBondContact O-N 3.33Å; K689-S692 PolarHBondContact O-N 2.97Å; K689-L693 HydrophobicContact CD-CD1 4.44Å; K689-L693 HydrophobicContact CD-CG 4.49Å; K689-L693 HydrophobicContact CG-CD1 3.98Å; K689-L693 HydrophobicContact CG-CG 4.45Å; K689-L693 WeakPolarHBondContact O-CB 3.35Å; K689-L693 VanDerWaalsContact O-CG 3.24Å; K689-L693 WeakPolarHBondContact O-CG 3.45Å; K689-L693 PolarHBondContact O-N 3.42Å; K689-T738 HydrophobicContact CB-CG2 4Å; K689-T738 HydrophobicContact CG-CG2 3.94Å
690	V	97.9	Very high	96.5	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.03	7%	0.074	C	C	.	.	H	α-helix	trans	-55.8	-48.2	173.3	172.6	0	0	0	0	110.2	V686 W687 L693 T694 L735 T738 L739 L762	V686-V690 WeakPolarHBondContact O-CG2 3.19Å; V686-V690 PolarHBondContact O-N 3.36Å; W687-V690 HydrophobicContact CZ3-CG1 4.48Å; W687-V690 PolarHBondContact O-N 2.72Å; V690-L693 PolarHBondContact O-N 3.03Å; V690-T694 PolarHBondContact O-N 3.5Å; V690-T694 PolarHBondContact O-OG1 3.01Å; V690-T694 VanDerWaalsContact O-OG1 3.11Å; V690-L735 HydrophobicContact CG1-CD1 4.25Å; V690-T738 HydrophobicContact CG2-CG2 3.72Å; V690-L739 HydrophobicContact CG1-CD2 4.35Å; V690-L739 HydrophobicContact CG2-CD2 4.01Å; V690-L762 HydrophobicContact CG2-CD1 4.38Å
691	R	97.7	Very high	96.2	Very high	6 Å²	6	15 Å²	15	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-43.2	-177.9	-61.6	-64	-74.2	-177.8	-8.1	113.2	T615 E616 L619 W687 L688 K689 T694 L695 E847	T615-R691 HydrophobicContact CG2-CB 3.88Å; E616-R691 WeakPolarHBondContact OE1-CG 3.25Å; E616-R691 IonicContact OE1-CZ 3.48Å; E616-R691 IonicContact OE1-NE 2.84Å; E616-R691 PolarHBondContact OE1-NE 3.45Å; E616-R691 IonicContact OE1-NH2 3.64Å; E616-R691 IonicContact OE2-CZ 3.99Å; E616-R691 IonicContact OE2-NE 3.89Å; E616-R691 IonicContact OE2-NH2 3.21Å; E616-R691 PolarHBondContact OE2-NH2 2.93Å; L619-R691 HydrophobicContact CD1-CB 4Å; W687-R691 HydrophobicContact CD2-CG 4.09Å; W687-R691 HydrophobicContact CH2-CG 4.26Å; W687-R691 VanDerWaalsContact CZ2-CD 3.45Å; W687-R691 HydrophobicContact CZ2-CG 3.78Å; W687-R691 VanDerWaalsContact O-CG 3.3Å; W687-R691 WeakPolarHBondContact O-CG 3.44Å; W687-R691 PolarHBondContact O-N 2.87Å; L688-R691 PolarHBondContact O-N 3.27Å; K689-R691 VanDerWaalsContact C-N 3.31Å; K689-R691 PolarHBondContact O-N 3.33Å; R691-T694 PolarHBondContact O-N 2.8Å; R691-L695 PolarHBondContact O-N 3.45Å; R691-E847 IonicContact CZ-OE2 3.87Å; R691-E847 IonicContact NH1-OE2 3.92Å; R691-E847 PolarHBondContact NH1-OE2 3.24Å; R691-E847 IonicContact NH2-OE2 3.39Å; R691-E847 PolarHBondContact NH2-OE2 2.99Å; R691-E847 VanDerWaalsContact NH2-OE2 3.16Å
692	S	97.7	Very high	96	Very high	5 Å²	5	12.8 Å²	12.8	4%	0.035	7%	0.065	C	C	.	.	H	α-helix	trans	-62.9	-43.5	175.9	177	0	0	0	0	111.7	L688 K689 L695 R696	L688-S692 WeakPolarHBondContact O-CB 3.33Å; L688-S692 PolarHBondContact O-N 2.89Å; K689-S692 PolarHBondContact O-N 2.97Å; S692-L695 PolarHBondContact O-N 2.96Å; S692-R696 WeakPolarHBondContact O-CG 3.46Å; S692-R696 PolarHBondContact O-N 3.12Å
693	L	97.8	Very high	95.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175.7	-72	171	0	0	0	111.5	K689 V690 L695 R696 L697 L731 Q734 L735	K689-L693 HydrophobicContact CD-CD1 4.44Å; K689-L693 HydrophobicContact CD-CG 4.49Å; K689-L693 HydrophobicContact CG-CD1 3.98Å; K689-L693 HydrophobicContact CG-CG 4.45Å; K689-L693 WeakPolarHBondContact O-CB 3.35Å; K689-L693 VanDerWaalsContact O-CG 3.24Å; K689-L693 WeakPolarHBondContact O-CG 3.45Å; K689-L693 PolarHBondContact O-N 3.42Å; V690-L693 PolarHBondContact O-N 3.03Å; L693-L695 VanDerWaalsContact C-N 3.33Å; L693-L695 PolarHBondContact O-N 3.23Å; L693-R696 PolarHBondContact O-N 3.2Å; L693-L697 WeakPolarHBondContact O-CB 3.34Å; L693-L697 WeakPolarHBondContact O-CG 3.25Å; L693-L697 PolarHBondContact O-N 3.17Å; L693-L731 HydrophobicContact CD2-CD2 3.92Å; L693-Q734 HydrophobicContact CD1-CB 4.12Å; L693-Q734 HydrophobicContact CD2-CB 4.05Å; L693-L735 HydrophobicContact CB-CB 4.48Å; L693-L735 HydrophobicContact CB-CD1 4.2Å; L693-L735 HydrophobicContact CD1-CB 4.25Å; L693-L735 HydrophobicContact CD1-CD1 4.42Å
694	T	97.2	Very high	94.7	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-56.4	-46.7	173.5	-64.4	0	0	0	0	111.5	L619 V690 R691 R696 L697 L698	L619-T694 HydrophobicContact CD2-CG2 4.46Å; V690-T694 PolarHBondContact O-N 3.5Å; V690-T694 PolarHBondContact O-OG1 3.01Å; V690-T694 VanDerWaalsContact O-OG1 3.11Å; R691-T694 PolarHBondContact O-N 2.8Å; T694-R696 PolarHBondContact O-N 3.24Å; T694-L697 PolarHBondContact O-N 3.2Å; T694-L698 HydrophobicContact CG2-CD1 4.22Å; T694-L698 VanDerWaalsContact O-CG 3.3Å; T694-L698 WeakPolarHBondContact O-CG 3.29Å; T694-L698 PolarHBondContact O-N 2.92Å
695	L	97.2	Very high	93.1	Very high	9 Å²	9	14.2 Å²	14.2	5%	0.047	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-47.2	177.6	177.1	62.4	0	0	0	112.2	T615 M618 L619 L622 V641 R691 S692 L693 L697 L698 A699	T615-L695 HydrophobicContact CG2-CD2 4.41Å; M618-L695 HydrophobicContact CB-CD1 4.02Å; M618-L695 HydrophobicContact CB-CD2 3.77Å; M618-L695 HydrophobicContact CG-CD2 4.4Å; M618-L695 HydrophobicContact SD-CD2 3.72Å; L619-L695 HydrophobicContact CD2-CB 3.86Å; L619-L695 HydrophobicContact CD2-CD1 4.03Å; L619-L695 HydrophobicContact CG-CB 4.15Å; L619-L695 HydrophobicContact CG-CD1 4.32Å; L622-L695 HydrophobicContact CD1-CD1 3.66Å; V641-L695 HydrophobicContact CG1-CG 4.41Å; R691-L695 PolarHBondContact O-N 3.45Å; S692-L695 PolarHBondContact O-N 2.96Å; L693-L695 VanDerWaalsContact C-N 3.33Å; L693-L695 PolarHBondContact O-N 3.23Å; L695-L697 VanDerWaalsContact C-N 3.34Å; L695-L697 PolarHBondContact O-N 3.42Å; L695-L698 PolarHBondContact O-N 3.5Å; L695-A699 PolarHBondContact O-N 3.09Å
696	R	95.9	Very high	90.9	Very high	24 Å²	24	19.1 Å²	19.1	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-67.7	-33.1	179.6	-71.2	174.3	63.2	-176.9	6.1	112.7	P643 E644 D646 S692 L693 T694 A699 S700 L731	P643-R696 PolarHBondContact O-NE 2.92Å; P643-R696 PolarHBondContact O-NH2 3.05Å; E644-R696 PolarHBondContact O-NH2 3.03Å; E644-R696 VanDerWaalsContact O-NH2 3.08Å; D646-R696 IonicContact OD2-NH1 3.5Å; D646-R696 PolarHBondContact OD2-NH1 3.46Å; D646-R696 VanDerWaalsContact OD2-NH1 3.15Å; S692-R696 WeakPolarHBondContact O-CG 3.46Å; S692-R696 PolarHBondContact O-N 3.12Å; L693-R696 PolarHBondContact O-N 3.2Å; T694-R696 PolarHBondContact O-N 3.24Å; R696-A699 PolarHBondContact O-N 3.24Å; R696-S700 PolarHBondContact O-N 3.16Å; R696-S700 PolarHBondContact O-OG 3.43Å; R696-L731 HydrophobicContact CB-CD1 4.01Å
697	L	96	Very high	88.4	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-41.9	173	-73.5	168.3	0	0	0	111.6	L693 T694 L695 S700 L701 L728 L731 L732 L735 L778	L693-L697 WeakPolarHBondContact O-CB 3.34Å; L693-L697 WeakPolarHBondContact O-CG 3.25Å; L693-L697 PolarHBondContact O-N 3.17Å; T694-L697 PolarHBondContact O-N 3.2Å; L695-L697 VanDerWaalsContact C-N 3.34Å; L695-L697 PolarHBondContact O-N 3.42Å; L697-S700 WeakPolarHBondContact O-CB 3.38Å; L697-S700 PolarHBondContact O-N 3.36Å; L697-L701 PolarHBondContact O-N 3.31Å; L697-L728 HydrophobicContact CD2-CD1 3.57Å; L697-L731 HydrophobicContact CD2-CB 3.43Å; L697-L731 VanDerWaalsContact CD2-CB 3.43Å; L697-L731 HydrophobicContact CD2-CD1 4.27Å; L697-L731 HydrophobicContact CG-CB 3.99Å; L697-L732 HydrophobicContact CD1-CD2 4.15Å; L697-L732 HydrophobicContact CD1-CG 4.46Å; L697-L732 HydrophobicContact CD2-CD2 4.24Å; L697-L732 HydrophobicContact CD2-CG 3.77Å; L697-L735 HydrophobicContact CD1-CB 4.29Å; L697-L735 HydrophobicContact CD1-CD2 3.67Å; L697-L778 HydrophobicContact CB-CD1 3.93Å; L697-L778 HydrophobicContact CB-CD2 4.32Å; L697-L778 HydrophobicContact CD1-CD1 3.9Å
698	L	95.1	Very high	85.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-40.9	173.4	-69.4	175.3	0	0	0	111.9	L619 L622 T694 L695 S700 L701 A702 L778 V851 W854	L619-L698 HydrophobicContact CD2-CD1 4.19Å; L622-L698 HydrophobicContact CD1-CB 4.4Å; L622-L698 HydrophobicContact CD1-CD1 4.14Å; T694-L698 HydrophobicContact CG2-CD1 4.22Å; T694-L698 VanDerWaalsContact O-CG 3.3Å; T694-L698 WeakPolarHBondContact O-CG 3.29Å; T694-L698 PolarHBondContact O-N 2.92Å; L695-L698 PolarHBondContact O-N 3.5Å; L698-S700 VanDerWaalsContact C-N 3.33Å; L698-S700 PolarHBondContact O-N 2.69Å; L698-L701 WeakPolarHBondContact O-CB 3.33Å; L698-L701 PolarHBondContact O-N 2.8Å; L698-A702 PolarHBondContact O-N 3.06Å; L698-L778 HydrophobicContact CD2-CD2 4.27Å; L698-V851 HydrophobicContact CD1-CG2 4.49Å; L698-V851 HydrophobicContact CD2-CG1 4.26Å; L698-V851 HydrophobicContact CD2-CG2 4.34Å; L698-W854 HydrophobicContact CD1-CE3 4.15Å; L698-W854 HydrophobicContact CD1-CZ3 3.77Å; L698-W854 HydrophobicContact CD2-CE3 3.63Å; L698-W854 HydrophobicContact CD2-CZ3 4.14Å
699	A	93.5	Very high	82.3	Confident	1 Å²	1	29 Å²	29	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-39.9	173.6	0	0	0	0	0	111.9	V636 V641 P643 L695 R696 A702 L703	V636-A699 HydrophobicContact CG1-CB 3.7Å; V636-A699 HydrophobicContact CG2-CB 4.38Å; V641-A699 HydrophobicContact CB-CB 4.24Å; V641-A699 HydrophobicContact CG1-CB 3.64Å; P643-A699 HydrophobicContact CG-CB 3.9Å; L695-A699 PolarHBondContact O-N 3.09Å; R696-A699 PolarHBondContact O-N 3.24Å; A699-A702 PolarHBondContact O-N 3.31Å; A699-L703 WeakPolarHBondContact O-CG 3.11Å; A699-L703 PolarHBondContact O-N 3.27Å
700	S	92.3	Very high	79.3	Confident	9 Å²	9	32 Å²	32	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-47.9	173	-61	0	0	0	0	111.2	P643 R696 L697 L698 A702 L703 L704	P643-S700 WeakPolarHBondContact CB-OG 3.49Å; R696-S700 PolarHBondContact O-N 3.16Å; R696-S700 PolarHBondContact O-OG 3.43Å; L697-S700 WeakPolarHBondContact O-CB 3.38Å; L697-S700 PolarHBondContact O-N 3.36Å; L698-S700 VanDerWaalsContact C-N 3.33Å; L698-S700 PolarHBondContact O-N 2.69Å; S700-A702 VanDerWaalsContact C-N 3.32Å; S700-A702 PolarHBondContact O-N 3.47Å; S700-L703 PolarHBondContact O-N 2.95Å; S700-L704 VanDerWaalsContact O-CG 3.3Å; S700-L704 WeakPolarHBondContact O-CG 3.17Å; S700-L704 PolarHBondContact O-N 3.32Å
701	L	91.5	Very high	76.6	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-44.6	178.4	-175.6	69.2	0	0	0	111.8	L697 L698 L703 L704 W854 V855 Y858	L697-L701 PolarHBondContact O-N 3.31Å; L698-L701 WeakPolarHBondContact O-CB 3.33Å; L698-L701 PolarHBondContact O-N 2.8Å; L701-L703 VanDerWaalsContact C-N 3.34Å; L701-L703 PolarHBondContact O-N 3.39Å; L701-L704 PolarHBondContact O-N 2.82Å; L701-W854 HydrophobicContact CD2-CB 4.02Å; L701-V855 HydrophobicContact CD2-CG2 3.96Å; L701-Y858 HydrophobicContact CD1-CD1 3.68Å; L701-Y858 HydrophobicContact CD1-CD2 4.27Å; L701-Y858 HydrophobicContact CD1-CE1 4.39Å; L701-Y858 HydrophobicContact CD1-CG 3.61Å
702	A	89.7	Confident	73.8	Confident	8 Å²	8	47.4 Å²	47.4	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-42.4	179.1	0	0	0	0	0	112.4	L632 V636 L698 A699 S700 L704 G705	L632-A702 HydrophobicContact CD2-CB 4.02Å; L632-A702 HydrophobicContact CG-CB 3.81Å; V636-A702 HydrophobicContact CB-CB 4.23Å; V636-A702 HydrophobicContact CG2-CB 3.9Å; L698-A702 PolarHBondContact O-N 3.06Å; A699-A702 PolarHBondContact O-N 3.31Å; S700-A702 VanDerWaalsContact C-N 3.32Å; S700-A702 PolarHBondContact O-N 3.47Å; A702-L704 VanDerWaalsContact C-N 3.27Å; A702-L704 PolarHBondContact O-N 2.98Å; A702-G705 PolarHBondContact O-N 3.4Å
703	L	84.2	Confident	70.6	Confident	57 Å²	57	52.2 Å²	52.2	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-73.1	-16.4	179.6	-66.2	175.9	0	0	0	113.8	P643 A699 S700 L701	P643-L703 HydrophobicContact CG-CD1 3.82Å; A699-L703 WeakPolarHBondContact O-CG 3.11Å; A699-L703 PolarHBondContact O-N 3.27Å; S700-L703 PolarHBondContact O-N 2.95Å; L701-L703 VanDerWaalsContact C-N 3.34Å; L701-L703 PolarHBondContact O-N 3.39Å
704	L	80	Confident	67.5	Low	18 Å²	18	59.6 Å²	59.6	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-80.9	-23.6	177.8	-69.2	172.7	0	0	0	113.2	S700 L701 A702 H706 L728 Y858	S700-L704 VanDerWaalsContact O-CG 3.3Å; S700-L704 WeakPolarHBondContact O-CG 3.17Å; S700-L704 PolarHBondContact O-N 3.32Å; L701-L704 PolarHBondContact O-N 2.82Å; A702-L704 VanDerWaalsContact C-N 3.27Å; A702-L704 PolarHBondContact O-N 2.98Å; L704-H706 PolarHBondContact O-N 3.11Å; L704-L728 HydrophobicContact CD1-CD2 3.7Å; L704-Y858 HydrophobicContact CB-CD2 4.43Å; L704-Y858 HydrophobicContact CB-CE2 3.74Å
705	G	63.8	Low	64.6	Low	40 Å²	40	69.2 Å²	69.2	41%	0.412	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.4	-174.7	0	0	0	0	0	115.8	A702	A702-G705 PolarHBondContact O-N 3.4Å
706	H	51	Low	61.6	Low	128 Å²	128	74.8 Å²	74.8	59%	0.593	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	11.5	-167.2	-139.1	-51.4	0	0	0	116.3	E633 L704 P708	E633-H706 IonicContact OE2-CD2 3.84Å; L704-H706 PolarHBondContact O-N 3.11Å; H706-P708 WeakPolarHBondContact O-CD 3.31Å
707	A	44.8	Very low	58.7	Low	60 Å²	60	80.8 Å²	80.8	50%	0.496	46%	0.455	S	S	.	.			trans	-65.6	109.2	173.5	0	0	0	0	0	109.9	S709	A707-S709 PolarHBondContact O-N 2.88Å
708	P	35.7	Very low	55.8	Low	109 Å²	109	89 Å²	89	71%	0.708	49%	0.493	S	S	*	.			trans	-69.4	130.7	172.6	2.4	14.6	0	0	0	107	H706 P710	H706-P708 WeakPolarHBondContact O-CD 3.31Å; P708-P710 WeakPolarHBondContact O-CD 3.33Å; P708-P710 VanDerWaalsContact O-N 3.12Å
709	S	32.3	Very low	53	Low	81 Å²	81	95.8 Å²	95.8	57%	0.566	53%	0.53	S	S	*	.			trans	-56	119.2	165.6	66.4	0	0	0	0	108.4	A707 R711	A707-S709 PolarHBondContact O-N 2.88Å; S709-R711 PolarHBondContact O-N 2.86Å
710	P	34	Very low	50.5	Low	105 Å²	105	98.1 Å²	98.1	68%	0.682	55%	0.554	S	S	*	*			trans	-73.4	85.3	166.7	29.7	-28.6	0	0	0	106.7	P708 N712	P708-P710 WeakPolarHBondContact O-CD 3.33Å; P708-P710 VanDerWaalsContact O-N 3.12Å; P710-N712 PolarHBondContact O-N 3.36Å
711	R	41.6	Very low	48.2	Very low	174 Å²	174	102 Å²	102	66%	0.657	57%	0.573	S	S	*	*			trans	-78.9	100	162	-80	-173.6	175.1	166.5	4.2	106.7	S709 S869	S709-R711 PolarHBondContact O-N 2.86Å; R711-S869 PolarHBondContact NH2-OG 3.07Å
712	N	37.6	Very low	46.2	Very low	159 Å²	159	105.8 Å²	105.8	85%	0.85	60%	0.6	S	S	*	*	S	Bend	trans	86.1	82.3	169.1	-52.9	-15.5	0	0	0	116.7	P710	P710-N712 PolarHBondContact O-N 3.36Å
713	S	30.5	Very low	44.5	Very low	107 Å²	107	107.4 Å²	107.4	75%	0.748	61%	0.613	S	S	*	*			trans	-165.7	149.3	136.6	55.4	0	0	0	0	109.4
714	D	32.9	Very low	43.3	Very low	155 Å²	155	109.5 Å²	109.5	83%	0.829	62%	0.62	S	S	*	*			trans	-49.2	155.3	-165.9	-68.8	-60.7	0	0	0	117.6	T716	D714-T716 PolarHBondContact O-N 2.87Å
715	K	37.1	Very low	42.4	Very low	205 Å²	205	110.3 Å²	110.3	89%	0.891	63%	0.627	S	S	*	*	S	Bend	trans	-39.4	93.1	171.3	-65.2	174	174.3	179.8	0	113.3
716	T	34.1	Very low	43	Very low	126 Å²	126	111.1 Å²	111.1	77%	0.773	63%	0.626	S	S	*	*			trans	-176.1	90.5	150.7	32.9	0	0	0	0	110.3	D714	D714-T716 PolarHBondContact O-N 2.87Å
717	N	34.2	Very low	44.7	Very low	150 Å²	150	106 Å²	106	80%	0.802	60%	0.604	S	S	*	*			trans	166.3	59.8	146.1	-86.1	-14.5	0	0	0	111.4	N719	N717-N719 VanDerWaalsContact C-N 3.29Å; N717-N719 PolarHBondContact O-N 3.19Å
718	E	36	Very low	46.7	Very low	171 Å²	171	103.2 Å²	103.2	80%	0.799	58%	0.581	S	S	*	*			trans	-76	-12.9	175.2	-72.1	-177.9	162.7	0	0	113.6	G720	E718-G720 PolarHBondContact O-N 3Å
719	N	36.1	Very low	49.3	Very low	144 Å²	144	103.9 Å²	103.9	77%	0.77	58%	0.575	S	S	*	*	H	α-helix	trans	-71.6	-29.9	-169.2	-69.9	-4.9	0	0	0	115	N717	N717-N719 VanDerWaalsContact C-N 3.29Å; N717-N719 PolarHBondContact O-N 3.19Å
720	G	42	Very low	52.2	Low	49 Å²	49	103.6 Å²	103.6	51%	0.505	57%	0.57	S	S	.	*	H	α-helix	trans	-83.6	-24.8	-173.6	0	0	0	0	0	115.6	E718	E718-G720 PolarHBondContact O-N 3Å
721	I	42.2	Very low	55.2	Low	91 Å²	91	98.8 Å²	98.8	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-87.4	-37.4	-177.4	-62	174.7	0	0	0	110.4	R785	I721-R785 VanDerWaalsContact CG2-NH2 3.28Å; I721-R785 PolarHBondContact O-NH2 3.46Å
722	S	49.9	Very low	57.7	Low	85 Å²	85	90.6 Å²	90.6	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-45.7	174.4	-174.9	0	0	0	0	111.8	K724 S725 S726	S722-K724 PolarHBondContact O-N 2.95Å; S722-S725 WeakPolarHBondContact O-CB 3.49Å; S722-S725 PolarHBondContact O-N 3.28Å; S722-S725 VanDerWaalsContact O-N 3.07Å; S722-S726 PolarHBondContact O-N 3.21Å; S722-S726 VanDerWaalsContact O-N 3.17Å; S722-S726 PolarHBondContact O-OG 3.43Å
723	A	54.7	Low	60.5	Low	41 Å²	41	86.6 Å²	86.6	34%	0.339	49%	0.492	S	S	.	.	H	α-helix	trans	-58	-41.6	-179.2	0	0	0	0	0	114	S725 S726 T727	A723-S725 VanDerWaalsContact C-N 3.31Å; A723-S725 PolarHBondContact O-N 3.43Å; A723-S726 WeakPolarHBondContact CA-OG 3.42Å; A723-S726 PolarHBondContact O-N 3.3Å; A723-S726 PolarHBondContact O-OG 2.88Å; A723-T727 PolarHBondContact O-N 2.99Å; A723-T727 PolarHBondContact O-OG1 3.22Å; A723-T727 VanDerWaalsContact O-OG1 3.09Å
724	K	58.8	Low	63.6	Low	102 Å²	102	84.7 Å²	84.7	44%	0.443	47%	0.471	S	S	.	.	H	α-helix	trans	-69.7	-27.1	178.1	-65.5	-176.5	179.5	-173.5	0	113.4	S722 L728	S722-K724 PolarHBondContact O-N 2.95Å; K724-L728 PolarHBondContact O-N 2.93Å
725	S	61	Low	66.7	Low	35 Å²	35	77.4 Å²	77.4	25%	0.245	43%	0.432	C	S	.	.	H	α-helix	trans	-74.2	-39	176.3	-155.1	0	0	0	0	111.4	S722 A723 T727 Q729 R785	S722-S725 WeakPolarHBondContact O-CB 3.49Å; S722-S725 PolarHBondContact O-N 3.28Å; S722-S725 VanDerWaalsContact O-N 3.07Å; A723-S725 VanDerWaalsContact C-N 3.31Å; A723-S725 PolarHBondContact O-N 3.43Å; S725-T727 VanDerWaalsContact C-N 3.32Å; S725-T727 PolarHBondContact O-N 3.14Å; S725-Q729 PolarHBondContact O-N 2.92Å; S725-R785 VanDerWaalsContact CB-NH1 3.31Å
726	S	75.9	Confident	69.5	Low	56 Å²	56	71.1 Å²	71.1	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-35.3	174.3	44.3	0	0	0	0	112.5	S722 A723 T730	S722-S726 PolarHBondContact O-N 3.21Å; S722-S726 VanDerWaalsContact O-N 3.17Å; S722-S726 PolarHBondContact O-OG 3.43Å; A723-S726 WeakPolarHBondContact CA-OG 3.42Å; A723-S726 PolarHBondContact O-N 3.3Å; A723-S726 PolarHBondContact O-OG 2.88Å; S726-T730 WeakPolarHBondContact O-CB 3.41Å; S726-T730 PolarHBondContact O-N 3.42Å; S726-T730 PolarHBondContact O-OG1 2.93Å
727	T	86.2	Confident	72.5	Confident	22 Å²	22	71.1 Å²	71.1	14%	0.135	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-51.1	177.3	-55.6	0	0	0	0	111.6	P643 E644 A723 S725 Q729 T730 L731	P643-T727 HydrophobicContact CB-CG2 4.27Å; E644-T727 HydrophobicContact CG-CG2 3.54Å; E644-T727 PolarHBondContact OE1-OG1 3.38Å; E644-T727 VanDerWaalsContact OE1-OG1 3.05Å; A723-T727 PolarHBondContact O-N 2.99Å; A723-T727 PolarHBondContact O-OG1 3.22Å; A723-T727 VanDerWaalsContact O-OG1 3.09Å; S725-T727 VanDerWaalsContact C-N 3.32Å; S725-T727 PolarHBondContact O-N 3.14Å; T727-Q729 VanDerWaalsContact C-N 3.34Å; T727-Q729 PolarHBondContact O-N 3.39Å; T727-T730 PolarHBondContact O-N 3.5Å; T727-L731 HydrophobicContact CG2-CD1 4.1Å; T727-L731 HydrophobicContact CG2-CG 4.48Å; T727-L731 WeakPolarHBondContact O-CG 3.11Å; T727-L731 PolarHBondContact O-N 3.41Å
728	L	87.6	Confident	75.5	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-44.3	178.7	178.4	63.3	0	0	0	112	L697 L704 K724 L731 L732 S781 L782	L697-L728 HydrophobicContact CD2-CD1 3.57Å; L704-L728 HydrophobicContact CD1-CD2 3.7Å; K724-L728 PolarHBondContact O-N 2.93Å; L728-L731 PolarHBondContact O-N 3.03Å; L728-L732 HydrophobicContact CD1-CD1 4.08Å; L728-L732 HydrophobicContact CG-CD1 4.05Å; L728-L732 PolarHBondContact O-N 3.41Å; L728-S781 WeakPolarHBondContact CD2-OG 3.36Å; L728-L782 HydrophobicContact CB-CD2 4.18Å; L728-L782 HydrophobicContact CD2-CD2 3.5Å; L728-L782 HydrophobicContact CD2-CG 3.88Å; L728-L782 HydrophobicContact CG-CD2 3.76Å; L728-L782 HydrophobicContact CG-CG 4.13Å
729	Q	90.8	Very high	78.4	Confident	123 Å²	123	57.7 Å²	57.7	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-40.6	177.7	-174	177.2	5.6	0	0	112.4	S725 T727 L732 S733 L782	S725-Q729 PolarHBondContact O-N 2.92Å; T727-Q729 VanDerWaalsContact C-N 3.34Å; T727-Q729 PolarHBondContact O-N 3.39Å; Q729-L732 PolarHBondContact O-N 2.95Å; Q729-S733 PolarHBondContact O-N 2.93Å; Q729-L782 HydrophobicContact CB-CD1 4.39Å; Q729-L782 HydrophobicContact CB-CD2 4.47Å
730	T	93.6	Very high	81.3	Confident	75 Å²	75	56.9 Å²	56.9	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-44.9	177.8	-58.1	0	0	0	0	111	S726 T727 S733 Q734	S726-T730 WeakPolarHBondContact O-CB 3.41Å; S726-T730 PolarHBondContact O-N 3.42Å; S726-T730 PolarHBondContact O-OG1 2.93Å; T727-T730 PolarHBondContact O-N 3.5Å; T730-S733 PolarHBondContact O-N 3.43Å; T730-Q734 WeakPolarHBondContact O-CG 3.4Å; T730-Q734 PolarHBondContact O-N 2.76Å
731	L	95.3	Very high	83.8	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-38.5	179.2	-68.7	174.9	0	0	0	112.5	P643 L693 R696 L697 T727 L728 Q734 L735	P643-L731 HydrophobicContact CB-CD1 4.35Å; L693-L731 HydrophobicContact CD2-CD2 3.92Å; R696-L731 HydrophobicContact CB-CD1 4.01Å; L697-L731 HydrophobicContact CD2-CB 3.43Å; L697-L731 VanDerWaalsContact CD2-CB 3.43Å; L697-L731 HydrophobicContact CD2-CD1 4.27Å; L697-L731 HydrophobicContact CG-CB 3.99Å; T727-L731 HydrophobicContact CG2-CD1 4.1Å; T727-L731 HydrophobicContact CG2-CG 4.48Å; T727-L731 WeakPolarHBondContact O-CG 3.11Å; T727-L731 PolarHBondContact O-N 3.41Å; L728-L731 PolarHBondContact O-N 3.03Å; L731-Q734 PolarHBondContact O-N 2.83Å; L731-L735 PolarHBondContact O-N 3.46Å
732	L	95	Very high	86.4	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-44.9	175	-81	159.8	0	0	0	111.4	L697 L728 Q729 Q734 L735 D736 L778 L782	L697-L732 HydrophobicContact CD1-CD2 4.15Å; L697-L732 HydrophobicContact CD1-CG 4.46Å; L697-L732 HydrophobicContact CD2-CD2 4.24Å; L697-L732 HydrophobicContact CD2-CG 3.77Å; L728-L732 HydrophobicContact CD1-CD1 4.08Å; L728-L732 HydrophobicContact CG-CD1 4.05Å; L728-L732 PolarHBondContact O-N 3.41Å; Q729-L732 PolarHBondContact O-N 2.95Å; L732-Q734 VanDerWaalsContact C-N 3.3Å; L732-Q734 PolarHBondContact O-N 3.46Å; L732-L735 WeakPolarHBondContact O-CB 3.47Å; L732-L735 PolarHBondContact O-N 2.97Å; L732-L735 VanDerWaalsContact O-N 3.08Å; L732-D736 PolarHBondContact O-N 3.26Å; L732-L778 HydrophobicContact CD2-CB 3.89Å; L732-L782 HydrophobicContact CD1-CD1 3.41Å; L732-L782 VanDerWaalsContact CD1-CD1 3.41Å; L732-L782 HydrophobicContact CD1-CG 3.87Å
