A0A3Q0KGS1_SCHMA Loading...

[histone H4]-N-methyl-L-lysine(20) N-methyltransferase

AlphaFold DB (A0A5K4EEZ7), UniProt , Accession A0A3Q0KGS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 998 aa.

						>A0A3Q0KGS1_SCHMA|A0A3Q0KGS1
MRIRGSKLPPDMNVAKKNPIPNVTGSHQMTWKELAEADDLASALTVDPYLGFTTHKMTDMKLRIPERIKRKFRDIICNFQKHKCYDAAYNQLIADPNIVKRPWSVDPRFKEHVTRYLLLFDDRSGIEIRPCWRYASENHMGASIFATRDWAKGSRISTLVGCIAELKHHEEAAFLKHHKNDFSVMYSSRKNCSQLWLGPAAYVNHDCHPNCEFTINCDVDARMSLEAKMDIKCGDEIFIYYGTHFFDTNNRACECFTCELLGRGYFSKFTQAIDSTTVSDQKLISNIVNGQENYTRNIASYQNDRYNPNVHSHVLLDKMNLLPDNTPSAYNEAENAKQLPLGFFLEKGSSTGLACKALPNAYALRHTGSRLNRVKARLFAAKVASVNKSFGVNSHENRKPKVKPSYKKCSLRMTVSNIIPSLRRNKSSSNPHAIGRKRRMKSVAAVKNRQILSDAQVKDNFTSRKIISNLSDHNIVCDGISWQESDGTSSGLGQSVNNDSSGYNSPLPPDLDRMSSTSPNNSFSETIVVTPDLESSYYLESAVQACTDNRNMKRKPSDISVPFSIPIISPLRITAENEITKNVEPILGRLMHETKCSSDLKNPLTTNYLFNQSTASGHCRRRLTNYDARLIAEASLLTPVSKQRQRKPPSYPDSVEYVSFRNTVRSSKTRSIKYGNKDGILNDKSQNNNGHDVEDANDDSKSFYAKYSSQLGLSFMGNKYVVASGTQHYAMPDKCTDIESFSEDLKPPLLTSPSKLRTTSSFTLSDSSHDVGPPSIYSTAEADDRSELLSIDSELTEPNLDTDSSCDYHIPNTPTIPFGLYNKSITNDEKSSIMSAEHILIDHDYSLPACDVEYALVPDPIIDTKINNQDHRQKSEKDSLQHYNNNDKNYNGCIPEVVRTPPPPLLHPEIQSSIFELCARDSAHKIKNDFLSNSSHIPSVSYIHNSWRSRTSDSKDSWHPGLLFSDSTSPDSRRLTVTLKRVGPKHYQISQPSRLFIN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	44.6	Very low	231 Å²	231	148.1 Å²	148.1	100%	1.138	77%	0.773	S	S	*	*				0	144.4	0	-65.7	125.6	116.5	0	0	108.5
2	R	39.7	Very low	45.3	Very low	163 Å²	163	146.3 Å²	146.3	62%	0.615	76%	0.761	S	S	*	*			trans	-95.3	109.3	168	-79.4	-179.4	172	178.4	-8.3	108.3	R4 L470	R2-R4 PolarHBondContact O-N 3.49Å; R2-L470 HydrophobicContact CG-CB 4.26Å; R2-L470 VanDerWaalsContact NE-CB 3.29Å
3	I	43.8	Very low	46.4	Very low	154 Å²	154	142.4 Å²	142.4	79%	0.79	74%	0.742	S	S	*	*			trans	-74.1	118.8	177	-60.3	176.2	0	0	0	107.5	G5	I3-G5 PolarHBondContact O-N 3.09Å
4	R	43.5	Very low	47.7	Very low	237 Å²	237	135.7 Å²	135.7	89%	0.894	71%	0.71	S	S	*	*			trans	-77.5	110.1	167.7	-76.7	-178.3	171.6	177.6	-2.8	107.7	R2 S6	R2-R4 PolarHBondContact O-N 3.49Å; R4-S6 PolarHBondContact O-N 3.4Å
5	G	42.5	Very low	48.6	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	69%	0.691	S	S	*	*			trans	-60	108	171.3	0	0	0	0	0	110.6	I3 K7	I3-G5 PolarHBondContact O-N 3.09Å; G5-K7 PolarHBondContact O-N 2.77Å
6	S	40.4	Very low	49.6	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	70%	0.696	S	S	*	*			trans	-68.2	124.3	169.8	50.3	0	0	0	0	109.2	R4 L8	R4-S6 PolarHBondContact O-N 3.4Å; S6-L8 PolarHBondContact O-N 2.83Å
7	K	46	Very low	51.1	Low	209 Å²	209	134.9 Å²	134.9	91%	0.909	70%	0.697	S	S	*	*			trans	-59.3	111	165.6	-74.9	-172.9	174.4	-173.6	0	108.7	G5	G5-K7 PolarHBondContact O-N 2.77Å
8	L	42.5	Very low	53	Low	154 Å²	154	129.9 Å²	129.9	81%	0.806	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58.8	141.7	163.5	-78	161.4	0	0	0	108.5	S6	S6-L8 PolarHBondContact O-N 2.83Å
9	P	47.4	Very low	54.8	Low	105 Å²	105	127.8 Å²	127.8	68%	0.682	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.7	150.6	171.2	28.9	-34.3	0	0	0	109.6	D11	P9-D11 PolarHBondContact O-N 3.46Å
10	P	54	Low	56.6	Low	104 Å²	104	124.8 Å²	124.8	68%	0.675	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-58.3	134.3	174.1	25.8	-33.9	0	0	0	109.7	M12	P10-M12 HydrophobicContact CG-CE 4.39Å; P10-M12 PolarHBondContact O-N 2.99Å
11	D	53.7	Low	58.1	Low	93 Å²	93	120.8 Å²	120.8	50%	0.497	63%	0.633	S	S	.	*			trans	-65.7	102.5	-174.3	-178.1	11.4	0	0	0	111.1	P9 N13 V14	P9-D11 PolarHBondContact O-N 3.46Å; D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.29Å; D11-N13 PolarHBondContact OD1-N 3.27Å; D11-N13 PolarHBondContact OD1-ND2 3.22Å; D11-V14 HydrophobicContact CB-CG2 4.14Å; D11-V14 PolarHBondContact O-N 3.1Å
12	M	53.2	Low	60.2	Low	126 Å²	126	117.4 Å²	117.4	62%	0.621	62%	0.619	S	S	*	*	H	α-helix	trans	-56	-19.9	179.2	-67.1	-81.4	94.9	0	0	113	P10 K16	P10-M12 HydrophobicContact CG-CE 4.39Å; P10-M12 PolarHBondContact O-N 2.99Å; M12-K16 PolarHBondContact O-N 2.78Å
13	N	60	Low	62	Low	96 Å²	96	110.5 Å²	110.5	51%	0.513	60%	0.595	S	S	.	*	H	α-helix	trans	-71.2	-33.3	176.2	-60.4	-68.3	0	0	0	112.7	D11 K16 K17	D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.29Å; D11-N13 PolarHBondContact OD1-N 3.27Å; D11-N13 PolarHBondContact OD1-ND2 3.22Å; N13-K16 PolarHBondContact O-N 3.44Å; N13-K17 WeakPolarHBondContact O-CG 3.47Å; N13-K17 PolarHBondContact O-N 3.23Å
14	V	64.4	Low	63.4	Low	49 Å²	49	105.7 Å²	105.7	30%	0.297	57%	0.573	S	S	.	*	H	α-helix	trans	-66.9	-43.8	179.7	-179.3	0	0	0	0	110.6	D11 K16 K17 N18 K83	D11-V14 HydrophobicContact CB-CG2 4.14Å; D11-V14 PolarHBondContact O-N 3.1Å; V14-K16 VanDerWaalsContact C-N 3.29Å; V14-K16 PolarHBondContact O-N 2.84Å; V14-K17 PolarHBondContact O-N 2.78Å; V14-N18 PolarHBondContact O-N 3.18Å; V14-K83 HydrophobicContact CG1-CB 4.46Å; V14-K83 HydrophobicContact CG1-CG 4.27Å
15	A	61.6	Low	64.4	Low	51 Å²	51	94.4 Å²	94.4	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-32.5	178.3	0	0	0	0	0	113.1
16	K	64.2	Low	65.7	Low	178 Å²	178	92.6 Å²	92.6	77%	0.774	51%	0.506	S	S	*	.	H	α-helix	trans	-76.7	-34	175.3	-72.8	-177.1	177	-174.1	0	113.6	M12 N13 V14	M12-K16 PolarHBondContact O-N 2.78Å; N13-K16 PolarHBondContact O-N 3.44Å; V14-K16 VanDerWaalsContact C-N 3.29Å; V14-K16 PolarHBondContact O-N 2.84Å
17	K	75.6	Confident	67.7	Low	164 Å²	164	88.1 Å²	88.1	71%	0.713	47%	0.474	S	S	*	.	H	α-helix	trans	-75.8	-44.4	-179.3	-75.2	176.9	178.2	-176.5	0	112.4	N13 V14 P19	N13-K17 WeakPolarHBondContact O-CG 3.47Å; N13-K17 PolarHBondContact O-N 3.23Å; V14-K17 PolarHBondContact O-N 2.78Å; K17-P19 WeakPolarHBondContact O-CD 3.26Å
18	N	84	Confident	69.6	Low	45 Å²	45	86.3 Å²	86.3	24%	0.241	47%	0.468	C	S	.	.	S	Bend	trans	-122.1	80.6	-173.3	-60.8	-22.6	0	0	0	109.9	V14 H82 K83 R123	V14-N18 PolarHBondContact O-N 3.18Å; N18-H82 PolarHBondContact ND2-O 3.15Å; N18-K83 HydrophobicContact CB-CB 4.46Å; N18-K83 WeakPolarHBondContact CB-O 3.32Å; N18-R123 PolarHBondContact O-NH1 3.28Å; N18-R123 PolarHBondContact O-NH2 2.86Å
19	P	87.7	Confident	71.8	Confident	91 Å²	91	79.5 Å²	79.5	59%	0.591	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-60.7	161.7	178.1	26.6	-34.9	0	0	0	112	K17	K17-P19 WeakPolarHBondContact O-CD 3.26Å
20	I	90.5	Very high	73.9	Confident	66 Å²	66	78.2 Å²	78.2	34%	0.338	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-70.8	128.7	168.3	-55.3	176.6	0	0	0	107.2	L118 R123 T158	I20-L118 HydrophobicContact CG2-CD2 3.57Å; I20-R123 HydrophobicContact CD1-CB 3.75Å; I20-R123 WeakPolarHBondContact CD1-O 3.34Å; I20-R123 HydrophobicContact CG1-CB 4.26Å; I20-T158 HydrophobicContact CG2-CG2 4.31Å
21	P	87.6	Confident	75.5	Confident	41 Å²	41	74.3 Å²	74.3	27%	0.266	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64	140	178.2	25.1	-33	0	0	0	111	V23 Y85 T114	P21-V23 VanDerWaalsContact C-N 3.32Å; P21-V23 HydrophobicContact CB-CG2 3.84Å; P21-V23 HydrophobicContact CG-CG2 3.77Å; P21-V23 PolarHBondContact O-N 3.21Å; P21-Y85 VanDerWaalsContact CD-CE2 3.41Å; P21-Y85 VanDerWaalsContact CD-CZ 3.44Å; P21-Y85 HydrophobicContact CG-CD1 3.98Å; P21-Y85 HydrophobicContact CG-CD2 4.28Å; P21-Y85 HydrophobicContact CG-CE1 3.8Å; P21-Y85 HydrophobicContact CG-CE2 4.17Å; P21-Y85 HydrophobicContact CG-CG 4.21Å; P21-T114 HydrophobicContact CB-CG2 4.06Å; P21-T114 HydrophobicContact CG-CG2 3.59Å
22	N	82.8	Confident	77.3	Confident	160 Å²	160	75.6 Å²	75.6	86%	0.856	40%	0.396	S	S	*	.			trans	-80.4	81.9	171.4	-177	33.8	0	0	0	109.2
23	V	77.3	Confident	79.3	Confident	18 Å²	18	72 Å²	72	11%	0.109	38%	0.377	C	S	.	.			trans	-80.5	130.4	-171.7	-170.1	0	0	0	0	111.2	P21 E111 T114 R115 L118	P21-V23 VanDerWaalsContact C-N 3.32Å; P21-V23 HydrophobicContact CB-CG2 3.84Å; P21-V23 HydrophobicContact CG-CG2 3.77Å; P21-V23 PolarHBondContact O-N 3.21Å; V23-E111 HydrophobicContact CG1-CG 3.94Å; V23-T114 HydrophobicContact CG2-CG2 3.95Å; V23-R115 HydrophobicContact CG1-CG 3.38Å; V23-L118 HydrophobicContact CB-CD1 4.35Å; V23-L118 HydrophobicContact CG2-CD1 3.87Å
24	T	72.9	Confident	80.8	Confident	53 Å²	53	67.4 Å²	67.4	33%	0.325	35%	0.353	S	S	.	.			trans	-85	172.2	177.9	76.8	0	0	0	0	110.7	S26 E111 R115	T24-S26 WeakPolarHBondContact CB-OG 3.38Å; T24-S26 PolarHBondContact OG1-N 2.89Å; T24-S26 PolarHBondContact OG1-O 3.49Å; T24-S26 PolarHBondContact OG1-OG 3.2Å; T24-E111 WeakPolarHBondContact CB-OE1 3.37Å; T24-E111 PolarHBondContact N-OE1 3.21Å; T24-E111 PolarHBondContact OG1-OE1 2.82Å; T24-E111 PolarHBondContact OG1-OE2 3.18Å; T24-R115 PolarHBondContact O-NE 3.4Å; T24-R115 PolarHBondContact O-NH2 3.38Å
25	G	63.5	Low	82.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-102.5	-1.3	161	0	0	0	0	0	113.6	H27 D220	G25-H27 PolarHBondContact O-CD2 3.4Å; G25-H27 VanDerWaalsContact O-CD2 3.27Å; G25-H27 PolarHBondContact O-N 3.36Å; G25-H27 VanDerWaalsContact O-N 3.11Å; G25-D220 CarbonylContact C-O 3.53Å
26	S	71.2	Confident	83.7	Confident	38 Å²	38	67.3 Å²	67.3	27%	0.266	34%	0.341	S	S	.	.			trans	-77.4	95.9	178.1	46.9	0	0	0	0	109.6	T24 D220	T24-S26 WeakPolarHBondContact CB-OG 3.38Å; T24-S26 PolarHBondContact OG1-N 2.89Å; T24-S26 PolarHBondContact OG1-O 3.49Å; T24-S26 PolarHBondContact OG1-OG 3.2Å; S26-D220 WeakPolarHBondContact CA-O 3.29Å; S26-D220 PolarHBondContact N-O 3.2Å; S26-D220 VanDerWaalsContact N-O 3.1Å
27	H	82.7	Confident	85.2	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.046	30%	0.304	C	S	.	.			trans	-94.3	-20.1	-174.6	54.4	90.4	0	0	0	114.9	G25 M29 R108 I163	G25-H27 PolarHBondContact O-CD2 3.4Å; G25-H27 VanDerWaalsContact O-CD2 3.27Å; G25-H27 PolarHBondContact O-N 3.36Å; G25-H27 VanDerWaalsContact O-N 3.11Å; H27-M29 HydrophobicContact CB-CE 3.86Å; H27-M29 PolarHBondContact CE1-O 3.11Å; H27-M29 PolarHBondContact ND1-N 3.29Å; H27-M29 PolarHBondContact ND1-O 3.42Å; H27-M29 PolarHBondContact O-N 3.18Å; H27-R108 WeakPolarHBondContact O-CD 3.38Å; H27-R108 WeakPolarHBondContact O-CG 3.43Å; H27-I163 PolarHBondContact NE2-N 3.18Å; H27-I163 PolarHBondContact NE2-O 3.4Å
28	Q	83.9	Confident	86.1	Confident	170 Å²	170	51 Å²	51	79%	0.794	27%	0.27	S	S	*	.			trans	49.4	32.7	-177.1	-53.8	-174.8	20.3	0	0	114	R108	Q28-R108 WeakPolarHBondContact O-CD 3.27Å; Q28-R108 PolarHBondContact O-NH1 3.22Å
29	M	89.6	Confident	86.6	Confident	12 Å²	12	49 Å²	49	6%	0.059	26%	0.259	C	S	.	.			trans	-110.2	139.4	174.5	-69.3	-173.1	-76.2	0	0	108.7	H27 E33 L34 A37 W103 R108 H112	H27-M29 HydrophobicContact CB-CE 3.86Å; H27-M29 PolarHBondContact CE1-O 3.11Å; H27-M29 PolarHBondContact ND1-N 3.29Å; H27-M29 PolarHBondContact ND1-O 3.42Å; H27-M29 PolarHBondContact O-N 3.18Å; M29-E33 HydrophobicContact CB-CB 3.75Å; M29-E33 HydrophobicContact CG-CB 4.09Å; M29-E33 HydrophobicContact SD-CB 4.29Å; M29-L34 HydrophobicContact CB-CB 4.32Å; M29-L34 HydrophobicContact CE-CD1 3.75Å; M29-A37 HydrophobicContact CE-CB 4.06Å; M29-A37 HydrophobicContact SD-CB 3.87Å; M29-W103 HydrophobicContact SD-CH2 4.49Å; M29-W103 HydrophobicContact SD-CZ3 4.25Å; M29-R108 HydrophobicContact CE-CB 4.49Å; M29-R108 HydrophobicContact CG-CB 3.95Å; M29-R108 HydrophobicContact CG-CG 4.5Å; M29-R108 HydrophobicContact SD-CB 4.12Å; M29-H112 HydrophobicContact CE-CB 4.29Å
30	T	90.9	Very high	87	Confident	77 Å²	77	45.2 Å²	45.2	47%	0.472	23%	0.234	S	C	.	.			trans	-60.1	166.6	165.4	60	0	0	0	0	110.9	K32 E33 L34	T30-K32 PolarHBondContact O-N 2.94Å; T30-E33 VanDerWaalsContact CB-OE2 3.29Å; T30-E33 WeakPolarHBondContact CB-OE2 3.39Å; T30-E33 VanDerWaalsContact CG2-OE2 3.32Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.49Å; T30-E33 PolarHBondContact N-OE2 3.13Å; T30-E33 PolarHBondContact O-N 2.87Å; T30-E33 WeakPolarHBondContact OG1-CG 3.41Å; T30-E33 PolarHBondContact OG1-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.45Å; T30-L34 WeakPolarHBondContact O-CB 3.34Å; T30-L34 PolarHBondContact O-N 3.43Å
31	W	88.9	Confident	87.3	Confident	22 Å²	22	42.1 Å²	42.1	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-28.9	176.7	65.1	-98.3	0	0	0	113	A35 A164 L166 E170 F174 L195	W31-A35 VanDerWaalsContact O-CB 3.27Å; W31-A35 WeakPolarHBondContact O-CB 3.41Å; W31-A35 PolarHBondContact O-N 3.31Å; W31-A164 HydrophobicContact CB-CB 3.69Å; W31-L166 HydrophobicContact CB-CD1 3.77Å; W31-L166 HydrophobicContact CB-CG 4.08Å; W31-L166 HydrophobicContact CD2-CD2 4.38Å; W31-L166 HydrophobicContact CD2-CG 4.18Å; W31-L166 HydrophobicContact CG-CD1 4.14Å; W31-L166 HydrophobicContact CG-CG 3.87Å; W31-E170 HydrophobicContact CZ2-CB 3.72Å; W31-E170 HydrophobicContact CZ2-CG 4.07Å; W31-E170 PolarHBondContact NE1-OE1 3.1Å; W31-E170 PolarHBondContact NE1-OE2 2.97Å; W31-F174 AromaticContact CE3-CD1 3.74Å; W31-F174 HydrophobicContact CE3-CD1 3.74Å; W31-F174 AromaticContact CE3-CE1 3.91Å; W31-F174 HydrophobicContact CE3-CE1 3.91Å; W31-F174 HydrophobicContact CE3-CG 4.15Å; W31-F174 HydrophobicContact CE3-CZ 4.46Å; W31-F174 HydrophobicContact CH2-CB 3.69Å; W31-F174 HydrophobicContact CH2-CD1 4.2Å; W31-F174 HydrophobicContact CH2-CD2 4.15Å; W31-F174 AromaticContact CH2-CG 3.77Å; W31-F174 HydrophobicContact CH2-CG 3.77Å; W31-F174 HydrophobicContact CZ3-CB 3.73Å; W31-F174 AromaticContact CZ3-CD1 3.34Å; W31-F174 HydrophobicContact CZ3-CD1 3.34Å; W31-F174 AromaticContact CZ3-CD2 3.62Å; W31-F174 HydrophobicContact CZ3-CD2 3.62Å; W31-F174 AromaticContact CZ3-CE1 3.73Å; W31-F174 HydrophobicContact CZ3-CE1 3.73Å; W31-F174 HydrophobicContact CZ3-CE2 4Å; W31-F174 AromaticContact CZ3-CG 3.27Å; W31-F174 HydrophobicContact CZ3-CG 3.27Å; W31-F174 HydrophobicContact CZ3-CZ 4.05Å; W31-L195 HydrophobicContact CB-CD2 4.42Å
32	K	91.6	Very high	87.7	Confident	120 Å²	120	40.1 Å²	40.1	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-68.4	-55.7	174.6	-70.7	-174.8	178.7	-176.2	0	111.4	T30 L34 A35 E36	T30-K32 PolarHBondContact O-N 2.94Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 2.87Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; K32-E36 PolarHBondContact O-N 3.27Å
33	E	93.4	Very high	88.3	Confident	51 Å²	51	32.7 Å²	32.7	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-41.3	177.4	-70.6	164.7	113.2	0	0	111.2	M29 T30 A37 W103 R108	M29-E33 HydrophobicContact CB-CB 3.75Å; M29-E33 HydrophobicContact CG-CB 4.09Å; M29-E33 HydrophobicContact SD-CB 4.29Å; T30-E33 VanDerWaalsContact CB-OE2 3.29Å; T30-E33 WeakPolarHBondContact CB-OE2 3.39Å; T30-E33 VanDerWaalsContact CG2-OE2 3.32Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.49Å; T30-E33 PolarHBondContact N-OE2 3.13Å; T30-E33 PolarHBondContact O-N 2.87Å; T30-E33 WeakPolarHBondContact OG1-CG 3.41Å; T30-E33 PolarHBondContact OG1-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.45Å; E33-A37 WeakPolarHBondContact O-CB 3.2Å; E33-A37 PolarHBondContact O-N 2.87Å; E33-W103 HydrophobicContact CB-CH2 4.08Å; E33-W103 HydrophobicContact CG-CH2 4.49Å; E33-W103 WeakPolarHBondContact O-CH2 3.44Å; E33-R108 IonicContact OE1-CZ 3.33Å; E33-R108 IonicContact OE1-NH1 2.83Å; E33-R108 PolarHBondContact OE1-NH1 3.36Å; E33-R108 IonicContact OE1-NH2 2.72Å; E33-R108 PolarHBondContact OE1-NH2 3.09Å; E33-R108 IonicContact OE2-NH1 3.14Å
34	L	93.1	Very high	89.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-43.6	176.6	-175.5	67.3	0	0	0	111.6	M29 T30 K32 A37 D38 C162 A164 L197	M29-L34 HydrophobicContact CB-CB 4.32Å; M29-L34 HydrophobicContact CE-CD1 3.75Å; T30-L34 WeakPolarHBondContact O-CB 3.34Å; T30-L34 PolarHBondContact O-N 3.43Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 2.87Å; L34-A37 PolarHBondContact O-N 3.44Å; L34-D38 VanDerWaalsContact O-CB 3.31Å; L34-D38 WeakPolarHBondContact O-CB 3.32Å; L34-D38 PolarHBondContact O-N 3.34Å; L34-C162 HydrophobicContact CD1-CB 3.67Å; L34-C162 HydrophobicContact CD2-CB 3.97Å; L34-C162 HydrophobicContact CG-CB 4.47Å; L34-A164 HydrophobicContact CD2-CB 3.69Å; L34-L197 HydrophobicContact CD2-CB 4.14Å; L34-L197 HydrophobicContact CD2-CD1 4.08Å; L34-L197 HydrophobicContact CG-CB 4.22Å; L34-L197 HydrophobicContact CG-CD1 3.87Å
35	A	92.9	Very high	90.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-45.1	177.5	0	0	0	0	0	112.5	W31 K32 D38 D39 M57 T58 F174	W31-A35 VanDerWaalsContact O-CB 3.27Å; W31-A35 WeakPolarHBondContact O-CB 3.41Å; W31-A35 PolarHBondContact O-N 3.31Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; A35-D38 PolarHBondContact O-N 2.78Å; A35-D39 WeakPolarHBondContact O-CB 3.15Å; A35-D39 PolarHBondContact O-N 3.4Å; A35-M57 HydrophobicContact CB-CB 3.75Å; A35-M57 HydrophobicContact CB-CG 4.34Å; A35-T58 HydrophobicContact CB-CG2 4.23Å; A35-F174 HydrophobicContact CB-CE1 4.46Å; A35-F174 HydrophobicContact CB-CZ 4.05Å
36	E	93.9	Very high	92.1	Very high	97 Å²	97	29.3 Å²	29.3	45%	0.453	15%	0.145	S	C	.	.	H	α-helix	trans	-66.2	-40.1	176.3	-71.3	179	-151.4	0	0	112.2	K32 L40 T58 W103	K32-E36 PolarHBondContact O-N 3.27Å; E36-L40 WeakPolarHBondContact O-CB 3.35Å; E36-L40 PolarHBondContact O-N 3.15Å; E36-T58 HydrophobicContact CG-CG2 4.21Å; E36-W103 HydrophobicContact CB-CZ2 3.76Å
37	A	94.7	Very high	93.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-36.8	176	0	0	0	0	0	112.7	M29 E33 L34 A41 W103 F109	M29-A37 HydrophobicContact CE-CB 4.06Å; M29-A37 HydrophobicContact SD-CB 3.87Å; E33-A37 WeakPolarHBondContact O-CB 3.2Å; E33-A37 PolarHBondContact O-N 2.87Å; L34-A37 PolarHBondContact O-N 3.44Å; A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.15Å; A37-W103 HydrophobicContact CB-CH2 4.03Å; A37-W103 HydrophobicContact CB-CZ3 4.12Å; A37-F109 HydrophobicContact CB-CD2 3.93Å; A37-F109 HydrophobicContact CB-CE2 4.48Å
38	D	95.1	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.7	-43.5	179.1	-147.9	68.2	0	0	0	112.2	L34 A35 L40 A41 S42 H112 Y116 L197 G198	L34-D38 VanDerWaalsContact O-CB 3.31Å; L34-D38 WeakPolarHBondContact O-CB 3.32Å; L34-D38 PolarHBondContact O-N 3.34Å; A35-D38 PolarHBondContact O-N 2.78Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 2.71Å; D38-A41 PolarHBondContact O-N 3.1Å; D38-S42 WeakPolarHBondContact O-CB 3.39Å; D38-S42 PolarHBondContact O-N 3.42Å; D38-S42 PolarHBondContact O-OG 3.01Å; D38-H112 IonicContact OD1-CD2 2.78Å; D38-H112 IonicContact OD1-CE1 2.81Å; D38-H112 PolarHBondContact OD1-CE1 2.79Å; D38-H112 IonicContact OD1-NE2 3.22Å; D38-H112 PolarHBondContact OD1-NE2 2.88Å; D38-Y116 PolarHBondContact OD1-OH 3.1Å; D38-Y116 PolarHBondContact OD2-OH 3.03Å; D38-L197 HydrophobicContact CB-CB 4.26Å; D38-L197 HydrophobicContact CB-CD1 4.09Å; D38-L197 HydrophobicContact CB-CD2 4.47Å; D38-L197 WeakPolarHBondContact OD2-CD2 3.25Å; D38-G198 WeakPolarHBondContact OD1-CA 3.34Å; D38-G198 PolarHBondContact OD1-N 2.8Å
39	D	95.4	Very high	94.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-46.5	174.6	-79	1.1	0	0	0	111.1	A35 S42 A43 K56 M57 T58 M60	A35-D39 WeakPolarHBondContact O-CB 3.15Å; A35-D39 PolarHBondContact O-N 3.4Å; D39-S42 PolarHBondContact O-OG 3.47Å; D39-S42 VanDerWaalsContact O-OG 3.1Å; D39-A43 WeakPolarHBondContact O-CB 3.3Å; D39-A43 PolarHBondContact O-N 3.46Å; D39-K56 HydrophobicContact CB-CD 3.79Å; D39-K56 WeakPolarHBondContact O-CE 3.48Å; D39-K56 WeakPolarHBondContact OD1-CA 3.12Å; D39-K56 WeakPolarHBondContact OD1-CD 3.32Å; D39-M57 PolarHBondContact OD1-N 2.94Å; D39-M57 PolarHBondContact OD2-N 3.15Å; D39-T58 WeakPolarHBondContact OD2-CA 3.18Å; D39-T58 VanDerWaalsContact OD2-CB 3.27Å; D39-T58 WeakPolarHBondContact OD2-CB 3.4Å; D39-T58 WeakPolarHBondContact OD2-CG2 3.25Å; D39-T58 PolarHBondContact OD2-N 2.78Å; D39-T58 PolarHBondContact OD2-OG1 3.18Å; D39-M60 HydrophobicContact CB-SD 3.97Å
40	L	95.8	Very high	94.8	Very high	12 Å²	12	24 Å²	24	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-69.9	-43.8	177.7	-175.2	59	0	0	0	112	E36 D38 S42 A43 L44 L62 I98 V99 W103 F109	E36-L40 WeakPolarHBondContact O-CB 3.35Å; E36-L40 PolarHBondContact O-N 3.15Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 2.71Å; L40-S42 PolarHBondContact O-N 3.16Å; L40-A43 PolarHBondContact O-N 2.92Å; L40-L44 HydrophobicContact CD1-CD1 4.23Å; L40-L44 HydrophobicContact CD1-CG 4.2Å; L40-L44 HydrophobicContact CG-CD1 4.05Å; L40-L44 HydrophobicContact CG-CG 4.46Å; L40-L44 WeakPolarHBondContact O-CB 3.34Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 2.86Å; L40-L62 HydrophobicContact CD1-CD2 3.63Å; L40-I98 HydrophobicContact CD1-CG2 4.42Å; L40-V99 HydrophobicContact CD2-CG1 4.43Å; L40-V99 HydrophobicContact CD2-CG2 4.47Å; L40-W103 HydrophobicContact CD2-CB 4.33Å; L40-W103 HydrophobicContact CD2-CG 4.18Å; L40-F109 HydrophobicContact CB-CE2 4.15Å; L40-F109 HydrophobicContact CB-CZ 4.4Å; L40-F109 HydrophobicContact CD2-CE1 4.43Å; L40-F109 HydrophobicContact CD2-CE2 3.88Å; L40-F109 HydrophobicContact CD2-CZ 3.63Å; L40-F109 HydrophobicContact CG-CE2 4.06Å; L40-F109 HydrophobicContact CG-CZ 3.82Å
41	A	96.4	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179.8	0	0	0	0	0	112.3	A37 D38 L44 T45 F109 V113 Y116	A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.15Å; D38-A41 PolarHBondContact O-N 3.1Å; A41-L44 PolarHBondContact O-N 2.69Å; A41-T45 WeakPolarHBondContact O-CB 3.39Å; A41-T45 WeakPolarHBondContact O-CG2 3.2Å; A41-T45 PolarHBondContact O-N 2.92Å; A41-T45 VanDerWaalsContact O-N 3.14Å; A41-T45 PolarHBondContact O-OG1 3.18Å; A41-F109 HydrophobicContact CB-CE2 4.47Å; A41-V113 HydrophobicContact CB-CG2 4Å; A41-Y116 HydrophobicContact CB-CD2 3.59Å; A41-Y116 HydrophobicContact CB-CE2 3.77Å; A41-Y116 HydrophobicContact CB-CG 4.26Å
42	S	96	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-41.3	174.3	58.6	0	0	0	0	112.1	D38 D39 L40 L44 T45 V46 D47 K56	D38-S42 WeakPolarHBondContact O-CB 3.39Å; D38-S42 PolarHBondContact O-N 3.42Å; D38-S42 PolarHBondContact O-OG 3.01Å; D39-S42 PolarHBondContact O-OG 3.47Å; D39-S42 VanDerWaalsContact O-OG 3.1Å; L40-S42 PolarHBondContact O-N 3.16Å; S42-L44 VanDerWaalsContact C-N 3.31Å; S42-L44 PolarHBondContact O-N 2.9Å; S42-T45 PolarHBondContact O-N 2.86Å; S42-V46 PolarHBondContact O-N 3.36Å; S42-D47 PolarHBondContact O-N 3.42Å; S42-K56 VanDerWaalsContact OG-CE 3.29Å; S42-K56 WeakPolarHBondContact OG-CE 3.34Å; S42-K56 PolarHBondContact OG-NZ 3.44Å
43	A	96.1	Very high	95.1	Very high	4 Å²	4	23 Å²	23	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-27.5	176.3	0	0	0	0	0	114.1	D39 L40 P48 M60 I64	D39-A43 WeakPolarHBondContact O-CB 3.3Å; D39-A43 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 2.92Å; A43-P48 WeakPolarHBondContact O-CD 3.35Å; A43-P48 VanDerWaalsContact O-CG 3.25Å; A43-P48 WeakPolarHBondContact O-CG 3.14Å; A43-M60 HydrophobicContact CB-CE 4.05Å; A43-M60 HydrophobicContact CB-SD 4.36Å; A43-I64 HydrophobicContact CB-CD1 3.91Å
44	L	96.9	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-80.8	-26.2	173.3	-70.8	172.4	0	0	0	113.5	L40 A41 S42 F72 L92 I98 V99 F109	L40-L44 HydrophobicContact CD1-CD1 4.23Å; L40-L44 HydrophobicContact CD1-CG 4.2Å; L40-L44 HydrophobicContact CG-CD1 4.05Å; L40-L44 HydrophobicContact CG-CG 4.46Å; L40-L44 WeakPolarHBondContact O-CB 3.34Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 2.86Å; A41-L44 PolarHBondContact O-N 2.69Å; S42-L44 VanDerWaalsContact C-N 3.31Å; S42-L44 PolarHBondContact O-N 2.9Å; L44-F72 HydrophobicContact CD2-CD2 4.25Å; L44-F72 HydrophobicContact CD2-CE1 3.99Å; L44-F72 HydrophobicContact CD2-CE2 3.58Å; L44-F72 HydrophobicContact CD2-CZ 3.42Å; L44-F72 VanDerWaalsContact CD2-CZ 3.42Å; L44-L92 WeakPolarHBondContact O-CD2 3.37Å; L44-I98 HydrophobicContact CD2-CG2 3.94Å; L44-V99 HydrophobicContact CD1-CG2 3.81Å; L44-V99 HydrophobicContact CD2-CG2 4.1Å; L44-F109 HydrophobicContact CD1-CZ 4.02Å
45	T	97.6	Very high	94.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-123.8	-56.2	-165.8	62.9	0	0	0	0	114.7	A41 S42 Y49 I76 L92 V113 Y116	A41-T45 WeakPolarHBondContact O-CB 3.39Å; A41-T45 WeakPolarHBondContact O-CG2 3.2Å; A41-T45 PolarHBondContact O-N 2.92Å; A41-T45 VanDerWaalsContact O-N 3.14Å; A41-T45 PolarHBondContact O-OG1 3.18Å; S42-T45 PolarHBondContact O-N 2.86Å; T45-Y49 VanDerWaalsContact O-CB 3.32Å; T45-Y49 WeakPolarHBondContact O-CB 3.5Å; T45-I76 HydrophobicContact CG2-CD1 4.19Å; T45-L92 HydrophobicContact CG2-CD1 3.75Å; T45-V113 HydrophobicContact CG2-CG1 4.28Å; T45-Y116 WeakPolarHBondContact OG1-CB 3.49Å; T45-Y116 WeakPolarHBondContact OG1-CD1 3.27Å
46	V	97	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-82.4	-48.2	-173.3	171.6	0	0	0	0	110.9	S42 Y49 L50 T54 Y116 L119 F120 I128 Y202	S42-V46 PolarHBondContact O-N 3.36Å; V46-Y49 PolarHBondContact O-N 3.06Å; V46-Y49 VanDerWaalsContact O-N 3.09Å; V46-L50 HydrophobicContact CG1-CD1 3.52Å; V46-L50 HydrophobicContact CG1-CG 4.01Å; V46-L50 WeakPolarHBondContact O-CG 3.36Å; V46-L50 PolarHBondContact O-N 2.87Å; V46-T54 HydrophobicContact CG1-CG2 3.64Å; V46-Y116 HydrophobicContact CG2-CD1 3.64Å; V46-Y116 HydrophobicContact CG2-CE1 3.89Å; V46-L119 HydrophobicContact CG2-CD1 3.94Å; V46-F120 HydrophobicContact CG2-CZ 4.02Å; V46-I128 HydrophobicContact CG1-CD1 3.8Å; V46-I128 HydrophobicContact CG2-CD1 4.18Å; V46-Y202 HydrophobicContact CG1-CE1 4.46Å
47	D	96.1	Very high	94.6	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.064	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-42.5	-176.5	-57.8	-11.4	0	0	0	112.2	S42 Y49 G51 F52 T54 K56	S42-D47 PolarHBondContact O-N 3.42Å; D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact O-N 3.05Å; D47-G51 WeakPolarHBondContact O-CA 3.44Å; D47-G51 PolarHBondContact O-N 3.09Å; D47-F52 WeakPolarHBondContact CA-O 3.12Å; D47-F52 WeakPolarHBondContact CB-O 3.27Å; D47-F52 PolarHBondContact O-N 3.06Å; D47-T54 WeakPolarHBondContact OD1-CB 3.18Å; D47-T54 PolarHBondContact OD1-N 2.64Å; D47-T54 PolarHBondContact OD1-OG1 3.01Å; D47-K56 IonicContact OD1-NZ 3.7Å; D47-K56 PolarHBondContact OD1-NZ 2.71Å; D47-K56 WeakPolarHBondContact OD2-CE 3.23Å; D47-K56 IonicContact OD2-NZ 2.76Å; D47-K56 PolarHBondContact OD2-NZ 3.26Å
48	P	96	Very high	94.2	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.039	13%	0.13	C	C	.	.	H	α-helix	trans	-71.5	-23.9	175.2	-17.7	33.5	0	0	0	113.9	A43 K69 F72 R73	A43-P48 WeakPolarHBondContact O-CD 3.35Å; A43-P48 VanDerWaalsContact O-CG 3.25Å; A43-P48 WeakPolarHBondContact O-CG 3.14Å; P48-K69 HydrophobicContact CB-CB 4.34Å; P48-K69 WeakPolarHBondContact CB-O 3.48Å; P48-F72 HydrophobicContact CB-CB 3.89Å; P48-F72 HydrophobicContact CG-CB 3.85Å; P48-F72 HydrophobicContact CG-CD2 4.18Å; P48-R73 HydrophobicContact CB-CB 4.43Å; P48-R73 WeakPolarHBondContact O-CB 3.32Å; P48-R73 WeakPolarHBondContact O-CD 3.44Å
49	Y	96.9	Very high	93.4	Very high	76 Å²	76	26.2 Å²	26.2	30%	0.298	15%	0.152	S	C	.	.	H	α-helix	trans	-80.4	-43.3	177.8	179.7	-97.7	0	0	0	112.1	T45 V46 D47 I76 Q80 F120	T45-Y49 VanDerWaalsContact O-CB 3.32Å; T45-Y49 WeakPolarHBondContact O-CB 3.5Å; V46-Y49 PolarHBondContact O-N 3.06Å; V46-Y49 VanDerWaalsContact O-N 3.09Å; D47-Y49 VanDerWaalsContact C-N 3.33Å; D47-Y49 PolarHBondContact O-N 3.05Å; Y49-I76 HydrophobicContact CD2-CG2 3.7Å; Y49-I76 HydrophobicContact CE2-CG2 4.31Å; Y49-I76 HydrophobicContact CG-CG2 4.37Å; Y49-Q80 PolarHBondContact OH-NE2 3.26Å; Y49-F120 HydrophobicContact CD1-CD1 4.07Å; Y49-F120 AromaticContact CD1-CE1 3.52Å; Y49-F120 HydrophobicContact CD1-CE1 3.52Å; Y49-F120 HydrophobicContact CD2-CD1 4.08Å; Y49-F120 HydrophobicContact CD2-CE1 4.06Å; Y49-F120 HydrophobicContact CE1-CD1 4.14Å; Y49-F120 AromaticContact CE1-CE1 3.99Å; Y49-F120 HydrophobicContact CE1-CE1 3.99Å; Y49-F120 HydrophobicContact CE2-CD1 4.16Å; Y49-F120 HydrophobicContact CE2-CE1 4.49Å; Y49-F120 HydrophobicContact CG-CD1 4.03Å; Y49-F120 AromaticContact CG-CE1 3.55Å; Y49-F120 HydrophobicContact CG-CE1 3.55Å; Y49-F120 HydrophobicContact CG-CZ 4.45Å
50	L	95.4	Very high	92.4	Very high	24 Å²	24	28.8 Å²	28.8	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-81.3	-22.5	179.3	-61.8	-176.3	0	0	0	113.2	V46 F52 T54 I128 P130 A142	V46-L50 HydrophobicContact CG1-CD1 3.52Å; V46-L50 HydrophobicContact CG1-CG 4.01Å; V46-L50 WeakPolarHBondContact O-CG 3.36Å; V46-L50 PolarHBondContact O-N 2.87Å; L50-F52 HydrophobicContact CB-CD1 4.03Å; L50-F52 HydrophobicContact CB-CE1 3.65Å; L50-F52 HydrophobicContact CB-CZ 4.14Å; L50-F52 HydrophobicContact CD1-CE1 4.3Å; L50-F52 HydrophobicContact CD1-CZ 3.97Å; L50-F52 WeakPolarHBondContact O-CD1 3.48Å; L50-T54 HydrophobicContact CD1-CG2 3.84Å; L50-I128 HydrophobicContact CD1-CD1 4.39Å; L50-I128 HydrophobicContact CD1-CG1 4.37Å; L50-P130 HydrophobicContact CD2-CG 4.09Å; L50-A142 HydrophobicContact CD1-CB 3.64Å
51	G	93.8	Very high	91.1	Very high	68 Å²	68	38 Å²	38	70%	0.701	20%	0.204	S	C	*	.	S	Bend	trans	88.5	5	177.7	0	0	0	0	0	115.1	D47	D47-G51 WeakPolarHBondContact O-CA 3.44Å; D47-G51 PolarHBondContact O-N 3.09Å
52	F	92.6	Very high	90.2	Very high	36 Å²	36	40.6 Å²	40.6	16%	0.158	22%	0.218	C	C	.	.	S	Bend	trans	-144.2	157	176.4	62.6	-87	0	0	0	110.6	D47 L50 T54 P130 W132 G141	D47-F52 WeakPolarHBondContact CA-O 3.12Å; D47-F52 WeakPolarHBondContact CB-O 3.27Å; D47-F52 PolarHBondContact O-N 3.06Å; L50-F52 HydrophobicContact CB-CD1 4.03Å; L50-F52 HydrophobicContact CB-CE1 3.65Å; L50-F52 HydrophobicContact CB-CZ 4.14Å; L50-F52 HydrophobicContact CD1-CE1 4.3Å; L50-F52 HydrophobicContact CD1-CZ 3.97Å; L50-F52 WeakPolarHBondContact O-CD1 3.48Å; F52-T54 HydrophobicContact CD2-CG2 4.49Å; F52-T54 HydrophobicContact CE2-CG2 3.97Å; F52-T54 PolarHBondContact O-N 2.56Å; F52-P130 HydrophobicContact CE1-CB 3.93Å; F52-P130 HydrophobicContact CE1-CG 4.09Å; F52-P130 HydrophobicContact CZ-CB 4.19Å; F52-W132 HydrophobicContact CD1-CH2 4.46Å; F52-W132 HydrophobicContact CE1-CH2 4.34Å; F52-W132 HydrophobicContact CE1-CZ2 4.44Å; F52-G141 VanDerWaalsContact CZ-O 3.27Å; F52-G141 WeakPolarHBondContact CZ-O 3.31Å
53	T	92.3	Very high	89.6	Confident	94 Å²	94	51.7 Å²	51.7	58%	0.577	26%	0.26	S	S	*	.			trans	-72.5	114.6	177.5	-49.4	0	0	0	0	110	K56	T53-K56 HydrophobicContact CG2-CG 4.29Å
54	T	92.8	Very high	89.2	Confident	8 Å²	8	52.4 Å²	52.4	5%	0.049	26%	0.263	C	S	.	.			trans	-76.3	176.9	170	61.3	0	0	0	0	111.5	V46 D47 L50 F52 K56 A142 Y202	V46-T54 HydrophobicContact CG1-CG2 3.64Å; D47-T54 WeakPolarHBondContact OD1-CB 3.18Å; D47-T54 PolarHBondContact OD1-N 2.64Å; D47-T54 PolarHBondContact OD1-OG1 3.01Å; L50-T54 HydrophobicContact CD1-CG2 3.84Å; F52-T54 HydrophobicContact CD2-CG2 4.49Å; F52-T54 HydrophobicContact CE2-CG2 3.97Å; F52-T54 PolarHBondContact O-N 2.56Å; T54-K56 PolarHBondContact O-NZ 2.74Å; T54-K56 PolarHBondContact OG1-NZ 2.86Å; T54-A142 HydrophobicContact CG2-CB 4.4Å; T54-Y202 HydrophobicContact CG2-CE1 4.03Å; T54-Y202 PolarHBondContact OG1-OH 3.32Å
55	H	89.1	Confident	88.9	Confident	51 Å²	51	55.6 Å²	55.6	24%	0.236	28%	0.284	C	S	.	.			trans	-46.9	146.5	-177.4	56.6	-123.3	0	0	0	113.7	F182 Y202	H55-F182 HydrophobicContact CB-CD1 4.21Å; H55-F182 HydrophobicContact CB-CD2 4.24Å; H55-F182 HydrophobicContact CB-CE1 3.86Å; H55-F182 HydrophobicContact CB-CE2 3.89Å; H55-F182 HydrophobicContact CB-CG 4.41Å; H55-F182 HydrophobicContact CB-CZ 3.69Å; H55-F182 AromaticContact CD2-CE2 3.37Å; H55-F182 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F182 AromaticContact CD2-CZ 3.51Å; H55-F182 AromaticContact CG-CE2 3.49Å; H55-F182 VanDerWaalsContact CG-CE2 3.49Å; H55-F182 AromaticContact CG-CZ 3.68Å; H55-F182 AromaticContact ND1-CE2 3.91Å; H55-F182 AromaticContact NE2-CE2 3.77Å; H55-Y202 AromaticContact CE1-CD1 3.58Å; H55-Y202 AromaticContact CE1-CE1 3.41Å; H55-Y202 VanDerWaalsContact CE1-CE1 3.41Å; H55-Y202 WeakPolarHBondContact CE1-CE1 3.3Å; H55-Y202 AromaticContact CE1-CZ 3.7Å; H55-Y202 AromaticContact ND1-CE1 3.93Å; H55-Y202 AromaticContact NE2-CE1 3.82Å; H55-Y202 AromaticContact NE2-CZ 3.63Å
56	K	91.7	Very high	88.6	Confident	31 Å²	31	60.3 Å²	60.3	14%	0.135	31%	0.305	C	S	.	.			trans	-138.7	142.6	178.9	-62.8	-66.4	170.7	-77.6	0	110.5	D39 S42 D47 T53 T54 M60	D39-K56 HydrophobicContact CB-CD 3.79Å; D39-K56 WeakPolarHBondContact O-CE 3.48Å; D39-K56 WeakPolarHBondContact OD1-CA 3.12Å; D39-K56 WeakPolarHBondContact OD1-CD 3.32Å; S42-K56 VanDerWaalsContact OG-CE 3.29Å; S42-K56 WeakPolarHBondContact OG-CE 3.34Å; S42-K56 PolarHBondContact OG-NZ 3.44Å; D47-K56 IonicContact OD1-NZ 3.7Å; D47-K56 PolarHBondContact OD1-NZ 2.71Å; D47-K56 WeakPolarHBondContact OD2-CE 3.23Å; D47-K56 IonicContact OD2-NZ 2.76Å; D47-K56 PolarHBondContact OD2-NZ 3.26Å; T53-K56 HydrophobicContact CG2-CG 4.29Å; T54-K56 PolarHBondContact O-NZ 2.74Å; T54-K56 PolarHBondContact OG1-NZ 2.86Å; K56-M60 HydrophobicContact CD-CE 4.41Å; K56-M60 HydrophobicContact CD-SD 4.48Å
57	M	88.5	Confident	88.4	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.015	34%	0.339	C	S	.	.	S	Bend	trans	-88.9	-32	-177.4	-74.1	-59.2	-52.6	0	0	113.1	A35 D39 F174 L175 N180 F182 L195 L197	A35-M57 HydrophobicContact CB-CB 3.75Å; A35-M57 HydrophobicContact CB-CG 4.34Å; D39-M57 PolarHBondContact OD1-N 2.94Å; D39-M57 PolarHBondContact OD2-N 3.15Å; M57-F174 HydrophobicContact CB-CZ 4.29Å; M57-F174 HydrophobicContact CE-CE1 3.57Å; M57-F174 HydrophobicContact CE-CZ 4.1Å; M57-F174 WeakPolarHBondContact O-CZ 3.46Å; M57-L175 HydrophobicContact CE-CD2 4.21Å; M57-N180 HydrophobicContact CE-CB 3.95Å; M57-N180 WeakPolarHBondContact CE-O 3.22Å; M57-N180 WeakPolarHBondContact O-CB 3.38Å; M57-N180 PolarHBondContact O-ND2 3.11Å; M57-N180 HydrophobicContact SD-CB 4.16Å; M57-F182 HydrophobicContact CG-CE1 4.39Å; M57-F182 HydrophobicContact CG-CZ 3.97Å; M57-F182 HydrophobicContact SD-CD1 4.46Å; M57-F182 HydrophobicContact SD-CE1 3.52Å; M57-F182 VanDerWaalsContact SD-CE1 3.52Å; M57-F182 HydrophobicContact SD-CE2 4.25Å; M57-F182 HydrophobicContact SD-CZ 3.39Å; M57-F182 WeakPolarHBondContact SD-CZ 3.49Å; M57-L195 HydrophobicContact CE-CD1 3.42Å; M57-L195 VanDerWaalsContact CE-CD1 3.42Å; M57-L195 HydrophobicContact CE-CD2 3.86Å; M57-L195 HydrophobicContact CE-CG 4.29Å; M57-L195 HydrophobicContact SD-CD1 3.73Å; M57-L197 HydrophobicContact CG-CD1 4.03Å; M57-L197 HydrophobicContact CG-CD2 3.71Å; M57-L197 HydrophobicContact SD-CD2 4.05Å
58	T	86.3	Confident	88.3	Confident	38 Å²	38	70 Å²	70	23%	0.233	34%	0.343	C	S	.	.	S	Bend	trans	-105.1	164	-178.5	73.1	0	0	0	0	111.3	A35 E36 D39 M60 F174	A35-T58 HydrophobicContact CB-CG2 4.23Å; E36-T58 HydrophobicContact CG-CG2 4.21Å; D39-T58 WeakPolarHBondContact OD2-CA 3.18Å; D39-T58 VanDerWaalsContact OD2-CB 3.27Å; D39-T58 WeakPolarHBondContact OD2-CB 3.4Å; D39-T58 WeakPolarHBondContact OD2-CG2 3.25Å; D39-T58 PolarHBondContact OD2-N 2.78Å; D39-T58 PolarHBondContact OD2-OG1 3.18Å; T58-M60 PolarHBondContact O-N 3.09Å; T58-M60 PolarHBondContact OG1-N 3.13Å; T58-F174 HydrophobicContact CG2-CZ 4.48Å
59	D	79.6	Confident	88.2	Confident	85 Å²	85	72.9 Å²	72.9	46%	0.455	36%	0.355	S	S	.	.			trans	-75.3	63.2	165.1	-80.1	-62.9	0	0	0	109.7	K61 K176 K179	D59-K61 PolarHBondContact O-N 3.43Å; D59-K176 IonicContact OD2-NZ 3.88Å; D59-K176 PolarHBondContact OD2-NZ 3.46Å; D59-K179 VanDerWaalsContact OD1-CE 3.3Å; D59-K179 WeakPolarHBondContact OD1-CE 3.37Å; D59-K179 IonicContact OD1-NZ 2.75Å; D59-K179 PolarHBondContact OD1-NZ 3.13Å; D59-K179 IonicContact OD2-NZ 2.71Å
60	M	72.6	Confident	88.1	Confident	57 Å²	57	76.4 Å²	76.4	28%	0.281	37%	0.368	S	S	.	.			trans	-64.7	96	-168.6	-169.7	-169	67.7	0	0	112.1	D39 A43 K56 T58 L62	D39-M60 HydrophobicContact CB-SD 3.97Å; A43-M60 HydrophobicContact CB-CE 4.05Å; A43-M60 HydrophobicContact CB-SD 4.36Å; K56-M60 HydrophobicContact CD-CE 4.41Å; K56-M60 HydrophobicContact CD-SD 4.48Å; T58-M60 PolarHBondContact O-N 3.09Å; T58-M60 PolarHBondContact OG1-N 3.13Å; M60-L62 HydrophobicContact CE-CB 4.26Å; M60-L62 HydrophobicContact CG-CB 3.89Å; M60-L62 PolarHBondContact O-N 3.01Å; M60-L62 HydrophobicContact SD-CB 4.13Å; M60-L62 HydrophobicContact SD-CD2 4.47Å
61	K	70.4	Confident	88.2	Confident	206 Å²	206	80.4 Å²	80.4	90%	0.896	38%	0.384	S	S	*	.			trans	-68	6.8	179.1	-57.7	-170.3	179.3	-174.7	0	115.1	D59 R63	D59-K61 PolarHBondContact O-N 3.43Å; K61-R63 PolarHBondContact O-N 2.7Å; K61-R63 VanDerWaalsContact O-N 3.1Å
62	L	76.2	Confident	88.3	Confident	53 Å²	53	77.3 Å²	77.3	28%	0.277	35%	0.351	S	S	.	.			trans	-80.3	88.6	-174.7	-177.2	60.2	0	0	0	111.8	L40 M60 I64 I98	L40-L62 HydrophobicContact CD1-CD2 3.63Å; M60-L62 HydrophobicContact CE-CB 4.26Å; M60-L62 HydrophobicContact CG-CB 3.89Å; M60-L62 PolarHBondContact O-N 3.01Å; M60-L62 HydrophobicContact SD-CB 4.13Å; M60-L62 HydrophobicContact SD-CD2 4.47Å; L62-I64 HydrophobicContact CD2-CD1 4.49Å; L62-I64 HydrophobicContact CD2-CG1 4.39Å; L62-I64 HydrophobicContact CG-CG1 4.03Å; L62-I64 PolarHBondContact O-N 3.08Å; L62-I64 VanDerWaalsContact O-N 3.08Å; L62-I98 HydrophobicContact CD2-CG2 4.12Å
63	R	82.7	Confident	88.6	Confident	233 Å²	233	81.7 Å²	81.7	88%	0.879	37%	0.367	S	S	*	.			trans	-77.2	88.3	175	-172.6	179.8	178.6	101.7	-3.8	111.2	K61 P65	K61-R63 PolarHBondContact O-N 2.7Å; K61-R63 VanDerWaalsContact O-N 3.1Å; R63-P65 VanDerWaalsContact O-CD 3.3Å; R63-P65 WeakPolarHBondContact O-CD 3.45Å
64	I	89.1	Confident	88.8	Confident	19 Å²	19	81.1 Å²	81.1	10%	0.097	36%	0.36	C	S	.	.			trans	-68.4	119.5	175.1	-57.2	176.7	0	0	0	110.2	A43 L62 I68 K69 F72 I98	A43-I64 HydrophobicContact CB-CD1 3.91Å; L62-I64 HydrophobicContact CD2-CD1 4.49Å; L62-I64 HydrophobicContact CD2-CG1 4.39Å; L62-I64 HydrophobicContact CG-CG1 4.03Å; L62-I64 PolarHBondContact O-N 3.08Å; L62-I64 VanDerWaalsContact O-N 3.08Å; I64-I68 HydrophobicContact CG2-CB 4.27Å; I64-K69 HydrophobicContact CB-CG 4.36Å; I64-K69 HydrophobicContact CG2-CG 3.78Å; I64-K69 WeakPolarHBondContact O-CE 3.01Å; I64-F72 HydrophobicContact CD1-CE2 4.31Å; I64-F72 HydrophobicContact CG2-CD2 4.43Å; I64-F72 HydrophobicContact CG2-CE2 3.99Å; I64-I98 HydrophobicContact CD1-CG2 4.32Å; I64-I98 HydrophobicContact CG1-CG2 4.41Å; I64-I98 HydrophobicContact CG2-CD1 4.11Å
65	P	91.3	Very high	89.1	Confident	68 Å²	68	81.5 Å²	81.5	44%	0.442	36%	0.362	S	S	.	.			trans	-65.3	147.6	178.6	-21.9	33.7	0	0	0	113.4	R63 R67 I68 K69	R63-P65 VanDerWaalsContact O-CD 3.3Å; R63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-R67 PolarHBondContact O-N 2.84Å; P65-R67 VanDerWaalsContact O-N 3.17Å; P65-I68 HydrophobicContact CB-CG1 4.47Å; P65-I68 HydrophobicContact CG-CD1 4.25Å; P65-I68 WeakPolarHBondContact O-CA 3.07Å; P65-I68 PolarHBondContact O-N 2.8Å; P65-K69 PolarHBondContact O-N 3.3Å
66	E	90.9	Very high	89.5	Confident	98 Å²	98	79 Å²	79	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-22.2	-175	-161.5	52	-119.7	0	0	114.1	I68 K69 R70	E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.32Å; E66-K69 WeakPolarHBondContact OE2-CD 3.46Å; E66-K69 VanDerWaalsContact OE2-CE 3.31Å; E66-K69 WeakPolarHBondContact OE2-CE 3.18Å; E66-K69 IonicContact OE2-NZ 2.69Å; E66-K69 PolarHBondContact OE2-NZ 2.81Å; E66-R70 WeakPolarHBondContact O-CG 3.3Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 PolarHBondContact O-NE 3.36Å
67	R	92.7	Very high	89.7	Confident	189 Å²	189	79.2 Å²	79.2	71%	0.713	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-28.5	168.7	179	172.3	169.5	81.5	-5	112.3	P65	P65-R67 PolarHBondContact O-N 2.84Å; P65-R67 VanDerWaalsContact O-N 3.17Å