733	S	95.6	Very high	88.5	Confident	75 Å²	75	50.6 Å²	50.6	52%	0.524	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-38.8	174.9	-179	0	0	0	0	112.4	Q729 T730 Q737	Q729-S733 PolarHBondContact O-N 2.93Å; T730-S733 PolarHBondContact O-N 3.43Å; S733-Q737 WeakPolarHBondContact O-CB 3.34Å; S733-Q737 PolarHBondContact O-N 2.9Å; S733-Q737 VanDerWaalsContact O-N 3.11Å
734	Q	96.6	Very high	90.4	Very high	66 Å²	66	54.2 Å²	54.2	31%	0.308	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-38.1	174.1	-72.8	178.6	14	0	0	111.9	L693 T730 L731 L732 T738	L693-Q734 HydrophobicContact CD1-CB 4.12Å; L693-Q734 HydrophobicContact CD2-CB 4.05Å; T730-Q734 WeakPolarHBondContact O-CG 3.4Å; T730-Q734 PolarHBondContact O-N 2.76Å; L731-Q734 PolarHBondContact O-N 2.83Å; L732-Q734 VanDerWaalsContact C-N 3.3Å; L732-Q734 PolarHBondContact O-N 3.46Å; Q734-T738 WeakPolarHBondContact O-CB 3.25Å; Q734-T738 PolarHBondContact O-N 3.37Å; Q734-T738 PolarHBondContact O-OG1 3.19Å
735	L	97.2	Very high	92	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-49	176.5	179.3	63.7	0	0	0	110.5	V690 L693 L697 L731 L732 Q737 T738 L739 A775	V690-L735 HydrophobicContact CG1-CD1 4.25Å; L693-L735 HydrophobicContact CB-CB 4.48Å; L693-L735 HydrophobicContact CB-CD1 4.2Å; L693-L735 HydrophobicContact CD1-CB 4.25Å; L693-L735 HydrophobicContact CD1-CD1 4.42Å; L697-L735 HydrophobicContact CD1-CB 4.29Å; L697-L735 HydrophobicContact CD1-CD2 3.67Å; L731-L735 PolarHBondContact O-N 3.46Å; L732-L735 WeakPolarHBondContact O-CB 3.47Å; L732-L735 PolarHBondContact O-N 2.97Å; L732-L735 VanDerWaalsContact O-N 3.08Å; L735-Q737 PolarHBondContact O-N 3.44Å; L735-T738 CarbonylContact O-C 3.5Å; L735-T738 WeakPolarHBondContact O-CB 3.39Å; L735-T738 PolarHBondContact O-N 3.01Å; L735-T738 VanDerWaalsContact O-N 3.1Å; L735-L739 HydrophobicContact CD1-CD1 4.35Å; L735-L739 HydrophobicContact CD1-CG 4.2Å; L735-L739 HydrophobicContact CG-CD1 4.11Å; L735-L739 HydrophobicContact CG-CG 4.35Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.3Å; L735-L739 PolarHBondContact O-N 2.9Å; L735-A775 HydrophobicContact CD2-CB 4.08Å
736	D	96.4	Very high	93.4	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-46.7	179	-70.2	-28.7	0	0	0	111.6	L732 T738 L739 E740	L732-D736 PolarHBondContact O-N 3.26Å; D736-T738 VanDerWaalsContact C-N 3.3Å; D736-T738 PolarHBondContact O-N 3.04Å; D736-L739 PolarHBondContact O-N 3.42Å; D736-L739 VanDerWaalsContact O-N 3.15Å; D736-E740 PolarHBondContact O-N 3.07Å
737	Q	97.2	Very high	94.1	Very high	125 Å²	125	55 Å²	55	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-38.6	175.4	-173.2	-179.5	21.1	0	0	112.4	S733 L735 L739 E740 T741	S733-Q737 WeakPolarHBondContact O-CB 3.34Å; S733-Q737 PolarHBondContact O-N 2.9Å; S733-Q737 VanDerWaalsContact O-N 3.11Å; L735-Q737 PolarHBondContact O-N 3.44Å; Q737-L739 VanDerWaalsContact C-N 3.35Å; Q737-E740 PolarHBondContact O-N 3.43Å; Q737-T741 PolarHBondContact O-N 2.91Å; Q737-T741 VanDerWaalsContact O-N 3.07Å; Q737-T741 PolarHBondContact O-OG1 2.96Å
738	T	97.6	Very high	94	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-37.3	177	-56.3	0	0	0	0	110.9	V686 K689 V690 Q734 L735 D736 T741 A742	V686-T738 HydrophobicContact CG1-CG2 4.11Å; K689-T738 HydrophobicContact CB-CG2 4Å; K689-T738 HydrophobicContact CG-CG2 3.94Å; V690-T738 HydrophobicContact CG2-CG2 3.72Å; Q734-T738 WeakPolarHBondContact O-CB 3.25Å; Q734-T738 PolarHBondContact O-N 3.37Å; Q734-T738 PolarHBondContact O-OG1 3.19Å; L735-T738 CarbonylContact O-C 3.5Å; L735-T738 WeakPolarHBondContact O-CB 3.39Å; L735-T738 PolarHBondContact O-N 3.01Å; L735-T738 VanDerWaalsContact O-N 3.1Å; D736-T738 VanDerWaalsContact C-N 3.3Å; D736-T738 PolarHBondContact O-N 3.04Å; T738-T741 WeakPolarHBondContact O-CB 3.35Å; T738-T741 PolarHBondContact O-N 3.21Å; T738-A742 WeakPolarHBondContact O-CB 3.35Å; T738-A742 PolarHBondContact O-N 3.12Å
739	L	97	Very high	93.8	Very high	21 Å²	21	68.1 Å²	68.1	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-69.2	-35.5	176.6	-68.5	178.1	0	0	0	112.3	V690 L735 D736 Q737 A742 A743 L766 C771 A775	V690-L739 HydrophobicContact CG1-CD2 4.35Å; V690-L739 HydrophobicContact CG2-CD2 4.01Å; L735-L739 HydrophobicContact CD1-CD1 4.35Å; L735-L739 HydrophobicContact CD1-CG 4.2Å; L735-L739 HydrophobicContact CG-CD1 4.11Å; L735-L739 HydrophobicContact CG-CG 4.35Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.3Å; L735-L739 PolarHBondContact O-N 2.9Å; D736-L739 PolarHBondContact O-N 3.42Å; D736-L739 VanDerWaalsContact O-N 3.15Å; Q737-L739 VanDerWaalsContact C-N 3.35Å; L739-A742 WeakPolarHBondContact O-CB 3.49Å; L739-A742 PolarHBondContact O-N 2.95Å; L739-A743 PolarHBondContact O-N 3.06Å; L739-L766 HydrophobicContact CD2-CD2 4.1Å; L739-C771 HydrophobicContact CD1-CB 4.25Å; L739-C771 HydrophobicContact CD2-CB 3.63Å; L739-A775 HydrophobicContact CD1-CB 4.26Å
740	E	96	Very high	93.6	Very high	127 Å²	127	64.6 Å²	64.6	59%	0.593	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-45.1	170.6	-71.4	176.7	179.8	0	0	111.4	D736 Q737 A742 A743 Q744	D736-E740 PolarHBondContact O-N 3.07Å; Q737-E740 PolarHBondContact O-N 3.43Å; E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 3.06Å; E740-A743 WeakPolarHBondContact O-CB 3.28Å; E740-A743 PolarHBondContact O-N 3.41Å; E740-Q744 WeakPolarHBondContact O-CG 3.3Å; E740-Q744 PolarHBondContact O-N 3.12Å; E740-Q744 VanDerWaalsContact O-N 3.11Å
741	T	95.9	Very high	93.3	Very high	55 Å²	55	69.1 Å²	69.1	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-42.1	175.1	-54.1	0	0	0	0	110.9	V686 Q737 T738 A743 Q744 I745	V686-T741 HydrophobicContact CG2-CG2 4.41Å; Q737-T741 PolarHBondContact O-N 2.91Å; Q737-T741 VanDerWaalsContact O-N 3.07Å; Q737-T741 PolarHBondContact O-OG1 2.96Å; T738-T741 WeakPolarHBondContact O-CB 3.35Å; T738-T741 PolarHBondContact O-N 3.21Å; T741-A743 PolarHBondContact O-N 3.21Å; T741-Q744 PolarHBondContact O-N 3.14Å; T741-I745 HydrophobicContact CG2-CD1 4.18Å; T741-I745 WeakPolarHBondContact O-CG1 3.48Å; T741-I745 PolarHBondContact O-N 2.76Å
742	A	95.4	Very high	93.1	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-40	176.7	0	0	0	0	0	112.7	V686 T738 L739 E740 I745 T746 L762 L766	V686-A742 HydrophobicContact CG1-CB 3.81Å; T738-A742 WeakPolarHBondContact O-CB 3.35Å; T738-A742 PolarHBondContact O-N 3.12Å; L739-A742 WeakPolarHBondContact O-CB 3.49Å; L739-A742 PolarHBondContact O-N 2.95Å; E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 3.06Å; A742-I745 PolarHBondContact O-N 3.42Å; A742-T746 WeakPolarHBondContact O-CB 3.3Å; A742-T746 WeakPolarHBondContact O-CG2 3.47Å; A742-T746 PolarHBondContact O-N 3.3Å; A742-T746 PolarHBondContact O-OG1 2.75Å; A742-L762 HydrophobicContact CB-CD1 3.68Å; A742-L762 HydrophobicContact CB-CD2 3.89Å; A742-L762 HydrophobicContact CB-CG 3.98Å; A742-L766 HydrophobicContact CB-CD1 3.91Å
743	A	95.1	Very high	93	Very high	37 Å²	37	71.9 Å²	71.9	31%	0.306	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-46.4	174.7	0	0	0	0	0	111.1	L739 E740 T741 I745 T746 E747	L739-A743 PolarHBondContact O-N 3.06Å; E740-A743 WeakPolarHBondContact O-CB 3.28Å; E740-A743 PolarHBondContact O-N 3.41Å; T741-A743 PolarHBondContact O-N 3.21Å; A743-I745 VanDerWaalsContact C-N 3.34Å; A743-I745 PolarHBondContact O-N 3.32Å; A743-T746 WeakPolarHBondContact CA-OG1 3.34Å; A743-T746 PolarHBondContact O-N 2.68Å; A743-T746 PolarHBondContact O-OG1 2.9Å; A743-E747 WeakPolarHBondContact O-CG 3.34Å; A743-E747 PolarHBondContact O-N 3.18Å
744	Q	94.1	Very high	92.9	Very high	118 Å²	118	70.3 Å²	70.3	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-37	178	-67.1	173.2	11.3	0	0	113.4	E740 T741	E740-Q744 WeakPolarHBondContact O-CG 3.3Å; E740-Q744 PolarHBondContact O-N 3.12Å; E740-Q744 VanDerWaalsContact O-N 3.11Å; T741-Q744 PolarHBondContact O-N 3.14Å
745	I	92	Very high	92.7	Very high	20 Å²	20	68.2 Å²	68.2	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-44.5	176.4	-70.1	169	0	0	0	110.4	E682 V686 T741 A742 A743 E747 K748	E682-I745 HydrophobicContact CG-CD1 4.07Å; V686-I745 HydrophobicContact CB-CD1 4.33Å; V686-I745 HydrophobicContact CG2-CD1 3.68Å; T741-I745 HydrophobicContact CG2-CD1 4.18Å; T741-I745 WeakPolarHBondContact O-CG1 3.48Å; T741-I745 PolarHBondContact O-N 2.76Å; A742-I745 PolarHBondContact O-N 3.42Å; A743-I745 VanDerWaalsContact C-N 3.34Å; A743-I745 PolarHBondContact O-N 3.32Å; I745-E747 VanDerWaalsContact C-N 3.33Å; I745-E747 PolarHBondContact O-N 2.94Å; I745-K748 WeakPolarHBondContact O-CB 3.42Å; I745-K748 PolarHBondContact O-N 3.22Å; I745-K748 VanDerWaalsContact O-N 3.17Å
746	T	90.3	Very high	92.5	Very high	40 Å²	40	68.5 Å²	68.5	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-71.2	-26.8	-176.6	51.2	0	0	0	0	113.1	A742 A743 K748 Q749 L762 A763 L766	A742-T746 WeakPolarHBondContact O-CB 3.3Å; A742-T746 WeakPolarHBondContact O-CG2 3.47Å; A742-T746 PolarHBondContact O-N 3.3Å; A742-T746 PolarHBondContact O-OG1 2.75Å; A743-T746 WeakPolarHBondContact CA-OG1 3.34Å; A743-T746 PolarHBondContact O-N 2.68Å; A743-T746 PolarHBondContact O-OG1 2.9Å; T746-K748 PolarHBondContact O-N 3.23Å; T746-Q749 PolarHBondContact O-N 2.93Å; T746-L762 HydrophobicContact CG2-CD2 4.28Å; T746-L762 HydrophobicContact CG2-CG 4.22Å; T746-A763 HydrophobicContact CG2-CB 3.81Å; T746-L766 HydrophobicContact CG2-CD1 4.05Å
747	E	90.6	Very high	92.3	Very high	150 Å²	150	65 Å²	65	70%	0.701	33%	0.325	S	S	*	.	H	α-helix	trans	-59.9	-27.5	170.1	-79	175.3	-173.2	0	0	113.4	A743 I745 Q749	A743-E747 WeakPolarHBondContact O-CG 3.34Å; A743-E747 PolarHBondContact O-N 3.18Å; I745-E747 VanDerWaalsContact C-N 3.33Å; I745-E747 PolarHBondContact O-N 2.94Å; E747-Q749 VanDerWaalsContact C-N 3.26Å; E747-Q749 PolarHBondContact O-N 2.97Å
748	K	85.4	Confident	92.1	Very high	135 Å²	135	59.3 Å²	59.3	59%	0.587	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.7	-179.4	-62.3	176	-174.9	172.3	0	113.8	I745 T746 T750	I745-K748 WeakPolarHBondContact O-CB 3.42Å; I745-K748 PolarHBondContact O-N 3.22Å; I745-K748 VanDerWaalsContact O-N 3.17Å; T746-K748 PolarHBondContact O-N 3.23Å; K748-T750 VanDerWaalsContact C-N 3.35Å; K748-T750 PolarHBondContact O-N 3.23Å
749	Q	83.2	Confident	91.7	Very high	163 Å²	163	60.8 Å²	60.8	76%	0.762	31%	0.309	S	S	*	.			trans	47.1	49.3	178.3	-62	-172.6	-6.9	0	0	114.5	T746 E747 Q751	T746-Q749 PolarHBondContact O-N 2.93Å; E747-Q749 VanDerWaalsContact C-N 3.26Å; E747-Q749 PolarHBondContact O-N 2.97Å; Q749-Q751 PolarHBondContact O-N 3.39Å
750	T	86.2	Confident	91.5	Very high	48 Å²	48	60 Å²	60	29%	0.294	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-57.7	126.7	177.8	-51.6	0	0	0	0	111.2	L679 K748 Y752	L679-T750 HydrophobicContact CB-CG2 4.41Å; L679-T750 HydrophobicContact CD1-CG2 3.71Å; K748-T750 VanDerWaalsContact C-N 3.35Å; K748-T750 PolarHBondContact O-N 3.23Å; T750-Y752 HydrophobicContact CG2-CD1 4.16Å; T750-Y752 HydrophobicContact CG2-CE1 3.67Å
751	Q	87.2	Confident	91.4	Very high	170 Å²	170	54.5 Å²	54.5	79%	0.794	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-102.1	122.4	172	-66	-171.7	0.7	0	0	109.8	Q749	Q749-Q751 PolarHBondContact O-N 3.39Å
752	Y	92.2	Very high	91.4	Very high	32 Å²	32	51.9 Å²	51.9	13%	0.125	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-92.4	149.9	173.8	-57.2	-64.7	0	0	0	110.7	H676 L679 S680 E683 T750 P757	H676-Y752 HydrophobicContact CB-CD1 4.21Å; L679-Y752 HydrophobicContact CB-CE1 4.27Å; S680-Y752 WeakPolarHBondContact CA-OH 3.34Å; S680-Y752 PolarHBondContact N-OH 3.49Å; E683-Y752 VanDerWaalsContact OE2-CE2 3.32Å; E683-Y752 WeakPolarHBondContact OE2-CE2 3.36Å; E683-Y752 PolarHBondContact OE2-OH 2.85Å; T750-Y752 HydrophobicContact CG2-CD1 4.16Å; T750-Y752 HydrophobicContact CG2-CE1 3.67Å; Y752-P757 HydrophobicContact CD1-CG 3.84Å; Y752-P757 HydrophobicContact CE1-CG 4.25Å; Y752-P757 HydrophobicContact CG-CG 4.05Å
753	P	92.6	Very high	91.4	Very high	32 Å²	32	54 Å²	54	21%	0.208	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.8	147.1	167.6	-23.2	33.5	0	0	0	110.9	L755 G756	P753-L755 VanDerWaalsContact C-N 3.3Å; P753-L755 PolarHBondContact O-N 2.85Å; P753-G756 WeakPolarHBondContact O-CA 3.32Å; P753-G756 PolarHBondContact O-N 3.16Å
754	F	92.5	Very high	91.4	Very high	42 Å²	42	54 Å²	54	18%	0.184	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-43.3	-176.5	175.5	-96.9	0	0	0	113.2	V477 W480 L512 L515 L516 R519 G756	V477-F754 HydrophobicContact CG1-CB 4.39Å; V477-F754 HydrophobicContact CG1-CD1 3.62Å; V477-F754 HydrophobicContact CG1-CD2 4.07Å; V477-F754 HydrophobicContact CG1-CE1 3.87Å; V477-F754 HydrophobicContact CG1-CE2 4.29Å; V477-F754 HydrophobicContact CG1-CG 3.74Å; V477-F754 HydrophobicContact CG1-CZ 4.22Å; V477-F754 HydrophobicContact CG2-CE1 4.21Å; V477-F754 HydrophobicContact CG2-CZ 4.45Å; W480-F754 HydrophobicContact CH2-CE2 4.35Å; W480-F754 AromaticContact CZ3-CD2 3.99Å; W480-F754 HydrophobicContact CZ3-CD2 3.99Å; W480-F754 AromaticContact CZ3-CE2 3.67Å; W480-F754 HydrophobicContact CZ3-CE2 3.67Å; L512-F754 HydrophobicContact CD1-CE1 3.89Å; L515-F754 HydrophobicContact CD2-CD1 4.21Å; L515-F754 HydrophobicContact CD2-CE1 3.61Å; L515-F754 HydrophobicContact CD2-CZ 3.78Å; L515-F754 HydrophobicContact CG-CE1 4.33Å; L515-F754 HydrophobicContact CG-CZ 4.01Å; L516-F754 HydrophobicContact CD2-CE1 4.21Å; L516-F754 HydrophobicContact CD2-CE2 4.4Å; L516-F754 HydrophobicContact CD2-CZ 3.53Å; L516-F754 HydrophobicContact CG-CZ 4.4Å; R519-F754 HydrophobicContact CG-CE2 4.08Å; F754-G756 VanDerWaalsContact C-N 3.26Å; F754-G756 PolarHBondContact O-N 2.68Å
755	L	93.3	Very high	91.4	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.12	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.8	176.9	-56	177.1	0	0	0	113.3	L512 L515 L662 P753	L512-L755 HydrophobicContact CD1-CD2 4.05Å; L515-L755 HydrophobicContact CD2-CD2 4.36Å; L662-L755 HydrophobicContact CB-CB 4.34Å; L662-L755 HydrophobicContact CB-CD2 4.27Å; L662-L755 HydrophobicContact CD1-CB 4.45Å; L662-L755 HydrophobicContact CD1-CD2 4.02Å; L662-L755 HydrophobicContact CD2-CD2 4.49Å; L662-L755 HydrophobicContact CG-CD2 4.5Å; P753-L755 VanDerWaalsContact C-N 3.3Å; P753-L755 PolarHBondContact O-N 2.85Å
756	G	92	Very high	91.6	Very high	9 Å²	9	49.7 Å²	49.7	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	-83.8	-162.5	178.3	0	0	0	0	0	112.9	P753 F754	P753-G756 WeakPolarHBondContact O-CA 3.32Å; P753-G756 PolarHBondContact O-N 3.16Å; F754-G756 VanDerWaalsContact C-N 3.26Å; F754-G756 PolarHBondContact O-N 2.68Å
757	P	93.4	Very high	91.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-62.5	137.6	178.5	25.1	-32.3	0	0	0	110.9	L659 L672 S680 Y752	L659-P757 HydrophobicContact CD1-CB 4.03Å; L659-P757 HydrophobicContact CD1-CG 4.31Å; L659-P757 HydrophobicContact CD2-CB 4.02Å; L672-P757 HydrophobicContact CD1-CG 4.24Å; S680-P757 VanDerWaalsContact OG-CB 3.28Å; S680-P757 WeakPolarHBondContact OG-CB 3.48Å; Y752-P757 HydrophobicContact CD1-CG 3.84Å; Y752-P757 HydrophobicContact CE1-CG 4.25Å; Y752-P757 HydrophobicContact CG-CG 4.05Å
758	P	91.3	Very high	92	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.032	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-67.6	138.4	170	30.9	-34.7	0	0	0	109.7	Y545 R549 Y550	Y545-P758 HydrophobicContact CD2-CG 4.29Å; Y545-P758 HydrophobicContact CE2-CG 4.08Å; R549-P758 HydrophobicContact CG-CG 4.24Å; Y550-P758 HydrophobicContact CE2-CB 4.44Å; Y550-P758 WeakPolarHBondContact OH-CB 3.11Å
759	S	90.2	Very high	92.4	Very high	49 Å²	49	39 Å²	39	34%	0.343	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-56.8	147.3	169.8	-51.4	0	0	0	0	110.5	R549	R549-S759 VanDerWaalsContact CZ-O 3.24Å; R549-S759 PolarHBondContact NE-O 3.16Å; R549-S759 PolarHBondContact NH2-O 2.99Å
760	S	93.4	Very high	93	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	19%	0.188	C	C	.	.			trans	-71.4	178	176.5	81.1	0	0	0	0	111.1	R549 E683 L762	R549-S760 PolarHBondContact NH2-O 2.89Å; E683-S760 VanDerWaalsContact CD-OG 3.28Å; E683-S760 WeakPolarHBondContact CG-OG 3.41Å; E683-S760 VanDerWaalsContact OE1-CB 3.27Å; E683-S760 WeakPolarHBondContact OE1-CB 3.29Å; E683-S760 PolarHBondContact OE1-N 3.47Å; E683-S760 PolarHBondContact OE1-OG 3.5Å; S760-L762 PolarHBondContact O-N 3.29Å; S760-L762 WeakPolarHBondContact OG-CB 3.44Å; S760-L762 PolarHBondContact OG-N 2.89Å
761	R	94.3	Very high	93.5	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.045	18%	0.177	C	C	.	.	S	Bend	trans	-79.7	-3.3	173.8	-68.5	-174.4	76.8	-164.5	-3.4	112.8	R549 W687 A763 S764 A765 E840 F844 E847	R549-R761 VanDerWaalsContact CZ-CG 3.45Å; W687-R761 HydrophobicContact CD2-CB 4.15Å; W687-R761 HydrophobicContact CE3-CB 4.49Å; W687-R761 HydrophobicContact CH2-CB 3.94Å; W687-R761 HydrophobicContact CZ2-CB 3.54Å; W687-R761 HydrophobicContact CZ2-CG 4.28Å; W687-R761 HydrophobicContact CZ3-CB 4.41Å; R761-A763 PolarHBondContact O-N 3.41Å; R761-S764 PolarHBondContact O-N 3.38Å; R761-A765 VanDerWaalsContact O-CB 3.26Å; R761-A765 WeakPolarHBondContact O-CB 3.39Å; R761-A765 PolarHBondContact O-N 3.23Å; R761-E840 WeakPolarHBondContact CG-OE1 3.49Å; R761-E840 IonicContact NE-OE1 2.63Å; R761-E840 PolarHBondContact NE-OE1 3.41Å; R761-F844 HydrophobicContact CB-CE1 4.49Å; R761-F844 HydrophobicContact CB-CZ 3.98Å; R761-F844 VanDerWaalsContact CZ-CE1 3.45Å; R761-E847 IonicContact CZ-OE1 2.78Å; R761-E847 IonicContact NH1-OE1 3.86Å; R761-E847 PolarHBondContact NH1-OE1 3.32Å; R761-E847 IonicContact NH2-OE1 3.33Å; R761-E847 PolarHBondContact NH2-OE1 3.04Å
762	L	95.4	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-51.2	-167.5	-171.4	66.1	0	0	0	112.6	E683 V686 W687 V690 A742 T746 S760 A765 L766	E683-L762 HydrophobicContact CG-CD2 4.31Å; V686-L762 HydrophobicContact CB-CD2 4.27Å; V686-L762 HydrophobicContact CG1-CD1 4.23Å; V686-L762 HydrophobicContact CG1-CD2 3.87Å; W687-L762 HydrophobicContact CB-CB 4.41Å; W687-L762 HydrophobicContact CB-CD1 4.47Å; W687-L762 HydrophobicContact CE3-CB 4.27Å; W687-L762 HydrophobicContact CE3-CD1 3.83Å; V690-L762 HydrophobicContact CG2-CD1 4.38Å; A742-L762 HydrophobicContact CB-CD1 3.68Å; A742-L762 HydrophobicContact CB-CD2 3.89Å; A742-L762 HydrophobicContact CB-CG 3.98Å; T746-L762 HydrophobicContact CG2-CD2 4.28Å; T746-L762 HydrophobicContact CG2-CG 4.22Å; S760-L762 PolarHBondContact O-N 3.29Å; S760-L762 WeakPolarHBondContact OG-CB 3.44Å; S760-L762 PolarHBondContact OG-N 2.89Å; L762-A765 PolarHBondContact O-N 2.91Å; L762-L766 WeakPolarHBondContact O-CG 3.42Å; L762-L766 PolarHBondContact O-N 3.49Å
763	A	94.6	Very high	94.1	Very high	46 Å²	46	25.6 Å²	25.6	38%	0.38	16%	0.16	S	C	.	.	H	α-helix	trans	-60.3	-49.3	179.5	0	0	0	0	0	111.7	T746 R761 A765 L766 S767	T746-A763 HydrophobicContact CG2-CB 3.81Å; R761-A763 PolarHBondContact O-N 3.41Å; A763-A765 VanDerWaalsContact C-N 3.32Å; A763-A765 PolarHBondContact O-N 3.2Å; A763-L766 PolarHBondContact O-N 3.01Å; A763-S767 WeakPolarHBondContact O-CB 3.28Å; A763-S767 PolarHBondContact O-N 3.42Å; A763-S767 PolarHBondContact O-OG 2.9Å
764	S	94.4	Very high	94.3	Very high	36 Å²	36	24.5 Å²	24.5	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-62	-36.6	177.3	-55.8	0	0	0	0	112.7	R761 S767 S768 E840	R761-S764 PolarHBondContact O-N 3.38Å; S764-S767 WeakPolarHBondContact CA-OG 3.41Å; S764-S767 PolarHBondContact O-OG 3.26Å; S764-S768 VanDerWaalsContact O-CB 3.23Å; S764-S768 WeakPolarHBondContact O-CB 3.47Å; S764-S768 PolarHBondContact O-N 3.48Å; S764-S768 PolarHBondContact O-OG 3.44Å; S764-E840 VanDerWaalsContact CB-OE2 3.28Å; S764-E840 WeakPolarHBondContact CB-OE2 3.33Å; S764-E840 PolarHBondContact OG-OE2 3.38Å
765	A	95.9	Very high	94.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-69.6	-37.8	179.5	0	0	0	0	0	112.3	W687 R761 L762 A763 S768 S770 F844	W687-A765 HydrophobicContact CH2-CB 3.86Å; W687-A765 HydrophobicContact CZ3-CB 3.54Å; R761-A765 VanDerWaalsContact O-CB 3.26Å; R761-A765 WeakPolarHBondContact O-CB 3.39Å; R761-A765 PolarHBondContact O-N 3.23Å; L762-A765 PolarHBondContact O-N 2.91Å; A763-A765 VanDerWaalsContact C-N 3.32Å; A763-A765 PolarHBondContact O-N 3.2Å; A765-S768 PolarHBondContact O-OG 3.36Å; A765-S770 PolarHBondContact O-N 3.44Å; A765-F844 HydrophobicContact CB-CD1 4.35Å; A765-F844 HydrophobicContact CB-CE1 3.66Å; A765-F844 HydrophobicContact CB-CE2 4.27Å; A765-F844 HydrophobicContact CB-CZ 3.62Å
766	L	95.1	Very high	94.6	Very high	46 Å²	46	23.5 Å²	23.5	24%	0.241	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-49.2	172.8	-68.9	176.7	0	0	0	110.9	L739 A742 T746 L762 A763 S768 G769 C771	L739-L766 HydrophobicContact CD2-CD2 4.1Å; A742-L766 HydrophobicContact CB-CD1 3.91Å; T746-L766 HydrophobicContact CG2-CD1 4.05Å; L762-L766 WeakPolarHBondContact O-CG 3.42Å; L762-L766 PolarHBondContact O-N 3.49Å; A763-L766 PolarHBondContact O-N 3.01Å; L766-S768 PolarHBondContact O-N 3.37Å; L766-G769 PolarHBondContact O-N 3.18Å; L766-C771 HydrophobicContact CD2-CB 4.09Å
767	S	94.1	Very high	94.8	Very high	78 Å²	78	23.2 Å²	23.2	55%	0.545	15%	0.148	S	C	.	.	H	α-helix	trans	-71.1	-15.4	-177.5	75.8	0	0	0	0	113.7	A763 S764 R819	A763-S767 WeakPolarHBondContact O-CB 3.28Å; A763-S767 PolarHBondContact O-N 3.42Å; A763-S767 PolarHBondContact O-OG 2.9Å; S764-S767 WeakPolarHBondContact CA-OG 3.41Å; S764-S767 PolarHBondContact O-OG 3.26Å; S767-R819 PolarHBondContact O-NH1 2.94Å
768	S	94.8	Very high	94.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.9	171	58.2	0	0	0	0	112.7	S764 A765 L766 S770 M816	S764-S768 VanDerWaalsContact O-CB 3.23Å; S764-S768 WeakPolarHBondContact O-CB 3.47Å; S764-S768 PolarHBondContact O-N 3.48Å; S764-S768 PolarHBondContact O-OG 3.44Å; A765-S768 PolarHBondContact O-OG 3.36Å; L766-S768 PolarHBondContact O-N 3.37Å; S768-S770 VanDerWaalsContact C-N 3.29Å; S768-S770 WeakPolarHBondContact OG-CB 3.36Å; S768-S770 PolarHBondContact OG-N 3.07Å; S768-M816 WeakPolarHBondContact O-CG 3.46Å
769	G	94.9	Very high	95	Very high	21 Å²	21	26.9 Å²	26.9	22%	0.216	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	0.5	-171	0	0	0	0	0	114	L766 H772 C773	L766-G769 PolarHBondContact O-N 3.18Å; G769-H772 PolarHBondContact O-N 3.13Å; G769-C773 WeakPolarHBondContact O-CB 3.41Å; G769-C773 PolarHBondContact O-N 3.41Å
770	S	96.3	Very high	95.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-51.6	-177.6	-176.5	0	0	0	0	112.5	A765 S768 H772 C773 Q774 M816 T848	A765-S770 PolarHBondContact O-N 3.44Å; S768-S770 VanDerWaalsContact C-N 3.29Å; S768-S770 WeakPolarHBondContact OG-CB 3.36Å; S768-S770 PolarHBondContact OG-N 3.07Å; S770-H772 PolarHBondContact O-N 3Å; S770-C773 PolarHBondContact O-N 2.85Å; S770-Q774 WeakPolarHBondContact O-CG 3.46Å; S770-Q774 PolarHBondContact O-N 3.3Å; S770-Q774 PolarHBondContact OG-NE2 3.28Å; S770-Q774 VanDerWaalsContact OG-NE2 3.09Å; S770-M816 VanDerWaalsContact CA-CE 3.5Å; S770-T848 PolarHBondContact OG-OG1 3.38Å
771	C	96.3	Very high	95.1	Very high	10 Å²	10	24.7 Å²	24.7	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-46.2	-177.2	-64.5	0	0	0	0	112	L739 L766 Q774 A775	L739-C771 HydrophobicContact CD1-CB 4.25Å; L739-C771 HydrophobicContact CD2-CB 3.63Å; L766-C771 HydrophobicContact CD2-CB 4.09Å; C771-Q774 PolarHBondContact O-N 3.24Å; C771-A775 WeakPolarHBondContact O-CB 3.2Å; C771-A775 PolarHBondContact O-N 3.15Å
772	H	94.4	Very high	94.8	Very high	119 Å²	119	25.4 Å²	25.4	55%	0.551	15%	0.154	S	C	*	.	H	α-helix	trans	-67.2	-37.7	-179.6	-174.9	65.3	0	0	0	112.2	G769 S770 S776 Q812	G769-H772 PolarHBondContact O-N 3.13Å; S770-H772 PolarHBondContact O-N 3Å; H772-S776 VanDerWaalsContact O-CB 3.29Å; H772-S776 WeakPolarHBondContact O-CB 3.5Å; H772-S776 PolarHBondContact O-N 2.99Å; H772-S776 PolarHBondContact O-OG 3.45Å; H772-Q812 PolarHBondContact CD2-NE2 3.23Å; H772-Q812 PolarHBondContact NE2-NE2 3.03Å
773	C	96.9	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.8	-169.2	0	0	0	0	112.1	G769 S770 S776 A777 Q812 M816 T848	G769-C773 WeakPolarHBondContact O-CB 3.41Å; G769-C773 PolarHBondContact O-N 3.41Å; S770-C773 PolarHBondContact O-N 2.85Å; C773-S776 PolarHBondContact O-N 2.72Å; C773-A777 WeakPolarHBondContact O-CB 3.2Å; C773-A777 PolarHBondContact O-N 2.9Å; C773-Q812 VanDerWaalsContact CA-OE1 3.31Å; C773-Q812 HydrophobicContact CB-CB 4.24Å; C773-Q812 PolarHBondContact SG-OE1 2.8Å; C773-M816 HydrophobicContact CB-SD 4Å; C773-T848 HydrophobicContact CB-CG2 3.84Å
774	Q	97.3	Very high	94.4	Very high	9 Å²	9	24 Å²	24	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-46	175.4	-68.1	178.8	29.2	0	0	111.9	S770 C771 S776 A777 L778 T848 V851	S770-Q774 WeakPolarHBondContact O-CG 3.46Å; S770-Q774 PolarHBondContact O-N 3.3Å; S770-Q774 PolarHBondContact OG-NE2 3.28Å; S770-Q774 VanDerWaalsContact OG-NE2 3.09Å; C771-Q774 PolarHBondContact O-N 3.24Å; Q774-S776 PolarHBondContact O-N 3.27Å; Q774-A777 PolarHBondContact O-N 2.87Å; Q774-L778 WeakPolarHBondContact O-CB 3.25Å; Q774-L778 VanDerWaalsContact O-CG 3.31Å; Q774-L778 WeakPolarHBondContact O-CG 3.24Å; Q774-L778 PolarHBondContact O-N 3.4Å; Q774-T848 HydrophobicContact CG-CG2 3.88Å; Q774-T848 PolarHBondContact NE2-OG1 3.11Å; Q774-V851 HydrophobicContact CB-CG1 4.37Å; Q774-V851 HydrophobicContact CG-CB 4.24Å; Q774-V851 HydrophobicContact CG-CG1 4.34Å; Q774-V851 HydrophobicContact CG-CG2 4.18Å
775	A	96	Very high	93.9	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-46.9	176.7	0	0	0	0	0	111.5	L735 L739 C771 A777 L778 Q779	L735-A775 HydrophobicContact CD2-CB 4.08Å; L739-A775 HydrophobicContact CD1-CB 4.26Å; C771-A775 WeakPolarHBondContact O-CB 3.2Å; C771-A775 PolarHBondContact O-N 3.15Å; A775-A777 VanDerWaalsContact C-N 3.33Å; A775-A777 PolarHBondContact O-N 3.27Å; A775-L778 PolarHBondContact O-N 2.78Å; A775-Q779 WeakPolarHBondContact O-CB 3.29Å; A775-Q779 PolarHBondContact O-N 3.28Å
776	S	95.4	Very high	93.5	Very high	39 Å²	39	28.5 Å²	28.5	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-60.4	-41	176.8	-61.4	0	0	0	0	112.4	H772 C773 Q774 L780	H772-S776 VanDerWaalsContact O-CB 3.29Å; H772-S776 WeakPolarHBondContact O-CB 3.5Å; H772-S776 PolarHBondContact O-N 2.99Å; H772-S776 PolarHBondContact O-OG 3.45Å; C773-S776 PolarHBondContact O-N 2.72Å; Q774-S776 PolarHBondContact O-N 3.27Å; S776-L780 PolarHBondContact O-N 2.98Å
777	A	95.9	Very high	93.2	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-67.3	-41.9	176.6	0	0	0	0	0	111.7	C773 Q774 A775 L780 V852 V855	C773-A777 WeakPolarHBondContact O-CB 3.2Å; C773-A777 PolarHBondContact O-N 2.9Å; Q774-A777 PolarHBondContact O-N 2.87Å; A775-A777 VanDerWaalsContact C-N 3.33Å; A775-A777 PolarHBondContact O-N 3.27Å; A777-L780 VanDerWaalsContact O-CB 3.31Å; A777-L780 WeakPolarHBondContact O-CB 3.5Å; A777-L780 PolarHBondContact O-N 3.38Å; A777-V852 HydrophobicContact CB-CG2 3.88Å; A777-V855 HydrophobicContact CB-CG2 4.28Å; A777-V855 VanDerWaalsContact O-CG1 3.26Å; A777-V855 WeakPolarHBondContact O-CG1 3.34Å; A777-V855 WeakPolarHBondContact O-CG2 3.36Å
778	L	95.3	Very high	92.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-36.2	177.8	-69.1	164.8	0	0	0	111.4	L697 L698 L732 Q774 A775 L780 S781 V851 V855	L697-L778 HydrophobicContact CB-CD1 3.93Å; L697-L778 HydrophobicContact CB-CD2 4.32Å; L697-L778 HydrophobicContact CD1-CD1 3.9Å; L698-L778 HydrophobicContact CD2-CD2 4.27Å; L732-L778 HydrophobicContact CD2-CB 3.89Å; Q774-L778 WeakPolarHBondContact O-CB 3.25Å; Q774-L778 VanDerWaalsContact O-CG 3.31Å; Q774-L778 WeakPolarHBondContact O-CG 3.24Å; Q774-L778 PolarHBondContact O-N 3.4Å; A775-L778 PolarHBondContact O-N 2.78Å; L778-L780 VanDerWaalsContact C-N 3.25Å; L778-L780 PolarHBondContact O-N 3.29Å; L778-S781 WeakPolarHBondContact O-CB 3.47Å; L778-S781 PolarHBondContact O-N 2.93Å; L778-S781 VanDerWaalsContact O-N 3.07Å; L778-S781 PolarHBondContact O-OG 2.97Å; L778-V851 HydrophobicContact CD1-CG1 4.38Å; L778-V851 HydrophobicContact CD2-CG1 4.22Å; L778-V851 HydrophobicContact CG-CG1 4.09Å; L778-V855 HydrophobicContact CD2-CG2 4.29Å
779	Q	94.3	Very high	92.4	Very high	82 Å²	82	31.5 Å²	31.5	38%	0.383	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-36.6	174.4	-170.2	68.5	12.1	0	0	112.3	A775 S781 L782 T783	A775-Q779 WeakPolarHBondContact O-CB 3.29Å; A775-Q779 PolarHBondContact O-N 3.28Å; Q779-S781 PolarHBondContact O-N 2.81Å; Q779-S781 VanDerWaalsContact O-N 3.17Å; Q779-L782 WeakPolarHBondContact O-CB 3.25Å; Q779-L782 PolarHBondContact O-N 2.98Å; Q779-T783 PolarHBondContact O-N 3.47Å
780	L	93.8	Very high	91.9	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-29.6	176.8	177.2	58.9	0	0	0	112.7	S776 A777 L778 L782 T783 L784 I802 A805 F806 V855 W894	S776-L780 PolarHBondContact O-N 2.98Å; A777-L780 VanDerWaalsContact O-CB 3.31Å; A777-L780 WeakPolarHBondContact O-CB 3.5Å; A777-L780 PolarHBondContact O-N 3.38Å; L778-L780 VanDerWaalsContact C-N 3.25Å; L778-L780 PolarHBondContact O-N 3.29Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 PolarHBondContact O-N 3.5Å; L780-T783 PolarHBondContact O-N 2.92Å; L780-L784 HydrophobicContact CD1-CD1 4.19Å; L780-L784 HydrophobicContact CD1-CG 4.18Å; L780-L784 HydrophobicContact CG-CD1 3.83Å; L780-L784 HydrophobicContact CG-CG 4.34Å; L780-L784 WeakPolarHBondContact O-CB 3.46Å; L780-L784 WeakPolarHBondContact O-CD1 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.44Å; L780-I802 HydrophobicContact CD1-CB 4.5Å; L780-I802 HydrophobicContact CD1-CG1 4.33Å; L780-I802 HydrophobicContact CD1-CG2 4.13Å; L780-A805 HydrophobicContact CD1-CB 3.83Å; L780-F806 HydrophobicContact CD1-CE1 4.32Å; L780-F806 HydrophobicContact CD2-CD1 3.76Å; L780-F806 HydrophobicContact CD2-CE1 3.75Å; L780-F806 HydrophobicContact CG-CE1 4.48Å; L780-V855 HydrophobicContact CB-CG1 4.36Å; L780-V855 HydrophobicContact CD2-CG1 4.05Å; L780-V855 HydrophobicContact CG-CG1 4.35Å; L780-W894 HydrophobicContact CD2-CH2 4.14Å; L780-W894 HydrophobicContact CD2-CZ2 4.43Å
781	S	91.3	Very high	91.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-32.7	176.5	72.1	0	0	0	0	112.9	L728 L778 Q779 R785	L728-S781 WeakPolarHBondContact CD2-OG 3.36Å; L778-S781 WeakPolarHBondContact O-CB 3.47Å; L778-S781 PolarHBondContact O-N 2.93Å; L778-S781 VanDerWaalsContact O-N 3.07Å; L778-S781 PolarHBondContact O-OG 2.97Å; Q779-S781 PolarHBondContact O-N 2.81Å; Q779-S781 VanDerWaalsContact O-N 3.17Å; S781-R785 WeakPolarHBondContact O-CB 3.48Å; S781-R785 PolarHBondContact O-N 3.28Å
782	L	89.6	Confident	90.7	Very high	28 Å²	28	35 Å²	35	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-67.6	-48.1	173.3	-72.2	174.8	0	0	0	111.3	L728 Q729 L732 Q779 L780 L784 R785 E786	L728-L782 HydrophobicContact CB-CD2 4.18Å; L728-L782 HydrophobicContact CD2-CD2 3.5Å; L728-L782 HydrophobicContact CD2-CG 3.88Å; L728-L782 HydrophobicContact CG-CD2 3.76Å; L728-L782 HydrophobicContact CG-CG 4.13Å; Q729-L782 HydrophobicContact CB-CD1 4.39Å; Q729-L782 HydrophobicContact CB-CD2 4.47Å; L732-L782 HydrophobicContact CD1-CD1 3.41Å; L732-L782 VanDerWaalsContact CD1-CD1 3.41Å; L732-L782 HydrophobicContact CD1-CG 3.87Å; Q779-L782 WeakPolarHBondContact O-CB 3.25Å; Q779-L782 PolarHBondContact O-N 2.98Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 PolarHBondContact O-N 3.5Å; L782-L784 VanDerWaalsContact C-N 3.31Å; L782-L784 PolarHBondContact O-N 2.82Å; L782-R785 WeakPolarHBondContact O-CB 3.49Å; L782-R785 PolarHBondContact O-N 3.39Å; L782-R785 VanDerWaalsContact O-N 3.13Å; L782-E786 PolarHBondContact O-N 3.45Å
783	T	89.9	Confident	90	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-37.6	-179.7	-45.2	0	0	0	0	111.7	Q779 L780 R785 E786 L787 L798 Q801 I802	Q779-T783 PolarHBondContact O-N 3.47Å; L780-T783 PolarHBondContact O-N 2.92Å; T783-R785 VanDerWaalsContact C-N 3.32Å; T783-R785 PolarHBondContact O-N 3.42Å; T783-E786 PolarHBondContact O-N 3.49Å; T783-L787 PolarHBondContact O-N 3.33Å; T783-L787 VanDerWaalsContact O-N 3.09Å; T783-L798 HydrophobicContact CG2-CD1 3.41Å; T783-L798 VanDerWaalsContact CG2-CD1 3.41Å; T783-L798 HydrophobicContact CG2-CG 4.25Å; T783-Q801 HydrophobicContact CG2-CG 4.36Å; T783-I802 HydrophobicContact CG2-CD1 4.14Å; T783-I802 HydrophobicContact CG2-CG1 3.59Å
784	L	89.8	Confident	89	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-34.6	174.7	-79.5	163.2	0	0	0	112.9	L780 L782 L787 E788 I802 Y858 S859	L780-L784 HydrophobicContact CD1-CD1 4.19Å; L780-L784 HydrophobicContact CD1-CG 4.18Å; L780-L784 HydrophobicContact CG-CD1 3.83Å; L780-L784 HydrophobicContact CG-CG 4.34Å; L780-L784 WeakPolarHBondContact O-CB 3.46Å; L780-L784 WeakPolarHBondContact O-CD1 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.47Å; L780-L784 PolarHBondContact O-N 3.44Å; L782-L784 VanDerWaalsContact C-N 3.31Å; L782-L784 PolarHBondContact O-N 2.82Å; L784-L787 WeakPolarHBondContact O-CB 3.31Å; L784-L787 PolarHBondContact O-N 2.98Å; L784-E788 PolarHBondContact O-N 2.93Å; L784-I802 HydrophobicContact CD2-CD1 4.12Å; L784-I802 HydrophobicContact CD2-CG2 4.1Å; L784-Y858 HydrophobicContact CB-CE1 4.3Å; L784-Y858 HydrophobicContact CD1-CD1 4.5Å; L784-S859 WeakPolarHBondContact CD1-OG 3.47Å
785	R	85.5	Confident	88.4	Confident	26 Å²	26	40.4 Å²	40.4	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-39.9	176.5	-170.5	174	-178.7	-176.7	-5.2	111.9	I721 S725 S781 L782 T783 L787 E788 T789	I721-R785 VanDerWaalsContact CG2-NH2 3.28Å; I721-R785 PolarHBondContact O-NH2 3.46Å; S725-R785 VanDerWaalsContact CB-NH1 3.31Å; S781-R785 WeakPolarHBondContact O-CB 3.48Å; S781-R785 PolarHBondContact O-N 3.28Å; L782-R785 WeakPolarHBondContact O-CB 3.49Å; L782-R785 PolarHBondContact O-N 3.39Å; L782-R785 VanDerWaalsContact O-N 3.13Å; T783-R785 VanDerWaalsContact C-N 3.32Å; T783-R785 PolarHBondContact O-N 3.42Å; R785-L787 PolarHBondContact O-N 3.41Å; R785-E788 WeakPolarHBondContact O-CB 3.38Å; R785-E788 PolarHBondContact O-N 3.05Å; R785-E788 VanDerWaalsContact O-N 3.09Å; R785-T789 PolarHBondContact O-N 3.34Å; R785-T789 PolarHBondContact O-OG1 3.38Å
786	E	87.4	Confident	87.9	Confident	105 Å²	105	45.2 Å²	45.2	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-58.4	-37.8	171.3	-171.1	-179.6	178.3	0	0	110.9	L782 T783 T789 T790 L798	L782-E786 PolarHBondContact O-N 3.45Å; T783-E786 PolarHBondContact O-N 3.49Å; E786-T789 WeakPolarHBondContact CA-OG1 3.22Å; E786-T789 PolarHBondContact O-N 3.21Å; E786-T789 PolarHBondContact O-OG1 3.36Å; E786-T790 WeakPolarHBondContact O-CB 3.5Å; E786-T790 PolarHBondContact O-N 3.49Å; E786-T790 PolarHBondContact O-OG1 3.42Å; E786-L798 HydrophobicContact CB-CD1 4.47Å; E786-L798 HydrophobicContact CB-CD2 3.97Å; E786-L798 HydrophobicContact CG-CD1 4.37Å; E786-L798 HydrophobicContact CG-CD2 3.8Å
787	L	88.5	Confident	87.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-38.9	174.8	179.8	70	0	0	0	112	T783 L784 R785 T789 G791 L792 S795 L798 Q799 I802 L863 V887	T783-L787 PolarHBondContact O-N 3.33Å; T783-L787 VanDerWaalsContact O-N 3.09Å; L784-L787 WeakPolarHBondContact O-CB 3.31Å; L784-L787 PolarHBondContact O-N 2.98Å; R785-L787 PolarHBondContact O-N 3.41Å; L787-T789 VanDerWaalsContact C-N 3.32Å; L787-T789 PolarHBondContact O-N 3.38Å; L787-G791 WeakPolarHBondContact O-CA 3.41Å; L787-G791 PolarHBondContact O-N 3.32Å; L787-L792 HydrophobicContact CD1-CD2 4.46Å; L787-S795 WeakPolarHBondContact CD1-OG 3.45Å; L787-L798 VanDerWaalsContact CA-CD2 3.49Å; L787-L798 HydrophobicContact CB-CD2 3.79Å; L787-L798 HydrophobicContact CB-CG 4.43Å; L787-L798 HydrophobicContact CD1-CD2 4.23Å; L787-Q799 HydrophobicContact CD1-CG 3.81Å; L787-I802 HydrophobicContact CB-CD1 3.8Å; L787-I802 HydrophobicContact CD2-CD1 3.62Å; L787-I802 HydrophobicContact CG-CD1 4.2Å; L787-L863 HydrophobicContact CD2-CD2 3.98Å; L787-V887 HydrophobicContact CD2-CG1 4.24Å; L787-V887 HydrophobicContact CD2-CG2 4.06Å
788	E	85.8	Confident	87.2	Confident	78 Å²	78	51.8 Å²	51.8	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-41.9	175.2	-169.3	176.7	-158.5	0	0	111.7	L784 R785 V862	L784-E788 PolarHBondContact O-N 2.93Å; R785-E788 WeakPolarHBondContact O-CB 3.38Å; R785-E788 PolarHBondContact O-N 3.05Å; R785-E788 VanDerWaalsContact O-N 3.09Å; E788-V862 HydrophobicContact CB-CG1 3.87Å; E788-V862 HydrophobicContact CG-CG1 4.24Å
789	T	85.4	Confident	87	Confident	111 Å²	111	52.1 Å²	52.1	68%	0.681	28%	0.279	S	S	*	.	H	α-helix	trans	-72.1	-41.8	179.4	48.7	0	0	0	0	113.1	R785 E786 L787	R785-T789 PolarHBondContact O-N 3.34Å; R785-T789 PolarHBondContact O-OG1 3.38Å; E786-T789 WeakPolarHBondContact CA-OG1 3.22Å; E786-T789 PolarHBondContact O-N 3.21Å; E786-T789 PolarHBondContact O-OG1 3.36Å; L787-T789 VanDerWaalsContact C-N 3.32Å; L787-T789 PolarHBondContact O-N 3.38Å
790	T	85.8	Confident	86.9	Confident	66 Å²	66	51.6 Å²	51.6	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-79.1	-28.9	-177.2	-55.7	0	0	0	0	111.8	E786	E786-T790 WeakPolarHBondContact O-CB 3.5Å; E786-T790 PolarHBondContact O-N 3.49Å; E786-T790 PolarHBondContact O-OG1 3.42Å
791	G	82.9	Confident	86.8	Confident	19 Å²	19	56.3 Å²	56.3	20%	0.196	30%	0.303	C	S	.	.			trans	77	171.1	-175.9	0	0	0	0	0	113.3	L787 S795	L787-G791 WeakPolarHBondContact O-CA 3.41Å; L787-G791 PolarHBondContact O-N 3.32Å; G791-S795 WeakPolarHBondContact O-CB 3.35Å; G791-S795 PolarHBondContact O-OG 3.49Å
792	L	84	Confident	87	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.105	30%	0.303	C	S	.	.	S	Bend	trans	-77.5	-19.2	-170.9	-69.8	172.9	0	0	0	115.4	L787 Q799 L866 L870 P885 V887	L787-L792 HydrophobicContact CD1-CD2 4.46Å; L792-Q799 PolarHBondContact O-NE2 3.32Å; L792-L866 HydrophobicContact CD1-CB 3.83Å; L792-L866 HydrophobicContact CD2-CD1 4.45Å; L792-L866 HydrophobicContact CG-CB 4.17Å; L792-L866 HydrophobicContact CG-CD1 4.42Å; L792-L870 HydrophobicContact CD1-CB 4.44Å; L792-L870 HydrophobicContact CD1-CD1 4.23Å; L792-P885 HydrophobicContact CD1-CG 4.1Å; L792-P885 HydrophobicContact CD2-CB 4.3Å; L792-V887 HydrophobicContact CD2-CG1 3.77Å
793	D	78.6	Confident	87.2	Confident	95 Å²	95	55.5 Å²	55.5	51%	0.508	30%	0.299	S	S	.	.	S	Bend	trans	-81.3	-32.7	-169.4	-63.7	-38	0	0	0	111.7	K873	D793-K873 IonicContact OD2-NZ 2.62Å; D793-K873 PolarHBondContact OD2-NZ 3.37Å
794	D	77	Confident	87.4	Confident	143 Å²	143	59.1 Å²	59.1	77%	0.765	32%	0.318	S	S	*	.	S	Bend	trans	-116.4	23.3	-173.2	-60.1	-48.8	0	0	0	113.9
795	S	84.6	Confident	87.6	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.035	33%	0.331	C	S	.	.			trans	-128.4	31.4	-168.6	59.3	0	0	0	0	114.8	L787 G791 E797 L798 Q799	L787-S795 WeakPolarHBondContact CD1-OG 3.45Å; G791-S795 WeakPolarHBondContact O-CB 3.35Å; G791-S795 PolarHBondContact O-OG 3.49Å; S795-E797 VanDerWaalsContact C-N 3.34Å; S795-E797 PolarHBondContact O-N 3.3Å; S795-L798 PolarHBondContact O-N 3.26Å; S795-Q799 WeakPolarHBondContact O-CB 3.45Å; S795-Q799 VanDerWaalsContact O-CG 3.26Å; S795-Q799 WeakPolarHBondContact O-CG 3.4Å; S795-Q799 PolarHBondContact O-N 3.14Å; S795-Q799 PolarHBondContact OG-NE2 2.91Å
796	T	85.4	Confident	88.1	Confident	106 Å²	106	59.6 Å²	59.6	65%	0.65	33%	0.327	S	S	*	.	H	α-helix	trans	-58.4	-40	-175	45.8	0	0	0	0	113.9	T800	T796-T800 PolarHBondContact O-N 3.37Å; T796-T800 VanDerWaalsContact O-N 3.13Å; T796-T800 PolarHBondContact O-OG1 3.37Å
797	E	87.7	Confident	88.5	Confident	165 Å²	165	60.9 Å²	60.9	77%	0.771	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-47.9	176.1	-173.1	172.1	-172	0	0	111.4	S795 Q799 T800 Q801	S795-E797 VanDerWaalsContact C-N 3.34Å; S795-E797 PolarHBondContact O-N 3.3Å; E797-Q799 PolarHBondContact O-N 3.42Å; E797-T800 WeakPolarHBondContact O-CA 3.41Å; E797-T800 WeakPolarHBondContact O-CB 3.41Å; E797-T800 PolarHBondContact O-N 3.27Å; E797-Q801 PolarHBondContact O-N 2.99Å
798	L	89.5	Confident	88.8	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-40.2	177.8	-169.3	67.4	0	0	0	112.4	T783 E786 L787 S795 T800 Q801 I802	T783-L798 HydrophobicContact CG2-CD1 3.41Å; T783-L798 VanDerWaalsContact CG2-CD1 3.41Å; T783-L798 HydrophobicContact CG2-CG 4.25Å; E786-L798 HydrophobicContact CB-CD1 4.47Å; E786-L798 HydrophobicContact CB-CD2 3.97Å; E786-L798 HydrophobicContact CG-CD1 4.37Å; E786-L798 HydrophobicContact CG-CD2 3.8Å; L787-L798 VanDerWaalsContact CA-CD2 3.49Å; L787-L798 HydrophobicContact CB-CD2 3.79Å; L787-L798 HydrophobicContact CB-CG 4.43Å; L787-L798 HydrophobicContact CD1-CD2 4.23Å; S795-L798 PolarHBondContact O-N 3.26Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.38Å; L798-Q801 WeakPolarHBondContact O-CB 3.37Å; L798-Q801 PolarHBondContact O-N 3.04Å; L798-I802 HydrophobicContact CG-CD1 4.27Å; L798-I802 VanDerWaalsContact O-CG1 3.28Å; L798-I802 WeakPolarHBondContact O-CG1 3.25Å; L798-I802 PolarHBondContact O-N 2.97Å
799	Q	91.3	Very high	89.3	Confident	9 Å²	9	60 Å²	60	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-38.2	173.1	-72.7	176.6	49.2	0	0	111.8	L787 L792 S795 E797 C803 V887	L787-Q799 HydrophobicContact CD1-CG 3.81Å; L792-Q799 PolarHBondContact O-NE2 3.32Å; S795-Q799 WeakPolarHBondContact O-CB 3.45Å; S795-Q799 VanDerWaalsContact O-CG 3.26Å; S795-Q799 WeakPolarHBondContact O-CG 3.4Å; S795-Q799 PolarHBondContact O-N 3.14Å; S795-Q799 PolarHBondContact OG-NE2 2.91Å; E797-Q799 PolarHBondContact O-N 3.42Å; Q799-C803 PolarHBondContact O-N 3.14Å; Q799-C803 PolarHBondContact O-SG 2.86Å; Q799-C803 VanDerWaalsContact O-SG 3.4Å; Q799-V887 HydrophobicContact CB-CB 4.06Å; Q799-V887 HydrophobicContact CG-CB 3.92Å; Q799-V887 HydrophobicContact CG-CG1 3.88Å
800	T	90.6	Very high	89.8	Confident	71 Å²	71	55.3 Å²	55.3	44%	0.436	30%	0.304	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.9	-55.6	0	0	0	0	110.9	T796 E797 L798 I802 C803 N804	T796-T800 PolarHBondContact O-N 3.37Å; T796-T800 VanDerWaalsContact O-N 3.13Å; T796-T800 PolarHBondContact O-OG1 3.37Å; E797-T800 WeakPolarHBondContact O-CA 3.41Å; E797-T800 WeakPolarHBondContact O-CB 3.41Å; E797-T800 PolarHBondContact O-N 3.27Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.38Å; T800-I802 PolarHBondContact O-N 3.47Å; T800-C803 PolarHBondContact O-N 3.43Å; T800-N804 VanDerWaalsContact O-CG 3.28Å; T800-N804 PolarHBondContact O-N 3.05Å; T800-N804 PolarHBondContact O-ND2 3.27Å
801	Q	92.9	Very high	90.4	Very high	105 Å²	105	54.7 Å²	54.7	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-45.3	174.5	-174	-178.4	4.6	0	0	111.8	T783 E797 L798 N804 A805	T783-Q801 HydrophobicContact CG2-CG 4.36Å; E797-Q801 PolarHBondContact O-N 2.99Å; L798-Q801 WeakPolarHBondContact O-CB 3.37Å; L798-Q801 PolarHBondContact O-N 3.04Å; Q801-N804 PolarHBondContact O-N 3.45Å; Q801-A805 PolarHBondContact O-N 2.66Å
802	I	94.6	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-44.9	176.6	-70.4	164.6	0	0	0	111.2	L780 T783 L784 L787 L798 T800 N804 A805 F806 V887	L780-I802 HydrophobicContact CD1-CB 4.5Å; L780-I802 HydrophobicContact CD1-CG1 4.33Å; L780-I802 HydrophobicContact CD1-CG2 4.13Å; T783-I802 HydrophobicContact CG2-CD1 4.14Å; T783-I802 HydrophobicContact CG2-CG1 3.59Å; L784-I802 HydrophobicContact CD2-CD1 4.12Å; L784-I802 HydrophobicContact CD2-CG2 4.1Å; L787-I802 HydrophobicContact CB-CD1 3.8Å; L787-I802 HydrophobicContact CD2-CD1 3.62Å; L787-I802 HydrophobicContact CG-CD1 4.2Å; L798-I802 HydrophobicContact CG-CD1 4.27Å; L798-I802 VanDerWaalsContact O-CG1 3.28Å; L798-I802 WeakPolarHBondContact O-CG1 3.25Å; L798-I802 PolarHBondContact O-N 2.97Å; T800-I802 PolarHBondContact O-N 3.47Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.15Å; I802-A805 WeakPolarHBondContact O-CB 3.5Å; I802-A805 PolarHBondContact O-N 3.13Å; I802-F806 HydrophobicContact CG2-CD1 4.5Å; I802-F806 HydrophobicContact CG2-CD2 4.18Å; I802-F806 HydrophobicContact CG2-CE1 3.91Å; I802-F806 HydrophobicContact CG2-CE2 3.53Å; I802-F806 HydrophobicContact CG2-CZ 3.37Å; I802-F806 WeakPolarHBondContact O-CG 3.49Å; I802-F806 PolarHBondContact O-N 3.05Å; I802-V887 HydrophobicContact CB-CG2 4.24Å; I802-V887 HydrophobicContact CG2-CG2 3.62Å
803	C	94.1	Very high	91.7	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-36.9	176	-75.8	0	0	0	0	113.1	Q799 T800 F806 K807	Q799-C803 PolarHBondContact O-N 3.14Å; Q799-C803 PolarHBondContact O-SG 2.86Å; Q799-C803 VanDerWaalsContact O-SG 3.4Å; T800-C803 PolarHBondContact O-N 3.43Å; C803-F806 PolarHBondContact O-N 2.97Å; C803-K807 WeakPolarHBondContact O-CG 3.2Å; C803-K807 PolarHBondContact O-N 2.86Å; C803-K807 VanDerWaalsContact O-N 3.12Å
804	N	93.9	Very high	92.6	Very high	92 Å²	92	54 Å²	54	49%	0.492	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-40.3	174.7	-70	-18.7	0	0	0	111.1	T800 Q801 I802 K807 S808	T800-N804 VanDerWaalsContact O-CG 3.28Å; T800-N804 PolarHBondContact O-N 3.05Å; T800-N804 PolarHBondContact O-ND2 3.27Å; Q801-N804 PolarHBondContact O-N 3.45Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.15Å; N804-K807 PolarHBondContact O-N 2.65Å; N804-S808 WeakPolarHBondContact O-CB 3.42Å; N804-S808 PolarHBondContact O-N 3.12Å