68	I	93.1	Very high	90.1	Very high	26 Å²	26	82.2 Å²	82.2	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-94.1	-36.3	-178.1	-50	-178.2	0	0	0	111.1	I64 P65 E66 R70 K71 F72 I98	I64-I68 HydrophobicContact CG2-CB 4.27Å; P65-I68 HydrophobicContact CB-CG1 4.47Å; P65-I68 HydrophobicContact CG-CD1 4.25Å; P65-I68 WeakPolarHBondContact O-CA 3.07Å; P65-I68 PolarHBondContact O-N 2.8Å; E66-I68 VanDerWaalsContact C-N 3.26Å; E66-I68 PolarHBondContact O-N 3.32Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 3.42Å; I68-K71 WeakPolarHBondContact O-CA 3.34Å; I68-K71 WeakPolarHBondContact O-CB 3.34Å; I68-K71 PolarHBondContact O-N 3.24Å; I68-F72 HydrophobicContact CG2-CD2 4.31Å; I68-F72 HydrophobicContact CG2-CE1 4.06Å; I68-F72 HydrophobicContact CG2-CE2 3.77Å; I68-F72 HydrophobicContact CG2-CZ 3.64Å; I68-F72 PolarHBondContact O-N 2.81Å; I68-I98 HydrophobicContact CB-CD1 4.28Å; I68-I98 HydrophobicContact CD1-CD1 3.99Å; I68-I98 HydrophobicContact CG2-CD1 3.6Å
69	K	94	Very high	90.7	Very high	67 Å²	67	80.4 Å²	80.4	29%	0.291	36%	0.36	S	S	.	.	H	α-helix	trans	-53.6	-44.1	167.7	-62.5	-165.8	-151.8	148.9	0	111.7	P48 I64 P65 E66 K71 F72 R73	P48-K69 HydrophobicContact CB-CB 4.34Å; P48-K69 WeakPolarHBondContact CB-O 3.48Å; I64-K69 HydrophobicContact CB-CG 4.36Å; I64-K69 HydrophobicContact CG2-CG 3.78Å; I64-K69 WeakPolarHBondContact O-CE 3.01Å; P65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact OE2-CD 3.46Å; E66-K69 VanDerWaalsContact OE2-CE 3.31Å; E66-K69 WeakPolarHBondContact OE2-CE 3.18Å; E66-K69 IonicContact OE2-NZ 2.69Å; E66-K69 PolarHBondContact OE2-NZ 2.81Å; K69-K71 PolarHBondContact O-N 2.86Å; K69-F72 PolarHBondContact O-N 3.08Å; K69-F72 VanDerWaalsContact O-N 3.13Å; K69-R73 PolarHBondContact O-N 3.33Å
70	R	95.3	Very high	91.5	Very high	150 Å²	150	79.3 Å²	79.3	57%	0.566	35%	0.352	S	S	*	.	H	α-helix	trans	-57.6	-44.5	173.4	-77	-176.8	-75.7	174.2	-7.8	113	E66 I68 F72 R73 D74	E66-R70 WeakPolarHBondContact O-CG 3.3Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 PolarHBondContact O-NE 3.36Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 3.42Å; R70-F72 PolarHBondContact O-N 2.84Å; R70-R73 WeakPolarHBondContact O-CB 3.28Å; R70-R73 PolarHBondContact O-N 3.46Å; R70-D74 PolarHBondContact O-N 2.86Å
71	K	96.5	Very high	92.6	Very high	108 Å²	108	83.6 Å²	83.6	47%	0.47	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-46	172.2	-68.3	179.1	176.2	-177.6	0	112	I68 K69 D74 I75	I68-K71 WeakPolarHBondContact O-CA 3.34Å; I68-K71 WeakPolarHBondContact O-CB 3.34Å; I68-K71 PolarHBondContact O-N 3.24Å; K69-K71 PolarHBondContact O-N 2.86Å; K71-D74 PolarHBondContact O-N 3.2Å; K71-I75 WeakPolarHBondContact O-CD1 3.34Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.14Å; K71-I75 PolarHBondContact O-N 3.46Å
72	F	97.5	Very high	93.7	Very high	4 Å²	4	76.6 Å²	76.6	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-42.8	179.1	-63.8	-31.4	0	0	0	111.8	L44 P48 I64 I68 K69 R70 D74 I75 I76 L92 I98	L44-F72 HydrophobicContact CD2-CD2 4.25Å; L44-F72 HydrophobicContact CD2-CE1 3.99Å; L44-F72 HydrophobicContact CD2-CE2 3.58Å; L44-F72 HydrophobicContact CD2-CZ 3.42Å; L44-F72 VanDerWaalsContact CD2-CZ 3.42Å; P48-F72 HydrophobicContact CB-CB 3.89Å; P48-F72 HydrophobicContact CG-CB 3.85Å; P48-F72 HydrophobicContact CG-CD2 4.18Å; I64-F72 HydrophobicContact CD1-CE2 4.31Å; I64-F72 HydrophobicContact CG2-CD2 4.43Å; I64-F72 HydrophobicContact CG2-CE2 3.99Å; I68-F72 HydrophobicContact CG2-CD2 4.31Å; I68-F72 HydrophobicContact CG2-CE1 4.06Å; I68-F72 HydrophobicContact CG2-CE2 3.77Å; I68-F72 HydrophobicContact CG2-CZ 3.64Å; I68-F72 PolarHBondContact O-N 2.81Å; K69-F72 PolarHBondContact O-N 3.08Å; K69-F72 VanDerWaalsContact O-N 3.13Å; R70-F72 PolarHBondContact O-N 2.84Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-D74 PolarHBondContact O-N 3.1Å; F72-I75 HydrophobicContact CD1-CD1 4.14Å; F72-I75 WeakPolarHBondContact O-CB 3.36Å; F72-I75 PolarHBondContact O-N 2.79Å; F72-I76 WeakPolarHBondContact O-CG1 3.36Å; F72-I76 PolarHBondContact O-N 2.94Å; F72-L92 HydrophobicContact CB-CD2 4.17Å; F72-L92 HydrophobicContact CD1-CD2 3.72Å; F72-L92 HydrophobicContact CE1-CD2 4.44Å; F72-L92 HydrophobicContact CG-CD2 4.17Å; F72-I98 HydrophobicContact CE2-CD1 3.96Å; F72-I98 HydrophobicContact CE2-CG2 4.47Å; F72-I98 HydrophobicContact CZ-CD1 3.76Å; F72-I98 HydrophobicContact CZ-CG2 4.3Å
73	R	97.3	Very high	94.7	Very high	127 Å²	127	74.8 Å²	74.8	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-45	171.3	-175.5	176.9	172.2	-95.3	11	111.9	P48 K69 R70 I75 I76 C77	P48-R73 HydrophobicContact CB-CB 4.43Å; P48-R73 WeakPolarHBondContact O-CB 3.32Å; P48-R73 WeakPolarHBondContact O-CD 3.44Å; K69-R73 PolarHBondContact O-N 3.33Å; R70-R73 WeakPolarHBondContact O-CB 3.28Å; R70-R73 PolarHBondContact O-N 3.46Å; R73-I75 PolarHBondContact O-N 3.4Å; R73-I76 PolarHBondContact O-N 3.23Å; R73-C77 WeakPolarHBondContact O-CB 3.34Å; R73-C77 PolarHBondContact O-N 3Å; R73-C77 PolarHBondContact O-SG 3.32Å; R73-C77 VanDerWaalsContact O-SG 3.37Å
74	D	97.4	Very high	95.3	Very high	82 Å²	82	65.1 Å²	65.1	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-36.9	177.5	-64.5	-28.2	0	0	0	112.2	R70 K71 F72 C77 N78	R70-D74 PolarHBondContact O-N 2.86Å; K71-D74 PolarHBondContact O-N 3.2Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-D74 PolarHBondContact O-N 3.1Å; D74-C77 PolarHBondContact O-N 2.62Å; D74-N78 VanDerWaalsContact O-CB 3.3Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 VanDerWaalsContact O-CG 3.23Å; D74-N78 PolarHBondContact O-N 2.83Å; D74-N78 PolarHBondContact O-ND2 3.47Å; D74-N78 VanDerWaalsContact O-ND2 3.08Å
75	I	98.3	Very high	95.6	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-46.3	173.2	-68.4	156.6	0	0	0	110.6	K71 F72 R73 N78 F79 Q91 L92	K71-I75 WeakPolarHBondContact O-CD1 3.34Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.14Å; K71-I75 PolarHBondContact O-N 3.46Å; F72-I75 HydrophobicContact CD1-CD1 4.14Å; F72-I75 WeakPolarHBondContact O-CB 3.36Å; F72-I75 PolarHBondContact O-N 2.79Å; R73-I75 PolarHBondContact O-N 3.4Å; I75-N78 PolarHBondContact O-N 2.99Å; I75-F79 WeakPolarHBondContact O-CB 3.46Å; I75-F79 PolarHBondContact O-N 2.95Å; I75-Q91 HydrophobicContact CD1-CB 3.74Å; I75-Q91 HydrophobicContact CG1-CB 3.93Å; I75-Q91 HydrophobicContact CG2-CB 3.96Å; I75-L92 HydrophobicContact CB-CD2 4.32Å; I75-L92 HydrophobicContact CD1-CD2 4.4Å; I75-L92 HydrophobicContact CG2-CD2 3.96Å; I75-L92 HydrophobicContact CG2-CG 4.03Å
76	I	97.9	Very high	95.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-46.7	175.5	-63.2	-61.4	0	0	0	111.1	T45 Y49 F72 R73 N78 F79 Q80 L92 L117 F120	T45-I76 HydrophobicContact CG2-CD1 4.19Å; Y49-I76 HydrophobicContact CD2-CG2 3.7Å; Y49-I76 HydrophobicContact CE2-CG2 4.31Å; Y49-I76 HydrophobicContact CG-CG2 4.37Å; F72-I76 WeakPolarHBondContact O-CG1 3.36Å; F72-I76 PolarHBondContact O-N 2.94Å; R73-I76 PolarHBondContact O-N 3.23Å; I76-N78 PolarHBondContact O-N 2.78Å; I76-F79 WeakPolarHBondContact O-CB 3.48Å; I76-F79 PolarHBondContact O-N 2.96Å; I76-Q80 WeakPolarHBondContact O-CG 3.17Å; I76-Q80 PolarHBondContact O-N 2.69Å; I76-L92 HydrophobicContact CD1-CD1 4.43Å; I76-L117 HydrophobicContact CD1-CD2 3.76Å; I76-F120 HydrophobicContact CD1-CD2 4.09Å; I76-F120 HydrophobicContact CD1-CE2 4.13Å; I76-F120 HydrophobicContact CG2-CB 4.03Å; I76-F120 HydrophobicContact CG2-CD1 3.69Å; I76-F120 HydrophobicContact CG2-CD2 3.94Å; I76-F120 HydrophobicContact CG2-CE1 4.14Å; I76-F120 HydrophobicContact CG2-CE2 4.37Å; I76-F120 HydrophobicContact CG2-CG 3.58Å; I76-F120 HydrophobicContact CG2-CZ 4.45Å
77	C	96.9	Very high	96.1	Very high	35 Å²	35	62.8 Å²	62.8	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-23.6	177	-72.1	0	0	0	0	113.6	R73 D74 K81	R73-C77 WeakPolarHBondContact O-CB 3.34Å; R73-C77 PolarHBondContact O-N 3Å; R73-C77 PolarHBondContact O-SG 3.32Å; R73-C77 VanDerWaalsContact O-SG 3.37Å; D74-C77 PolarHBondContact O-N 2.62Å; C77-K81 VanDerWaalsContact O-CE 3.23Å; C77-K81 WeakPolarHBondContact O-CE 3.39Å
78	N	97.1	Very high	96.3	Very high	65 Å²	65	53.8 Å²	53.8	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-83.9	-39.8	171.3	-74.2	-33.4	0	0	0	112	D74 I75 I76 Q80 K81 H82	D74-N78 VanDerWaalsContact O-CB 3.3Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 VanDerWaalsContact O-CG 3.23Å; D74-N78 PolarHBondContact O-N 2.83Å; D74-N78 PolarHBondContact O-ND2 3.47Å; D74-N78 VanDerWaalsContact O-ND2 3.08Å; I75-N78 PolarHBondContact O-N 2.99Å; I76-N78 PolarHBondContact O-N 2.78Å; N78-Q80 PolarHBondContact O-N 2.94Å; N78-K81 WeakPolarHBondContact O-CA 3.27Å; N78-K81 WeakPolarHBondContact O-CB 3.35Å; N78-K81 PolarHBondContact O-N 3Å; N78-K81 PolarHBondContact OD1-NZ 3.25Å; N78-H82 PolarHBondContact O-CD2 3.37Å; N78-H82 PolarHBondContact O-N 2.82Å
79	F	97.7	Very high	96.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.5	-40.5	170.7	168.1	-98.5	0	0	0	111.6	I75 I76 K81 H82 K83 Y85 A88 L117 F120 D121	I75-F79 WeakPolarHBondContact O-CB 3.46Å; I75-F79 PolarHBondContact O-N 2.95Å; I76-F79 WeakPolarHBondContact O-CB 3.48Å; I76-F79 PolarHBondContact O-N 2.96Å; F79-K81 PolarHBondContact O-N 3.11Å; F79-H82 PolarHBondContact N-NE2 3.22Å; F79-H82 PolarHBondContact O-N 3.29Å; F79-K83 WeakPolarHBondContact O-CA 3.19Å; F79-K83 PolarHBondContact O-N 3.33Å; F79-Y85 HydrophobicContact CE2-CD1 4.02Å; F79-Y85 AromaticContact CE2-CD2 3.97Å; F79-Y85 HydrophobicContact CE2-CD2 3.97Å; F79-Y85 HydrophobicContact CE2-CE1 4.11Å; F79-Y85 HydrophobicContact CE2-CE2 4.02Å; F79-Y85 AromaticContact CE2-CG 3.96Å; F79-Y85 HydrophobicContact CE2-CG 3.96Å; F79-Y85 HydrophobicContact CZ-CD1 4.04Å; F79-Y85 HydrophobicContact CZ-CD2 4.34Å; F79-Y85 AromaticContact CZ-CE1 3.68Å; F79-Y85 HydrophobicContact CZ-CE1 3.68Å; F79-Y85 AromaticContact CZ-CE2 3.96Å; F79-Y85 HydrophobicContact CZ-CE2 3.96Å; F79-Y85 HydrophobicContact CZ-CG 4.37Å; F79-Y85 AromaticContact CZ-CZ 3.62Å; F79-A88 HydrophobicContact CB-CB 3.92Å; F79-A88 HydrophobicContact CD2-CB 3.64Å; F79-A88 HydrophobicContact CG-CB 3.99Å; F79-L117 HydrophobicContact CD1-CD2 4.12Å; F79-L117 HydrophobicContact CE1-CB 4.21Å; F79-L117 HydrophobicContact CE1-CD2 4.27Å; F79-L117 VanDerWaalsContact CE1-O 3.25Å; F79-L117 WeakPolarHBondContact CE1-O 3.45Å; F79-L117 HydrophobicContact CG-CD2 4.25Å; F79-L117 HydrophobicContact CZ-CB 4.02Å; F79-F120 HydrophobicContact CD1-CB 4.15Å; F79-F120 HydrophobicContact CE1-CB 4.15Å; F79-D121 HydrophobicContact CE1-CB 4.19Å; F79-D121 HydrophobicContact CZ-CB 4.16Å
80	Q	96	Very high	96.6	Very high	63 Å²	63	54 Å²	54	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-53.8	-25.8	172.4	-78.2	-176.6	-33.8	0	0	113.7	Y49 I76 N78 K83 F120	Y49-Q80 PolarHBondContact OH-NE2 3.26Å; I76-Q80 WeakPolarHBondContact O-CG 3.17Å; I76-Q80 PolarHBondContact O-N 2.69Å; N78-Q80 PolarHBondContact O-N 2.94Å; Q80-K83 WeakPolarHBondContact O-CE 3.4Å; Q80-K83 PolarHBondContact O-NZ 2.75Å; Q80-F120 HydrophobicContact CG-CB 4Å; Q80-F120 WeakPolarHBondContact CG-O 3.32Å
81	K	95.6	Very high	96.7	Very high	146 Å²	146	51 Å²	51	64%	0.635	25%	0.251	S	S	*	.	H	α-helix	trans	-91.8	-51	177	-53.3	163.2	-166.8	160.1	0	112.1	C77 N78 F79	C77-K81 VanDerWaalsContact O-CE 3.23Å; C77-K81 WeakPolarHBondContact O-CE 3.39Å; N78-K81 WeakPolarHBondContact O-CA 3.27Å; N78-K81 WeakPolarHBondContact O-CB 3.35Å; N78-K81 PolarHBondContact O-N 3Å; N78-K81 PolarHBondContact OD1-NZ 3.25Å; F79-K81 PolarHBondContact O-N 3.11Å
82	H	94.9	Very high	96.7	Very high	59 Å²	59	45.9 Å²	45.9	27%	0.273	23%	0.229	S	C	.	.	H	α-helix	trans	-92.3	-14	-170.1	68.8	74.7	0	0	0	114.9	N18 N78 F79 C84	N18-H82 PolarHBondContact ND2-O 3.15Å; N78-H82 PolarHBondContact O-CD2 3.37Å; N78-H82 PolarHBondContact O-N 2.82Å; F79-H82 PolarHBondContact N-NE2 3.22Å; F79-H82 PolarHBondContact O-N 3.29Å; H82-C84 PolarHBondContact CE1-O 3.39Å; H82-C84 VanDerWaalsContact ND1-CB 3.35Å; H82-C84 WeakPolarHBondContact ND1-CB 3.47Å; H82-C84 PolarHBondContact ND1-N 2.65Å; H82-C84 VanDerWaalsContact ND1-N 3.13Å; H82-C84 PolarHBondContact O-N 3.31Å
83	K	95.8	Very high	96.7	Very high	15 Å²	15	47 Å²	47	7%	0.065	24%	0.235	C	C	.	.			trans	54	22.1	176.1	-50.3	-51.5	-158.2	-167.3	0	116.3	V14 N18 F79 Q80 D121 D122	V14-K83 HydrophobicContact CG1-CB 4.46Å; V14-K83 HydrophobicContact CG1-CG 4.27Å; N18-K83 HydrophobicContact CB-CB 4.46Å; N18-K83 WeakPolarHBondContact CB-O 3.32Å; F79-K83 WeakPolarHBondContact O-CA 3.19Å; F79-K83 PolarHBondContact O-N 3.33Å; Q80-K83 WeakPolarHBondContact O-CE 3.4Å; Q80-K83 PolarHBondContact O-NZ 2.75Å; K83-D121 WeakPolarHBondContact CD-OD1 3.35Å; K83-D121 WeakPolarHBondContact CE-OD1 3.4Å; K83-D121 IonicContact NZ-OD1 3.03Å; K83-D122 WeakPolarHBondContact CE-OD1 3.44Å; K83-D122 IonicContact NZ-OD1 2.61Å; K83-D122 PolarHBondContact NZ-OD1 3.15Å
84	C	96	Very high	96.5	Very high	31 Å²	31	44.4 Å²	44.4	21%	0.209	24%	0.24	C	C	.	.			trans	-98.3	110.2	-178	-174.5	0	0	0	0	109.7	H82 A87 A88	H82-C84 PolarHBondContact CE1-O 3.39Å; H82-C84 VanDerWaalsContact ND1-CB 3.35Å; H82-C84 WeakPolarHBondContact ND1-CB 3.47Å; H82-C84 PolarHBondContact ND1-N 2.65Å; H82-C84 VanDerWaalsContact ND1-N 3.13Å; H82-C84 PolarHBondContact O-N 3.31Å; C84-A87 HydrophobicContact CB-CB 3.96Å; C84-A88 PolarHBondContact O-N 3.4Å; C84-A88 VanDerWaalsContact O-N 3.15Å
85	Y	96	Very high	96.3	Very high	18 Å²	18	42 Å²	42	7%	0.071	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-46.1	-174.5	-71.8	-99.6	0	0	0	111.8	P21 F79 A87 A88 Y89 T114 L117 L118 D121	P21-Y85 VanDerWaalsContact CD-CE2 3.41Å; P21-Y85 VanDerWaalsContact CD-CZ 3.44Å; P21-Y85 HydrophobicContact CG-CD1 3.98Å; P21-Y85 HydrophobicContact CG-CD2 4.28Å; P21-Y85 HydrophobicContact CG-CE1 3.8Å; P21-Y85 HydrophobicContact CG-CE2 4.17Å; P21-Y85 HydrophobicContact CG-CG 4.21Å; F79-Y85 HydrophobicContact CE2-CD1 4.02Å; F79-Y85 AromaticContact CE2-CD2 3.97Å; F79-Y85 HydrophobicContact CE2-CD2 3.97Å; F79-Y85 HydrophobicContact CE2-CE1 4.11Å; F79-Y85 HydrophobicContact CE2-CE2 4.02Å; F79-Y85 AromaticContact CE2-CG 3.96Å; F79-Y85 HydrophobicContact CE2-CG 3.96Å; F79-Y85 HydrophobicContact CZ-CD1 4.04Å; F79-Y85 HydrophobicContact CZ-CD2 4.34Å; F79-Y85 AromaticContact CZ-CE1 3.68Å; F79-Y85 HydrophobicContact CZ-CE1 3.68Å; F79-Y85 AromaticContact CZ-CE2 3.96Å; F79-Y85 HydrophobicContact CZ-CE2 3.96Å; F79-Y85 HydrophobicContact CZ-CG 4.37Å; F79-Y85 AromaticContact CZ-CZ 3.62Å; Y85-A87 PolarHBondContact O-N 2.91Å; Y85-A88 PolarHBondContact O-N 2.87Å; Y85-Y89 WeakPolarHBondContact O-CB 3.39Å; Y85-Y89 PolarHBondContact O-N 3.04Å; Y85-T114 HydrophobicContact CD1-CG2 3.85Å; Y85-T114 HydrophobicContact CE1-CG2 4.37Å; Y85-L117 HydrophobicContact CD1-CB 3.72Å; Y85-L117 HydrophobicContact CD1-CD1 3.96Å; Y85-L117 HydrophobicContact CE1-CB 3.7Å; Y85-L118 HydrophobicContact CE1-CD2 4.36Å; Y85-L118 HydrophobicContact CE1-CG 4.46Å; Y85-L118 WeakPolarHBondContact OH-CD2 3.48Å; Y85-D121 VanDerWaalsContact OH-CB 3.25Å; Y85-D121 WeakPolarHBondContact OH-CB 3.43Å; Y85-D121 PolarHBondContact OH-OD2 3.45Å
86	D	95.1	Very high	95.9	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-43.7	177.3	-60.5	-84.8	0	0	0	112.7	A88 Y89 N90 K110	D86-A88 VanDerWaalsContact C-N 3.31Å; D86-A88 PolarHBondContact O-N 2.76Å; D86-Y89 PolarHBondContact O-N 2.7Å; D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.41Å; D86-N90 PolarHBondContact O-N 2.74Å; D86-N90 PolarHBondContact O-ND2 3.04Å; D86-N90 PolarHBondContact O-OD1 3.12Å; D86-K110 WeakPolarHBondContact OD1-CE 3.4Å; D86-K110 IonicContact OD1-NZ 2.78Å; D86-K110 PolarHBondContact OD1-NZ 3.05Å
87	A	96.5	Very high	95.5	Very high	37 Å²	37	52 Å²	52	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-35.5	177.9	0	0	0	0	0	112.2	C84 Y85 Q91	C84-A87 HydrophobicContact CB-CB 3.96Å; Y85-A87 PolarHBondContact O-N 2.91Å; A87-Q91 WeakPolarHBondContact O-CG 3.36Å; A87-Q91 PolarHBondContact O-N 2.86Å; A87-Q91 PolarHBondContact O-NE2 2.9Å
88	A	97.7	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.5	-50.2	175	0	0	0	0	0	111.4	F79 C84 Y85 D86 N90 Q91 L92 L117	F79-A88 HydrophobicContact CB-CB 3.92Å; F79-A88 HydrophobicContact CD2-CB 3.64Å; F79-A88 HydrophobicContact CG-CB 3.99Å; C84-A88 PolarHBondContact O-N 3.4Å; C84-A88 VanDerWaalsContact O-N 3.15Å; Y85-A88 PolarHBondContact O-N 2.87Å; D86-A88 VanDerWaalsContact C-N 3.31Å; D86-A88 PolarHBondContact O-N 2.76Å; A88-N90 PolarHBondContact O-N 3.47Å; A88-Q91 PolarHBondContact O-N 2.64Å; A88-Q91 VanDerWaalsContact O-N 3.16Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.93Å; A88-L117 HydrophobicContact CB-CD1 4.03Å; A88-L117 HydrophobicContact CB-CD2 4.12Å
89	Y	97.3	Very high	95.1	Very high	8 Å²	8	47.9 Å²	47.9	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-53.4	-53.4	177.1	174.8	-102.8	0	0	0	111.6	Y85 D86 Q91 L92 I93 F109 K110 V113	Y85-Y89 WeakPolarHBondContact O-CB 3.39Å; Y85-Y89 PolarHBondContact O-N 3.04Å; D86-Y89 PolarHBondContact O-N 2.7Å; Y89-Q91 PolarHBondContact O-N 2.85Å; Y89-L92 PolarHBondContact O-N 3.33Å; Y89-I93 HydrophobicContact CD1-CD1 4.24Å; Y89-I93 HydrophobicContact CD1-CG1 4.43Å; Y89-I93 HydrophobicContact CD2-CG2 4.15Å; Y89-I93 HydrophobicContact CE1-CD1 3.53Å; Y89-I93 HydrophobicContact CE1-CG1 4.11Å; Y89-I93 HydrophobicContact CE1-CG2 4.37Å; Y89-I93 HydrophobicContact CE2-CG2 3.62Å; Y89-I93 WeakPolarHBondContact O-CG1 3.49Å; Y89-I93 PolarHBondContact O-N 2.95Å; Y89-F109 HydrophobicContact CE2-CD1 4.25Å; Y89-F109 HydrophobicContact CE2-CE1 4.35Å; Y89-K110 HydrophobicContact CD1-CD 3.94Å; Y89-K110 HydrophobicContact CD1-CG 3.86Å; Y89-K110 HydrophobicContact CD2-CB 4.46Å; Y89-K110 HydrophobicContact CD2-CG 4.06Å; Y89-K110 HydrophobicContact CE1-CB 4.03Å; Y89-K110 HydrophobicContact CE1-CD 3.79Å; Y89-K110 HydrophobicContact CE1-CG 3.72Å; Y89-K110 HydrophobicContact CE2-CB 3.86Å; Y89-K110 HydrophobicContact CE2-CG 3.93Å; Y89-K110 HydrophobicContact CG-CG 4.03Å; Y89-V113 HydrophobicContact CD2-CB 3.93Å; Y89-V113 HydrophobicContact CD2-CG1 3.93Å; Y89-V113 HydrophobicContact CD2-CG2 4.41Å; Y89-V113 HydrophobicContact CE2-CB 4.21Å; Y89-V113 HydrophobicContact CE2-CG2 4.28Å
90	N	96.7	Very high	94.8	Very high	90 Å²	90	55 Å²	55	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-31.2	-179	-68.6	-7.6	0	0	0	112.9	D86 A88 A94	D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.41Å; D86-N90 PolarHBondContact O-N 2.74Å; D86-N90 PolarHBondContact O-ND2 3.04Å; D86-N90 PolarHBondContact O-OD1 3.12Å; A88-N90 PolarHBondContact O-N 3.47Å; N90-A94 WeakPolarHBondContact O-CB 3.46Å; N90-A94 PolarHBondContact O-N 3.47Å
91	Q	97.1	Very high	94.5	Very high	87 Å²	87	61.9 Å²	61.9	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-78.5	-33.9	175.1	-75.2	174.1	91.6	0	0	112.8	I75 A87 A88 Y89 A94	I75-Q91 HydrophobicContact CD1-CB 3.74Å; I75-Q91 HydrophobicContact CG1-CB 3.93Å; I75-Q91 HydrophobicContact CG2-CB 3.96Å; A87-Q91 WeakPolarHBondContact O-CG 3.36Å; A87-Q91 PolarHBondContact O-N 2.86Å; A87-Q91 PolarHBondContact O-NE2 2.9Å; A88-Q91 PolarHBondContact O-N 2.64Å; A88-Q91 VanDerWaalsContact O-N 3.16Å; Y89-Q91 PolarHBondContact O-N 2.85Å; Q91-A94 WeakPolarHBondContact O-CB 3.48Å
92	L	97	Very high	94.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-38.5	176.2	-67.6	172.2	0	0	0	111.9	L44 T45 F72 I75 I76 A88 Y89 A94 V113 L117	L44-L92 WeakPolarHBondContact O-CD2 3.37Å; T45-L92 HydrophobicContact CG2-CD1 3.75Å; F72-L92 HydrophobicContact CB-CD2 4.17Å; F72-L92 HydrophobicContact CD1-CD2 3.72Å; F72-L92 HydrophobicContact CE1-CD2 4.44Å; F72-L92 HydrophobicContact CG-CD2 4.17Å; I75-L92 HydrophobicContact CB-CD2 4.32Å; I75-L92 HydrophobicContact CD1-CD2 4.4Å; I75-L92 HydrophobicContact CG2-CD2 3.96Å; I75-L92 HydrophobicContact CG2-CG 4.03Å; I76-L92 HydrophobicContact CD1-CD1 4.43Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.93Å; Y89-L92 PolarHBondContact O-N 3.33Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 2.85Å; L92-V113 HydrophobicContact CD1-CG1 4.05Å; L92-L117 HydrophobicContact CD1-CD2 4.35Å
93	I	95.9	Very high	94.3	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.138	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.2	177.7	67.9	154.6	0	0	0	114.5	Y89 D95 V99 F109	Y89-I93 HydrophobicContact CD1-CD1 4.24Å; Y89-I93 HydrophobicContact CD1-CG1 4.43Å; Y89-I93 HydrophobicContact CD2-CG2 4.15Å; Y89-I93 HydrophobicContact CE1-CD1 3.53Å; Y89-I93 HydrophobicContact CE1-CG1 4.11Å; Y89-I93 HydrophobicContact CE1-CG2 4.37Å; Y89-I93 HydrophobicContact CE2-CG2 3.62Å; Y89-I93 WeakPolarHBondContact O-CG1 3.49Å; Y89-I93 PolarHBondContact O-N 2.95Å; I93-D95 VanDerWaalsContact C-N 3.26Å; I93-D95 PolarHBondContact O-N 2.93Å; I93-V99 HydrophobicContact CB-CB 4.32Å; I93-V99 HydrophobicContact CB-CG1 4.13Å; I93-V99 HydrophobicContact CB-CG2 4.39Å; I93-V99 HydrophobicContact CG2-CG1 4.01Å; I93-V99 HydrophobicContact CG2-CG2 4.3Å; I93-F109 HydrophobicContact CG2-CE1 4.1Å
94	A	94.3	Very high	94.1	Very high	72 Å²	72	59.5 Å²	59.5	60%	0.595	32%	0.318	S	S	*	.			trans	-70	-15.6	-171.9	0	0	0	0	0	114.9	N90 Q91 L92 P96	N90-A94 WeakPolarHBondContact O-CB 3.46Å; N90-A94 PolarHBondContact O-N 3.47Å; Q91-A94 WeakPolarHBondContact O-CB 3.48Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 2.85Å; A94-P96 WeakPolarHBondContact O-CD 3.37Å
95	D	92.4	Very high	93.9	Very high	31 Å²	31	63 Å²	63	17%	0.166	34%	0.338	C	S	.	.			trans	-101.4	103.8	179.5	-160.8	-41.9	0	0	0	110.8	I93 N97 I98 V99	I93-D95 VanDerWaalsContact C-N 3.26Å; I93-D95 PolarHBondContact O-N 2.93Å; D95-N97 PolarHBondContact O-N 2.93Å; D95-N97 WeakPolarHBondContact OD1-CB 3.31Å; D95-N97 PolarHBondContact OD1-N 3.25Å; D95-N97 VanDerWaalsContact OD1-N 3.17Å; D95-N97 PolarHBondContact OD1-ND2 3.42Å; D95-I98 HydrophobicContact CB-CB 4.45Å; D95-I98 HydrophobicContact CB-CD1 4.28Å; D95-I98 HydrophobicContact CB-CG1 4.43Å; D95-I98 PolarHBondContact O-N 3.18Å; D95-V99 PolarHBondContact O-N 3.33Å
96	P	90.9	Very high	93.8	Very high	93 Å²	93	63.1 Å²	63.1	60%	0.604	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.3	-174.6	29.8	-36.4	0	0	0	113.4	A94 I98	A94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-I98 VanDerWaalsContact C-N 3.28Å
97	N	89.4	Confident	93.7	Very high	135 Å²	135	64.1 Å²	64.1	72%	0.722	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.3	174	-50.3	-78.1	0	0	0	111.7	D95	D95-N97 PolarHBondContact O-N 2.93Å; D95-N97 WeakPolarHBondContact OD1-CB 3.31Å; D95-N97 PolarHBondContact OD1-N 3.25Å; D95-N97 VanDerWaalsContact OD1-N 3.17Å; D95-N97 PolarHBondContact OD1-ND2 3.42Å
98	I	92.4	Very high	93.6	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.062	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-52.1	179.4	-61.8	177	0	0	0	109.8	L40 L44 L62 I64 I68 F72 D95 P96	L40-I98 HydrophobicContact CD1-CG2 4.42Å; L44-I98 HydrophobicContact CD2-CG2 3.94Å; L62-I98 HydrophobicContact CD2-CG2 4.12Å; I64-I98 HydrophobicContact CD1-CG2 4.32Å; I64-I98 HydrophobicContact CG1-CG2 4.41Å; I64-I98 HydrophobicContact CG2-CD1 4.11Å; I68-I98 HydrophobicContact CB-CD1 4.28Å; I68-I98 HydrophobicContact CD1-CD1 3.99Å; I68-I98 HydrophobicContact CG2-CD1 3.6Å; F72-I98 HydrophobicContact CE2-CD1 3.96Å; F72-I98 HydrophobicContact CE2-CG2 4.47Å; F72-I98 HydrophobicContact CZ-CD1 3.76Å; F72-I98 HydrophobicContact CZ-CG2 4.3Å; D95-I98 HydrophobicContact CB-CB 4.45Å; D95-I98 HydrophobicContact CB-CD1 4.28Å; D95-I98 HydrophobicContact CB-CG1 4.43Å; D95-I98 PolarHBondContact O-N 3.18Å; P96-I98 VanDerWaalsContact C-N 3.28Å
99	V	93	Very high	93.5	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	35%	0.348	C	S	.	.	S	Bend	trans	-103.7	93.6	178.8	-172.3	0	0	0	0	109.3	L40 L44 I93 D95 W103 F109	L40-V99 HydrophobicContact CD2-CG1 4.43Å; L40-V99 HydrophobicContact CD2-CG2 4.47Å; L44-V99 HydrophobicContact CD1-CG2 3.81Å; L44-V99 HydrophobicContact CD2-CG2 4.1Å; I93-V99 HydrophobicContact CB-CB 4.32Å; I93-V99 HydrophobicContact CB-CG1 4.13Å; I93-V99 HydrophobicContact CB-CG2 4.39Å; I93-V99 HydrophobicContact CG2-CG1 4.01Å; I93-V99 HydrophobicContact CG2-CG2 4.3Å; D95-V99 PolarHBondContact O-N 3.33Å; V99-W103 HydrophobicContact CG1-CB 3.94Å; V99-F109 HydrophobicContact CG1-CE1 4.16Å
100	K	91.1	Very high	93.4	Very high	150 Å²	150	68.3 Å²	68.3	65%	0.652	36%	0.361	S	S	*	.			trans	-57.2	148.8	177.9	-64.8	-175.4	178.5	-178.6	0	111.4	P102 W103 S104	K100-P102 VanDerWaalsContact C-N 3.33Å; K100-P102 WeakPolarHBondContact O-CD 3.39Å; K100-P102 VanDerWaalsContact O-N 3.08Å; K100-W103 PolarHBondContact O-N 2.94Å; K100-S104 PolarHBondContact O-N 3.37Å
101	R	90.2	Very high	93.2	Very high	207 Å²	207	66.2 Å²	66.2	78%	0.781	35%	0.348	S	S	*	.	H	α-helix	trans	-46.5	-38.8	-175.9	-173.7	172.8	177.7	159.4	-0.3	116.2	W103 S104 V105	R101-W103 VanDerWaalsContact C-N 3.34Å; R101-W103 PolarHBondContact O-N 2.81Å; R101-S104 WeakPolarHBondContact CA-OG 3.32Å; R101-S104 PolarHBondContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 3.04Å; R101-V105 WeakPolarHBondContact O-CG2 3.5Å; R101-V105 PolarHBondContact O-N 3.15Å
102	P	91.6	Very high	93.1	Very high	96 Å²	96	62.1 Å²	62.1	62%	0.623	33%	0.329	S	S	*	.	H	α-helix	trans	-59.4	-42.4	176.3	-25.8	36.3	0	0	0	112.9	K100 D106	K100-P102 VanDerWaalsContact C-N 3.33Å; K100-P102 WeakPolarHBondContact O-CD 3.39Å; K100-P102 VanDerWaalsContact O-N 3.08Å; P102-D106 PolarHBondContact O-N 3.47Å
103	W	93.1	Very high	93	Very high	38 Å²	38	62.1 Å²	62.1	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-75.1	-36.1	180	-71.2	126.3	0	0	0	113	M29 E33 E36 A37 L40 V99 K100 R101 V105 D106 F109	M29-W103 HydrophobicContact SD-CH2 4.49Å; M29-W103 HydrophobicContact SD-CZ3 4.25Å; E33-W103 HydrophobicContact CB-CH2 4.08Å; E33-W103 HydrophobicContact CG-CH2 4.49Å; E33-W103 WeakPolarHBondContact O-CH2 3.44Å; E36-W103 HydrophobicContact CB-CZ2 3.76Å; A37-W103 HydrophobicContact CB-CH2 4.03Å; A37-W103 HydrophobicContact CB-CZ3 4.12Å; L40-W103 HydrophobicContact CD2-CB 4.33Å; L40-W103 HydrophobicContact CD2-CG 4.18Å; V99-W103 HydrophobicContact CG1-CB 3.94Å; K100-W103 PolarHBondContact O-N 2.94Å; R101-W103 VanDerWaalsContact C-N 3.34Å; R101-W103 PolarHBondContact O-N 2.81Å; W103-V105 PolarHBondContact O-N 3.11Å; W103-D106 HydrophobicContact CE3-CB 4.46Å; W103-D106 PolarHBondContact O-N 2.68Å; W103-F109 HydrophobicContact CB-CD1 4.19Å; W103-F109 HydrophobicContact CB-CE1 4.39Å; W103-F109 HydrophobicContact CB-CG 4.41Å; W103-F109 HydrophobicContact CD2-CD2 4.42Å; W103-F109 HydrophobicContact CE3-CB 3.68Å; W103-F109 AromaticContact CE3-CD2 3.94Å; W103-F109 HydrophobicContact CE3-CD2 3.94Å; W103-F109 AromaticContact CE3-CG 3.87Å; W103-F109 HydrophobicContact CE3-CG 3.87Å; W103-F109 HydrophobicContact CZ3-CB 4.12Å; W103-F109 HydrophobicContact CZ3-CD2 4.41Å; W103-F109 VanDerWaalsContact O-CD1 3.26Å; W103-F109 WeakPolarHBondContact O-CD1 3.27Å
104	S	91.5	Very high	93	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-69.9	-16.3	-178.2	62.6	0	0	0	0	114.3	K100 R101	K100-S104 PolarHBondContact O-N 3.37Å; R101-S104 WeakPolarHBondContact CA-OG 3.32Å; R101-S104 PolarHBondContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 3.04Å
105	V	92.8	Very high	93	Very high	103 Å²	103	58.2 Å²	58.2	62%	0.624	30%	0.299	S	S	*	.	H	α-helix	trans	-105.7	-6.8	174.9	-53.3	0	0	0	0	114.4	R101 W103 P107	R101-V105 WeakPolarHBondContact O-CG2 3.5Å; R101-V105 PolarHBondContact O-N 3.15Å; W103-V105 PolarHBondContact O-N 3.11Å; V105-P107 WeakPolarHBondContact O-CD 3.38Å
106	D	94.2	Very high	93.2	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.118	29%	0.291	C	S	.	.			trans	-81.2	117	-175.8	-170.2	-23.1	0	0	0	111.7	P102 W103 R108 F109 K110	P102-D106 PolarHBondContact O-N 3.47Å; W103-D106 HydrophobicContact CE3-CB 4.46Å; W103-D106 PolarHBondContact O-N 2.68Å; D106-R108 PolarHBondContact O-N 2.83Å; D106-R108 WeakPolarHBondContact OD1-CA 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 VanDerWaalsContact OD1-CG 3.3Å; D106-R108 WeakPolarHBondContact OD1-CG 3.12Å; D106-R108 PolarHBondContact OD1-N 3.37Å; D106-R108 IonicContact OD1-NE 2.7Å; D106-R108 PolarHBondContact OD1-NE 3.27Å; D106-R108 VanDerWaalsContact OD1-NE 3.16Å; D106-R108 IonicContact OD2-CZ 3.73Å; D106-R108 VanDerWaalsContact OD2-CZ 3.27Å; D106-R108 IonicContact OD2-NE 3.57Å; D106-R108 PolarHBondContact OD2-NE 3.24Å; D106-R108 IonicContact OD2-NH2 3.82Å; D106-R108 PolarHBondContact OD2-NH2 2.72Å; D106-F109 HydrophobicContact CB-CB 4.12Å; D106-F109 PolarHBondContact O-N 2.86Å; D106-K110 PolarHBondContact O-N 3.04Å
107	P	93.5	Very high	93.5	Very high	101 Å²	101	52.3 Å²	52.3	66%	0.656	26%	0.262	S	S	*	.	H	α-helix	trans	-64.6	-26.4	178	27.8	-35.2	0	0	0	113.3	V105 K110 E111	V105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-K110 PolarHBondContact O-N 3.1Å; P107-E111 PolarHBondContact O-N 3.13Å
108	R	93.5	Very high	93.8	Very high	65 Å²	65	46 Å²	46	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-41.7	176.4	-54.1	173.6	-63	164.9	5.5	110.4	H27 Q28 M29 E33 D106 E111 H112	H27-R108 WeakPolarHBondContact O-CD 3.38Å; H27-R108 WeakPolarHBondContact O-CG 3.43Å; Q28-R108 WeakPolarHBondContact O-CD 3.27Å; Q28-R108 PolarHBondContact O-NH1 3.22Å; M29-R108 HydrophobicContact CE-CB 4.49Å; M29-R108 HydrophobicContact CG-CB 3.95Å; M29-R108 HydrophobicContact CG-CG 4.5Å; M29-R108 HydrophobicContact SD-CB 4.12Å; E33-R108 IonicContact OE1-CZ 3.33Å; E33-R108 IonicContact OE1-NH1 2.83Å; E33-R108 PolarHBondContact OE1-NH1 3.36Å; E33-R108 IonicContact OE1-NH2 2.72Å; E33-R108 PolarHBondContact OE1-NH2 3.09Å; E33-R108 IonicContact OE2-NH1 3.14Å; D106-R108 PolarHBondContact O-N 2.83Å; D106-R108 WeakPolarHBondContact OD1-CA 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 VanDerWaalsContact OD1-CG 3.3Å; D106-R108 WeakPolarHBondContact OD1-CG 3.12Å; D106-R108 PolarHBondContact OD1-N 3.37Å; D106-R108 IonicContact OD1-NE 2.7Å; D106-R108 PolarHBondContact OD1-NE 3.27Å; D106-R108 VanDerWaalsContact OD1-NE 3.16Å; D106-R108 IonicContact OD2-CZ 3.73Å; D106-R108 VanDerWaalsContact OD2-CZ 3.27Å; D106-R108 IonicContact OD2-NE 3.57Å; D106-R108 PolarHBondContact OD2-NE 3.24Å; D106-R108 IonicContact OD2-NH2 3.82Å; D106-R108 PolarHBondContact OD2-NH2 2.72Å; R108-E111 PolarHBondContact O-N 2.88Å; R108-H112 WeakPolarHBondContact O-CB 3.39Å; R108-H112 PolarHBondContact O-N 3.39Å
109	F	95	Very high	94	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-39.3	173.9	-179.5	-106.7	0	0	0	112	A37 L40 A41 L44 Y89 I93 V99 W103 D106 E111 H112 V113	A37-F109 HydrophobicContact CB-CD2 3.93Å; A37-F109 HydrophobicContact CB-CE2 4.48Å; L40-F109 HydrophobicContact CB-CE2 4.15Å; L40-F109 HydrophobicContact CB-CZ 4.4Å; L40-F109 HydrophobicContact CD2-CE1 4.43Å; L40-F109 HydrophobicContact CD2-CE2 3.88Å; L40-F109 HydrophobicContact CD2-CZ 3.63Å; L40-F109 HydrophobicContact CG-CE2 4.06Å; L40-F109 HydrophobicContact CG-CZ 3.82Å; A41-F109 HydrophobicContact CB-CE2 4.47Å; L44-F109 HydrophobicContact CD1-CZ 4.02Å; Y89-F109 HydrophobicContact CE2-CD1 4.25Å; Y89-F109 HydrophobicContact CE2-CE1 4.35Å; I93-F109 HydrophobicContact CG2-CE1 4.1Å; V99-F109 HydrophobicContact CG1-CE1 4.16Å; W103-F109 HydrophobicContact CB-CD1 4.19Å; W103-F109 HydrophobicContact CB-CE1 4.39Å; W103-F109 HydrophobicContact CB-CG 4.41Å; W103-F109 HydrophobicContact CD2-CD2 4.42Å; W103-F109 HydrophobicContact CE3-CB 3.68Å; W103-F109 AromaticContact CE3-CD2 3.94Å; W103-F109 HydrophobicContact CE3-CD2 3.94Å; W103-F109 AromaticContact CE3-CG 3.87Å; W103-F109 HydrophobicContact CE3-CG 3.87Å; W103-F109 HydrophobicContact CZ3-CB 4.12Å; W103-F109 HydrophobicContact CZ3-CD2 4.41Å; W103-F109 VanDerWaalsContact O-CD1 3.26Å; W103-F109 WeakPolarHBondContact O-CD1 3.27Å; D106-F109 HydrophobicContact CB-CB 4.12Å; D106-F109 PolarHBondContact O-N 2.86Å; F109-E111 PolarHBondContact O-N 2.86Å; F109-H112 PolarHBondContact O-N 3.39Å; F109-H112 VanDerWaalsContact O-N 3.09Å; F109-V113 HydrophobicContact CD1-CG2 4.24Å; F109-V113 HydrophobicContact CD2-CG2 4.39Å; F109-V113 HydrophobicContact CE1-CG2 3.74Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.52Å; F109-V113 PolarHBondContact O-N 3.22Å
110	K	94.9	Very high	94.2	Very high	69 Å²	69	45.9 Å²	45.9	30%	0.3	23%	0.227	S	C	.	.	H	α-helix	trans	-57.9	-45.4	171.9	-175.9	175.4	179.1	-176.2	0	112.3	D86 Y89 D106 P107 H112 T114	D86-K110 WeakPolarHBondContact OD1-CE 3.4Å; D86-K110 IonicContact OD1-NZ 2.78Å; D86-K110 PolarHBondContact OD1-NZ 3.05Å; Y89-K110 HydrophobicContact CD1-CD 3.94Å; Y89-K110 HydrophobicContact CD1-CG 3.86Å; Y89-K110 HydrophobicContact CD2-CB 4.46Å; Y89-K110 HydrophobicContact CD2-CG 4.06Å; Y89-K110 HydrophobicContact CE1-CB 4.03Å; Y89-K110 HydrophobicContact CE1-CD 3.79Å; Y89-K110 HydrophobicContact CE1-CG 3.72Å; Y89-K110 HydrophobicContact CE2-CB 3.86Å; Y89-K110 HydrophobicContact CE2-CG 3.93Å; Y89-K110 HydrophobicContact CG-CG 4.03Å; D106-K110 PolarHBondContact O-N 3.04Å; P107-K110 PolarHBondContact O-N 3.1Å; K110-H112 VanDerWaalsContact C-N 3.3Å; K110-H112 PolarHBondContact O-N 2.69Å; K110-T114 WeakPolarHBondContact O-CB 3.42Å; K110-T114 PolarHBondContact O-N 3.01Å; K110-T114 PolarHBondContact O-OG1 3.4Å
111	E	93.1	Very high	94.5	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-37.4	174.7	-160.2	-166.2	-171.4	0	0	111.2	V23 T24 P107 R108 F109 T114 R115	V23-E111 HydrophobicContact CG1-CG 3.94Å; T24-E111 WeakPolarHBondContact CB-OE1 3.37Å; T24-E111 PolarHBondContact N-OE1 3.21Å; T24-E111 PolarHBondContact OG1-OE1 2.82Å; T24-E111 PolarHBondContact OG1-OE2 3.18Å; P107-E111 PolarHBondContact O-N 3.13Å; R108-E111 PolarHBondContact O-N 2.88Å; F109-E111 PolarHBondContact O-N 2.86Å; E111-T114 CarbonylContact O-C 3.56Å; E111-T114 WeakPolarHBondContact O-CA 3.27Å; E111-T114 VanDerWaalsContact O-CB 3.29Å; E111-T114 WeakPolarHBondContact O-CB 3.39Å; E111-T114 PolarHBondContact O-N 2.91Å; E111-T114 VanDerWaalsContact O-N 3.15Å; E111-R115 WeakPolarHBondContact O-CG 3.27Å; E111-R115 PolarHBondContact O-N 2.83Å; E111-R115 IonicContact OE1-NH2 3.16Å; E111-R115 PolarHBondContact OE1-NH2 3.42Å; E111-R115 IonicContact OE2-CZ 2.8Å; E111-R115 IonicContact OE2-NH1 3.97Å; E111-R115 IonicContact OE2-NH2 3.84Å; E111-R115 PolarHBondContact OE2-NH2 3.15Å
112	H	94.6	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-46.4	178.5	-152.2	59.8	0	0	0	113.3	M29 D38 R108 F109 K110 T114 R115 Y116	M29-H112 HydrophobicContact CE-CB 4.29Å; D38-H112 IonicContact OD1-CD2 2.78Å; D38-H112 IonicContact OD1-CE1 2.81Å; D38-H112 PolarHBondContact OD1-CE1 2.79Å; D38-H112 IonicContact OD1-NE2 3.22Å; D38-H112 PolarHBondContact OD1-NE2 2.88Å; R108-H112 WeakPolarHBondContact O-CB 3.39Å; R108-H112 PolarHBondContact O-N 3.39Å; F109-H112 PolarHBondContact O-N 3.39Å; F109-H112 VanDerWaalsContact O-N 3.09Å; K110-H112 VanDerWaalsContact C-N 3.3Å; K110-H112 PolarHBondContact O-N 2.69Å; H112-T114 PolarHBondContact O-N 3Å; H112-R115 PolarHBondContact ND1-NH1 2.88Å; H112-R115 VanDerWaalsContact O-CB 3.3Å; H112-R115 WeakPolarHBondContact O-CB 3.38Å; H112-R115 PolarHBondContact O-N 3.43Å; H112-R115 VanDerWaalsContact O-N 3.09Å; H112-Y116 AromaticContact NE2-CE2 3.86Å; H112-Y116 WeakPolarHBondContact O-CD2 3.18Å; H112-Y116 PolarHBondContact O-N 3.49Å
113	V	95.8	Very high	94.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-33.5	170.7	178.3	0	0	0	0	111	A41 T45 Y89 L92 F109 R115 Y116 L117	A41-V113 HydrophobicContact CB-CG2 4Å; T45-V113 HydrophobicContact CG2-CG1 4.28Å; Y89-V113 HydrophobicContact CD2-CB 3.93Å; Y89-V113 HydrophobicContact CD2-CG1 3.93Å; Y89-V113 HydrophobicContact CD2-CG2 4.41Å; Y89-V113 HydrophobicContact CE2-CB 4.21Å; Y89-V113 HydrophobicContact CE2-CG2 4.28Å; L92-V113 HydrophobicContact CD1-CG1 4.05Å; F109-V113 HydrophobicContact CD1-CG2 4.24Å; F109-V113 HydrophobicContact CD2-CG2 4.39Å; F109-V113 HydrophobicContact CE1-CG2 3.74Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.52Å; F109-V113 PolarHBondContact O-N 3.22Å; V113-R115 VanDerWaalsContact C-N 3.35Å; V113-R115 PolarHBondContact O-N 3.3Å; V113-Y116 WeakPolarHBondContact O-CB 3.41Å; V113-Y116 PolarHBondContact O-N 3.18Å; V113-L117 HydrophobicContact CG1-CD1 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.48Å; V113-L117 PolarHBondContact O-N 2.88Å
114	T	95.2	Very high	94.8	Very high	15 Å²	15	30.1 Å²	30.1	9%	0.092	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-35.3	173.9	-58.9	0	0	0	0	112.5	P21 V23 Y85 K110 E111 H112 L117 L118	P21-T114 HydrophobicContact CB-CG2 4.06Å; P21-T114 HydrophobicContact CG-CG2 3.59Å; V23-T114 HydrophobicContact CG2-CG2 3.95Å; Y85-T114 HydrophobicContact CD1-CG2 3.85Å; Y85-T114 HydrophobicContact CE1-CG2 4.37Å; K110-T114 WeakPolarHBondContact O-CB 3.42Å; K110-T114 PolarHBondContact O-N 3.01Å; K110-T114 PolarHBondContact O-OG1 3.4Å; E111-T114 CarbonylContact O-C 3.56Å; E111-T114 WeakPolarHBondContact O-CA 3.27Å; E111-T114 VanDerWaalsContact O-CB 3.29Å; E111-T114 WeakPolarHBondContact O-CB 3.39Å; E111-T114 PolarHBondContact O-N 2.91Å; E111-T114 VanDerWaalsContact O-N 3.15Å; H112-T114 PolarHBondContact O-N 3Å; T114-L117 PolarHBondContact O-N 3.16Å; T114-L118 PolarHBondContact O-N 2.78Å
115	R	94.4	Very high	95	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-48.7	169.8	-65.4	170.3	-177.5	105.1	5.9	110.2	V23 T24 E111 H112 V113 L117 L118 C162 P199	V23-R115 HydrophobicContact CG1-CG 3.38Å; T24-R115 PolarHBondContact O-NE 3.4Å; T24-R115 PolarHBondContact O-NH2 3.38Å; E111-R115 WeakPolarHBondContact O-CG 3.27Å; E111-R115 PolarHBondContact O-N 2.83Å; E111-R115 IonicContact OE1-NH2 3.16Å; E111-R115 PolarHBondContact OE1-NH2 3.42Å; E111-R115 IonicContact OE2-CZ 2.8Å; E111-R115 IonicContact OE2-NH1 3.97Å; E111-R115 IonicContact OE2-NH2 3.84Å; E111-R115 PolarHBondContact OE2-NH2 3.15Å; H112-R115 PolarHBondContact ND1-NH1 2.88Å; H112-R115 VanDerWaalsContact O-CB 3.3Å; H112-R115 WeakPolarHBondContact O-CB 3.38Å; H112-R115 PolarHBondContact O-N 3.43Å; H112-R115 VanDerWaalsContact O-N 3.09Å; V113-R115 VanDerWaalsContact C-N 3.35Å; V113-R115 PolarHBondContact O-N 3.3Å; R115-L117 PolarHBondContact O-N 3.11Å; R115-L118 WeakPolarHBondContact O-CB 3.42Å; R115-L118 PolarHBondContact O-N 3.42Å; R115-C162 VanDerWaalsContact CD-SG 3.59Å; R115-C162 PolarHBondContact NE-SG 3.32Å; R115-P199 VanDerWaalsContact C-CG 3.44Å; R115-P199 HydrophobicContact CB-CG 3.83Å; R115-P199 VanDerWaalsContact O-CG 3.24Å; R115-P199 WeakPolarHBondContact O-CG 3.23Å
116	Y	96.9	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-39	178	-84.2	-90.2	0	0	0	113.6	D38 A41 T45 V46 H112 V113 L118 L119 F120 P199 Y202	D38-Y116 PolarHBondContact OD1-OH 3.1Å; D38-Y116 PolarHBondContact OD2-OH 3.03Å; A41-Y116 HydrophobicContact CB-CD2 3.59Å; A41-Y116 HydrophobicContact CB-CE2 3.77Å; A41-Y116 HydrophobicContact CB-CG 4.26Å; T45-Y116 WeakPolarHBondContact OG1-CB 3.49Å; T45-Y116 WeakPolarHBondContact OG1-CD1 3.27Å; V46-Y116 HydrophobicContact CG2-CD1 3.64Å; V46-Y116 HydrophobicContact CG2-CE1 3.89Å; H112-Y116 AromaticContact NE2-CE2 3.86Å; H112-Y116 WeakPolarHBondContact O-CD2 3.18Å; H112-Y116 PolarHBondContact O-N 3.49Å; V113-Y116 WeakPolarHBondContact O-CB 3.41Å; V113-Y116 PolarHBondContact O-N 3.18Å; Y116-L118 PolarHBondContact O-N 3.49Å; Y116-L119 HydrophobicContact CD1-CD1 4.23Å; Y116-L119 VanDerWaalsContact O-CB 3.31Å; Y116-L119 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 2.97Å; Y116-L119 VanDerWaalsContact O-N 3.09Å; Y116-F120 WeakPolarHBondContact O-CE2 3.11Å; Y116-P199 HydrophobicContact CG-CG 4.49Å; Y116-Y202 AromaticContact CE1-CE2 3.91Å; Y116-Y202 HydrophobicContact CE1-CE2 3.91Å