805	A	95.1	Very high	93.5	Very high	33 Å²	33	51.8 Å²	51.8	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-41.6	174.5	0	0	0	0	0	112.2	L780 Q801 I802 K807 S808 S809	L780-A805 HydrophobicContact CD1-CB 3.83Å; Q801-A805 PolarHBondContact O-N 2.66Å; I802-A805 WeakPolarHBondContact O-CB 3.5Å; I802-A805 PolarHBondContact O-N 3.13Å; A805-K807 PolarHBondContact O-N 3.24Å; A805-S808 PolarHBondContact O-N 3.36Å; A805-S809 WeakPolarHBondContact O-CB 3.38Å; A805-S809 PolarHBondContact O-N 3.41Å
806	F	96.1	Very high	94.1	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-47.7	172.9	-68.9	-25.2	0	0	0	112.2	L780 I802 C803 S809 V810 V887 F891 W894	L780-F806 HydrophobicContact CD1-CE1 4.32Å; L780-F806 HydrophobicContact CD2-CD1 3.76Å; L780-F806 HydrophobicContact CD2-CE1 3.75Å; L780-F806 HydrophobicContact CG-CE1 4.48Å; I802-F806 HydrophobicContact CG2-CD1 4.5Å; I802-F806 HydrophobicContact CG2-CD2 4.18Å; I802-F806 HydrophobicContact CG2-CE1 3.91Å; I802-F806 HydrophobicContact CG2-CE2 3.53Å; I802-F806 HydrophobicContact CG2-CZ 3.37Å; I802-F806 WeakPolarHBondContact O-CG 3.49Å; I802-F806 PolarHBondContact O-N 3.05Å; C803-F806 PolarHBondContact O-N 2.97Å; F806-S809 PolarHBondContact O-N 2.73Å; F806-V810 PolarHBondContact O-N 2.99Å; F806-V887 HydrophobicContact CE2-CG2 4.27Å; F806-F891 HydrophobicContact CE1-CD2 4.31Å; F806-F891 HydrophobicContact CE2-CB 3.83Å; F806-F891 HydrophobicContact CE2-CD2 4.29Å; F806-F891 HydrophobicContact CZ-CB 4.18Å; F806-F891 AromaticContact CZ-CD2 3.83Å; F806-F891 HydrophobicContact CZ-CD2 3.83Å; F806-W894 HydrophobicContact CB-CB 3.82Å; F806-W894 HydrophobicContact CB-CD2 4.08Å; F806-W894 HydrophobicContact CB-CG 3.63Å; F806-W894 HydrophobicContact CD1-CB 4.47Å; F806-W894 AromaticContact CD1-CD2 3.44Å; F806-W894 HydrophobicContact CD1-CD2 3.44Å; F806-W894 VanDerWaalsContact CD1-CD2 3.44Å; F806-W894 AromaticContact CD1-CE2 3.85Å; F806-W894 AromaticContact CD1-CE3 3.36Å; F806-W894 HydrophobicContact CD1-CE3 3.36Å; F806-W894 AromaticContact CD1-CG 3.94Å; F806-W894 HydrophobicContact CD1-CG 3.94Å; F806-W894 HydrophobicContact CD1-CH2 4.1Å; F806-W894 HydrophobicContact CD1-CZ2 4.18Å; F806-W894 AromaticContact CD1-CZ3 3.69Å; F806-W894 HydrophobicContact CD1-CZ3 3.69Å; F806-W894 HydrophobicContact CD2-CB 4.24Å; F806-W894 HydrophobicContact CE1-CD2 4.01Å; F806-W894 AromaticContact CE1-CE3 3.4Å; F806-W894 HydrophobicContact CE1-CE3 3.4Å; F806-W894 VanDerWaalsContact CE1-CE3 3.4Å; F806-W894 HydrophobicContact CE1-CH2 4.11Å; F806-W894 AromaticContact CE1-CZ3 3.44Å; F806-W894 HydrophobicContact CE1-CZ3 3.44Å; F806-W894 VanDerWaalsContact CE1-CZ3 3.44Å; F806-W894 HydrophobicContact CG-CB 3.96Å; F806-W894 AromaticContact CG-CD2 3.84Å; F806-W894 HydrophobicContact CG-CD2 3.84Å; F806-W894 HydrophobicContact CG-CE3 4.02Å; F806-W894 AromaticContact CG-CG 3.81Å; F806-W894 HydrophobicContact CG-CG 3.81Å; F806-W894 HydrophobicContact CZ-CE3 4.09Å; F806-W894 HydrophobicContact CZ-CZ3 4.32Å; F806-W894 PolarHBondContact O-NE1 3.17Å
807	K	94.9	Very high	94.6	Very high	133 Å²	133	47.4 Å²	47.4	58%	0.578	25%	0.251	S	S	*	.	H	α-helix	trans	-63.7	-44.2	177.5	-70.7	175.2	-178.3	178.2	0	111.7	C803 N804 A805 V810 A811	C803-K807 WeakPolarHBondContact O-CG 3.2Å; C803-K807 PolarHBondContact O-N 2.86Å; C803-K807 VanDerWaalsContact O-N 3.12Å; N804-K807 PolarHBondContact O-N 2.65Å; A805-K807 PolarHBondContact O-N 3.24Å; K807-V810 PolarHBondContact O-N 3.22Å; K807-A811 PolarHBondContact O-N 3.04Å
808	S	95.5	Very high	95	Very high	54 Å²	54	42 Å²	42	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-45.7	177.8	-172.4	0	0	0	0	111.8	N804 A805 V810 A811 Q812	N804-S808 WeakPolarHBondContact O-CB 3.42Å; N804-S808 PolarHBondContact O-N 3.12Å; A805-S808 PolarHBondContact O-N 3.36Å; S808-V810 VanDerWaalsContact C-N 3.32Å; S808-V810 PolarHBondContact O-N 3.4Å; S808-A811 PolarHBondContact O-N 3.47Å; S808-A811 VanDerWaalsContact O-N 3.14Å; S808-Q812 WeakPolarHBondContact O-CG 3.47Å; S808-Q812 PolarHBondContact O-N 2.96Å
809	S	95.8	Very high	95.2	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-42.4	178.7	171.7	0	0	0	0	112.3	A805 F806 L813	A805-S809 WeakPolarHBondContact O-CB 3.38Å; A805-S809 PolarHBondContact O-N 3.41Å; F806-S809 PolarHBondContact O-N 2.73Å; S809-L813 WeakPolarHBondContact O-CG 3.46Å; S809-L813 PolarHBondContact O-N 3.47Å
810	V	96.3	Very high	95.3	Very high	12 Å²	12	46 Å²	46	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-43	176	171.6	0	0	0	0	111.4	F806 K807 S808 Q812 L813 Q814 W894 L898 V901	F806-V810 PolarHBondContact O-N 2.99Å; K807-V810 PolarHBondContact O-N 3.22Å; S808-V810 VanDerWaalsContact C-N 3.32Å; S808-V810 PolarHBondContact O-N 3.4Å; V810-Q812 VanDerWaalsContact C-N 3.33Å; V810-Q812 PolarHBondContact O-N 3.44Å; V810-L813 PolarHBondContact O-N 3.43Å; V810-Q814 HydrophobicContact CG1-CG 4.34Å; V810-Q814 WeakPolarHBondContact O-CB 3.36Å; V810-Q814 WeakPolarHBondContact O-CG 3.44Å; V810-Q814 PolarHBondContact O-N 3.3Å; V810-W894 VanDerWaalsContact CG2-CD1 3.42Å; V810-L898 HydrophobicContact CG2-CD2 4.1Å; V810-L898 HydrophobicContact CG2-CG 4.39Å; V810-V901 HydrophobicContact CG1-CG2 4.19Å
811	A	97	Very high	95.2	Very high	53 Å²	53	50.1 Å²	50.1	44%	0.438	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-43.6	178.3	0	0	0	0	0	111.5	K807 S808 Q814 E815	K807-A811 PolarHBondContact O-N 3.04Å; S808-A811 PolarHBondContact O-N 3.47Å; S808-A811 VanDerWaalsContact O-N 3.14Å; A811-Q814 PolarHBondContact O-N 2.91Å; A811-E815 WeakPolarHBondContact O-CB 3.49Å; A811-E815 PolarHBondContact O-N 3.31Å
812	Q	97.2	Very high	95.1	Very high	25 Å²	25	46.4 Å²	46.4	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-45.6	175.2	-70.5	173.4	-4.8	0	0	111.7	H772 C773 S808 V810 Q814 E815 M816	H772-Q812 PolarHBondContact CD2-NE2 3.23Å; H772-Q812 PolarHBondContact NE2-NE2 3.03Å; C773-Q812 VanDerWaalsContact CA-OE1 3.31Å; C773-Q812 HydrophobicContact CB-CB 4.24Å; C773-Q812 PolarHBondContact SG-OE1 2.8Å; S808-Q812 WeakPolarHBondContact O-CG 3.47Å; S808-Q812 PolarHBondContact O-N 2.96Å; V810-Q812 VanDerWaalsContact C-N 3.33Å; V810-Q812 PolarHBondContact O-N 3.44Å; Q812-Q814 VanDerWaalsContact C-N 3.35Å; Q812-Q814 PolarHBondContact O-N 3.23Å; Q812-E815 WeakPolarHBondContact O-CB 3.42Å; Q812-E815 PolarHBondContact O-N 3.12Å; Q812-M816 WeakPolarHBondContact O-CG 3.47Å; Q812-M816 PolarHBondContact O-N 3.26Å
813	L	97.5	Very high	94.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-38.4	176.1	-74.6	175.1	0	0	0	112.6	S809 V810 E815 M816 L817 F845 T848 V849 V852 L898 V901	S809-L813 WeakPolarHBondContact O-CG 3.46Å; S809-L813 PolarHBondContact O-N 3.47Å; V810-L813 PolarHBondContact O-N 3.43Å; L813-E815 VanDerWaalsContact C-N 3.34Å; L813-M816 HydrophobicContact CD2-SD 4.44Å; L813-M816 PolarHBondContact O-N 3.01Å; L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 2.91Å; L813-F845 HydrophobicContact CB-CE2 4.47Å; L813-F845 HydrophobicContact CD2-CD2 4.48Å; L813-F845 HydrophobicContact CD2-CE2 4.26Å; L813-T848 HydrophobicContact CD2-CG2 3.87Å; L813-V849 HydrophobicContact CD2-CG2 4.08Å; L813-V852 HydrophobicContact CD1-CB 4.37Å; L813-V852 HydrophobicContact CD1-CG1 4.07Å; L813-V852 HydrophobicContact CD1-CG2 4.22Å; L813-V852 HydrophobicContact CD2-CG2 4.46Å; L813-L898 HydrophobicContact CD1-CD2 3.58Å; L813-V901 HydrophobicContact CB-CG1 4.11Å
814	Q	97.3	Very high	94.7	Very high	92 Å²	92	50.1 Å²	50.1	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-39.9	174.3	-76.2	176.7	-12	0	0	111.6	V810 A811 Q812 L817 S818 V901	V810-Q814 HydrophobicContact CG1-CG 4.34Å; V810-Q814 WeakPolarHBondContact O-CB 3.36Å; V810-Q814 WeakPolarHBondContact O-CG 3.44Å; V810-Q814 PolarHBondContact O-N 3.3Å; A811-Q814 PolarHBondContact O-N 2.91Å; Q812-Q814 VanDerWaalsContact C-N 3.35Å; Q812-Q814 PolarHBondContact O-N 3.23Å; Q814-L817 PolarHBondContact O-N 3.46Å; Q814-S818 WeakPolarHBondContact O-CB 3.38Å; Q814-S818 PolarHBondContact O-N 3.13Å; Q814-V901 HydrophobicContact CG-CG2 3.59Å
815	E	96.7	Very high	94.6	Very high	96 Å²	96	45.8 Å²	45.8	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-47.2	174.6	-172.6	179.8	177.9	0	0	111.1	A811 Q812 L813 L817 S818 R819	A811-E815 WeakPolarHBondContact O-CB 3.49Å; A811-E815 PolarHBondContact O-N 3.31Å; Q812-E815 WeakPolarHBondContact O-CB 3.42Å; Q812-E815 PolarHBondContact O-N 3.12Å; L813-E815 VanDerWaalsContact C-N 3.34Å; E815-L817 PolarHBondContact O-N 3.2Å; E815-S818 WeakPolarHBondContact O-CB 3.41Å; E815-S818 PolarHBondContact O-N 3.38Å; E815-S818 VanDerWaalsContact O-N 3.1Å; E815-S818 PolarHBondContact O-OG 2.87Å; E815-R819 WeakPolarHBondContact O-CG 3.23Å; E815-R819 PolarHBondContact O-N 3.35Å; E815-R819 IonicContact OE1-CZ 3.56Å; E815-R819 IonicContact OE1-NE 3.72Å; E815-R819 IonicContact OE1-NH2 2.66Å; E815-R819 PolarHBondContact OE1-NH2 3.4Å
816	M	97	Very high	94.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-47.4	174.4	-70	-175.4	70.6	0	0	111.9	S768 S770 C773 Q812 L813 S818 R819 C820 F844 F845 T848	S768-M816 WeakPolarHBondContact O-CG 3.46Å; S770-M816 VanDerWaalsContact CA-CE 3.5Å; C773-M816 HydrophobicContact CB-SD 4Å; Q812-M816 WeakPolarHBondContact O-CG 3.47Å; Q812-M816 PolarHBondContact O-N 3.26Å; L813-M816 HydrophobicContact CD2-SD 4.44Å; L813-M816 PolarHBondContact O-N 3.01Å; M816-S818 VanDerWaalsContact C-N 3.26Å; M816-S818 PolarHBondContact O-N 3.43Å; M816-R819 WeakPolarHBondContact O-CB 3.4Å; M816-R819 PolarHBondContact O-N 3.03Å; M816-R819 VanDerWaalsContact O-N 3.12Å; M816-C820 PolarHBondContact O-N 2.91Å; M816-C820 PolarHBondContact O-SG 3.28Å; M816-C820 VanDerWaalsContact O-SG 3.33Å; M816-F844 HydrophobicContact CE-CB 4.45Å; M816-F845 HydrophobicContact CB-CD2 3.98Å; M816-F845 HydrophobicContact CE-CB 4.36Å; M816-T848 HydrophobicContact CE-CG2 4.4Å; M816-T848 HydrophobicContact SD-CG2 3.95Å
817	L	96.2	Very high	93.6	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-35	177.2	-176.7	59.6	0	0	0	111.5	L813 Q814 E815 R819 C820 F845 V901 Q904 A905	L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 2.91Å; Q814-L817 PolarHBondContact O-N 3.46Å; E815-L817 PolarHBondContact O-N 3.2Å; L817-R819 VanDerWaalsContact C-N 3.29Å; L817-R819 PolarHBondContact O-N 3.42Å; L817-C820 WeakPolarHBondContact O-CB 3.41Å; L817-C820 PolarHBondContact O-N 3.29Å; L817-C820 VanDerWaalsContact O-N 3.12Å; L817-F845 HydrophobicContact CB-CD2 4.25Å; L817-F845 HydrophobicContact CB-CE2 3.85Å; L817-F845 HydrophobicContact CB-CZ 4.35Å; L817-F845 HydrophobicContact CD1-CE1 4.46Å; L817-F845 HydrophobicContact CD1-CZ 4.32Å; L817-V901 HydrophobicContact CD2-CG1 4.31Å; L817-Q904 HydrophobicContact CD2-CB 3.79Å; L817-A905 HydrophobicContact CD1-CB 3.83Å; L817-A905 HydrophobicContact CD2-CB 4.23Å
818	S	95.1	Very high	92.9	Very high	52 Å²	52	48.7 Å²	48.7	36%	0.364	25%	0.25	S	C	.	.	H	α-helix	trans	-65.3	-32.5	175.6	82.2	0	0	0	0	112.7	Q814 E815 M816 C820 K821	Q814-S818 WeakPolarHBondContact O-CB 3.38Å; Q814-S818 PolarHBondContact O-N 3.13Å; E815-S818 WeakPolarHBondContact O-CB 3.41Å; E815-S818 PolarHBondContact O-N 3.38Å; E815-S818 VanDerWaalsContact O-N 3.1Å; E815-S818 PolarHBondContact O-OG 2.87Å; M816-S818 VanDerWaalsContact C-N 3.26Å; M816-S818 PolarHBondContact O-N 3.43Å; S818-C820 PolarHBondContact O-N 3.17Å; S818-K821 VanDerWaalsContact O-CB 3.28Å; S818-K821 WeakPolarHBondContact O-CB 3.25Å; S818-K821 VanDerWaalsContact O-CG 3.29Å; S818-K821 WeakPolarHBondContact O-CG 3.5Å; S818-K821 PolarHBondContact O-N 2.93Å
819	R	94.7	Very high	91.8	Very high	106 Å²	106	52.7 Å²	52.7	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-71.9	-16.9	174.2	-64.9	174.7	-172.3	-153.2	2.9	112.8	S767 E815 M816 L817 K821 T841	S767-R819 PolarHBondContact O-NH1 2.94Å; E815-R819 WeakPolarHBondContact O-CG 3.23Å; E815-R819 PolarHBondContact O-N 3.35Å; E815-R819 IonicContact OE1-CZ 3.56Å; E815-R819 IonicContact OE1-NE 3.72Å; E815-R819 IonicContact OE1-NH2 2.66Å; E815-R819 PolarHBondContact OE1-NH2 3.4Å; M816-R819 WeakPolarHBondContact O-CB 3.4Å; M816-R819 PolarHBondContact O-N 3.03Å; M816-R819 VanDerWaalsContact O-N 3.12Å; L817-R819 VanDerWaalsContact C-N 3.29Å; L817-R819 PolarHBondContact O-N 3.42Å; R819-K821 VanDerWaalsContact C-N 3.29Å; R819-T841 HydrophobicContact CB-CG2 4.22Å
820	C	93	Very high	90.5	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.2	171.9	-55.8	0	0	0	0	112.9	M816 L817 S818 G822 H908	M816-C820 PolarHBondContact O-N 2.91Å; M816-C820 PolarHBondContact O-SG 3.28Å; M816-C820 VanDerWaalsContact O-SG 3.33Å; L817-C820 WeakPolarHBondContact O-CB 3.41Å; L817-C820 PolarHBondContact O-N 3.29Å; L817-C820 VanDerWaalsContact O-N 3.12Å; S818-C820 PolarHBondContact O-N 3.17Å; C820-G822 PolarHBondContact O-N 3.24Å; C820-H908 PolarHBondContact O-CE1 2.8Å; C820-H908 PolarHBondContact O-NE2 3.01Å
821	K	89.2	Confident	89.6	Confident	156 Å²	156	60.6 Å²	60.6	68%	0.678	31%	0.313	S	S	*	.			trans	-65.1	132	-177.9	-71.1	178.7	178.4	179.8	0	111.4	S818 R819	S818-K821 VanDerWaalsContact O-CB 3.28Å; S818-K821 WeakPolarHBondContact O-CB 3.25Å; S818-K821 VanDerWaalsContact O-CG 3.29Å; S818-K821 WeakPolarHBondContact O-CG 3.5Å; S818-K821 PolarHBondContact O-N 2.93Å; R819-K821 VanDerWaalsContact C-N 3.29Å
822	G	89.5	Confident	89	Confident	28 Å²	28	58.4 Å²	58.4	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	146.2	-175.1	-179.4	0	0	0	0	0	109.8	C820 Q912	C820-G822 PolarHBondContact O-N 3.24Å; G822-Q912 PolarHBondContact O-NE2 3.09Å
823	E	89.9	Confident	88.6	Confident	85 Å²	85	59 Å²	59	40%	0.397	30%	0.299	S	S	.	.			trans	-105.5	128.5	168.7	-64.9	-175.2	170.1	0	0	108.3	L825 E826 R835	E823-L825 PolarHBondContact O-N 2.89Å; E823-E826 HydrophobicContact CB-CB 4.4Å; E823-R835 WeakPolarHBondContact O-CD 3.36Å
824	V	91.9	Very high	88.4	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	30%	0.302	C	S	.	.	S	Bend	trans	-67.2	-23.6	178.9	-63.9	0	0	0	0	112.3	R835 L838 L916 Y951 L955	V824-R835 PolarHBondContact O-N 3.26Å; V824-L838 HydrophobicContact CG1-CB 4.16Å; V824-L916 HydrophobicContact CG2-CD1 4.11Å; V824-L916 HydrophobicContact CG2-CD2 4.32Å; V824-L916 HydrophobicContact CG2-CG 4.45Å; V824-Y951 HydrophobicContact CB-CD1 3.85Å; V824-Y951 HydrophobicContact CB-CE1 3.79Å; V824-Y951 HydrophobicContact CG2-CD1 3.7Å; V824-Y951 HydrophobicContact CG2-CE1 4.16Å; V824-Y951 HydrophobicContact CG2-CG 4.48Å; V824-L955 HydrophobicContact CG2-CD1 4.28Å
825	L	90.6	Very high	88.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	115.8	174.6	-169.2	69.9	0	0	0	107.3	E823 L832 T834 L916 L919 Q948	E823-L825 PolarHBondContact O-N 2.89Å; L825-L832 HydrophobicContact CD1-CD1 3.78Å; L825-L832 HydrophobicContact CD1-CD2 4.27Å; L825-L832 HydrophobicContact CD1-CG 3.94Å; L825-L832 HydrophobicContact CD2-CD1 4.06Å; L825-L832 HydrophobicContact CG-CD1 3.68Å; L825-L832 HydrophobicContact CG-CG 4.4Å; L825-T834 HydrophobicContact CD1-CG2 3.59Å; L825-L916 HydrophobicContact CB-CD2 3.44Å; L825-L916 VanDerWaalsContact CB-CD2 3.44Å; L825-L916 HydrophobicContact CD2-CD2 3.62Å; L825-L916 HydrophobicContact CG-CD2 4.15Å; L825-L919 HydrophobicContact CB-CD1 4.46Å; L825-L919 HydrophobicContact CD2-CD1 3.87Å; L825-L919 HydrophobicContact CG-CD1 4.2Å; L825-Q948 HydrophobicContact CD2-CB 4.18Å; L825-Q948 HydrophobicContact CD2-CG 4.24Å
826	E	87.3	Confident	88.2	Confident	48 Å²	48	57 Å²	57	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.6	-176.5	179.7	-179.1	-166.7	0	0	109.7	E823 K828 T833 R835	E823-E826 HydrophobicContact CB-CB 4.4Å; E826-K828 HydrophobicContact CG-CB 4.46Å; E826-T833 PolarHBondContact N-O 3.02Å; E826-T833 PolarHBondContact O-N 3.37Å; E826-T833 PolarHBondContact O-OG1 3.21Å; E826-R835 IonicContact OE2-CZ 3.44Å; E826-R835 IonicContact OE2-NE 3.73Å; E826-R835 IonicContact OE2-NH2 2.63Å; E826-R835 PolarHBondContact OE2-NH2 3.36Å
827	M	82.8	Confident	88.1	Confident	58 Å²	58	60.2 Å²	60.2	29%	0.286	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.1	175.5	-168.3	75.1	-130.5	0	0	108.9	G830 R831 L832 L919 L924	M827-G830 VanDerWaalsContact CE-CA 3.48Å; M827-G830 WeakPolarHBondContact CE-O 3.44Å; M827-R831 VanDerWaalsContact CE-O 3.3Å; M827-R831 WeakPolarHBondContact CE-O 3.29Å; M827-L832 HydrophobicContact CE-CB 4.43Å; M827-L832 HydrophobicContact SD-CB 3.99Å; M827-L832 HydrophobicContact SD-CD1 3.83Å; M827-L919 HydrophobicContact CB-CD2 3.66Å; M827-L919 HydrophobicContact CG-CD2 4.38Å; M827-L924 HydrophobicContact CE-CD1 4.15Å; M827-L924 HydrophobicContact CE-CD2 3.37Å; M827-L924 HydrophobicContact CE-CG 4.42Å; M827-L924 HydrophobicContact SD-CD1 3.85Å; M827-L924 HydrophobicContact SD-CD2 3.7Å; M827-L924 HydrophobicContact SD-CG 4.4Å
828	K	79.8	Confident	88	Confident	123 Å²	123	60.5 Å²	60.5	54%	0.535	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130	-177	-171	179.3	176	-176.1	0	110.9	E826 G830 R831	E826-K828 HydrophobicContact CG-CB 4.46Å; K828-G830 PolarHBondContact O-N 2.96Å; K828-G830 VanDerWaalsContact O-N 3.12Å; K828-R831 PolarHBondContact N-O 3.29Å; K828-R831 WeakPolarHBondContact O-CA 3.39Å; K828-R831 WeakPolarHBondContact O-CB 3.46Å; K828-R831 PolarHBondContact O-N 3.48Å
829	D	72.8	Confident	88.1	Confident	139 Å²	139	58 Å²	58	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	36.8	177.4	-54.8	-41.1	0	0	0	113.7	R831	D829-R831 PolarHBondContact O-N 3.1Å
830	G	69.6	Low	88.2	Confident	56 Å²	56	54.1 Å²	54.1	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	3.4	-177.5	0	0	0	0	0	115.1	M827 K828	M827-G830 VanDerWaalsContact CE-CA 3.48Å; M827-G830 WeakPolarHBondContact CE-O 3.44Å; K828-G830 PolarHBondContact O-N 2.96Å; K828-G830 VanDerWaalsContact O-N 3.12Å
831	R	77.1	Confident	88.4	Confident	127 Å²	127	55 Å²	55	48%	0.479	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.5	174.8	-58.4	-176.8	179.8	-154.9	-3.4	112.6	D485 M827 K828 D829	D485-R831 IonicContact OD1-NH1 3.7Å; M827-R831 VanDerWaalsContact CE-O 3.3Å; M827-R831 WeakPolarHBondContact CE-O 3.29Å; K828-R831 PolarHBondContact N-O 3.29Å; K828-R831 WeakPolarHBondContact O-CA 3.39Å; K828-R831 WeakPolarHBondContact O-CB 3.46Å; K828-R831 PolarHBondContact O-N 3.48Å; D829-R831 PolarHBondContact O-N 3.1Å
832	L	84.6	Confident	88.8	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.6	175.1	-173.4	68.3	0	0	0	108.9	W490 L825 M827 L921 M944	W490-L832 HydrophobicContact CH2-CD2 3.92Å; W490-L832 HydrophobicContact CZ2-CB 4.38Å; W490-L832 HydrophobicContact CZ2-CD2 3.6Å; W490-L832 HydrophobicContact CZ2-CG 3.95Å; W490-L832 PolarHBondContact NE1-O 3.12Å; L825-L832 HydrophobicContact CD1-CD1 3.78Å; L825-L832 HydrophobicContact CD1-CD2 4.27Å; L825-L832 HydrophobicContact CD1-CG 3.94Å; L825-L832 HydrophobicContact CD2-CD1 4.06Å; L825-L832 HydrophobicContact CG-CD1 3.68Å; L825-L832 HydrophobicContact CG-CG 4.4Å; M827-L832 HydrophobicContact CE-CB 4.43Å; M827-L832 HydrophobicContact SD-CB 3.99Å; M827-L832 HydrophobicContact SD-CD1 3.83Å; L832-L921 HydrophobicContact CD1-CD2 3.92Å; L832-L921 HydrophobicContact CD2-CD1 4.23Å; L832-L921 HydrophobicContact CD2-CD2 4.01Å; L832-M944 HydrophobicContact CD2-CB 4.13Å; L832-M944 HydrophobicContact CD2-CG 3.99Å; L832-M944 HydrophobicContact CD2-SD 4.21Å
833	T	89	Confident	89.2	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.2	178.7	52.8	0	0	0	0	111	E486 E826	E486-T833 WeakPolarHBondContact OE2-CA 3.44Å; E826-T833 PolarHBondContact N-O 3.02Å; E826-T833 PolarHBondContact O-N 3.37Å; E826-T833 PolarHBondContact O-OG1 3.21Å
834	T	92.8	Very high	89.6	Confident	12 Å²	12	42.4 Å²	42.4	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.9	-180	57.1	0	0	0	0	111.2	E486 W490 L520 L825 P836 V947 Y951	E486-T834 PolarHBondContact OE2-N 3.35Å; E486-T834 PolarHBondContact OE2-OG1 3.35Å; E486-T834 VanDerWaalsContact OE2-OG1 3.11Å; W490-T834 HydrophobicContact CH2-CG2 4.05Å; W490-T834 HydrophobicContact CZ2-CG2 3.83Å; L520-T834 HydrophobicContact CB-CG2 4.48Å; L520-T834 HydrophobicContact CD2-CG2 3.97Å; L520-T834 VanDerWaalsContact CD2-OG1 3.25Å; L520-T834 WeakPolarHBondContact CD2-OG1 3.43Å; L825-T834 HydrophobicContact CD1-CG2 3.59Å; T834-P836 VanDerWaalsContact C-CD 3.45Å; T834-P836 WeakPolarHBondContact O-CD 3.38Å; T834-V947 HydrophobicContact CG2-CG1 4.09Å; T834-Y951 HydrophobicContact CG2-CE2 4.35Å
835	R	94	Very high	89.9	Confident	100 Å²	100	42.2 Å²	42.2	38%	0.377	22%	0.222	S	C	.	.			trans	-124.6	69.3	176.2	-61.2	-168.8	-173.8	-176.2	3.4	111	E823 V824 E826 S837 L838	E823-R835 WeakPolarHBondContact O-CD 3.36Å; V824-R835 PolarHBondContact O-N 3.26Å; E826-R835 IonicContact OE2-CZ 3.44Å; E826-R835 IonicContact OE2-NE 3.73Å; E826-R835 IonicContact OE2-NH2 2.63Å; E826-R835 PolarHBondContact OE2-NH2 3.36Å; R835-S837 PolarHBondContact O-N 3.03Å; R835-L838 HydrophobicContact CB-CB 4.46Å; R835-L838 HydrophobicContact CB-CD1 3.83Å; R835-L838 HydrophobicContact CB-CG 4.03Å; R835-L838 HydrophobicContact CG-CD1 4.46Å; R835-L838 PolarHBondContact O-N 3.42Å; R835-L838 VanDerWaalsContact O-N 3.09Å
836	P	94.5	Very high	90.2	Very high	35 Å²	35	42.2 Å²	42.2	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-29.6	-178.2	24.3	-35.9	0	0	0	113.5	T834 L838 L839 E840 Y951	T834-P836 VanDerWaalsContact C-CD 3.45Å; T834-P836 WeakPolarHBondContact O-CD 3.38Å; P836-L838 VanDerWaalsContact C-N 3.3Å; P836-L838 PolarHBondContact O-N 3.4Å; P836-L839 PolarHBondContact O-N 2.93Å; P836-E840 PolarHBondContact O-N 2.92Å; P836-Y951 WeakPolarHBondContact CA-OH 3.3Å
837	S	94.7	Very high	90.7	Very high	72 Å²	72	40.3 Å²	40.3	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-32.7	176.6	55.6	0	0	0	0	113.5	R835 T841	R835-S837 PolarHBondContact O-N 3.03Å; S837-T841 WeakPolarHBondContact O-CB 3.44Å; S837-T841 PolarHBondContact O-N 3.36Å; S837-T841 PolarHBondContact O-OG1 2.96Å
838	L	95.8	Very high	91.5	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-41.2	175.1	-67.5	-179.5	0	0	0	111	V824 R835 P836 T841 L842	V824-L838 HydrophobicContact CG1-CB 4.16Å; R835-L838 HydrophobicContact CB-CB 4.46Å; R835-L838 HydrophobicContact CB-CD1 3.83Å; R835-L838 HydrophobicContact CB-CG 4.03Å; R835-L838 HydrophobicContact CG-CD1 4.46Å; R835-L838 PolarHBondContact O-N 3.42Å; R835-L838 VanDerWaalsContact O-N 3.09Å; P836-L838 VanDerWaalsContact C-N 3.3Å; P836-L838 PolarHBondContact O-N 3.4Å; L838-T841 PolarHBondContact O-N 2.88Å; L838-L842 WeakPolarHBondContact O-CB 3.23Å; L838-L842 PolarHBondContact O-N 2.96Å
839	L	96.3	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-45.7	175.9	-178	61.9	0	0	0	111.1	L554 P836 T841 L842 V843 Y951 L955 L958	L554-L839 HydrophobicContact CD2-CD2 4.39Å; P836-L839 PolarHBondContact O-N 2.93Å; L839-T841 VanDerWaalsContact C-N 3.33Å; L839-T841 PolarHBondContact O-N 3.31Å; L839-L842 WeakPolarHBondContact O-CB 3.03Å; L839-L842 PolarHBondContact O-N 3.02Å; L839-V843 WeakPolarHBondContact O-CG2 3.43Å; L839-V843 PolarHBondContact O-N 3.46Å; L839-Y951 HydrophobicContact CB-CE1 4.17Å; L839-Y951 HydrophobicContact CD2-CD1 3.9Å; L839-Y951 HydrophobicContact CD2-CE1 3.82Å; L839-L955 HydrophobicContact CD1-CD2 4.45Å; L839-L958 HydrophobicContact CD1-CD1 3.78Å
840	E	96.8	Very high	93.4	Very high	25 Å²	25	25.2 Å²	25.2	12%	0.117	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-40.5	176.5	-173.2	178.5	-145	0	0	111.8	R761 S764 P836 L842 V843 F844	R761-E840 WeakPolarHBondContact CG-OE1 3.49Å; R761-E840 IonicContact NE-OE1 2.63Å; R761-E840 PolarHBondContact NE-OE1 3.41Å; S764-E840 VanDerWaalsContact CB-OE2 3.28Å; S764-E840 WeakPolarHBondContact CB-OE2 3.33Å; S764-E840 PolarHBondContact OG-OE2 3.38Å; P836-E840 PolarHBondContact O-N 2.92Å; E840-L842 VanDerWaalsContact C-N 3.33Å; E840-L842 PolarHBondContact O-N 3.38Å; E840-V843 WeakPolarHBondContact O-CB 3.31Å; E840-V843 PolarHBondContact O-N 3.46Å; E840-F844 HydrophobicContact CG-CD2 4.13Å; E840-F844 HydrophobicContact CG-CE2 3.59Å; E840-F844 HydrophobicContact CG-CZ 4.19Å; E840-F844 WeakPolarHBondContact O-CD2 3.29Å; E840-F844 PolarHBondContact O-N 2.84Å
841	T	97.1	Very high	94.8	Very high	20 Å²	20	22.6 Å²	22.6	12%	0.123	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-40	175.5	-56.8	0	0	0	0	111.6	R819 S837 L838 L839 F844 F845	R819-T841 HydrophobicContact CB-CG2 4.22Å; S837-T841 WeakPolarHBondContact O-CB 3.44Å; S837-T841 PolarHBondContact O-N 3.36Å; S837-T841 PolarHBondContact O-OG1 2.96Å; L838-T841 PolarHBondContact O-N 2.88Å; L839-T841 VanDerWaalsContact C-N 3.33Å; L839-T841 PolarHBondContact O-N 3.31Å; T841-F844 PolarHBondContact O-N 3.25Å; T841-F845 PolarHBondContact O-N 3.31Å
842	L	97.5	Very high	95.7	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.1	-179	63.9	0	0	0	111.7	L838 L839 E840 F845 V846 V909 L955 L958	L838-L842 WeakPolarHBondContact O-CB 3.23Å; L838-L842 PolarHBondContact O-N 2.96Å; L839-L842 WeakPolarHBondContact O-CB 3.03Å; L839-L842 PolarHBondContact O-N 3.02Å; E840-L842 VanDerWaalsContact C-N 3.33Å; E840-L842 PolarHBondContact O-N 3.38Å; L842-F845 HydrophobicContact CD1-CD1 4.34Å; L842-F845 WeakPolarHBondContact O-CB 3.11Å; L842-F845 PolarHBondContact O-N 2.92Å; L842-V846 WeakPolarHBondContact O-CG2 3.45Å; L842-V846 PolarHBondContact O-N 2.88Å; L842-V909 HydrophobicContact CD1-CG2 4.32Å; L842-V909 HydrophobicContact CD2-CG2 3.9Å; L842-L955 HydrophobicContact CD2-CD2 3.82Å; L842-L958 HydrophobicContact CD2-CD1 3.9Å; L842-L958 HydrophobicContact CG-CD1 4.17Å
843	V	98.1	Very high	96.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-48.6	173.4	173.3	0	0	0	0	110.6	G552 S553 L839 E840 F845 V846 E847 L958	G552-V843 WeakPolarHBondContact O-CG1 3.1Å; S553-V843 WeakPolarHBondContact O-CG2 3.4Å; L839-V843 WeakPolarHBondContact O-CG2 3.43Å; L839-V843 PolarHBondContact O-N 3.46Å; E840-V843 WeakPolarHBondContact O-CB 3.31Å; E840-V843 PolarHBondContact O-N 3.46Å; V843-F845 VanDerWaalsContact C-N 3.27Å; V843-F845 PolarHBondContact O-N 3.33Å; V843-V846 PolarHBondContact O-N 3.37Å; V843-V846 VanDerWaalsContact O-N 3.11Å; V843-E847 HydrophobicContact CG1-CG 4.43Å; V843-E847 WeakPolarHBondContact CG1-OE1 3.41Å; V843-E847 WeakPolarHBondContact O-CG 3.47Å; V843-E847 PolarHBondContact O-N 3.07Å; V843-L958 HydrophobicContact CG2-CD1 4.04Å; V843-L958 HydrophobicContact CG2-CD2 3.98Å
844	F	98.3	Very high	96.5	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-38.2	175.8	-72.7	-53.7	0	0	0	113	W687 R761 A765 M816 E840 T841 T848	W687-F844 AromaticContact CH2-CE1 4Å; W687-F844 HydrophobicContact CH2-CE1 4Å; R761-F844 HydrophobicContact CB-CE1 4.49Å; R761-F844 HydrophobicContact CB-CZ 3.98Å; R761-F844 VanDerWaalsContact CZ-CE1 3.45Å; A765-F844 HydrophobicContact CB-CD1 4.35Å; A765-F844 HydrophobicContact CB-CE1 3.66Å; A765-F844 HydrophobicContact CB-CE2 4.27Å; A765-F844 HydrophobicContact CB-CZ 3.62Å; M816-F844 HydrophobicContact CE-CB 4.45Å; E840-F844 HydrophobicContact CG-CD2 4.13Å; E840-F844 HydrophobicContact CG-CE2 3.59Å; E840-F844 HydrophobicContact CG-CZ 4.19Å; E840-F844 WeakPolarHBondContact O-CD2 3.29Å; E840-F844 PolarHBondContact O-N 2.84Å; T841-F844 PolarHBondContact O-N 3.25Å; F844-T848 VanDerWaalsContact O-CB 3.27Å; F844-T848 WeakPolarHBondContact O-CB 3.48Å; F844-T848 PolarHBondContact O-N 3.49Å; F844-T848 PolarHBondContact O-OG1 3.47Å
845	F	98.1	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.3	-47	174	171.1	-92	0	0	0	111.2	L813 M816 L817 T841 L842 V843 T848 V849 V901 A905 L962	L813-F845 HydrophobicContact CB-CE2 4.47Å; L813-F845 HydrophobicContact CD2-CD2 4.48Å; L813-F845 HydrophobicContact CD2-CE2 4.26Å; M816-F845 HydrophobicContact CB-CD2 3.98Å; M816-F845 HydrophobicContact CE-CB 4.36Å; L817-F845 HydrophobicContact CB-CD2 4.25Å; L817-F845 HydrophobicContact CB-CE2 3.85Å; L817-F845 HydrophobicContact CB-CZ 4.35Å; L817-F845 HydrophobicContact CD1-CE1 4.46Å; L817-F845 HydrophobicContact CD1-CZ 4.32Å; T841-F845 PolarHBondContact O-N 3.31Å; L842-F845 HydrophobicContact CD1-CD1 4.34Å; L842-F845 WeakPolarHBondContact O-CB 3.11Å; L842-F845 PolarHBondContact O-N 2.92Å; V843-F845 VanDerWaalsContact C-N 3.27Å; V843-F845 PolarHBondContact O-N 3.33Å; F845-T848 PolarHBondContact O-N 2.85Å; F845-V849 HydrophobicContact CD1-CG2 4.2Å; F845-V849 HydrophobicContact CD2-CG2 4.4Å; F845-V849 HydrophobicContact CE1-CG2 3.71Å; F845-V849 HydrophobicContact CE2-CG2 3.95Å; F845-V849 HydrophobicContact CZ-CG2 3.59Å; F845-V849 WeakPolarHBondContact O-CG2 3.45Å; F845-V849 PolarHBondContact O-N 3.11Å; F845-V901 HydrophobicContact CE2-CG1 4.05Å; F845-V901 HydrophobicContact CZ-CG1 3.92Å; F845-A905 HydrophobicContact CD1-CB 4.35Å; F845-A905 HydrophobicContact CE1-CB 3.36Å; F845-A905 HydrophobicContact CZ-CB 3.75Å; F845-L962 HydrophobicContact CE1-CD2 4.34Å
846	V	97.8	Very high	96.7	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-44.7	178.4	177.5	0	0	0	0	111.9	L842 V843 T848 V849 C850 L958 L961 L962	L842-V846 WeakPolarHBondContact O-CG2 3.45Å; L842-V846 PolarHBondContact O-N 2.88Å; V843-V846 PolarHBondContact O-N 3.37Å; V843-V846 VanDerWaalsContact O-N 3.11Å; V846-T848 VanDerWaalsContact C-N 3.3Å; V846-T848 PolarHBondContact O-N 2.7Å; V846-V849 PolarHBondContact O-N 2.84Å; V846-C850 PolarHBondContact O-N 3.46Å; V846-C850 VanDerWaalsContact O-N 3.1Å; V846-C850 PolarHBondContact O-SG 3.32Å; V846-L958 HydrophobicContact CB-CD2 4.13Å; V846-L958 HydrophobicContact CG1-CD2 4.44Å; V846-L958 HydrophobicContact CG2-CD2 3.79Å; V846-L961 HydrophobicContact CG1-CD2 3.65Å; V846-L961 HydrophobicContact CG1-CG 4Å; V846-L962 HydrophobicContact CG1-CD2 4.42Å; V846-L962 HydrophobicContact CG1-CG 4.4Å; V846-L962 HydrophobicContact CG2-CD1 3.86Å; V846-L962 HydrophobicContact CG2-CD2 3.91Å; V846-L962 HydrophobicContact CG2-CG 3.73Å
847	E	97.8	Very high	96.6	Very high	8 Å²	8	10.2 Å²	10.2	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-57.2	-44.4	174.4	-69.2	-177.3	-148.3	0	0	110.9	Y623 R691 R761 V843 C850 V851	Y623-E847 HydrophobicContact CD2-CG 4.14Å; Y623-E847 HydrophobicContact CE1-CB 4.26Å; Y623-E847 HydrophobicContact CE2-CB 4.24Å; Y623-E847 HydrophobicContact CE2-CG 3.9Å; R691-E847 IonicContact CZ-OE2 3.87Å; R691-E847 IonicContact NH1-OE2 3.92Å; R691-E847 PolarHBondContact NH1-OE2 3.24Å; R691-E847 IonicContact NH2-OE2 3.39Å; R691-E847 PolarHBondContact NH2-OE2 2.99Å; R691-E847 VanDerWaalsContact NH2-OE2 3.16Å; R761-E847 IonicContact CZ-OE1 2.78Å; R761-E847 IonicContact NH1-OE1 3.86Å; R761-E847 PolarHBondContact NH1-OE1 3.32Å; R761-E847 IonicContact NH2-OE1 3.33Å; R761-E847 PolarHBondContact NH2-OE1 3.04Å; V843-E847 HydrophobicContact CG1-CG 4.43Å; V843-E847 WeakPolarHBondContact CG1-OE1 3.41Å; V843-E847 WeakPolarHBondContact O-CG 3.47Å; V843-E847 PolarHBondContact O-N 3.07Å; E847-C850 WeakPolarHBondContact O-CB 3.39Å; E847-C850 PolarHBondContact O-N 2.99Å; E847-V851 PolarHBondContact O-N 3.1Å
848	T	98.3	Very high	96.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.4	-40.7	179.9	-59.8	0	0	0	0	112.5	S770 C773 Q774 L813 M816 F844 F845 V846 C850 V851 V852	S770-T848 PolarHBondContact OG-OG1 3.38Å; C773-T848 HydrophobicContact CB-CG2 3.84Å; Q774-T848 HydrophobicContact CG-CG2 3.88Å; Q774-T848 PolarHBondContact NE2-OG1 3.11Å; L813-T848 HydrophobicContact CD2-CG2 3.87Å; M816-T848 HydrophobicContact CE-CG2 4.4Å; M816-T848 HydrophobicContact SD-CG2 3.95Å; F844-T848 VanDerWaalsContact O-CB 3.27Å; F844-T848 WeakPolarHBondContact O-CB 3.48Å; F844-T848 PolarHBondContact O-N 3.49Å; F844-T848 PolarHBondContact O-OG1 3.47Å; F845-T848 PolarHBondContact O-N 2.85Å; V846-T848 VanDerWaalsContact C-N 3.3Å; V846-T848 PolarHBondContact O-N 2.7Å; T848-C850 VanDerWaalsContact C-N 3.26Å; T848-C850 PolarHBondContact O-N 3.23Å; T848-V851 PolarHBondContact O-N 3.13Å; T848-V851 VanDerWaalsContact O-N 3.17Å; T848-V852 HydrophobicContact CG2-CG2 4.35Å; T848-V852 WeakPolarHBondContact O-CG2 3.07Å; T848-V852 PolarHBondContact O-N 3.06Å
849	V	97.4	Very high	96.4	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.024	4%	0.036	C	C	.	.	H	α-helix	trans	-57.1	-42.7	173.3	164.8	0	0	0	0	110.2	L813 F845 V846 V851 V852 L853 V902	L813-V849 HydrophobicContact CD2-CG2 4.08Å; F845-V849 HydrophobicContact CD1-CG2 4.2Å; F845-V849 HydrophobicContact CD2-CG2 4.4Å; F845-V849 HydrophobicContact CE1-CG2 3.71Å; F845-V849 HydrophobicContact CE2-CG2 3.95Å; F845-V849 HydrophobicContact CZ-CG2 3.59Å; F845-V849 WeakPolarHBondContact O-CG2 3.45Å; F845-V849 PolarHBondContact O-N 3.11Å; V846-V849 PolarHBondContact O-N 2.84Å; V849-V851 PolarHBondContact O-N 2.91Å; V849-V852 PolarHBondContact O-N 3.41Å; V849-L853 HydrophobicContact CG1-CD1 3.79Å; V849-L853 HydrophobicContact CG1-CG 4.14Å; V849-L853 WeakPolarHBondContact O-CB 3.48Å; V849-L853 WeakPolarHBondContact O-CG 3.3Å; V849-L853 PolarHBondContact O-N 3.26Å; V849-V902 HydrophobicContact CG1-CG2 3.9Å
850	C	97	Very high	96.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.6	-47.3	176.6	-62.9	0	0	0	0	111.7	Y623 V846 E847 T848 V852 L853 W854 R965	Y623-C850 HydrophobicContact CD1-CB 3.65Å; Y623-C850 HydrophobicContact CE1-CB 4.13Å; V846-C850 PolarHBondContact O-N 3.46Å; V846-C850 VanDerWaalsContact O-N 3.1Å; V846-C850 PolarHBondContact O-SG 3.32Å; E847-C850 WeakPolarHBondContact O-CB 3.39Å; E847-C850 PolarHBondContact O-N 2.99Å; T848-C850 VanDerWaalsContact C-N 3.26Å; T848-C850 PolarHBondContact O-N 3.23Å; C850-V852 PolarHBondContact O-N 2.84Å; C850-L853 PolarHBondContact O-N 3.23Å; C850-W854 HydrophobicContact CB-CE3 4.42Å; C850-W854 HydrophobicContact CB-CH2 3.87Å; C850-W854 HydrophobicContact CB-CZ2 4.27Å; C850-W854 HydrophobicContact CB-CZ3 3.95Å; C850-W854 VanDerWaalsContact O-CD2 3.26Å; C850-W854 PolarHBondContact O-N 3.43Å; C850-R965 PolarHBondContact SG-NE 3.25Å; C850-R965 VanDerWaalsContact SG-NE 3.35Å
851	V	97.4	Very high	95.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.1	-48.7	176.9	178.1	0	0	0	0	111.8	Y623 L698 Q774 L778 E847 T848 V849 L853 W854 V855	Y623-V851 HydrophobicContact CE1-CG2 4.21Å; L698-V851 HydrophobicContact CD1-CG2 4.49Å; L698-V851 HydrophobicContact CD2-CG1 4.26Å; L698-V851 HydrophobicContact CD2-CG2 4.34Å; Q774-V851 HydrophobicContact CB-CG1 4.37Å; Q774-V851 HydrophobicContact CG-CB 4.24Å; Q774-V851 HydrophobicContact CG-CG1 4.34Å; Q774-V851 HydrophobicContact CG-CG2 4.18Å; L778-V851 HydrophobicContact CD1-CG1 4.38Å; L778-V851 HydrophobicContact CD2-CG1 4.22Å; L778-V851 HydrophobicContact CG-CG1 4.09Å; E847-V851 PolarHBondContact O-N 3.1Å; T848-V851 PolarHBondContact O-N 3.13Å; T848-V851 VanDerWaalsContact O-N 3.17Å; V849-V851 PolarHBondContact O-N 2.91Å; V851-L853 VanDerWaalsContact C-N 3.29Å; V851-L853 PolarHBondContact O-N 3.33Å; V851-W854 HydrophobicContact CG2-CE3 4.49Å; V851-W854 HydrophobicContact CG2-CZ3 4.4Å; V851-W854 PolarHBondContact O-N 2.93Å; V851-V855 WeakPolarHBondContact O-CG2 3.33Å; V851-V855 PolarHBondContact O-N 2.85Å
852	V	97.1	Very high	95.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62	-38.3	179.3	174.3	0	0	0	0	111.3	A777 L813 T848 V849 C850 V855 A856 W894 L898	A777-V852 HydrophobicContact CB-CG2 3.88Å; L813-V852 HydrophobicContact CD1-CB 4.37Å; L813-V852 HydrophobicContact CD1-CG1 4.07Å; L813-V852 HydrophobicContact CD1-CG2 4.22Å; L813-V852 HydrophobicContact CD2-CG2 4.46Å; T848-V852 HydrophobicContact CG2-CG2 4.35Å; T848-V852 WeakPolarHBondContact O-CG2 3.07Å; T848-V852 PolarHBondContact O-N 3.06Å; V849-V852 PolarHBondContact O-N 3.41Å; C850-V852 PolarHBondContact O-N 2.84Å; V852-V855 PolarHBondContact O-N 3.47Å; V852-A856 WeakPolarHBondContact O-CB 3.39Å; V852-A856 PolarHBondContact O-N 3.28Å; V852-W894 HydrophobicContact CG1-CZ2 3.96Å; V852-L898 HydrophobicContact CG1-CD1 4.18Å; V852-L898 HydrophobicContact CG1-CD2 3.81Å
853	L	95.4	Very high	95.2	Very high	8 Å²	8	6.3 Å²	6.3	4%	0.042	4%	0.04	C	C	.	.	H	α-helix	trans	-68	-37.6	177.8	-70.8	179.7	0	0	0	112.7	V849 C850 V851 A856 S857 R965 L969	V849-L853 HydrophobicContact CG1-CD1 3.79Å; V849-L853 HydrophobicContact CG1-CG 4.14Å; V849-L853 WeakPolarHBondContact O-CB 3.48Å; V849-L853 WeakPolarHBondContact O-CG 3.3Å; V849-L853 PolarHBondContact O-N 3.26Å; C850-L853 PolarHBondContact O-N 3.23Å; V851-L853 VanDerWaalsContact C-N 3.29Å; V851-L853 PolarHBondContact O-N 3.33Å; L853-A856 WeakPolarHBondContact O-CB 3.4Å; L853-A856 PolarHBondContact O-N 3.26Å; L853-S857 PolarHBondContact O-N 3.44Å; L853-R965 HydrophobicContact CD1-CB 3.79Å; L853-R965 HydrophobicContact CD1-CG 4.43Å; L853-L969 HydrophobicContact CD2-CD1 4.03Å; L853-L969 HydrophobicContact CD2-CD2 3.48Å; L853-L969 VanDerWaalsContact CD2-CD2 3.48Å; L853-L969 HydrophobicContact CD2-CG 3.56Å
854	W	95.4	Very high	94.8	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-65.2	-40.6	172.9	-68.1	-44.2	0	0	0	112	L622 Y623 A626 D627 L632 L698 L701 C850 V851 A856 S857 Y858	L622-W854 HydrophobicContact CB-CH2 3.84Å; L622-W854 HydrophobicContact CB-CZ2 4.36Å; L622-W854 VanDerWaalsContact O-CZ2 3.23Å; L622-W854 WeakPolarHBondContact O-CZ2 3.4Å; Y623-W854 AromaticContact CD1-CH2 3.57Å; Y623-W854 HydrophobicContact CD1-CH2 3.57Å; Y623-W854 AromaticContact CD1-CZ3 3.84Å; Y623-W854 HydrophobicContact CD1-CZ3 3.84Å; Y623-W854 HydrophobicContact CE1-CH2 4.03Å; Y623-W854 AromaticContact CE1-CZ3 3.81Å; Y623-W854 HydrophobicContact CE1-CZ3 3.81Å; A626-W854 HydrophobicContact CB-CZ2 4.01Å; D627-W854 PolarHBondContact OD2-NE1 3.45Å; L632-W854 HydrophobicContact CD1-CD2 4.31Å; L632-W854 HydrophobicContact CD2-CB 4.01Å; L632-W854 HydrophobicContact CD2-CD2 4.35Å; L632-W854 HydrophobicContact CD2-CG 3.86Å; L698-W854 HydrophobicContact CD1-CE3 4.15Å; L698-W854 HydrophobicContact CD1-CZ3 3.77Å; L698-W854 HydrophobicContact CD2-CE3 3.63Å; L698-W854 HydrophobicContact CD2-CZ3 4.14Å; L701-W854 HydrophobicContact CD2-CB 4.02Å; C850-W854 HydrophobicContact CB-CE3 4.42Å; C850-W854 HydrophobicContact CB-CH2 3.87Å; C850-W854 HydrophobicContact CB-CZ2 4.27Å; C850-W854 HydrophobicContact CB-CZ3 3.95Å; C850-W854 VanDerWaalsContact O-CD2 3.26Å; C850-W854 PolarHBondContact O-N 3.43Å; V851-W854 HydrophobicContact CG2-CE3 4.49Å; V851-W854 HydrophobicContact CG2-CZ3 4.4Å; V851-W854 PolarHBondContact O-N 2.93Å; W854-A856 VanDerWaalsContact C-N 3.31Å; W854-A856 PolarHBondContact O-N 3.08Å; W854-S857 WeakPolarHBondContact O-CB 3.46Å; W854-S857 PolarHBondContact O-N 3.23Å; W854-Y858 PolarHBondContact O-N 3.26Å
855	V	95.3	Very high	94.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-39.1	172.5	172.9	0	0	0	0	111	L701 A777 L778 L780 V851 V852 S857 Y858 S859 W894	L701-V855 HydrophobicContact CD2-CG2 3.96Å; A777-V855 HydrophobicContact CB-CG2 4.28Å; A777-V855 VanDerWaalsContact O-CG1 3.26Å; A777-V855 WeakPolarHBondContact O-CG1 3.34Å; A777-V855 WeakPolarHBondContact O-CG2 3.36Å; L778-V855 HydrophobicContact CD2-CG2 4.29Å; L780-V855 HydrophobicContact CB-CG1 4.36Å; L780-V855 HydrophobicContact CD2-CG1 4.05Å; L780-V855 HydrophobicContact CG-CG1 4.35Å; V851-V855 WeakPolarHBondContact O-CG2 3.33Å; V851-V855 PolarHBondContact O-N 2.85Å; V852-V855 PolarHBondContact O-N 3.47Å; V855-S857 VanDerWaalsContact C-N 3.34Å; V855-Y858 PolarHBondContact O-N 2.99Å; V855-S859 WeakPolarHBondContact O-CB 3.31Å; V855-S859 PolarHBondContact O-N 2.97Å; V855-S859 PolarHBondContact O-OG 3.09Å; V855-W894 HydrophobicContact CG1-CH2 4.45Å
856	A	94.4	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.8	-36.4	175.7	0	0	0	0	0	112.3	V852 L853 W854 S859 A860 W894 L898 L972	V852-A856 WeakPolarHBondContact O-CB 3.39Å; V852-A856 PolarHBondContact O-N 3.28Å; L853-A856 WeakPolarHBondContact O-CB 3.4Å; L853-A856 PolarHBondContact O-N 3.26Å; W854-A856 VanDerWaalsContact C-N 3.31Å; W854-A856 PolarHBondContact O-N 3.08Å; A856-S859 WeakPolarHBondContact O-CB 3.35Å; A856-S859 PolarHBondContact O-N 3.01Å; A856-A860 PolarHBondContact O-N 2.87Å; A856-W894 HydrophobicContact CB-CE3 4.45Å; A856-W894 HydrophobicContact CB-CH2 3.56Å; A856-W894 HydrophobicContact CB-CZ2 4.36Å; A856-W894 HydrophobicContact CB-CZ3 3.63Å; A856-L898 HydrophobicContact CB-CD1 4.25Å; A856-L972 HydrophobicContact CB-CD1 3.65Å
857	S	92.5	Very high	93.3	Very high	45 Å²	45	17.6 Å²	17.6	32%	0.315	9%	0.094	S	C	.	.	H	α-helix	trans	-61.8	-47.5	172.1	-167.2	0	0	0	0	111.9	L853 W854 V855 S859 A860 S861	L853-S857 PolarHBondContact O-N 3.44Å; W854-S857 WeakPolarHBondContact O-CB 3.46Å; W854-S857 PolarHBondContact O-N 3.23Å; V855-S857 VanDerWaalsContact C-N 3.34Å; S857-S859 VanDerWaalsContact C-N 3.34Å; S857-S859 PolarHBondContact O-N 3.15Å; S857-A860 WeakPolarHBondContact O-CB 3.47Å; S857-A860 PolarHBondContact O-N 3.48Å; S857-S861 PolarHBondContact O-N 2.88Å
858	Y	92.4	Very high	92.7	Very high	11 Å²	11	19.4 Å²	19.4	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-40.8	173.3	175.9	-110.8	0	0	0	112.4	L701 L704 L784 W854 V855 A860 S861 V862	L701-Y858 HydrophobicContact CD1-CD1 3.68Å; L701-Y858 HydrophobicContact CD1-CD2 4.27Å; L701-Y858 HydrophobicContact CD1-CE1 4.39Å; L701-Y858 HydrophobicContact CD1-CG 3.61Å; L704-Y858 HydrophobicContact CB-CD2 4.43Å; L704-Y858 HydrophobicContact CB-CE2 3.74Å; L784-Y858 HydrophobicContact CB-CE1 4.3Å; L784-Y858 HydrophobicContact CD1-CD1 4.5Å; W854-Y858 PolarHBondContact O-N 3.26Å; V855-Y858 PolarHBondContact O-N 2.99Å; Y858-A860 VanDerWaalsContact C-N 3.29Å; Y858-A860 PolarHBondContact O-N 3.43Å; Y858-S861 PolarHBondContact O-N 3.48Å; Y858-S861 VanDerWaalsContact O-N 3.11Å; Y858-S861 PolarHBondContact O-OG 3.38Å; Y858-V862 HydrophobicContact CD2-CG2 4.45Å; Y858-V862 HydrophobicContact CE1-CG2 4.13Å; Y858-V862 HydrophobicContact CE2-CG2 3.91Å; Y858-V862 PolarHBondContact O-N 2.99Å
859	S	93.4	Very high	92.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-42.9	174.8	-55.4	0	0	0	0	111.3	L784 V855 A856 S857 V862 L863	L784-S859 WeakPolarHBondContact CD1-OG 3.47Å; V855-S859 WeakPolarHBondContact O-CB 3.31Å; V855-S859 PolarHBondContact O-N 2.97Å; V855-S859 PolarHBondContact O-OG 3.09Å; A856-S859 WeakPolarHBondContact O-CB 3.35Å; A856-S859 PolarHBondContact O-N 3.01Å; S857-S859 VanDerWaalsContact C-N 3.34Å; S857-S859 PolarHBondContact O-N 3.15Å; S859-V862 PolarHBondContact O-N 2.89Å; S859-L863 VanDerWaalsContact O-CB 3.32Å; S859-L863 WeakPolarHBondContact O-CB 3.41Å; S859-L863 VanDerWaalsContact O-CG 3.24Å; S859-L863 WeakPolarHBondContact O-CG 3.34Å; S859-L863 PolarHBondContact O-N 3.32Å
860	A	91.8	Very high	91.4	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-38.5	175.6	0	0	0	0	0	112	A856 S857 Y858 V862 R864 F891 L972 I974	A856-A860 PolarHBondContact O-N 2.87Å; S857-A860 WeakPolarHBondContact O-CB 3.47Å; S857-A860 PolarHBondContact O-N 3.48Å; Y858-A860 VanDerWaalsContact C-N 3.29Å; Y858-A860 PolarHBondContact O-N 3.43Å; A860-V862 VanDerWaalsContact C-N 3.32Å; A860-V862 PolarHBondContact O-N 3.35Å; A860-R864 WeakPolarHBondContact O-CB 3.29Å; A860-R864 PolarHBondContact O-N 3Å; A860-F891 HydrophobicContact CB-CE1 4.3Å; A860-F891 HydrophobicContact CB-CZ 3.83Å; A860-L972 HydrophobicContact CB-CD2 4.3Å; A860-I974 HydrophobicContact CB-CG2 3.96Å
861	S	89.9	Confident	90.6	Very high	44 Å²	44	26.6 Å²	26.6	31%	0.308	14%	0.143	S	C	.	.	H	α-helix	trans	-65.9	-33	178.3	73.2	0	0	0	0	112.6	S857 Y858 P865	S857-S861 PolarHBondContact O-N 2.88Å; Y858-S861 PolarHBondContact O-N 3.48Å; Y858-S861 VanDerWaalsContact O-N 3.11Å; Y858-S861 PolarHBondContact O-OG 3.38Å; S861-P865 WeakPolarHBondContact O-CD 3.36Å; S861-P865 VanDerWaalsContact O-CG 3.28Å; S861-P865 WeakPolarHBondContact O-CG 3.2Å
862	V	89.9	Confident	89.8	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-77.9	-46.8	174.4	175	0	0	0	0	112.1	E788 Y858 S859 A860 P865 L866	E788-V862 HydrophobicContact CB-CG1 3.87Å; E788-V862 HydrophobicContact CG-CG1 4.24Å; Y858-V862 HydrophobicContact CD2-CG2 4.45Å; Y858-V862 HydrophobicContact CE1-CG2 4.13Å; Y858-V862 HydrophobicContact CE2-CG2 3.91Å; Y858-V862 PolarHBondContact O-N 2.99Å; S859-V862 PolarHBondContact O-N 2.89Å; A860-V862 VanDerWaalsContact C-N 3.32Å; A860-V862 PolarHBondContact O-N 3.35Å; V862-P865 WeakPolarHBondContact O-CD 3.4Å; V862-L866 HydrophobicContact CG1-CD1 4.11Å; V862-L866 WeakPolarHBondContact O-CG 3.43Å
863	L	90.9	Very high	88.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-75.9	-31.5	-171.9	-68	176.4	0	0	0	113.7	L787 S859 L866 K867 V887 L888 F891 I974	L787-L863 HydrophobicContact CD2-CD2 3.98Å; S859-L863 VanDerWaalsContact O-CB 3.32Å; S859-L863 WeakPolarHBondContact O-CB 3.41Å; S859-L863 VanDerWaalsContact O-CG 3.24Å; S859-L863 WeakPolarHBondContact O-CG 3.34Å; S859-L863 PolarHBondContact O-N 3.32Å; L863-L866 HydrophobicContact CD2-CD1 4.44Å; L863-L866 PolarHBondContact O-N 3.11Å; L863-K867 WeakPolarHBondContact O-CB 3.34Å; L863-K867 PolarHBondContact O-N 3.26Å; L863-V887 HydrophobicContact CD1-CG2 4.47Å; L863-V887 HydrophobicContact CD2-CG1 4.16Å; L863-V887 HydrophobicContact CD2-CG2 4.03Å; L863-L888 HydrophobicContact CB-CD2 3.93Å; L863-L888 HydrophobicContact CD2-CD2 4.29Å; L863-F891 HydrophobicContact CD1-CB 3.7Å; L863-F891 HydrophobicContact CD1-CD1 4.29Å; L863-F891 HydrophobicContact CD1-CD2 3.78Å; L863-F891 HydrophobicContact CD1-CG 3.64Å; L863-I974 HydrophobicContact CB-CD1 3.62Å; L863-I974 HydrophobicContact CD1-CD1 4.24Å