117	L	97.3	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-26.4	178.7	-73.8	172.5	0	0	0	113.6	I76 F79 Y85 A88 L92 V113 T114 R115 L119 F120 D121	I76-L117 HydrophobicContact CD1-CD2 3.76Å; F79-L117 HydrophobicContact CD1-CD2 4.12Å; F79-L117 HydrophobicContact CE1-CB 4.21Å; F79-L117 HydrophobicContact CE1-CD2 4.27Å; F79-L117 VanDerWaalsContact CE1-O 3.25Å; F79-L117 WeakPolarHBondContact CE1-O 3.45Å; F79-L117 HydrophobicContact CG-CD2 4.25Å; F79-L117 HydrophobicContact CZ-CB 4.02Å; Y85-L117 HydrophobicContact CD1-CB 3.72Å; Y85-L117 HydrophobicContact CD1-CD1 3.96Å; Y85-L117 HydrophobicContact CE1-CB 3.7Å; A88-L117 HydrophobicContact CB-CD1 4.03Å; A88-L117 HydrophobicContact CB-CD2 4.12Å; L92-L117 HydrophobicContact CD1-CD2 4.35Å; V113-L117 HydrophobicContact CG1-CD1 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.48Å; V113-L117 PolarHBondContact O-N 2.88Å; T114-L117 PolarHBondContact O-N 3.16Å; R115-L117 PolarHBondContact O-N 3.11Å; L117-L119 PolarHBondContact O-N 3.24Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L117-D121 PolarHBondContact O-N 3.24Å
118	L	96.1	Very high	95.5	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.4	175.3	-70.5	165.2	0	0	0	113.6	I20 V23 Y85 T114 R115 Y116 F120 D121 S124 T158	I20-L118 HydrophobicContact CG2-CD2 3.57Å; V23-L118 HydrophobicContact CB-CD1 4.35Å; V23-L118 HydrophobicContact CG2-CD1 3.87Å; Y85-L118 HydrophobicContact CE1-CD2 4.36Å; Y85-L118 HydrophobicContact CE1-CG 4.46Å; Y85-L118 WeakPolarHBondContact OH-CD2 3.48Å; T114-L118 PolarHBondContact O-N 2.78Å; R115-L118 WeakPolarHBondContact O-CB 3.42Å; R115-L118 PolarHBondContact O-N 3.42Å; Y116-L118 PolarHBondContact O-N 3.49Å; L118-F120 PolarHBondContact O-N 3.11Å; L118-D121 PolarHBondContact O-N 2.86Å; L118-S124 WeakPolarHBondContact O-CB 3.15Å; L118-S124 PolarHBondContact O-OG 3.13Å; L118-T158 WeakPolarHBondContact CD1-O 3.26Å; L118-T158 HydrophobicContact CD2-CG2 4.16Å
119	L	96.9	Very high	95.6	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16	176.4	-65.2	176.4	0	0	0	113.5	V46 Y116 L117 I126 I128 I144 P199	V46-L119 HydrophobicContact CG2-CD1 3.94Å; Y116-L119 HydrophobicContact CD1-CD1 4.23Å; Y116-L119 VanDerWaalsContact O-CB 3.31Å; Y116-L119 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 2.97Å; Y116-L119 VanDerWaalsContact O-N 3.09Å; L117-L119 PolarHBondContact O-N 3.24Å; L119-I126 HydrophobicContact CD2-CD1 4.02Å; L119-I128 HydrophobicContact CB-CB 4.4Å; L119-I128 HydrophobicContact CB-CG2 3.99Å; L119-I128 HydrophobicContact CD1-CB 4.26Å; L119-I128 HydrophobicContact CD1-CD1 4.04Å; L119-I128 HydrophobicContact CD1-CG2 4.2Å; L119-I128 HydrophobicContact CD2-CB 4.32Å; L119-I144 HydrophobicContact CD2-CD1 3.67Å; L119-P199 HydrophobicContact CD1-CB 4.17Å; L119-P199 HydrophobicContact CD2-CB 4.01Å; L119-P199 HydrophobicContact CG-CB 4.11Å
120	F	97.3	Very high	95.6	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.031	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-5.2	-177.6	-41.5	-74.2	0	0	0	112.8	V46 Y49 I76 F79 Q80 Y116 L117 L118 D122 I128	V46-F120 HydrophobicContact CG2-CZ 4.02Å; Y49-F120 HydrophobicContact CD1-CD1 4.07Å; Y49-F120 AromaticContact CD1-CE1 3.52Å; Y49-F120 HydrophobicContact CD1-CE1 3.52Å; Y49-F120 HydrophobicContact CD2-CD1 4.08Å; Y49-F120 HydrophobicContact CD2-CE1 4.06Å; Y49-F120 HydrophobicContact CE1-CD1 4.14Å; Y49-F120 AromaticContact CE1-CE1 3.99Å; Y49-F120 HydrophobicContact CE1-CE1 3.99Å; Y49-F120 HydrophobicContact CE2-CD1 4.16Å; Y49-F120 HydrophobicContact CE2-CE1 4.49Å; Y49-F120 HydrophobicContact CG-CD1 4.03Å; Y49-F120 AromaticContact CG-CE1 3.55Å; Y49-F120 HydrophobicContact CG-CE1 3.55Å; Y49-F120 HydrophobicContact CG-CZ 4.45Å; I76-F120 HydrophobicContact CD1-CD2 4.09Å; I76-F120 HydrophobicContact CD1-CE2 4.13Å; I76-F120 HydrophobicContact CG2-CB 4.03Å; I76-F120 HydrophobicContact CG2-CD1 3.69Å; I76-F120 HydrophobicContact CG2-CD2 3.94Å; I76-F120 HydrophobicContact CG2-CE1 4.14Å; I76-F120 HydrophobicContact CG2-CE2 4.37Å; I76-F120 HydrophobicContact CG2-CG 3.58Å; I76-F120 HydrophobicContact CG2-CZ 4.45Å; F79-F120 HydrophobicContact CD1-CB 4.15Å; F79-F120 HydrophobicContact CE1-CB 4.15Å; Q80-F120 HydrophobicContact CG-CB 4Å; Q80-F120 WeakPolarHBondContact CG-O 3.32Å; Y116-F120 WeakPolarHBondContact O-CE2 3.11Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L118-F120 PolarHBondContact O-N 3.11Å; F120-D122 PolarHBondContact O-N 2.83Å; F120-I128 HydrophobicContact CE1-CG2 3.79Å; F120-I128 HydrophobicContact CZ-CG2 4.31Å
121	D	96	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.			trans	-88.4	100.8	171.6	-167.2	-5.4	0	0	0	109.5	F79 K83 Y85 L117 L118 R123 S124	F79-D121 HydrophobicContact CE1-CB 4.19Å; F79-D121 HydrophobicContact CZ-CB 4.16Å; K83-D121 WeakPolarHBondContact CD-OD1 3.35Å; K83-D121 WeakPolarHBondContact CE-OD1 3.4Å; K83-D121 IonicContact NZ-OD1 3.03Å; Y85-D121 VanDerWaalsContact OH-CB 3.25Å; Y85-D121 WeakPolarHBondContact OH-CB 3.43Å; Y85-D121 PolarHBondContact OH-OD2 3.45Å; L117-D121 PolarHBondContact O-N 3.24Å; L118-D121 PolarHBondContact O-N 2.86Å; D121-R123 PolarHBondContact O-N 2.66Å; D121-R123 WeakPolarHBondContact OD1-CB 3.16Å; D121-R123 VanDerWaalsContact OD1-CG 3.3Å; D121-R123 WeakPolarHBondContact OD1-CG 3.39Å; D121-R123 IonicContact OD1-CZ 3.21Å; D121-R123 PolarHBondContact OD1-N 3.45Å; D121-R123 IonicContact OD1-NE 2.72Å; D121-R123 PolarHBondContact OD1-NE 2.95Å; D121-R123 IonicContact OD1-NH2 2.86Å; D121-R123 IonicContact OD2-CZ 3.58Å; D121-R123 IonicContact OD2-NE 3.11Å; D121-R123 PolarHBondContact OD2-NE 3.21Å; D121-R123 VanDerWaalsContact OD2-NE 3.14Å; D121-R123 IonicContact OD2-NH2 2.68Å; D121-R123 PolarHBondContact OD2-NH2 2.99Å; D121-S124 WeakPolarHBondContact O-CB 3.33Å; D121-S124 PolarHBondContact O-N 3.3Å; D121-S124 PolarHBondContact O-OG 3.05Å
122	D	93.5	Very high	95.4	Very high	102 Å²	102	22.6 Å²	22.6	55%	0.545	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-49.7	-27.7	179	66.5	-39.9	0	0	0	114.4	K83 F120 S124 G125 T147	K83-D122 WeakPolarHBondContact CE-OD1 3.44Å; K83-D122 IonicContact NZ-OD1 2.61Å; K83-D122 PolarHBondContact NZ-OD1 3.15Å; F120-D122 PolarHBondContact O-N 2.83Å; D122-S124 PolarHBondContact O-N 3.2Å; D122-G125 PolarHBondContact O-N 2.83Å; D122-T147 PolarHBondContact O-OG1 2.72Å
123	R	94.4	Very high	95.1	Very high	57 Å²	57	24.1 Å²	24.1	22%	0.215	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-66.1	-20.3	175.5	-49.7	177.7	-60.7	164.2	7.7	113.4	N18 I20 D121 G125	N18-R123 PolarHBondContact O-NH1 3.28Å; N18-R123 PolarHBondContact O-NH2 2.86Å; I20-R123 HydrophobicContact CD1-CB 3.75Å; I20-R123 WeakPolarHBondContact CD1-O 3.34Å; I20-R123 HydrophobicContact CG1-CB 4.26Å; D121-R123 PolarHBondContact O-N 2.66Å; D121-R123 WeakPolarHBondContact OD1-CB 3.16Å; D121-R123 VanDerWaalsContact OD1-CG 3.3Å; D121-R123 WeakPolarHBondContact OD1-CG 3.39Å; D121-R123 IonicContact OD1-CZ 3.21Å; D121-R123 PolarHBondContact OD1-N 3.45Å; D121-R123 IonicContact OD1-NE 2.72Å; D121-R123 PolarHBondContact OD1-NE 2.95Å; D121-R123 IonicContact OD1-NH2 2.86Å; D121-R123 IonicContact OD2-CZ 3.58Å; D121-R123 IonicContact OD2-NE 3.11Å; D121-R123 PolarHBondContact OD2-NE 3.21Å; D121-R123 VanDerWaalsContact OD2-NE 3.14Å; D121-R123 IonicContact OD2-NH2 2.68Å; D121-R123 PolarHBondContact OD2-NH2 2.99Å; R123-G125 PolarHBondContact O-N 2.97Å
124	S	94.8	Very high	94.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-66	-22.5	-179.7	74.9	0	0	0	0	113.3	L118 D121 D122 I126 T158	L118-S124 WeakPolarHBondContact O-CB 3.15Å; L118-S124 PolarHBondContact O-OG 3.13Å; D121-S124 WeakPolarHBondContact O-CB 3.33Å; D121-S124 PolarHBondContact O-N 3.3Å; D121-S124 PolarHBondContact O-OG 3.05Å; D122-S124 PolarHBondContact O-N 3.2Å; S124-I126 WeakPolarHBondContact OG-CG1 3.37Å; S124-I126 PolarHBondContact OG-N 2.89Å; S124-I126 PolarHBondContact OG-O 3.08Å; S124-T158 PolarHBondContact O-OG1 2.94Å
125	G	95.6	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	83.6	5.8	-174.3	0	0	0	0	0	114.8	D122 R123 A146 T147 W150	D122-G125 PolarHBondContact O-N 2.83Å; R123-G125 PolarHBondContact O-N 2.97Å; G125-A146 WeakPolarHBondContact O-CA 3.25Å; G125-T147 WeakPolarHBondContact CA-OG1 3.43Å; G125-T147 PolarHBondContact O-N 2.73Å; G125-T147 PolarHBondContact O-OG1 3.22Å; G125-W150 PolarHBondContact O-NE1 3.07Å; G125-W150 VanDerWaalsContact O-NE1 3.08Å
126	I	96.4	Very high	93.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.2	179.9	60.9	169.5	0	0	0	112	L119 S124 I144 F145 T147 I156 L159 I237	L119-I126 HydrophobicContact CD2-CD1 4.02Å; S124-I126 WeakPolarHBondContact OG-CG1 3.37Å; S124-I126 PolarHBondContact OG-N 2.89Å; S124-I126 PolarHBondContact OG-O 3.08Å; I126-I144 HydrophobicContact CB-CG2 4.1Å; I126-I144 HydrophobicContact CG2-CG2 4.36Å; I126-F145 CarbonylContact C-O 3.57Å; I126-F145 VanDerWaalsContact CA-O 3.28Å; I126-F145 WeakPolarHBondContact CA-O 3.25Å; I126-T147 PolarHBondContact N-OG1 2.57Å; I126-T147 WeakPolarHBondContact O-CG2 3.09Å; I126-I156 HydrophobicContact CG2-CG2 3.84Å; I126-L159 HydrophobicContact CD1-CB 4.02Å; I126-L159 HydrophobicContact CD1-CD1 3.97Å; I126-L159 HydrophobicContact CD1-CG 4.39Å; I126-L159 HydrophobicContact CG2-CD2 4.22Å; I126-I237 HydrophobicContact CG2-CD1 3.92Å
127	E	96.6	Very high	92.5	Very high	49 Å²	49	32.7 Å²	32.7	23%	0.229	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.5	172	63.8	-173.1	119.5	0	0	110.7	R129 I144 F145 T147	E127-R129 VanDerWaalsContact CD-CZ 3.47Å; E127-R129 IonicContact OE1-CZ 3.4Å; E127-R129 IonicContact OE1-NE 2.64Å; E127-R129 IonicContact OE1-NH2 3.78Å; E127-R129 PolarHBondContact OE1-NH2 3.18Å; E127-R129 IonicContact OE2-CZ 2.68Å; E127-R129 IonicContact OE2-NE 3.01Å; E127-R129 PolarHBondContact OE2-NE 3.13Å; E127-R129 IonicContact OE2-NH2 2.72Å; E127-R129 PolarHBondContact OE2-NH2 3.03Å; E127-I144 WeakPolarHBondContact O-CA 3.42Å; E127-F145 HydrophobicContact CG-CB 3.77Å; E127-F145 PolarHBondContact N-O 3.18Å; E127-F145 PolarHBondContact O-N 3.46Å; E127-T147 HydrophobicContact CB-CG2 3.67Å; E127-T147 HydrophobicContact CG-CG2 3.8Å; E127-T147 WeakPolarHBondContact OE1-CG2 3.47Å
128	I	97.7	Very high	91.8	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.3	172.4	-170.2	162.7	0	0	0	111.6	V46 L50 L119 F120 A142 I144 Y202	V46-I128 HydrophobicContact CG1-CD1 3.8Å; V46-I128 HydrophobicContact CG2-CD1 4.18Å; L50-I128 HydrophobicContact CD1-CD1 4.39Å; L50-I128 HydrophobicContact CD1-CG1 4.37Å; L119-I128 HydrophobicContact CB-CB 4.4Å; L119-I128 HydrophobicContact CB-CG2 3.99Å; L119-I128 HydrophobicContact CD1-CB 4.26Å; L119-I128 HydrophobicContact CD1-CD1 4.04Å; L119-I128 HydrophobicContact CD1-CG2 4.2Å; L119-I128 HydrophobicContact CD2-CB 4.32Å; F120-I128 HydrophobicContact CE1-CG2 3.79Å; F120-I128 HydrophobicContact CZ-CG2 4.31Å; I128-A142 HydrophobicContact CD1-CB 4.02Å; I128-A142 HydrophobicContact CG1-CB 4.06Å; I128-I144 HydrophobicContact CB-CD1 3.83Å; I128-I144 HydrophobicContact CD1-CD1 4.1Å; I128-I144 HydrophobicContact CG1-CD1 3.9Å; I128-Y202 HydrophobicContact CD1-CD1 3.88Å; I128-Y202 HydrophobicContact CD1-CD2 4.01Å; I128-Y202 HydrophobicContact CD1-CE1 4.09Å; I128-Y202 HydrophobicContact CD1-CE2 4.27Å; I128-Y202 HydrophobicContact CD1-CG 3.81Å
129	R	95.9	Very high	91.3	Very high	86 Å²	86	41.3 Å²	41.3	33%	0.325	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.1	177	-56.9	-174.7	-174.5	149.7	-7.4	111.6	E127 A142 S143 F145	E127-R129 VanDerWaalsContact CD-CZ 3.47Å; E127-R129 IonicContact OE1-CZ 3.4Å; E127-R129 IonicContact OE1-NE 2.64Å; E127-R129 IonicContact OE1-NH2 3.78Å; E127-R129 PolarHBondContact OE1-NH2 3.18Å; E127-R129 IonicContact OE2-CZ 2.68Å; E127-R129 IonicContact OE2-NE 3.01Å; E127-R129 PolarHBondContact OE2-NE 3.13Å; E127-R129 IonicContact OE2-NH2 2.72Å; E127-R129 PolarHBondContact OE2-NH2 3.03Å; R129-A142 CarbonylContact O-C 3.49Å; R129-A142 VanDerWaalsContact O-CA 3.23Å; R129-A142 WeakPolarHBondContact O-CA 3.31Å; R129-A142 WeakPolarHBondContact O-CB 3.17Å; R129-S143 PolarHBondContact N-O 2.84Å; R129-S143 PolarHBondContact O-N 2.89Å; R129-F145 HydrophobicContact CB-CD2 4.06Å; R129-F145 HydrophobicContact CB-CE2 3.89Å; R129-F145 HydrophobicContact CG-CD2 3.83Å; R129-F145 HydrophobicContact CG-CE2 4.09Å; R129-F145 VanDerWaalsContact NH1-CG 3.31Å
130	P	94.5	Very high	90.9	Very high	48 Å²	48	46.2 Å²	46.2	31%	0.312	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	145.2	172.3	-20.7	33.7	0	0	0	112.9	L50 F52 W132	L50-P130 HydrophobicContact CD2-CG 4.09Å; F52-P130 HydrophobicContact CE1-CB 3.93Å; F52-P130 HydrophobicContact CE1-CG 4.09Å; F52-P130 HydrophobicContact CZ-CB 4.19Å; P130-W132 HydrophobicContact CB-CZ2 3.63Å; P130-W132 HydrophobicContact CG-CZ2 4.42Å
131	C	92.2	Very high	90.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.6	177.4	173.9	0	0	0	0	109.8	G141	C131-G141 PolarHBondContact N-O 3.01Å; C131-G141 CarbonylContact O-C 3.5Å; C131-G141 WeakPolarHBondContact O-CA 3.49Å; C131-G141 PolarHBondContact O-N 2.91Å
132	W	90.8	Very high	90.4	Very high	96 Å²	96	46.5 Å²	46.5	36%	0.364	24%	0.237	S	C	.	.			trans	-106.7	19.7	-179	-44	90	0	0	0	112.3	F52 P130 H139 M140 L358	F52-W132 HydrophobicContact CD1-CH2 4.46Å; F52-W132 HydrophobicContact CE1-CH2 4.34Å; F52-W132 HydrophobicContact CE1-CZ2 4.44Å; P130-W132 HydrophobicContact CB-CZ2 3.63Å; P130-W132 HydrophobicContact CG-CZ2 4.42Å; W132-H139 VanDerWaalsContact CA-O 3.31Å; W132-H139 WeakPolarHBondContact CA-O 3.49Å; W132-H139 PolarHBondContact O-ND1 3.28Å; W132-M140 HydrophobicContact CE3-CG 4.42Å; W132-M140 HydrophobicContact CZ3-CG 3.98Å; W132-L358 HydrophobicContact CD2-CD1 4.43Å; W132-L358 HydrophobicContact CE3-CD1 4.28Å
133	R	88.8	Confident	90.5	Very high	32 Å²	32	41.7 Å²	41.7	12%	0.121	21%	0.211	C	C	.	.			trans	-86.1	-46.1	-165.8	-176.7	172.3	173.6	92.7	9.7	113.7	E254 E259	R133-E254 VanDerWaalsContact CZ-O 3.27Å; R133-E254 PolarHBondContact NE-O 3.03Å; R133-E254 PolarHBondContact NH2-O 2.72Å; R133-E259 IonicContact CZ-OE2 2.7Å; R133-E259 VanDerWaalsContact CZ-OE2 3.22Å; R133-E259 IonicContact NH1-OE2 2.64Å; R133-E259 PolarHBondContact NH1-OE2 2.97Å; R133-E259 IonicContact NH2-OE2 3.92Å; R133-E259 PolarHBondContact NH2-OE2 3.05Å
134	Y	88.5	Confident	90.6	Very high	20 Å²	20	39 Å²	39	8%	0.078	20%	0.201	C	C	.	.			trans	-94.3	133	-164.2	-48.7	-67.4	0	0	0	111.3	S136 E137 H139 N204 E254	Y134-S136 VanDerWaalsContact C-N 3.29Å; Y134-S136 PolarHBondContact O-N 3.13Å; Y134-E137 WeakPolarHBondContact CD2-OE1 3.37Å; Y134-E137 WeakPolarHBondContact O-CG 3.35Å; Y134-H139 WeakPolarHBondContact O-CA 3.28Å; Y134-H139 PolarHBondContact O-N 3.38Å; Y134-H139 VanDerWaalsContact O-N 3.1Å; Y134-N204 HydrophobicContact CE2-CB 4.38Å; Y134-N204 WeakPolarHBondContact CE2-OD1 3.3Å; Y134-E254 WeakPolarHBondContact CA-OE2 3.34Å; Y134-E254 HydrophobicContact CD1-CB 3.88Å; Y134-E254 HydrophobicContact CE1-CB 4.48Å
135	A	85.4	Confident	90.7	Very high	37 Å²	37	40.1 Å²	40.1	31%	0.306	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-71.6	-28.1	-178.4	0	0	0	0	0	111.8	E137 N138 E254	A135-E137 PolarHBondContact O-N 3.49Å; A135-N138 PolarHBondContact O-N 3.05Å; A135-N138 VanDerWaalsContact O-N 3.14Å; A135-E254 PolarHBondContact N-OE2 3.05Å
136	S	75.3	Confident	90.8	Very high	81 Å²	81	40.1 Å²	40.1	57%	0.566	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-70.3	-9.6	-179.6	58.7	0	0	0	0	115.4	Y134	Y134-S136 VanDerWaalsContact C-N 3.29Å; Y134-S136 PolarHBondContact O-N 3.13Å
137	E	78.2	Confident	90.8	Very high	58 Å²	58	41.9 Å²	41.9	27%	0.271	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-111.8	21.9	174.3	61	-174.3	-171.3	0	0	111.3	Y134 A135 H139 M140 G141	Y134-E137 WeakPolarHBondContact CD2-OE1 3.37Å; Y134-E137 WeakPolarHBondContact O-CG 3.35Å; A135-E137 PolarHBondContact O-N 3.49Å; E137-H139 PolarHBondContact O-N 3.13Å; E137-H139 VanDerWaalsContact O-N 3.14Å; E137-M140 PolarHBondContact O-N 3.4Å; E137-G141 VanDerWaalsContact CD-CA 3.41Å; E137-G141 WeakPolarHBondContact OE2-CA 3.46Å
138	N	82.7	Confident	90.7	Very high	132 Å²	132	45 Å²	45	71%	0.706	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	28.6	-171.7	-61.6	-29.8	0	0	0	113.4	A135 M140	A135-N138 PolarHBondContact O-N 3.05Å; A135-N138 VanDerWaalsContact O-N 3.14Å; N138-M140 PolarHBondContact O-N 3.15Å
139	H	86.6	Confident	90.6	Very high	53 Å²	53	49 Å²	49	25%	0.245	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.2	-170.3	-58.3	-90.4	0	0	0	114.7	W132 Y134 E137	W132-H139 VanDerWaalsContact CA-O 3.31Å; W132-H139 WeakPolarHBondContact CA-O 3.49Å; W132-H139 PolarHBondContact O-ND1 3.28Å; Y134-H139 WeakPolarHBondContact O-CA 3.28Å; Y134-H139 PolarHBondContact O-N 3.38Å; Y134-H139 VanDerWaalsContact O-N 3.1Å; E137-H139 PolarHBondContact O-N 3.13Å; E137-H139 VanDerWaalsContact O-N 3.14Å
140	M	87.1	Confident	90.6	Very high	106 Å²	106	45.4 Å²	45.4	52%	0.522	23%	0.234	S	C	.	.			trans	-125	56.8	179.8	-60.7	-160.2	-62.7	0	0	112.5	W132 E137 N138	W132-M140 HydrophobicContact CE3-CG 4.42Å; W132-M140 HydrophobicContact CZ3-CG 3.98Å; E137-M140 PolarHBondContact O-N 3.4Å; N138-M140 PolarHBondContact O-N 3.15Å
141	G	89.4	Confident	90.7	Very high	7 Å²	7	46 Å²	46	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-170.3	175.5	0	0	0	0	0	114.1	F52 C131 E137	F52-G141 VanDerWaalsContact CZ-O 3.27Å; F52-G141 WeakPolarHBondContact CZ-O 3.31Å; C131-G141 PolarHBondContact N-O 3.01Å; C131-G141 CarbonylContact O-C 3.5Å; C131-G141 WeakPolarHBondContact O-CA 3.49Å; C131-G141 PolarHBondContact O-N 2.91Å; E137-G141 VanDerWaalsContact CD-CA 3.41Å; E137-G141 WeakPolarHBondContact OE2-CA 3.46Å
142	A	94.6	Very high	90.9	Very high	7 Å²	7	51.3 Å²	51.3	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.4	169.6	0	0	0	0	0	110.5	L50 T54 I128 R129 Y202	L50-A142 HydrophobicContact CD1-CB 3.64Å; T54-A142 HydrophobicContact CG2-CB 4.4Å; I128-A142 HydrophobicContact CD1-CB 4.02Å; I128-A142 HydrophobicContact CG1-CB 4.06Å; R129-A142 CarbonylContact O-C 3.49Å; R129-A142 VanDerWaalsContact O-CA 3.23Å; R129-A142 WeakPolarHBondContact O-CA 3.31Å; R129-A142 WeakPolarHBondContact O-CB 3.17Å; A142-Y202 HydrophobicContact CB-CD1 3.84Å; A142-Y202 HydrophobicContact CB-CE1 4.2Å
143	S	95.4	Very high	91	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.5	-179.3	63.9	0	0	0	0	113.3	R129 F145 N204 E236	R129-S143 PolarHBondContact N-O 2.84Å; R129-S143 PolarHBondContact O-N 2.89Å; S143-F145 VanDerWaalsContact OG-CE2 3.25Å; S143-F145 WeakPolarHBondContact OG-CE2 3.46Å; S143-N204 WeakPolarHBondContact CB-ND2 3.34Å; S143-E236 VanDerWaalsContact CB-OE1 3.31Å; S143-E236 WeakPolarHBondContact CB-OE1 3.36Å
144	I	97.1	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.7	-178	-53.3	-54.5	0	0	0	111.1	L119 I126 E127 I128 L159 V203 I237	L119-I144 HydrophobicContact CD2-CD1 3.67Å; I126-I144 HydrophobicContact CB-CG2 4.1Å; I126-I144 HydrophobicContact CG2-CG2 4.36Å; E127-I144 WeakPolarHBondContact O-CA 3.42Å; I128-I144 HydrophobicContact CB-CD1 3.83Å; I128-I144 HydrophobicContact CD1-CD1 4.1Å; I128-I144 HydrophobicContact CG1-CD1 3.9Å; I144-L159 HydrophobicContact CG2-CD2 3.87Å; I144-V203 HydrophobicContact CB-CG2 4.26Å; I144-V203 HydrophobicContact CG1-CG2 3.9Å; I144-I237 HydrophobicContact CG2-CD1 4.07Å; I144-I237 PolarHBondContact O-N 2.98Å
145	F	96.9	Very high	91.4	Very high	25 Å²	25	53.1 Å²	53.1	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	155.5	174.6	-68.4	-101.5	0	0	0	111.2	I126 E127 R129 S143 D235 E236	I126-F145 CarbonylContact C-O 3.57Å; I126-F145 VanDerWaalsContact CA-O 3.28Å; I126-F145 WeakPolarHBondContact CA-O 3.25Å; E127-F145 HydrophobicContact CG-CB 3.77Å; E127-F145 PolarHBondContact N-O 3.18Å; E127-F145 PolarHBondContact O-N 3.46Å; R129-F145 HydrophobicContact CB-CD2 4.06Å; R129-F145 HydrophobicContact CB-CE2 3.89Å; R129-F145 HydrophobicContact CG-CD2 3.83Å; R129-F145 HydrophobicContact CG-CE2 4.09Å; R129-F145 VanDerWaalsContact NH1-CG 3.31Å; S143-F145 VanDerWaalsContact OG-CE2 3.25Å; S143-F145 WeakPolarHBondContact OG-CE2 3.46Å; F145-D235 WeakPolarHBondContact CA-O 3.41Å; F145-E236 HydrophobicContact CD1-CB 3.85Å; F145-E236 HydrophobicContact CE1-CB 3.64Å; F145-E236 HydrophobicContact CE1-CG 4.25Å; F145-E236 HydrophobicContact CE2-CG 4.39Å; F145-E236 HydrophobicContact CG-CB 4.46Å; F145-E236 HydrophobicContact CZ-CB 4.05Å; F145-E236 HydrophobicContact CZ-CG 4.16Å
146	A	96.9	Very high	91.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.9	173.1	0	0	0	0	0	111.1	G125 R148 I231 C233 G234 D235 I237	G125-A146 WeakPolarHBondContact O-CA 3.25Å; A146-R148 VanDerWaalsContact C-N 3.28Å; A146-I231 HydrophobicContact CB-CG2 3.87Å; A146-C233 CarbonylContact O-C 2.86Å; A146-C233 WeakPolarHBondContact O-CA 3.2Å; A146-G234 PolarHBondContact O-N 3.27Å; A146-D235 PolarHBondContact N-O 3.11Å; A146-I237 HydrophobicContact CB-CD1 4.28Å; A146-I237 HydrophobicContact CB-CG1 4.37Å
147	T	95.9	Very high	92.4	Very high	38 Å²	38	50.6 Å²	50.6	23%	0.233	27%	0.27	C	S	.	.	S	Bend	trans	-80.6	-9.9	173.8	61	0	0	0	0	112.9	D122 G125 I126 E127 C233	D122-T147 PolarHBondContact O-OG1 2.72Å; G125-T147 WeakPolarHBondContact CA-OG1 3.43Å; G125-T147 PolarHBondContact O-N 2.73Å; G125-T147 PolarHBondContact O-OG1 3.22Å; I126-T147 PolarHBondContact N-OG1 2.57Å; I126-T147 WeakPolarHBondContact O-CG2 3.09Å; E127-T147 HydrophobicContact CB-CG2 3.67Å; E127-T147 HydrophobicContact CG-CG2 3.8Å; E127-T147 WeakPolarHBondContact OE1-CG2 3.47Å; T147-C233 PolarHBondContact O-SG 3.26Å
148	R	95.1	Very high	93	Very high	113 Å²	113	48.4 Å²	48.4	43%	0.426	26%	0.261	S	S	.	.	S	Bend	trans	-137.8	165.5	178.4	72	-172.6	-171.6	-175	7.4	112	A146 W150	A146-R148 VanDerWaalsContact C-N 3.28Å; R148-W150 HydrophobicContact CG-CD2 4.45Å; R148-W150 HydrophobicContact CG-CZ2 4.37Å
149	D	96.2	Very high	93.5	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	23%	0.227	S	C	.	.			trans	-69.8	131.2	168.5	-82.3	19.1	0	0	0	110.5	I231 K232 C233	D149-I231 CarbonylContact C-O 3.56Å; D149-I231 WeakPolarHBondContact CA-O 3.39Å; D149-K232 VanDerWaalsContact CG-CD 3.45Å; D149-K232 WeakPolarHBondContact OD1-CA 3.33Å; D149-K232 WeakPolarHBondContact OD1-CD 3.23Å; D149-K232 WeakPolarHBondContact OD2-CD 3.34Å; D149-K232 WeakPolarHBondContact OD2-CE 3.45Å; D149-K232 IonicContact OD2-NZ 3.01Å; D149-K232 PolarHBondContact OD2-NZ 3.29Å; D149-C233 PolarHBondContact OD1-N 2.77Å
150	W	96	Very high	93.3	Very high	11 Å²	11	40 Å²	40	4%	0.042	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-116.2	126	172.3	-61.4	87.4	0	0	0	109.1	G125 R148 R155 I156 D230 I231	G125-W150 PolarHBondContact O-NE1 3.07Å; G125-W150 VanDerWaalsContact O-NE1 3.08Å; R148-W150 HydrophobicContact CG-CD2 4.45Å; R148-W150 HydrophobicContact CG-CZ2 4.37Å; W150-R155 WeakPolarHBondContact CZ3-O 3.48Å; W150-I156 HydrophobicContact CD2-CD1 4.32Å; W150-I156 HydrophobicContact CD2-CG1 3.99Å; W150-I156 HydrophobicContact CE3-CG1 3.94Å; W150-I156 HydrophobicContact CH2-CB 4.09Å; W150-I156 HydrophobicContact CH2-CG1 4.14Å; W150-I156 HydrophobicContact CH2-CG2 3.78Å; W150-I156 HydrophobicContact CZ2-CB 4.36Å; W150-I156 HydrophobicContact CZ2-CG1 4.21Å; W150-I156 HydrophobicContact CZ2-CG2 3.75Å; W150-I156 HydrophobicContact CZ3-CB 4.28Å; W150-I156 HydrophobicContact CZ3-CG1 4.02Å; W150-I156 HydrophobicContact CZ3-CG2 4.46Å; W150-D230 CarbonylContact O-C 3.57Å; W150-D230 WeakPolarHBondContact O-CA 3.46Å; W150-I231 HydrophobicContact CB-CB 4.2Å; W150-I231 PolarHBondContact N-O 3.48Å; W150-I231 PolarHBondContact O-N 3.3Å
151	A	96.4	Very high	93.2	Very high	61 Å²	61	35 Å²	35	50%	0.504	19%	0.193	S	C	.	.			trans	-78.3	152.3	177.7	0	0	0	0	0	111.5	G153 S154	A151-G153 PolarHBondContact O-N 3.29Å; A151-S154 PolarHBondContact N-OG 2.95Å; A151-S154 VanDerWaalsContact O-CB 3.3Å; A151-S154 WeakPolarHBondContact O-CB 3.46Å; A151-S154 PolarHBondContact O-N 2.93Å; A151-S154 PolarHBondContact O-OG 3.21Å
152	K	95.7	Very high	93.1	Very high	110 Å²	110	34.7 Å²	34.7	48%	0.478	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	129.6	171.2	178.5	169.6	-180	159.2	0	111.8	S154 A227 K228 D230	K152-S154 VanDerWaalsContact C-N 3.35Å; K152-A227 CarbonylContact C-O 3.53Å; K152-A227 WeakPolarHBondContact CA-O 3.41Å; K152-K228 WeakPolarHBondContact CD-O 3.49Å; K152-K228 WeakPolarHBondContact CE-O 3.49Å; K152-K228 PolarHBondContact NZ-O 3.05Å; K152-D230 PolarHBondContact N-OD1 3.37Å
153	G	93.2	Very high	92.8	Very high	39 Å²	39	34.7 Å²	34.7	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	1.5	-177.1	0	0	0	0	0	114.5	A151 E226 A227	A151-G153 PolarHBondContact O-N 3.29Å; G153-E226 WeakPolarHBondContact CA-OE1 3.22Å; G153-A227 PolarHBondContact N-O 2.9Å
154	S	93.8	Very high	92.4	Very high	33 Å²	33	34.9 Å²	34.9	23%	0.231	19%	0.191	C	C	.	.			trans	-81.5	137.4	171.5	64.9	0	0	0	0	111.4	A151 K152 A227	A151-S154 PolarHBondContact N-OG 2.95Å; A151-S154 VanDerWaalsContact O-CB 3.3Å; A151-S154 WeakPolarHBondContact O-CB 3.46Å; A151-S154 PolarHBondContact O-N 2.93Å; A151-S154 PolarHBondContact O-OG 3.21Å; K152-S154 VanDerWaalsContact C-N 3.35Å; S154-A227 PolarHBondContact O-N 2.81Å
155	R	91.4	Very high	91.9	Very high	114 Å²	114	38.5 Å²	38.5	43%	0.43	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.6	175.1	176.6	179.1	164.7	-172.1	-5.8	110.3	W150 S157 L225	W150-R155 WeakPolarHBondContact CZ3-O 3.48Å; R155-S157 VanDerWaalsContact C-N 3.34Å; R155-S157 PolarHBondContact O-N 3.06Å; R155-S157 VanDerWaalsContact O-N 3.11Å; R155-L225 CarbonylContact C-O 3.03Å; R155-L225 WeakPolarHBondContact CA-O 3.41Å
156	I	92.7	Very high	91.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	80.5	172.4	-50.6	-172.7	0	0	0	107.8	I126 W150 T158 L159 L225 I237	I126-I156 HydrophobicContact CG2-CG2 3.84Å; W150-I156 HydrophobicContact CD2-CD1 4.32Å; W150-I156 HydrophobicContact CD2-CG1 3.99Å; W150-I156 HydrophobicContact CE3-CG1 3.94Å; W150-I156 HydrophobicContact CH2-CB 4.09Å; W150-I156 HydrophobicContact CH2-CG1 4.14Å; W150-I156 HydrophobicContact CH2-CG2 3.78Å; W150-I156 HydrophobicContact CZ2-CB 4.36Å; W150-I156 HydrophobicContact CZ2-CG1 4.21Å; W150-I156 HydrophobicContact CZ2-CG2 3.75Å; W150-I156 HydrophobicContact CZ3-CB 4.28Å; W150-I156 HydrophobicContact CZ3-CG1 4.02Å; W150-I156 HydrophobicContact CZ3-CG2 4.46Å; I156-T158 PolarHBondContact O-N 2.86Å; I156-L159 HydrophobicContact CB-CB 4.37Å; I156-L159 HydrophobicContact CG2-CB 3.56Å; I156-L159 HydrophobicContact CG2-CD2 4.31Å; I156-L159 PolarHBondContact O-N 3.29Å; I156-L225 HydrophobicContact CB-CB 4.4Å; I156-L225 PolarHBondContact N-O 3.25Å; I156-I237 HydrophobicContact CD1-CD1 3.83Å
157	S	89.1	Confident	90.6	Very high	64 Å²	64	43.5 Å²	43.5	45%	0.448	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-22.7	-173.5	53.2	0	0	0	0	114.3	R155 V160	R155-S157 VanDerWaalsContact C-N 3.34Å; R155-S157 PolarHBondContact O-N 3.06Å; R155-S157 VanDerWaalsContact O-N 3.11Å; S157-V160 WeakPolarHBondContact O-CG2 3.35Å
158	T	91.8	Very high	89.8	Confident	13 Å²	13	46.1 Å²	46.1	8%	0.08	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-9.6	-179	44.4	0	0	0	0	114	I20 L118 S124 I156	I20-T158 HydrophobicContact CG2-CG2 4.31Å; L118-T158 WeakPolarHBondContact CD1-O 3.26Å; L118-T158 HydrophobicContact CD2-CG2 4.16Å; S124-T158 PolarHBondContact O-OG1 2.94Å; I156-T158 PolarHBondContact O-N 2.86Å
159	L	91.9	Very high	89.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	80.6	-179.1	-169.7	44.5	0	0	0	109.7	I126 I144 I156 P199 A200 V203 L225 I237	I126-L159 HydrophobicContact CD1-CB 4.02Å; I126-L159 HydrophobicContact CD1-CD1 3.97Å; I126-L159 HydrophobicContact CD1-CG 4.39Å; I126-L159 HydrophobicContact CG2-CD2 4.22Å; I144-L159 HydrophobicContact CG2-CD2 3.87Å; I156-L159 HydrophobicContact CB-CB 4.37Å; I156-L159 HydrophobicContact CG2-CB 3.56Å; I156-L159 HydrophobicContact CG2-CD2 4.31Å; I156-L159 PolarHBondContact O-N 3.29Å; L159-P199 HydrophobicContact CD1-CB 4.13Å; L159-A200 HydrophobicContact CD1-CB 4.01Å; L159-A200 HydrophobicContact CG-CB 4.24Å; L159-V203 HydrophobicContact CD1-CG2 4.11Å; L159-V203 HydrophobicContact CD2-CG2 3.75Å; L159-V203 HydrophobicContact CG-CG2 4.1Å; L159-L225 HydrophobicContact CB-CD1 4.48Å; L159-L225 HydrophobicContact CD2-CD1 3.75Å; L159-L225 HydrophobicContact CG-CD1 3.88Å; L159-I237 HydrophobicContact CD2-CD1 4.14Å; L159-I237 HydrophobicContact CD2-CG2 4.49Å
160	V	83.2	Confident	88.8	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.7	-175.3	-175.9	0	0	0	0	110.6	S157 A200	S157-V160 WeakPolarHBondContact O-CG2 3.35Å; V160-A200 WeakPolarHBondContact O-CB 3.2Å; V160-A200 PolarHBondContact O-N 2.66Å
161	G	83.8	Confident	88	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.9	164.2	0	0	0	0	0	110.7	L197 M223	G161-L197 CarbonylContact C-O 3.53Å; G161-L197 WeakPolarHBondContact CA-O 3.46Å; G161-M223 PolarHBondContact O-N 2.95Å; G161-M223 VanDerWaalsContact O-N 3.1Å
162	C	88.9	Confident	87.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.3	170.1	-65.8	0	0	0	0	109.2	L34 R115 W196 L197	L34-C162 HydrophobicContact CD1-CB 3.67Å; L34-C162 HydrophobicContact CD2-CB 3.97Å; L34-C162 HydrophobicContact CG-CB 4.47Å; R115-C162 VanDerWaalsContact CD-SG 3.59Å; R115-C162 PolarHBondContact NE-SG 3.32Å; C162-W196 WeakPolarHBondContact O-CA 3.29Å; C162-L197 PolarHBondContact N-O 3.16Å; C162-L197 PolarHBondContact O-N 2.99Å
163	I	87	Confident	86.6	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	109.4	-176.8	-54.5	172.5	0	0	0	110.1	H27 Q194 L195 W196 I215 A221 M223	H27-I163 PolarHBondContact NE2-N 3.18Å; H27-I163 PolarHBondContact NE2-O 3.4Å; I163-Q194 HydrophobicContact CG2-CB 3.82Å; I163-Q194 HydrophobicContact CG2-CG 4.08Å; I163-L195 WeakPolarHBondContact CA-O 3.47Å; I163-W196 HydrophobicContact CD1-CD2 4.14Å; I163-W196 HydrophobicContact CD1-CH2 4.34Å; I163-W196 HydrophobicContact CD1-CZ2 3.84Å; I163-W196 HydrophobicContact CG1-CD2 4.11Å; I163-W196 HydrophobicContact CG1-CG 4.12Å; I163-I215 HydrophobicContact CD1-CG2 3.67Å; I163-A221 VanDerWaalsContact CB-O 3.29Å; I163-A221 WeakPolarHBondContact CB-O 3.39Å; I163-A221 WeakPolarHBondContact CG1-O 3.43Å; I163-A221 PolarHBondContact N-O 3.03Å; I163-M223 HydrophobicContact CD1-CB 4.27Å
164	A	88	Confident	86.1	Confident	6 Å²	6	44 Å²	44	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.3	169.1	0	0	0	0	0	111.3	W31 L34 Q194 L195	W31-A164 HydrophobicContact CB-CB 3.69Å; L34-A164 HydrophobicContact CD2-CB 3.69Å; A164-Q194 CarbonylContact O-C 3.59Å; A164-Q194 WeakPolarHBondContact O-CA 3.25Å; A164-L195 PolarHBondContact N-O 3Å; A164-L195 PolarHBondContact O-N 3.43Å
165	E	86.1	Confident	85.6	Confident	76 Å²	76	43.6 Å²	43.6	36%	0.355	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.4	176.5	-81.1	158.7	-156.3	0	0	110.6	K190 Q194	E165-K190 VanDerWaalsContact CD-CD 3.43Å; E165-K190 WeakPolarHBondContact OE1-CD 3.49Å; E165-K190 WeakPolarHBondContact OE1-CE 3.18Å; E165-K190 IonicContact OE1-NZ 2.83Å; E165-K190 PolarHBondContact OE1-NZ 3.3Å; E165-K190 VanDerWaalsContact OE2-CD 3.27Å; E165-K190 WeakPolarHBondContact OE2-CD 3.41Å; E165-K190 IonicContact OE2-NZ 2.62Å; E165-K190 PolarHBondContact OE2-NZ 3.18Å; E165-Q194 HydrophobicContact CG-CG 3.81Å; E165-Q194 PolarHBondContact OE1-NE2 3.05Å
166	L	83.2	Confident	84.9	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.9	174.6	-75.5	79.9	0	0	0	109.2	W31 E170 E171 F174 L175 S193 L195	W31-L166 HydrophobicContact CB-CD1 3.77Å; W31-L166 HydrophobicContact CB-CG 4.08Å; W31-L166 HydrophobicContact CD2-CD2 4.38Å; W31-L166 HydrophobicContact CD2-CG 4.18Å; W31-L166 HydrophobicContact CG-CD1 4.14Å; W31-L166 HydrophobicContact CG-CG 3.87Å; L166-E170 HydrophobicContact CB-CB 4.37Å; L166-E171 HydrophobicContact CB-CB 4.42Å; L166-F174 HydrophobicContact CD2-CD1 4.34Å; L166-L175 HydrophobicContact CD2-CD1 4.21Å; L166-L175 HydrophobicContact CD2-CD2 4.49Å; L166-L175 HydrophobicContact CD2-CG 4.23Å; L166-S193 PolarHBondContact N-O 2.96Å; L166-L195 HydrophobicContact CD1-CB 3.47Å; L166-L195 VanDerWaalsContact CD1-CB 3.47Å; L166-L195 HydrophobicContact CD1-CD2 4.28Å
167	K	84	Confident	83.9	Confident	127 Å²	127	47.5 Å²	47.5	55%	0.552	26%	0.256	S	S	*	.			trans	-71.2	160.2	166.2	-57.2	160.8	-164	150.7	0	109.1	H169 E170 E171	K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 2.64Å; K167-E170 HydrophobicContact CB-CG 4.14Å; K167-E170 WeakPolarHBondContact CB-OE2 3.35Å; K167-E170 WeakPolarHBondContact CD-OE2 3.34Å; K167-E170 WeakPolarHBondContact CG-OE2 3.29Å; K167-E170 PolarHBondContact N-OE2 3.01Å; K167-E170 IonicContact NZ-OE1 2.77Å; K167-E170 WeakPolarHBondContact O-CA 3.5Å; K167-E170 WeakPolarHBondContact O-CB 3.39Å; K167-E170 PolarHBondContact O-N 2.98Å; K167-E171 PolarHBondContact O-N 2.86Å
168	H	78.5	Confident	82.9	Confident	93 Å²	93	51.1 Å²	51.1	43%	0.431	27%	0.265	S	S	.	.	H	α-helix	trans	-51.2	-44.6	-176.9	-176.5	11.9	0	0	0	114.7	E170 E171 A172 R629	H168-E170 VanDerWaalsContact C-N 3.3Å; H168-E170 PolarHBondContact O-N 3.24Å; H168-E171 IonicContact ND1-OE2 2.71Å; H168-A172 WeakPolarHBondContact O-CB 3.35Å; H168-A172 PolarHBondContact O-N 3.2Å; H168-R629 PolarHBondContact CD2-NH1 3.29Å; H168-R629 PolarHBondContact CD2-NH2 3.35Å; H168-R629 VanDerWaalsContact CD2-NH2 3.34Å; H168-R629 PolarHBondContact CE1-NH1 3.42Å; H168-R629 VanDerWaalsContact CE1-NH1 3.29Å; H168-R629 PolarHBondContact ND1-NH1 3.2Å; H168-R629 PolarHBondContact NE2-NH1 3.36Å
169	H	84.5	Confident	82.1	Confident	128 Å²	128	55.7 Å²	55.7	59%	0.593	28%	0.284	S	S	*	.	H	α-helix	trans	-72	-25.7	-179.7	60.8	-100.8	0	0	0	112.7	K167 A173	K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 2.64Å; H169-A173 WeakPolarHBondContact O-CB 3.5Å; H169-A173 PolarHBondContact O-N 2.71Å; H169-A173 VanDerWaalsContact O-N 3.12Å
170	E	86.5	Confident	81.4	Confident	33 Å²	33	56 Å²	56	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-76.2	-45.9	177	-56.6	176.1	124.6	0	0	109.7	W31 L166 K167 H168 A172 A173 F174	W31-E170 HydrophobicContact CZ2-CB 3.72Å; W31-E170 HydrophobicContact CZ2-CG 4.07Å; W31-E170 PolarHBondContact NE1-OE1 3.1Å; W31-E170 PolarHBondContact NE1-OE2 2.97Å; L166-E170 HydrophobicContact CB-CB 4.37Å; K167-E170 HydrophobicContact CB-CG 4.14Å; K167-E170 WeakPolarHBondContact CB-OE2 3.35Å; K167-E170 WeakPolarHBondContact CD-OE2 3.34Å; K167-E170 WeakPolarHBondContact CG-OE2 3.29Å; K167-E170 PolarHBondContact N-OE2 3.01Å; K167-E170 IonicContact NZ-OE1 2.77Å; K167-E170 WeakPolarHBondContact O-CA 3.5Å; K167-E170 WeakPolarHBondContact O-CB 3.39Å; K167-E170 PolarHBondContact O-N 2.98Å; H168-E170 VanDerWaalsContact C-N 3.3Å; H168-E170 PolarHBondContact O-N 3.24Å; E170-A172 PolarHBondContact O-N 3.4Å; E170-A173 PolarHBondContact O-N 3.28Å; E170-F174 VanDerWaalsContact O-CB 3.24Å; E170-F174 WeakPolarHBondContact O-CB 3.42Å; E170-F174 PolarHBondContact O-N 3.27Å
171	E	79.4	Confident	81.2	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-51	-53.6	168.4	157.3	173.9	-106.6	0	0	111.5	L166 K167 H168 A173 L175 S193 R629	L166-E171 HydrophobicContact CB-CB 4.42Å; K167-E171 PolarHBondContact O-N 2.86Å; H168-E171 IonicContact ND1-OE2 2.71Å; E171-A173 PolarHBondContact O-N 3Å; E171-L175 HydrophobicContact CB-CD1 4.43Å; E171-L175 HydrophobicContact CG-CD1 4.31Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 PolarHBondContact O-N 3.16Å; E171-S193 VanDerWaalsContact OE1-CB 3.26Å; E171-S193 WeakPolarHBondContact OE1-CB 3.33Å; E171-S193 PolarHBondContact OE1-OG 2.95Å; E171-R629 IonicContact OE2-NH1 3.22Å; E171-R629 PolarHBondContact OE2-NH1 2.94Å
172	A	78	Confident	80.6	Confident	76 Å²	76	60.2 Å²	60.2	63%	0.628	31%	0.305	S	S	*	.	H	α-helix	trans	-69.1	-27.6	-176.5	0	0	0	0	0	114.4	H168 E170	H168-A172 WeakPolarHBondContact O-CB 3.35Å; H168-A172 PolarHBondContact O-N 3.2Å; E170-A172 PolarHBondContact O-N 3.4Å
173	A	83.8	Confident	80.1	Confident	88 Å²	88	60.9 Å²	60.9	73%	0.727	31%	0.31	S	S	*	.	H	α-helix	trans	-89.6	-25.6	-179.7	0	0	0	0	0	113.9	H169 E170 E171	H169-A173 WeakPolarHBondContact O-CB 3.5Å; H169-A173 PolarHBondContact O-N 2.71Å; H169-A173 VanDerWaalsContact O-N 3.12Å; E170-A173 PolarHBondContact O-N 3.28Å; E171-A173 PolarHBondContact O-N 3Å
174	F	82.9	Confident	79.7	Confident	35 Å²	35	60.5 Å²	60.5	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-108.6	-36	-172.1	179.9	-119.3	0	0	0	114.6	W31 A35 M57 T58 L166 E170 K176 N180	W31-F174 AromaticContact CE3-CD1 3.74Å; W31-F174 HydrophobicContact CE3-CD1 3.74Å; W31-F174 AromaticContact CE3-CE1 3.91Å; W31-F174 HydrophobicContact CE3-CE1 3.91Å; W31-F174 HydrophobicContact CE3-CG 4.15Å; W31-F174 HydrophobicContact CE3-CZ 4.46Å; W31-F174 HydrophobicContact CH2-CB 3.69Å; W31-F174 HydrophobicContact CH2-CD1 4.2Å; W31-F174 HydrophobicContact CH2-CD2 4.15Å; W31-F174 AromaticContact CH2-CG 3.77Å; W31-F174 HydrophobicContact CH2-CG 3.77Å; W31-F174 HydrophobicContact CZ3-CB 3.73Å; W31-F174 AromaticContact CZ3-CD1 3.34Å; W31-F174 HydrophobicContact CZ3-CD1 3.34Å; W31-F174 AromaticContact CZ3-CD2 3.62Å; W31-F174 HydrophobicContact CZ3-CD2 3.62Å; W31-F174 AromaticContact CZ3-CE1 3.73Å; W31-F174 HydrophobicContact CZ3-CE1 3.73Å; W31-F174 HydrophobicContact CZ3-CE2 4Å; W31-F174 AromaticContact CZ3-CG 3.27Å; W31-F174 HydrophobicContact CZ3-CG 3.27Å; W31-F174 HydrophobicContact CZ3-CZ 4.05Å; A35-F174 HydrophobicContact CB-CE1 4.46Å; A35-F174 HydrophobicContact CB-CZ 4.05Å; M57-F174 HydrophobicContact CB-CZ 4.29Å; M57-F174 HydrophobicContact CE-CE1 3.57Å; M57-F174 HydrophobicContact CE-CZ 4.1Å; M57-F174 WeakPolarHBondContact O-CZ 3.46Å; T58-F174 HydrophobicContact CG2-CZ 4.48Å; L166-F174 HydrophobicContact CD2-CD1 4.34Å; E170-F174 VanDerWaalsContact O-CB 3.24Å; E170-F174 WeakPolarHBondContact O-CB 3.42Å; E170-F174 PolarHBondContact O-N 3.27Å; F174-K176 PolarHBondContact O-N 2.8Å; F174-N180 PolarHBondContact O-ND2 2.97Å
175	L	82.9	Confident	79	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	31%	0.312	C	S	.	.			trans	-84.7	109	-173.2	-61.6	-179.9	0	0	0	111	M57 L166 E171 N180 V184	M57-L175 HydrophobicContact CE-CD2 4.21Å; L166-L175 HydrophobicContact CD2-CD1 4.21Å; L166-L175 HydrophobicContact CD2-CD2 4.49Å; L166-L175 HydrophobicContact CD2-CG 4.23Å; E171-L175 HydrophobicContact CB-CD1 4.43Å; E171-L175 HydrophobicContact CG-CD1 4.31Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 PolarHBondContact O-N 3.16Å; L175-N180 WeakPolarHBondContact CA-OD1 3.42Å; L175-V184 HydrophobicContact CD1-CB 4.38Å; L175-V184 HydrophobicContact CD1-CG1 3.9Å; L175-V184 HydrophobicContact CD1-CG2 3.86Å; L175-V184 HydrophobicContact CD2-CG2 3.87Å
176	K	77.1	Confident	78.4	Confident	101 Å²	101	59.9 Å²	59.9	44%	0.439	30%	0.303	S	S	.	.			trans	-94.9	114.2	175.3	-61.6	175.5	-171.7	-180	0	107.7	D59 F174 K179 N180	D59-K176 IonicContact OD2-NZ 3.88Å; D59-K176 PolarHBondContact OD2-NZ 3.46Å; F174-K176 PolarHBondContact O-N 2.8Å; K176-K179 HydrophobicContact CB-CB 4.06Å; K176-K179 HydrophobicContact CB-CD 4.44Å; K176-K179 HydrophobicContact CD-CD 4.25Å; K176-K179 WeakPolarHBondContact O-CB 3.42Å; K176-K179 PolarHBondContact O-N 3.29Å; K176-N180 PolarHBondContact N-OD1 3.38Å; K176-N180 PolarHBondContact O-N 3.22Å; K176-N180 PolarHBondContact O-OD1 3.21Å
177	H	72.3	Confident	77.9	Confident	96 Å²	96	60.3 Å²	60.3	44%	0.444	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	139.3	-178.3	-71.7	-48	0	0	0	112.8	K179 D181	H177-K179 PolarHBondContact O-N 3.02Å; H177-D181 WeakPolarHBondContact CA-OD2 3.46Å; H177-D181 IonicContact CG-OD2 3.25Å; H177-D181 IonicContact ND1-OD2 2.71Å; H177-D181 PolarHBondContact ND1-OD2 3.16Å; H177-D181 VanDerWaalsContact ND1-OD2 3.15Å
178	H	68.2	Low	77.4	Confident	140 Å²	140	58.2 Å²	58.2	65%	0.648	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	17	-176.5	-61.5	-85.4	0	0	0	114.9	D181	H178-D181 WeakPolarHBondContact CA-OD1 3.4Å; H178-D181 PolarHBondContact N-OD1 3.31Å; H178-D181 PolarHBondContact N-OD2 3.27Å
179	K	74	Confident	77	Confident	110 Å²	110	60.1 Å²	60.1	48%	0.478	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-57.1	179	-176.4	167.7	178.7	170.1	0	113.1	D59 K176 H177	D59-K179 VanDerWaalsContact OD1-CE 3.3Å; D59-K179 WeakPolarHBondContact OD1-CE 3.37Å; D59-K179 IonicContact OD1-NZ 2.75Å; D59-K179 PolarHBondContact OD1-NZ 3.13Å; D59-K179 IonicContact OD2-NZ 2.71Å; K176-K179 HydrophobicContact CB-CB 4.06Å; K176-K179 HydrophobicContact CB-CD 4.44Å; K176-K179 HydrophobicContact CD-CD 4.25Å; K176-K179 WeakPolarHBondContact O-CB 3.42Å; K176-K179 PolarHBondContact O-N 3.29Å; H177-K179 PolarHBondContact O-N 3.02Å
180	N	78.3	Confident	76.4	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.037	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	18.6	-178.9	67.2	-9.8	0	0	0	113.6	M57 F174 L175 K176	M57-N180 HydrophobicContact CE-CB 3.95Å; M57-N180 WeakPolarHBondContact CE-O 3.22Å; M57-N180 WeakPolarHBondContact O-CB 3.38Å; M57-N180 PolarHBondContact O-ND2 3.11Å; M57-N180 HydrophobicContact SD-CB 4.16Å; F174-N180 PolarHBondContact O-ND2 2.97Å; L175-N180 WeakPolarHBondContact CA-OD1 3.42Å; K176-N180 PolarHBondContact N-OD1 3.38Å; K176-N180 PolarHBondContact O-N 3.22Å; K176-N180 PolarHBondContact O-OD1 3.21Å
181	D	77.4	Confident	76	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	31%	0.309	C	S	.	.			trans	-94.5	10.8	174.7	58.8	-13.2	0	0	0	114	H177 H178 S183 V184	H177-D181 WeakPolarHBondContact CA-OD2 3.46Å; H177-D181 IonicContact CG-OD2 3.25Å; H177-D181 IonicContact ND1-OD2 2.71Å; H177-D181 PolarHBondContact ND1-OD2 3.16Å; H177-D181 VanDerWaalsContact ND1-OD2 3.15Å; H178-D181 WeakPolarHBondContact CA-OD1 3.4Å; H178-D181 PolarHBondContact N-OD1 3.31Å; H178-D181 PolarHBondContact N-OD2 3.27Å; D181-S183 VanDerWaalsContact C-N 3.33Å; D181-S183 PolarHBondContact O-N 3.02Å; D181-V184 PolarHBondContact O-N 3.45Å
182	F	72.7	Confident	75.8	Confident	59 Å²	59	59.7 Å²	59.7	26%	0.259	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.1	-173.2	59.3	-96.4	0	0	0	115.1	H55 M57 L197	H55-F182 HydrophobicContact CB-CD1 4.21Å; H55-F182 HydrophobicContact CB-CD2 4.24Å; H55-F182 HydrophobicContact CB-CE1 3.86Å; H55-F182 HydrophobicContact CB-CE2 3.89Å; H55-F182 HydrophobicContact CB-CG 4.41Å; H55-F182 HydrophobicContact CB-CZ 3.69Å; H55-F182 AromaticContact CD2-CE2 3.37Å; H55-F182 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F182 AromaticContact CD2-CZ 3.51Å; H55-F182 AromaticContact CG-CE2 3.49Å; H55-F182 VanDerWaalsContact CG-CE2 3.49Å; H55-F182 AromaticContact CG-CZ 3.68Å; H55-F182 AromaticContact ND1-CE2 3.91Å; H55-F182 AromaticContact NE2-CE2 3.77Å; M57-F182 HydrophobicContact CG-CE1 4.39Å; M57-F182 HydrophobicContact CG-CZ 3.97Å; M57-F182 HydrophobicContact SD-CD1 4.46Å; M57-F182 HydrophobicContact SD-CE1 3.52Å; M57-F182 VanDerWaalsContact SD-CE1 3.52Å; M57-F182 HydrophobicContact SD-CE2 4.25Å; M57-F182 HydrophobicContact SD-CZ 3.39Å; M57-F182 WeakPolarHBondContact SD-CZ 3.49Å; F182-L197 HydrophobicContact CE2-CD2 4.46Å
183	S	78.1	Confident	75.9	Confident	14 Å²	14	56 Å²	56	10%	0.098	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	24.2	-179.4	67	0	0	0	0	113.9	D181 W196	D181-S183 VanDerWaalsContact C-N 3.33Å; D181-S183 PolarHBondContact O-N 3.02Å; S183-W196 WeakPolarHBondContact CB-O 3.1Å; S183-W196 WeakPolarHBondContact O-CB 3.33Å; S183-W196 PolarHBondContact O-N 3.26Å; S183-W196 VanDerWaalsContact O-N 3.07Å; S183-W196 PolarHBondContact OG-O 3.45Å
184	V	77.3	Confident	75.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.5	177.1	-178	0	0	0	0	110.1	L175 D181 Q194 L195 N625	L175-V184 HydrophobicContact CD1-CB 4.38Å; L175-V184 HydrophobicContact CD1-CG1 3.9Å; L175-V184 HydrophobicContact CD1-CG2 3.86Å; L175-V184 HydrophobicContact CD2-CG2 3.87Å; D181-V184 PolarHBondContact O-N 3.45Å; V184-Q194 WeakPolarHBondContact CA-O 3.17Å; V184-L195 HydrophobicContact CG2-CD1 4.1Å; V184-N625 WeakPolarHBondContact CG1-ND2 3.43Å; V184-N625 PolarHBondContact O-ND2 3.48Å
185	M	74.7	Confident	76	Confident	28 Å²	28	50.4 Å²	50.4	14%	0.138	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	176.4	-65.7	-148.2	-62.6	0	0	111.9	Q194 W196 F213	M185-Q194 PolarHBondContact N-O 2.84Å; M185-Q194 WeakPolarHBondContact O-CB 3.42Å; M185-Q194 PolarHBondContact O-N 2.9Å; M185-W196 HydrophobicContact CE-CD2 3.73Å; M185-W196 HydrophobicContact CE-CE3 3.57Å; M185-W196 HydrophobicContact CE-CH2 3.25Å; M185-W196 HydrophobicContact CE-CZ2 3.4Å; M185-W196 HydrophobicContact CE-CZ3 3.32Å; M185-F213 HydrophobicContact CE-CE1 4.29Å; M185-F213 HydrophobicContact CE-CE2 4.32Å; M185-F213 HydrophobicContact CE-CZ 3.87Å
186	Y	72.1	Confident	76.2	Confident	40 Å²	40	49.9 Å²	49.9	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.4	-178.7	-178.3	-102.6	0	0	0	112.6	N191 R629 A632	Y186-N191 PolarHBondContact OH-OD1 3.02Å; Y186-R629 HydrophobicContact CD2-CB 4.13Å; Y186-R629 HydrophobicContact CD2-CG 4.47Å; Y186-R629 HydrophobicContact CE2-CB 3.78Å; Y186-R629 HydrophobicContact CE2-CG 3.68Å; Y186-A632 HydrophobicContact CE1-CB 3.68Å
187	S	73.1	Confident	76.9	Confident	12 Å²	12	45 Å²	45	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	98	-178.6	-176.5	0	0	0	0	111.8	R189 K190 N191 C192	S187-R189 PolarHBondContact O-N 2.95Å; S187-R189 VanDerWaalsContact O-N 3.11Å; S187-K190 PolarHBondContact O-N 2.71Å; S187-N191 PolarHBondContact O-N 3.49Å; S187-C192 PolarHBondContact N-O 2.76Å
188	S	72.6	Confident	77.8	Confident	82 Å²	82	40.5 Å²	40.5	57%	0.573	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.5	175.7	-46.2	0	0	0	0	113.9
189	R	70.4	Confident	79	Confident	133 Å²	133	33.9 Å²	33.9	50%	0.502	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-31.2	174.9	178.1	176.1	171	-154	-13.2	112.5	S187 D218	S187-R189 PolarHBondContact O-N 2.95Å; S187-R189 VanDerWaalsContact O-N 3.11Å; R189-D218 IonicContact CZ-OD1 3.84Å; R189-D218 IonicContact NH1-OD1 3.94Å; R189-D218 PolarHBondContact NH1-OD1 3.38Å; R189-D218 IonicContact NH1-OD2 3.4Å; R189-D218 IonicContact NH2-OD1 3.9Å; R189-D218 PolarHBondContact NH2-OD1 2.94Å
190	K	73.4	Confident	79.9	Confident	81 Å²	81	28.8 Å²	28.8	35%	0.352	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-1.4	-176.8	-66.7	-168.7	173.6	-170.6	0	113.8	E165 S187 C192 C217	E165-K190 VanDerWaalsContact CD-CD 3.43Å; E165-K190 WeakPolarHBondContact OE1-CD 3.49Å; E165-K190 WeakPolarHBondContact OE1-CE 3.18Å; E165-K190 IonicContact OE1-NZ 2.83Å; E165-K190 PolarHBondContact OE1-NZ 3.3Å; E165-K190 VanDerWaalsContact OE2-CD 3.27Å; E165-K190 WeakPolarHBondContact OE2-CD 3.41Å; E165-K190 IonicContact OE2-NZ 2.62Å; E165-K190 PolarHBondContact OE2-NZ 3.18Å; S187-K190 PolarHBondContact O-N 2.71Å; K190-C192 PolarHBondContact O-N 2.75Å; K190-C217 PolarHBondContact NZ-O 3.34Å
191	N	76.3	Confident	80.5	Confident	68 Å²	68	29.5 Å²	29.5	36%	0.364	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.5	-176.8	-159.9	66	0	0	0	113.3	Y186 S187	Y186-N191 PolarHBondContact OH-OD1 3.02Å; S187-N191 PolarHBondContact O-N 3.49Å
192	C	77.3	Confident	81.3	Confident	21 Å²	21	28 Å²	28	14%	0.142	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.7	-174.6	74.9	0	0	0	0	111.6	S187 K190	S187-C192 PolarHBondContact N-O 2.76Å; K190-C192 PolarHBondContact O-N 2.75Å
193	S	79.9	Confident	82.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146.2	168.4	-72.8	0	0	0	0	110.7	L166 E171	L166-S193 PolarHBondContact N-O 2.96Å; E171-S193 VanDerWaalsContact OE1-CB 3.26Å; E171-S193 WeakPolarHBondContact OE1-CB 3.33Å; E171-S193 PolarHBondContact OE1-OG 2.95Å
194	Q	83.1	Confident	83.1	Confident	5 Å²	5	25.2 Å²	25.2	2%	0.023	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.1	179.9	-70.4	-173.5	-36.1	0	0	109.3	I163 A164 E165 V184 M185	I163-Q194 HydrophobicContact CG2-CB 3.82Å; I163-Q194 HydrophobicContact CG2-CG 4.08Å; A164-Q194 CarbonylContact O-C 3.59Å; A164-Q194 WeakPolarHBondContact O-CA 3.25Å; E165-Q194 HydrophobicContact CG-CG 3.81Å; E165-Q194 PolarHBondContact OE1-NE2 3.05Å; V184-Q194 WeakPolarHBondContact CA-O 3.17Å; M185-Q194 PolarHBondContact N-O 2.84Å; M185-Q194 WeakPolarHBondContact O-CB 3.42Å; M185-Q194 PolarHBondContact O-N 2.9Å
195	L	85.4	Confident	83.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.7	176.5	170.5	57.7	0	0	0	109.1	W31 M57 I163 A164 L166 V184 L197	W31-L195 HydrophobicContact CB-CD2 4.42Å; M57-L195 HydrophobicContact CE-CD1 3.42Å; M57-L195 VanDerWaalsContact CE-CD1 3.42Å; M57-L195 HydrophobicContact CE-CD2 3.86Å; M57-L195 HydrophobicContact CE-CG 4.29Å; M57-L195 HydrophobicContact SD-CD1 3.73Å; I163-L195 WeakPolarHBondContact CA-O 3.47Å; A164-L195 PolarHBondContact N-O 3Å; A164-L195 PolarHBondContact O-N 3.43Å; L166-L195 HydrophobicContact CD1-CB 3.47Å; L166-L195 VanDerWaalsContact CD1-CB 3.47Å; L166-L195 HydrophobicContact CD1-CD2 4.28Å; V184-L195 HydrophobicContact CG2-CD1 4.1Å; L195-L197 HydrophobicContact CD1-CD1 3.88Å; L195-L197 HydrophobicContact CD1-CD2 4.01Å; L195-L197 HydrophobicContact CD1-CG 3.78Å; L195-L197 HydrophobicContact CD2-CD1 3.73Å; L195-L197 HydrophobicContact CD2-CG 4.5Å; L195-L197 HydrophobicContact CG-CD1 3.62Å; L195-L197 HydrophobicContact CG-CG 3.85Å
196	W	87.2	Confident	84.8	Confident	13 Å²	13	24.2 Å²	24.2	5%	0.049	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.6	-174.3	-69	35.8	0	0	0	109.5	C162 I163 S183 M185 F213 I215 M223	C162-W196 WeakPolarHBondContact O-CA 3.29Å; I163-W196 HydrophobicContact CD1-CD2 4.14Å; I163-W196 HydrophobicContact CD1-CH2 4.34Å; I163-W196 HydrophobicContact CD1-CZ2 3.84Å; I163-W196 HydrophobicContact CG1-CD2 4.11Å; I163-W196 HydrophobicContact CG1-CG 4.12Å; S183-W196 WeakPolarHBondContact CB-O 3.1Å; S183-W196 WeakPolarHBondContact O-CB 3.33Å; S183-W196 PolarHBondContact O-N 3.26Å; S183-W196 VanDerWaalsContact O-N 3.07Å; S183-W196 PolarHBondContact OG-O 3.45Å; M185-W196 HydrophobicContact CE-CD2 3.73Å; M185-W196 HydrophobicContact CE-CE3 3.57Å; M185-W196 HydrophobicContact CE-CH2 3.25Å; M185-W196 HydrophobicContact CE-CZ2 3.4Å; M185-W196 HydrophobicContact CE-CZ3 3.32Å; W196-F213 AromaticContact CH2-CD2 3.69Å; W196-F213 HydrophobicContact CH2-CD2 3.69Å; W196-F213 AromaticContact CH2-CE2 3.7Å; W196-F213 HydrophobicContact CH2-CE2 3.7Å; W196-F213 HydrophobicContact CH2-CG 4.32Å; W196-F213 HydrophobicContact CH2-CZ 4.31Å; W196-F213 HydrophobicContact CZ3-CD2 4.04Å; W196-F213 HydrophobicContact CZ3-CE2 4.27Å; W196-F213 HydrophobicContact CZ3-CG 4.2Å; W196-I215 HydrophobicContact CH2-CD1 3.64Å; W196-I215 HydrophobicContact CH2-CG1 3.58Å; W196-I215 HydrophobicContact CZ2-CD1 3.52Å; W196-I215 HydrophobicContact CZ2-CG1 3.82Å; W196-M223 HydrophobicContact CE3-CB 4.36Å; W196-M223 HydrophobicContact CE3-CE 3.58Å; W196-M223 HydrophobicContact CE3-SD 3.79Å; W196-M223 HydrophobicContact CZ3-CB 4.09Å; W196-M223 HydrophobicContact CZ3-CE 3.91Å; W196-M223 HydrophobicContact CZ3-CG 4.14Å; W196-M223 HydrophobicContact CZ3-SD 3.44Å; W196-M223 WeakPolarHBondContact CZ3-SD 3.35Å
197	L	91.3	Very high	85.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	175.2	-170.1	-70.1	174.9	0	0	0	112.4	L34 D38 M57 G161 C162 F182 L195	L34-L197 HydrophobicContact CD2-CB 4.14Å; L34-L197 HydrophobicContact CD2-CD1 4.08Å; L34-L197 HydrophobicContact CG-CB 4.22Å; L34-L197 HydrophobicContact CG-CD1 3.87Å; D38-L197 HydrophobicContact CB-CB 4.26Å; D38-L197 HydrophobicContact CB-CD1 4.09Å; D38-L197 HydrophobicContact CB-CD2 4.47Å; D38-L197 WeakPolarHBondContact OD2-CD2 3.25Å; M57-L197 HydrophobicContact CG-CD1 4.03Å; M57-L197 HydrophobicContact CG-CD2 3.71Å; M57-L197 HydrophobicContact SD-CD2 4.05Å; G161-L197 CarbonylContact C-O 3.53Å; G161-L197 WeakPolarHBondContact CA-O 3.46Å; C162-L197 PolarHBondContact N-O 3.16Å; C162-L197 PolarHBondContact O-N 2.99Å; F182-L197 HydrophobicContact CE2-CD2 4.46Å; L195-L197 HydrophobicContact CD1-CD1 3.88Å; L195-L197 HydrophobicContact CD1-CD2 4.01Å; L195-L197 HydrophobicContact CD1-CG 3.78Å; L195-L197 HydrophobicContact CD2-CD1 3.73Å; L195-L197 HydrophobicContact CD2-CG 4.5Å; L195-L197 HydrophobicContact CG-CD1 3.62Å; L195-L197 HydrophobicContact CG-CG 3.85Å
198	G	91.5	Very high	86.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	84.5	-172.2	-172.1	0	0	0	0	0	113.4	D38 A200 A201	D38-G198 WeakPolarHBondContact OD1-CA 3.34Å; D38-G198 PolarHBondContact OD1-N 2.8Å; G198-A200 PolarHBondContact O-N 3.14Å; G198-A201 VanDerWaalsContact O-CB 3.31Å; G198-A201 WeakPolarHBondContact O-CB 3.42Å; G198-A201 PolarHBondContact O-N 2.88Å
199	P	93	Very high	87.6	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-52.2	-30.1	-170.6	-30	34.9	0	0	0	116.2	R115 Y116 L119 L159 A201 Y202	R115-P199 VanDerWaalsContact C-CG 3.44Å; R115-P199 HydrophobicContact CB-CG 3.83Å; R115-P199 VanDerWaalsContact O-CG 3.24Å; R115-P199 WeakPolarHBondContact O-CG 3.23Å; Y116-P199 HydrophobicContact CG-CG 4.49Å; L119-P199 HydrophobicContact CD1-CB 4.17Å; L119-P199 HydrophobicContact CD2-CB 4.01Å; L119-P199 HydrophobicContact CG-CB 4.11Å; L159-P199 HydrophobicContact CD1-CB 4.13Å; P199-A201 VanDerWaalsContact C-N 3.29Å; P199-A201 PolarHBondContact O-N 3.32Å; P199-Y202 WeakPolarHBondContact O-CD2 3.3Å
200	A	92.1	Very high	88.8	Confident	3 Å²	3	17.9 Å²	17.9	3%	0.025	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-77.2	-9.4	179.6	0	0	0	0	0	114.5	L159 V160 G198 Y202 V203 M223	L159-A200 HydrophobicContact CD1-CB 4.01Å; L159-A200 HydrophobicContact CG-CB 4.24Å; V160-A200 WeakPolarHBondContact O-CB 3.2Å; V160-A200 PolarHBondContact O-N 2.66Å; G198-A200 PolarHBondContact O-N 3.14Å; A200-Y202 PolarHBondContact O-N 3.47Å; A200-V203 HydrophobicContact CB-CG2 4.45Å; A200-V203 WeakPolarHBondContact O-CB 3.41Å; A200-V203 WeakPolarHBondContact O-CG2 3.34Å; A200-V203 PolarHBondContact O-N 3.49Å; A200-M223 HydrophobicContact CB-CE 3.38Å
201	A	92	Very high	89.8	Confident	23 Å²	23	14 Å²	14	19%	0.19	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-68	-18.6	172.1	0	0	0	0	0	113.1	G198 P199 V203	G198-A201 VanDerWaalsContact O-CB 3.31Å; G198-A201 WeakPolarHBondContact O-CB 3.42Å; G198-A201 PolarHBondContact O-N 2.88Å; P199-A201 VanDerWaalsContact C-N 3.29Å; P199-A201 PolarHBondContact O-N 3.32Å; A201-V203 VanDerWaalsContact C-N 3.3Å
202	Y	93.9	Very high	90.5	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.02	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-85.4	6.9	174	-59.3	-84.1	0	0	0	113.9	V46 T54 H55 Y116 I128 A142 P199 A200 N204	V46-Y202 HydrophobicContact CG1-CE1 4.46Å; T54-Y202 HydrophobicContact CG2-CE1 4.03Å; T54-Y202 PolarHBondContact OG1-OH 3.32Å; H55-Y202 AromaticContact CE1-CD1 3.58Å; H55-Y202 AromaticContact CE1-CE1 3.41Å; H55-Y202 VanDerWaalsContact CE1-CE1 3.41Å; H55-Y202 WeakPolarHBondContact CE1-CE1 3.3Å; H55-Y202 AromaticContact CE1-CZ 3.7Å; H55-Y202 AromaticContact ND1-CE1 3.93Å; H55-Y202 AromaticContact NE2-CE1 3.82Å; H55-Y202 AromaticContact NE2-CZ 3.63Å; Y116-Y202 AromaticContact CE1-CE2 3.91Å; Y116-Y202 HydrophobicContact CE1-CE2 3.91Å; I128-Y202 HydrophobicContact CD1-CD1 3.88Å; I128-Y202 HydrophobicContact CD1-CD2 4.01Å; I128-Y202 HydrophobicContact CD1-CE1 4.09Å; I128-Y202 HydrophobicContact CD1-CE2 4.27Å; I128-Y202 HydrophobicContact CD1-CG 3.81Å; A142-Y202 HydrophobicContact CB-CD1 3.84Å; A142-Y202 HydrophobicContact CB-CE1 4.2Å; P199-Y202 WeakPolarHBondContact O-CD2 3.3Å; A200-Y202 PolarHBondContact O-N 3.47Å; Y202-N204 PolarHBondContact O-N 3.2Å
203	V	94	Very high	90.9	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.079	C	C	.	.			trans	-91	104.6	-176.9	-176.6	0	0	0	0	110.1	I144 L159 A200 A201 L225 I237 I239 Y241	I144-V203 HydrophobicContact CB-CG2 4.26Å; I144-V203 HydrophobicContact CG1-CG2 3.9Å; L159-V203 HydrophobicContact CD1-CG2 4.11Å; L159-V203 HydrophobicContact CD2-CG2 3.75Å; L159-V203 HydrophobicContact CG-CG2 4.1Å; A200-V203 HydrophobicContact CB-CG2 4.45Å; A200-V203 WeakPolarHBondContact O-CB 3.41Å; A200-V203 WeakPolarHBondContact O-CG2 3.34Å; A200-V203 PolarHBondContact O-N 3.49Å; A201-V203 VanDerWaalsContact C-N 3.3Å; V203-L225 HydrophobicContact CG1-CD1 4.26Å; V203-L225 HydrophobicContact CG2-CD1 4.24Å; V203-I237 HydrophobicContact CG1-CB 4.42Å; V203-I237 HydrophobicContact CG1-CG2 3.87Å; V203-I239 HydrophobicContact CG1-CG1 4.1Å; V203-I239 HydrophobicContact CG1-CG2 4.05Å; V203-Y241 WeakPolarHBondContact O-CE1 3.35Å; V203-Y241 PolarHBondContact O-OH 2.81Å
204	N	93.8	Very high	90.7	Very high	12 Å²	12	18 Å²	18	6%	0.064	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	157.7	-168.6	-80.4	-37.5	0	0	0	115.9	Y134 S143 Y202 E236 F238 I239 Y241	Y134-N204 HydrophobicContact CE2-CB 4.38Å; Y134-N204 WeakPolarHBondContact CE2-OD1 3.3Å; S143-N204 WeakPolarHBondContact CB-ND2 3.34Å; Y202-N204 PolarHBondContact O-N 3.2Å; N204-E236 PolarHBondContact ND2-OE1 2.84Å; N204-F238 HydrophobicContact CB-CD1 3.78Å; N204-F238 HydrophobicContact CB-CE1 3.85Å; N204-F238 VanDerWaalsContact O-CA 3.25Å; N204-F238 WeakPolarHBondContact O-CA 3Å; N204-I239 PolarHBondContact O-N 2.68Å; N204-Y241 WeakPolarHBondContact CA-OH 3.35Å
205	H	92.7	Very high	90.3	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.023	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.4	169.3	-175.6	103.4	0	0	0	112.1	C207 I239 Y240 Y241 F246 N250 C253 C255	H205-C207 PolarHBondContact NE2-SG 3.44Å; H205-I239 WeakPolarHBondContact CA-O 3.31Å; H205-Y240 AromaticContact CE1-CD2 3.43Å; H205-Y240 VanDerWaalsContact CE1-CD2 3.43Å; H205-Y240 WeakPolarHBondContact CE1-CD2 3.48Å; H205-Y240 AromaticContact CE1-CE2 3.71Å; H205-Y240 AromaticContact NE2-CD2 3.81Å; H205-Y240 AromaticContact NE2-CE2 3.98Å; H205-Y241 HydrophobicContact CB-CD1 4.14Å; H205-Y241 HydrophobicContact CB-CD2 3.97Å; H205-Y241 HydrophobicContact CB-CE1 3.93Å; H205-Y241 HydrophobicContact CB-CE2 3.81Å; H205-Y241 HydrophobicContact CB-CG 4.14Å; H205-Y241 PolarHBondContact N-OH 3.01Å; H205-Y241 AromaticContact ND1-CG 3.73Å; H205-Y241 PolarHBondContact ND1-N 3.41Å; H205-F246 HydrophobicContact CB-CE2 3.63Å; H205-F246 HydrophobicContact CB-CZ 4.05Å; H205-F246 AromaticContact CG-CE2 3.52Å; H205-F246 AromaticContact ND1-CE2 3.67Å; H205-N250 PolarHBondContact CE1-ND2 3.24Å; H205-C253 VanDerWaalsContact CD2-SG 3.54Å; H205-C255 VanDerWaalsContact O-CB 3.25Å; H205-C255 WeakPolarHBondContact O-CB 3.36Å
206	D	94.8	Very high	89.4	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.011	12%	0.12	C	C	.	.			trans	-130.3	139.9	153.5	-165.8	-61.7	0	0	0	109.9	H208 P209 F238 I239 C255 T257 R370	D206-H208 PolarHBondContact O-N 2.91Å; D206-H208 VanDerWaalsContact O-N 3.16Å; D206-H208 PolarHBondContact OD1-N 3.01Å; D206-P209 VanDerWaalsContact O-CD 3.3Å; D206-P209 WeakPolarHBondContact O-CD 3.48Å; D206-F238 HydrophobicContact CB-CB 3.78Å; D206-F238 HydrophobicContact CB-CD1 3.79Å; D206-F238 HydrophobicContact CB-CD2 4.45Å; D206-F238 HydrophobicContact CB-CG 3.74Å; D206-I239 PolarHBondContact N-O 2.94Å; D206-C255 HydrophobicContact CB-CB 4.26Å; D206-T257 VanDerWaalsContact CG-OG1 3.3Å; D206-T257 WeakPolarHBondContact OD1-CB 3.18Å; D206-T257 PolarHBondContact OD1-OG1 2.96Å; D206-T257 PolarHBondContact OD2-N 3.39Å; D206-T257 PolarHBondContact OD2-OG1 3.46Å; D206-R370 IonicContact OD2-CZ 3.2Å; D206-R370 IonicContact OD2-NH2 2.8Å; D206-R370 PolarHBondContact OD2-NH2 2.82Å
207	C	92.3	Very high	88	Confident	34 Å²	34	22.4 Å²	22.4	23%	0.23	12%	0.122	C	C	.	.	S	Bend	trans	-64.9	-12.3	175.8	-83.1	0	0	0	0	113.8	H205 C255	H205-C207 PolarHBondContact NE2-SG 3.44Å; C207-C255 PolarHBondContact N-SG 2.69Å; C207-C255 VanDerWaalsContact N-SG 3.4Å
208	H	91	Very high	86.4	Confident	75 Å²	75	27.3 Å²	27.3	35%	0.347	15%	0.148	S	C	.	.	S	Bend	trans	-133.4	66	173.2	-72.2	69.5	0	0	0	110.1	D206 T257	D206-H208 PolarHBondContact O-N 2.91Å; D206-H208 VanDerWaalsContact O-N 3.16Å; D206-H208 PolarHBondContact OD1-N 3.01Å; H208-T257 HydrophobicContact CB-CG2 3.96Å; H208-T257 WeakPolarHBondContact ND1-CG2 3.2Å
209	P	94.5	Very high	84.7	Confident	15 Å²	15	33.5 Å²	33.5	10%	0.097	19%	0.186	C	C	.	.			trans	-69.2	163.4	-167.1	34.4	-40	0	0	0	112.8	D206 C211 K228 M229 F238	D206-P209 VanDerWaalsContact O-CD 3.3Å; D206-P209 WeakPolarHBondContact O-CD 3.48Å; P209-C211 WeakPolarHBondContact CB-O 3.37Å; P209-K228 HydrophobicContact CG-CD 4.12Å; P209-M229 WeakPolarHBondContact O-CE 3.47Å; P209-F238 HydrophobicContact CB-CB 4.04Å; P209-F238 WeakPolarHBondContact CB-O 3.39Å
210	N	94.8	Very high	83	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.053	20%	0.198	C	C	.	.	S	Bend	trans	-92.5	-25.3	171.9	58.9	3.7	0	0	0	113.2	K228 M229 I231 E236 F238	N210-K228 WeakPolarHBondContact O-CB 3.33Å; N210-K228 PolarHBondContact O-N 3.26Å; N210-M229 HydrophobicContact CB-CG 4.02Å; N210-M229 HydrophobicContact CB-SD 4.06Å; N210-I231 HydrophobicContact CB-CD1 4.06Å; N210-I231 HydrophobicContact CB-CG1 4.03Å; N210-E236 PolarHBondContact ND2-O 2.92Å; N210-F238 PolarHBondContact OD1-N 3.47Å; N210-F238 PolarHBondContact OD1-O 3.07Å
211	C	94.5	Very high	81.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	158.5	169.1	-70.3	0	0	0	0	113.2	P209 L225 E226 K228 I231 I237 F238 I239	P209-C211 WeakPolarHBondContact CB-O 3.37Å; C211-L225 HydrophobicContact CB-CB 4.46Å; C211-E226 CarbonylContact C-O 3.37Å; C211-E226 VanDerWaalsContact CA-O 3.25Å; C211-E226 WeakPolarHBondContact CA-O 3.31Å; C211-K228 VanDerWaalsContact C-CG 3.47Å; C211-K228 WeakPolarHBondContact O-CD 3.24Å; C211-I231 WeakPolarHBondContact SG-CD1 3.45Å; C211-I237 HydrophobicContact CB-CG2 4.37Å; C211-F238 WeakPolarHBondContact CB-O 3.38Å; C211-F238 PolarHBondContact N-O 3.03Å; C211-I239 HydrophobicContact CB-CG2 4.04Å
212	E	90.9	Very high	80.6	Confident	54 Å²	54	37.7 Å²	37.7	25%	0.252	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.7	158.5	59.7	-160.2	123.6	0	0	110.2	L225 E226 K228 P992	E212-L225 WeakPolarHBondContact O-CA 3.47Å; E212-E226 PolarHBondContact N-O 3.38Å; E212-E226 PolarHBondContact O-N 3.41Å; E212-K228 HydrophobicContact CB-CD 3.89Å; E212-K228 HydrophobicContact CB-CG 3.88Å; E212-K228 HydrophobicContact CG-CD 4.33Å; E212-K228 HydrophobicContact CG-CG 3.84Å; E212-K228 WeakPolarHBondContact OE1-CG 3.42Å; E212-K228 IonicContact OE1-NZ 3.05Å; E212-K228 PolarHBondContact OE1-NZ 3.34Å; E212-K228 IonicContact OE2-NZ 2.69Å; E212-K228 PolarHBondContact OE2-NZ 3.33Å; E212-P992 WeakPolarHBondContact OE2-CB 3.44Å
213	F	85.2	Confident	79.9	Confident	59 Å²	59	37.7 Å²	37.7	26%	0.259	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.5	176.7	61.6	-102.8	0	0	0	111.3	M185 W196 I215 M223 S224 L225 I239 Y240	M185-F213 HydrophobicContact CE-CE1 4.29Å; M185-F213 HydrophobicContact CE-CE2 4.32Å; M185-F213 HydrophobicContact CE-CZ 3.87Å; W196-F213 AromaticContact CH2-CD2 3.69Å; W196-F213 HydrophobicContact CH2-CD2 3.69Å; W196-F213 AromaticContact CH2-CE2 3.7Å; W196-F213 HydrophobicContact CH2-CE2 3.7Å; W196-F213 HydrophobicContact CH2-CG 4.32Å; W196-F213 HydrophobicContact CH2-CZ 4.31Å; W196-F213 HydrophobicContact CZ3-CD2 4.04Å; W196-F213 HydrophobicContact CZ3-CE2 4.27Å; W196-F213 HydrophobicContact CZ3-CG 4.2Å; F213-I215 HydrophobicContact CD2-CD1 4.45Å; F213-I215 HydrophobicContact CD2-CG1 4.08Å; F213-I215 HydrophobicContact CE2-CD1 4.17Å; F213-I215 HydrophobicContact CE2-CG1 4.31Å; F213-M223 HydrophobicContact CB-CG 3.97Å; F213-M223 HydrophobicContact CB-SD 3.76Å; F213-M223 HydrophobicContact CG-SD 4.4Å; F213-S224 WeakPolarHBondContact CA-O 3.36Å; F213-L225 HydrophobicContact CB-CD2 3.63Å; F213-I239 HydrophobicContact CD1-CB 4.26Å; F213-I239 HydrophobicContact CD1-CD1 4.07Å; F213-Y240 WeakPolarHBondContact CE1-O 3.41Å
214	T	76.8	Confident	79.2	Confident	60 Å²	60	37.9 Å²	37.9	37%	0.368	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.4	169.4	47.6	0	0	0	0	108.1	M223 S224	T214-M223 WeakPolarHBondContact O-CA 3.46Å; T214-S224 PolarHBondContact N-O 3.36Å; T214-S224 PolarHBondContact O-N 3.16Å; T214-S224 PolarHBondContact OG1-O 3.3Å; T214-S224 PolarHBondContact OG1-OG 3.38Å
215	I	73.6	Confident	79	Confident	30 Å²	30	37.3 Å²	37.3	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.2	179.8	-46.4	163.4	0	0	0	108.3	I163 W196 F213 C217 R222	I163-I215 HydrophobicContact CD1-CG2 3.67Å; W196-I215 HydrophobicContact CH2-CD1 3.64Å; W196-I215 HydrophobicContact CH2-CG1 3.58Å; W196-I215 HydrophobicContact CZ2-CD1 3.52Å; W196-I215 HydrophobicContact CZ2-CG1 3.82Å; F213-I215 HydrophobicContact CD2-CD1 4.45Å; F213-I215 HydrophobicContact CD2-CG1 4.08Å; F213-I215 HydrophobicContact CE2-CD1 4.17Å; F213-I215 HydrophobicContact CE2-CG1 4.31Å; I215-C217 WeakPolarHBondContact CG2-SG 3.37Å; I215-C217 PolarHBondContact O-N 2.81Å; I215-R222 WeakPolarHBondContact CA-O 3.06Å
216	N	66.8	Low	79	Confident	66 Å²	66	40.5 Å²	40.5	35%	0.353	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	83	171.8	-78	55.4	0	0	0	108.7	D218 D220 A221 R222	N216-D218 VanDerWaalsContact C-N 3.25Å; N216-D218 PolarHBondContact O-N 2.95Å; N216-D220 HydrophobicContact CB-CB 4.23Å; N216-A221 PolarHBondContact O-N 2.93Å; N216-R222 HydrophobicContact CB-CG 4.12Å; N216-R222 PolarHBondContact N-O 2.77Å; N216-R222 PolarHBondContact ND2-NH2 2.98Å; N216-R222 PolarHBondContact OD1-NH1 2.81Å
217	C	58.2	Low	79	Confident	15 Å²	15	40.4 Å²	40.4	10%	0.101	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.1	-173.2	-64.9	0	0	0	0	116	K190 I215	K190-C217 PolarHBondContact NZ-O 3.34Å; I215-C217 WeakPolarHBondContact CG2-SG 3.37Å; I215-C217 PolarHBondContact O-N 2.81Å
218	D	58.3	Low	79.1	Confident	103 Å²	103	40.9 Å²	40.9	55%	0.551	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.2	-157.3	-54.4	-43.8	0	0	0	113.9	R189 N216	R189-D218 IonicContact CZ-OD1 3.84Å; R189-D218 IonicContact NH1-OD1 3.94Å; R189-D218 PolarHBondContact NH1-OD1 3.38Å; R189-D218 IonicContact NH1-OD2 3.4Å; R189-D218 IonicContact NH2-OD1 3.9Å; R189-D218 PolarHBondContact NH2-OD1 2.94Å; N216-D218 VanDerWaalsContact C-N 3.25Å; N216-D218 PolarHBondContact O-N 2.95Å
219	V	54.9	Low	79.2	Confident	129 Å²	129	38.3 Å²	38.3	78%	0.782	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-54.8	171.6	-176.4	0	0	0	0	110.7	A221	V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 2.87Å
220	D	57.7	Low	79.2	Confident	50 Å²	50	41.9 Å²	41.9	27%	0.267	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.9	-167.5	-69.1	-3.8	0	0	0	115.9	G25 S26 N216 R222	G25-D220 CarbonylContact C-O 3.53Å; S26-D220 WeakPolarHBondContact CA-O 3.29Å; S26-D220 PolarHBondContact N-O 3.2Å; S26-D220 VanDerWaalsContact N-O 3.1Å; N216-D220 HydrophobicContact CB-CB 4.23Å; D220-R222 HydrophobicContact CB-CB 4.23Å; D220-R222 HydrophobicContact CB-CG 3.69Å; D220-R222 PolarHBondContact O-N 3.24Å; D220-R222 IonicContact OD2-CZ 3.08Å; D220-R222 IonicContact OD2-NE 3.84Å; D220-R222 PolarHBondContact OD2-NE 3.48Å; D220-R222 IonicContact OD2-NH2 2.7Å; D220-R222 PolarHBondContact OD2-NH2 3.42Å
221	A	64.3	Low	79.2	Confident	34 Å²	34	41.4 Å²	41.4	28%	0.281	22%	0.222	S	C	.	.			trans	47.1	29.6	-174.9	0	0	0	0	0	115	I163 N216 V219	I163-A221 VanDerWaalsContact CB-O 3.29Å; I163-A221 WeakPolarHBondContact CB-O 3.39Å; I163-A221 WeakPolarHBondContact CG1-O 3.43Å; I163-A221 PolarHBondContact N-O 3.03Å; N216-A221 PolarHBondContact O-N 2.93Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 2.87Å
222	R	69.9	Low	79.2	Confident	32 Å²	32	45.7 Å²	45.7	12%	0.121	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.8	-166.8	74.2	176.5	156.7	61.4	10.7	114.3	I215 N216 D220 S224	I215-R222 WeakPolarHBondContact CA-O 3.06Å; N216-R222 HydrophobicContact CB-CG 4.12Å; N216-R222 PolarHBondContact N-O 2.77Å; N216-R222 PolarHBondContact ND2-NH2 2.98Å; N216-R222 PolarHBondContact OD1-NH1 2.81Å; D220-R222 HydrophobicContact CB-CB 4.23Å; D220-R222 HydrophobicContact CB-CG 3.69Å; D220-R222 PolarHBondContact O-N 3.24Å; D220-R222 IonicContact OD2-CZ 3.08Å; D220-R222 IonicContact OD2-NE 3.84Å; D220-R222 PolarHBondContact OD2-NE 3.48Å; D220-R222 IonicContact OD2-NH2 2.7Å; D220-R222 PolarHBondContact OD2-NH2 3.42Å; R222-S224 PolarHBondContact NH1-OG 2.56Å
223	M	78.8	Confident	79.4	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.1	154.8	167.6	169	43.6	0	0	110.3	G161 I163 W196 A200 F213 T214 L225	G161-M223 PolarHBondContact O-N 2.95Å; G161-M223 VanDerWaalsContact O-N 3.1Å; I163-M223 HydrophobicContact CD1-CB 4.27Å; W196-M223 HydrophobicContact CE3-CB 4.36Å; W196-M223 HydrophobicContact CE3-CE 3.58Å; W196-M223 HydrophobicContact CE3-SD 3.79Å; W196-M223 HydrophobicContact CZ3-CB 4.09Å; W196-M223 HydrophobicContact CZ3-CE 3.91Å; W196-M223 HydrophobicContact CZ3-CG 4.14Å; W196-M223 HydrophobicContact CZ3-SD 3.44Å; W196-M223 WeakPolarHBondContact CZ3-SD 3.35Å; A200-M223 HydrophobicContact CB-CE 3.38Å; F213-M223 HydrophobicContact CB-CG 3.97Å; F213-M223 HydrophobicContact CB-SD 3.76Å; F213-M223 HydrophobicContact CG-SD 4.4Å; T214-M223 WeakPolarHBondContact O-CA 3.46Å; M223-L225 HydrophobicContact CG-CD2 4.01Å; M223-L225 HydrophobicContact SD-CD2 3.67Å
224	S	79.4	Confident	79.9	Confident	5 Å²	5	45 Å²	45	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.1	164.5	31.8	0	0	0	0	111.9	F213 T214 R222	F213-S224 WeakPolarHBondContact CA-O 3.36Å; T214-S224 PolarHBondContact N-O 3.36Å; T214-S224 PolarHBondContact O-N 3.16Å; T214-S224 PolarHBondContact OG1-O 3.3Å; T214-S224 PolarHBondContact OG1-OG 3.38Å; R222-S224 PolarHBondContact NH1-OG 2.56Å
225	L	90.4	Very high	80.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.5	-178.6	-58.6	-173.1	0	0	0	112.6	R155 I156 L159 V203 C211 E212 F213 M223 I239	R155-L225 CarbonylContact C-O 3.03Å; R155-L225 WeakPolarHBondContact CA-O 3.41Å; I156-L225 HydrophobicContact CB-CB 4.4Å; I156-L225 PolarHBondContact N-O 3.25Å; L159-L225 HydrophobicContact CB-CD1 4.48Å; L159-L225 HydrophobicContact CD2-CD1 3.75Å; L159-L225 HydrophobicContact CG-CD1 3.88Å; V203-L225 HydrophobicContact CG1-CD1 4.26Å; V203-L225 HydrophobicContact CG2-CD1 4.24Å; C211-L225 HydrophobicContact CB-CB 4.46Å; E212-L225 WeakPolarHBondContact O-CA 3.47Å; F213-L225 HydrophobicContact CB-CD2 3.63Å; M223-L225 HydrophobicContact CG-CD2 4.01Å; M223-L225 HydrophobicContact SD-CD2 3.67Å; L225-I239 HydrophobicContact CD1-CG2 4.39Å; L225-I239 HydrophobicContact CD2-CG2 3.69Å
226	E	92.6	Very high	81.8	Confident	73 Å²	73	41.3 Å²	41.3	34%	0.341	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.9	173	-170.8	-176.1	135.6	0	0	110.9	G153 C211 E212 K228	G153-E226 WeakPolarHBondContact CA-OE1 3.22Å; C211-E226 CarbonylContact C-O 3.37Å; C211-E226 VanDerWaalsContact CA-O 3.25Å; C211-E226 WeakPolarHBondContact CA-O 3.31Å; E212-E226 PolarHBondContact N-O 3.38Å; E212-E226 PolarHBondContact O-N 3.41Å; E226-K228 PolarHBondContact O-N 3.35Å
227	A	94.9	Very high	83.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108	179.3	0	0	0	0	0	111.9	K152 G153 S154 M229 I231	K152-A227 CarbonylContact C-O 3.53Å; K152-A227 WeakPolarHBondContact CA-O 3.41Å; G153-A227 PolarHBondContact N-O 2.9Å; S154-A227 PolarHBondContact O-N 2.81Å; A227-M229 PolarHBondContact O-N 2.64Å; A227-M229 VanDerWaalsContact O-N 3.11Å; A227-I231 HydrophobicContact CB-CD1 4.01Å; A227-I231 HydrophobicContact CB-CG1 4.29Å
228	K	93.6	Very high	84.9	Confident	43 Å²	43	37.8 Å²	37.8	19%	0.187	21%	0.21	C	C	.	.	S	Bend	trans	-63.4	-18.1	178.3	-50.8	-176.9	68.6	61.1	0	113.5	K152 P209 N210 C211 E212 E226	K152-K228 WeakPolarHBondContact CD-O 3.49Å; K152-K228 WeakPolarHBondContact CE-O 3.49Å; K152-K228 PolarHBondContact NZ-O 3.05Å; P209-K228 HydrophobicContact CG-CD 4.12Å; N210-K228 WeakPolarHBondContact O-CB 3.33Å; N210-K228 PolarHBondContact O-N 3.26Å; C211-K228 VanDerWaalsContact C-CG 3.47Å; C211-K228 WeakPolarHBondContact O-CD 3.24Å; E212-K228 HydrophobicContact CB-CD 3.89Å; E212-K228 HydrophobicContact CB-CG 3.88Å; E212-K228 HydrophobicContact CG-CD 4.33Å; E212-K228 HydrophobicContact CG-CG 3.84Å; E212-K228 WeakPolarHBondContact OE1-CG 3.42Å; E212-K228 IonicContact OE1-NZ 3.05Å; E212-K228 PolarHBondContact OE1-NZ 3.34Å; E212-K228 IonicContact OE2-NZ 2.69Å; E212-K228 PolarHBondContact OE2-NZ 3.33Å; E226-K228 PolarHBondContact O-N 3.35Å
229	M	92.7	Very high	86.6	Confident	22 Å²	22	33.2 Å²	33.2	11%	0.108	19%	0.186	C	C	.	.	S	Bend	trans	-161.3	166.5	-172.9	63.3	-167.8	75.3	0	0	108.5	P209 N210 A227 I231 R373	P209-M229 WeakPolarHBondContact O-CE 3.47Å; N210-M229 HydrophobicContact CB-CG 4.02Å; N210-M229 HydrophobicContact CB-SD 4.06Å; A227-M229 PolarHBondContact O-N 2.64Å; A227-M229 VanDerWaalsContact O-N 3.11Å; M229-I231 PolarHBondContact O-N 2.87Å; M229-R373 WeakPolarHBondContact SD-CD 3.3Å; M229-R373 PolarHBondContact SD-NH1 2.88Å
230	D	94.5	Very high	88.3	Confident	89 Å²	89	30.9 Å²	30.9	48%	0.476	16%	0.163	S	C	.	.			trans	-62	137.3	176.8	-53	-25.7	0	0	0	111.4	W150 K152 R373	W150-D230 CarbonylContact O-C 3.57Å; W150-D230 WeakPolarHBondContact O-CA 3.46Å; K152-D230 PolarHBondContact N-OD1 3.37Å; D230-R373 PolarHBondContact O-NH1 2.95Å
231	I	95.4	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-116.3	130.6	175.9	-51	-177.9	0	0	0	106.3	A146 D149 W150 N210 C211 A227 M229 D235	A146-I231 HydrophobicContact CB-CG2 3.87Å; D149-I231 CarbonylContact C-O 3.56Å; D149-I231 WeakPolarHBondContact CA-O 3.39Å; W150-I231 HydrophobicContact CB-CB 4.2Å; W150-I231 PolarHBondContact N-O 3.48Å; W150-I231 PolarHBondContact O-N 3.3Å; N210-I231 HydrophobicContact CB-CD1 4.06Å; N210-I231 HydrophobicContact CB-CG1 4.03Å; C211-I231 WeakPolarHBondContact SG-CD1 3.45Å; A227-I231 HydrophobicContact CB-CD1 4.01Å; A227-I231 HydrophobicContact CB-CG1 4.29Å; M229-I231 PolarHBondContact O-N 2.87Å; I231-D235 HydrophobicContact CG2-CB 3.65Å
232	K	94.7	Very high	90.7	Very high	90 Å²	90	30 Å²	30	39%	0.391	16%	0.155	S	C	.	.			trans	-93.9	153.2	178.8	-66	-53.3	-169.3	-173	0	111.6	D149 G234 D235	D149-K232 VanDerWaalsContact CG-CD 3.45Å; D149-K232 WeakPolarHBondContact OD1-CA 3.33Å; D149-K232 WeakPolarHBondContact OD1-CD 3.23Å; D149-K232 WeakPolarHBondContact OD2-CD 3.34Å; D149-K232 WeakPolarHBondContact OD2-CE 3.45Å; D149-K232 IonicContact OD2-NZ 3.01Å; D149-K232 PolarHBondContact OD2-NZ 3.29Å; K232-G234 PolarHBondContact O-N 2.94Å; K232-D235 PolarHBondContact N-OD2 3.1Å; K232-D235 VanDerWaalsContact O-CB 3.27Å; K232-D235 WeakPolarHBondContact O-CB 3.46Å; K232-D235 PolarHBondContact O-N 3.47Å
233	C	95.4	Very high	91.3	Very high	74 Å²	74	30.1 Å²	30.1	50%	0.5	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	125.5	165.3	-179.3	0	0	0	0	109.8	A146 T147 D149	A146-C233 CarbonylContact O-C 2.86Å; A146-C233 WeakPolarHBondContact O-CA 3.2Å; T147-C233 PolarHBondContact O-SG 3.26Å; D149-C233 PolarHBondContact OD1-N 2.77Å
234	G	94.4	Very high	91.5	Very high	24 Å²	24	32.9 Å²	32.9	25%	0.247	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-2.1	-175.3	0	0	0	0	0	116.2	A146 K232	A146-G234 PolarHBondContact O-N 3.27Å; K232-G234 PolarHBondContact O-N 2.94Å
235	D	94.7	Very high	91.6	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.032	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-70.9	139.3	163.5	-72.6	-12.7	0	0	0	109.8	F145 A146 I231 K232 T367 S369 R373	F145-D235 WeakPolarHBondContact CA-O 3.41Å; A146-D235 PolarHBondContact N-O 3.11Å; I231-D235 HydrophobicContact CG2-CB 3.65Å; K232-D235 PolarHBondContact N-OD2 3.1Å; K232-D235 VanDerWaalsContact O-CB 3.27Å; K232-D235 WeakPolarHBondContact O-CB 3.46Å; K232-D235 PolarHBondContact O-N 3.47Å; D235-T367 WeakPolarHBondContact OD1-CG2 3.42Å; D235-T367 PolarHBondContact OD1-OG1 3.09Å; D235-S369 PolarHBondContact OD1-OG 3.11Å; D235-S369 PolarHBondContact OD2-OG 2.82Å; D235-R373 IonicContact OD1-NH2 3.28Å; D235-R373 IonicContact OD2-CZ 2.56Å; D235-R373 IonicContact OD2-NH2 3.97Å; D235-R373 PolarHBondContact OD2-NH2 3.48Å
236	E	95.8	Very high	91.3	Very high	8 Å²	8	36 Å²	36	4%	0.037	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-73.3	143.5	167.2	-171.9	-179.2	165.4	0	0	109.8	S143 F145 N204 N210 F238 Y362	S143-E236 VanDerWaalsContact CB-OE1 3.31Å; S143-E236 WeakPolarHBondContact CB-OE1 3.36Å; F145-E236 HydrophobicContact CD1-CB 3.85Å; F145-E236 HydrophobicContact CE1-CB 3.64Å; F145-E236 HydrophobicContact CE1-CG 4.25Å; F145-E236 HydrophobicContact CE2-CG 4.39Å; F145-E236 HydrophobicContact CG-CB 4.46Å; F145-E236 HydrophobicContact CZ-CB 4.05Å; F145-E236 HydrophobicContact CZ-CG 4.16Å; N204-E236 PolarHBondContact ND2-OE1 2.84Å; N210-E236 PolarHBondContact ND2-O 2.92Å; E236-F238 HydrophobicContact CB-CE1 4.49Å; E236-F238 HydrophobicContact CB-CE2 3.59Å; E236-F238 HydrophobicContact CB-CZ 3.52Å; E236-F238 VanDerWaalsContact CD-CE1 3.49Å; E236-F238 HydrophobicContact CG-CE1 3.9Å; E236-F238 HydrophobicContact CG-CE2 3.88Å; E236-F238 HydrophobicContact CG-CZ 3.39Å; E236-F238 WeakPolarHBondContact O-CD2 3.31Å; E236-F238 VanDerWaalsContact O-CE2 3.27Å; E236-F238 WeakPolarHBondContact O-CE2 3.25Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.4Å; E236-F238 VanDerWaalsContact OE2-CZ 3.31Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.27Å; E236-Y362 PolarHBondContact OE2-OH 2.88Å
237	I	95.8	Very high	90.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-93.1	130.3	-179	-56.6	-176.1	0	0	0	109	I126 I144 A146 I156 L159 V203 C211	I126-I237 HydrophobicContact CG2-CD1 3.92Å; I144-I237 HydrophobicContact CG2-CD1 4.07Å; I144-I237 PolarHBondContact O-N 2.98Å; A146-I237 HydrophobicContact CB-CD1 4.28Å; A146-I237 HydrophobicContact CB-CG1 4.37Å; I156-I237 HydrophobicContact CD1-CD1 3.83Å; L159-I237 HydrophobicContact CD2-CD1 4.14Å; L159-I237 HydrophobicContact CD2-CG2 4.49Å; V203-I237 HydrophobicContact CG1-CB 4.42Å; V203-I237 HydrophobicContact CG1-CG2 3.87Å; C211-I237 HydrophobicContact CB-CG2 4.37Å