864	R	89.8	Confident	87.9	Confident	116 Å²	116	41 Å²	41	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-47.4	-178.6	-177	-175.2	-71.6	145	-4.8	112.3	A860 L866 K867 S868 S971 K973 I974	A860-R864 WeakPolarHBondContact O-CB 3.29Å; A860-R864 PolarHBondContact O-N 3Å; R864-L866 PolarHBondContact O-N 3.48Å; R864-K867 PolarHBondContact O-N 2.99Å; R864-S868 PolarHBondContact O-N 3.45Å; R864-S971 PolarHBondContact NH2-O 3.25Å; R864-K973 PolarHBondContact NH2-O 2.72Å; R864-I974 HydrophobicContact CB-CG2 4.04Å
865	P	88.7	Confident	86.7	Confident	65 Å²	65	50 Å²	50	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-60.2	-40.4	171.2	-25.1	34	0	0	0	113.9	S861 V862 S868 S869	S861-P865 WeakPolarHBondContact O-CD 3.36Å; S861-P865 VanDerWaalsContact O-CG 3.28Å; S861-P865 WeakPolarHBondContact O-CG 3.2Å; V862-P865 WeakPolarHBondContact O-CD 3.4Å; P865-S868 PolarHBondContact O-N 3.31Å; P865-S868 PolarHBondContact O-OG 3.38Å; P865-S869 WeakPolarHBondContact O-CB 3.43Å; P865-S869 PolarHBondContact O-N 3.21Å; P865-S869 PolarHBondContact O-OG 3.21Å
866	L	86.6	Confident	85.5	Confident	26 Å²	26	59 Å²	59	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-45.6	178.5	-70.1	174.6	0	0	0	111.6	L792 V862 L863 R864 S868 S869 L870	L792-L866 HydrophobicContact CD1-CB 3.83Å; L792-L866 HydrophobicContact CD2-CD1 4.45Å; L792-L866 HydrophobicContact CG-CB 4.17Å; L792-L866 HydrophobicContact CG-CD1 4.42Å; V862-L866 HydrophobicContact CG1-CD1 4.11Å; V862-L866 WeakPolarHBondContact O-CG 3.43Å; L863-L866 HydrophobicContact CD2-CD1 4.44Å; L863-L866 PolarHBondContact O-N 3.11Å; R864-L866 PolarHBondContact O-N 3.48Å; L866-S868 PolarHBondContact O-N 3.45Å; L866-S869 PolarHBondContact O-N 3.11Å; L866-L870 PolarHBondContact O-N 3.37Å
867	K	87.4	Confident	84.2	Confident	32 Å²	32	66.7 Å²	66.7	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-46.1	172.6	-176.5	179.1	-178	-174.9	0	111.6	L863 R864 S869 L870 Q871 L888 I974	L863-K867 WeakPolarHBondContact O-CB 3.34Å; L863-K867 PolarHBondContact O-N 3.26Å; R864-K867 PolarHBondContact O-N 2.99Å; K867-S869 VanDerWaalsContact C-N 3.32Å; K867-S869 PolarHBondContact O-N 3.39Å; K867-L870 PolarHBondContact O-N 2.92Å; K867-Q871 WeakPolarHBondContact O-CG 3.49Å; K867-Q871 PolarHBondContact O-N 3.12Å; K867-L888 HydrophobicContact CB-CD1 3.84Å; K867-L888 HydrophobicContact CB-CD2 4.07Å; K867-L888 HydrophobicContact CD-CD1 4.39Å; K867-L888 HydrophobicContact CG-CD1 3.92Å; K867-I974 PolarHBondContact NZ-O 3.39Å; K867-I974 PolarHBondContact NZ-OXT 3.07Å
868	S	86.4	Confident	82.5	Confident	45 Å²	45	74.2 Å²	74.2	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-38.1	178.8	82.4	0	0	0	0	112.3	R864 P865 L866 Q871 K872	R864-S868 PolarHBondContact O-N 3.45Å; P865-S868 PolarHBondContact O-N 3.31Å; P865-S868 PolarHBondContact O-OG 3.38Å; L866-S868 PolarHBondContact O-N 3.45Å; S868-Q871 PolarHBondContact O-N 2.8Å; S868-K872 WeakPolarHBondContact O-CG 3.35Å; S868-K872 PolarHBondContact O-N 2.85Å
869	S	84.8	Confident	80.6	Confident	21 Å²	21	78.4 Å²	78.4	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-68	-41.6	177.2	-66.5	0	0	0	0	111.3	R711 P865 L866 K867 K872 K873	R711-S869 PolarHBondContact NH2-OG 3.07Å; P865-S869 WeakPolarHBondContact O-CB 3.43Å; P865-S869 PolarHBondContact O-N 3.21Å; P865-S869 PolarHBondContact O-OG 3.21Å; L866-S869 PolarHBondContact O-N 3.11Å; K867-S869 VanDerWaalsContact C-N 3.32Å; K867-S869 PolarHBondContact O-N 3.39Å; S869-K872 PolarHBondContact O-N 2.62Å; S869-K873 PolarHBondContact O-N 3.35Å
870	L	82.6	Confident	78.6	Confident	24 Å²	24	84.4 Å²	84.4	13%	0.126	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-46.8	173.7	-169.2	98.1	0	0	0	111.4	L792 L866 K867 K872 K873 K874 P885	L792-L870 HydrophobicContact CD1-CB 4.44Å; L792-L870 HydrophobicContact CD1-CD1 4.23Å; L866-L870 PolarHBondContact O-N 3.37Å; K867-L870 PolarHBondContact O-N 2.92Å; L870-K872 VanDerWaalsContact C-N 3.33Å; L870-K872 PolarHBondContact O-N 3.48Å; L870-K873 PolarHBondContact O-N 2.73Å; L870-K874 WeakPolarHBondContact O-CG 3.44Å; L870-K874 PolarHBondContact O-N 2.85Å; L870-P885 HydrophobicContact CD1-CG 4.12Å; L870-P885 HydrophobicContact CD2-CG 3.86Å
871	Q	81.6	Confident	76.6	Confident	110 Å²	110	89.4 Å²	89.4	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-38.7	177.4	-73.3	178.8	-12.3	0	0	112.5	K867 S868 K874 K875	K867-Q871 WeakPolarHBondContact O-CG 3.49Å; K867-Q871 PolarHBondContact O-N 3.12Å; S868-Q871 PolarHBondContact O-N 2.8Å; Q871-K874 PolarHBondContact O-N 3.17Å; Q871-K875 PolarHBondContact O-N 3.36Å
872	K	80.4	Confident	75	Confident	138 Å²	138	90.4 Å²	90.4	60%	0.6	45%	0.451	S	S	*	.	H	α-helix	trans	-65.7	-40.9	173.3	-74.1	175.3	-178.1	176.8	0	112.2	S868 S869 L870 K876	S868-K872 WeakPolarHBondContact O-CG 3.35Å; S868-K872 PolarHBondContact O-N 2.85Å; S869-K872 PolarHBondContact O-N 2.62Å; L870-K872 VanDerWaalsContact C-N 3.33Å; L870-K872 PolarHBondContact O-N 3.48Å; K872-K876 PolarHBondContact O-N 3.29Å
873	K	76.7	Confident	73.8	Confident	112 Å²	112	94.4 Å²	94.4	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-43.6	173.6	-76.3	-173.6	-177.1	-177	0	111.4	D793 S869 L870 K876 K877	D793-K873 IonicContact OD2-NZ 2.62Å; D793-K873 PolarHBondContact OD2-NZ 3.37Å; S869-K873 PolarHBondContact O-N 3.35Å; L870-K873 PolarHBondContact O-N 2.73Å; K873-K876 PolarHBondContact O-N 3Å; K873-K876 VanDerWaalsContact O-N 3.15Å; K873-K877 PolarHBondContact O-N 3.13Å
874	K	74.6	Confident	72.9	Confident	62 Å²	62	98 Å²	98	27%	0.27	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-45.7	176.9	-72.1	-175.4	-179.5	-166.7	0	112.6	L870 Q871 K876 K877 K878 S882	L870-K874 WeakPolarHBondContact O-CG 3.44Å; L870-K874 PolarHBondContact O-N 2.85Å; Q871-K874 PolarHBondContact O-N 3.17Å; K874-K876 PolarHBondContact O-N 2.61Å; K874-K877 PolarHBondContact O-N 2.95Å; K874-K878 PolarHBondContact O-N 3.33Å; K874-S882 WeakPolarHBondContact CE-OG 3.28Å; K874-S882 PolarHBondContact NZ-O 3.31Å; K874-S882 PolarHBondContact NZ-OG 2.84Å
875	K	71.3	Confident	72.5	Confident	193 Å²	193	93.3 Å²	93.3	84%	0.839	49%	0.487	S	S	*	.	H	α-helix	trans	-59.3	-32.3	174.6	-85.8	-174.5	175.6	180	0	113.2	Q871	Q871-K875 PolarHBondContact O-N 3.36Å
876	K	69.4	Low	72.4	Confident	191 Å²	191	94.5 Å²	94.5	83%	0.83	49%	0.493	S	S	*	.	H	α-helix	trans	-78.6	-34.7	178	-80.6	-173.9	174.4	-175.3	0	113.9	K872 K873 K874	K872-K876 PolarHBondContact O-N 3.29Å; K873-K876 PolarHBondContact O-N 3Å; K873-K876 VanDerWaalsContact O-N 3.15Å; K874-K876 PolarHBondContact O-N 2.61Å
877	K	66.4	Low	72.5	Confident	161 Å²	161	93.3 Å²	93.3	70%	0.7	49%	0.486	S	S	*	.	H	α-helix	trans	-88	-6.7	-174.9	-79.4	-171.6	173.9	-175.4	0	115.5	K873 K874 D879	K873-K877 PolarHBondContact O-N 3.13Å; K874-K877 PolarHBondContact O-N 2.95Å; K877-D879 PolarHBondContact O-N 3.5Å; K877-D879 VanDerWaalsContact O-N 3.07Å
878	K	57.3	Low	72.6	Confident	203 Å²	203	91.9 Å²	91.9	88%	0.883	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	14.5	-174.5	-98.6	-174.9	-179.6	-179.2	0	114.5	K874	K874-K878 PolarHBondContact O-N 3.33Å
879	D	52.6	Low	72.7	Confident	98 Å²	98	92 Å²	92	52%	0.524	48%	0.481	S	S	.	.			trans	-83	114.3	173.6	-79.9	-37.7	0	0	0	110.4	K877	K877-D879 PolarHBondContact O-N 3.5Å; K877-D879 VanDerWaalsContact O-N 3.07Å
880	S	52	Low	73	Confident	127 Å²	127	91.5 Å²	91.5	89%	0.888	48%	0.479	S	S	*	.			trans	-89.3	-7.6	177.6	56.2	0	0	0	0	114.1
881	S	49.4	Very low	73.5	Confident	107 Å²	107	90.4 Å²	90.4	75%	0.748	47%	0.473	S	S	*	.			trans	-119.2	17	-164.5	70.1	0	0	0	0	117.2	A883	S881-A883 PolarHBondContact O-N 3.26Å
882	S	56.6	Low	74	Confident	64 Å²	64	89.2 Å²	89.2	45%	0.448	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-79.3	123.5	172.1	128.7	0	0	0	0	110.7	K874	K874-S882 WeakPolarHBondContact CE-OG 3.28Å; K874-S882 PolarHBondContact NZ-O 3.31Å; K874-S882 PolarHBondContact NZ-OG 2.84Å
883	A	64.6	Low	74.6	Confident	88 Å²	88	88.5 Å²	88.5	73%	0.727	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-54.3	151.4	173.6	0	0	0	0	0	111.6	S881	S881-A883 PolarHBondContact O-N 3.26Å
884	M	72.1	Confident	75.5	Confident	75 Å²	75	83.5 Å²	83.5	37%	0.369	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68.8	133.2	174.6	-171.2	149.4	161.3	0	0	108.9	V886 L888	M884-V886 PolarHBondContact O-N 3.39Å; M884-L888 HydrophobicContact CE-CB 3.58Å; M884-L888 HydrophobicContact CE-CD1 4.24Å; M884-L888 HydrophobicContact CG-CB 4.21Å; M884-L888 HydrophobicContact CG-CD1 4.43Å
885	P	81.7	Confident	76.4	Confident	17 Å²	17	81.3 Å²	81.3	11%	0.11	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-50.9	136.3	177.6	-28.2	31.9	0	0	0	111.9	L792 L870 V887 L888 C889	L792-P885 HydrophobicContact CD1-CG 4.1Å; L792-P885 HydrophobicContact CD2-CB 4.3Å; L870-P885 HydrophobicContact CD1-CG 4.12Å; L870-P885 HydrophobicContact CD2-CG 3.86Å; P885-V887 HydrophobicContact CB-CG1 4.33Å; P885-V887 PolarHBondContact O-N 2.96Å; P885-L888 HydrophobicContact CB-CD1 4.34Å; P885-L888 HydrophobicContact CB-CG 4.43Å; P885-L888 HydrophobicContact CG-CD1 4.13Å; P885-L888 PolarHBondContact O-N 3.24Å; P885-C889 PolarHBondContact O-N 3.16Å
886	V	85.8	Confident	77.4	Confident	91 Å²	91	74 Å²	74	55%	0.552	42%	0.416	S	S	*	.	H	α-helix	trans	-57.3	-37.2	-172.6	-180	0	0	0	0	111.2	M884 L888 C889 G890	M884-V886 PolarHBondContact O-N 3.39Å; V886-L888 VanDerWaalsContact C-N 3.33Å; V886-L888 PolarHBondContact O-N 2.56Å; V886-C889 PolarHBondContact O-N 2.63Å; V886-G890 PolarHBondContact O-N 3.38Å
887	V	88.5	Confident	78.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-33.3	178.1	69.2	0	0	0	0	113.9	L787 L792 Q799 I802 F806 L863 P885 F891	L787-V887 HydrophobicContact CD2-CG1 4.24Å; L787-V887 HydrophobicContact CD2-CG2 4.06Å; L792-V887 HydrophobicContact CD2-CG1 3.77Å; Q799-V887 HydrophobicContact CB-CB 4.06Å; Q799-V887 HydrophobicContact CG-CB 3.92Å; Q799-V887 HydrophobicContact CG-CG1 3.88Å; I802-V887 HydrophobicContact CB-CG2 4.24Å; I802-V887 HydrophobicContact CG2-CG2 3.62Å; F806-V887 HydrophobicContact CE2-CG2 4.27Å; L863-V887 HydrophobicContact CD1-CG2 4.47Å; L863-V887 HydrophobicContact CD2-CG1 4.16Å; L863-V887 HydrophobicContact CD2-CG2 4.03Å; P885-V887 HydrophobicContact CB-CG1 4.33Å; P885-V887 PolarHBondContact O-N 2.96Å; V887-F891 WeakPolarHBondContact O-CB 3.28Å; V887-F891 PolarHBondContact O-N 3.06Å
888	L	89.1	Confident	80.1	Confident	2 Å²	2	60 Å²	60	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-74.9	-38.3	179.2	-68	175	0	0	0	111.6	L863 K867 M884 P885 V886 Q892 I974	L863-L888 HydrophobicContact CB-CD2 3.93Å; L863-L888 HydrophobicContact CD2-CD2 4.29Å; K867-L888 HydrophobicContact CB-CD1 3.84Å; K867-L888 HydrophobicContact CB-CD2 4.07Å; K867-L888 HydrophobicContact CD-CD1 4.39Å; K867-L888 HydrophobicContact CG-CD1 3.92Å; M884-L888 HydrophobicContact CE-CB 3.58Å; M884-L888 HydrophobicContact CE-CD1 4.24Å; M884-L888 HydrophobicContact CG-CB 4.21Å; M884-L888 HydrophobicContact CG-CD1 4.43Å; P885-L888 HydrophobicContact CB-CD1 4.34Å; P885-L888 HydrophobicContact CB-CG 4.43Å; P885-L888 HydrophobicContact CG-CD1 4.13Å; P885-L888 PolarHBondContact O-N 3.24Å; V886-L888 VanDerWaalsContact C-N 3.33Å; V886-L888 PolarHBondContact O-N 2.56Å; L888-Q892 WeakPolarHBondContact O-CG 3.46Å; L888-Q892 PolarHBondContact O-N 3.15Å; L888-I974 HydrophobicContact CD2-CD1 3.86Å
889	C	88.9	Confident	81.8	Confident	48 Å²	48	54.5 Å²	54.5	32%	0.324	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-46.3	172.1	-62.9	0	0	0	0	110.5	P885 V886 F891 Q892 E893	P885-C889 PolarHBondContact O-N 3.16Å; V886-C889 PolarHBondContact O-N 2.63Å; C889-F891 VanDerWaalsContact C-N 3.29Å; C889-F891 PolarHBondContact O-N 2.93Å; C889-Q892 PolarHBondContact O-N 2.93Å; C889-Q892 VanDerWaalsContact O-N 3.1Å; C889-E893 PolarHBondContact O-N 3.43Å
890	G	91.3	Very high	83.8	Confident	10 Å²	10	51.3 Å²	51.3	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-38.5	177.3	0	0	0	0	0	112.9	V886 E893 W894	V886-G890 PolarHBondContact O-N 3.38Å; G890-E893 PolarHBondContact O-N 2.82Å; G890-W894 VanDerWaalsContact O-CB 3.24Å; G890-W894 WeakPolarHBondContact O-CB 3.37Å; G890-W894 PolarHBondContact O-N 3.48Å
891	F	94.1	Very high	86	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-37.7	175.2	-179	-97.7	0	0	0	113.1	F806 A860 L863 V887 C889 W894 T895 L972 I974	F806-F891 HydrophobicContact CE1-CD2 4.31Å; F806-F891 HydrophobicContact CE2-CB 3.83Å; F806-F891 HydrophobicContact CE2-CD2 4.29Å; F806-F891 HydrophobicContact CZ-CB 4.18Å; F806-F891 AromaticContact CZ-CD2 3.83Å; F806-F891 HydrophobicContact CZ-CD2 3.83Å; A860-F891 HydrophobicContact CB-CE1 4.3Å; A860-F891 HydrophobicContact CB-CZ 3.83Å; L863-F891 HydrophobicContact CD1-CB 3.7Å; L863-F891 HydrophobicContact CD1-CD1 4.29Å; L863-F891 HydrophobicContact CD1-CD2 3.78Å; L863-F891 HydrophobicContact CD1-CG 3.64Å; V887-F891 WeakPolarHBondContact O-CB 3.28Å; V887-F891 PolarHBondContact O-N 3.06Å; C889-F891 VanDerWaalsContact C-N 3.29Å; C889-F891 PolarHBondContact O-N 2.93Å; F891-W894 AromaticContact CD2-CE3 3.58Å; F891-W894 HydrophobicContact CD2-CE3 3.58Å; F891-W894 AromaticContact CD2-CZ3 3.93Å; F891-W894 HydrophobicContact CD2-CZ3 3.93Å; F891-W894 AromaticContact CE2-CE3 3.68Å; F891-W894 HydrophobicContact CE2-CE3 3.68Å; F891-W894 AromaticContact CE2-CZ3 3.7Å; F891-W894 HydrophobicContact CE2-CZ3 3.7Å; F891-W894 PolarHBondContact O-N 3.04Å; F891-T895 HydrophobicContact CD1-CG2 4.26Å; F891-T895 HydrophobicContact CD2-CG2 4.43Å; F891-T895 HydrophobicContact CE1-CG2 3.73Å; F891-T895 HydrophobicContact CE2-CG2 3.89Å; F891-T895 HydrophobicContact CZ-CG2 3.51Å; F891-T895 WeakPolarHBondContact O-CG2 3.48Å; F891-T895 PolarHBondContact O-N 3.36Å; F891-T895 PolarHBondContact O-OG1 3.21Å; F891-L972 WeakPolarHBondContact CE1-O 2.85Å; F891-I974 HydrophobicContact CD1-CD1 3.32Å; F891-I974 HydrophobicContact CD1-CG1 3.6Å; F891-I974 HydrophobicContact CE1-CD1 3.68Å; F891-I974 HydrophobicContact CE1-CG1 3.75Å; F891-I974 HydrophobicContact CE1-CG2 4.12Å; F891-I974 HydrophobicContact CG-CD1 4.16Å
892	Q	91.3	Very high	88.2	Confident	86 Å²	86	40.4 Å²	40.4	40%	0.402	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-41.4	174.9	-72	179.8	-14.3	0	0	111.7	L888 C889 T895 G896 I974	L888-Q892 WeakPolarHBondContact O-CG 3.46Å; L888-Q892 PolarHBondContact O-N 3.15Å; C889-Q892 PolarHBondContact O-N 2.93Å; C889-Q892 VanDerWaalsContact O-N 3.1Å; Q892-T895 PolarHBondContact O-OG1 3.14Å; Q892-T895 VanDerWaalsContact O-OG1 3.11Å; Q892-G896 PolarHBondContact O-N 2.86Å; Q892-G896 VanDerWaalsContact O-N 3.12Å; Q892-I974 PolarHBondContact NE2-O 3.02Å
893	E	93	Very high	90	Very high	123 Å²	123	40.3 Å²	40.3	58%	0.575	25%	0.25	S	C	*	.	H	α-helix	trans	-63.5	-41.4	172.9	-70.7	175.9	-174.2	0	0	111.7	C889 G890 G896 S897	C889-E893 PolarHBondContact O-N 3.43Å; G890-E893 PolarHBondContact O-N 2.82Å; E893-G896 PolarHBondContact O-N 2.84Å; E893-S897 WeakPolarHBondContact O-CB 3.37Å; E893-S897 PolarHBondContact O-N 3.24Å; E893-S897 PolarHBondContact O-OG 2.93Å
894	W	95.1	Very high	91.5	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-53.4	178.6	-177.2	47.7	0	0	0	112	L780 F806 V810 V852 V855 A856 G890 F891 G896 S897 L898	L780-W894 HydrophobicContact CD2-CH2 4.14Å; L780-W894 HydrophobicContact CD2-CZ2 4.43Å; F806-W894 HydrophobicContact CB-CB 3.82Å; F806-W894 HydrophobicContact CB-CD2 4.08Å; F806-W894 HydrophobicContact CB-CG 3.63Å; F806-W894 HydrophobicContact CD1-CB 4.47Å; F806-W894 AromaticContact CD1-CD2 3.44Å; F806-W894 HydrophobicContact CD1-CD2 3.44Å; F806-W894 VanDerWaalsContact CD1-CD2 3.44Å; F806-W894 AromaticContact CD1-CE2 3.85Å; F806-W894 AromaticContact CD1-CE3 3.36Å; F806-W894 HydrophobicContact CD1-CE3 3.36Å; F806-W894 AromaticContact CD1-CG 3.94Å; F806-W894 HydrophobicContact CD1-CG 3.94Å; F806-W894 HydrophobicContact CD1-CH2 4.1Å; F806-W894 HydrophobicContact CD1-CZ2 4.18Å; F806-W894 AromaticContact CD1-CZ3 3.69Å; F806-W894 HydrophobicContact CD1-CZ3 3.69Å; F806-W894 HydrophobicContact CD2-CB 4.24Å; F806-W894 HydrophobicContact CE1-CD2 4.01Å; F806-W894 AromaticContact CE1-CE3 3.4Å; F806-W894 HydrophobicContact CE1-CE3 3.4Å; F806-W894 VanDerWaalsContact CE1-CE3 3.4Å; F806-W894 HydrophobicContact CE1-CH2 4.11Å; F806-W894 AromaticContact CE1-CZ3 3.44Å; F806-W894 HydrophobicContact CE1-CZ3 3.44Å; F806-W894 VanDerWaalsContact CE1-CZ3 3.44Å; F806-W894 HydrophobicContact CG-CB 3.96Å; F806-W894 AromaticContact CG-CD2 3.84Å; F806-W894 HydrophobicContact CG-CD2 3.84Å; F806-W894 HydrophobicContact CG-CE3 4.02Å; F806-W894 AromaticContact CG-CG 3.81Å; F806-W894 HydrophobicContact CG-CG 3.81Å; F806-W894 HydrophobicContact CZ-CE3 4.09Å; F806-W894 HydrophobicContact CZ-CZ3 4.32Å; F806-W894 PolarHBondContact O-NE1 3.17Å; V810-W894 VanDerWaalsContact CG2-CD1 3.42Å; V852-W894 HydrophobicContact CG1-CZ2 3.96Å; V855-W894 HydrophobicContact CG1-CH2 4.45Å; A856-W894 HydrophobicContact CB-CE3 4.45Å; A856-W894 HydrophobicContact CB-CH2 3.56Å; A856-W894 HydrophobicContact CB-CZ2 4.36Å; A856-W894 HydrophobicContact CB-CZ3 3.63Å; G890-W894 VanDerWaalsContact O-CB 3.24Å; G890-W894 WeakPolarHBondContact O-CB 3.37Å; G890-W894 PolarHBondContact O-N 3.48Å; F891-W894 AromaticContact CD2-CE3 3.58Å; F891-W894 HydrophobicContact CD2-CE3 3.58Å; F891-W894 AromaticContact CD2-CZ3 3.93Å; F891-W894 HydrophobicContact CD2-CZ3 3.93Å; F891-W894 AromaticContact CE2-CE3 3.68Å; F891-W894 HydrophobicContact CE2-CE3 3.68Å; F891-W894 AromaticContact CE2-CZ3 3.7Å; F891-W894 HydrophobicContact CE2-CZ3 3.7Å; F891-W894 PolarHBondContact O-N 3.04Å; W894-G896 VanDerWaalsContact C-N 3.31Å; W894-G896 PolarHBondContact O-N 3.23Å; W894-S897 CarbonylContact O-C 3.23Å; W894-S897 WeakPolarHBondContact O-CB 3.44Å; W894-S897 PolarHBondContact O-N 3.46Å; W894-S897 VanDerWaalsContact O-N 3.07Å; W894-L898 HydrophobicContact CD2-CD1 4.01Å; W894-L898 HydrophobicContact CG-CD1 4.43Å; W894-L898 HydrophobicContact CZ2-CD1 3.93Å; W894-L898 WeakPolarHBondContact O-CG 3.2Å; W894-L898 PolarHBondContact O-N 3.43Å
895	T	94.2	Very high	92.7	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.092	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-37.9	178.9	50	0	0	0	0	112.5	F891 Q892 Q899 L972	F891-T895 HydrophobicContact CD1-CG2 4.26Å; F891-T895 HydrophobicContact CD2-CG2 4.43Å; F891-T895 HydrophobicContact CE1-CG2 3.73Å; F891-T895 HydrophobicContact CE2-CG2 3.89Å; F891-T895 HydrophobicContact CZ-CG2 3.51Å; F891-T895 WeakPolarHBondContact O-CG2 3.48Å; F891-T895 PolarHBondContact O-N 3.36Å; F891-T895 PolarHBondContact O-OG1 3.21Å; Q892-T895 PolarHBondContact O-OG1 3.14Å; Q892-T895 VanDerWaalsContact O-OG1 3.11Å; T895-Q899 PolarHBondContact O-N 3.39Å; T895-L972 HydrophobicContact CG2-CB 4.2Å
896	G	93	Very high	93.4	Very high	40 Å²	40	37.8 Å²	37.8	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-41.2	171.9	0	0	0	0	0	112.9	Q892 E893 W894 Q899 G900	Q892-G896 PolarHBondContact O-N 2.86Å; Q892-G896 VanDerWaalsContact O-N 3.12Å; E893-G896 PolarHBondContact O-N 2.84Å; W894-G896 VanDerWaalsContact C-N 3.31Å; W894-G896 PolarHBondContact O-N 3.23Å; G896-Q899 PolarHBondContact O-N 3.41Å; G896-G900 PolarHBondContact O-N 2.91Å
897	S	95.4	Very high	93.9	Very high	53 Å²	53	37.8 Å²	37.8	37%	0.371	22%	0.218	S	C	.	.	H	α-helix	trans	-68.8	-40.1	177.5	-57.7	0	0	0	0	112.4	E893 W894 Q899 G900 V901	E893-S897 WeakPolarHBondContact O-CB 3.37Å; E893-S897 PolarHBondContact O-N 3.24Å; E893-S897 PolarHBondContact O-OG 2.93Å; W894-S897 CarbonylContact O-C 3.23Å; W894-S897 WeakPolarHBondContact O-CB 3.44Å; W894-S897 PolarHBondContact O-N 3.46Å; W894-S897 VanDerWaalsContact O-N 3.07Å; S897-Q899 VanDerWaalsContact C-N 3.33Å; S897-Q899 PolarHBondContact O-N 3.41Å; S897-G900 WeakPolarHBondContact O-CA 3.28Å; S897-G900 PolarHBondContact O-N 3.24Å; S897-G900 VanDerWaalsContact O-N 3.1Å; S897-V901 WeakPolarHBondContact O-CG2 3.02Å; S897-V901 PolarHBondContact O-N 2.91Å
898	L	95.4	Very high	94.2	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-44.8	172.7	-71.9	178.4	0	0	0	111.2	V810 L813 V852 A856 W894 G900 V901 V902 L969	V810-L898 HydrophobicContact CG2-CD2 4.1Å; V810-L898 HydrophobicContact CG2-CG 4.39Å; L813-L898 HydrophobicContact CD1-CD2 3.58Å; V852-L898 HydrophobicContact CG1-CD1 4.18Å; V852-L898 HydrophobicContact CG1-CD2 3.81Å; A856-L898 HydrophobicContact CB-CD1 4.25Å; W894-L898 HydrophobicContact CD2-CD1 4.01Å; W894-L898 HydrophobicContact CG-CD1 4.43Å; W894-L898 HydrophobicContact CZ2-CD1 3.93Å; W894-L898 WeakPolarHBondContact O-CG 3.2Å; W894-L898 PolarHBondContact O-N 3.43Å; L898-G900 VanDerWaalsContact C-N 3.27Å; L898-G900 PolarHBondContact O-N 3.49Å; L898-V901 PolarHBondContact O-N 3.5Å; L898-V902 WeakPolarHBondContact O-CG2 3.36Å; L898-V902 PolarHBondContact O-N 2.82Å; L898-L969 HydrophobicContact CB-CD2 4.13Å
899	Q	94.6	Very high	94.6	Very high	89 Å²	89	39.7 Å²	39.7	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-58.9	-40.4	174.1	-173.8	179.1	-1.2	0	0	111.7	T895 G896 S897 T903 L969	T895-Q899 PolarHBondContact O-N 3.39Å; G896-Q899 PolarHBondContact O-N 3.41Å; S897-Q899 VanDerWaalsContact C-N 3.33Å; S897-Q899 PolarHBondContact O-N 3.41Å; Q899-T903 WeakPolarHBondContact O-CB 3.33Å; Q899-T903 PolarHBondContact O-N 3.32Å; Q899-T903 PolarHBondContact O-OG1 3.24Å; Q899-L969 HydrophobicContact CB-CD1 4.33Å
900	G	94.7	Very high	94.9	Very high	30 Å²	30	42.2 Å²	42.2	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-49.3	174.1	0	0	0	0	0	112.7	G896 S897 L898 T903 Q904	G896-G900 PolarHBondContact O-N 2.91Å; S897-G900 WeakPolarHBondContact O-CA 3.28Å; S897-G900 PolarHBondContact O-N 3.24Å; S897-G900 VanDerWaalsContact O-N 3.1Å; L898-G900 VanDerWaalsContact C-N 3.27Å; L898-G900 PolarHBondContact O-N 3.49Å; G900-T903 PolarHBondContact O-N 3.48Å; G900-Q904 WeakPolarHBondContact O-CG 3.46Å; G900-Q904 PolarHBondContact O-N 2.91Å