238	F	95.1	Very high	90.3	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.9	-178.4	-58.8	-80	0	0	0	112.1	N204 D206 P209 N210 C211 E236	N204-F238 HydrophobicContact CB-CD1 3.78Å; N204-F238 HydrophobicContact CB-CE1 3.85Å; N204-F238 VanDerWaalsContact O-CA 3.25Å; N204-F238 WeakPolarHBondContact O-CA 3Å; D206-F238 HydrophobicContact CB-CB 3.78Å; D206-F238 HydrophobicContact CB-CD1 3.79Å; D206-F238 HydrophobicContact CB-CD2 4.45Å; D206-F238 HydrophobicContact CB-CG 3.74Å; P209-F238 HydrophobicContact CB-CB 4.04Å; P209-F238 WeakPolarHBondContact CB-O 3.39Å; N210-F238 PolarHBondContact OD1-N 3.47Å; N210-F238 PolarHBondContact OD1-O 3.07Å; C211-F238 WeakPolarHBondContact CB-O 3.38Å; C211-F238 PolarHBondContact N-O 3.03Å; E236-F238 HydrophobicContact CB-CE1 4.49Å; E236-F238 HydrophobicContact CB-CE2 3.59Å; E236-F238 HydrophobicContact CB-CZ 3.52Å; E236-F238 VanDerWaalsContact CD-CE1 3.49Å; E236-F238 HydrophobicContact CG-CE1 3.9Å; E236-F238 HydrophobicContact CG-CE2 3.88Å; E236-F238 HydrophobicContact CG-CZ 3.39Å; E236-F238 WeakPolarHBondContact O-CD2 3.31Å; E236-F238 VanDerWaalsContact O-CE2 3.27Å; E236-F238 WeakPolarHBondContact O-CE2 3.25Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.4Å; E236-F238 VanDerWaalsContact OE2-CZ 3.31Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.27Å
239	I	92.8	Very high	90.1	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	178.1	166.6	56.8	168.4	0	0	0	110.5	V203 N204 H205 D206 C211 F213 L225 Y241	V203-I239 HydrophobicContact CG1-CG1 4.1Å; V203-I239 HydrophobicContact CG1-CG2 4.05Å; N204-I239 PolarHBondContact O-N 2.68Å; H205-I239 WeakPolarHBondContact CA-O 3.31Å; D206-I239 PolarHBondContact N-O 2.94Å; C211-I239 HydrophobicContact CB-CG2 4.04Å; F213-I239 HydrophobicContact CD1-CB 4.26Å; F213-I239 HydrophobicContact CD1-CD1 4.07Å; L225-I239 HydrophobicContact CD1-CG2 4.39Å; L225-I239 HydrophobicContact CD2-CG2 3.69Å; I239-Y241 HydrophobicContact CD1-CD1 3.86Å; I239-Y241 HydrophobicContact CD1-CE1 3.88Å; I239-Y241 HydrophobicContact CG1-CD1 3.8Å; I239-Y241 HydrophobicContact CG1-CE1 3.7Å
240	Y	91.8	Very high	89.8	Confident	80 Å²	80	39.7 Å²	39.7	31%	0.314	21%	0.212	S	C	.	.			trans	-118.1	98.4	175.2	-179.2	-105.1	0	0	0	110	H205 F213 G242 T243	H205-Y240 AromaticContact CE1-CD2 3.43Å; H205-Y240 VanDerWaalsContact CE1-CD2 3.43Å; H205-Y240 WeakPolarHBondContact CE1-CD2 3.48Å; H205-Y240 AromaticContact CE1-CE2 3.71Å; H205-Y240 AromaticContact NE2-CD2 3.81Å; H205-Y240 AromaticContact NE2-CE2 3.98Å; F213-Y240 WeakPolarHBondContact CE1-O 3.41Å; Y240-G242 VanDerWaalsContact CZ-O 3.3Å; Y240-G242 PolarHBondContact O-N 3.25Å; Y240-T243 VanDerWaalsContact OH-CA 3.27Å; Y240-T243 WeakPolarHBondContact OH-CA 3.39Å; Y240-T243 WeakPolarHBondContact OH-CB 3.4Å; Y240-T243 PolarHBondContact OH-OG1 3.34Å; Y240-T243 VanDerWaalsContact OH-OG1 3.1Å
241	Y	88	Confident	89.6	Confident	46 Å²	46	42.3 Å²	42.3	18%	0.18	22%	0.216	C	C	.	.			trans	-56.9	-34.3	-177.3	-53.2	-10.4	0	0	0	112.9	V203 N204 H205 I239 F245 F246	V203-Y241 WeakPolarHBondContact O-CE1 3.35Å; V203-Y241 PolarHBondContact O-OH 2.81Å; N204-Y241 WeakPolarHBondContact CA-OH 3.35Å; H205-Y241 HydrophobicContact CB-CD1 4.14Å; H205-Y241 HydrophobicContact CB-CD2 3.97Å; H205-Y241 HydrophobicContact CB-CE1 3.93Å; H205-Y241 HydrophobicContact CB-CE2 3.81Å; H205-Y241 HydrophobicContact CB-CG 4.14Å; H205-Y241 PolarHBondContact N-OH 3.01Å; H205-Y241 AromaticContact ND1-CG 3.73Å; H205-Y241 PolarHBondContact ND1-N 3.41Å; I239-Y241 HydrophobicContact CD1-CD1 3.86Å; I239-Y241 HydrophobicContact CD1-CE1 3.88Å; I239-Y241 HydrophobicContact CG1-CD1 3.8Å; I239-Y241 HydrophobicContact CG1-CE1 3.7Å; Y241-F245 AromaticContact CD2-CD1 3.68Å; Y241-F245 HydrophobicContact CD2-CD1 3.68Å; Y241-F245 AromaticContact CD2-CD2 3.98Å; Y241-F245 HydrophobicContact CD2-CD2 3.98Å; Y241-F245 AromaticContact CD2-CE1 3.58Å; Y241-F245 HydrophobicContact CD2-CE1 3.58Å; Y241-F245 AromaticContact CD2-CE2 3.89Å; Y241-F245 HydrophobicContact CD2-CE2 3.89Å; Y241-F245 AromaticContact CD2-CG 3.88Å; Y241-F245 HydrophobicContact CD2-CG 3.88Å; Y241-F245 AromaticContact CD2-CZ 3.69Å; Y241-F245 HydrophobicContact CD2-CZ 3.69Å; Y241-F245 HydrophobicContact CE2-CD1 4.4Å; Y241-F245 AromaticContact CE2-CE1 3.96Å; Y241-F245 HydrophobicContact CE2-CE1 3.96Å; Y241-F245 HydrophobicContact CE2-CZ 4.12Å; Y241-F245 HydrophobicContact CG-CD2 4.4Å; Y241-F245 HydrophobicContact CG-CE2 4.49Å; Y241-F245 HydrophobicContact CG-CG 4.49Å; Y241-F246 AromaticContact CD2-CE2 3.92Å; Y241-F246 HydrophobicContact CD2-CE2 3.92Å; Y241-F246 HydrophobicContact CD2-CZ 4.19Å; Y241-F246 HydrophobicContact CE2-CE2 4.2Å; Y241-F246 HydrophobicContact CE2-CZ 4.04Å
242	G	83.2	Confident	89.3	Confident	19 Å²	19	43.7 Å²	43.7	20%	0.196	23%	0.227	C	C	.	.			trans	156	179.9	-178.5	0	0	0	0	0	112.6	Y240 N250	Y240-G242 VanDerWaalsContact CZ-O 3.3Å; Y240-G242 PolarHBondContact O-N 3.25Å; G242-N250 PolarHBondContact O-ND2 2.96Å; G242-N250 PolarHBondContact O-OD1 2.8Å
243	T	83.8	Confident	89.2	Confident	35 Å²	35	39.5 Å²	39.5	22%	0.215	21%	0.209	C	C	.	.	S	Bend	trans	-90.4	-10.3	-172.6	-43.9	0	0	0	0	114.3	Y240 N249 N250 K980	Y240-T243 VanDerWaalsContact OH-CA 3.27Å; Y240-T243 WeakPolarHBondContact OH-CA 3.39Å; Y240-T243 WeakPolarHBondContact OH-CB 3.4Å; Y240-T243 PolarHBondContact OH-OG1 3.34Å; Y240-T243 VanDerWaalsContact OH-OG1 3.1Å; T243-N249 CarbonylContact O-C 3.53Å; T243-N249 WeakPolarHBondContact O-CA 3.29Å; T243-N249 PolarHBondContact O-N 3.05Å; T243-N250 VanDerWaalsContact C-OD1 3.29Å; T243-N250 PolarHBondContact O-N 2.99Å; T243-N250 VanDerWaalsContact O-N 3.13Å; T243-N250 PolarHBondContact O-OD1 3.02Å; T243-K980 HydrophobicContact CG2-CD 3.91Å; T243-K980 VanDerWaalsContact CG2-NZ 3.26Å
244	H	82	Confident	89	Confident	62 Å²	62	37 Å²	37	29%	0.287	19%	0.19	S	C	.	.	S	Bend	trans	-131.3	10.1	-174	-64.3	-100.4	0	0	0	113.5	D247 N250 L623 K980	H244-D247 CarbonylContact C-O 3.55Å; H244-D247 VanDerWaalsContact CA-O 3.32Å; H244-D247 WeakPolarHBondContact CA-O 3.43Å; H244-D247 CarbonylContact O-C 3.55Å; H244-N250 PolarHBondContact N-OD1 2.96Å; H244-L623 HydrophobicContact CB-CD2 4.09Å; H244-K980 VanDerWaalsContact NE2-CE 3.27Å; H244-K980 WeakPolarHBondContact NE2-CE 3.36Å
245	F	81.6	Confident	89	Confident	43 Å²	43	36 Å²	36	19%	0.189	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-37.5	-174.1	-168.8	-77.5	0	0	0	112.4	Y241 N250 R622	Y241-F245 AromaticContact CD2-CD1 3.68Å; Y241-F245 HydrophobicContact CD2-CD1 3.68Å; Y241-F245 AromaticContact CD2-CD2 3.98Å; Y241-F245 HydrophobicContact CD2-CD2 3.98Å; Y241-F245 AromaticContact CD2-CE1 3.58Å; Y241-F245 HydrophobicContact CD2-CE1 3.58Å; Y241-F245 AromaticContact CD2-CE2 3.89Å; Y241-F245 HydrophobicContact CD2-CE2 3.89Å; Y241-F245 AromaticContact CD2-CG 3.88Å; Y241-F245 HydrophobicContact CD2-CG 3.88Å; Y241-F245 AromaticContact CD2-CZ 3.69Å; Y241-F245 HydrophobicContact CD2-CZ 3.69Å; Y241-F245 HydrophobicContact CE2-CD1 4.4Å; Y241-F245 AromaticContact CE2-CE1 3.96Å; Y241-F245 HydrophobicContact CE2-CE1 3.96Å; Y241-F245 HydrophobicContact CE2-CZ 4.12Å; Y241-F245 HydrophobicContact CG-CD2 4.4Å; Y241-F245 HydrophobicContact CG-CE2 4.49Å; Y241-F245 HydrophobicContact CG-CG 4.49Å; F245-N250 PolarHBondContact N-OD1 3.36Å; F245-R622 PolarHBondContact O-NH2 3.45Å
246	F	84.9	Confident	88.7	Confident	28 Å²	28	36.1 Å²	36.1	12%	0.123	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	62.3	175.2	-62.4	-85.5	0	0	0	109	H205 Y241 N250 R251 A252 C253	H205-F246 HydrophobicContact CB-CE2 3.63Å; H205-F246 HydrophobicContact CB-CZ 4.05Å; H205-F246 AromaticContact CG-CE2 3.52Å; H205-F246 AromaticContact ND1-CE2 3.67Å; Y241-F246 AromaticContact CD2-CE2 3.92Å; Y241-F246 HydrophobicContact CD2-CE2 3.92Å; Y241-F246 HydrophobicContact CD2-CZ 4.19Å; Y241-F246 HydrophobicContact CE2-CE2 4.2Å; Y241-F246 HydrophobicContact CE2-CZ 4.04Å; F246-N250 HydrophobicContact CB-CB 4.43Å; F246-N250 PolarHBondContact N-OD1 2.83Å; F246-N250 CarbonylContact O-C 3.12Å; F246-N250 WeakPolarHBondContact O-CA 3.24Å; F246-R251 PolarHBondContact O-N 2.9Å; F246-A252 HydrophobicContact CB-CB 4.33Å; F246-A252 PolarHBondContact O-N 3.25Å; F246-C253 HydrophobicContact CB-CB 3.77Å; F246-C253 HydrophobicContact CD2-CB 4.21Å; F246-C253 HydrophobicContact CG-CB 4.04Å
247	D	83.3	Confident	88.4	Confident	42 Å²	42	35.9 Å²	35.9	23%	0.225	18%	0.178	C	C	.	.	S	Bend	trans	62.6	171.1	-165.6	-77.2	-52.4	0	0	0	115.2	H244 N249 N250 R251 A252 R622 L623	H244-D247 CarbonylContact C-O 3.55Å; H244-D247 VanDerWaalsContact CA-O 3.32Å; H244-D247 WeakPolarHBondContact CA-O 3.43Å; H244-D247 CarbonylContact O-C 3.55Å; D247-N249 PolarHBondContact O-N 2.81Å; D247-N250 WeakPolarHBondContact O-CA 3.21Å; D247-N250 PolarHBondContact O-N 2.82Å; D247-R251 HydrophobicContact CB-CB 4.31Å; D247-A252 HydrophobicContact CB-CB 4.36Å; D247-R622 VanDerWaalsContact OD1-CA 3.29Å; D247-R622 WeakPolarHBondContact OD1-CA 3.49Å; D247-R622 WeakPolarHBondContact OD1-CG 3.36Å; D247-L623 PolarHBondContact OD1-N 3.47Å
248	T	83.5	Confident	88.2	Confident	69 Å²	69	36.1 Å²	36.1	42%	0.423	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-46.5	123.4	174.4	-72.7	0	0	0	0	112.2	N250 R251	T248-N250 PolarHBondContact O-N 3.18Å; T248-R251 WeakPolarHBondContact O-CB 3.32Å; T248-R251 PolarHBondContact O-N 2.82Å
249	N	87.8	Confident	87.9	Confident	99 Å²	99	36.5 Å²	36.5	53%	0.529	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	60.7	25.9	-176	-54.8	-35.9	0	0	0	114.5	T243 D247 R251 K980	T243-N249 CarbonylContact O-C 3.53Å; T243-N249 WeakPolarHBondContact O-CA 3.29Å; T243-N249 PolarHBondContact O-N 3.05Å; D247-N249 PolarHBondContact O-N 2.81Å; N249-R251 VanDerWaalsContact C-N 3.27Å; N249-R251 PolarHBondContact O-N 2.68Å; N249-K980 WeakPolarHBondContact OD1-CE 3.48Å; N249-K980 PolarHBondContact OD1-NZ 3.1Å
250	N	88.2	Confident	87.5	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.027	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	56.2	37.6	-175	-71.9	-12.1	0	0	0	113	H205 G242 T243 H244 F245 F246 D247 T248 A252 C253 G264	H205-N250 PolarHBondContact CE1-ND2 3.24Å; G242-N250 PolarHBondContact O-ND2 2.96Å; G242-N250 PolarHBondContact O-OD1 2.8Å; T243-N250 VanDerWaalsContact C-OD1 3.29Å; T243-N250 PolarHBondContact O-N 2.99Å; T243-N250 VanDerWaalsContact O-N 3.13Å; T243-N250 PolarHBondContact O-OD1 3.02Å; H244-N250 PolarHBondContact N-OD1 2.96Å; F245-N250 PolarHBondContact N-OD1 3.36Å; F246-N250 HydrophobicContact CB-CB 4.43Å; F246-N250 PolarHBondContact N-OD1 2.83Å; F246-N250 CarbonylContact O-C 3.12Å; F246-N250 WeakPolarHBondContact O-CA 3.24Å; D247-N250 WeakPolarHBondContact O-CA 3.21Å; D247-N250 PolarHBondContact O-N 2.82Å; T248-N250 PolarHBondContact O-N 3.18Å; N250-A252 VanDerWaalsContact C-N 3.25Å; N250-A252 PolarHBondContact O-N 3.43Å; N250-C253 HydrophobicContact CB-CB 3.83Å; N250-C253 WeakPolarHBondContact O-CB 3.38Å; N250-C253 PolarHBondContact O-N 3.12Å; N250-G264 WeakPolarHBondContact O-CA 3.41Å
251	R	89.8	Confident	87.2	Confident	145 Å²	145	34.8 Å²	34.8	55%	0.547	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	-178.4	-172.8	177.6	-175.9	-147	1.6	114.2	F246 D247 T248 N249 G264 Y265	F246-R251 PolarHBondContact O-N 2.9Å; D247-R251 HydrophobicContact CB-CB 4.31Å; T248-R251 WeakPolarHBondContact O-CB 3.32Å; T248-R251 PolarHBondContact O-N 2.82Å; N249-R251 VanDerWaalsContact C-N 3.27Å; N249-R251 PolarHBondContact O-N 2.68Å; R251-G264 CarbonylContact O-C 3.59Å; R251-G264 WeakPolarHBondContact O-CA 3.45Å; R251-G264 VanDerWaalsContact O-O 3.1Å; R251-Y265 PolarHBondContact O-N 3.12Å; R251-Y265 VanDerWaalsContact O-N 3.16Å
252	A	88.4	Confident	87.2	Confident	29 Å²	29	33 Å²	33	24%	0.24	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.6	174.3	0	0	0	0	0	113.3	F246 D247 N250 E254	F246-A252 HydrophobicContact CB-CB 4.33Å; F246-A252 PolarHBondContact O-N 3.25Å; D247-A252 HydrophobicContact CB-CB 4.36Å; N250-A252 VanDerWaalsContact C-N 3.25Å; N250-A252 PolarHBondContact O-N 3.43Å; A252-E254 PolarHBondContact O-N 3.01Å
253	C	92.3	Very high	87.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.188	C	C	.	.			trans	-72.5	130.8	-173.4	-178.1	0	0	0	0	112.8	H205 F246 N250 G264 Y265	H205-C253 VanDerWaalsContact CD2-SG 3.54Å; F246-C253 HydrophobicContact CB-CB 3.77Å; F246-C253 HydrophobicContact CD2-CB 4.21Å; F246-C253 HydrophobicContact CG-CB 4.04Å; N250-C253 HydrophobicContact CB-CB 3.83Å; N250-C253 WeakPolarHBondContact O-CB 3.38Å; N250-C253 PolarHBondContact O-N 3.12Å; C253-G264 WeakPolarHBondContact O-CA 3.41Å; C253-Y265 PolarHBondContact O-N 3.46Å
254	E	92.4	Very high	87.9	Confident	23 Å²	23	37.2 Å²	37.2	11%	0.107	18%	0.182	C	C	.	.			trans	-105.4	10.3	-175.6	-73.2	169.2	-167	0	0	113.4	R133 Y134 A135 A252 Y265	R133-E254 VanDerWaalsContact CZ-O 3.27Å; R133-E254 PolarHBondContact NE-O 3.03Å; R133-E254 PolarHBondContact NH2-O 2.72Å; Y134-E254 WeakPolarHBondContact CA-OE2 3.34Å; Y134-E254 HydrophobicContact CD1-CB 3.88Å; Y134-E254 HydrophobicContact CE1-CB 4.48Å; A135-E254 PolarHBondContact N-OE2 3.05Å; A252-E254 PolarHBondContact O-N 3.01Å; E254-Y265 HydrophobicContact CG-CD2 4.22Å; E254-Y265 HydrophobicContact CG-CG 4.02Å
255	C	93.4	Very high	88.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.179	C	C	.	.			trans	-62.6	155.5	179.4	74.8	0	0	0	0	113.1	H205 D206 C207 T257 C258 E259	H205-C255 VanDerWaalsContact O-CB 3.25Å; H205-C255 WeakPolarHBondContact O-CB 3.36Å; D206-C255 HydrophobicContact CB-CB 4.26Å; C207-C255 PolarHBondContact N-SG 2.69Å; C207-C255 VanDerWaalsContact N-SG 3.4Å; C255-T257 PolarHBondContact O-N 3.43Å; C255-C258 WeakPolarHBondContact O-CA 3.38Å; C255-C258 WeakPolarHBondContact O-CB 3.21Å; C255-C258 PolarHBondContact O-N 2.78Å; C255-C258 PolarHBondContact SG-N 2.72Å; C255-C258 VanDerWaalsContact SG-N 3.43Å; C255-C258 VanDerWaalsContact SG-SG 3.65Å; C255-E259 PolarHBondContact O-N 2.75Å
256	F	89.5	Confident	88.6	Confident	10 Å²	10	35.4 Å²	35.4	4%	0.044	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-34.6	-179	178.9	-105.4	0	0	0	113.1	E259 L260 L364 H366 R370 L371 V374	F256-E259 WeakPolarHBondContact O-CB 3.27Å; F256-E259 PolarHBondContact O-N 3.14Å; F256-L260 PolarHBondContact O-N 2.83Å; F256-L364 HydrophobicContact CE2-CD2 4.16Å; F256-H366 AromaticContact CD2-CD2 3.57Å; F256-H366 AromaticContact CD2-NE2 3.64Å; F256-H366 AromaticContact CE2-CD2 3.67Å; F256-H366 AromaticContact CG-CD2 3.82Å; F256-H366 AromaticContact CG-NE2 3.8Å; F256-H366 AromaticContact CZ-CD2 4Å; F256-R370 VanDerWaalsContact CB-CZ 3.48Å; F256-R370 HydrophobicContact CD1-CG 4.27Å; F256-R370 HydrophobicContact CE1-CG 4.32Å; F256-L371 HydrophobicContact CZ-CD1 4.05Å; F256-V374 HydrophobicContact CD1-CG2 4.28Å; F256-V374 HydrophobicContact CE1-CG2 4.17Å
257	T	88.7	Confident	88.8	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-70.5	-31.8	175.5	-54.7	0	0	0	0	112.3	D206 H208 C255 L261 V374	D206-T257 VanDerWaalsContact CG-OG1 3.3Å; D206-T257 WeakPolarHBondContact OD1-CB 3.18Å; D206-T257 PolarHBondContact OD1-OG1 2.96Å; D206-T257 PolarHBondContact OD2-N 3.39Å; D206-T257 PolarHBondContact OD2-OG1 3.46Å; H208-T257 HydrophobicContact CB-CG2 3.96Å; H208-T257 WeakPolarHBondContact ND1-CG2 3.2Å; C255-T257 PolarHBondContact O-N 3.43Å; T257-L261 HydrophobicContact CG2-CD1 3.49Å; T257-L261 VanDerWaalsContact CG2-CD1 3.49Å; T257-L261 HydrophobicContact CG2-CG 4.11Å; T257-L261 WeakPolarHBondContact O-CB 3.3Å; T257-L261 VanDerWaalsContact O-CD1 3.22Å; T257-L261 WeakPolarHBondContact O-CD1 3.48Å; T257-L261 WeakPolarHBondContact O-CG 3.18Å; T257-L261 PolarHBondContact O-N 2.76Å; T257-V374 HydrophobicContact CG2-CG1 3.82Å
258	C	91.3	Very high	88.8	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-40.3	169.9	-80.6	0	0	0	0	111.8	C255 L261 G262 R263 F266	C255-C258 WeakPolarHBondContact O-CA 3.38Å; C255-C258 WeakPolarHBondContact O-CB 3.21Å; C255-C258 PolarHBondContact O-N 2.78Å; C255-C258 PolarHBondContact SG-N 2.72Å; C255-C258 VanDerWaalsContact SG-N 3.43Å; C255-C258 VanDerWaalsContact SG-SG 3.65Å; C258-L261 PolarHBondContact O-N 2.7Å; C258-G262 PolarHBondContact O-N 3.39Å; C258-G262 VanDerWaalsContact O-N 3.13Å; C258-R263 WeakPolarHBondContact CB-O 3.38Å; C258-R263 PolarHBondContact O-N 2.99Å; C258-F266 HydrophobicContact CB-CD2 4.1Å; C258-F266 HydrophobicContact CB-CE2 4.36Å
259	E	89.3	Confident	88.5	Confident	15 Å²	15	39.9 Å²	39.9	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-57.2	175.4	-169.7	-171.6	153.7	0	0	111.7	R133 C255 F256 L261 G262 F266 L345 S350	R133-E259 IonicContact CZ-OE2 2.7Å; R133-E259 VanDerWaalsContact CZ-OE2 3.22Å; R133-E259 IonicContact NH1-OE2 2.64Å; R133-E259 PolarHBondContact NH1-OE2 2.97Å; R133-E259 IonicContact NH2-OE2 3.92Å; R133-E259 PolarHBondContact NH2-OE2 3.05Å; C255-E259 PolarHBondContact O-N 2.75Å; F256-E259 WeakPolarHBondContact O-CB 3.27Å; F256-E259 PolarHBondContact O-N 3.14Å; E259-L261 PolarHBondContact O-N 3.04Å; E259-L261 VanDerWaalsContact O-N 3.15Å; E259-G262 PolarHBondContact O-N 3.37Å; E259-F266 HydrophobicContact CB-CD1 4.34Å; E259-F266 HydrophobicContact CB-CD2 3.88Å; E259-F266 HydrophobicContact CB-CE1 4.13Å; E259-F266 HydrophobicContact CB-CE2 3.62Å; E259-F266 HydrophobicContact CB-CG 4.22Å; E259-F266 HydrophobicContact CB-CZ 3.77Å; E259-F266 HydrophobicContact CG-CD1 4.07Å; E259-F266 HydrophobicContact CG-CD2 4.5Å; E259-F266 HydrophobicContact CG-CE1 3.85Å; E259-F266 HydrophobicContact CG-CE2 4.27Å; E259-F266 HydrophobicContact CG-CG 4.39Å; E259-F266 HydrophobicContact CG-CZ 3.96Å; E259-F266 VanDerWaalsContact N-CD2 3.31Å; E259-L345 WeakPolarHBondContact O-CD1 3.45Å; E259-S350 WeakPolarHBondContact OE1-CB 3.4Å; E259-S350 PolarHBondContact OE1-OG 2.98Å
260	L	83.8	Confident	87.4	Confident	29 Å²	29	37.1 Å²	37.1	15%	0.152	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-19.6	-177.5	-163.1	70	0	0	0	113.3	F256 F344 V374 K375 L378	F256-L260 PolarHBondContact O-N 2.83Å; L260-F344 HydrophobicContact CD1-CD1 3.91Å; L260-F344 HydrophobicContact CD1-CE1 4.05Å; L260-F344 HydrophobicContact CD2-CE1 4.43Å; L260-F344 HydrophobicContact CG-CD1 4.18Å; L260-F344 HydrophobicContact CG-CE1 4.02Å; L260-V374 HydrophobicContact CB-CG1 4.47Å; L260-V374 HydrophobicContact CD2-CB 3.73Å; L260-V374 HydrophobicContact CD2-CG1 3.65Å; L260-K375 HydrophobicContact CD2-CG 4.46Å; L260-L378 HydrophobicContact CD2-CD1 4.01Å; L260-L378 HydrophobicContact CG-CD1 4.01Å
261	L	86.8	Confident	85.8	Confident	21 Å²	21	42.3 Å²	42.3	11%	0.11	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.3	179.6	-68.5	174.6	0	0	0	114.3	T257 C258 E259 R263 L378	T257-L261 HydrophobicContact CG2-CD1 3.49Å; T257-L261 VanDerWaalsContact CG2-CD1 3.49Å; T257-L261 HydrophobicContact CG2-CG 4.11Å; T257-L261 WeakPolarHBondContact O-CB 3.3Å; T257-L261 VanDerWaalsContact O-CD1 3.22Å; T257-L261 WeakPolarHBondContact O-CD1 3.48Å; T257-L261 WeakPolarHBondContact O-CG 3.18Å; T257-L261 PolarHBondContact O-N 2.76Å; C258-L261 PolarHBondContact O-N 2.7Å; E259-L261 PolarHBondContact O-N 3.04Å; E259-L261 VanDerWaalsContact O-N 3.15Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 HydrophobicContact CB-CB 4.23Å; L261-R263 HydrophobicContact CB-CG 3.8Å; L261-R263 PolarHBondContact O-N 3.29Å; L261-L378 HydrophobicContact CD2-CD1 3.82Å; L261-L378 HydrophobicContact CD2-CD2 3.52Å; L261-L378 HydrophobicContact CD2-CG 3.53Å
262	G	86.9	Confident	83.6	Confident	8 Å²	8	38.2 Å²	38.2	8%	0.082	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	35.5	-170.3	0	0	0	0	0	113.1	C258 E259 S267	C258-G262 PolarHBondContact O-N 3.39Å; C258-G262 VanDerWaalsContact O-N 3.13Å; E259-G262 PolarHBondContact O-N 3.37Å; G262-S267 VanDerWaalsContact O-CA 3.31Å; G262-S267 WeakPolarHBondContact O-CA 3.38Å
263	R	90	Very high	81.7	Confident	136 Å²	136	41.5 Å²	41.5	51%	0.513	21%	0.207	S	C	.	.			trans	-120.5	177.6	-175.6	-64.1	-176.5	-157.7	175.6	9.6	111.5	C258 L261 Y265 F266	C258-R263 WeakPolarHBondContact CB-O 3.38Å; C258-R263 PolarHBondContact O-N 2.99Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 HydrophobicContact CB-CB 4.23Å; L261-R263 HydrophobicContact CB-CG 3.8Å; L261-R263 PolarHBondContact O-N 3.29Å; R263-Y265 PolarHBondContact O-N 2.65Å; R263-F266 WeakPolarHBondContact O-CB 3.11Å; R263-F266 PolarHBondContact O-N 2.8Å; R263-F266 VanDerWaalsContact O-N 3.11Å
264	G	92.1	Very high	79.3	Confident	8 Å²	8	47.1 Å²	47.1	8%	0.082	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	55.7	-136.4	-175.1	0	0	0	0	0	110.2	N250 R251 C253 F266 S267	N250-G264 WeakPolarHBondContact O-CA 3.41Å; R251-G264 CarbonylContact O-C 3.59Å; R251-G264 WeakPolarHBondContact O-CA 3.45Å; R251-G264 VanDerWaalsContact O-O 3.1Å; C253-G264 WeakPolarHBondContact O-CA 3.41Å; G264-F266 PolarHBondContact O-N 3.03Å; G264-F266 VanDerWaalsContact O-N 3.16Å; G264-S267 WeakPolarHBondContact O-CB 3.44Å; G264-S267 PolarHBondContact O-N 2.74Å; G264-S267 VanDerWaalsContact O-N 3.13Å; G264-S267 PolarHBondContact O-OG 3.49Å
265	Y	88.7	Confident	76.9	Confident	61 Å²	61	50.4 Å²	50.4	24%	0.239	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-51.8	-40.6	177.7	-177.4	-79.4	0	0	0	111.9	R251 C253 E254 R263 S267 K268 F269 L353	R251-Y265 PolarHBondContact O-N 3.12Å; R251-Y265 VanDerWaalsContact O-N 3.16Å; C253-Y265 PolarHBondContact O-N 3.46Å; E254-Y265 HydrophobicContact CG-CD2 4.22Å; E254-Y265 HydrophobicContact CG-CG 4.02Å; R263-Y265 PolarHBondContact O-N 2.65Å; Y265-S267 PolarHBondContact O-N 3.37Å; Y265-K268 HydrophobicContact CE1-CD 4.49Å; Y265-K268 VanDerWaalsContact CE2-NZ 3.29Å; Y265-K268 WeakPolarHBondContact O-CG 3.31Å; Y265-K268 PolarHBondContact O-N 3.29Å; Y265-F269 HydrophobicContact CD1-CE2 4.16Å; Y265-F269 AromaticContact CE1-CE2 3.92Å; Y265-F269 HydrophobicContact CE1-CE2 3.92Å; Y265-F269 HydrophobicContact CE1-CZ 4.04Å; Y265-L353 HydrophobicContact CD1-CD1 4.39Å; Y265-L353 HydrophobicContact CE1-CD1 3.97Å
266	F	90	Very high	74.5	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-72.3	-10.9	-173.3	-51.1	-83.7	0	0	0	114.5	C258 E259 R263 G264 K268 F269 L345 L353	C258-F266 HydrophobicContact CB-CD2 4.1Å; C258-F266 HydrophobicContact CB-CE2 4.36Å; E259-F266 HydrophobicContact CB-CD1 4.34Å; E259-F266 HydrophobicContact CB-CD2 3.88Å; E259-F266 HydrophobicContact CB-CE1 4.13Å; E259-F266 HydrophobicContact CB-CE2 3.62Å; E259-F266 HydrophobicContact CB-CG 4.22Å; E259-F266 HydrophobicContact CB-CZ 3.77Å; E259-F266 HydrophobicContact CG-CD1 4.07Å; E259-F266 HydrophobicContact CG-CD2 4.5Å; E259-F266 HydrophobicContact CG-CE1 3.85Å; E259-F266 HydrophobicContact CG-CE2 4.27Å; E259-F266 HydrophobicContact CG-CG 4.39Å; E259-F266 HydrophobicContact CG-CZ 3.96Å; E259-F266 VanDerWaalsContact N-CD2 3.31Å; R263-F266 WeakPolarHBondContact O-CB 3.11Å; R263-F266 PolarHBondContact O-N 2.8Å; R263-F266 VanDerWaalsContact O-N 3.11Å; G264-F266 PolarHBondContact O-N 3.03Å; G264-F266 VanDerWaalsContact O-N 3.16Å; F266-K268 PolarHBondContact O-N 2.97Å; F266-K268 VanDerWaalsContact O-N 3.11Å; F266-F269 HydrophobicContact CB-CD2 4.24Å; F266-F269 HydrophobicContact CD1-CD2 4.28Å; F266-F269 HydrophobicContact CD1-CE2 4.11Å; F266-F269 PolarHBondContact O-N 3.01Å; F266-L345 HydrophobicContact CB-CD1 4.2Å; F266-L353 HydrophobicContact CE1-CD1 4.23Å
267	S	88.1	Confident	72.1	Confident	27 Å²	27	59.7 Å²	59.7	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-18.3	172.9	63.1	0	0	0	0	113.6	G262 G264 Y265 F269 T270 Q271	G262-S267 VanDerWaalsContact O-CA 3.31Å; G262-S267 WeakPolarHBondContact O-CA 3.38Å; G264-S267 WeakPolarHBondContact O-CB 3.44Å; G264-S267 PolarHBondContact O-N 2.74Å; G264-S267 VanDerWaalsContact O-N 3.13Å; G264-S267 PolarHBondContact O-OG 3.49Å; Y265-S267 PolarHBondContact O-N 3.37Å; S267-F269 VanDerWaalsContact C-N 3.3Å; S267-F269 PolarHBondContact O-N 3.36Å; S267-T270 PolarHBondContact O-OG1 2.81Å; S267-Q271 PolarHBondContact O-NE2 3.49Å
268	K	82.9	Confident	69.7	Low	123 Å²	123	63.5 Å²	63.5	54%	0.535	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-36	171.5	-64.5	170.7	-176.6	172.5	0	112.4	Y265 F266	Y265-K268 HydrophobicContact CE1-CD 4.49Å; Y265-K268 VanDerWaalsContact CE2-NZ 3.29Å; Y265-K268 WeakPolarHBondContact O-CG 3.31Å; Y265-K268 PolarHBondContact O-N 3.29Å; F266-K268 PolarHBondContact O-N 2.97Å; F266-K268 VanDerWaalsContact O-N 3.11Å
269	F	77.7	Confident	67.2	Low	82 Å²	82	67.8 Å²	67.8	36%	0.36	37%	0.374	S	S	.	.	H	α-helix	trans	-82.7	-28.9	-174.2	-55.2	-65.5	0	0	0	113.1	Y265 F266 S267 L345	Y265-F269 HydrophobicContact CD1-CE2 4.16Å; Y265-F269 AromaticContact CE1-CE2 3.92Å; Y265-F269 HydrophobicContact CE1-CE2 3.92Å; Y265-F269 HydrophobicContact CE1-CZ 4.04Å; F266-F269 HydrophobicContact CB-CD2 4.24Å; F266-F269 HydrophobicContact CD1-CD2 4.28Å; F266-F269 HydrophobicContact CD1-CE2 4.11Å; F266-F269 PolarHBondContact O-N 3.01Å; S267-F269 VanDerWaalsContact C-N 3.3Å; S267-F269 PolarHBondContact O-N 3.36Å; F269-L345 HydrophobicContact CB-CD2 3.94Å
270	T	65.2	Low	64.8	Low	41 Å²	41	72.5 Å²	72.5	25%	0.252	40%	0.399	S	S	.	.	H	α-helix	trans	-73.9	-37	177.4	49.5	0	0	0	0	112.7	S267 A272 I273 L345	S267-T270 PolarHBondContact O-OG1 2.81Å; T270-A272 PolarHBondContact O-N 2.99Å; T270-I273 PolarHBondContact O-N 3.37Å; T270-I273 VanDerWaalsContact O-N 3.1Å; T270-L345 HydrophobicContact CG2-CD2 3.86Å
271	Q	54	Low	62.8	Low	115 Å²	115	77.8 Å²	77.8	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-20.7	178.8	-77.1	166.4	95	0	0	113.8	S267 I273 S275	S267-Q271 PolarHBondContact O-NE2 3.49Å; Q271-I273 VanDerWaalsContact C-N 3.31Å; Q271-S275 PolarHBondContact O-OG 3.22Å
272	A	45.1	Very low	60.6	Low	58 Å²	58	85.8 Å²	85.8	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-71.4	-24.2	175.5	0	0	0	0	0	113.4	T270 T276	T270-A272 PolarHBondContact O-N 2.99Å; A272-T276 PolarHBondContact O-OG1 2.95Å
273	I	47.6	Very low	58.4	Low	99 Å²	99	91.5 Å²	91.5	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-79.6	-42.1	-176.1	-56.6	176.1	0	0	0	110.7	T270 Q271 S275 T276 T277	T270-I273 PolarHBondContact O-N 3.37Å; T270-I273 VanDerWaalsContact O-N 3.1Å; Q271-I273 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.18Å; I273-T276 PolarHBondContact O-N 2.99Å; I273-T277 PolarHBondContact O-OG1 2.94Å
274	D	42.2	Very low	55.9	Low	119 Å²	119	90.2 Å²	90.2	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-67.3	-20.1	178.5	-69.2	-26.9	0	0	0	113.1	V278	D274-V278 WeakPolarHBondContact O-CG2 3.39Å
275	S	41.4	Very low	53.3	Low	92 Å²	92	92.8 Å²	92.8	64%	0.643	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.1	-176.3	-60	0	0	0	0	113.7	Q271 I273	Q271-S275 PolarHBondContact O-OG 3.22Å; I273-S275 PolarHBondContact O-N 3.18Å
276	T	42.7	Very low	50.8	Low	116 Å²	116	95.5 Å²	95.5	71%	0.712	52%	0.522	S	S	*	.	S	Bend	trans	-102.2	-5.2	-168.4	-43.2	0	0	0	0	113	A272 I273	A272-T276 PolarHBondContact O-OG1 2.95Å; I273-T276 PolarHBondContact O-N 2.99Å
277	T	39.5	Very low	48.5	Very low	90 Å²	90	99.9 Å²	99.9	55%	0.552	55%	0.545	S	S	*	.			trans	-114.5	6.1	-171.1	49.2	0	0	0	0	114.1	I273 S279	I273-T277 PolarHBondContact O-OG1 2.94Å; T277-S279 VanDerWaalsContact C-N 3.25Å; T277-S279 PolarHBondContact O-N 3.15Å
278	V	39.4	Very low	46.1	Very low	82 Å²	82	102.5 Å²	102.5	50%	0.497	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-74	-11	-171.2	-167	0	0	0	0	113.4	D274 Q281	D274-V278 WeakPolarHBondContact O-CG2 3.39Å; V278-Q281 WeakPolarHBondContact O-CG 3.49Å
279	S	37.5	Very low	44	Very low	96 Å²	96	102.3 Å²	102.3	67%	0.671	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-69.5	-35.1	177.8	44	0	0	0	0	114.3	T277 Q281	T277-S279 VanDerWaalsContact C-N 3.25Å; T277-S279 PolarHBondContact O-N 3.15Å; S279-Q281 PolarHBondContact O-N 3.34Å
280	D	38.9	Very low	42.2	Very low	114 Å²	114	100.7 Å²	100.7	61%	0.61	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-98.6	31.3	-165.2	-70.5	-65.1	0	0	0	114.9	K282 L283	D280-K282 PolarHBondContact O-N 2.99Å; D280-L283 PolarHBondContact O-N 2.85Å; D280-L283 VanDerWaalsContact O-N 3.09Å
281	Q	42.1	Very low	40.8	Very low	139 Å²	139	104.3 Å²	104.3	65%	0.65	59%	0.586	S	S	*	*	H	α-helix	trans	-58.6	-11.7	-178.6	-69.1	-176.8	5	0	0	115	V278 S279	V278-Q281 WeakPolarHBondContact O-CG 3.49Å; S279-Q281 PolarHBondContact O-N 3.34Å
282	K	40.8	Very low	40	Very low	190 Å²	190	105.1 Å²	105.1	83%	0.826	59%	0.589	S	S	*	*	H	α-helix	trans	-77.2	-18.1	175.2	-78.6	-176.6	176.3	175.7	0	114.9	D280	D280-K282 PolarHBondContact O-N 2.99Å
283	L	39.7	Very low	39.6	Very low	127 Å²	127	107 Å²	107	67%	0.665	59%	0.592	S	S	*	*	H	α-helix	trans	-83	-31	-176.2	-138.9	77.9	0	0	0	113.1	D280	D280-L283 PolarHBondContact O-N 2.85Å; D280-L283 VanDerWaalsContact O-N 3.09Å
284	I	38.9	Very low	39	Very low	109 Å²	109	110.7 Å²	110.7	56%	0.559	60%	0.6	S	S	*	*	H	α-helix	trans	-73.1	-35.4	-167.5	-58.4	176	0	0	0	112.4	N286 I287 V288	I284-N286 PolarHBondContact O-N 2.8Å; I284-N286 VanDerWaalsContact O-N 3.15Å; I284-I287 PolarHBondContact O-N 3.06Å; I284-I287 VanDerWaalsContact O-N 3.15Å; I284-V288 PolarHBondContact O-N 3.24Å
285	S	36.4	Very low	38.8	Very low	62 Å²	62	109.3 Å²	109.3	43%	0.434	60%	0.596	S	S	.	*	H	α-helix	trans	-57.8	-30.7	-179.2	53.3	0	0	0	0	113.7
286	N	37.8	Very low	38.6	Very low	118 Å²	118	112.1 Å²	112.1	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-82.8	-22.9	-175.1	-60.8	-3.1	0	0	0	111.8	I284	I284-N286 PolarHBondContact O-N 2.8Å; I284-N286 VanDerWaalsContact O-N 3.15Å
287	I	40	Very low	38.3	Very low	98 Å²	98	112.1 Å²	112.1	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-77.6	-40.3	177.4	-59.7	174	0	0	0	110.4	I284 G290	I284-I287 PolarHBondContact O-N 3.06Å; I284-I287 VanDerWaalsContact O-N 3.15Å; I287-G290 PolarHBondContact O-N 3.23Å
288	V	39.5	Very low	38.2	Very low	82 Å²	82	113 Å²	113	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-46.7	-179.7	178.1	0	0	0	0	111.4	I284 G290 Q291	I284-V288 PolarHBondContact O-N 3.24Å; V288-G290 PolarHBondContact O-N 3.2Å; V288-Q291 PolarHBondContact O-N 3.44Å
289	N	37.9	Very low	38	Very low	119 Å²	119	113.1 Å²	113.1	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-65.2	-19.8	-179.6	-66.9	-12.3	0	0	0	113.7
290	G	39.1	Very low	38	Very low	49 Å²	49	112.6 Å²	112.6	51%	0.505	59%	0.594	S	S	.	*	H	α-helix	trans	-78.8	-23	176.6	0	0	0	0	0	114.4	I287 V288	I287-G290 PolarHBondContact O-N 3.23Å; V288-G290 PolarHBondContact O-N 3.2Å
291	Q	36.9	Very low	37.7	Very low	117 Å²	117	116.9 Å²	116.9	55%	0.547	60%	0.603	S	S	.	*	H	α-helix	trans	-81.2	-22.8	-169.2	-71.1	-179.3	-14.1	0	0	114.1	V288 N293 Y294 T295	V288-Q291 PolarHBondContact O-N 3.44Å; Q291-N293 PolarHBondContact O-N 3.46Å; Q291-Y294 PolarHBondContact O-N 3.03Å; Q291-T295 PolarHBondContact O-N 2.83Å
292	E	37.2	Very low	37.3	Very low	132 Å²	132	118.7 Å²	118.7	62%	0.617	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-18.3	-177.8	-60.4	-163.2	146.7	0	0	114.3	R296	E292-R296 PolarHBondContact O-NH2 2.88Å
293	N	37.3	Very low	36.9	Very low	98 Å²	98	117.1 Å²	117.1	52%	0.524	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-20.5	177.5	-70.6	-33.2	0	0	0	113.4	Q291 R296	Q291-N293 PolarHBondContact O-N 3.46Å; N293-R296 PolarHBondContact OD1-NH1 3.43Å; N293-R296 PolarHBondContact OD1-NH2 3.11Å
294	Y	33.4	Very low	36.8	Very low	176 Å²	176	116.9 Å²	116.9	69%	0.69	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-40.5	-179.7	-157.7	-98	0	0	0	111.9	Q291 R296 N297 I298	Q291-Y294 PolarHBondContact O-N 3.03Å; Y294-R296 PolarHBondContact O-N 3.27Å; Y294-N297 PolarHBondContact O-N 3.47Å; Y294-I298 HydrophobicContact CD1-CD1 4.02Å; Y294-I298 HydrophobicContact CE1-CD1 3.95Å
295	T	39.4	Very low	36.4	Very low	89 Å²	89	121.8 Å²	121.8	55%	0.546	62%	0.623	S	S	.	*	H	α-helix	trans	-63	-28.5	177.5	49.8	0	0	0	0	113.2	Q291 N297	Q291-T295 PolarHBondContact O-N 2.83Å; T295-N297 VanDerWaalsContact C-N 3.32Å; T295-N297 PolarHBondContact O-N 2.73Å
296	R	36.3	Very low	36	Very low	151 Å²	151	129.4 Å²	129.4	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-70.4	-24.5	179.9	-147.6	177	-61.1	117	2.3	113.6	E292 N293 Y294	E292-R296 PolarHBondContact O-NH2 2.88Å; N293-R296 PolarHBondContact OD1-NH1 3.43Å; N293-R296 PolarHBondContact OD1-NH2 3.11Å; Y294-R296 PolarHBondContact O-N 3.27Å
297	N	36.1	Very low	35.6	Very low	116 Å²	116	130.3 Å²	130.3	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-93.5	-11.5	-177.1	-72.1	-16.3	0	0	0	114.5	Y294 T295 S300	Y294-N297 PolarHBondContact O-N 3.47Å; T295-N297 VanDerWaalsContact C-N 3.32Å; T295-N297 PolarHBondContact O-N 2.73Å; N297-S300 PolarHBondContact O-OG 3.46Å; N297-S300 VanDerWaalsContact O-OG 3.1Å
298	I	37.9	Very low	35.2	Very low	109 Å²	109	129.1 Å²	129.1	56%	0.559	65%	0.648	S	S	*	*	H	α-helix	trans	-84.3	-25.3	176.8	-64.3	174.4	0	0	0	111.1	Y294 S300	Y294-I298 HydrophobicContact CD1-CD1 4.02Å; Y294-I298 HydrophobicContact CE1-CD1 3.95Å; I298-S300 PolarHBondContact O-N 2.67Å
299	A	35.6	Very low	34.6	Very low	84 Å²	84	130.8 Å²	130.8	69%	0.694	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-11	-178.5	0	0	0	0	0	114.9
300	S	37.1	Very low	34.4	Very low	85 Å²	85	130.9 Å²	130.9	59%	0.594	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-12.5	-177.7	53.2	0	0	0	0	114.8	N297 I298	N297-S300 PolarHBondContact O-OG 3.46Å; N297-S300 VanDerWaalsContact O-OG 3.1Å; I298-S300 PolarHBondContact O-N 2.67Å
301	Y	32.6	Very low	34	Very low	205 Å²	205	135.8 Å²	135.8	80%	0.804	67%	0.668	S	S	*	*	S	Bend	trans	-98.3	1.3	-172.6	-87.8	-86.5	0	0	0	115.5	N303	Y301-N303 PolarHBondContact O-N 3.09Å
302	Q	34.1	Very low	33.5	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	67%	0.674	S	S	*	*			trans	-90.6	65.4	175.7	-70.3	-168.5	-19.3	0	0	112.2
303	N	31	Very low	33	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	68%	0.682	S	S	*	*			trans	-158.6	55.1	174.9	-106.5	-28.7	0	0	0	114.4	Y301	Y301-N303 PolarHBondContact O-N 3.09Å
304	D	37.7	Very low	32.6	Very low	123 Å²	123	137.8 Å²	137.8	66%	0.658	69%	0.692	S	S	*	*	S	Bend	trans	-159.4	145.7	144.1	-133.8	-22.9	0	0	0	115.3
305	R	31.7	Very low	32.4	Very low	212 Å²	212	137.6 Å²	137.6	80%	0.8	70%	0.702	S	S	*	*			trans	47.4	111.2	157.2	-81.6	162.3	-114	-150.4	5.2	123.3
306	Y	26.7	Very low	31.9	Very low	221 Å²	221	141.2 Å²	141.2	87%	0.867	72%	0.717	S	S	*	*			trans	-56.9	134.8	155.6	-142.8	-105.4	0	0	0	113.6	P308	Y306-P308 HydrophobicContact CD1-CG 4.39Å; Y306-P308 HydrophobicContact CE1-CG 4.16Å
307	N	30.4	Very low	31.5	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	73%	0.729	S	S	*	*			trans	-161.7	107.5	148.9	-169.2	4.8	0	0	0	112.4
308	P	31	Very low	31.3	Very low	73 Å²	73	145.8 Å²	145.8	47%	0.474	74%	0.743	S	S	.	*			trans	-94.8	108.3	175.4	33.5	-27.7	0	0	0	111.8	Y306	Y306-P308 HydrophobicContact CD1-CG 4.39Å; Y306-P308 HydrophobicContact CE1-CG 4.16Å
309	N	27.7	Very low	30.9	Very low	116 Å²	116	149.1 Å²	149.1	62%	0.62	76%	0.759	S	S	*	*			trans	170.6	46.5	155.3	-86.8	-31.3	0	0	0	113.2	Y942	N309-Y942 VanDerWaalsContact ND2-CE2 3.26Å; N309-Y942 WeakPolarHBondContact ND2-CE2 3.46Å; N309-Y942 PolarHBondContact ND2-OH 3.25Å; N309-Y942 PolarHBondContact OD1-OH 2.95Å
310	V	33.2	Very low	30.5	Very low	122 Å²	122	152.8 Å²	152.8	74%	0.739	77%	0.766	S	S	*	*			trans	-143	147.4	175.9	-152.6	0	0	0	0	112.8
311	H	29.8	Very low	30.3	Very low	151 Å²	151	156.3 Å²	156.3	70%	0.699	78%	0.778	S	S	*	*			trans	62.7	95.1	164.7	-93.2	-67.2	0	0	0	120
312	S	27.1	Very low	30.1	Very low	96 Å²	96	151.2 Å²	151.2	67%	0.671	76%	0.764	S	S	*	*	S	Bend	trans	-66.3	166.5	130.1	53.5	0	0	0	0	111
313	H	26.8	Very low	30	Very low	171 Å²	171	148 Å²	148	79%	0.792	76%	0.758	S	S	*	*			trans	59.9	78.7	175.8	-70.1	-104	0	0	0	117.4
314	V	28.3	Very low	29.7	Very low	122 Å²	122	147.4 Å²	147.4	74%	0.739	76%	0.755	S	S	*	*			trans	-149.2	80.3	145.8	-169.6	0	0	0	0	110.7
315	L	29.8	Very low	29.4	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	76%	0.761	S	S	*	*	S	Bend	trans	-164	24.4	160.8	-103.1	-157.3	0	0	0	114.4
316	L	28.4	Very low	29.3	Very low	165 Å²	165	144.6 Å²	144.6	86%	0.864	76%	0.761	S	S	*	*	S	Bend	trans	-141.5	24.6	176.8	-151	75.3	0	0	0	114.1
317	D	27.5	Very low	29.4	Very low	154 Å²	154	140 Å²	140	82%	0.824	76%	0.758	S	S	*	*			trans	-145	97	176.6	-83.1	-60.1	0	0	0	109.9
318	K	33.2	Very low	29.2	Very low	210 Å²	210	138.9 Å²	138.9	91%	0.913	76%	0.761	S	S	*	*	S	Bend	trans	-171.7	4	159.8	-116.7	171	-174.9	-179.2	0	118
319	M	29.1	Very low	28.9	Very low	179 Å²	179	139.1 Å²	139.1	88%	0.882	77%	0.769	S	S	*	*	S	Bend	trans	-122.6	98.1	171.4	-66.9	-173.1	75.1	0	0	109.4
320	N	27.1	Very low	28.8	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	78%	0.778	S	S	*	*			trans	167.7	73.6	156.9	-89.3	-9	0	0	0	110.5
321	L	32.2	Very low	28.5	Very low	160 Å²	160	144.4 Å²	144.4	84%	0.838	78%	0.779	S	S	*	*			trans	-151.1	86.3	163.2	-82.5	-172.8	0	0	0	111.6
322	L	30.1	Very low	28.4	Very low	98 Å²	98	146.3 Å²	146.3	51%	0.513	79%	0.789	S	S	.	*			trans	56.7	155.3	136.3	-57.6	167.6	0	0	0	120.8
323	P	30.4	Very low	28.6	Very low	108 Å²	108	146.5 Å²	146.5	70%	0.701	80%	0.796	S	S	*	*			cis	-135.9	175.3	-40.3	38.9	-23.5	0	0	0	112.5
324	D	25.6	Very low	28.6	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	79%	0.792	S	S	*	*			trans	-65.8	145.4	172.5	-57.7	-65.3	0	0	0	113.3
325	N	30.9	Very low	28.7	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	80%	0.798	S	S	*	*				-173.2	136.2	121.4	-103.8	-64.7	0	0	0	114.8
326	T	29.8	Very low	28.6	Very low	131 Å²	131	143.6 Å²	143.6	80%	0.804	79%	0.791	S	S	*	*			trans	65.2	144.1	159.5	53.2	0	0	0	0	120.3
327	P	29.8	Very low	28.8	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	79%	0.785	S	S	*	*			trans	-120	141.5	-168.8	39.1	-24.7	0	0	0	115.5
328	S	25.1	Very low	29.2	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	79%	0.787	S	S	*	*			trans	-163	140.5	148.7	57.3	0	0	0	0	113.7
329	A	26.1	Very low	29.1	Very low	78 Å²	78	142.6 Å²	142.6	65%	0.645	78%	0.782	S	S	*	*			trans	59.8	117.4	140.4	0	0	0	0	0	121.8
330	Y	25.1	Very low	29.2	Very low	205 Å²	205	140 Å²	140	80%	0.804	78%	0.779	S	S	*	*			trans	68.4	105.9	150	-57.1	-61.2	0	0	0	121.9
331	N	27	Very low	29.9	Very low	144 Å²	144	139 Å²	139	77%	0.77	77%	0.772	S	S	*	*				73.5	158.7	127.6	-56.5	-7	0	0	0	121.2
332	E	27.8	Very low	30.1	Very low	191 Å²	191	134.7 Å²	134.7	89%	0.893	77%	0.767	S	S	*	*			trans	66.1	77.5	166.6	-54.9	-163.1	169.2	0	0	119.1
333	A	30.1	Very low	30.7	Very low	100 Å²	100	137.9 Å²	137.9	83%	0.826	78%	0.777	S	S	*	*			trans	-149.3	27.5	160.2	0	0	0	0	0	115	N335	A333-N335 PolarHBondContact O-N 2.98Å; A333-N335 VanDerWaalsContact O-N 3.1Å
334	E	28.1	Very low	31.4	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	76%	0.759	S	S	*	*			trans	-69.4	103.8	170.8	-87.9	-148.4	104.2	0	0	111	K337	E334-K337 WeakPolarHBondContact OE1-CE 3.09Å; E334-K337 IonicContact OE1-NZ 2.71Å; E334-K337 PolarHBondContact OE1-NZ 3.48Å
335	N	28.6	Very low	32.2	Very low	162 Å²	162	130.3 Å²	130.3	87%	0.866	73%	0.728	S	S	*	*			trans	-177.2	57.8	144.1	-99.7	-53.2	0	0	0	114.2	A333	A333-N335 PolarHBondContact O-N 2.98Å; A333-N335 VanDerWaalsContact O-N 3.1Å
336	A	29	Very low	32.7	Very low	93 Å²	93	130.9 Å²	130.9	77%	0.769	73%	0.725	S	S	*	*			trans	-137.5	44.5	176.2	0	0	0	0	0	113.4	Q338	A336-Q338 PolarHBondContact O-N 3.15Å
337	K	33.1	Very low	33.1	Very low	168 Å²	168	135 Å²	135	73%	0.73	73%	0.732	S	S	*	*			trans	-72.9	100.1	-175.9	-74.6	173.1	179.8	160.1	0	111.7	E334	E334-K337 WeakPolarHBondContact OE1-CE 3.09Å; E334-K337 IonicContact OE1-NZ 2.71Å; E334-K337 PolarHBondContact OE1-NZ 3.48Å
338	Q	34.6	Very low	33.4	Very low	185 Å²	185	131 Å²	131	86%	0.864	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-57	145.4	166	-66.6	179.6	-11.2	0	0	110.5	A336	A336-Q338 PolarHBondContact O-N 3.15Å
339	L	30.7	Very low	34.1	Very low	155 Å²	155	128.4 Å²	128.4	81%	0.812	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-69.3	127.2	171.6	-91.9	74.7	0	0	0	110	L341	L339-L341 PolarHBondContact O-N 2.89Å
340	P	32.4	Very low	34.8	Very low	125 Å²	125	125.8 Å²	125.8	81%	0.812	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.7	177.9	27	-33.4	0	0	0	111.1	G342	P340-G342 PolarHBondContact O-N 2.69Å
341	L	41	Very low	35.4	Very low	137 Å²	137	118.5 Å²	118.5	72%	0.717	65%	0.65	S	S	*	*			trans	-81	42.7	179.2	-84.4	163	0	0	0	112.8	L339 F343 F344	L339-L341 PolarHBondContact O-N 2.89Å; L341-F343 PolarHBondContact O-N 3.4Å; L341-F344 HydrophobicContact CB-CD2 4.45Å; L341-F344 HydrophobicContact CD2-CD2 4.11Å; L341-F344 HydrophobicContact CD2-CE2 3.87Å; L341-F344 PolarHBondContact O-N 2.78Å
342	G	37.3	Very low	35.7	Very low	71 Å²	71	113.3 Å²	113.3	73%	0.732	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	44.2	-173.8	0	0	0	0	0	116.1	P340	P340-G342 PolarHBondContact O-N 2.69Å
343	F	42	Very low	36.4	Very low	164 Å²	164	107.3 Å²	107.3	72%	0.719	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	-4.1	174.3	-112.4	-81.6	0	0	0	113.4	L341	L341-F343 PolarHBondContact O-N 3.4Å
344	F	45.4	Very low	36.8	Very low	71 Å²	71	104.5 Å²	104.5	31%	0.311	58%	0.581	S	S	.	*	S	Bend	trans	-93.9	146.6	168.6	-72.3	-96.4	0	0	0	108.9	L260 L341 E346 L378	L260-F344 HydrophobicContact CD1-CD1 3.91Å; L260-F344 HydrophobicContact CD1-CE1 4.05Å; L260-F344 HydrophobicContact CD2-CE1 4.43Å; L260-F344 HydrophobicContact CG-CD1 4.18Å; L260-F344 HydrophobicContact CG-CE1 4.02Å; L341-F344 HydrophobicContact CB-CD2 4.45Å; L341-F344 HydrophobicContact CD2-CD2 4.11Å; L341-F344 HydrophobicContact CD2-CE2 3.87Å; L341-F344 PolarHBondContact O-N 2.78Å; F344-E346 PolarHBondContact O-N 2.99Å; F344-L378 HydrophobicContact CD1-CD1 4.42Å; F344-L378 HydrophobicContact CE1-CD1 3.52Å; F344-L378 HydrophobicContact CZ-CB 4.45Å; F344-L378 HydrophobicContact CZ-CD1 3.68Å; F344-L378 HydrophobicContact CZ-CG 4.49Å
345	L	43.5	Very low	37.1	Very low	24 Å²	24	101 Å²	101	13%	0.126	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-60.6	135.8	163.4	-66.8	175.4	0	0	0	108.8	E259 F266 F269 T270	E259-L345 WeakPolarHBondContact O-CD1 3.45Å; F266-L345 HydrophobicContact CB-CD1 4.2Å; F269-L345 HydrophobicContact CB-CD2 3.94Å; T270-L345 HydrophobicContact CG2-CD2 3.86Å
346	E	40.1	Very low	37.6	Very low	155 Å²	155	102.3 Å²	102.3	72%	0.724	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-63.4	151.4	178.2	-171.3	165	-142.1	0	0	110.5	F344 G348 S349	F344-E346 PolarHBondContact O-N 2.99Å; E346-G348 PolarHBondContact O-N 3Å; E346-S349 PolarHBondContact O-N 3.22Å
347	K	39.3	Very low	37.8	Very low	218 Å²	218	101.9 Å²	101.9	95%	0.948	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	73.7	-170.6	-170.6	-161.6	170.5	-164.9	0	111.4
348	G	35.1	Very low	37.9	Very low	42 Å²	42	98.2 Å²	98.2	43%	0.433	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	160.9	-27.5	-175.3	0	0	0	0	0	112.3	E346 S350 T351	E346-G348 PolarHBondContact O-N 3Å; G348-S350 PolarHBondContact O-N 3.14Å; G348-T351 WeakPolarHBondContact CA-OG1 3.29Å; G348-T351 PolarHBondContact O-OG1 3.45Å
349	S	39.4	Very low	38	Very low	58 Å²	58	95.6 Å²	95.6	41%	0.406	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-28.8	-177.1	-46	0	0	0	0	113.8	E346	E346-S349 PolarHBondContact O-N 3.22Å
350	S	40.5	Very low	38.4	Very low	24 Å²	24	95.5 Å²	95.5	17%	0.168	55%	0.554	C	S	.	*	S	Bend	trans	-92.6	-23.2	178.4	76.8	0	0	0	0	114.2	E259 G348 G352	E259-S350 WeakPolarHBondContact OE1-CB 3.4Å; E259-S350 PolarHBondContact OE1-OG 2.98Å; G348-S350 PolarHBondContact O-N 3.14Å; S350-G352 PolarHBondContact O-N 2.7Å; S350-G352 VanDerWaalsContact O-N 3.14Å
351	T	38.2	Very low	38.3	Very low	51 Å²	51	92 Å²	92	31%	0.313	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16	-176.1	41.6	0	0	0	0	113.6	G348 L353 A354 C355	G348-T351 WeakPolarHBondContact CA-OG1 3.29Å; G348-T351 PolarHBondContact O-OG1 3.45Å; T351-L353 PolarHBondContact O-N 3.18Å; T351-L353 VanDerWaalsContact O-N 3.12Å; T351-A354 PolarHBondContact O-N 3.31Å; T351-A354 VanDerWaalsContact O-N 3.12Å; T351-C355 WeakPolarHBondContact O-CB 3.33Å; T351-C355 PolarHBondContact O-N 3.33Å; T351-C355 PolarHBondContact O-SG 3.26Å
352	G	33.9	Very low	37.8	Very low	36 Å²	36	88 Å²	88	37%	0.371	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.3	-176.4	0	0	0	0	0	116.4	S350 K356	S350-G352 PolarHBondContact O-N 2.7Å; S350-G352 VanDerWaalsContact O-N 3.14Å; G352-K356 WeakPolarHBondContact O-CD 3.45Å; G352-K356 WeakPolarHBondContact O-CG 3.37Å
353	L	42.7	Very low	37.5	Very low	64 Å²	64	87.2 Å²	87.2	34%	0.335	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-91.5	-28.2	174.6	-72.4	173.1	0	0	0	113.5	Y265 F266 T351	Y265-L353 HydrophobicContact CD1-CD1 4.39Å; Y265-L353 HydrophobicContact CE1-CD1 3.97Å; F266-L353 HydrophobicContact CE1-CD1 4.23Å; T351-L353 PolarHBondContact O-N 3.18Å; T351-L353 VanDerWaalsContact O-N 3.12Å
354	A	38.8	Very low	37.3	Very low	41 Å²	41	83.7 Å²	83.7	34%	0.339	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-17.3	-178.4	0	0	0	0	0	113.7	T351	T351-A354 PolarHBondContact O-N 3.31Å; T351-A354 VanDerWaalsContact O-N 3.12Å
355	C	34.2	Very low	37	Very low	76 Å²	76	90.9 Å²	90.9	51%	0.514	51%	0.511	S	S	.	.	S	Bend	trans	-108	-4	-172.6	-63.5	0	0	0	0	115.2	T351	T351-C355 WeakPolarHBondContact O-CB 3.33Å; T351-C355 PolarHBondContact O-N 3.33Å; T351-C355 PolarHBondContact O-SG 3.26Å
356	K	37.9	Very low	37.1	Very low	191 Å²	191	90.9 Å²	90.9	83%	0.83	51%	0.51	S	S	*	.	S	Bend	trans	-90.6	-9.9	-173.9	-84.4	-167.4	173	-166.5	0	116.1	G352	G352-K356 WeakPolarHBondContact O-CD 3.45Å; G352-K356 WeakPolarHBondContact O-CG 3.37Å
357	A	34	Very low	37.5	Very low	84 Å²	84	85.3 Å²	85.3	69%	0.694	49%	0.487	S	S	*	.	S	Bend	trans	-107.9	-39.4	-167.5	0	0	0	0	0	116.1
358	L	34.6	Very low	38.2	Very low	91 Å²	91	77.2 Å²	77.2	48%	0.476	47%	0.465	S	S	.	.			trans	-144	142.8	-168	-71.9	173.8	0	0	0	113.7	W132 N360 A361	W132-L358 HydrophobicContact CD2-CD1 4.43Å; W132-L358 HydrophobicContact CE3-CD1 4.28Å; L358-N360 VanDerWaalsContact C-N 3.27Å; L358-N360 PolarHBondContact O-N 3.47Å; L358-A361 PolarHBondContact O-N 3.09Å
359	P	38	Very low	39.5	Very low	130 Å²	130	77 Å²	77	84%	0.844	46%	0.457	S	S	*	.	S	Bend	trans	-61.5	-31	173.8	-23.8	34.2	0	0	0	114	A361	P359-A361 PolarHBondContact O-N 3.48Å
360	N	37.7	Very low	40.6	Very low	153 Å²	153	75.3 Å²	75.3	82%	0.818	44%	0.442	S	S	*	.	S	Bend	trans	-78	56.3	172.4	-71.1	-23.8	0	0	0	110.5	L358	L358-N360 VanDerWaalsContact C-N 3.27Å; L358-N360 PolarHBondContact O-N 3.47Å
361	A	29.9	Very low	41.9	Very low	52 Å²	52	77 Å²	77	43%	0.43	45%	0.449	S	S	.	.			trans	-52.3	141.7	-172	0	0	0	0	0	112.1	L358 P359 A363	L358-A361 PolarHBondContact O-N 3.09Å; P359-A361 PolarHBondContact O-N 3.48Å; A361-A363 PolarHBondContact O-N 3.49Å
362	Y	32	Very low	43.3	Very low	53 Å²	53	79.3 Å²	79.3	21%	0.208	46%	0.459	C	S	.	.			trans	-67.9	74	168.9	-168.9	-88.6	0	0	0	108.8	E236 L364 H366	E236-Y362 PolarHBondContact OE2-OH 2.88Å; Y362-L364 PolarHBondContact O-N 2.9Å; Y362-H366 AromaticContact CE1-CE1 3.86Å; Y362-H366 AromaticContact CZ-CE1 3.99Å; Y362-H366 PolarHBondContact OH-CE1 3.1Å; Y362-H366 VanDerWaalsContact OH-CE1 3.26Å
363	A	30.4	Very low	44.9	Very low	54 Å²	54	80.3 Å²	80.3	45%	0.446	45%	0.452	S	S	.	.			trans	-56.1	136.4	174.8	0	0	0	0	0	107.7	A361 R365	A361-A363 PolarHBondContact O-N 3.49Å; A363-R365 HydrophobicContact CB-CG 4.09Å; A363-R365 PolarHBondContact O-N 3.37Å
364	L	37.8	Very low	45.9	Very low	90 Å²	90	77.9 Å²	77.9	47%	0.471	44%	0.44	S	S	.	.			trans	-71.6	44	-178.9	-73.4	163.4	0	0	0	112.7	F256 Y362 H366	F256-L364 HydrophobicContact CE2-CD2 4.16Å; Y362-L364 PolarHBondContact O-N 2.9Å; L364-H366 PolarHBondContact O-N 2.95Å
365	R	38.2	Very low	47.5	Very low	221 Å²	221	80.6 Å²	80.6	83%	0.834	44%	0.444	S	S	*	.			trans	-69.2	27.6	161.9	-56.1	-177.9	-169.4	-97.7	5.2	112	A363 T367	A363-R365 HydrophobicContact CB-CG 4.09Å; A363-R365 PolarHBondContact O-N 3.37Å; R365-T367 PolarHBondContact O-N 3.21Å; R365-T367 VanDerWaalsContact O-N 3.13Å
366	H	45.8	Very low	49.1	Very low	25 Å²	25	80 Å²	80	12%	0.116	44%	0.444	C	S	.	.			trans	-48.7	123.2	144.7	-70.1	-22.2	0	0	0	106.5	F256 Y362 L364 R370	F256-H366 AromaticContact CD2-CD2 3.57Å; F256-H366 AromaticContact CD2-NE2 3.64Å; F256-H366 AromaticContact CE2-CD2 3.67Å; F256-H366 AromaticContact CG-CD2 3.82Å; F256-H366 AromaticContact CG-NE2 3.8Å; F256-H366 AromaticContact CZ-CD2 4Å; Y362-H366 AromaticContact CE1-CE1 3.86Å; Y362-H366 AromaticContact CZ-CE1 3.99Å; Y362-H366 PolarHBondContact OH-CE1 3.1Å; Y362-H366 VanDerWaalsContact OH-CE1 3.26Å; L364-H366 PolarHBondContact O-N 2.95Å; H366-R370 HydrophobicContact CB-CB 4.26Å; H366-R370 PolarHBondContact CE1-NH1 3.34Å; H366-R370 PolarHBondContact NE2-NH1 2.83Å
367	T	50.1	Low	50.6	Low	38 Å²	38	75.8 Å²	75.8	23%	0.233	42%	0.423	C	S	.	.			trans	-48.4	148.1	-178.9	63.2	0	0	0	0	109.4	D235 R365 S369 R370 L371	D235-T367 WeakPolarHBondContact OD1-CG2 3.42Å; D235-T367 PolarHBondContact OD1-OG1 3.09Å; R365-T367 PolarHBondContact O-N 3.21Å; R365-T367 VanDerWaalsContact O-N 3.13Å; T367-S369 CarbonylContact O-C 3.59Å; T367-S369 PolarHBondContact O-N 3.44Å; T367-S369 WeakPolarHBondContact OG1-CB 3.44Å; T367-S369 PolarHBondContact OG1-OG 3.13Å; T367-R370 PolarHBondContact O-N 3.04Å; T367-R370 PolarHBondContact OG1-N 3.41Å; T367-L371 PolarHBondContact O-N 3.33Å
368	G	53.4	Low	52.2	Low	48 Å²	48	73.6 Å²	73.6	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-51	-29.5	175.3	0	0	0	0	0	111.7	N372	G368-N372 WeakPolarHBondContact O-CB 3.34Å; G368-N372 PolarHBondContact O-N 3.01Å; G368-N372 PolarHBondContact O-ND2 3.18Å
369	S	62.4	Low	53.9	Low	38 Å²	38	76.3 Å²	76.3	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-44	-60.1	164.7	126.3	0	0	0	0	114.1	D235 T367 R373	D235-S369 PolarHBondContact OD1-OG 3.11Å; D235-S369 PolarHBondContact OD2-OG 2.82Å; T367-S369 CarbonylContact O-C 3.59Å; T367-S369 PolarHBondContact O-N 3.44Å; T367-S369 WeakPolarHBondContact OG1-CB 3.44Å; T367-S369 PolarHBondContact OG1-OG 3.13Å; S369-R373 VanDerWaalsContact O-CB 3.32Å; S369-R373 WeakPolarHBondContact O-CB 3.26Å; S369-R373 PolarHBondContact O-N 2.88Å; S369-R373 PolarHBondContact OG-NH2 2.84Å
370	R	62.9	Low	55.5	Low	22 Å²	22	72.8 Å²	72.8	8%	0.083	39%	0.39	C	S	.	.	H	α-helix	trans	-66.8	-48	-176.4	-171.2	-171.1	-169.9	168.2	13.9	111.4	D206 F256 H366 T367 N372 R373 V374	D206-R370 IonicContact OD2-CZ 3.2Å; D206-R370 IonicContact OD2-NH2 2.8Å; D206-R370 PolarHBondContact OD2-NH2 2.82Å; F256-R370 VanDerWaalsContact CB-CZ 3.48Å; F256-R370 HydrophobicContact CD1-CG 4.27Å; F256-R370 HydrophobicContact CE1-CG 4.32Å; H366-R370 HydrophobicContact CB-CB 4.26Å; H366-R370 PolarHBondContact CE1-NH1 3.34Å; H366-R370 PolarHBondContact NE2-NH1 2.83Å; T367-R370 PolarHBondContact O-N 3.04Å; T367-R370 PolarHBondContact OG1-N 3.41Å; R370-N372 VanDerWaalsContact C-N 3.33Å; R370-N372 PolarHBondContact O-N 3.47Å; R370-R373 WeakPolarHBondContact O-CB 3.37Å; R370-R373 PolarHBondContact O-N 3.32Å; R370-R373 VanDerWaalsContact O-N 3.12Å; R370-V374 PolarHBondContact O-N 3.12Å
371	L	67.6	Low	57	Low	60 Å²	60	68.2 Å²	68.2	31%	0.314	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-44.8	-178.9	-177.9	63.3	0	0	0	111.1	F256 T367 K375	F256-L371 HydrophobicContact CZ-CD1 4.05Å; T367-L371 PolarHBondContact O-N 3.33Å; L371-K375 HydrophobicContact CD1-CD 4.4Å; L371-K375 HydrophobicContact CG-CD 4.19Å; L371-K375 WeakPolarHBondContact O-CB 3.32Å; L371-K375 VanDerWaalsContact O-CG 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 3.41Å
372	N	67.7	Low	58.8	Low	99 Å²	99	71.8 Å²	71.8	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-68	-35.8	176.4	-65.9	-13.6	0	0	0	111.8	G368 R370 A376	G368-N372 WeakPolarHBondContact O-CB 3.34Å; G368-N372 PolarHBondContact O-N 3.01Å; G368-N372 PolarHBondContact O-ND2 3.18Å; R370-N372 VanDerWaalsContact C-N 3.33Å; R370-N372 PolarHBondContact O-N 3.47Å; N372-A376 WeakPolarHBondContact O-CB 3.49Å; N372-A376 PolarHBondContact O-N 3.05Å
373	R	66.9	Low	60.7	Low	57 Å²	57	72 Å²	72	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-51.2	174.9	-120.4	-178.7	-66.7	-156.2	-3.6	112.5	M229 D230 D235 S369 R370 R377	M229-R373 WeakPolarHBondContact SD-CD 3.3Å; M229-R373 PolarHBondContact SD-NH1 2.88Å; D230-R373 PolarHBondContact O-NH1 2.95Å; D235-R373 IonicContact OD1-NH2 3.28Å; D235-R373 IonicContact OD2-CZ 2.56Å; D235-R373 IonicContact OD2-NH2 3.97Å; D235-R373 PolarHBondContact OD2-NH2 3.48Å; S369-R373 VanDerWaalsContact O-CB 3.32Å; S369-R373 WeakPolarHBondContact O-CB 3.26Å; S369-R373 PolarHBondContact O-N 2.88Å; S369-R373 PolarHBondContact OG-NH2 2.84Å; R370-R373 WeakPolarHBondContact O-CB 3.37Å; R370-R373 PolarHBondContact O-N 3.32Å; R370-R373 VanDerWaalsContact O-N 3.12Å; R373-R377 PolarHBondContact O-N 2.89Å; R373-R377 VanDerWaalsContact O-N 3.08Å
374	V	64.3	Low	62.5	Low	13 Å²	13	72.2 Å²	72.2	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-73.1	-39.3	-177.2	-165.5	0	0	0	0	110.2	F256 T257 L260 R370 A376 R377 L378	F256-V374 HydrophobicContact CD1-CG2 4.28Å; F256-V374 HydrophobicContact CE1-CG2 4.17Å; T257-V374 HydrophobicContact CG2-CG1 3.82Å; L260-V374 HydrophobicContact CB-CG1 4.47Å; L260-V374 HydrophobicContact CD2-CB 3.73Å; L260-V374 HydrophobicContact CD2-CG1 3.65Å; R370-V374 PolarHBondContact O-N 3.12Å; V374-A376 PolarHBondContact O-N 3.36Å; V374-R377 PolarHBondContact O-N 3.49Å; V374-L378 WeakPolarHBondContact O-CB 3.35Å; V374-L378 PolarHBondContact O-N 2.87Å
375	K	70.8	Confident	64	Low	98 Å²	98	70.8 Å²	70.8	43%	0.426	39%	0.385	S	S	.	.	H	α-helix	trans	-57	-46.3	171.1	-77.5	178.4	176.1	-179.4	0	112.9	L260 L371 L378 F379	L260-K375 HydrophobicContact CD2-CG 4.46Å; L371-K375 HydrophobicContact CD1-CD 4.4Å; L371-K375 HydrophobicContact CG-CD 4.19Å; L371-K375 WeakPolarHBondContact O-CB 3.32Å; L371-K375 VanDerWaalsContact O-CG 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 3.41Å; K375-L378 WeakPolarHBondContact O-CB 3.48Å; K375-L378 PolarHBondContact O-N 2.99Å; K375-F379 PolarHBondContact O-N 3.05Å
376	A	69.6	Low	65.5	Low	62 Å²	62	62.8 Å²	62.8	51%	0.512	36%	0.36	S	S	.	.	H	α-helix	trans	-65.4	-39.9	179.3	0	0	0	0	0	112.2	N372 V374 F379 A380	N372-A376 WeakPolarHBondContact O-CB 3.49Å; N372-A376 PolarHBondContact O-N 3.05Å; V374-A376 PolarHBondContact O-N 3.36Å; A376-F379 PolarHBondContact O-N 2.98Å; A376-A380 WeakPolarHBondContact O-CB 3.4Å; A376-A380 PolarHBondContact O-N 3.31Å
377	R	67.6	Low	66.6	Low	104 Å²	104	65.5 Å²	65.5	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-37.3	172.3	-78.4	-179.2	164.8	174.7	-6.4	112.6	R373 V374 A380 A381	R373-R377 PolarHBondContact O-N 2.89Å; R373-R377 VanDerWaalsContact O-N 3.08Å; V374-R377 PolarHBondContact O-N 3.49Å; R377-A380 PolarHBondContact O-N 2.71Å; R377-A381 VanDerWaalsContact O-CB 3.3Å; R377-A381 WeakPolarHBondContact O-CB 3.41Å; R377-A381 PolarHBondContact O-N 2.88Å
378	L	68.4	Low	67.4	Low	37 Å²	37	72.4 Å²	72.4	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-45.9	173.2	-107	164.8	0	0	0	111.9	L260 L261 F344 V374 K375 A381 K382	L260-L378 HydrophobicContact CD2-CD1 4.01Å; L260-L378 HydrophobicContact CG-CD1 4.01Å; L261-L378 HydrophobicContact CD2-CD1 3.82Å; L261-L378 HydrophobicContact CD2-CD2 3.52Å; L261-L378 HydrophobicContact CD2-CG 3.53Å; F344-L378 HydrophobicContact CD1-CD1 4.42Å; F344-L378 HydrophobicContact CE1-CD1 3.52Å; F344-L378 HydrophobicContact CZ-CB 4.45Å; F344-L378 HydrophobicContact CZ-CD1 3.68Å; F344-L378 HydrophobicContact CZ-CG 4.49Å; V374-L378 WeakPolarHBondContact O-CB 3.35Å; V374-L378 PolarHBondContact O-N 2.87Å; K375-L378 WeakPolarHBondContact O-CB 3.48Å; K375-L378 PolarHBondContact O-N 2.99Å; L378-A381 PolarHBondContact O-N 2.78Å; L378-K382 WeakPolarHBondContact O-CB 3.41Å; L378-K382 PolarHBondContact O-N 2.78Å
379	F	70.4	Confident	67.6	Low	148 Å²	148	74.6 Å²	74.6	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-60.9	-48	174.7	-173.6	-96.7	0	0	0	111.4	K375 A376 A381 K382 V383	K375-F379 PolarHBondContact O-N 3.05Å; A376-F379 PolarHBondContact O-N 2.98Å; F379-A381 PolarHBondContact O-N 2.66Å; F379-K382 PolarHBondContact O-N 2.85Å; F379-V383 HydrophobicContact CD1-CG2 4.1Å; F379-V383 HydrophobicContact CE1-CG2 3.77Å; F379-V383 HydrophobicContact CZ-CG2 4.06Å; F379-V383 WeakPolarHBondContact O-CG2 3.34Å; F379-V383 PolarHBondContact O-N 3.35Å
380	A	72	Confident	67.1	Low	57 Å²	57	79.8 Å²	79.8	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-40.8	176.5	0	0	0	0	0	112.8	A376 R377 V383 A384	A376-A380 WeakPolarHBondContact O-CB 3.4Å; A376-A380 PolarHBondContact O-N 3.31Å; R377-A380 PolarHBondContact O-N 2.71Å; A380-V383 PolarHBondContact O-N 2.69Å; A380-A384 WeakPolarHBondContact O-CB 3.23Å; A380-A384 PolarHBondContact O-N 3.24Å
381	A	68.3	Low	66.1	Low	56 Å²	56	81.2 Å²	81.2	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-38.1	175	0	0	0	0	0	112.2	R377 L378 F379 A384 S385	R377-A381 VanDerWaalsContact O-CB 3.3Å; R377-A381 WeakPolarHBondContact O-CB 3.41Å; R377-A381 PolarHBondContact O-N 2.88Å; L378-A381 PolarHBondContact O-N 2.78Å; F379-A381 PolarHBondContact O-N 2.66Å; A381-A384 PolarHBondContact O-N 3.02Å; A381-S385 WeakPolarHBondContact O-CB 3.33Å; A381-S385 PolarHBondContact O-N 3.27Å; A381-S385 PolarHBondContact O-OG 3.07Å
382	K	67.6	Low	64.9	Low	127 Å²	127	83.5 Å²	83.5	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-64.9	-47.8	174	-173	64.8	174.1	-177.5	0	110.7	L378 F379 A384 S385 V386	L378-K382 WeakPolarHBondContact O-CB 3.41Å; L378-K382 PolarHBondContact O-N 2.78Å; F379-K382 PolarHBondContact O-N 2.85Å; K382-A384 VanDerWaalsContact C-N 3.35Å; K382-A384 PolarHBondContact O-N 2.76Å; K382-S385 PolarHBondContact O-N 2.87Å; K382-S385 VanDerWaalsContact O-N 3.16Å; K382-S385 PolarHBondContact O-OG 3.25Å; K382-V386 HydrophobicContact CG-CG2 4.5Å; K382-V386 WeakPolarHBondContact O-CB 3.27Å; K382-V386 VanDerWaalsContact O-CG2 3.27Å; K382-V386 WeakPolarHBondContact O-CG2 3.46Å; K382-V386 PolarHBondContact O-N 2.89Å
383	V	71.7	Confident	63.5	Low	57 Å²	57	85.1 Å²	85.1	35%	0.345	48%	0.475	S	S	.	.	H	α-helix	trans	-58.2	-44.4	174.6	171.6	0	0	0	0	111.3	F379 A380 S385 V386 N387	F379-V383 HydrophobicContact CD1-CG2 4.1Å; F379-V383 HydrophobicContact CE1-CG2 3.77Å; F379-V383 HydrophobicContact CZ-CG2 4.06Å; F379-V383 WeakPolarHBondContact O-CG2 3.34Å; F379-V383 PolarHBondContact O-N 3.35Å; A380-V383 PolarHBondContact O-N 2.69Å; V383-S385 PolarHBondContact O-N 3.35Å; V383-V386 PolarHBondContact O-N 3.03Å; V383-N387 WeakPolarHBondContact O-CB 3.41Å; V383-N387 VanDerWaalsContact O-CG 3.23Å; V383-N387 PolarHBondContact O-N 2.79Å; V383-N387 PolarHBondContact O-OD1 3.34Å
384	A	69.5	Low	62.1	Low	59 Å²	59	87.3 Å²	87.3	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-40.4	175.9	0	0	0	0	0	112.5	A380 A381 K382 K388	A380-A384 WeakPolarHBondContact O-CB 3.23Å; A380-A384 PolarHBondContact O-N 3.24Å; A381-A384 PolarHBondContact O-N 3.02Å; K382-A384 VanDerWaalsContact C-N 3.35Å; K382-A384 PolarHBondContact O-N 2.76Å; A384-K388 WeakPolarHBondContact O-CB 3.18Å; A384-K388 PolarHBondContact O-N 3.3Å; A384-K388 VanDerWaalsContact O-N 3.11Å
385	S	69.6	Low	60.7	Low	61 Å²	61	93.9 Å²	93.9	43%	0.427	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-41.3	175	71.8	0	0	0	0	112.2	A381 K382 V383 K388 S389	A381-S385 WeakPolarHBondContact O-CB 3.33Å; A381-S385 PolarHBondContact O-N 3.27Å; A381-S385 PolarHBondContact O-OG 3.07Å; K382-S385 PolarHBondContact O-N 2.87Å; K382-S385 VanDerWaalsContact O-N 3.16Å; K382-S385 PolarHBondContact O-OG 3.25Å; V383-S385 PolarHBondContact O-N 3.35Å; S385-K388 PolarHBondContact O-N 3.16Å; S385-S389 PolarHBondContact O-N 2.87Å; S385-S389 PolarHBondContact O-OG 3.23Å; S385-S389 VanDerWaalsContact O-OG 3.13Å
386	V	68.5	Low	58.9	Low	52 Å²	52	97.4 Å²	97.4	32%	0.315	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-51.7	177	164.6	0	0	0	0	110.7	K382 V383 K388 S389 F390	K382-V386 HydrophobicContact CG-CG2 4.5Å; K382-V386 WeakPolarHBondContact O-CB 3.27Å; K382-V386 VanDerWaalsContact O-CG2 3.27Å; K382-V386 WeakPolarHBondContact O-CG2 3.46Å; K382-V386 PolarHBondContact O-N 2.89Å; V383-V386 PolarHBondContact O-N 3.03Å; V386-K388 PolarHBondContact O-N 3.03Å; V386-S389 WeakPolarHBondContact CA-OG 3.46Å; V386-S389 PolarHBondContact O-N 3.05Å; V386-S389 VanDerWaalsContact O-N 3.11Å; V386-S389 PolarHBondContact O-OG 3.44Å; V386-F390 HydrophobicContact CG1-CD2 3.69Å; V386-F390 HydrophobicContact CG1-CE2 3.87Å; V386-F390 VanDerWaalsContact O-CD2 3.32Å; V386-F390 WeakPolarHBondContact O-CD2 3.3Å; V386-F390 PolarHBondContact O-N 2.91Å
387	N	69.3	Low	57.1	Low	83 Å²	83	101.9 Å²	101.9	44%	0.444	56%	0.562	S	S	.	*	H	α-helix	trans	-59.7	-36	177.9	-66.9	-1.3	0	0	0	112	V383 G391 V392	V383-N387 WeakPolarHBondContact O-CB 3.41Å; V383-N387 VanDerWaalsContact O-CG 3.23Å; V383-N387 PolarHBondContact O-N 2.79Å; V383-N387 PolarHBondContact O-OD1 3.34Å; N387-G391 PolarHBondContact O-N 3.44Å; N387-V392 PolarHBondContact O-N 2.74Å
388	K	66.9	Low	55.6	Low	183 Å²	183	107.2 Å²	107.2	80%	0.796	58%	0.582	S	S	*	*	H	α-helix	trans	-71.3	-35.3	176.5	-165.2	171.2	-175.1	176.9	0	112.7	A384 S385 V386	A384-K388 WeakPolarHBondContact O-CB 3.18Å; A384-K388 PolarHBondContact O-N 3.3Å; A384-K388 VanDerWaalsContact O-N 3.11Å; S385-K388 PolarHBondContact O-N 3.16Å; V386-K388 PolarHBondContact O-N 3.03Å
389	S	57.7	Low	53.9	Low	93 Å²	93	115.2 Å²	115.2	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-73.9	-30.9	172.3	48.3	0	0	0	0	113.7	S385 V386 G391	S385-S389 PolarHBondContact O-N 2.87Å; S385-S389 PolarHBondContact O-OG 3.23Å; S385-S389 VanDerWaalsContact O-OG 3.13Å; V386-S389 WeakPolarHBondContact CA-OG 3.46Å; V386-S389 PolarHBondContact O-N 3.05Å; V386-S389 VanDerWaalsContact O-N 3.11Å; V386-S389 PolarHBondContact O-OG 3.44Å; S389-G391 PolarHBondContact O-N 3.3Å
390	F	52.7	Low	52.1	Low	147 Å²	147	113.6 Å²	113.6	65%	0.645	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	4.6	176.2	-81.9	-68.4	0	0	0	114.1	V386 V392	V386-F390 HydrophobicContact CG1-CD2 3.69Å; V386-F390 HydrophobicContact CG1-CE2 3.87Å; V386-F390 VanDerWaalsContact O-CD2 3.32Å; V386-F390 WeakPolarHBondContact O-CD2 3.3Å; V386-F390 PolarHBondContact O-N 2.91Å; F390-V392 HydrophobicContact CB-CG2 3.99Å; F390-V392 PolarHBondContact O-N 2.95Å
391	G	41.4	Very low	50.1	Low	53 Å²	53	121.1 Å²	121.1	55%	0.546	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	62.6	25.8	173.1	0	0	0	0	0	114.2	N387 S389 N393	N387-G391 PolarHBondContact O-N 3.44Å; S389-G391 PolarHBondContact O-N 3.3Å; G391-N393 PolarHBondContact O-N 3.36Å
392	V	42.7	Very low	48.5	Very low	107 Å²	107	124.5 Å²	124.5	65%	0.648	66%	0.656	S	S	*	*			trans	-75.9	69.1	-177.9	-168.9	0	0	0	0	110	N387 F390 S394	N387-V392 PolarHBondContact O-N 2.74Å; F390-V392 HydrophobicContact CB-CG2 3.99Å; F390-V392 PolarHBondContact O-N 2.95Å; V392-S394 PolarHBondContact O-N 3.06Å
393	N	38.1	Very low	46.8	Very low	134 Å²	134	127.9 Å²	127.9	72%	0.717	67%	0.671	S	S	*	*			trans	-63.4	114.6	163.7	-73.1	-26.1	0	0	0	107.6	G391 H395	G391-N393 PolarHBondContact O-N 3.36Å; N393-H395 VanDerWaalsContact C-N 3.32Å; N393-H395 PolarHBondContact O-N 3.24Å
394	S	37	Very low	45	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	69%	0.688	S	S	*	*			trans	-62.6	92.9	171	49.5	0	0	0	0	109.1	V392 E396	V392-S394 PolarHBondContact O-N 3.06Å; S394-E396 PolarHBondContact O-N 3.45Å
395	H	33.8	Very low	43.3	Very low	151 Å²	151	133.5 Å²	133.5	70%	0.699	71%	0.706	S	S	*	*			trans	-79.5	45.9	-169.6	-135.3	-50.2	0	0	0	112.5	N393 N397	N393-H395 VanDerWaalsContact C-N 3.32Å; N393-H395 PolarHBondContact O-N 3.24Å; H395-N397 PolarHBondContact O-N 3.43Å
396	E	34.6	Very low	41.3	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	73%	0.726	S	S	*	*			trans	-68.9	61.2	175.4	-68.4	-162.3	118.6	0	0	111.9	S394	S394-E396 PolarHBondContact O-N 3.45Å
397	N	32.2	Very low	39.7	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	75%	0.754	S	S	*	*			trans	-160.7	43.4	167.2	-106.5	-40.2	0	0	0	113.9	H395	H395-N397 PolarHBondContact O-N 3.43Å
398	R	34.5	Very low	37.7	Very low	216 Å²	216	154.3 Å²	154.3	82%	0.815	78%	0.776	S	S	*	*			trans	-139.9	87.7	161.7	-73.2	-167.2	174.4	176.6	-1	111.4	P400	R398-P400 VanDerWaalsContact O-CD 3.29Å; R398-P400 WeakPolarHBondContact O-CD 3.26Å
399	K	32.6	Very low	35.8	Very low	205 Å²	205	151.8 Å²	151.8	89%	0.891	78%	0.781	S	S	*	*			trans	-68.4	118.3	166.2	-74.6	-177	177.6	176.8	0	109.6	K401	K399-K401 PolarHBondContact O-N 2.87Å
400	P	33.8	Very low	34.6	Very low	114 Å²	114	151.6 Å²	151.6	74%	0.74	78%	0.779	S	S	*	*			trans	-71	124.1	172.8	-14.9	31.1	0	0	0	110	R398 V402	R398-P400 VanDerWaalsContact O-CD 3.29Å; R398-P400 WeakPolarHBondContact O-CD 3.26Å; P400-V402 PolarHBondContact O-N 2.87Å; P400-V402 VanDerWaalsContact O-N 3.09Å
401	K	28.8	Very low	33.4	Very low	216 Å²	216	151.9 Å²	151.9	94%	0.939	79%	0.787	S	S	*	*			trans	-77.7	88.8	172.7	-74.3	-176.3	178.5	177.4	0	110.1	K399	K399-K401 PolarHBondContact O-N 2.87Å
402	V	36.5	Very low	32.8	Very low	127 Å²	127	160.3 Å²	160.3	77%	0.77	80%	0.802	S	S	*	*			trans	-109.1	129	167.9	-176.1	0	0	0	0	109	P400	P400-V402 PolarHBondContact O-N 2.87Å; P400-V402 VanDerWaalsContact O-N 3.09Å
403	K	30.6	Very low	31.9	Very low	197 Å²	197	162.8 Å²	162.8	86%	0.857	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82	124.9	-174.9	-60.1	175.2	-177.9	176	0	110.7	S405	K403-S405 PolarHBondContact O-N 3.42Å
404	P	33.9	Very low	31.3	Very low	110 Å²	110	162.2 Å²	162.2	71%	0.714	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.8	121.7	160.3	30.5	-30.5	0	0	0	109
405	S	33.9	Very low	30.8	Very low	124 Å²	124	163.2 Å²	163.2	87%	0.867	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.9	134.4	174.5	-168.2	0	0	0	0	110.5	K403	K403-S405 PolarHBondContact O-N 3.42Å
406	Y	28.2	Very low	30.8	Very low	214 Å²	214	161.3 Å²	161.3	84%	0.839	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.1	136.1	177.9	-67.3	-100.7	0	0	0	111.2
407	K	34.4	Very low	30.6	Very low	210 Å²	210	160.1 Å²	160.1	91%	0.913	81%	0.814	S	S	*	*			trans	-156.7	133.7	139	-111.3	162.7	-173.2	-179.8	0	110.3
408	K	28	Very low	30.7	Very low	209 Å²	209	161 Å²	161	91%	0.909	82%	0.817	S	S	*	*			trans	-70.6	146.7	172.5	-69.3	176.2	177.3	174.7	0	109.4
409	C	27.4	Very low	30.8	Very low	131 Å²	131	157.4 Å²	157.4	89%	0.885	81%	0.813	S	S	*	*			trans	-124.9	165.4	141.3	-152.7	0	0	0	0	108.4
410	S	30.8	Very low	31	Very low	89 Å²	89	153.2 Å²	153.2	62%	0.622	81%	0.806	S	S	*	*			trans	-142.6	168.6	-161.5	58.4	0	0	0	0	112.1
411	L	28.7	Very low	31.3	Very low	152 Å²	152	152.3 Å²	152.3	80%	0.796	80%	0.803	S	S	*	*			trans	70.4	155.5	166.2	-60.7	167.1	0	0	0	114.1
412	R	27.7	Very low	31.6	Very low	231 Å²	231	148 Å²	148	87%	0.872	79%	0.789	S	S	*	*			cis	-150.6	-156.7	-32	-147.7	-178.9	-173.2	166.5	-1.3	107.6
413	M	24.7	Very low	31.7	Very low	158 Å²	158	151.2 Å²	151.2	78%	0.778	79%	0.788	S	S	*	*			trans	-85.5	179.8	-170.8	-68.5	-104.6	63.8	0	0	114.9
414	T	24.9	Very low	32	Very low	122 Å²	122	150.6 Å²	150.6	75%	0.748	78%	0.78	S	S	*	*			trans	83.8	119.5	147.2	39	0	0	0	0	121.7
415	V	27.7	Very low	32.3	Very low	123 Å²	123	151.3 Å²	151.3	75%	0.745	78%	0.778	S	S	*	*			trans	70.9	120.7	136.1	-179.6	0	0	0	0	116.4
416	S	33.8	Very low	32.6	Very low	111 Å²	111	153.5 Å²	153.5	78%	0.776	77%	0.772	S	S	*	*				-157.3	150.1	85	-65.9	0	0	0	0	114.9
417	N	30.5	Very low	33	Very low	149 Å²	149	148.6 Å²	148.6	80%	0.797	77%	0.769	S	S	*	*			trans	-89.7	148.2	174.3	-57.2	-54.8	0	0	0	111.6
418	I	34.5	Very low	33.3	Very low	173 Å²	173	143.4 Å²	143.4	89%	0.887	76%	0.759	S	S	*	*			trans	-135.9	135.9	150.6	-61.8	-175.4	0	0	0	108.2
419	I	35.5	Very low	33.8	Very low	141 Å²	141	138.4 Å²	138.4	72%	0.723	75%	0.75	S	S	*	*			trans	-124	144.4	-177.8	-33.5	176.2	0	0	0	108.9
420	P	37.9	Very low	34.1	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	75%	0.747	S	S	*	*				-143.3	169.3	115.3	30.6	-13.3	0	0	0	113.1
421	S	38.2	Very low	34.7	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	75%	0.746	S	S	*	*			cis	-174.2	-176.1	-29.8	70.2	0	0	0	0	107.4
422	L	36.9	Very low	35	Very low	125 Å²	125	141 Å²	141	65%	0.654	75%	0.748	S	S	*	*			cis	-152.5	126.7	7.9	-107.3	151.1	0	0	0	107.4
423	R	37.2	Very low	35.2	Very low	195 Å²	195	133.6 Å²	133.6	74%	0.736	74%	0.736	S	S	*	*			trans	66.4	152.8	151	-59.9	176.6	-179.9	175.8	2.5	118.6
424	R	38.2	Very low	35.8	Very low	184 Å²	184	134.6 Å²	134.6	69%	0.694	74%	0.743	S	S	*	*			cis	-164.1	146.7	-9.9	-117.1	173.7	180	171.4	-1.8	110.8
425	N	39.2	Very low	36.3	Very low	124 Å²	124	132 Å²	132	66%	0.663	74%	0.741	S	S	*	*			trans	65	147.3	144.6	-64.1	-6.1	0	0	0	119.9
426	K	39.4	Very low	36.7	Very low	170 Å²	170	136.9 Å²	136.9	74%	0.739	75%	0.746	S	S	*	*			cis	-168.7	139.2	-14.3	-119.7	-175	178.5	-171.3	0	110.3
427	S	37.7	Very low	36.9	Very low	111 Å²	111	139 Å²	139	78%	0.776	74%	0.741	S	S	*	*			trans	55.5	159.6	145.6	62.9	0	0	0	0	120.2
428	S	39.9	Very low	37.1	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	74%	0.742	S	S	*	*			cis	-153.5	146.2	11.6	47.4	0	0	0	0	113.7
429	S	39.7	Very low	37.1	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	72%	0.723	S	S	*	*			trans	39.6	112.8	143.4	64.6	0	0	0	0	122.9
430	N	33.7	Very low	37	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	73%	0.728	S	S	*	*				4.6	163.3	109.1	-99.5	7.6	0	0	0	119.2
431	P	42.9	Very low	36.9	Very low	95 Å²	95	141 Å²	141	62%	0.617	71%	0.714	S	S	*	*			cis	-142	-167.8	-27.9	37.5	-17.4	0	0	0	114.1
432	H	34.5	Very low	36.5	Very low	179 Å²	179	141.9 Å²	141.9	83%	0.829	72%	0.72	S	S	*	*			trans	78.3	121.9	150.5	-90.9	-62.7	0	0	0	122.9
433	A	33	Very low	36.2	Very low	76 Å²	76	142 Å²	142	63%	0.628	73%	0.726	S	S	*	*				96.1	148.1	126.2	0	0	0	0	0	121.7
434	I	37.7	Very low	35.8	Very low	180 Å²	180	137.2 Å²	137.2	92%	0.923	73%	0.728	S	S	*	*			trans	69.6	151.1	164.9	-59.4	151.7	0	0	0	115.5
435	G	34.8	Very low	35.3	Very low	68 Å²	68	132.7 Å²	132.7	70%	0.701	73%	0.73	S	S	*	*			trans	137.8	24.6	154.4	0	0	0	0	0	121.7
436	R	35.8	Very low	34.8	Very low	224 Å²	224	132.4 Å²	132.4	85%	0.845	73%	0.732	S	S	*	*			trans	18.1	137.2	149.2	-87.9	177.7	167.2	178	-2.7	120.8
437	K	37.8	Very low	34.5	Very low	155 Å²	155	133.2 Å²	133.2	67%	0.674	74%	0.736	S	S	*	*			trans	78.9	117.4	148.9	-66.6	171.2	177.8	-179.2	0	116.8
438	R	35.3	Very low	34.1	Very low	217 Å²	217	134.2 Å²	134.2	82%	0.819	73%	0.733	S	S	*	*				89.9	150.5	100.6	-78.5	-176.3	174.4	-172.5	-3.2	112.9
439	R	35.1	Very low	33.9	Very low	132 Å²	132	140.9 Å²	140.9	50%	0.498	74%	0.742	S	S	.	*			cis	-171.4	177.7	-21.6	-161.6	-179.3	-171.1	-160.7	4.4	106.9	D770	R439-D770 IonicContact CZ-OD1 3.22Å; R439-D770 IonicContact CZ-OD2 2.65Å; R439-D770 IonicContact NH1-OD1 2.64Å; R439-D770 IonicContact NH1-OD2 3.52Å; R439-D770 PolarHBondContact NH1-OD2 2.94Å; R439-D770 IonicContact NH2-OD1 3.15Å; R439-D770 PolarHBondContact NH2-OD1 2.94Å; R439-D770 IonicContact NH2-OD2 3.83Å; R439-D770 PolarHBondContact NH2-OD2 3.27Å
440	M	33.2	Very low	33.6	Very low	166 Å²	166	143.5 Å²	143.5	82%	0.818	74%	0.743	S	S	*	*			trans	75.7	153.6	172	-58.6	173.3	166.2	0	0	114.5
441	K	34.4	Very low	33.4	Very low	108 Å²	108	143 Å²	143	47%	0.47	74%	0.739	S	S	.	*			cis	157.3	137.4	-33.3	-104.7	-179	173.5	173.8	0	105.7	D770	K441-D770 IonicContact NZ-OD1 3.47Å; K441-D770 PolarHBondContact NZ-OD1 3.44Å
442	S	30.3	Very low	33	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	74%	0.744	S	S	*	*			trans	68.9	171.1	156.9	72.4	0	0	0	0	119.8
443	V	30.9	Very low	32.8	Very low	129 Å²	129	140.5 Å²	140.5	78%	0.782	73%	0.732	S	S	*	*			trans	67.2	104.1	-177.7	-166	0	0	0	0	112
444	A	28	Very low	32.8	Very low	94 Å²	94	144 Å²	144	78%	0.777	74%	0.74	S	S	*	*			cis	74.9	155.8	43.4	0	0	0	0	0	114.6
445	A	28.5	Very low	32.7	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	73%	0.73	S	S	*	*			trans	75.2	118.9	169.9	0	0	0	0	0	120.7
446	V	28.5	Very low	32.5	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.715	74%	0.735	S	S	*	*				66.2	102.5	122.1	178.2	0	0	0	0	120.4
447	K	33.9	Very low	32.5	Very low	187 Å²	187	139.9 Å²	139.9	81%	0.813	73%	0.731	S	S	*	*				171.8	127.1	122.4	-93.2	140.7	-169	167.7	0	109.4
448	N	29.1	Very low	32.3	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	73%	0.734	S	S	*	*				75.1	108.6	62.2	-77.3	5.7	0	0	0	114.9
449	R	35.6	Very low	32.4	Very low	242 Å²	242	137.5 Å²	137.5	91%	0.913	73%	0.734	S	S	*	*			trans	163.5	99.7	158.7	-90.1	153.6	-163.9	-126.8	4.8	105.4
450	Q	31.8	Very low	32.2	Very low	158 Å²	158	136.1 Å²	136.1	74%	0.738	74%	0.737	S	S	*	*			cis	70.1	148.6	29.2	-147.2	-171.5	1.6	0	0	113.1
451	I	30.9	Very low	32.2	Very low	141 Å²	141	138.6 Å²	138.6	72%	0.723	74%	0.744	S	S	*	*			trans	74.3	128.4	171.1	-71.1	157	0	0	0	112.8
452	L	33.2	Very low	32.1	Very low	141 Å²	141	138.6 Å²	138.6	74%	0.738	75%	0.753	S	S	*	*			cis	-146.7	154.8	2.6	-101.5	162.9	0	0	0	109.9
453	S	30.2	Very low	32.3	Very low	80 Å²	80	138.2 Å²	138.2	56%	0.559	75%	0.75	S	S	*	*				46.4	141.9	104.5	91.1	0	0	0	0	116
454	D	34.7	Very low	32.4	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	75%	0.753	S	S	*	*			cis	-156.1	173.9	38.1	-85.7	-53.7	0	0	0	110.8
455	A	34.5	Very low	32.5	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	75%	0.754	S	S	*	*			cis	-160.7	-173.2	-18.6	0	0	0	0	0	110.5
456	Q	31.7	Very low	32.6	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	75%	0.753	S	S	*	*			trans	-56.8	160.5	-177.1	-60.8	158.4	8	0	0	113.7
457	V	35.4	Very low	32.5	Very low	127 Å²	127	150.4 Å²	150.4	77%	0.77	75%	0.753	S	S	*	*				-159.6	116.6	65.2	156.8	0	0	0	0	108.5
458	K	32.8	Very low	32.2	Very low	165 Å²	165	146.4 Å²	146.4	72%	0.717	75%	0.748	S	S	*	*				48	113.1	92.9	-89.8	-172	177.9	-179.1	0	115.4
459	D	36.9	Very low	32.1	Very low	156 Å²	156	146 Å²	146	83%	0.834	75%	0.747	S	S	*	*				-152.1	170.2	108.2	-129.6	-30	0	0	0	112.9
460	N	31.9	Very low	31.9	Very low	104 Å²	104	139.6 Å²	139.6	56%	0.556	73%	0.73	S	S	*	*			trans	-118.2	150.2	-164.6	-52.4	-96.3	0	0	0	112.9
461	F	33	Very low	31.6	Very low	218 Å²	218	136.8 Å²	136.8	96%	0.956	73%	0.727	S	S	*	*			trans	-145.6	138.8	130.9	-126.3	-85.1	0	0	0	110.9
462	T	32.7	Very low	31.4	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.663	73%	0.729	S	S	*	*			trans	-129.4	128.4	-163.3	51.2	0	0	0	0	114
463	S	33.4	Very low	31.3	Very low	104 Å²	104	139 Å²	139	73%	0.727	74%	0.735	S	S	*	*			trans	178	141.8	140.3	-83.4	0	0	0	0	110.4
464	R	32.8	Very low	31.1	Very low	224 Å²	224	142.2 Å²	142.2	85%	0.845	75%	0.746	S	S	*	*			cis	-153.3	144.6	-10.7	-104.6	167.8	-162.8	-158.1	2.5	108.6
465	K	30.5	Very low	30.8	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	74%	0.744	S	S	*	*			trans	20.4	133.6	136	-81.5	-178.1	176.5	-177.3	0	118.1
466	I	30.8	Very low	30.4	Very low	139 Å²	139	142.9 Å²	142.9	71%	0.713	74%	0.739	S	S	*	*			cis	-153.5	130.4	24.6	-83.7	126.1	0	0	0	106.7
467	I	27.6	Very low	30.3	Very low	141 Å²	141	141 Å²	141	72%	0.723	74%	0.744	S	S	*	*				73.8	132.6	61.1	-65.5	178.9	0	0	0	115
468	S	26.4	Very low	29.9	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	74%	0.744	S	S	*	*			trans	74.5	148.8	175.4	85.9	0	0	0	0	115.7
469	N	27.6	Very low	29.7	Very low	126 Å²	126	137.5 Å²	137.5	67%	0.674	75%	0.746	S	S	*	*			cis	-145.7	-170.8	-6.8	-131.7	-14.5	0	0	0	112.1
470	L	31.4	Very low	29.3	Very low	107 Å²	107	137.6 Å²	137.6	56%	0.56	75%	0.745	S	S	*	*			trans	-133.1	111.8	174.4	-173.4	138.7	0	0	0	109.3	R2	R2-L470 HydrophobicContact CG-CB 4.26Å; R2-L470 VanDerWaalsContact NE-CB 3.29Å
471	S	26.1	Very low	29.1	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	75%	0.751	S	S	*	*			trans	-166.4	158.9	173.4	51.1	0	0	0	0	110.8
472	D	26.9	Very low	29.1	Very low	143 Å²	143	138 Å²	138	77%	0.765	75%	0.748	S	S	*	*			trans	-55.8	159.2	178.9	-37.9	-82.7	0	0	0	114.1
473	H	29.6	Very low	28.9	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.866	76%	0.757	S	S	*	*			trans	-164	153.6	136.9	-97.6	-57.7	0	0	0	112.3
474	N	26.2	Very low	28.7	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	76%	0.763	S	S	*	*			trans	-84.3	133	-179.5	-52.9	-62.9	0	0	0	111.6
475	I	27.6	Very low	28.5	Very low	150 Å²	150	140.4 Å²	140.4	77%	0.769	76%	0.763	S	S	*	*			trans	-142.7	108.1	160	-58	-179.4	0	0	0	104.1
476	V	26.5	Very low	28.6	Very low	101 Å²	101	138.6 Å²	138.6	61%	0.612	76%	0.762	S	S	*	*				63.5	73.7	54.8	-168.1	0	0	0	0	111.5	D478	V476-D478 VanDerWaalsContact CG1-OD2 3.31Å; V476-D478 WeakPolarHBondContact CG1-OD2 3.17Å; V476-D478 PolarHBondContact O-N 3.49Å
477	C	30	Very low	28.5	Very low	133 Å²	133	136 Å²	136	90%	0.899	77%	0.77	S	S	*	*			trans	-87.5	76.4	167.8	-62.7	0	0	0	0	109.9
478	D	27.7	Very low	28.7	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	78%	0.775	S	S	*	*			trans	-78.4	151.2	161.1	-79.2	-47.7	0	0	0	110.4	V476	V476-D478 VanDerWaalsContact CG1-OD2 3.31Å; V476-D478 WeakPolarHBondContact CG1-OD2 3.17Å; V476-D478 PolarHBondContact O-N 3.49Å
479	G	28	Very low	28.8	Very low	73 Å²	73	136.9 Å²	136.9	75%	0.753	78%	0.783	S	S	*	*			trans	67.2	89.2	156.3	0	0	0	0	0	118.2
480	I	28.6	Very low	28.9	Very low	158 Å²	158	136.5 Å²	136.5	81%	0.81	79%	0.789	S	S	*	*			trans	-98.8	107.3	135.2	-64.3	-179.9	0	0	0	106
481	S	28.2	Very low	28.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	80%	0.798	S	S	*	*			trans	-79.6	124.8	176.7	-172	0	0	0	0	109.7
482	W	31.5	Very low	29.1	Very low	232 Å²	232	139 Å²	139	88%	0.879	81%	0.812	S	S	*	*			trans	-86.5	119.9	156.2	-78.1	94.9	0	0	0	107.6	E484	W482-E484 PolarHBondContact O-N 2.89Å; W482-E484 VanDerWaalsContact O-N 3.16Å
483	Q	29	Very low	29.1	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	81%	0.812	S	S	*	*			trans	-78	95	173.4	-70.7	-179.5	-104.9	0	0	109.5
484	E	30.6	Very low	29.2	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	81%	0.813	S	S	*	*			trans	-72.8	134.4	153.4	-69.9	179.2	142.5	0	0	108.1	W482 D486	W482-E484 PolarHBondContact O-N 2.89Å; W482-E484 VanDerWaalsContact O-N 3.16Å; E484-D486 PolarHBondContact O-N 2.78Å
485	S	28.5	Very low	29.4	Very low	121 Å²	121	133.8 Å²	133.8	85%	0.846	81%	0.81	S	S	*	*			trans	-99.2	70.5	-165.6	58.8	0	0	0	0	112.6
486	D	31	Very low	29.5	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	81%	0.808	S	S	*	*			trans	-93.3	114	173.8	-79.8	-33.1	0	0	0	112	E484 T488	E484-D486 PolarHBondContact O-N 2.78Å; D486-T488 PolarHBondContact O-N 2.95Å
487	G	29.8	Very low	29.7	Very low	85 Å²	85	134 Å²	134	88%	0.876	81%	0.813	S	S	*	*			trans	-91.9	88.1	178.2	0	0	0	0	0	113
488	T	32	Very low	29.8	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	80%	0.802	S	S	*	*			trans	-103.8	110.3	171.8	58.2	0	0	0	0	111.6	D486	D486-T488 PolarHBondContact O-N 2.95Å
489	S	28.1	Very low	30	Very low	125 Å²	125	133 Å²	133	87%	0.874	80%	0.799	S	S	*	*			trans	-95.9	140.3	176.4	-177.2	0	0	0	0	112.2