901	V	96.4	Very high	95.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-43.9	-180	175.7	0	0	0	0	111.9	V810 L813 Q814 L817 F845 S897 L898 T903 Q904 A905	V810-V901 HydrophobicContact CG1-CG2 4.19Å; L813-V901 HydrophobicContact CB-CG1 4.11Å; Q814-V901 HydrophobicContact CG-CG2 3.59Å; L817-V901 HydrophobicContact CD2-CG1 4.31Å; F845-V901 HydrophobicContact CE2-CG1 4.05Å; F845-V901 HydrophobicContact CZ-CG1 3.92Å; S897-V901 WeakPolarHBondContact O-CG2 3.02Å; S897-V901 PolarHBondContact O-N 2.91Å; L898-V901 PolarHBondContact O-N 3.5Å; V901-T903 VanDerWaalsContact C-N 3.31Å; V901-T903 PolarHBondContact O-N 3.43Å; V901-Q904 PolarHBondContact O-N 3.41Å; V901-A905 PolarHBondContact O-N 3.43Å
902	V	95.6	Very high	95.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-38.2	176.9	173.2	0	0	0	0	111.4	V849 L898 A905 L906 A966 L969	V849-V902 HydrophobicContact CG1-CG2 3.9Å; L898-V902 WeakPolarHBondContact O-CG2 3.36Å; L898-V902 PolarHBondContact O-N 2.82Å; V902-A905 PolarHBondContact O-N 2.85Å; V902-L906 HydrophobicContact CG1-CD1 4.37Å; V902-L906 PolarHBondContact O-N 2.93Å; V902-A966 HydrophobicContact CG1-CB 3.8Å; V902-L969 HydrophobicContact CB-CD1 4.39Å; V902-L969 HydrophobicContact CG2-CD1 4.12Å
903	T	95.8	Very high	95.3	Very high	62 Å²	62	42.4 Å²	42.4	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-44.6	176.6	-54.7	0	0	0	0	111.1	Q899 G900 V901 A905 L906 D907	Q899-T903 WeakPolarHBondContact O-CB 3.33Å; Q899-T903 PolarHBondContact O-N 3.32Å; Q899-T903 PolarHBondContact O-OG1 3.24Å; G900-T903 PolarHBondContact O-N 3.48Å; V901-T903 VanDerWaalsContact C-N 3.31Å; V901-T903 PolarHBondContact O-N 3.43Å; T903-A905 VanDerWaalsContact C-N 3.29Å; T903-A905 PolarHBondContact O-N 3.32Å; T903-L906 WeakPolarHBondContact O-CB 3.15Å; T903-L906 PolarHBondContact O-N 2.99Å; T903-D907 PolarHBondContact O-N 3.47Å
904	Q	96.3	Very high	95.3	Very high	107 Å²	107	39.6 Å²	39.6	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-39.9	175	-71.2	172.7	13.5	0	0	112.2	L817 G900 V901 D907 H908	L817-Q904 HydrophobicContact CD2-CB 3.79Å; G900-Q904 WeakPolarHBondContact O-CG 3.46Å; G900-Q904 PolarHBondContact O-N 2.91Å; V901-Q904 PolarHBondContact O-N 3.41Å; Q904-D907 PolarHBondContact O-N 3.37Å; Q904-H908 WeakPolarHBondContact O-CB 3.31Å; Q904-H908 PolarHBondContact O-N 3.33Å
905	A	96.6	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-43.1	175.7	0	0	0	0	0	112.3	L817 F845 V901 V902 T903 D907 H908 V909 L962	L817-A905 HydrophobicContact CD1-CB 3.83Å; L817-A905 HydrophobicContact CD2-CB 4.23Å; F845-A905 HydrophobicContact CD1-CB 4.35Å; F845-A905 HydrophobicContact CE1-CB 3.36Å; F845-A905 HydrophobicContact CZ-CB 3.75Å; V901-A905 PolarHBondContact O-N 3.43Å; V902-A905 PolarHBondContact O-N 2.85Å; T903-A905 VanDerWaalsContact C-N 3.29Å; T903-A905 PolarHBondContact O-N 3.32Å; A905-D907 VanDerWaalsContact C-N 3.32Å; A905-D907 PolarHBondContact O-N 3.15Å; A905-H908 WeakPolarHBondContact O-CB 3.43Å; A905-H908 PolarHBondContact O-N 3.35Å; A905-V909 WeakPolarHBondContact O-CG2 3.47Å; A905-V909 PolarHBondContact O-N 3.39Å; A905-L962 HydrophobicContact CB-CD1 4.17Å
906	L	96.6	Very high	94.8	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-41.2	174.6	-79.7	168.4	0	0	0	112.4	V902 T903 V909 K910 G959 L962 R963 A966	V902-L906 HydrophobicContact CG1-CD1 4.37Å; V902-L906 PolarHBondContact O-N 2.93Å; T903-L906 WeakPolarHBondContact O-CB 3.15Å; T903-L906 PolarHBondContact O-N 2.99Å; L906-V909 PolarHBondContact O-N 3.46Å; L906-K910 WeakPolarHBondContact O-CG 3.49Å; L906-K910 PolarHBondContact O-N 3.15Å; L906-G959 WeakPolarHBondContact CD2-O 3.45Å; L906-L962 HydrophobicContact CD2-CB 3.57Å; L906-L962 HydrophobicContact CG-CB 4.02Å; L906-R963 HydrophobicContact CD2-CB 4.35Å; L906-A966 HydrophobicContact CD1-CB 4.13Å
907	D	96.1	Very high	94.6	Very high	92 Å²	92	43.1 Å²	43.1	49%	0.492	26%	0.255	S	S	.	.	H	α-helix	trans	-68.5	-37.6	177.4	-68	-23.3	0	0	0	111.5	T903 Q904 A905 G911	T903-D907 PolarHBondContact O-N 3.47Å; Q904-D907 PolarHBondContact O-N 3.37Å; A905-D907 VanDerWaalsContact C-N 3.32Å; A905-D907 PolarHBondContact O-N 3.15Å; D907-G911 PolarHBondContact O-N 2.93Å
908	H	95.9	Very high	94.2	Very high	41 Å²	41	44.1 Å²	44.1	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-48.5	172.6	176.3	70	0	0	0	111.8	C820 Q904 A905 K910 G911 Q912	C820-H908 PolarHBondContact O-CE1 2.8Å; C820-H908 PolarHBondContact O-NE2 3.01Å; Q904-H908 WeakPolarHBondContact O-CB 3.31Å; Q904-H908 PolarHBondContact O-N 3.33Å; A905-H908 WeakPolarHBondContact O-CB 3.43Å; A905-H908 PolarHBondContact O-N 3.35Å; H908-K910 PolarHBondContact O-N 3.03Å; H908-G911 PolarHBondContact O-N 3.4Å; H908-G911 VanDerWaalsContact O-N 3.16Å; H908-Q912 WeakPolarHBondContact O-CG 3.41Å; H908-Q912 PolarHBondContact O-N 3.26Å
909	V	96.3	Very high	93.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-48.7	177.7	172.5	0	0	0	0	111.2	L842 A905 L906 G911 Q912 E913 L955 L962	L842-V909 HydrophobicContact CD1-CG2 4.32Å; L842-V909 HydrophobicContact CD2-CG2 3.9Å; A905-V909 WeakPolarHBondContact O-CG2 3.47Å; A905-V909 PolarHBondContact O-N 3.39Å; L906-V909 PolarHBondContact O-N 3.46Å; V909-G911 VanDerWaalsContact C-N 3.26Å; V909-G911 PolarHBondContact O-N 2.98Å; V909-Q912 WeakPolarHBondContact O-CB 3.22Å; V909-Q912 PolarHBondContact O-N 3.04Å; V909-Q912 VanDerWaalsContact O-N 3.1Å; V909-E913 HydrophobicContact CG1-CG 4.49Å; V909-E913 WeakPolarHBondContact O-CG 3.27Å; V909-E913 PolarHBondContact O-N 3.32Å; V909-L955 HydrophobicContact CG1-CB 4.2Å; V909-L955 HydrophobicContact CG1-CD2 4.26Å; V909-L955 WeakPolarHBondContact CG1-O 3.44Å; V909-L962 HydrophobicContact CG2-CD1 4.25Å
910	K	95.7	Very high	92.8	Very high	101 Å²	101	49.6 Å²	49.6	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-37.1	176.1	-72.2	172.8	-174.4	169.1	0	112.7	L906 H908 E913 A914	L906-K910 WeakPolarHBondContact O-CG 3.49Å; L906-K910 PolarHBondContact O-N 3.15Å; H908-K910 PolarHBondContact O-N 3.03Å; K910-E913 PolarHBondContact O-N 3.47Å; K910-A914 WeakPolarHBondContact O-CB 3.37Å; K910-A914 PolarHBondContact O-N 3.12Å
911	G	94.9	Very high	91.8	Very high	40 Å²	40	48.4 Å²	48.4	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.5	0	0	0	0	0	112.2	D907 H908 V909 A914 S915	D907-G911 PolarHBondContact O-N 2.93Å; H908-G911 PolarHBondContact O-N 3.4Å; H908-G911 VanDerWaalsContact O-N 3.16Å; V909-G911 VanDerWaalsContact C-N 3.26Å; V909-G911 PolarHBondContact O-N 2.98Å; G911-A914 PolarHBondContact O-N 3.03Å; G911-S915 WeakPolarHBondContact O-CB 3.37Å; G911-S915 PolarHBondContact O-N 3.02Å
912	Q	94.3	Very high	90.1	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-46.7	174.3	-63.5	-62.3	-53.5	0	0	111.5	G822 H908 V909 A914 S915 L916 L955	G822-Q912 PolarHBondContact O-NE2 3.09Å; H908-Q912 WeakPolarHBondContact O-CG 3.41Å; H908-Q912 PolarHBondContact O-N 3.26Å; V909-Q912 WeakPolarHBondContact O-CB 3.22Å; V909-Q912 PolarHBondContact O-N 3.04Å; V909-Q912 VanDerWaalsContact O-N 3.1Å; Q912-A914 VanDerWaalsContact C-N 3.32Å; Q912-A914 PolarHBondContact O-N 3.02Å; Q912-S915 PolarHBondContact O-N 2.67Å; Q912-L916 WeakPolarHBondContact O-CB 3.5Å; Q912-L916 WeakPolarHBondContact O-CG 3.32Å; Q912-L916 PolarHBondContact O-N 2.89Å; Q912-L955 HydrophobicContact CB-CD1 3.6Å; Q912-L955 HydrophobicContact CB-CD2 4.19Å
913	E	94.6	Very high	88	Confident	45 Å²	45	55.8 Å²	55.8	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-57.5	-44.1	177.9	-69.6	175.5	177.3	0	0	112.1	V909 K910 T917 L952 L955	V909-E913 HydrophobicContact CG1-CG 4.49Å; V909-E913 WeakPolarHBondContact O-CG 3.27Å; V909-E913 PolarHBondContact O-N 3.32Å; K910-E913 PolarHBondContact O-N 3.47Å; E913-T917 WeakPolarHBondContact O-CB 3.42Å; E913-T917 PolarHBondContact O-N 3.41Å; E913-T917 PolarHBondContact O-OG1 3.08Å; E913-L952 HydrophobicContact CB-CD1 4.11Å; E913-L952 HydrophobicContact CG-CD1 4.12Å; E913-L955 HydrophobicContact CG-CB 3.89Å; E913-L955 HydrophobicContact CG-CD1 4.43Å
914	A	93	Very high	86.3	Confident	63 Å²	63	54.6 Å²	54.6	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-42.8	178	0	0	0	0	0	112	K910 G911 Q912 T917 A918	K910-A914 WeakPolarHBondContact O-CB 3.37Å; K910-A914 PolarHBondContact O-N 3.12Å; G911-A914 PolarHBondContact O-N 3.03Å; Q912-A914 VanDerWaalsContact C-N 3.32Å; Q912-A914 PolarHBondContact O-N 3.02Å; A914-T917 PolarHBondContact O-N 3.36Å; A914-A918 WeakPolarHBondContact O-CB 3.37Å; A914-A918 PolarHBondContact O-N 2.86Å; A914-A918 VanDerWaalsContact O-N 3.08Å
915	S	90.3	Very high	84.3	Confident	36 Å²	36	55.6 Å²	55.6	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-48.7	176.1	-172.4	0	0	0	0	111.2	G911 Q912 T917 A918 L919	G911-S915 WeakPolarHBondContact O-CB 3.37Å; G911-S915 PolarHBondContact O-N 3.02Å; Q912-S915 PolarHBondContact O-N 2.67Å; S915-T917 PolarHBondContact O-N 3.32Å; S915-A918 WeakPolarHBondContact O-CB 3.48Å; S915-A918 PolarHBondContact O-N 3.29Å; S915-A918 VanDerWaalsContact O-N 3.12Å; S915-L919 PolarHBondContact O-N 3.41Å
916	L	90.2	Very high	82.5	Confident	3 Å²	3	57 Å²	57	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-44.9	176.5	-72.1	177.4	0	0	0	112	V824 L825 Q912 A918 L919 Q948 L955	V824-L916 HydrophobicContact CG2-CD1 4.11Å; V824-L916 HydrophobicContact CG2-CD2 4.32Å; V824-L916 HydrophobicContact CG2-CG 4.45Å; L825-L916 HydrophobicContact CB-CD2 3.44Å; L825-L916 VanDerWaalsContact CB-CD2 3.44Å; L825-L916 HydrophobicContact CD2-CD2 3.62Å; L825-L916 HydrophobicContact CG-CD2 4.15Å; Q912-L916 WeakPolarHBondContact O-CB 3.5Å; Q912-L916 WeakPolarHBondContact O-CG 3.32Å; Q912-L916 PolarHBondContact O-N 2.89Å; L916-A918 PolarHBondContact O-N 3.35Å; L916-L919 HydrophobicContact CD2-CD1 4.14Å; L916-L919 WeakPolarHBondContact O-CB 3.47Å; L916-L919 PolarHBondContact O-N 2.89Å; L916-Q948 PolarHBondContact O-NE2 3.22Å; L916-L955 HydrophobicContact CD1-CD1 3.41Å; L916-L955 VanDerWaalsContact CD1-CD1 3.41Å
917	T	88.3	Confident	80.2	Confident	98 Å²	98	62.9 Å²	62.9	60%	0.601	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-27.9	179.8	-54.5	0	0	0	0	112.1	E913 A914 S915	E913-T917 WeakPolarHBondContact O-CB 3.42Å; E913-T917 PolarHBondContact O-N 3.41Å; E913-T917 PolarHBondContact O-OG1 3.08Å; A914-T917 PolarHBondContact O-N 3.36Å; S915-T917 PolarHBondContact O-N 3.32Å
918	A	86.8	Confident	77.8	Confident	74 Å²	74	67.6 Å²	67.6	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-77.5	-21.7	177.6	0	0	0	0	0	113.5	A914 S915 L916 K920	A914-A918 WeakPolarHBondContact O-CB 3.37Å; A914-A918 PolarHBondContact O-N 2.86Å; A914-A918 VanDerWaalsContact O-N 3.08Å; S915-A918 WeakPolarHBondContact O-CB 3.48Å; S915-A918 PolarHBondContact O-N 3.29Å; S915-A918 VanDerWaalsContact O-N 3.12Å; L916-A918 PolarHBondContact O-N 3.35Å; A918-K920 PolarHBondContact O-N 3.31Å
919	L	84.3	Confident	75.3	Confident	34 Å²	34	68 Å²	68	18%	0.178	41%	0.411	C	S	.	.			trans	-66.9	115.4	177.3	-73.2	168.4	0	0	0	110.8	L825 M827 S915 L916 Q948	L825-L919 HydrophobicContact CB-CD1 4.46Å; L825-L919 HydrophobicContact CD2-CD1 3.87Å; L825-L919 HydrophobicContact CG-CD1 4.2Å; M827-L919 HydrophobicContact CB-CD2 3.66Å; M827-L919 HydrophobicContact CG-CD2 4.38Å; S915-L919 PolarHBondContact O-N 3.41Å; L916-L919 HydrophobicContact CD2-CD1 4.14Å; L916-L919 WeakPolarHBondContact O-CB 3.47Å; L916-L919 PolarHBondContact O-N 2.89Å; L919-Q948 PolarHBondContact O-NE2 3.48Å
920	K	77.1	Confident	73	Confident	174 Å²	174	74 Å²	74	76%	0.757	43%	0.434	S	S	*	.			trans	-99.3	81.4	176.3	-68.1	-176.6	179.8	179.8	0	110.6	A918 A922 A923	A918-K920 PolarHBondContact O-N 3.31Å; K920-A922 PolarHBondContact O-N 2.89Å; K920-A923 PolarHBondContact O-N 3.12Å
921	L	73.7	Confident	70.9	Confident	5 Å²	5	73 Å²	73	3%	0.026	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-64.8	-27.6	-178	-58.7	-178.7	0	0	0	113	L832 A923 L924 M944 Q948	L832-L921 HydrophobicContact CD1-CD2 3.92Å; L832-L921 HydrophobicContact CD2-CD1 4.23Å; L832-L921 HydrophobicContact CD2-CD2 4.01Å; L921-A923 PolarHBondContact O-N 3.32Å; L921-A923 VanDerWaalsContact O-N 3.1Å; L921-L924 HydrophobicContact CB-CD1 4.25Å; L921-L924 HydrophobicContact CD2-CD1 3.65Å; L921-L924 WeakPolarHBondContact O-CB 3.47Å; L921-L924 WeakPolarHBondContact O-CG 3.33Å; L921-L924 PolarHBondContact O-N 3.44Å; L921-L924 VanDerWaalsContact O-N 3.1Å; L921-M944 HydrophobicContact CD1-CB 4.06Å; L921-Q948 HydrophobicContact CD1-CB 3.75Å; L921-Q948 HydrophobicContact CD1-CG 4.23Å
922	A	60.2	Low	69.2	Low	80 Å²	80	73 Å²	73	66%	0.661	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17.4	175	0	0	0	0	0	114.8	K920	K920-A922 PolarHBondContact O-N 2.89Å
923	A	52	Low	67.7	Low	81 Å²	81	75.3 Å²	75.3	67%	0.669	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-95.3	1	178.9	0	0	0	0	0	113.5	K920 L921 T925	K920-A923 PolarHBondContact O-N 3.12Å; L921-A923 PolarHBondContact O-N 3.32Å; L921-A923 VanDerWaalsContact O-N 3.1Å; A923-T925 PolarHBondContact O-N 3.5Å
924	L	59.8	Low	66.4	Low	37 Å²	37	81.5 Å²	81.5	19%	0.194	47%	0.474	C	S	.	.			trans	-73.8	116.6	178.7	-68.1	170.9	0	0	0	110.7	M827 L921 L926 M944	M827-L924 HydrophobicContact CE-CD1 4.15Å; M827-L924 HydrophobicContact CE-CD2 3.37Å; M827-L924 HydrophobicContact CE-CG 4.42Å; M827-L924 HydrophobicContact SD-CD1 3.85Å; M827-L924 HydrophobicContact SD-CD2 3.7Å; M827-L924 HydrophobicContact SD-CG 4.4Å; L921-L924 HydrophobicContact CB-CD1 4.25Å; L921-L924 HydrophobicContact CD2-CD1 3.65Å; L921-L924 WeakPolarHBondContact O-CB 3.47Å; L921-L924 WeakPolarHBondContact O-CG 3.33Å; L921-L924 PolarHBondContact O-N 3.44Å; L921-L924 VanDerWaalsContact O-N 3.1Å; L924-L926 PolarHBondContact O-N 2.89Å; L924-M944 HydrophobicContact CD1-SD 4.39Å
925	T	53.6	Low	65.5	Low	128 Å²	128	84.3 Å²	84.3	79%	0.785	48%	0.476	S	S	*	.			trans	-73.6	101.8	157.5	41.4	0	0	0	0	107.5	A923 E927	A923-T925 PolarHBondContact O-N 3.5Å; T925-E927 PolarHBondContact O-N 3.35Å
926	L	58.1	Low	64.7	Low	28 Å²	28	82.9 Å²	82.9	15%	0.147	47%	0.466	C	S	.	.			trans	-59.3	123.1	163.2	-62.9	169.2	0	0	0	106.1	L924 E928 C937 T940 R941 M944	L924-L926 PolarHBondContact O-N 2.89Å; L926-E928 PolarHBondContact O-N 3.08Å; L926-E928 VanDerWaalsContact O-N 3.13Å; L926-C937 HydrophobicContact CD1-CB 4.08Å; L926-T940 HydrophobicContact CD1-CG2 3.89Å; L926-T940 HydrophobicContact CD2-CG2 4.41Å; L926-R941 HydrophobicContact CD1-CG 4.39Å; L926-M944 HydrophobicContact CD2-CE 3.79Å; L926-M944 HydrophobicContact CD2-SD 4.41Å
927	E	49.7	Very low	64.3	Low	143 Å²	143	83.9 Å²	83.9	67%	0.668	47%	0.473	S	S	*	.			trans	-50.7	123.5	178.7	-72.4	-177.5	153.6	0	0	108.9	T925 G929	T925-E927 PolarHBondContact O-N 3.35Å; E927-G929 PolarHBondContact O-N 3Å
928	E	44.8	Very low	64.3	Low	192 Å²	192	80.6 Å²	80.6	90%	0.897	46%	0.458	S	S	*	.			trans	-65.3	20.8	-179.2	-66.8	179.6	159.2	0	0	113.4	L926 Y930	L926-E928 PolarHBondContact O-N 3.08Å; L926-E928 VanDerWaalsContact O-N 3.13Å; E928-Y930 VanDerWaalsContact C-N 3.32Å; E928-Y930 PolarHBondContact O-N 2.99Å
929	G	43.2	Very low	64.5	Low	49 Å²	49	79.2 Å²	79.2	51%	0.505	44%	0.438	S	S	.	.			trans	-71.9	-12.4	-161.9	0	0	0	0	0	116.3	E927	E927-G929 PolarHBondContact O-N 3Å
930	Y	48.8	Very low	64.8	Low	126 Å²	126	77.6 Å²	77.6	49%	0.494	43%	0.43	S	S	.	.	S	Bend	trans	-147.2	78.9	-174.5	-56.6	-76.3	0	0	0	111.9	L437 E928 Q932	L437-Y930 HydrophobicContact CD1-CD1 4.25Å; L437-Y930 HydrophobicContact CD1-CE1 3.8Å; E928-Y930 VanDerWaalsContact C-N 3.32Å; E928-Y930 PolarHBondContact O-N 2.99Å; Y930-Q932 VanDerWaalsContact C-N 3.27Å; Y930-Q932 WeakPolarHBondContact O-CG 3.32Å; Y930-Q932 PolarHBondContact O-N 3.33Å
931	S	50.7	Low	65.3	Low	82 Å²	82	73.3 Å²	73.3	57%	0.573	41%	0.409	S	S	*	.			trans	39.2	50	163.4	61.7	0	0	0	0	114.8	T441	T441-S931 PolarHBondContact OG1-OG 3.3Å
932	Q	58.8	Low	66.2	Low	38 Å²	38	75.1 Å²	75.1	18%	0.178	43%	0.425	C	S	.	.			trans	-98	136.5	-179.5	-85	166.3	39.1	0	0	110.3	Y930 E936 C937	Y930-Q932 VanDerWaalsContact C-N 3.27Å; Y930-Q932 WeakPolarHBondContact O-CG 3.32Å; Y930-Q932 PolarHBondContact O-N 3.33Å; Q932-E936 WeakPolarHBondContact CA-OE2 3.42Å; Q932-C937 PolarHBondContact OE1-SG 3.24Å
933	T	64.2	Low	67.7	Low	66 Å²	66	71.3 Å²	71.3	41%	0.405	39%	0.393	S	S	.	.			trans	-79.3	154.6	171.6	71.5	0	0	0	0	110.1	E935 E936 C937	T933-E935 PolarHBondContact O-N 3.13Å; T933-E935 VanDerWaalsContact O-N 3.14Å; T933-E936 PolarHBondContact N-OE2 3.32Å; T933-E936 VanDerWaalsContact N-OE2 3.14Å; T933-E936 PolarHBondContact O-N 3.13Å; T933-E936 VanDerWaalsContact OG1-CG 3.28Å; T933-E936 WeakPolarHBondContact OG1-CG 3.34Å; T933-E936 PolarHBondContact OG1-N 3.24Å; T933-C937 PolarHBondContact O-N 3.24Å; T933-C937 VanDerWaalsContact O-N 3.16Å
934	Q	66.5	Low	69.6	Low	175 Å²	175	67.7 Å²	67.7	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.7	177.8	-170.2	175.9	6.5	0	0	112.7	G938	Q934-G938 PolarHBondContact O-N 3.12Å
935	E	74.2	Confident	71.1	Confident	121 Å²	121	68.9 Å²	68.9	57%	0.565	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-44.2	177.4	-167.3	167.7	-169.5	0	0	111.7	T933 C937 G938 F939	T933-E935 PolarHBondContact O-N 3.13Å; T933-E935 VanDerWaalsContact O-N 3.14Å; E935-C937 PolarHBondContact O-N 3.1Å; E935-G938 VanDerWaalsContact O-CA 3.32Å; E935-G938 WeakPolarHBondContact O-CA 3.31Å; E935-G938 PolarHBondContact O-N 2.92Å; E935-F939 HydrophobicContact CG-CE2 3.96Å; E935-F939 WeakPolarHBondContact O-CD2 3.33Å; E935-F939 PolarHBondContact O-N 2.93Å
936	E	74.6	Confident	73.1	Confident	7 Å²	7	66.4 Å²	66.4	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-45	173.5	-73.2	171.1	173.4	0	0	111.9	K444 H448 Q932 T933 G938 F939 T940	K444-E936 WeakPolarHBondContact CE-OE1 3.22Å; K444-E936 IonicContact NZ-OE1 2.86Å; K444-E936 PolarHBondContact NZ-OE1 3.32Å; K444-E936 IonicContact NZ-OE2 2.69Å; K444-E936 PolarHBondContact NZ-OE2 3.25Å; H448-E936 IonicContact CE1-OE1 2.69Å; H448-E936 PolarHBondContact CE1-OE1 2.91Å; H448-E936 IonicContact NE2-OE1 3.85Å; Q932-E936 WeakPolarHBondContact CA-OE2 3.42Å; T933-E936 PolarHBondContact N-OE2 3.32Å; T933-E936 VanDerWaalsContact N-OE2 3.14Å; T933-E936 PolarHBondContact O-N 3.13Å; T933-E936 VanDerWaalsContact OG1-CG 3.28Å; T933-E936 WeakPolarHBondContact OG1-CG 3.34Å; T933-E936 PolarHBondContact OG1-N 3.24Å; E936-G938 PolarHBondContact O-N 3.44Å; E936-G938 VanDerWaalsContact O-N 3.14Å; E936-F939 PolarHBondContact O-N 3.34Å; E936-F939 VanDerWaalsContact O-N 3.11Å; E936-T940 PolarHBondContact O-N 3.14Å; E936-T940 PolarHBondContact O-OG1 3.27Å
937	C	81.6	Confident	74.9	Confident	24 Å²	24	65 Å²	65	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-25.4	174.2	-63	0	0	0	0	112.3	L926 Q932 T933 E935 R941	L926-C937 HydrophobicContact CD1-CB 4.08Å; Q932-C937 PolarHBondContact OE1-SG 3.24Å; T933-C937 PolarHBondContact O-N 3.24Å; T933-C937 VanDerWaalsContact O-N 3.16Å; E935-C937 PolarHBondContact O-N 3.1Å; C937-R941 WeakPolarHBondContact O-CG 3.2Å; C937-R941 PolarHBondContact O-N 3.03Å; C937-R941 PolarHBondContact O-NE 3.49Å
938	G	87.4	Confident	77	Confident	29 Å²	29	59.6 Å²	59.6	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-69.9	-46.6	173.9	0	0	0	0	0	112.4	Q934 E935 E936 R941 A942	Q934-G938 PolarHBondContact O-N 3.12Å; E935-G938 VanDerWaalsContact O-CA 3.32Å; E935-G938 WeakPolarHBondContact O-CA 3.31Å; E935-G938 PolarHBondContact O-N 2.92Å; E936-G938 PolarHBondContact O-N 3.44Å; E936-G938 VanDerWaalsContact O-N 3.14Å; G938-R941 PolarHBondContact O-N 3.23Å; G938-A942 PolarHBondContact O-N 3.29Å
939	F	91.4	Very high	79.4	Confident	44 Å²	44	53.4 Å²	53.4	19%	0.193	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-42.6	176.9	-71.9	-70.1	0	0	0	112.4	G494 E497 E498 E935 E936 R941 A942 A943	G494-F939 WeakPolarHBondContact O-CB 3.31Å; E497-F939 HydrophobicContact CB-CB 4.26Å; E497-F939 HydrophobicContact CB-CD1 4.04Å; E497-F939 HydrophobicContact CB-CG 4.49Å; E498-F939 HydrophobicContact CB-CD2 3.62Å; E498-F939 HydrophobicContact CB-CE2 3.75Å; E498-F939 HydrophobicContact CB-CG 4.08Å; E498-F939 HydrophobicContact CB-CZ 4.32Å; E498-F939 HydrophobicContact CG-CD2 4.04Å; E498-F939 HydrophobicContact CG-CE2 3.76Å; E498-F939 HydrophobicContact CG-CZ 4.43Å; E935-F939 HydrophobicContact CG-CE2 3.96Å; E935-F939 WeakPolarHBondContact O-CD2 3.33Å; E935-F939 PolarHBondContact O-N 2.93Å; E936-F939 PolarHBondContact O-N 3.34Å; E936-F939 VanDerWaalsContact O-N 3.11Å; F939-R941 VanDerWaalsContact C-N 3.35Å; F939-R941 PolarHBondContact O-N 2.53Å; F939-A942 PolarHBondContact O-N 3.48Å; F939-A943 PolarHBondContact O-N 3.26Å
940	T	90.4	Very high	82	Confident	1 Å²	1	51 Å²	51	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-44.2	175.3	-59.6	0	0	0	0	111.8	W490 L926 E936 A943 M944	W490-T940 HydrophobicContact CB-CG2 4Å; L926-T940 HydrophobicContact CD1-CG2 3.89Å; L926-T940 HydrophobicContact CD2-CG2 4.41Å; E936-T940 PolarHBondContact O-N 3.14Å; E936-T940 PolarHBondContact O-OG1 3.27Å; T940-A943 WeakPolarHBondContact O-CB 3.49Å; T940-A943 PolarHBondContact O-N 3.22Å; T940-M944 HydrophobicContact CG2-CE 3.99Å; T940-M944 WeakPolarHBondContact O-CG 3.34Å; T940-M944 PolarHBondContact O-N 2.64Å
941	R	88.6	Confident	84.3	Confident	84 Å²	84	45 Å²	45	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-43.8	176	-81.5	177.8	-77.9	151.7	-6.1	112.2	L926 C937 G938 F939 A943 M944 D945	L926-R941 HydrophobicContact CD1-CG 4.39Å; C937-R941 WeakPolarHBondContact O-CG 3.2Å; C937-R941 PolarHBondContact O-N 3.03Å; C937-R941 PolarHBondContact O-NE 3.49Å; G938-R941 PolarHBondContact O-N 3.23Å; F939-R941 VanDerWaalsContact C-N 3.35Å; F939-R941 PolarHBondContact O-N 2.53Å; R941-A943 VanDerWaalsContact C-N 3.28Å; R941-A943 PolarHBondContact O-N 2.96Å; R941-M944 WeakPolarHBondContact O-CB 3.47Å; R941-M944 PolarHBondContact O-N 2.81Å; R941-M944 VanDerWaalsContact O-N 3.16Å; R941-D945 PolarHBondContact O-N 3.44Å
942	A	90.8	Very high	86.5	Confident	42 Å²	42	43.2 Å²	43.2	35%	0.347	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-38.3	175.7	0	0	0	0	0	112.1	G938 F939 D945 K946	G938-A942 PolarHBondContact O-N 3.29Å; F939-A942 PolarHBondContact O-N 3.48Å; A942-D945 PolarHBondContact O-N 3.24Å; A942-K946 WeakPolarHBondContact O-CG 3.29Å; A942-K946 PolarHBondContact O-N 2.99Å