490	S	30.6	Very low	30.2	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	80%	0.801	S	S	*	*			trans	-160	123.2	168.9	58.8	0	0	0	0	109.7
491	G	29.9	Very low	30.4	Very low	72 Å²	72	132.7 Å²	132.7	74%	0.742	80%	0.799	S	S	*	*			trans	-177.6	6.7	-172.6	0	0	0	0	0	123.4
492	L	29.8	Very low	30.7	Very low	185 Å²	185	130.8 Å²	130.8	97%	0.969	80%	0.796	S	S	*	*			trans	58.6	132.1	160.8	-62.4	168.6	0	0	0	121.5
493	G	27.9	Very low	30.8	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	80%	0.795	S	S	*	*			trans	104.6	138.4	158.4	0	0	0	0	0	115.4
494	Q	31.3	Very low	31	Very low	190 Å²	190	128.4 Å²	128.4	89%	0.888	79%	0.791	S	S	*	*			cis	-151.5	178.3	0.2	-68.3	-174.3	-18.8	0	0	111.1
495	S	30.2	Very low	31	Very low	102 Å²	102	125.1 Å²	125.1	71%	0.713	79%	0.788	S	S	*	*			trans	85.4	94	148.4	-165.7	0	0	0	0	120.9
496	V	29.7	Very low	31.5	Very low	119 Å²	119	124.8 Å²	124.8	72%	0.721	78%	0.784	S	S	*	*			trans	22.1	126.3	133.6	-115.4	0	0	0	0	118.6
497	N	31.9	Very low	31.4	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	79%	0.788	S	S	*	*				-168.1	148.6	78.8	-89.5	-34.3	0	0	0	115.3
498	N	31.9	Very low	31.9	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	78%	0.779	S	S	*	*			trans	59.5	107.3	145.9	-58.2	21	0	0	0	122.5
499	D	30.8	Very low	32.3	Very low	134 Å²	134	125.5 Å²	125.5	72%	0.717	77%	0.773	S	S	*	*				54.5	108.8	115	-42.4	-31.8	0	0	0	121
500	S	33.2	Very low	32.4	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	77%	0.765	S	S	*	*				174.6	153	97	-75.3	0	0	0	0	114
501	S	33.6	Very low	32.4	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	76%	0.763	S	S	*	*			trans	-29.3	148.6	169.6	53.3	0	0	0	0	118.4
502	G	32.6	Very low	32.5	Very low	61 Å²	61	130.2 Å²	130.2	63%	0.629	76%	0.762	S	S	*	*			cis	143	174	1.7	0	0	0	0	0	112.8
503	Y	34.3	Very low	32.5	Very low	218 Å²	218	130.1 Å²	130.1	86%	0.855	75%	0.748	S	S	*	*			trans	66.3	150.5	177.3	-54.2	-78.6	0	0	0	115.5
504	N	33.3	Very low	32.6	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	75%	0.747	S	S	*	*			cis	-144.3	171.3	0.6	-129.1	-21.6	0	0	0	111.4
505	S	31.1	Very low	32.6	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	74%	0.736	S	S	*	*			trans	-105	-153.5	-173.6	-47.9	0	0	0	0	113.3
506	P	38.2	Very low	32.7	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	74%	0.738	S	S	*	*			trans	-109.5	175.4	-134.5	38.7	-22.3	0	0	0	115.2
507	L	29	Very low	32.9	Very low	164 Å²	164	129.7 Å²	129.7	86%	0.859	74%	0.74	S	S	*	*			trans	161.6	149.8	140.5	-88.4	162.6	0	0	0	112.6
508	P	40.7	Very low	33.2	Very low	109 Å²	109	128.6 Å²	128.6	71%	0.708	74%	0.743	S	S	*	*			trans	-91.3	-173.8	156.3	41.5	-34.9	0	0	0	110.2
509	P	40.2	Very low	33.5	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	74%	0.743	S	S	*	*			cis	-139.2	-152.6	10.2	43.5	-22	0	0	0	114.8
510	D	31.2	Very low	33.7	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	75%	0.746	S	S	*	*			trans	83.1	112.9	152.3	-74.9	-4.3	0	0	0	124.1
511	L	29.2	Very low	33.5	Very low	145 Å²	145	129.8 Å²	129.8	76%	0.759	75%	0.746	S	S	*	*				74.3	141.8	126.3	-64.7	171.3	0	0	0	123.2
512	D	31.5	Very low	33.2	Very low	135 Å²	135	129.4 Å²	129.4	72%	0.722	74%	0.743	S	S	*	*			trans	63.8	147.4	158.4	-84.7	6.3	0	0	0	119.7
513	R	31.1	Very low	33	Very low	182 Å²	182	136.2 Å²	136.2	69%	0.687	76%	0.756	S	S	*	*			cis	-176.1	141.1	-14.7	164.1	171.6	176.7	157.4	-1.3	111.1
514	M	30.7	Very low	32.6	Very low	153 Å²	153	130.6 Å²	130.6	75%	0.754	75%	0.748	S	S	*	*			trans	65.3	151.4	166.7	-75.8	167	159.6	0	0	116.3
515	S	29.6	Very low	32.4	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	76%	0.755	S	S	*	*			cis	-161.9	158.5	-0.6	-111.4	0	0	0	0	112
516	S	33	Very low	32.1	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	76%	0.755	S	S	*	*			trans	70.3	144.9	157.2	79.8	0	0	0	0	118.3
517	T	34.9	Very low	31.6	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	76%	0.757	S	S	*	*			cis	-159.2	158.2	-1.3	-6.8	0	0	0	0	113.5
518	S	37	Very low	31.4	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	75%	0.751	S	S	*	*			trans	80.9	149.6	154.2	84.1	0	0	0	0	118.1
519	P	38.3	Very low	30.7	Very low	103 Å²	103	134.2 Å²	134.2	67%	0.669	75%	0.753	S	S	*	*				-142.6	-172.2	-125.7	42.9	-23.5	0	0	0	118.1
520	N	34	Very low	30.1	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	76%	0.759	S	S	*	*			trans	86.1	135.9	168.4	-48.1	-38.7	0	0	0	115
521	N	29.7	Very low	30.3	Very low	147 Å²	147	134.7 Å²	134.7	79%	0.786	76%	0.76	S	S	*	*			cis	-152.9	174.4	4.4	-145.8	-11	0	0	0	113
522	S	27.3	Very low	30.1	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	76%	0.761	S	S	*	*			trans	68.4	98.4	169.3	63.3	0	0	0	0	120.5
523	F	28.2	Very low	29.9	Very low	203 Å²	203	135 Å²	135	89%	0.89	76%	0.762	S	S	*	*			trans	-132.8	127	140.1	-81	-101.9	0	0	0	103.7
524	S	26.2	Very low	29.6	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	77%	0.769	S	S	*	*				64.2	111.5	63.8	78.2	0	0	0	0	114.3
525	E	29.5	Very low	29.4	Very low	199 Å²	199	133.1 Å²	133.1	93%	0.93	77%	0.772	S	S	*	*			trans	-153.5	162.3	152.1	-136.4	165	-140	0	0	111.7
526	T	24.9	Very low	29.2	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	77%	0.774	S	S	*	*			trans	-106.3	158.9	-160.4	-50.7	0	0	0	0	111.4
527	I	27.1	Very low	28.8	Very low	157 Å²	157	138.7 Å²	138.7	81%	0.805	78%	0.779	S	S	*	*			trans	167.7	120	134.1	-87.9	158.4	0	0	0	114.7
528	V	25	Very low	28.5	Very low	120 Å²	120	140.7 Å²	140.7	73%	0.727	77%	0.773	S	S	*	*			trans	58.2	106	140.4	-176.6	0	0	0	0	122.9
529	V	26.3	Very low	28.1	Very low	122 Å²	122	143.7 Å²	143.7	74%	0.739	78%	0.78	S	S	*	*				49	107.1	128.9	-170.6	0	0	0	0	121.4
530	T	27	Very low	27.6	Very low	137 Å²	137	147.9 Å²	147.9	84%	0.84	79%	0.79	S	S	*	*				-171	161.7	111.6	14.3	0	0	0	0	110.8
531	P	35.9	Very low	27.3	Very low	113 Å²	113	146.6 Å²	146.6	73%	0.734	79%	0.793	S	S	*	*			trans	-104.1	146.5	-170.5	37.7	-31.8	0	0	0	114.6
532	D	25.3	Very low	27.3	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	79%	0.793	S	S	*	*				-173.5	157	122.5	-117.9	-20.9	0	0	0	113.9
533	L	26.4	Very low	27.5	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	80%	0.798	S	S	*	*			trans	48.3	161.1	155.9	-92.7	77.8	0	0	0	123.8
534	E	25.1	Very low	27.6	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	80%	0.795	S	S	*	*			trans	57.5	97	162.9	-69.8	-174.6	-167.2	0	0	120.4
535	S	26.4	Very low	27.8	Very low	115 Å²	115	144 Å²	144	80%	0.804	80%	0.797	S	S	*	*				-167.2	113.4	116.6	28.2	0	0	0	0	113.3
536	S	24.9	Very low	27.7	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	79%	0.788	S	S	*	*			trans	-72.9	150.5	146.2	58.3	0	0	0	0	109.2
537	Y	26.2	Very low	28.1	Very low	221 Å²	221	139.4 Å²	139.4	87%	0.867	79%	0.786	S	S	*	*			trans	-161.6	138.6	138.9	-96.5	-60.3	0	0	0	113.2
538	Y	27.1	Very low	28.3	Very low	165 Å²	165	138.7 Å²	138.7	65%	0.647	78%	0.784	S	S	*	*			trans	-100.4	140.8	148.3	-76.8	-105.1	0	0	0	107.1	R621	Y538-R621 PolarHBondContact OH-NH1 2.92Å; Y538-R621 PolarHBondContact OH-NH2 2.81Å
539	L	29.4	Very low	28.8	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	78%	0.778	S	S	*	*				-172.1	151.1	123.2	-124.8	69.5	0	0	0	109.9
540	E	27	Very low	29	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	78%	0.781	S	S	*	*			trans	-132	157.3	167	-164.8	168.4	-144.8	0	0	109.4
541	S	28.2	Very low	29.4	Very low	120 Å²	120	142.5 Å²	142.5	84%	0.839	78%	0.775	S	S	*	*			trans	-78.8	150.7	-150.6	-55.9	0	0	0	0	116.9
542	A	30.8	Very low	29.2	Very low	94 Å²	94	144.4 Å²	144.4	78%	0.777	78%	0.776	S	S	*	*			trans	-151.8	113.6	159.7	0	0	0	0	0	114.1
543	V	30.5	Very low	29.5	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	78%	0.777	S	S	*	*			trans	64.5	98	144.6	-170.1	0	0	0	0	120.2
544	Q	29.4	Very low	29.9	Very low	177 Å²	177	151.4 Å²	151.4	83%	0.827	79%	0.787	S	S	*	*				48.3	113.7	119.8	-152.3	75	-3.5	0	0	121.5
545	A	31.4	Very low	30.2	Very low	89 Å²	89	152.7 Å²	152.7	74%	0.736	79%	0.789	S	S	*	*				-178.9	118.9	119.2	0	0	0	0	0	115
546	C	28.3	Very low	30.6	Very low	111 Å²	111	153.2 Å²	153.2	75%	0.75	79%	0.79	S	S	*	*			trans	52.8	131.8	143.2	-60.1	0	0	0	0	124.6
547	T	32.6	Very low	31	Very low	118 Å²	118	154 Å²	154	72%	0.724	80%	0.796	S	S	*	*			trans	71.3	90.5	140.9	50.9	0	0	0	0	121.6
548	D	31.6	Very low	31.1	Very low	142 Å²	142	150.8 Å²	150.8	76%	0.759	79%	0.794	S	S	*	*				85.4	139.2	108.2	-74.2	9.1	0	0	0	124.8
549	N	33.9	Very low	31.5	Very low	114 Å²	114	151 Å²	151	61%	0.61	80%	0.804	S	S	*	*			trans	83.5	83.5	149	-71.8	-43.8	0	0	0	122.2
550	R	32.5	Very low	31.6	Very low	209 Å²	209	147.3 Å²	147.3	79%	0.789	79%	0.793	S	S	*	*				67.4	119.4	108.9	-74.6	178.7	-171.3	-179.7	1.8	120.5
551	N	33.4	Very low	32	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	79%	0.787	S	S	*	*				121.7	142.2	112.4	-86.2	-14.1	0	0	0	120.6
552	M	32.9	Very low	32.3	Very low	153 Å²	153	143.1 Å²	143.1	75%	0.754	78%	0.777	S	S	*	*			trans	62.6	118.9	165.5	-60.3	-62.5	166.5	0	0	117.5
553	K	31.1	Very low	32.5	Very low	186 Å²	186	148.1 Å²	148.1	81%	0.809	78%	0.781	S	S	*	*			cis	74.5	104.5	45.5	-69.5	-169.3	170.4	-178.6	0	116.3
554	R	34.2	Very low	32.6	Very low	250 Å²	250	146.7 Å²	146.7	94%	0.943	78%	0.777	S	S	*	*			trans	176.9	111.4	131.3	-91.2	150.6	-168.3	-150.5	3.4	108
555	K	31.9	Very low	32.8	Very low	205 Å²	205	144.2 Å²	144.2	89%	0.891	77%	0.769	S	S	*	*				76.7	116.9	80.8	-117	-161.5	178.1	-161	0	114.6
556	P	35	Very low	32.7	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	77%	0.773	S	S	*	*			trans	-102.7	176.6	176.3	40.8	-35.3	0	0	0	113.6
557	S	33.1	Very low	32.7	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	77%	0.773	S	S	*	*			trans	-160.8	151.5	163.2	55.2	0	0	0	0	112.3
558	D	29.6	Very low	32.6	Very low	154 Å²	154	150.1 Å²	150.1	82%	0.824	78%	0.78	S	S	*	*			trans	-84	174.7	-162.2	-43.6	-92.8	0	0	0	116.5
559	I	34.9	Very low	32.4	Very low	170 Å²	170	148 Å²	148	87%	0.872	78%	0.775	S	S	*	*				-174.3	153.6	122.9	-94.1	155.9	0	0	0	111.7
560	S	31.4	Very low	32.4	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	78%	0.781	S	S	*	*			trans	-83.7	-178.7	-179.1	46.9	0	0	0	0	112.7
561	V	34.9	Very low	32.3	Very low	125 Å²	125	145.7 Å²	145.7	76%	0.758	78%	0.784	S	S	*	*			cis	-159.4	153	41.7	179.1	0	0	0	0	110
562	P	35.2	Very low	31.9	Very low	97 Å²	97	150.8 Å²	150.8	63%	0.63	79%	0.793	S	S	*	*			trans	-108.5	164.9	-176.2	40.5	-34.2	0	0	0	115.9
563	F	34.5	Very low	31.9	Very low	200 Å²	200	151.1 Å²	151.1	88%	0.877	80%	0.797	S	S	*	*			trans	-158	145.9	160.1	-104.8	-69	0	0	0	115.2
564	S	33.9	Very low	31.7	Very low	106 Å²	106	149 Å²	149	74%	0.741	80%	0.8	S	S	*	*			trans	64.3	139.8	150.5	-59.8	0	0	0	0	123.8
565	I	31.6	Very low	31.7	Very low	126 Å²	126	141 Å²	141	65%	0.646	79%	0.786	S	S	*	*			trans	-108.6	171.7	170.5	-26.9	177.3	0	0	0	108.7
566	P	30.7	Very low	31.5	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	79%	0.786	S	S	*	*				-144.6	178.4	100.9	38	-22	0	0	0	115.8
567	I	27	Very low	31.4	Very low	145 Å²	145	140.1 Å²	140.1	74%	0.744	78%	0.779	S	S	*	*			trans	-93	142.6	-164.1	-63.1	157	0	0	0	112.8
568	I	32.2	Very low	31.4	Very low	169 Å²	169	143 Å²	143	87%	0.867	78%	0.779	S	S	*	*			trans	-132.9	136.6	152.8	-60.4	-178.1	0	0	0	109.9
569	S	27	Very low	31.6	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	77%	0.771	S	S	*	*			trans	-127.8	166.9	165	-70.8	0	0	0	0	106.7
570	P	32.7	Very low	31.6	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	76%	0.756	S	S	*	*			cis	-143.3	-161.3	22.9	34.2	-8.9	0	0	0	114.3
571	L	30.2	Very low	31.8	Very low	164 Å²	164	141.8 Å²	141.8	86%	0.859	76%	0.76	S	S	*	*			trans	136.2	153.4	140.7	-77.7	160.6	0	0	0	115.3
572	R	26.5	Very low	32	Very low	243 Å²	243	142 Å²	142	92%	0.917	76%	0.757	S	S	*	*			trans	-84.2	132.8	-173.5	-59.7	170.7	179	156.8	-2.6	110.8
573	I	32.6	Very low	32.1	Very low	160 Å²	160	140.3 Å²	140.3	82%	0.821	75%	0.745	S	S	*	*			trans	-130.8	125	156	-61.3	-178.3	0	0	0	108.1
574	T	26	Very low	32.2	Very low	142 Å²	142	138.8 Å²	138.8	87%	0.871	74%	0.741	S	S	*	*			trans	-76.6	121.8	172.1	45.7	0	0	0	0	109.8
575	A	34.4	Very low	32.6	Very low	80 Å²	80	137 Å²	137	66%	0.661	73%	0.726	S	S	*	*			trans	-133.2	79.5	-173.6	0	0	0	0	0	113.1	N577	A575-N577 PolarHBondContact O-N 3.1Å
576	E	28.4	Very low	32.9	Very low	190 Å²	190	134.7 Å²	134.7	89%	0.888	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	93.1	160.6	-60	179.2	137.8	0	0	109.3
577	N	33	Very low	33.2	Very low	124 Å²	124	134.3 Å²	134.3	66%	0.663	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.2	-13.8	164.5	-107	-53	0	0	0	118.9	A575 I579 T580	A575-N577 PolarHBondContact O-N 3.1Å; N577-I579 PolarHBondContact O-N 2.96Å; N577-T580 PolarHBondContact O-N 2.68Å; N577-T580 PolarHBondContact O-OG1 2.66Å
578	E	32.4	Very low	33.8	Very low	176 Å²	176	129.4 Å²	129.4	82%	0.822	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-64.3	-18.5	-166.4	-66.9	-152.3	117.9	0	0	116.4	T580	E578-T580 PolarHBondContact O-N 2.94Å
579	I	34.4	Very low	33.9	Very low	127 Å²	127	129.3 Å²	129.3	65%	0.651	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-61.8	-18.4	-178.7	-63.6	174.8	0	0	0	112.8	N577 L637	N577-I579 PolarHBondContact O-N 2.96Å; I579-L637 HydrophobicContact CG2-CD2 3.77Å
580	T	34.3	Very low	34.4	Very low	89 Å²	89	128.6 Å²	128.6	55%	0.546	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-80.8	-21.3	-170.6	52.7	0	0	0	0	115.9	N577 E578	N577-T580 PolarHBondContact O-N 2.68Å; N577-T580 PolarHBondContact O-OG1 2.66Å; E578-T580 PolarHBondContact O-N 2.94Å
581	K	36.4	Very low	34.7	Very low	179 Å²	179	128.3 Å²	128.3	78%	0.778	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-15.7	-169	-70.6	-177.8	179	174.9	0	116
582	N	38.7	Very low	35.2	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	1.6	-175.2	-67.7	-14.1	0	0	0	114.4
583	V	37.8	Very low	35.8	Very low	61 Å²	61	121.4 Å²	121.4	37%	0.37	63%	0.631	S	S	.	*	S	Bend	trans	-91.4	-36.9	-166.7	-176.8	0	0	0	0	113.6	I586 L637	V583-I586 PolarHBondContact O-N 3.39Å; V583-L637 HydrophobicContact CG2-CD1 4.32Å
584	E	36.7	Very low	36.1	Very low	168 Å²	168	117.8 Å²	117.8	79%	0.785	62%	0.616	S	S	*	*	H	α-helix	trans	-61.1	-40.2	-176	-60.6	-164.7	126.6	0	0	114.7	I586 L587 G588	E584-I586 PolarHBondContact O-N 3.22Å; E584-I586 VanDerWaalsContact O-N 3.13Å; E584-L587 PolarHBondContact O-N 2.91Å; E584-G588 PolarHBondContact O-N 2.99Å; E584-G588 VanDerWaalsContact O-N 3.13Å
585	P	41.9	Very low	36.7	Very low	68 Å²	68	117.5 Å²	117.5	44%	0.442	60%	0.603	S	S	.	*	H	α-helix	trans	-64.2	-18.8	179.7	-23.2	34.9	0	0	0	114.7	R589	P585-R589 WeakPolarHBondContact O-CG 3.46Å; P585-R589 PolarHBondContact O-NE 3.5Å; P585-R589 VanDerWaalsContact O-NE 3.16Å
586	I	36.8	Very low	36.8	Very low	78 Å²	78	118 Å²	118	40%	0.4	60%	0.601	S	S	.	*	H	α-helix	trans	-87.3	-47.8	-176.6	-57.4	175	0	0	0	110	V583 E584 G588 R589 L590	V583-I586 PolarHBondContact O-N 3.39Å; E584-I586 PolarHBondContact O-N 3.22Å; E584-I586 VanDerWaalsContact O-N 3.13Å; I586-G588 VanDerWaalsContact C-N 3.27Å; I586-G588 PolarHBondContact O-N 2.57Å; I586-R589 PolarHBondContact O-N 3.46Å; I586-L590 HydrophobicContact CG2-CD1 4.44Å; I586-L590 PolarHBondContact O-N 3.14Å
587	L	37.9	Very low	37.2	Very low	119 Å²	119	113 Å²	113	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-64.7	-34.1	176.5	-172.2	63	0	0	0	111.5	E584 M591	E584-L587 PolarHBondContact O-N 2.91Å; L587-M591 HydrophobicContact CD1-CG 4.45Å; L587-M591 WeakPolarHBondContact O-CB 3.22Å; L587-M591 VanDerWaalsContact O-CG 3.27Å; L587-M591 WeakPolarHBondContact O-CG 3.42Å; L587-M591 PolarHBondContact O-N 3Å; L587-M591 VanDerWaalsContact O-N 3.15Å
588	G	39	Very low	37.4	Very low	42 Å²	42	110.4 Å²	110.4	43%	0.433	58%	0.578	S	S	.	*	H	α-helix	trans	-58.9	-49.6	173.8	0	0	0	0	0	113.4	E584 I586 M591 H592	E584-G588 PolarHBondContact O-N 2.99Å; E584-G588 VanDerWaalsContact O-N 3.13Å; I586-G588 VanDerWaalsContact C-N 3.27Å; I586-G588 PolarHBondContact O-N 2.57Å; G588-M591 PolarHBondContact O-N 3.41Å; G588-H592 WeakPolarHBondContact O-CB 3.21Å; G588-H592 PolarHBondContact O-N 3.33Å
589	R	35.7	Very low	37.5	Very low	168 Å²	168	108 Å²	108	63%	0.634	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-51.2	-178.7	-68.4	172.8	-148.8	-140.1	2.6	112.1	P585 I586 M591 H592 E593	P585-R589 WeakPolarHBondContact O-CG 3.46Å; P585-R589 PolarHBondContact O-NE 3.5Å; P585-R589 VanDerWaalsContact O-NE 3.16Å; I586-R589 PolarHBondContact O-N 3.46Å; R589-M591 PolarHBondContact O-N 2.9Å; R589-H592 PolarHBondContact O-N 3.14Å; R589-E593 WeakPolarHBondContact O-CG 3.25Å; R589-E593 PolarHBondContact O-N 3.4Å
590	L	37.5	Very low	37.6	Very low	81 Å²	81	110.4 Å²	110.4	42%	0.424	58%	0.584	S	S	.	*	H	α-helix	trans	-57.6	-32.3	177.2	-80.5	162.4	0	0	0	113.1	I586 T594	I586-L590 HydrophobicContact CG2-CD1 4.44Å; I586-L590 PolarHBondContact O-N 3.14Å; L590-T594 PolarHBondContact O-N 2.84Å; L590-T594 PolarHBondContact O-OG1 3.31Å
591	M	38.1	Very low	37.5	Very low	105 Å²	105	115.3 Å²	115.3	52%	0.517	60%	0.598	S	S	.	*	H	α-helix	trans	-82.7	-26.4	175.8	-71.3	-92.6	60.8	0	0	113.8	L587 G588 R589 T594 K595	L587-M591 HydrophobicContact CD1-CG 4.45Å; L587-M591 WeakPolarHBondContact O-CB 3.22Å; L587-M591 VanDerWaalsContact O-CG 3.27Å; L587-M591 WeakPolarHBondContact O-CG 3.42Å; L587-M591 PolarHBondContact O-N 3Å; L587-M591 VanDerWaalsContact O-N 3.15Å; G588-M591 PolarHBondContact O-N 3.41Å; R589-M591 PolarHBondContact O-N 2.9Å; M591-T594 WeakPolarHBondContact CA-OG1 3.4Å; M591-T594 WeakPolarHBondContact CE-OG1 3.33Å; M591-T594 PolarHBondContact O-OG1 3.42Å; M591-K595 WeakPolarHBondContact O-CG 3.48Å; M591-K595 PolarHBondContact O-N 3.44Å
592	H	40.5	Very low	37.3	Very low	129 Å²	129	114.8 Å²	114.8	60%	0.597	60%	0.604	S	S	*	*	H	α-helix	trans	-73.8	-47.4	174.6	-157	-76.9	0	0	0	110.9	G588 R589 T594 K595 C596	G588-H592 WeakPolarHBondContact O-CB 3.21Å; G588-H592 PolarHBondContact O-N 3.33Å; R589-H592 PolarHBondContact O-N 3.14Å; H592-T594 VanDerWaalsContact C-N 3.27Å; H592-T594 PolarHBondContact O-N 2.89Å; H592-K595 PolarHBondContact O-N 2.83Å; H592-K595 VanDerWaalsContact O-N 3.07Å; H592-C596 VanDerWaalsContact CE1-SG 3.59Å; H592-C596 PolarHBondContact ND1-SG 3.42Å; H592-C596 VanDerWaalsContact ND1-SG 3.38Å; H592-C596 PolarHBondContact O-N 3.45Å; H592-C596 PolarHBondContact O-SG 3.43Å; H592-C596 VanDerWaalsContact O-SG 3.38Å
593	E	38.9	Very low	37	Very low	132 Å²	132	114.1 Å²	114.1	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-60.9	-33.5	178.3	-70	168.4	-163.2	0	0	112.7	R589	R589-E593 WeakPolarHBondContact O-CG 3.25Å; R589-E593 PolarHBondContact O-N 3.4Å
594	T	40.2	Very low	36.7	Very low	84 Å²	84	119 Å²	119	52%	0.515	63%	0.629	S	S	.	*	H	α-helix	trans	-77.9	-26.6	174.6	42.6	0	0	0	0	113.9	L590 M591 H592	L590-T594 PolarHBondContact O-N 2.84Å; L590-T594 PolarHBondContact O-OG1 3.31Å; M591-T594 WeakPolarHBondContact CA-OG1 3.4Å; M591-T594 WeakPolarHBondContact CE-OG1 3.33Å; M591-T594 PolarHBondContact O-OG1 3.42Å; H592-T594 VanDerWaalsContact C-N 3.27Å; H592-T594 PolarHBondContact O-N 2.89Å
595	K	38.4	Very low	36.7	Very low	137 Å²	137	116.4 Å²	116.4	60%	0.596	63%	0.625	S	S	*	*	H	α-helix	trans	-76.4	-40.8	172.3	-80.5	-177.5	173.2	-174	0	113.1	M591 H592 S597 S598	M591-K595 WeakPolarHBondContact O-CG 3.48Å; M591-K595 PolarHBondContact O-N 3.44Å; H592-K595 PolarHBondContact O-N 2.83Å; H592-K595 VanDerWaalsContact O-N 3.07Å; K595-S597 PolarHBondContact O-N 3.22Å; K595-S598 PolarHBondContact O-N 3.09Å; K595-S598 PolarHBondContact O-OG 3.45Å
596	C	36.3	Very low	36.2	Very low	91 Å²	91	118.7 Å²	118.7	62%	0.615	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-13.1	175.8	-66	0	0	0	0	113.5	H592	H592-C596 VanDerWaalsContact CE1-SG 3.59Å; H592-C596 PolarHBondContact ND1-SG 3.42Å; H592-C596 VanDerWaalsContact ND1-SG 3.38Å; H592-C596 PolarHBondContact O-N 3.45Å; H592-C596 PolarHBondContact O-SG 3.43Å; H592-C596 VanDerWaalsContact O-SG 3.38Å
597	S	36.8	Very low	35.9	Very low	85 Å²	85	121.8 Å²	121.8	59%	0.594	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-0.1	175.7	-144.2	0	0	0	0	114.7	K595	K595-S597 PolarHBondContact O-N 3.22Å
598	S	36.5	Very low	35.6	Very low	69 Å²	69	127.1 Å²	127.1	48%	0.483	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	-22.1	-178.9	52.3	0	0	0	0	115.8	K595	K595-S598 PolarHBondContact O-N 3.09Å; K595-S598 PolarHBondContact O-OG 3.45Å
599	D	36	Very low	35.1	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	68%	0.683	S	S	*	*			trans	-95.5	-0.7	-154.7	-62.6	-2.5	0	0	0	114.9	K601	D599-K601 PolarHBondContact O-N 2.86Å
600	L	34.8	Very low	34.8	Very low	178 Å²	178	131.8 Å²	131.8	93%	0.932	69%	0.688	S	S	*	*			trans	-89.4	62.7	175.3	-107.5	76.4	0	0	0	113.3
601	K	33.3	Very low	34.3	Very low	192 Å²	192	134 Å²	134	84%	0.835	70%	0.7	S	S	*	*			trans	-144.3	88.5	167.9	-74.6	-163.2	177	-174.4	0	113.9	D599	D599-K601 PolarHBondContact O-N 2.86Å
602	N	32.3	Very low	33.8	Very low	168 Å²	168	137.9 Å²	137.9	90%	0.898	72%	0.717	S	S	*	*			trans	-148.9	111.6	157.3	-117.9	-11.1	0	0	0	109.7
603	P	31.2	Very low	33.2	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	73%	0.731	S	S	*	*			trans	-97.8	133.5	179.3	34.7	-29.8	0	0	0	112
604	L	33.1	Very low	32.7	Very low	163 Å²	163	138 Å²	138	85%	0.853	74%	0.742	S	S	*	*			trans	-169.2	158.1	156	-108.1	163	0	0	0	112.2
605	T	34.7	Very low	32.2	Very low	115 Å²	115	139 Å²	139	71%	0.706	76%	0.759	S	S	*	*			trans	60.8	91	162.8	42	0	0	0	0	120.7
606	T	32.3	Very low	31.7	Very low	116 Å²	116	137.6 Å²	137.6	71%	0.712	77%	0.766	S	S	*	*				63.6	115.2	125	49.6	0	0	0	0	122.9
607	N	30	Very low	31.5	Very low	143 Å²	143	136.5 Å²	136.5	77%	0.765	77%	0.77	S	S	*	*				48.3	113.6	128	-53.2	-1.5	0	0	0	120.2
608	Y	31.8	Very low	31.3	Very low	230 Å²	230	140.9 Å²	140.9	90%	0.902	78%	0.78	S	S	*	*				-163.3	164.1	104.1	-114.9	-86	0	0	0	110.5
609	L	28.7	Very low	30.9	Very low	137 Å²	137	143.4 Å²	143.4	72%	0.717	80%	0.797	S	S	*	*			trans	-81.2	149.4	178.1	-64.5	69.6	0	0	0	109.5
610	F	29.2	Very low	31	Very low	172 Å²	172	146.3 Å²	146.3	75%	0.754	80%	0.798	S	S	*	*				-174.4	144.6	68.5	-133.2	-94.5	0	0	0	111.4
611	N	26.3	Very low	31.1	Very low	126 Å²	126	145.5 Å²	145.5	67%	0.674	78%	0.783	S	S	*	*			trans	31.6	150.9	157.1	-65.5	0.2	0	0	0	125
612	Q	27.6	Very low	31.3	Very low	187 Å²	187	139.6 Å²	139.6	87%	0.874	76%	0.756	S	S	*	*			trans	64.5	99.2	163.8	-65.9	-178.7	18.2	0	0	118
613	S	28.7	Very low	31.8	Very low	128 Å²	128	133.6 Å²	133.6	90%	0.895	72%	0.723	S	S	*	*			trans	-157.9	149.7	149.9	-82.5	0	0	0	0	110.1
614	T	27.7	Very low	32.4	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	69%	0.694	S	S	*	*			trans	-75.7	147	-172.4	46	0	0	0	0	112.9	S616	T614-S616 PolarHBondContact O-N 3.15Å
615	A	29.5	Very low	33.1	Very low	105 Å²	105	123.1 Å²	123.1	87%	0.868	66%	0.662	S	S	*	*			trans	-76.8	90	177.1	0	0	0	0	0	110.7	G617	A615-G617 PolarHBondContact O-N 3.43Å
616	S	29.1	Very low	33.5	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	65%	0.649	S	S	*	*			trans	-66.4	92.5	175.6	51.9	0	0	0	0	111.3	T614 H618	T614-S616 PolarHBondContact O-N 3.15Å; S616-H618 PolarHBondContact O-N 3.21Å; S616-H618 VanDerWaalsContact O-N 3.11Å
617	G	31.1	Very low	34.5	Very low	67 Å²	67	119.2 Å²	119.2	69%	0.691	63%	0.626	S	S	*	*			trans	-59.1	114.5	-179.6	0	0	0	0	0	111.5	A615 C619	A615-G617 PolarHBondContact O-N 3.43Å; G617-C619 VanDerWaalsContact C-N 3.32Å; G617-C619 PolarHBondContact O-N 3.27Å
618	H	33.7	Very low	35.4	Very low	177 Å²	177	114 Å²	114	82%	0.819	60%	0.602	S	S	*	*			trans	-61.6	91.5	171.9	-101.1	44.9	0	0	0	110.4	S616 R620	S616-H618 PolarHBondContact O-N 3.21Å; S616-H618 VanDerWaalsContact O-N 3.11Å; H618-R620 VanDerWaalsContact C-N 3.31Å; H618-R620 PolarHBondContact O-N 2.9Å
619	C	28.9	Very low	36.4	Very low	123 Å²	123	104.2 Å²	104.2	83%	0.831	56%	0.564	S	S	*	*			trans	-68.6	87.8	176.5	-170.4	0	0	0	0	109.7	G617 R621	G617-C619 VanDerWaalsContact C-N 3.32Å; G617-C619 PolarHBondContact O-N 3.27Å; C619-R621 PolarHBondContact O-N 3.31Å
620	R	38.1	Very low	37.5	Very low	185 Å²	185	99.6 Å²	99.6	70%	0.698	54%	0.54	S	S	*	.			trans	-67.9	100.1	167.9	-77.5	-171.5	173.8	-128.9	-3	108.1	H618 R622	H618-R620 VanDerWaalsContact C-N 3.31Å; H618-R620 PolarHBondContact O-N 2.9Å; R620-R622 PolarHBondContact O-N 3.27Å
621	R	36.2	Very low	38.8	Very low	162 Å²	162	95.6 Å²	95.6	61%	0.611	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-47.3	127.5	176	-166.4	173.8	-167.3	147.7	6.8	110.5	Y538 C619	Y538-R621 PolarHBondContact OH-NH1 2.92Å; Y538-R621 PolarHBondContact OH-NH2 2.81Å; C619-R621 PolarHBondContact O-N 3.31Å
622	R	36.7	Very low	39.9	Very low	68 Å²	68	90.6 Å²	90.6	26%	0.257	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-66.6	139.8	177.3	-174.5	178.1	175	159.9	-4.7	109.5	F245 D247 R620 T624	F245-R622 PolarHBondContact O-NH2 3.45Å; D247-R622 VanDerWaalsContact OD1-CA 3.29Å; D247-R622 WeakPolarHBondContact OD1-CA 3.49Å; D247-R622 WeakPolarHBondContact OD1-CG 3.36Å; R620-R622 PolarHBondContact O-N 3.27Å; R622-T624 PolarHBondContact O-N 2.94Å
623	L	43.9	Very low	41.1	Very low	41 Å²	41	84.1 Å²	84.1	22%	0.215	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.3	118.4	176.4	-159.8	79.5	0	0	0	110.1	H244 D247 D627 I631	H244-L623 HydrophobicContact CB-CD2 4.09Å; D247-L623 PolarHBondContact OD1-N 3.47Å; L623-D627 HydrophobicContact CD1-CB 3.65Å; L623-D627 HydrophobicContact CG-CB 3.94Å; L623-I631 HydrophobicContact CD1-CD1 4.37Å; L623-I631 HydrophobicContact CD2-CD1 4.45Å
624	T	43.4	Very low	42.3	Very low	24 Å²	24	80.7 Å²	80.7	15%	0.147	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-90.1	168.6	-177.5	67.7	0	0	0	0	112.4	R622 Y626 D627 A628	R622-T624 PolarHBondContact O-N 2.94Å; T624-Y626 PolarHBondContact O-N 2.95Å; T624-Y626 PolarHBondContact OG1-N 3.15Å; T624-D627 WeakPolarHBondContact CB-OD2 3.49Å; T624-D627 PolarHBondContact N-OD2 2.79Å; T624-D627 PolarHBondContact O-N 3.06Å; T624-D627 PolarHBondContact OG1-N 2.61Å; T624-D627 PolarHBondContact OG1-OD2 2.61Å; T624-A628 PolarHBondContact O-N 3.3Å
625	N	46.6	Very low	43.4	Very low	35 Å²	35	75.9 Å²	75.9	19%	0.187	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-30.6	169.5	-81.2	-27.9	0	0	0	112.3	V184 A628 R629	V184-N625 WeakPolarHBondContact CG1-ND2 3.43Å; V184-N625 PolarHBondContact O-ND2 3.48Å; N625-A628 PolarHBondContact O-N 2.89Å; N625-R629 WeakPolarHBondContact O-CB 3.32Å; N625-R629 PolarHBondContact O-N 3.47Å
626	Y	44.6	Very low	44.3	Very low	108 Å²	108	76.8 Å²	76.8	42%	0.424	41%	0.412	S	S	.	.	H	α-helix	trans	-65.2	-43.9	172	176.8	-101	0	0	0	111.7	T624 A628 R629 L630	T624-Y626 PolarHBondContact O-N 2.95Å; T624-Y626 PolarHBondContact OG1-N 3.15Å; Y626-A628 PolarHBondContact O-N 3.44Å; Y626-R629 WeakPolarHBondContact O-CB 3.33Å; Y626-R629 PolarHBondContact O-N 3.24Å; Y626-L630 HydrophobicContact CD1-CD1 4.04Å; Y626-L630 HydrophobicContact CD1-CG 4.45Å; Y626-L630 HydrophobicContact CE1-CD1 3.47Å; Y626-L630 VanDerWaalsContact CE1-CD1 3.47Å; Y626-L630 HydrophobicContact CE1-CG 4.07Å; Y626-L630 PolarHBondContact O-N 2.78Å
627	D	51.8	Low	44.9	Very low	42 Å²	42	76.2 Å²	76.2	23%	0.225	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-41.1	174.4	-56.6	-53.8	0	0	0	111.6	L623 T624 R629 L630 I631	L623-D627 HydrophobicContact CD1-CB 3.65Å; L623-D627 HydrophobicContact CG-CB 3.94Å; T624-D627 WeakPolarHBondContact CB-OD2 3.49Å; T624-D627 PolarHBondContact N-OD2 2.79Å; T624-D627 PolarHBondContact O-N 3.06Å; T624-D627 PolarHBondContact OG1-N 2.61Å; T624-D627 PolarHBondContact OG1-OD2 2.61Å; D627-R629 VanDerWaalsContact C-N 3.27Å; D627-R629 PolarHBondContact O-N 3.48Å; D627-L630 PolarHBondContact O-N 2.89Å; D627-I631 WeakPolarHBondContact O-CB 3.41Å; D627-I631 WeakPolarHBondContact O-CD1 3.47Å; D627-I631 VanDerWaalsContact O-CG1 3.23Å; D627-I631 WeakPolarHBondContact O-CG1 3.26Å; D627-I631 PolarHBondContact O-N 2.99Å
628	A	50.6	Low	45.3	Very low	33 Å²	33	77 Å²	77	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-36.5	175	0	0	0	0	0	112.1	T624 N625 Y626 A632	T624-A628 PolarHBondContact O-N 3.3Å; N625-A628 PolarHBondContact O-N 2.89Å; Y626-A628 PolarHBondContact O-N 3.44Å; A628-A632 PolarHBondContact O-N 3.18Å; A628-A632 VanDerWaalsContact O-N 3.16Å
629	R	51.4	Low	45.3	Very low	24 Å²	24	74 Å²	74	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-70.4	-45.2	173.5	175.9	172.6	165.7	-136.6	-25.4	112.6	H168 E171 Y186 N625 Y626 D627 I631 A632 E633	H168-R629 PolarHBondContact CD2-NH1 3.29Å; H168-R629 PolarHBondContact CD2-NH2 3.35Å; H168-R629 VanDerWaalsContact CD2-NH2 3.34Å; H168-R629 PolarHBondContact CE1-NH1 3.42Å; H168-R629 VanDerWaalsContact CE1-NH1 3.29Å; H168-R629 PolarHBondContact ND1-NH1 3.2Å; H168-R629 PolarHBondContact NE2-NH1 3.36Å; E171-R629 IonicContact OE2-NH1 3.22Å; E171-R629 PolarHBondContact OE2-NH1 2.94Å; Y186-R629 HydrophobicContact CD2-CB 4.13Å; Y186-R629 HydrophobicContact CD2-CG 4.47Å; Y186-R629 HydrophobicContact CE2-CB 3.78Å; Y186-R629 HydrophobicContact CE2-CG 3.68Å; N625-R629 WeakPolarHBondContact O-CB 3.32Å; N625-R629 PolarHBondContact O-N 3.47Å; Y626-R629 WeakPolarHBondContact O-CB 3.33Å; Y626-R629 PolarHBondContact O-N 3.24Å; D627-R629 VanDerWaalsContact C-N 3.27Å; D627-R629 PolarHBondContact O-N 3.48Å; R629-I631 PolarHBondContact O-N 3.03Å; R629-A632 CarbonylContact O-C 3.53Å; R629-A632 WeakPolarHBondContact O-CA 3.49Å; R629-A632 WeakPolarHBondContact O-CB 3.39Å; R629-A632 PolarHBondContact O-N 2.98Å; R629-E633 HydrophobicContact CG-CG 4.21Å; R629-E633 IonicContact CZ-OE1 2.69Å; R629-E633 VanDerWaalsContact CZ-OE1 3.22Å; R629-E633 IonicContact NE-OE1 2.78Å; R629-E633 PolarHBondContact NE-OE1 2.94Å; R629-E633 IonicContact NE-OE2 2.71Å; R629-E633 IonicContact NH2-OE1 3.64Å; R629-E633 PolarHBondContact NH2-OE1 3.44Å; R629-E633 IonicContact NH2-OE2 3.27Å; R629-E633 PolarHBondContact O-N 3.43Å
630	L	51.5	Low	45.4	Very low	40 Å²	40	75.1 Å²	75.1	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-57.3	-39.1	174.4	-73.7	179.8	0	0	0	111.6	Y626 D627 A632 A634	Y626-L630 HydrophobicContact CD1-CD1 4.04Å; Y626-L630 HydrophobicContact CD1-CG 4.45Å; Y626-L630 HydrophobicContact CE1-CD1 3.47Å; Y626-L630 VanDerWaalsContact CE1-CD1 3.47Å; Y626-L630 HydrophobicContact CE1-CG 4.07Å; Y626-L630 PolarHBondContact O-N 2.78Å; D627-L630 PolarHBondContact O-N 2.89Å; L630-A632 VanDerWaalsContact C-N 3.31Å; L630-A632 PolarHBondContact O-N 3.02Å; L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 2.81Å
631	I	56.9	Low	45.3	Very low	88 Å²	88	71.7 Å²	71.7	45%	0.451	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-33.5	174.3	-69.5	164	0	0	0	112	L623 D627 R629 S635	L623-I631 HydrophobicContact CD1-CD1 4.37Å; L623-I631 HydrophobicContact CD2-CD1 4.45Å; D627-I631 WeakPolarHBondContact O-CB 3.41Å; D627-I631 WeakPolarHBondContact O-CD1 3.47Å; D627-I631 VanDerWaalsContact O-CG1 3.23Å; D627-I631 WeakPolarHBondContact O-CG1 3.26Å; D627-I631 PolarHBondContact O-N 2.99Å; R629-I631 PolarHBondContact O-N 3.03Å; I631-S635 WeakPolarHBondContact O-CB 3.3Å; I631-S635 PolarHBondContact O-N 2.88Å; I631-S635 PolarHBondContact O-OG 3.2Å
632	A	50.6	Low	45.2	Very low	21 Å²	21	73.2 Å²	73.2	17%	0.174	41%	0.406	C	S	.	.	H	α-helix	trans	-75.2	-49.2	176.4	0	0	0	0	0	112.2	Y186 A628 R629 L630 A634 S635 L636	Y186-A632 HydrophobicContact CE1-CB 3.68Å; A628-A632 PolarHBondContact O-N 3.18Å; A628-A632 VanDerWaalsContact O-N 3.16Å; R629-A632 CarbonylContact O-C 3.53Å; R629-A632 WeakPolarHBondContact O-CA 3.49Å; R629-A632 WeakPolarHBondContact O-CB 3.39Å; R629-A632 PolarHBondContact O-N 2.98Å; L630-A632 VanDerWaalsContact C-N 3.31Å; L630-A632 PolarHBondContact O-N 3.02Å; A632-A634 PolarHBondContact O-N 3.16Å; A632-S635 CarbonylContact O-C 3.57Å; A632-S635 WeakPolarHBondContact O-CA 3.47Å; A632-S635 WeakPolarHBondContact O-CB 3.43Å; A632-S635 PolarHBondContact O-N 3.44Å; A632-L636 PolarHBondContact O-N 3.43Å; A632-L636 VanDerWaalsContact O-N 3.12Å
633	E	52.2	Low	44.9	Very low	51 Å²	51	78.9 Å²	78.9	24%	0.238	44%	0.435	C	S	.	.	H	α-helix	trans	-60.6	-45.6	178.3	-69.8	176.7	161.9	0	0	111.1	R629 S635 L636 L637	R629-E633 HydrophobicContact CG-CG 4.21Å; R629-E633 IonicContact CZ-OE1 2.69Å; R629-E633 VanDerWaalsContact CZ-OE1 3.22Å; R629-E633 IonicContact NE-OE1 2.78Å; R629-E633 PolarHBondContact NE-OE1 2.94Å; R629-E633 IonicContact NE-OE2 2.71Å; R629-E633 IonicContact NH2-OE1 3.64Å; R629-E633 PolarHBondContact NH2-OE1 3.44Å; R629-E633 IonicContact NH2-OE2 3.27Å; R629-E633 PolarHBondContact O-N 3.43Å; E633-S635 PolarHBondContact O-N 3.49Å; E633-S635 VanDerWaalsContact O-N 3.15Å; E633-L636 PolarHBondContact O-N 2.92Å; E633-L637 PolarHBondContact O-N 3.21Å
634	A	53.6	Low	44.3	Very low	57 Å²	57	88.3 Å²	88.3	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-66	-12.4	173	0	0	0	0	0	114.2	L630 A632	L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 2.81Å; A632-A634 PolarHBondContact O-N 3.16Å
635	S	51.8	Low	43.8	Very low	36 Å²	36	95.6 Å²	95.6	25%	0.252	50%	0.501	S	S	.	.	H	α-helix	trans	-93.7	-15.6	171.8	-66.4	0	0	0	0	113.7	I631 A632 E633 Y987	I631-S635 WeakPolarHBondContact O-CB 3.3Å; I631-S635 PolarHBondContact O-N 2.88Å; I631-S635 PolarHBondContact O-OG 3.2Å; A632-S635 CarbonylContact O-C 3.57Å; A632-S635 WeakPolarHBondContact O-CA 3.47Å; A632-S635 WeakPolarHBondContact O-CB 3.43Å; A632-S635 PolarHBondContact O-N 3.44Å; E633-S635 PolarHBondContact O-N 3.49Å; E633-S635 VanDerWaalsContact O-N 3.15Å; S635-Y987 PolarHBondContact OG-OH 2.82Å
636	L	47.4	Very low	43	Very low	124 Å²	124	105.4 Å²	105.4	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-87.6	-30.7	176.6	-69.1	172.1	0	0	0	112.4	A632 E633 T638	A632-L636 PolarHBondContact O-N 3.43Å; A632-L636 VanDerWaalsContact O-N 3.12Å; E633-L636 PolarHBondContact O-N 2.92Å; L636-T638 VanDerWaalsContact C-N 3.26Å; L636-T638 PolarHBondContact O-N 3.37Å
637	L	42.5	Very low	42.5	Very low	94 Å²	94	109.9 Å²	109.9	49%	0.492	56%	0.557	S	S	.	*			trans	-83.9	26.6	-176.7	-64.2	175.3	0	0	0	114.7	I579 V583 E633 P639	I579-L637 HydrophobicContact CG2-CD2 3.77Å; V583-L637 HydrophobicContact CG2-CD1 4.32Å; E633-L637 PolarHBondContact O-N 3.21Å; L637-P639 WeakPolarHBondContact O-CD 3.48Å
638	T	38.2	Very low	41.5	Very low	85 Å²	85	113.5 Å²	113.5	52%	0.521	58%	0.582	S	S	.	*			trans	-72.6	121.2	-180	54.1	0	0	0	0	111.8	L636	L636-T638 VanDerWaalsContact C-N 3.26Å; L636-T638 PolarHBondContact O-N 3.37Å
639	P	35.4	Very low	40.6	Very low	113 Å²	113	118.1 Å²	118.1	73%	0.734	61%	0.61	S	S	*	*			trans	-64.6	138.9	-176.3	-24.4	35	0	0	0	114.1	L637 S641	L637-P639 WeakPolarHBondContact O-CD 3.48Å; P639-S641 VanDerWaalsContact C-N 3.35Å; P639-S641 PolarHBondContact O-N 2.86Å; P639-S641 PolarHBondContact O-OG 3.3Å
640	V	30.7	Very low	39.8	Very low	147 Å²	147	122.7 Å²	122.7	89%	0.891	65%	0.645	S	S	*	*			trans	-67.8	88.9	175.3	-177.7	0	0	0	0	109.9	K642	V640-K642 PolarHBondContact O-N 2.88Å
641	S	35.7	Very low	38.9	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	68%	0.679	S	S	*	*			trans	-84.8	79.8	-171.9	26.8	0	0	0	0	112.1	P639	P639-S641 VanDerWaalsContact C-N 3.35Å; P639-S641 PolarHBondContact O-N 2.86Å; P639-S641 PolarHBondContact O-OG 3.3Å
642	K	34.3	Very low	37.9	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	69%	0.689	S	S	*	*			trans	49.5	112.8	163.5	-63.2	-172.1	177	-174.6	0	116.8	V640 R644	V640-K642 PolarHBondContact O-N 2.88Å; K642-R644 PolarHBondContact O-N 2.77Å
643	Q	29.9	Very low	37.2	Very low	186 Å²	186	139 Å²	139	87%	0.869	72%	0.721	S	S	*	*			trans	-50.6	111.1	163	-69.7	178	-13.6	0	0	111	Q645	Q643-Q645 PolarHBondContact O-N 3.08Å
644	R	32.2	Very low	36.3	Very low	239 Å²	239	141.4 Å²	141.4	90%	0.902	74%	0.743	S	S	*	*			trans	-81.5	104.8	156.9	-91.2	-171.6	166.4	-166.2	-4.4	107.9	K642 R646	K642-R644 PolarHBondContact O-N 2.77Å; R644-R646 PolarHBondContact O-N 3.29Å
645	Q	31.3	Very low	35.3	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	76%	0.756	S	S	*	*			trans	-53.6	133.3	170.1	-70.6	-174.8	-8.4	0	0	110	Q643	Q643-Q645 PolarHBondContact O-N 3.08Å
646	R	30.8	Very low	34.1	Very low	241 Å²	241	150.5 Å²	150.5	91%	0.909	78%	0.78	S	S	*	*			trans	-86.7	113.5	170.5	-70.6	178.2	172.2	176.6	-3.2	108.5	R644	R644-R646 PolarHBondContact O-N 3.29Å
647	K	33.2	Very low	33.3	Very low	201 Å²	201	154.7 Å²	154.7	87%	0.874	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71	139.1	156.3	-77.5	-169.1	173	-173.6	0	108.7
648	P	31.8	Very low	32.5	Very low	118 Å²	118	155.5 Å²	155.5	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.8	160.7	178.6	30.7	-35	0	0	0	112
649	P	32.3	Very low	32.1	Very low	130 Å²	130	156.3 Å²	156.3	84%	0.844	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.3	156.8	-171.4	35.7	-36.1	0	0	0	114.2
650	S	33.7	Very low	31.6	Very low	120 Å²	120	160.3 Å²	160.3	84%	0.839	81%	0.812	S	S	*	*			trans	-124.2	166.5	159.6	55.2	0	0	0	0	110
651	Y	31.7	Very low	31.7	Very low	234 Å²	234	164.8 Å²	164.8	92%	0.918	81%	0.813	S	S	*	*			trans	-81	162.9	-158.8	-118.5	-128.1	0	0	0	115.5
652	P	37.4	Very low	31.3	Very low	102 Å²	102	166.5 Å²	166.5	66%	0.662	81%	0.813	S	S	*	*			trans	-102.6	180	-170.5	41.8	-35.1	0	0	0	113.2
653	D	34	Very low	31.2	Very low	157 Å²	157	164.2 Å²	164.2	84%	0.84	82%	0.816	S	S	*	*			trans	-156.2	153.7	147	-128.8	-31.3	0	0	0	116.2
654	S	34.7	Very low	31	Very low	100 Å²	100	161.8 Å²	161.8	70%	0.699	81%	0.813	S	S	*	*			trans	77.1	133.7	155.8	82.7	0	0	0	0	123.8
655	V	31.8	Very low	31	Very low	123 Å²	123	162 Å²	162	75%	0.745	81%	0.814	S	S	*	*			trans	49.5	100.2	155.6	-141.8	0	0	0	0	119.2
656	E	27.3	Very low	31	Very low	161 Å²	161	158.4 Å²	158.4	75%	0.752	81%	0.809	S	S	*	*				56.9	115.5	79	-65	-160.7	135.3	0	0	118.1
657	Y	29.6	Very low	31.1	Very low	213 Å²	213	152.4 Å²	152.4	84%	0.835	80%	0.804	S	S	*	*				-164.9	176.9	100.9	-129.5	-103.6	0	0	0	112.9
658	V	26.6	Very low	31.2	Very low	111 Å²	111	151.8 Å²	151.8	67%	0.673	80%	0.801	S	S	*	*			trans	-133.3	163.7	-154	-178.1	0	0	0	0	113.8
659	S	30	Very low	31.2	Very low	101 Å²	101	151.7 Å²	151.7	71%	0.706	80%	0.799	S	S	*	*			trans	102.1	132.8	162.3	78.4	0	0	0	0	116
660	F	25.2	Very low	31.4	Very low	197 Å²	197	156.5 Å²	156.5	86%	0.864	80%	0.8	S	S	*	*			cis	65.4	106.2	49.9	-88.3	-85.3	0	0	0	114.3
661	R	32.1	Very low	31.3	Very low	242 Å²	242	154.8 Å²	154.8	91%	0.913	79%	0.788	S	S	*	*				-176.8	158.1	112.4	-104.5	167.9	174.7	166.4	-2.1	114.7
662	N	27.2	Very low	31.5	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	78%	0.783	S	S	*	*			trans	-66.9	151.4	159.4	-46.5	-31.6	0	0	0	109.8
663	T	31.3	Very low	31.5	Very low	146 Å²	146	152.8 Å²	152.8	90%	0.896	78%	0.78	S	S	*	*				-167.3	151.2	115.9	21.1	0	0	0	0	112.3
664	V	27.4	Very low	31.5	Very low	135 Å²	135	154.9 Å²	154.9	82%	0.818	78%	0.777	S	S	*	*			trans	-92.7	130.9	169.8	173.5	0	0	0	0	109
665	R	31.7	Very low	31.7	Very low	243 Å²	243	153.7 Å²	153.7	92%	0.917	78%	0.78	S	S	*	*			trans	-175.9	154	133.9	-102.2	161.1	-171.1	-157.7	1.4	113.8
666	S	30.7	Very low	32	Very low	104 Å²	104	154.7 Å²	154.7	73%	0.727	78%	0.781	S	S	*	*			trans	-21.4	142.2	159.2	-165.6	0	0	0	0	114.7
667	S	33.9	Very low	32.5	Very low	115 Å²	115	154.9 Å²	154.9	80%	0.804	78%	0.78	S	S	*	*				-159.1	173.2	57.2	-61.4	0	0	0	0	116.8
668	K	34	Very low	33	Very low	187 Å²	187	151.4 Å²	151.4	81%	0.813	78%	0.776	S	S	*	*			trans	-64.8	164.1	-170.6	-61.9	174.4	175.1	175.1	0	116.2