943	A	92.4	Very high	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-40.4	174.9	0	0	0	0	0	112.3	L493 F939 T940 R941 K946 V947	L493-A943 HydrophobicContact CB-CB 3.89Å; L493-A943 HydrophobicContact CD1-CB 4.16Å; F939-A943 PolarHBondContact O-N 3.26Å; T940-A943 WeakPolarHBondContact O-CB 3.49Å; T940-A943 PolarHBondContact O-N 3.22Å; R941-A943 VanDerWaalsContact C-N 3.28Å; R941-A943 PolarHBondContact O-N 2.96Å; A943-K946 WeakPolarHBondContact O-CB 3.44Å; A943-K946 PolarHBondContact O-N 3.42Å; A943-V947 WeakPolarHBondContact O-CG2 3.42Å; A943-V947 PolarHBondContact O-N 3.42Å; A943-V947 VanDerWaalsContact O-N 3.07Å
944	M	92.2	Very high	89.9	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.9	-68.7	177.2	170.3	0	0	112	W490 L832 L921 L924 L926 T940 R941 K946 V947 Q948	W490-M944 HydrophobicContact CB-CE 3.79Å; W490-M944 HydrophobicContact CD2-CE 3.72Å; W490-M944 HydrophobicContact CD2-CG 3.96Å; W490-M944 HydrophobicContact CE3-CE 4.23Å; W490-M944 HydrophobicContact CE3-CG 3.54Å; W490-M944 HydrophobicContact CG-CE 3.49Å; W490-M944 VanDerWaalsContact CG-CE 3.49Å; W490-M944 HydrophobicContact CH2-CG 4.29Å; W490-M944 HydrophobicContact CZ3-CB 4.29Å; W490-M944 HydrophobicContact CZ3-CG 3.73Å; L832-M944 HydrophobicContact CD2-CB 4.13Å; L832-M944 HydrophobicContact CD2-CG 3.99Å; L832-M944 HydrophobicContact CD2-SD 4.21Å; L921-M944 HydrophobicContact CD1-CB 4.06Å; L924-M944 HydrophobicContact CD1-SD 4.39Å; L926-M944 HydrophobicContact CD2-CE 3.79Å; L926-M944 HydrophobicContact CD2-SD 4.41Å; T940-M944 HydrophobicContact CG2-CE 3.99Å; T940-M944 WeakPolarHBondContact O-CG 3.34Å; T940-M944 PolarHBondContact O-N 2.64Å; R941-M944 WeakPolarHBondContact O-CB 3.47Å; R941-M944 PolarHBondContact O-N 2.81Å; R941-M944 VanDerWaalsContact O-N 3.16Å; M944-K946 VanDerWaalsContact C-N 3.32Å; M944-K946 PolarHBondContact O-N 3.42Å; M944-V947 PolarHBondContact O-N 3Å; M944-V947 VanDerWaalsContact O-N 3.15Å; M944-Q948 PolarHBondContact O-N 2.83Å
945	D	92	Very high	91.4	Very high	62 Å²	62	30.5 Å²	30.5	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-62.4	-38.9	176.9	-70.4	-21.5	0	0	0	112	R941 A942 Q948 S949	R941-D945 PolarHBondContact O-N 3.44Å; A942-D945 PolarHBondContact O-N 3.24Å; D945-Q948 PolarHBondContact O-N 3.18Å; D945-S949 WeakPolarHBondContact O-CB 3.17Å; D945-S949 PolarHBondContact O-N 3.42Å; D945-S949 PolarHBondContact O-OG 3.03Å
946	K	95.1	Very high	92.5	Very high	76 Å²	76	29.1 Å²	29.1	33%	0.33	16%	0.162	S	C	.	.	H	α-helix	trans	-61.1	-42.8	173.2	-77.4	178.8	-168.1	-178	0	111.7	E497 F517 P525 A942 A943 M944 S950	E497-K946 IonicContact OE1-NZ 2.63Å; E497-K946 PolarHBondContact OE1-NZ 2.85Å; E497-K946 IonicContact OE2-NZ 3.39Å; E497-K946 PolarHBondContact OE2-NZ 3.14Å; F517-K946 HydrophobicContact CE1-CB 4.49Å; F517-K946 HydrophobicContact CZ-CD 4.18Å; P525-K946 HydrophobicContact CB-CD 4.34Å; P525-K946 HydrophobicContact CG-CB 3.78Å; P525-K946 HydrophobicContact CG-CD 4.33Å; P525-K946 HydrophobicContact CG-CG 4.34Å; A942-K946 WeakPolarHBondContact O-CG 3.29Å; A942-K946 PolarHBondContact O-N 2.99Å; A943-K946 WeakPolarHBondContact O-CB 3.44Å; A943-K946 PolarHBondContact O-N 3.42Å; M944-K946 VanDerWaalsContact C-N 3.32Å; M944-K946 PolarHBondContact O-N 3.42Å; K946-S950 WeakPolarHBondContact O-CB 3.43Å; K946-S950 PolarHBondContact O-N 3.15Å
947	V	95.4	Very high	93.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-51.3	176.9	172	0	0	0	0	110.7	W490 F517 L520 A522 T834 A943 M944 S949 S950 Y951	W490-V947 HydrophobicContact CH2-CB 3.99Å; W490-V947 HydrophobicContact CH2-CG1 3.99Å; W490-V947 HydrophobicContact CH2-CG2 3.89Å; W490-V947 HydrophobicContact CZ3-CB 4.22Å; W490-V947 HydrophobicContact CZ3-CG2 3.76Å; F517-V947 HydrophobicContact CD1-CG2 3.93Å; F517-V947 HydrophobicContact CE1-CG2 4Å; L520-V947 HydrophobicContact CD1-CG2 4.17Å; A522-V947 HydrophobicContact CB-CB 4.2Å; A522-V947 HydrophobicContact CB-CG1 4.2Å; A522-V947 HydrophobicContact CB-CG2 3.84Å; T834-V947 HydrophobicContact CG2-CG1 4.09Å; A943-V947 WeakPolarHBondContact O-CG2 3.42Å; A943-V947 PolarHBondContact O-N 3.42Å; A943-V947 VanDerWaalsContact O-N 3.07Å; M944-V947 PolarHBondContact O-N 3Å; M944-V947 VanDerWaalsContact O-N 3.15Å; V947-S949 VanDerWaalsContact C-N 3.31Å; V947-S949 PolarHBondContact O-N 3.4Å; V947-S950 WeakPolarHBondContact O-CB 3.33Å; V947-S950 PolarHBondContact O-N 3.08Å; V947-S950 VanDerWaalsContact O-N 3.11Å; V947-Y951 HydrophobicContact CG1-CD2 3.71Å; V947-Y951 HydrophobicContact CG1-CE2 3.66Å; V947-Y951 WeakPolarHBondContact O-CD2 3.44Å; V947-Y951 PolarHBondContact O-N 3.28Å
948	Q	94.8	Very high	94.3	Very high	28 Å²	28	30.1 Å²	30.1	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-46.5	177.9	-176.4	-173.3	11.3	0	0	112	L825 L916 L919 L921 M944 D945 S950 Y951 L952	L825-Q948 HydrophobicContact CD2-CB 4.18Å; L825-Q948 HydrophobicContact CD2-CG 4.24Å; L916-Q948 PolarHBondContact O-NE2 3.22Å; L919-Q948 PolarHBondContact O-NE2 3.48Å; L921-Q948 HydrophobicContact CD1-CB 3.75Å; L921-Q948 HydrophobicContact CD1-CG 4.23Å; M944-Q948 PolarHBondContact O-N 2.83Å; D945-Q948 PolarHBondContact O-N 3.18Å; Q948-S950 VanDerWaalsContact C-N 3.33Å; Q948-S950 PolarHBondContact O-N 3.29Å; Q948-Y951 PolarHBondContact O-N 3.49Å; Q948-L952 PolarHBondContact O-N 2.92Å
949	S	95.2	Very high	94.8	Very high	62 Å²	62	29 Å²	29	43%	0.434	15%	0.152	S	C	.	.	H	α-helix	trans	-61.9	-41	178.4	-59.4	0	0	0	0	111.7	D945 V947 L952 G953	D945-S949 WeakPolarHBondContact O-CB 3.17Å; D945-S949 PolarHBondContact O-N 3.42Å; D945-S949 PolarHBondContact O-OG 3.03Å; V947-S949 VanDerWaalsContact C-N 3.31Å; V947-S949 PolarHBondContact O-N 3.4Å; S949-L952 PolarHBondContact O-N 3.14Å; S949-G953 PolarHBondContact O-N 3.31Å
950	S	97.3	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-42.5	177.5	-171.8	0	0	0	0	112.5	A522 F523 Q524 Q556 K946 V947 Q948 L952 G953 S954	A522-S950 WeakPolarHBondContact CA-OG 3.23Å; F523-S950 PolarHBondContact N-OG 3.14Å; Q524-S950 PolarHBondContact N-OG 3.47Å; Q556-S950 PolarHBondContact NE2-O 3.04Å; K946-S950 WeakPolarHBondContact O-CB 3.43Å; K946-S950 PolarHBondContact O-N 3.15Å; V947-S950 WeakPolarHBondContact O-CB 3.33Å; V947-S950 PolarHBondContact O-N 3.08Å; V947-S950 VanDerWaalsContact O-N 3.11Å; Q948-S950 VanDerWaalsContact C-N 3.33Å; Q948-S950 PolarHBondContact O-N 3.29Å; S950-L952 VanDerWaalsContact C-N 3.31Å; S950-L952 PolarHBondContact O-N 3.27Å; S950-G953 PolarHBondContact O-N 3.35Å; S950-S954 PolarHBondContact O-N 3.12Å; S950-S954 PolarHBondContact O-OG 3.16Å
951	Y	97.3	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-41.5	175.9	-90.5	-85.5	0	0	0	111.5	L520 V824 T834 P836 L839 V947 Q948 S954 L955	L520-Y951 VanDerWaalsContact O-CE2 3.24Å; L520-Y951 WeakPolarHBondContact O-CE2 3.33Å; L520-Y951 PolarHBondContact O-OH 2.94Å; V824-Y951 HydrophobicContact CB-CD1 3.85Å; V824-Y951 HydrophobicContact CB-CE1 3.79Å; V824-Y951 HydrophobicContact CG2-CD1 3.7Å; V824-Y951 HydrophobicContact CG2-CE1 4.16Å; V824-Y951 HydrophobicContact CG2-CG 4.48Å; T834-Y951 HydrophobicContact CG2-CE2 4.35Å; P836-Y951 WeakPolarHBondContact CA-OH 3.3Å; L839-Y951 HydrophobicContact CB-CE1 4.17Å; L839-Y951 HydrophobicContact CD2-CD1 3.9Å; L839-Y951 HydrophobicContact CD2-CE1 3.82Å; V947-Y951 HydrophobicContact CG1-CD2 3.71Å; V947-Y951 HydrophobicContact CG1-CE2 3.66Å; V947-Y951 WeakPolarHBondContact O-CD2 3.44Å; V947-Y951 PolarHBondContact O-N 3.28Å; Q948-Y951 PolarHBondContact O-N 3.49Å; Y951-S954 PolarHBondContact O-N 2.95Å; Y951-L955 WeakPolarHBondContact O-CG 3.41Å; Y951-L955 PolarHBondContact O-N 3.27Å
952	L	96.7	Very high	95.6	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.225	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-46.1	176	-176.8	64.1	0	0	0	111.3	E913 Q948 S949 S950 S954 L955 Q956	E913-L952 HydrophobicContact CB-CD1 4.11Å; E913-L952 HydrophobicContact CG-CD1 4.12Å; Q948-L952 PolarHBondContact O-N 2.92Å; S949-L952 PolarHBondContact O-N 3.14Å; S950-L952 VanDerWaalsContact C-N 3.31Å; S950-L952 PolarHBondContact O-N 3.27Å; L952-S954 VanDerWaalsContact C-N 3.33Å; L952-S954 PolarHBondContact O-N 2.94Å; L952-L955 PolarHBondContact O-N 2.74Å; L952-Q956 VanDerWaalsContact O-CG 3.26Å; L952-Q956 WeakPolarHBondContact O-CG 3.35Å; L952-Q956 PolarHBondContact O-N 3.41Å
953	G	97	Very high	95.8	Very high	12 Å²	12	31.6 Å²	31.6	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-42.4	175.8	0	0	0	0	0	112.8	S949 S950 Q956 E957	S949-G953 PolarHBondContact O-N 3.31Å; S950-G953 PolarHBondContact O-N 3.35Å; G953-Q956 PolarHBondContact O-N 3.25Å; G953-E957 PolarHBondContact O-N 3.11Å; G953-E957 VanDerWaalsContact O-N 3.11Å
954	S	97.8	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-44	177.9	-66.1	0	0	0	0	112.2	L554 Q556 S950 Y951 L952 Q956 E957 L958	L554-S954 WeakPolarHBondContact O-CB 3.47Å; L554-S954 PolarHBondContact O-OG 2.89Å; Q556-S954 PolarHBondContact NE2-OG 3.42Å; S950-S954 PolarHBondContact O-N 3.12Å; S950-S954 PolarHBondContact O-OG 3.16Å; Y951-S954 PolarHBondContact O-N 2.95Å; L952-S954 VanDerWaalsContact C-N 3.33Å; L952-S954 PolarHBondContact O-N 2.94Å; S954-Q956 VanDerWaalsContact C-N 3.35Å; S954-E957 PolarHBondContact O-N 3.41Å; S954-L958 WeakPolarHBondContact O-CB 3.34Å; S954-L958 WeakPolarHBondContact O-CD1 3.28Å; S954-L958 VanDerWaalsContact O-CG 3.28Å; S954-L958 WeakPolarHBondContact O-CG 3.5Å; S954-L958 PolarHBondContact O-N 2.87Å
955	L	97.8	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-37.7	178.5	-72.2	167.4	0	0	0	112	V824 L839 L842 V909 Q912 E913 L916 Y951 L952 L958 G959	V824-L955 HydrophobicContact CG2-CD1 4.28Å; L839-L955 HydrophobicContact CD1-CD2 4.45Å; L842-L955 HydrophobicContact CD2-CD2 3.82Å; V909-L955 HydrophobicContact CG1-CB 4.2Å; V909-L955 HydrophobicContact CG1-CD2 4.26Å; V909-L955 WeakPolarHBondContact CG1-O 3.44Å; Q912-L955 HydrophobicContact CB-CD1 3.6Å; Q912-L955 HydrophobicContact CB-CD2 4.19Å; E913-L955 HydrophobicContact CG-CB 3.89Å; E913-L955 HydrophobicContact CG-CD1 4.43Å; L916-L955 HydrophobicContact CD1-CD1 3.41Å; L916-L955 VanDerWaalsContact CD1-CD1 3.41Å; Y951-L955 WeakPolarHBondContact O-CG 3.41Å; Y951-L955 PolarHBondContact O-N 3.27Å; L952-L955 PolarHBondContact O-N 2.74Å; L955-L958 PolarHBondContact O-N 2.68Å; L955-G959 PolarHBondContact O-N 3.21Å
956	Q	97.3	Very high	95.7	Very high	93 Å²	93	34.7 Å²	34.7	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-62	-48	175.8	-74.4	171.5	-5.2	0	0	111.7	L952 G953 S954 L958 G959 D960	L952-Q956 VanDerWaalsContact O-CG 3.26Å; L952-Q956 WeakPolarHBondContact O-CG 3.35Å; L952-Q956 PolarHBondContact O-N 3.41Å; G953-Q956 PolarHBondContact O-N 3.25Å; S954-Q956 VanDerWaalsContact C-N 3.35Å; Q956-L958 PolarHBondContact O-N 3.02Å; Q956-G959 PolarHBondContact O-N 3.13Å; Q956-D960 WeakPolarHBondContact O-CB 3.3Å; Q956-D960 PolarHBondContact O-N 3.4Å
957	E	97.6	Very high	95.4	Very high	51 Å²	51	35 Å²	35	24%	0.238	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-42.3	177.2	-74.2	-163	-146.2	0	0	112	F557 A558 G953 S954 D960 L961	F557-E957 WeakPolarHBondContact CA-OE2 3.33Å; F557-E957 VanDerWaalsContact CB-OE2 3.31Å; F557-E957 WeakPolarHBondContact CB-OE2 3.46Å; F557-E957 HydrophobicContact CD2-CB 4.28Å; F557-E957 PolarHBondContact N-OE2 2.7Å; A558-E957 PolarHBondContact N-OE2 2.86Å; A558-E957 VanDerWaalsContact N-OE2 3.08Å; G953-E957 PolarHBondContact O-N 3.11Å; G953-E957 VanDerWaalsContact O-N 3.11Å; S954-E957 PolarHBondContact O-N 3.41Å; E957-D960 PolarHBondContact O-N 2.98Å; E957-L961 WeakPolarHBondContact O-CB 3.5Å; E957-L961 PolarHBondContact O-N 3.42Å
958	L	97.2	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.6	-73.1	166.1	0	0	0	112.1	F557 L839 L842 V843 V846 S954 L955 Q956 L961 L962	F557-L958 HydrophobicContact CE2-CD2 3.78Å; F557-L958 HydrophobicContact CE2-CG 4.38Å; F557-L958 HydrophobicContact CZ-CD2 3.67Å; L839-L958 HydrophobicContact CD1-CD1 3.78Å; L842-L958 HydrophobicContact CD2-CD1 3.9Å; L842-L958 HydrophobicContact CG-CD1 4.17Å; V843-L958 HydrophobicContact CG2-CD1 4.04Å; V843-L958 HydrophobicContact CG2-CD2 3.98Å; V846-L958 HydrophobicContact CB-CD2 4.13Å; V846-L958 HydrophobicContact CG1-CD2 4.44Å; V846-L958 HydrophobicContact CG2-CD2 3.79Å; S954-L958 WeakPolarHBondContact O-CB 3.34Å; S954-L958 WeakPolarHBondContact O-CD1 3.28Å; S954-L958 VanDerWaalsContact O-CG 3.28Å; S954-L958 WeakPolarHBondContact O-CG 3.5Å; S954-L958 PolarHBondContact O-N 2.87Å; L955-L958 PolarHBondContact O-N 2.68Å; Q956-L958 PolarHBondContact O-N 3.02Å; L958-L961 PolarHBondContact O-N 3.42Å; L958-L962 WeakPolarHBondContact O-CB 3.31Å; L958-L962 WeakPolarHBondContact O-CG 3.45Å; L958-L962 PolarHBondContact O-N 2.65Å
959	G	96.9	Very high	94.4	Very high	5 Å²	5	35.2 Å²	35.2	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-40.7	178.4	0	0	0	0	0	112.5	L906 L955 Q956 R963	L906-G959 WeakPolarHBondContact CD2-O 3.45Å; L955-G959 PolarHBondContact O-N 3.21Å; Q956-G959 PolarHBondContact O-N 3.13Å; G959-R963 WeakPolarHBondContact O-CB 3.27Å; G959-R963 PolarHBondContact O-N 3.37Å
960	D	95.9	Very high	93.8	Very high	85 Å²	85	38.7 Å²	38.7	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-66	-42	175.6	-81.3	-11.3	0	0	0	111.9	Q956 E957 R963 K964	Q956-D960 WeakPolarHBondContact O-CB 3.3Å; Q956-D960 PolarHBondContact O-N 3.4Å; E957-D960 PolarHBondContact O-N 2.98Å; D960-R963 PolarHBondContact O-N 2.8Å; D960-K964 WeakPolarHBondContact O-CG 3.49Å; D960-K964 PolarHBondContact O-N 2.71Å; D960-K964 VanDerWaalsContact O-N 3.09Å
961	L	95.6	Very high	93	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-48.1	175.3	179.2	53.9	0	0	0	111.5	F557 Y623 V846 E957 L958 R963 K964 R965	F557-L961 HydrophobicContact CD2-CD2 4.29Å; F557-L961 HydrophobicContact CE2-CD2 3.72Å; F557-L961 HydrophobicContact CZ-CD2 4.17Å; Y623-L961 VanDerWaalsContact O-CD1 3.28Å; Y623-L961 WeakPolarHBondContact O-CD1 3.22Å; V846-L961 HydrophobicContact CG1-CD2 3.65Å; V846-L961 HydrophobicContact CG1-CG 4Å; E957-L961 WeakPolarHBondContact O-CB 3.5Å; E957-L961 PolarHBondContact O-N 3.42Å; L958-L961 PolarHBondContact O-N 3.42Å; L961-R963 PolarHBondContact O-N 3.38Å; L961-K964 PolarHBondContact O-N 3.39Å; L961-R965 HydrophobicContact CD1-CG 4.22Å; L961-R965 VanDerWaalsContact O-CG 3.32Å; L961-R965 WeakPolarHBondContact O-CG 3.38Å; L961-R965 PolarHBondContact O-N 3.41Å
962	L	95.7	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-37.1	175.9	-81.3	172.7	0	0	0	112.2	F845 V846 A905 L906 V909 L958 R965 A966	F845-L962 HydrophobicContact CE1-CD2 4.34Å; V846-L962 HydrophobicContact CG1-CD2 4.42Å; V846-L962 HydrophobicContact CG1-CG 4.4Å; V846-L962 HydrophobicContact CG2-CD1 3.86Å; V846-L962 HydrophobicContact CG2-CD2 3.91Å; V846-L962 HydrophobicContact CG2-CG 3.73Å; A905-L962 HydrophobicContact CB-CD1 4.17Å; L906-L962 HydrophobicContact CD2-CB 3.57Å; L906-L962 HydrophobicContact CG-CB 4.02Å; V909-L962 HydrophobicContact CG2-CD1 4.25Å; L958-L962 WeakPolarHBondContact O-CB 3.31Å; L958-L962 WeakPolarHBondContact O-CG 3.45Å; L958-L962 PolarHBondContact O-N 2.65Å; L962-R965 PolarHBondContact O-N 3.1Å; L962-A966 WeakPolarHBondContact O-CB 3.28Å; L962-A966 PolarHBondContact O-N 3.1Å
963	R	95.2	Very high	91.6	Very high	133 Å²	133	47.9 Å²	47.9	50%	0.502	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-46.1	177.5	-169.3	-177.3	-52.2	-154.4	5.6	111.7	L906 G959 D960 L961 R965 A966 D967	L906-R963 HydrophobicContact CD2-CB 4.35Å; G959-R963 WeakPolarHBondContact O-CB 3.27Å; G959-R963 PolarHBondContact O-N 3.37Å; D960-R963 PolarHBondContact O-N 2.8Å; L961-R963 PolarHBondContact O-N 3.38Å; R963-R965 VanDerWaalsContact C-N 3.27Å; R963-R965 PolarHBondContact O-N 2.89Å; R963-A966 WeakPolarHBondContact O-CB 3.49Å; R963-A966 PolarHBondContact O-N 3.47Å; R963-D967 PolarHBondContact O-N 2.89Å; R963-D967 VanDerWaalsContact O-N 3.16Å
964	K	92.7	Very high	90.6	Very high	108 Å²	108	49.1 Å²	49.1	47%	0.47	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-40.2	174.3	-69	168.3	180	176.5	0	111.3	V628 D960 L961 D967 S968	V628-K964 HydrophobicContact CG1-CD 4.13Å; V628-K964 HydrophobicContact CG2-CB 4.29Å; D960-K964 WeakPolarHBondContact O-CG 3.49Å; D960-K964 PolarHBondContact O-N 2.71Å; D960-K964 VanDerWaalsContact O-N 3.09Å; L961-K964 PolarHBondContact O-N 3.39Å; K964-D967 PolarHBondContact O-N 3.22Å; K964-S968 PolarHBondContact O-N 3.12Å
965	R	90.9	Very high	90.2	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-34.2	176.2	-65.4	-67.7	170.2	-146.3	2.9	113.2	L622 Y623 A626 C850 L853 L961 L962 R963 D967 S968 L969	L622-R965 PolarHBondContact O-NH2 3.32Å; Y623-R965 PolarHBondContact O-NH2 2.91Å; A626-R965 VanDerWaalsContact O-CZ 3.22Å; A626-R965 PolarHBondContact O-NH1 3.46Å; A626-R965 PolarHBondContact O-NH2 2.94Å; C850-R965 PolarHBondContact SG-NE 3.25Å; C850-R965 VanDerWaalsContact SG-NE 3.35Å; L853-R965 HydrophobicContact CD1-CB 3.79Å; L853-R965 HydrophobicContact CD1-CG 4.43Å; L961-R965 HydrophobicContact CD1-CG 4.22Å; L961-R965 VanDerWaalsContact O-CG 3.32Å; L961-R965 WeakPolarHBondContact O-CG 3.38Å; L961-R965 PolarHBondContact O-N 3.41Å; L962-R965 PolarHBondContact O-N 3.1Å; R963-R965 VanDerWaalsContact C-N 3.27Å; R963-R965 PolarHBondContact O-N 2.89Å; R965-D967 PolarHBondContact O-N 3.16Å; R965-S968 PolarHBondContact O-N 3.18Å; R965-S968 PolarHBondContact O-OG 3.11Å; R965-L969 PolarHBondContact O-N 3.4Å
966	A	91.4	Very high	89.8	Confident	21 Å²	21	54.3 Å²	54.3	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-31.9	173.1	0	0	0	0	0	112.2	V902 L906 L962 R963	V902-A966 HydrophobicContact CG1-CB 3.8Å; L906-A966 HydrophobicContact CD1-CB 4.13Å; L962-A966 WeakPolarHBondContact O-CB 3.28Å; L962-A966 PolarHBondContact O-N 3.1Å; R963-A966 WeakPolarHBondContact O-CB 3.49Å; R963-A966 PolarHBondContact O-N 3.47Å
967	D	87.8	Confident	89.4	Confident	83 Å²	83	52.1 Å²	52.1	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-72	-36.1	176.2	-76.3	-35.4	0	0	0	112.8	R963 K964 R965 L969 K970	R963-D967 PolarHBondContact O-N 2.89Å; R963-D967 VanDerWaalsContact O-N 3.16Å; K964-D967 PolarHBondContact O-N 3.22Å; R965-D967 PolarHBondContact O-N 3.16Å; D967-L969 VanDerWaalsContact C-N 3.28Å; D967-L969 PolarHBondContact O-N 2.88Å; D967-K970 WeakPolarHBondContact O-CB 3.35Å; D967-K970 PolarHBondContact O-N 2.8Å; D967-K970 IonicContact OD1-NZ 2.61Å; D967-K970 PolarHBondContact OD1-NZ 3.07Å
968	S	84.6	Confident	88.9	Confident	24 Å²	24	52.2 Å²	52.2	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-30.5	178.7	73.3	0	0	0	0	112.8	K964 R965 K970 S971	K964-S968 PolarHBondContact O-N 3.12Å; R965-S968 PolarHBondContact O-N 3.18Å; R965-S968 PolarHBondContact O-OG 3.11Å; S968-K970 PolarHBondContact O-N 3.39Å; S968-K970 VanDerWaalsContact O-N 3.12Å; S968-S971 WeakPolarHBondContact O-CB 3.47Å; S968-S971 PolarHBondContact O-N 3.38Å; S968-S971 PolarHBondContact O-OG 2.9Å
969	L	85.6	Confident	88.4	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.047	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55	-28.8	173.8	-87.4	160.7	0	0	0	113.5	L853 L898 Q899 V902 R965 D967 S971 L972	L853-L969 HydrophobicContact CD2-CD1 4.03Å; L853-L969 HydrophobicContact CD2-CD2 3.48Å; L853-L969 VanDerWaalsContact CD2-CD2 3.48Å; L853-L969 HydrophobicContact CD2-CG 3.56Å; L898-L969 HydrophobicContact CB-CD2 4.13Å; Q899-L969 HydrophobicContact CB-CD1 4.33Å; V902-L969 HydrophobicContact CB-CD1 4.39Å; V902-L969 HydrophobicContact CG2-CD1 4.12Å; R965-L969 PolarHBondContact O-N 3.4Å; D967-L969 VanDerWaalsContact C-N 3.28Å; D967-L969 PolarHBondContact O-N 2.88Å; L969-S971 PolarHBondContact O-N 3.06Å; L969-L972 HydrophobicContact CD2-CD1 4.08Å; L969-L972 WeakPolarHBondContact O-CB 3.46Å; L969-L972 PolarHBondContact O-N 3.18Å; L969-L972 VanDerWaalsContact O-N 3.15Å
970	K	82.2	Confident	87.9	Confident	134 Å²	134	58.8 Å²	58.8	58%	0.583	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.9	178.5	-65.3	170.1	-179.9	160.9	0	112.1	D967 S968 L972	D967-K970 WeakPolarHBondContact O-CB 3.35Å; D967-K970 PolarHBondContact O-N 2.8Å; D967-K970 IonicContact OD1-NZ 2.61Å; D967-K970 PolarHBondContact OD1-NZ 3.07Å; S968-K970 PolarHBondContact O-N 3.39Å; S968-K970 VanDerWaalsContact O-N 3.12Å; K970-L972 VanDerWaalsContact C-N 3.31Å
971	S	80.7	Confident	87.3	Confident	77 Å²	77	56.9 Å²	56.9	54%	0.538	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-77.8	-13.9	-179.7	74.3	0	0	0	0	114	R864 S968 L969 K973	R864-S971 PolarHBondContact NH2-O 3.25Å; S968-S971 WeakPolarHBondContact O-CB 3.47Å; S968-S971 PolarHBondContact O-N 3.38Å; S968-S971 PolarHBondContact O-OG 2.9Å; L969-S971 PolarHBondContact O-N 3.06Å; S971-K973 PolarHBondContact O-N 3.47Å
972	L	83.9	Confident	86.7	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-85.2	-3	-174.7	-59.2	-171.5	0	0	0	114.1	A856 A860 F891 T895 L969 K970 I974	A856-L972 HydrophobicContact CB-CD1 3.65Å; A860-L972 HydrophobicContact CB-CD2 4.3Å; F891-L972 WeakPolarHBondContact CE1-O 2.85Å; T895-L972 HydrophobicContact CG2-CB 4.2Å; L969-L972 HydrophobicContact CD2-CD1 4.08Å; L969-L972 WeakPolarHBondContact O-CB 3.46Å; L969-L972 PolarHBondContact O-N 3.18Å; L969-L972 VanDerWaalsContact O-N 3.15Å; K970-L972 VanDerWaalsContact C-N 3.31Å; L972-I974 PolarHBondContact O-N 3.23Å
973	K	79.8	Confident	85.9	Confident	153 Å²	153	65.7 Å²	65.7	67%	0.665	32%	0.319	S	S	*	.			trans	-67.3	127	176.7	-67.2	-177.4	178.2	-179.3	0	110.3	R864 S971	R864-K973 PolarHBondContact NH2-O 2.72Å; S971-K973 PolarHBondContact O-N 3.47Å
974	I	75.9	Confident	85.1	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.195	30%	0.302	C	S	.	.			trans	-119.9	0	-179.7	64.2	172	0	0	0	114.1	A860 L863 R864 K867 L888 F891 Q892 L972	A860-I974 HydrophobicContact CB-CG2 3.96Å; L863-I974 HydrophobicContact CB-CD1 3.62Å; L863-I974 HydrophobicContact CD1-CD1 4.24Å; R864-I974 HydrophobicContact CB-CG2 4.04Å; K867-I974 PolarHBondContact NZ-O 3.39Å; K867-I974 PolarHBondContact NZ-OXT 3.07Å; L888-I974 HydrophobicContact CD2-CD1 3.86Å; F891-I974 HydrophobicContact CD1-CD1 3.32Å; F891-I974 HydrophobicContact CD1-CG1 3.6Å; F891-I974 HydrophobicContact CE1-CD1 3.68Å; F891-I974 HydrophobicContact CE1-CG1 3.75Å; F891-I974 HydrophobicContact CE1-CG2 4.12Å; F891-I974 HydrophobicContact CG-CD1 4.16Å; Q892-I974 PolarHBondContact NE2-O 3.02Å; L972-I974 PolarHBondContact O-N 3.23Å

Retrieved 974 of 974 residues in 458 ms (Link to these results)

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