669	T	33.4	Very low	33.6	Very low	116 Å²	116	149.2 Å²	149.2	71%	0.712	78%	0.775	S	S	*	*			trans	83.6	122.7	139.1	29.4	0	0	0	0	122.2
670	R	34.7	Very low	33.8	Very low	231 Å²	231	152.1 Å²	152.1	87%	0.872	78%	0.781	S	S	*	*			trans	72	149.5	145.5	-69	177.5	179.5	-175.7	-1.2	118.4
671	S	33.5	Very low	34.4	Very low	85 Å²	85	149.5 Å²	149.5	59%	0.594	78%	0.776	S	S	*	*			cis	-177.1	153.8	-29.2	50.8	0	0	0	0	109.9
672	I	35.7	Very low	34.5	Very low	156 Å²	156	144.6 Å²	144.6	80%	0.8	77%	0.767	S	S	*	*			trans	71.3	151	153.7	-73.8	159.4	0	0	0	116.6
673	K	36	Very low	35	Very low	138 Å²	138	142.5 Å²	142.5	60%	0.6	76%	0.756	S	S	*	*			cis	-175.5	155.7	-34.9	-155.8	169.6	174.1	-161.2	0	108.7
674	Y	35.8	Very low	35.2	Very low	201 Å²	201	143.6 Å²	143.6	79%	0.788	75%	0.748	S	S	*	*			trans	67.7	153.7	174.7	-49.6	-74	0	0	0	115.1
675	G	37.4	Very low	35.5	Very low	74 Å²	74	141.2 Å²	141.2	76%	0.763	74%	0.738	S	S	*	*			cis	160.1	174	-2.8	0	0	0	0	0	109.2
676	N	38.1	Very low	35.7	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	73%	0.732	S	S	*	*			cis	-171	168	-18.9	-168.6	17.6	0	0	0	107.2
677	K	39	Very low	35.9	Very low	165 Å²	165	138.7 Å²	138.7	72%	0.717	73%	0.729	S	S	*	*			trans	68.7	171.2	168.1	-60.1	-170.7	162.8	-149.7	0	117.4
678	D	39.6	Very low	36	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	72%	0.721	S	S	*	*			cis	-169.4	156.8	-34.8	-80.6	-24.8	0	0	0	105.1
679	G	38.1	Very low	36	Very low	64 Å²	64	137.1 Å²	137.1	66%	0.66	72%	0.721	S	S	*	*			cis	160.4	148.2	-12.6	0	0	0	0	0	113.8
680	I	35.8	Very low	36.1	Very low	163 Å²	163	134.5 Å²	134.5	84%	0.836	72%	0.717	S	S	*	*			trans	85.6	150.3	146.1	-66.1	167.9	0	0	0	121.6
681	L	37.3	Very low	36.2	Very low	142 Å²	142	131.4 Å²	131.4	74%	0.743	71%	0.712	S	S	*	*			trans	72.7	127.6	173.6	-71	155.2	0	0	0	117.2
682	N	33.3	Very low	36.4	Very low	138 Å²	138	133.6 Å²	133.6	74%	0.738	72%	0.717	S	S	*	*				71.4	146.7	72.6	-71.3	18.1	0	0	0	113.5
683	D	38.6	Very low	36.5	Very low	104 Å²	104	131.7 Å²	131.7	56%	0.556	71%	0.712	S	S	*	*			cis	-159.3	172.2	31.2	-144.6	-10.8	0	0	0	112.9
684	K	35.1	Very low	36.2	Very low	169 Å²	169	133.4 Å²	133.4	74%	0.735	72%	0.723	S	S	*	*			trans	29.8	156.5	146	-74.9	157.4	-157.2	148	0	123.1
685	S	33.5	Very low	36.1	Very low	86 Å²	86	131.2 Å²	131.2	60%	0.601	73%	0.725	S	S	*	*			cis	178.8	175.7	-9.6	54.2	0	0	0	0	110.8
686	Q	37	Very low	35.9	Very low	167 Å²	167	131.4 Å²	131.4	78%	0.78	72%	0.719	S	S	*	*			trans	68.6	161	162.1	-66.5	-179.8	-11.6	0	0	115.1
687	N	34.5	Very low	35.6	Very low	126 Å²	126	131 Å²	131	67%	0.674	72%	0.717	S	S	*	*			cis	-170.4	171.4	-13.3	-99	9.8	0	0	0	106.6
688	N	34.9	Very low	35.5	Very low	118 Å²	118	129.4 Å²	129.4	63%	0.631	72%	0.716	S	S	*	*			cis	-165.1	176.8	-4.4	-125.3	47.5	0	0	0	111.4
689	N	35.1	Very low	35.3	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	72%	0.716	S	S	*	*			trans	76.4	150.5	151.2	-63.1	-5.8	0	0	0	122.3
690	G	35.1	Very low	35.2	Very low	62 Å²	62	130 Å²	130	64%	0.639	71%	0.711	S	S	*	*			trans	116.1	90.9	177.2	0	0	0	0	0	112
691	H	38	Very low	35.2	Very low	166 Å²	166	130.7 Å²	130.7	77%	0.769	71%	0.707	S	S	*	*				56.7	131.8	81.1	-65.4	-72.6	0	0	0	114.3
692	D	37.6	Very low	35	Very low	130 Å²	130	129 Å²	129	70%	0.695	71%	0.707	S	S	*	*			cis	-163.2	163.7	-10.1	-111.8	-9	0	0	0	112.2
693	V	36.2	Very low	35	Very low	116 Å²	116	130.6 Å²	130.6	70%	0.703	71%	0.708	S	S	*	*			trans	35.8	126.9	147.7	-173.5	0	0	0	0	122.2
694	E	30.9	Very low	34.7	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	72%	0.716	S	S	*	*			trans	-2.8	166.5	146.6	-55	176.8	124.1	0	0	123.8
695	D	32.7	Very low	34.7	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	71%	0.706	S	S	*	*			trans	105	135.3	144.5	-94.1	-15.2	0	0	0	123.9
696	A	33.3	Very low	34.7	Very low	78 Å²	78	131.6 Å²	131.6	65%	0.645	71%	0.705	S	S	*	*			trans	65.1	120.9	145.5	0	0	0	0	0	123.5
697	N	33.2	Very low	34.5	Very low	136 Å²	136	127.6 Å²	127.6	73%	0.727	68%	0.683	S	S	*	*				83.4	135.8	124.7	-80.5	41.9	0	0	0	124.9
698	D	35.8	Very low	34.3	Very low	130 Å²	130	125.7 Å²	125.7	70%	0.695	68%	0.68	S	S	*	*			trans	76.5	131.8	135.6	-58.2	-22.6	0	0	0	124.7
699	D	36.3	Very low	34.1	Very low	140 Å²	140	123.9 Å²	123.9	75%	0.749	68%	0.676	S	S	*	*			trans	71.7	91.2	135.1	-82.1	-1	0	0	0	123.7
700	S	34.9	Very low	34	Very low	79 Å²	79	124.1 Å²	124.1	55%	0.552	67%	0.672	S	S	*	*				124.3	157.7	86.2	72.5	0	0	0	0	118
701	K	35.9	Very low	33.9	Very low	176 Å²	176	127.2 Å²	127.2	77%	0.765	67%	0.673	S	S	*	*			trans	62.4	101.8	158.3	-66.9	152.7	-169.5	146	0	116.8
702	S	34.1	Very low	33.5	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	67%	0.671	S	S	*	*				104.1	147.6	95.4	73.5	0	0	0	0	111.9
703	F	32.8	Very low	33.1	Very low	172 Å²	172	125 Å²	125	75%	0.754	68%	0.683	S	S	*	*			cis	-157.1	136.2	3.8	-147.5	-128.4	0	0	0	109.8
704	Y	31.7	Very low	32.7	Very low	187 Å²	187	123.6 Å²	123.6	73%	0.733	68%	0.679	S	S	*	*			trans	51.7	150.7	161	-78.2	-115.3	0	0	0	120.5
705	A	34.7	Very low	32.6	Very low	63 Å²	63	124.2 Å²	124.2	52%	0.521	68%	0.679	S	S	.	*			cis	-156.2	139.1	-32	0	0	0	0	0	104.9	Y707	A705-Y707 HydrophobicContact CB-CE2 4.31Å
706	K	34.5	Very low	32.4	Very low	131 Å²	131	125.1 Å²	125.1	57%	0.57	68%	0.68	S	S	*	*				54.3	138.5	72.8	-111.3	-171.2	162.9	-171.9	0	111.3	D801	K706-D801 IonicContact NZ-OD2 2.67Å; K706-D801 PolarHBondContact NZ-OD2 3.08Å
707	Y	32.2	Very low	32.1	Very low	83 Å²	83	125.3 Å²	125.3	33%	0.325	69%	0.69	S	S	.	*				-143.1	160	50.4	-74.7	-77.6	0	0	0	116.4	A705 P798 N799 L800	A705-Y707 HydrophobicContact CB-CE2 4.31Å; Y707-P798 HydrophobicContact CE2-CB 4.18Å; Y707-N799 VanDerWaalsContact CB-CG 3.49Å; Y707-N799 WeakPolarHBondContact CB-OD1 3.48Å; Y707-N799 HydrophobicContact CD1-CB 3.65Å; Y707-N799 HydrophobicContact CD2-CB 3.2Å; Y707-N799 HydrophobicContact CE1-CB 3.89Å; Y707-N799 HydrophobicContact CE2-CB 3.45Å; Y707-N799 VanDerWaalsContact CE2-CB 3.45Å; Y707-N799 HydrophobicContact CG-CB 3.26Å; Y707-N799 PolarHBondContact OH-O 2.7Å; Y707-L800 HydrophobicContact CD1-CB 3.53Å; Y707-L800 HydrophobicContact CD1-CD1 3.6Å; Y707-L800 HydrophobicContact CD1-CG 3.48Å; Y707-L800 VanDerWaalsContact CD1-CG 3.48Å; Y707-L800 HydrophobicContact CE1-CB 3.64Å; Y707-L800 HydrophobicContact CE1-CD1 4.41Å; Y707-L800 HydrophobicContact CE1-CG 4.14Å; Y707-L800 HydrophobicContact CG-CB 4.5Å; Y707-L800 HydrophobicContact CG-CD1 4.42Å; Y707-L800 HydrophobicContact CG-CG 4.16Å
708	S	30.8	Very low	31.9	Very low	86 Å²	86	126.2 Å²	126.2	60%	0.601	70%	0.695	S	S	*	*			trans	-167.3	138.2	-173	-61.3	0	0	0	0	111.9	L800	S708-L800 WeakPolarHBondContact O-CD1 3.46Å
709	S	31.1	Very low	31.5	Very low	80 Å²	80	128.2 Å²	128.2	56%	0.559	70%	0.697	S	S	*	*			trans	62.2	177	164.5	69.6	0	0	0	0	114.9	L800	S709-L800 WeakPolarHBondContact O-CD1 3.41Å; S709-L800 WeakPolarHBondContact O-CD2 3.48Å
710	Q	32.4	Very low	31	Very low	156 Å²	156	131.8 Å²	131.8	73%	0.729	70%	0.702	S	S	*	*			cis	-155	-179	12	-152.1	162.7	46	0	0	111.4
711	L	31.6	Very low	30.6	Very low	126 Å²	126	134.5 Å²	134.5	66%	0.66	72%	0.715	S	S	*	*			trans	68.4	138.1	165.8	-56.9	159.4	0	0	0	116.7
712	G	30.3	Very low	30.3	Very low	70 Å²	70	132 Å²	132	72%	0.722	71%	0.714	S	S	*	*			cis	122.9	75.9	-16.6	0	0	0	0	0	115.5
713	L	29.9	Very low	29.9	Very low	179 Å²	179	131.7 Å²	131.7	94%	0.937	72%	0.717	S	S	*	*			trans	-143.1	162	166.1	-105.3	171.1	0	0	0	111.7
714	S	27.9	Very low	29.9	Very low	88 Å²	88	129.3 Å²	129.3	62%	0.615	72%	0.722	S	S	*	*			trans	-106.8	150.1	-170.3	55.7	0	0	0	0	113.1
715	F	28.5	Very low	29.9	Very low	187 Å²	187	123.1 Å²	123.1	82%	0.82	72%	0.715	S	S	*	*				-168.9	174.9	114.2	-120.2	-88	0	0	0	113.1
716	M	28.7	Very low	29.8	Very low	174 Å²	174	126.6 Å²	126.6	86%	0.857	73%	0.73	S	S	*	*			trans	-66.1	137.6	172.8	-63	151.6	54.3	0	0	111.8
717	G	27.4	Very low	29.7	Very low	82 Å²	82	128.7 Å²	128.7	85%	0.845	74%	0.742	S	S	*	*			trans	-159.1	120.3	171.6	0	0	0	0	0	110.6
718	N	28.5	Very low	29.6	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	76%	0.763	S	S	*	*			trans	-117	150.3	-172	-156.5	-5.2	0	0	0	110.3
719	K	27.1	Very low	29.7	Very low	171 Å²	171	139.5 Å²	139.5	74%	0.743	78%	0.778	S	S	*	*			trans	82.5	111.1	169.7	-59.3	-174.2	176.5	-179.4	0	121
720	Y	25.1	Very low	29.7	Very low	216 Å²	216	139.5 Å²	139.5	85%	0.847	78%	0.782	S	S	*	*				64.4	-176.8	127.8	-71.7	-74.2	0	0	0	120.8
721	V	27.7	Very low	29.8	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	79%	0.791	S	S	*	*			trans	62	144.6	-172	-109	0	0	0	0	114
722	V	28.1	Very low	30	Very low	124 Å²	124	139.7 Å²	139.7	75%	0.752	79%	0.791	S	S	*	*			cis	-128.3	143.2	7.5	-175.8	0	0	0	0	111
723	A	27.1	Very low	30.3	Very low	98 Å²	98	142 Å²	142	81%	0.81	79%	0.786	S	S	*	*			trans	-106.2	134.1	162.4	0	0	0	0	0	109.8
724	S	32.3	Very low	30.4	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	78%	0.777	S	S	*	*			trans	-110.8	136.4	169.5	-54.6	0	0	0	0	108.1
725	G	31.1	Very low	30.6	Very low	58 Å²	58	142.8 Å²	142.8	60%	0.598	78%	0.784	S	S	*	*			cis	160.5	147.6	-1.4	0	0	0	0	0	109.3
726	T	32.5	Very low	30.7	Very low	136 Å²	136	139 Å²	139	83%	0.834	78%	0.776	S	S	*	*			trans	76.1	141.4	-173.6	73	0	0	0	0	115.7
727	Q	33.1	Very low	30.7	Very low	175 Å²	175	137.4 Å²	137.4	82%	0.818	77%	0.772	S	S	*	*			cis	-148.1	174.7	3.2	-131	161.3	28.6	0	0	113.1
728	H	30.1	Very low	31	Very low	164 Å²	164	140.5 Å²	140.5	76%	0.759	77%	0.767	S	S	*	*			trans	-64.4	159.6	-176.5	-64.4	-99.6	0	0	0	112.8
729	Y	33.2	Very low	31.2	Very low	232 Å²	232	141.3 Å²	141.3	91%	0.91	77%	0.766	S	S	*	*				-153.1	172.9	54	-98	-97.3	0	0	0	114
730	A	31.5	Very low	31.3	Very low	80 Å²	80	137.7 Å²	137.7	66%	0.661	76%	0.762	S	S	*	*			trans	-126.4	161.5	-177.8	0	0	0	0	0	112.8
731	M	34.9	Very low	31.6	Very low	183 Å²	183	137.3 Å²	137.3	90%	0.901	77%	0.765	S	S	*	*				-172.6	162.1	128	-89.9	-44.9	156.4	0	0	110.8
732	P	35.2	Very low	31.9	Very low	102 Å²	102	135.8 Å²	135.8	66%	0.662	76%	0.761	S	S	*	*			trans	-126.4	-176.2	-159.6	45	-32.9	0	0	0	117.4
733	D	36.2	Very low	32.2	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	77%	0.769	S	S	*	*			trans	84	113.8	148.3	-79.5	-38.3	0	0	0	123.8
734	K	32	Very low	32.5	Very low	171 Å²	171	141.4 Å²	141.4	74%	0.743	77%	0.767	S	S	*	*				53.6	117.5	127.9	-61.3	175	-173.5	106.7	0	122.5
735	C	31.3	Very low	32.6	Very low	113 Å²	113	143.9 Å²	143.9	76%	0.764	77%	0.77	S	S	*	*				-178	115.8	113.8	-94.1	0	0	0	0	107.6
736	T	31.4	Very low	32.7	Very low	107 Å²	107	149.8 Å²	149.8	66%	0.656	78%	0.779	S	S	*	*				58.4	103.7	84	61.3	0	0	0	0	115.7
737	D	29.5	Very low	33.1	Very low	142 Å²	142	149.2 Å²	149.2	76%	0.759	78%	0.777	S	S	*	*				91.5	139.3	127.7	-58	-9.7	0	0	0	122.9
738	I	32.7	Very low	33.3	Very low	146 Å²	146	147 Å²	147	75%	0.749	78%	0.778	S	S	*	*			trans	93	132.5	147.4	-75.4	156.8	0	0	0	121
739	E	32.8	Very low	33.2	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	79%	0.785	S	S	*	*			trans	63.4	117.9	159.6	-80.4	153.9	-141.9	0	0	123.8
740	S	28.7	Very low	33.3	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	78%	0.781	S	S	*	*			trans	-51.7	151.6	155.4	50.2	0	0	0	0	115.4
741	F	32.9	Very low	33.4	Very low	207 Å²	207	146 Å²	146	91%	0.908	79%	0.786	S	S	*	*				-154.8	174.1	127.8	-106.3	-69.4	0	0	0	110.9
742	S	32.5	Very low	33.2	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.779	S	S	*	*			trans	-106.4	-179.4	-160.9	-60.5	0	0	0	0	114.8
743	E	35.9	Very low	33.3	Very low	195 Å²	195	142.7 Å²	142.7	91%	0.911	78%	0.781	S	S	*	*			trans	106.8	137.8	153.4	-55.6	-158.3	142.8	0	0	119.7
744	D	32.2	Very low	33.1	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	78%	0.783	S	S	*	*			trans	-56.1	161.9	-174.7	-70.3	-46.4	0	0	0	116.1
745	L	34.9	Very low	33.3	Very low	174 Å²	174	142.4 Å²	142.4	91%	0.911	79%	0.786	S	S	*	*				-159.2	147	125.6	-108.5	166.1	0	0	0	112.7
746	K	33.5	Very low	33.4	Very low	182 Å²	182	143.7 Å²	143.7	79%	0.791	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-100.5	146.2	-177.1	-62.5	167.1	-176.6	162.3	0	111.8
747	P	41.3	Very low	33.5	Very low	123 Å²	123	148.7 Å²	148.7	80%	0.799	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81	141.1	159.7	33	-31.8	0	0	0	111.4
748	P	37.7	Very low	33.5	Very low	128 Å²	128	147.8 Å²	147.8	83%	0.831	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-92.8	164.6	-176.1	35.9	-36.2	0	0	0	114.8
749	L	27.3	Very low	33.6	Very low	172 Å²	172	147.2 Å²	147.2	90%	0.901	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-101.5	132.8	168.8	-69.2	167.5	0	0	0	110.6
750	L	34.6	Very low	33.7	Very low	157 Å²	157	143.9 Å²	143.9	82%	0.822	79%	0.79	S	S	*	*			trans	-151.5	104.2	161.5	-97.3	175.3	0	0	0	113
751	T	34.4	Very low	33.9	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	79%	0.79	S	S	*	*			trans	51.9	149.4	133.7	54.7	0	0	0	0	124.7
752	S	29.5	Very low	34	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	79%	0.786	S	S	*	*			trans	-81.5	-171	176.3	59.3	0	0	0	0	112.3
753	P	38	Very low	34	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	78%	0.784	S	S	*	*			cis	-152.6	163.3	18.6	45.1	-23.5	0	0	0	121.6
754	S	33.2	Very low	33.9	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	78%	0.776	S	S	*	*			trans	55.5	145	136.7	75	0	0	0	0	124.3
755	K	35.4	Very low	34.1	Very low	188 Å²	188	138.4 Å²	138.4	82%	0.817	77%	0.771	S	S	*	*			trans	119.4	150.4	157.4	-70.4	170.3	-176.6	173.3	0	113.2
756	L	33.5	Very low	34.1	Very low	139 Å²	139	137.3 Å²	137.3	73%	0.728	77%	0.766	S	S	*	*			cis	-166.9	150.2	-27.4	-109.7	173.4	0	0	0	108.2
757	R	33.1	Very low	34.1	Very low	212 Å²	212	133.4 Å²	133.4	80%	0.8	76%	0.761	S	S	*	*			trans	35.5	118.3	151.1	-71.5	178.5	-178.2	-169.2	-0.6	120.7
758	T	29.9	Very low	33.9	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	76%	0.764	S	S	*	*				68.6	112.4	67.7	66.9	0	0	0	0	118.4
759	T	35.4	Very low	33.9	Very low	134 Å²	134	135 Å²	135	82%	0.822	76%	0.761	S	S	*	*			trans	-170.2	121.9	150.5	16.5	0	0	0	0	108.8
760	S	33.9	Very low	34.3	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	74%	0.742	S	S	*	*				66.8	140.8	94.1	75.7	0	0	0	0	115.4
761	S	32.8	Very low	34.3	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	73%	0.731	S	S	*	*			cis	-173.7	-159.5	0.2	40.8	0	0	0	0	110.7
762	F	34.5	Very low	34.2	Very low	186 Å²	186	125.4 Å²	125.4	82%	0.816	72%	0.724	S	S	*	*			trans	90.9	108.2	-173.5	-61.7	-78.3	0	0	0	113.6
763	T	33.2	Very low	34.6	Very low	113 Å²	113	126.5 Å²	126.5	69%	0.693	73%	0.729	S	S	*	*			cis	74.6	143.3	44.9	77.9	0	0	0	0	113.6
764	L	34.8	Very low	34.5	Very low	144 Å²	144	126.9 Å²	126.9	75%	0.754	73%	0.731	S	S	*	*			cis	-163.4	154.5	17.4	-136.8	161.2	0	0	0	110.8
765	S	34.9	Very low	34.3	Very low	94 Å²	94	127.1 Å²	127.1	66%	0.657	73%	0.733	S	S	*	*			trans	54.1	150.4	148.9	50.4	0	0	0	0	122.5
766	D	35.1	Very low	34.2	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	74%	0.736	S	S	*	*			cis	-161.3	179.7	-18.6	-136.7	-50.9	0	0	0	112.4
767	S	34	Very low	34	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	74%	0.74	S	S	*	*			trans	-30.7	149.7	-179.9	69.1	0	0	0	0	123
768	S	36.9	Very low	33.8	Very low	121 Å²	121	124 Å²	124	85%	0.846	73%	0.732	S	S	*	*				177.5	176.2	114.4	51.9	0	0	0	0	113.1
769	H	36.8	Very low	33.8	Very low	165 Å²	165	124.7 Å²	124.7	76%	0.764	74%	0.736	S	S	*	*			trans	-123.3	140.7	-167.9	-67.5	-73.4	0	0	0	115.6
770	D	36	Very low	33.5	Very low	95 Å²	95	121.7 Å²	121.7	51%	0.508	73%	0.726	S	S	.	*			trans	-167.1	132.9	133.5	-103.3	-12.9	0	0	0	111.8	R439 K441	R439-D770 IonicContact CZ-OD1 3.22Å; R439-D770 IonicContact CZ-OD2 2.65Å; R439-D770 IonicContact NH1-OD1 2.64Å; R439-D770 IonicContact NH1-OD2 3.52Å; R439-D770 PolarHBondContact NH1-OD2 2.94Å; R439-D770 IonicContact NH2-OD1 3.15Å; R439-D770 PolarHBondContact NH2-OD1 2.94Å; R439-D770 IonicContact NH2-OD2 3.83Å; R439-D770 PolarHBondContact NH2-OD2 3.27Å; K441-D770 IonicContact NZ-OD1 3.47Å; K441-D770 PolarHBondContact NZ-OD1 3.44Å
771	V	36	Very low	33.4	Very low	98 Å²	98	126 Å²	126	59%	0.594	73%	0.734	S	S	*	*				68.1	105.4	81.7	179.1	0	0	0	0	114.1
772	G	32.4	Very low	33.7	Very low	62 Å²	62	126 Å²	126	64%	0.639	74%	0.74	S	S	*	*			trans	-83.5	-173	171.3	0	0	0	0	0	114.1
773	P	36.2	Very low	33.8	Very low	131 Å²	131	123.3 Å²	123.3	85%	0.851	73%	0.734	S	S	*	*				-142.1	-137.1	119.8	40.2	-20.6	0	0	0	112.8
774	P	36.8	Very low	34.3	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	74%	0.743	S	S	*	*				-131.3	-172.5	-126.9	39.4	-15.7	0	0	0	117
775	S	29.5	Very low	34.5	Very low	101 Å²	101	128 Å²	128	71%	0.706	74%	0.742	S	S	*	*			trans	-19.5	143.5	165.1	57.9	0	0	0	0	120.3
776	I	32.7	Very low	34.6	Very low	171 Å²	171	129 Å²	129	88%	0.877	75%	0.748	S	S	*	*				-165.6	170.5	125.9	-101.7	156.2	0	0	0	111.8
777	Y	29.1	Very low	34.7	Very low	212 Å²	212	129.6 Å²	129.6	83%	0.831	75%	0.746	S	S	*	*			trans	-75.8	164.1	-162.6	-96.2	-103	0	0	0	119.4
778	S	28	Very low	34.7	Very low	90 Å²	90	130.4 Å²	130.4	63%	0.629	74%	0.743	S	S	*	*			trans	86.2	139.4	136.5	-77.9	0	0	0	0	123.7
779	T	30.6	Very low	34.6	Very low	138 Å²	138	131.4 Å²	131.4	85%	0.847	74%	0.737	S	S	*	*			trans	61.9	151.5	146.3	50.1	0	0	0	0	119.7
780	A	30.5	Very low	34.3	Very low	72 Å²	72	128.3 Å²	128.3	60%	0.595	73%	0.734	S	S	*	*			cis	-171.4	172.4	-21.5	0	0	0	0	0	109.2
781	E	31.5	Very low	34.3	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	75%	0.75	S	S	*	*			trans	67.9	166.9	157.7	-71.6	158.2	-142.4	0	0	120.4
782	A	38.5	Very low	34	Very low	96 Å²	96	133.7 Å²	133.7	79%	0.793	76%	0.758	S	S	*	*			trans	88.9	86.6	-164.2	0	0	0	0	0	113.5
783	D	37.1	Very low	34.1	Very low	131 Å²	131	135.8 Å²	135.8	70%	0.701	76%	0.763	S	S	*	*			cis	70.9	107.9	39.4	-148.2	53.5	0	0	0	113	R785	D783-R785 IonicContact OD2-CZ 3.07Å; D783-R785 IonicContact OD2-NH1 3.06Å; D783-R785 PolarHBondContact OD2-NH1 3.47Å
784	D	44.1	Very low	34	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	76%	0.76	S	S	*	*			trans	-145	151.6	163.1	-156.5	-6.8	0	0	0	109.1
785	R	37.7	Very low	33.8	Very low	191 Å²	191	138.7 Å²	138.7	72%	0.721	76%	0.759	S	S	*	*			trans	-116.6	177.4	-152.5	-85.5	176.6	149.6	76.8	-0.5	114.9	D783	D783-R785 IonicContact OD2-CZ 3.07Å; D783-R785 IonicContact OD2-NH1 3.06Å; D783-R785 PolarHBondContact OD2-NH1 3.47Å
786	S	37.4	Very low	34	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	76%	0.764	S	S	*	*			trans	95.4	149.4	174	74.7	0	0	0	0	116.9
787	E	36.7	Very low	33.9	Very low	165 Å²	165	138.9 Å²	138.9	77%	0.771	75%	0.754	S	S	*	*			cis	-166.9	155.2	-30.2	-93	-148	146.8	0	0	105.9
788	L	35	Very low	34.2	Very low	117 Å²	117	133 Å²	133	61%	0.613	74%	0.742	S	S	*	*			cis	-158.9	153.3	-5.5	-120.5	178.4	0	0	0	109
789	L	33.3	Very low	34.6	Very low	141 Å²	141	132.5 Å²	132.5	74%	0.738	73%	0.733	S	S	*	*			trans	64.6	122.4	164.1	-53.4	171.8	0	0	0	117.1
790	S	30.9	Very low	34.8	Very low	100 Å²	100	129.4 Å²	129.4	70%	0.699	71%	0.71	S	S	*	*				69.8	137.3	58.6	-53	0	0	0	0	112.4
791	I	35.7	Very low	35	Very low	163 Å²	163	130.2 Å²	130.2	84%	0.836	71%	0.705	S	S	*	*			cis	-140.3	149.2	37.9	-71.4	166.8	0	0	0	112.5
792	D	29.6	Very low	35.2	Very low	143 Å²	143	127.1 Å²	127.1	77%	0.765	70%	0.699	S	S	*	*			trans	-86.2	153.6	175.3	-48.9	-92	0	0	0	114.9
793	S	34.8	Very low	35	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	69%	0.691	S	S	*	*			trans	175.5	126.6	142.7	-79.8	0	0	0	0	108.2
794	E	34.6	Very low	35	Very low	169 Å²	169	127 Å²	127	79%	0.79	69%	0.693	S	S	*	*				55.7	131.7	82.8	-64.5	-161	144.8	0	0	114.3
795	L	32.2	Very low	34.4	Very low	137 Å²	137	124.4 Å²	124.4	72%	0.717	69%	0.688	S	S	*	*			cis	-166.6	167.7	-9.8	-118.8	172.2	0	0	0	108.3
796	T	33.7	Very low	34.2	Very low	131 Å²	131	120.8 Å²	120.8	80%	0.804	69%	0.691	S	S	*	*			trans	71.7	116.2	163.3	6.1	0	0	0	0	120.7
797	E	31	Very low	34	Very low	144 Å²	144	122 Å²	122	67%	0.673	69%	0.689	S	S	*	*			trans	-50	165.7	145.3	-73.2	-77.6	162.9	0	0	113.1	N799	E797-N799 PolarHBondContact OE2-ND2 3.24Å
798	P	36.3	Very low	33.8	Very low	90 Å²	90	124.9 Å²	124.9	58%	0.584	69%	0.694	S	S	*	*			cis	-144.9	138.5	24.2	37.2	-14.7	0	0	0	120.6	Y707	Y707-P798 HydrophobicContact CE2-CB 4.18Å
799	N	35.8	Very low	33.9	Very low	79 Å²	79	126 Å²	126	42%	0.422	70%	0.696	S	S	.	*			trans	54.2	134.9	132.4	-74.6	-95.3	0	0	0	126.1	Y707 E797	Y707-N799 VanDerWaalsContact CB-CG 3.49Å; Y707-N799 WeakPolarHBondContact CB-OD1 3.48Å; Y707-N799 HydrophobicContact CD1-CB 3.65Å; Y707-N799 HydrophobicContact CD2-CB 3.2Å; Y707-N799 HydrophobicContact CE1-CB 3.89Å; Y707-N799 HydrophobicContact CE2-CB 3.45Å; Y707-N799 VanDerWaalsContact CE2-CB 3.45Å; Y707-N799 HydrophobicContact CG-CB 3.26Å; Y707-N799 PolarHBondContact OH-O 2.7Å; E797-N799 PolarHBondContact OE2-ND2 3.24Å
800	L	34.4	Very low	34.1	Very low	72 Å²	72	125.6 Å²	125.6	38%	0.377	69%	0.693	S	S	.	*			trans	75.1	145.4	139.4	-75.7	-146	0	0	0	124.8	Y707 S708 S709	Y707-L800 HydrophobicContact CD1-CB 3.53Å; Y707-L800 HydrophobicContact CD1-CD1 3.6Å; Y707-L800 HydrophobicContact CD1-CG 3.48Å; Y707-L800 VanDerWaalsContact CD1-CG 3.48Å; Y707-L800 HydrophobicContact CE1-CB 3.64Å; Y707-L800 HydrophobicContact CE1-CD1 4.41Å; Y707-L800 HydrophobicContact CE1-CG 4.14Å; Y707-L800 HydrophobicContact CG-CB 4.5Å; Y707-L800 HydrophobicContact CG-CD1 4.42Å; Y707-L800 HydrophobicContact CG-CG 4.16Å; S708-L800 WeakPolarHBondContact O-CD1 3.46Å; S709-L800 WeakPolarHBondContact O-CD1 3.41Å; S709-L800 WeakPolarHBondContact O-CD2 3.48Å
801	D	33.9	Very low	34.4	Very low	89 Å²	89	125.8 Å²	125.8	48%	0.476	69%	0.692	S	S	.	*			trans	60	132	155.7	-49.9	-26.2	0	0	0	117.9	K706	K706-D801 IonicContact NZ-OD2 2.67Å; K706-D801 PolarHBondContact NZ-OD2 3.08Å
802	T	37.1	Very low	34.4	Very low	126 Å²	126	124.2 Å²	124.2	77%	0.773	69%	0.685	S	S	*	*			cis	-155.3	174.2	15.3	-17.6	0	0	0	0	112.4
803	D	34.9	Very low	34.6	Very low	117 Å²	117	123.3 Å²	123.3	63%	0.626	69%	0.685	S	S	*	*			trans	-46.4	154.4	-175.4	-49.2	-57.7	0	0	0	119.8
804	S	35.7	Very low	34.6	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	68%	0.683	S	S	*	*				163.9	141.9	106.5	50.2	0	0	0	0	116.9
805	S	32.4	Very low	34.4	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	68%	0.681	S	S	*	*			trans	55.6	162.2	160	61.4	0	0	0	0	119.3
806	C	33.7	Very low	34.4	Very low	116 Å²	116	122.8 Å²	122.8	78%	0.784	69%	0.688	S	S	*	*			cis	-140.4	171	19.8	-52.1	0	0	0	0	113.7
807	D	31.5	Very low	34.4	Very low	140 Å²	140	121.1 Å²	121.1	75%	0.749	68%	0.68	S	S	*	*			trans	-81.4	170.8	-174	-50.3	-96.1	0	0	0	116.7
808	Y	34.3	Very low	34.3	Very low	224 Å²	224	124.5 Å²	124.5	88%	0.878	69%	0.693	S	S	*	*				-171.6	110.3	125.4	-105.1	-69.8	0	0	0	114.5
809	H	36.4	Very low	34.1	Very low	142 Å²	142	123.9 Å²	123.9	66%	0.657	70%	0.703	S	S	*	*			trans	24.6	126.6	147.3	-69	-79.8	0	0	0	123
810	I	36.3	Very low	33.7	Very low	131 Å²	131	128 Å²	128	67%	0.672	72%	0.724	S	S	*	*				74.8	136.3	75.8	-81.9	177.9	0	0	0	113.2
811	P	37.2	Very low	33.6	Very low	105 Å²	105	133.5 Å²	133.5	68%	0.682	74%	0.741	S	S	*	*			cis	-143.9	154.1	41.4	30.1	-5.5	0	0	0	121.4
812	N	35.8	Very low	33.4	Very low	130 Å²	130	135.7 Å²	135.7	70%	0.695	75%	0.753	S	S	*	*				47.3	150.9	121.6	-47.5	-12.7	0	0	0	121.6
813	T	35.6	Very low	33.1	Very low	123 Å²	123	137.9 Å²	137.9	76%	0.755	75%	0.752	S	S	*	*			cis	-173.4	-170.8	4.4	12.7	0	0	0	0	108.3
814	P	33.6	Very low	32.8	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	75%	0.754	S	S	*	*			cis	-116.8	163.6	-48.1	38.5	-25	0	0	0	110.6
815	T	31.6	Very low	32.4	Very low	123 Å²	123	138.8 Å²	138.8	76%	0.755	75%	0.754	S	S	*	*			cis	75.4	100.4	37.8	-44	0	0	0	0	116.5
816	I	31.7	Very low	32.3	Very low	170 Å²	170	139 Å²	139	87%	0.872	75%	0.751	S	S	*	*			trans	-146.3	139.1	139.7	-62.6	-167.7	0	0	0	108.9
817	P	32.6	Very low	32.1	Very low	97 Å²	97	139.5 Å²	139.5	63%	0.63	75%	0.746	S	S	*	*			trans	-129.5	174.5	-173.5	42.5	-27.7	0	0	0	117.3
818	F	29.3	Very low	32	Very low	214 Å²	214	139.3 Å²	139.3	94%	0.939	75%	0.745	S	S	*	*			trans	35.4	131.6	151	-85.1	-83.2	0	0	0	122.5
819	G	31.5	Very low	32	Very low	77 Å²	77	135.2 Å²	135.2	79%	0.794	73%	0.734	S	S	*	*			trans	-171.1	134.6	159.7	0	0	0	0	0	114
820	L	29.1	Very low	31.8	Very low	166 Å²	166	136.2 Å²	136.2	87%	0.869	74%	0.736	S	S	*	*			trans	-106.1	151.5	173	-67.2	164.4	0	0	0	109.8
821	Y	31	Very low	31.6	Very low	188 Å²	188	135.5 Å²	135.5	74%	0.737	74%	0.743	S	S	*	*				-174.8	-174.9	120	-118.1	-101.4	0	0	0	113
822	N	29.7	Very low	31.2	Very low	134 Å²	134	135.7 Å²	135.7	72%	0.717	75%	0.747	S	S	*	*			trans	-101.3	166.9	-157.1	-82.6	-61.8	0	0	0	116.7
823	K	30.7	Very low	31	Very low	173 Å²	173	137.5 Å²	137.5	75%	0.752	76%	0.755	S	S	*	*			trans	82.6	93.3	147.7	-85.9	176.8	179.2	-176.2	0	120.9
824	S	28.5	Very low	30.7	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	76%	0.758	S	S	*	*				69.7	145.5	108	70.5	0	0	0	0	122.4
825	I	28.3	Very low	30.6	Very low	147 Å²	147	140.1 Å²	140.1	75%	0.754	76%	0.764	S	S	*	*			trans	105.3	122	157.8	-61.8	-179.9	0	0	0	116.4
826	T	29	Very low	30.6	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	77%	0.765	S	S	*	*			trans	65	115.3	161.5	53.9	0	0	0	0	122.3
827	N	29.8	Very low	30.3	Very low	126 Å²	126	139.2 Å²	139.2	67%	0.674	76%	0.764	S	S	*	*				87.2	105.9	121.7	-70.4	46.9	0	0	0	122.2
828	D	30.5	Very low	30.1	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	77%	0.767	S	S	*	*				107.1	144.7	111.1	-70.7	-17.5	0	0	0	122.4
829	E	34.2	Very low	30.1	Very low	138 Å²	138	139.4 Å²	139.4	65%	0.645	76%	0.762	S	S	*	*			trans	69.9	83.6	163.2	-58.6	-75	86.2	0	0	120.9
830	K	31.2	Very low	29.8	Very low	163 Å²	163	141.8 Å²	141.8	71%	0.709	76%	0.756	S	S	*	*				50.7	110	120.3	-60.2	163.8	-173.8	149.9	0	121.2
831	S	32.3	Very low	29.9	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	75%	0.75	S	S	*	*				164.6	127.8	115.4	45.6	0	0	0	0	109.8
832	S	29.8	Very low	29.7	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	75%	0.745	S	S	*	*			cis	101.7	93.6	31.3	-70.5	0	0	0	0	113.7
833	I	31.7	Very low	29.8	Very low	168 Å²	168	139.8 Å²	139.8	86%	0.862	75%	0.752	S	S	*	*			trans	-172.9	101.1	150.1	-86.4	139.8	0	0	0	103.2
834	M	27.7	Very low	29.6	Very low	169 Å²	169	138 Å²	138	83%	0.833	75%	0.75	S	S	*	*				74.4	102.4	51	-73.8	-154.7	71.1	0	0	116.8
835	S	32	Very low	29.7	Very low	118 Å²	118	144.8 Å²	144.8	83%	0.825	76%	0.763	S	S	*	*				169.6	144.1	124.4	42.7	0	0	0	0	111.3
836	A	31	Very low	29.8	Very low	95 Å²	95	143 Å²	143	79%	0.785	76%	0.763	S	S	*	*			cis	-159.3	148.5	-25.4	0	0	0	0	0	108.9
837	E	26.1	Very low	29.8	Very low	178 Å²	178	145.6 Å²	145.6	83%	0.832	77%	0.772	S	S	*	*			trans	-118	157.9	175.4	-81.3	-167	135.4	0	0	112.2
838	H	29.5	Very low	29.8	Very low	151 Å²	151	145.3 Å²	145.3	70%	0.699	78%	0.777	S	S	*	*			trans	49.3	133.7	148.8	-84.8	-113.7	0	0	0	121.6
839	I	27.7	Very low	29.6	Very low	165 Å²	165	143.1 Å²	143.1	85%	0.846	78%	0.778	S	S	*	*			trans	-123.8	127.7	147.7	-64.7	179.7	0	0	0	108.1
840	L	26.3	Very low	29.3	Very low	126 Å²	126	142.3 Å²	142.3	66%	0.66	79%	0.786	S	S	*	*			trans	-104.4	152.6	167.1	-93	159.9	0	0	0	109
841	I	30.1	Very low	29.1	Very low	145 Å²	145	142.3 Å²	142.3	74%	0.744	79%	0.794	S	S	*	*			trans	-137.3	111.8	153.9	-59.1	-178.2	0	0	0	106.6
842	D	27.2	Very low	29	Very low	120 Å²	120	141.7 Å²	141.7	64%	0.642	78%	0.784	S	S	*	*			trans	-90.8	159.1	165.9	-76.5	-61.2	0	0	0	110.2
843	H	32.9	Very low	28.8	Very low	182 Å²	182	145.4 Å²	145.4	84%	0.843	79%	0.79	S	S	*	*			trans	-146	116.8	151.9	-90.3	-55.5	0	0	0	108.9
844	D	26.8	Very low	28.8	Very low	135 Å²	135	147.6 Å²	147.6	72%	0.722	79%	0.789	S	S	*	*			trans	-64.1	157.5	174.3	-53.4	-86	0	0	0	112.4
845	Y	30.4	Very low	28.9	Very low	239 Å²	239	143.7 Å²	143.7	94%	0.937	78%	0.783	S	S	*	*				-152.8	148.6	128.7	-93.6	-60.1	0	0	0	111
846	S	29.2	Very low	28.7	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	79%	0.789	S	S	*	*			trans	-83.6	152.6	-159	-47	0	0	0	0	115.5
847	L	29	Very low	28.8	Very low	170 Å²	170	148.3 Å²	148.3	89%	0.89	79%	0.789	S	S	*	*			trans	-69.1	155.9	159.1	-65.3	170.5	0	0	0	111.2
848	P	29.7	Very low	29.1	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	78%	0.783	S	S	*	*				-117.3	151	129.6	34.9	-31.5	0	0	0	111.4
849	A	26.7	Very low	29.1	Very low	89 Å²	89	145.6 Å²	145.6	74%	0.736	79%	0.791	S	S	*	*			trans	-82	151.7	173.6	0	0	0	0	0	111.6
850	C	28.6	Very low	29.4	Very low	121 Å²	121	143.3 Å²	143.3	82%	0.818	79%	0.787	S	S	*	*			trans	-148.6	104	162.5	-101.8	0	0	0	0	109.2
851	D	25.7	Very low	29.6	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	79%	0.794	S	S	*	*			trans	-70.7	126	166.8	-57.8	-74.2	0	0	0	109.5
852	V	31.7	Very low	29.8	Very low	102 Å²	102	146 Å²	146	62%	0.618	80%	0.8	S	S	*	*			trans	-140.4	103.1	169.8	-167	0	0	0	0	110.1	Y854	V852-Y854 HydrophobicContact CG1-CD2 3.58Å; V852-Y854 HydrophobicContact CG1-CE2 3.39Å
853	E	25.7	Very low	29.9	Very low	188 Å²	188	146.3 Å²	146.3	88%	0.879	80%	0.802	S	S	*	*			trans	-67.1	135.1	161.4	-61.1	-177.9	111.4	0	0	109.5
854	Y	31.5	Very low	29.8	Very low	215 Å²	215	142.6 Å²	142.6	84%	0.843	79%	0.792	S	S	*	*			trans	-130.8	109.2	156.7	-91.3	-62.1	0	0	0	111.3	V852	V852-Y854 HydrophobicContact CG1-CD2 3.58Å; V852-Y854 HydrophobicContact CG1-CE2 3.39Å
855	A	29.1	Very low	30.1	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	79%	0.794	S	S	*	*			trans	-73	149.9	176.2	0	0	0	0	0	111.8	V857	A855-V857 PolarHBondContact O-N 2.96Å
856	L	27.9	Very low	30.2	Very low	179 Å²	179	140.1 Å²	140.1	94%	0.937	79%	0.785	S	S	*	*			trans	-67.4	120.7	171.2	-68.4	161.7	0	0	0	110.2
857	V	32.6	Very low	30.4	Very low	131 Å²	131	141.1 Å²	141.1	79%	0.794	78%	0.782	S	S	*	*			trans	-104.9	129.2	166	-178.5	0	0	0	0	108.3	A855	A855-V857 PolarHBondContact O-N 2.96Å
858	P	32.3	Very low	30.6	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-89.7	140.1	-179.4	33.9	-33.3	0	0	0	112.7	P860	P858-P860 WeakPolarHBondContact O-CD 3.31Å
859	D	29.8	Very low	30.9	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.9	131.3	172.6	-65.9	-52.5	0	0	0	112.5
860	P	35.1	Very low	31.2	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-96.7	125.6	163.7	34	-27.6	0	0	0	111.6	P858	P858-P860 WeakPolarHBondContact O-CD 3.31Å
861	I	29.1	Very low	31.6	Very low	157 Å²	157	143.7 Å²	143.7	81%	0.805	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-78.7	126.1	175.5	-58.6	164.7	0	0	0	110.1
862	I	33.9	Very low	31.9	Very low	169 Å²	169	145.2 Å²	145.2	87%	0.867	75%	0.753	S	S	*	*			trans	-138	150.8	160.2	-63.3	-172.8	0	0	0	109.7
863	D	30.2	Very low	32.1	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	76%	0.761	S	S	*	*			trans	-106.7	156	-154.3	-108.6	-53.1	0	0	0	117
864	T	30.3	Very low	32.5	Very low	105 Å²	105	147.5 Å²	147.5	64%	0.644	76%	0.755	S	S	*	*			trans	77.6	133.4	144	54.6	0	0	0	0	125.5
865	K	33.7	Very low	32.6	Very low	173 Å²	173	141.6 Å²	141.6	75%	0.752	75%	0.745	S	S	*	*			trans	84.6	99.9	137.3	-73.5	160.1	-171.9	169.8	0	122.2
866	I	32.6	Very low	32.9	Very low	148 Å²	148	143.3 Å²	143.3	76%	0.759	74%	0.738	S	S	*	*				37.1	118.5	103.6	-54.3	164.4	0	0	0	114.9
867	N	34.2	Very low	33.2	Very low	130 Å²	130	142 Å²	142	70%	0.695	73%	0.725	S	S	*	*				-170.4	144.4	74.6	-151.5	11	0	0	0	115.9
868	N	32.5	Very low	33.3	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	72%	0.72	S	S	*	*			trans	32.7	145.8	144.8	-75.5	-3.9	0	0	0	126.6
869	Q	35	Very low	33.3	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	72%	0.715	S	S	*	*			trans	107	91.7	134.5	-91.8	179.9	-43.8	0	0	123.2
870	D	33.9	Very low	33.3	Very low	121 Å²	121	139.7 Å²	139.7	65%	0.647	71%	0.708	S	S	*	*				96.1	148.9	110.4	-116.1	-40.8	0	0	0	124.3
871	H	36.5	Very low	33.1	Very low	138 Å²	138	141 Å²	141	64%	0.639	70%	0.704	S	S	*	*			trans	72.9	146.7	156.2	-77.3	24.3	0	0	0	121.5
872	R	32.6	Very low	33.2	Very low	194 Å²	194	139.1 Å²	139.1	73%	0.732	69%	0.692	S	S	*	*			cis	-174.8	160.6	-22.2	-151.6	172.4	173.9	-176.1	-2.7	113.5
873	Q	35.5	Very low	33	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	69%	0.685	S	S	*	*			trans	83.9	137.8	162	-51.7	-170.8	18.7	0	0	117.9
874	K	33.2	Very low	33	Very low	172 Å²	172	139.1 Å²	139.1	75%	0.748	68%	0.681	S	S	*	*			cis	96.9	147.4	38.4	-106.9	-162.1	175.7	-142.7	0	112.9	E876	K874-E876 IonicContact NZ-OE1 3.13Å; K874-E876 PolarHBondContact NZ-OE1 3.37Å
875	S	35.3	Very low	33.1	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	68%	0.679	S	S	*	*			cis	-166.6	155.1	17.5	53.5	0	0	0	0	115.2
876	E	34.2	Very low	33.1	Very low	122 Å²	122	137.3 Å²	137.3	57%	0.57	68%	0.676	S	S	*	*			trans	54.9	157.5	133	-63.9	169.7	-132.4	0	0	120.6	K874	K874-E876 IonicContact NZ-OE1 3.13Å; K874-E876 PolarHBondContact NZ-OE1 3.37Å
877	K	34.5	Very low	33.2	Very low	152 Å²	152	135 Å²	135	66%	0.661	67%	0.665	S	S	*	*			cis	-168.4	172.3	12.4	-135.4	163.7	-177.8	142	0	113.8
878	D	35.7	Very low	33.4	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	67%	0.665	S	S	*	*			trans	66.7	153.7	146	-75	-40.8	0	0	0	122.3
879	S	31.5	Very low	33.5	Very low	86 Å²	86	135.8 Å²	135.8	60%	0.601	66%	0.661	S	S	*	*			cis	-170.5	157.7	-25.8	-116	0	0	0	0	114.8
880	L	29.5	Very low	33.4	Very low	138 Å²	138	137 Å²	137	72%	0.723	66%	0.66	S	S	*	*			trans	72	130.5	146	-68	166.6	0	0	0	125.1
881	Q	31.5	Very low	33.4	Very low	146 Å²	146	138.2 Å²	138.2	68%	0.682	67%	0.667	S	S	*	*			trans	74.9	153.7	134.7	-70.4	-179.6	-3.9	0	0	121.3
882	H	31.4	Very low	33.2	Very low	118 Å²	118	134.7 Å²	134.7	55%	0.546	67%	0.667	S	S	.	*			cis	-163.2	153.4	-12.3	-119.9	-36.6	0	0	0	111.2
883	Y	29.1	Very low	33.2	Very low	183 Å²	183	131.4 Å²	131.4	72%	0.718	67%	0.673	S	S	*	*			trans	55.2	152.7	141.1	-73.4	-32.9	0	0	0	122.4
884	N	31.1	Very low	33.1	Very low	112 Å²	112	130.4 Å²	130.4	60%	0.599	67%	0.671	S	S	*	*			cis	-162.5	164.5	-18.1	-135	3	0	0	0	112.9
885	N	32.2	Very low	33.2	Very low	114 Å²	114	127.3 Å²	127.3	61%	0.61	67%	0.669	S	S	*	*			trans	67.4	128.5	141.6	-74.5	0.5	0	0	0	124.6
886	N	32.8	Very low	33	Very low	127 Å²	127	130.4 Å²	130.4	68%	0.679	67%	0.673	S	S	*	*			trans	78.6	147	130.8	-64	14.2	0	0	0	119.1
887	D	35.2	Very low	32.8	Very low	99 Å²	99	129.7 Å²	129.7	53%	0.529	68%	0.677	S	S	.	*			cis	-160.9	154.1	6	-137.7	-25.9	0	0	0	113.7
888	K	37.8	Very low	32.7	Very low	161 Å²	161	128.8 Å²	128.8	70%	0.7	68%	0.684	S	S	*	*			trans	59	155.9	160.4	-64.7	141.3	-171.2	145.7	0	117.2
889	N	34.5	Very low	32.3	Very low	117 Å²	117	132.6 Å²	132.6	63%	0.626	69%	0.689	S	S	*	*			cis	-162	168.6	-17.6	-104	1.2	0	0	0	106.1
890	Y	33.7	Very low	32.3	Very low	189 Å²	189	134.7 Å²	134.7	74%	0.741	70%	0.698	S	S	*	*			cis	-152.6	175.3	6.3	-126.3	-33.5	0	0	0	110.2
891	N	32.6	Very low	32.3	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	70%	0.699	S	S	*	*			trans	-12.1	145	169.5	-61.7	-3.4	0	0	0	121.7
892	G	33.1	Very low	32.6	Very low	63 Å²	63	132 Å²	132	65%	0.649	70%	0.701	S	S	*	*			cis	169.5	176	-3	0	0	0	0	0	115.9
893	C	32.5	Very low	33.2	Very low	125 Å²	125	131.7 Å²	131.7	85%	0.845	71%	0.71	S	S	*	*			trans	64.4	104.2	177.5	-62.2	0	0	0	0	116
894	I	33.1	Very low	33.4	Very low	147 Å²	147	129 Å²	129	75%	0.754	72%	0.715	S	S	*	*			cis	64.8	137.5	17.7	-53.1	174.9	0	0	0	112.2
895	P	36.5	Very low	33.3	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	72%	0.723	S	S	*	*			cis	-124.2	-174.6	10.4	18.4	7.7	0	0	0	114.4
896	E	30.3	Very low	33.2	Very low	156 Å²	156	133.7 Å²	133.7	73%	0.729	74%	0.738	S	S	*	*			cis	-161.9	147.8	-27.6	-102.5	174.7	106.7	0	0	107.6
897	V	29.9	Very low	33.1	Very low	107 Å²	107	135.9 Å²	135.9	65%	0.648	74%	0.744	S	S	*	*				54.5	125.3	82.8	-166.7	0	0	0	0	112.2
898	V	32.2	Very low	33.1	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	75%	0.752	S	S	*	*			cis	-140.4	139.7	47.8	174.3	0	0	0	0	109.1
899	R	27	Very low	32.8	Very low	209 Å²	209	137.8 Å²	137.8	79%	0.789	76%	0.761	S	S	*	*			cis	83.5	102	37.2	-81.2	-158.6	178.1	-142.3	1.4	118.5
900	T	31.2	Very low	32.5	Very low	129 Å²	129	139.7 Å²	139.7	79%	0.791	77%	0.77	S	S	*	*			trans	69.6	162	147.1	61.1	0	0	0	0	119.6
901	P	30	Very low	32.4	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	78%	0.778	S	S	*	*			cis	-127.3	173.5	-5.1	41.2	-26.7	0	0	0	115.8
902	P	37.7	Very low	32.1	Very low	112 Å²	112	137.7 Å²	137.7	73%	0.727	77%	0.774	S	S	*	*			trans	-108.4	-173.2	162	41.6	-33.1	0	0	0	112.2
903	P	44.6	Very low	32	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	78%	0.778	S	S	*	*			cis	-109.5	-147.1	-48	29.6	-9.4	0	0	0	109.5
904	P	32.6	Very low	31.7	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	77%	0.774	S	S	*	*				-143.1	165.5	89	39.3	-24.9	0	0	0	115.7
905	L	30.1	Very low	31.4	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	78%	0.775	S	S	*	*			trans	-78	150.3	167.7	-64.9	161.2	0	0	0	111
906	L	29.3	Very low	30.9	Very low	178 Å²	178	144.3 Å²	144.3	93%	0.932	78%	0.775	S	S	*	*			trans	-144.5	150.1	145.9	-96.8	177.9	0	0	0	109.8
907	H	30.3	Very low	30.6	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.796	78%	0.776	S	S	*	*			trans	-95.7	170.5	-168.3	-109.4	-117.3	0	0	0	113.2
908	P	36.4	Very low	30.5	Very low	107 Å²	107	144.2 Å²	144.2	70%	0.695	78%	0.783	S	S	*	*			trans	-92.2	158.9	-169.9	37.1	-34.9	0	0	0	113.7
909	E	30.9	Very low	30.3	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	78%	0.783	S	S	*	*			trans	-133.4	159.5	158.6	-75.2	-159.3	140.8	0	0	111.5
910	I	28.8	Very low	30.5	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	79%	0.786	S	S	*	*			trans	-103.3	135.1	-174.5	-62.1	164.5	0	0	0	109.3
911	Q	31.3	Very low	30.4	Very low	193 Å²	193	143.3 Å²	143.3	90%	0.902	78%	0.781	S	S	*	*			trans	-150.1	152.1	153.4	-124.2	163.1	72.1	0	0	111.9
912	S	27.3	Very low	30.6	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	79%	0.787	S	S	*	*			trans	-123.7	171.2	-167.6	58.9	0	0	0	0	112.1
913	S	29.4	Very low	30.2	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	78%	0.779	S	S	*	*			trans	86.5	159.5	167.4	83.7	0	0	0	0	119.3
914	I	27.6	Very low	29.7	Very low	148 Å²	148	145.6 Å²	145.6	76%	0.759	79%	0.788	S	S	*	*			trans	78.9	91.9	165.5	-57	174.2	0	0	0	118.2
915	F	25.9	Very low	29.4	Very low	176 Å²	176	148.7 Å²	148.7	77%	0.772	79%	0.788	S	S	*	*				56.6	124.8	126.8	-85.9	-107.5	0	0	0	123.6
916	E	26	Very low	29.5	Very low	152 Å²	152	149.5 Å²	149.5	71%	0.71	79%	0.791	S	S	*	*			trans	67.3	135.8	132.6	-77.3	-173.6	157.5	0	0	125.1
917	L	25.2	Very low	29.6	Very low	143 Å²	143	150.3 Å²	150.3	75%	0.749	79%	0.787	S	S	*	*			trans	52.7	101.3	139.3	-62.8	168.8	0	0	0	119.9
918	C	27.1	Very low	29.5	Very low	117 Å²	117	148.6 Å²	148.6	79%	0.791	78%	0.784	S	S	*	*			trans	-141	75.7	145.9	-99.6	0	0	0	0	111.7
919	A	27.9	Very low	29.3	Very low	96 Å²	96	151.4 Å²	151.4	79%	0.793	79%	0.793	S	S	*	*			trans	-81.5	135.5	147.8	0	0	0	0	0	107.7
920	R	31.1	Very low	29.1	Very low	229 Å²	229	151 Å²	151	86%	0.864	79%	0.789	S	S	*	*			trans	-141.4	125.1	168.6	-89	-169.6	164.8	132.8	0.5	110.7
921	D	30.1	Very low	29.2	Very low	127 Å²	127	151.8 Å²	151.8	68%	0.679	79%	0.794	S	S	*	*			trans	-66.5	156.7	175.1	-78.8	-54.6	0	0	0	112.6
922	S	32.8	Very low	29	Very low	127 Å²	127	147.2 Å²	147.2	89%	0.888	78%	0.783	S	S	*	*			trans	-133.4	106	149.7	45.9	0	0	0	0	108.3
923	A	28.7	Very low	29.2	Very low	68 Å²	68	150.5 Å²	150.5	56%	0.562	79%	0.793	S	S	*	*			trans	-107.1	134.5	-170.4	0	0	0	0	0	111.8
924	H	34.5	Very low	29.2	Very low	194 Å²	194	150.5 Å²	150.5	90%	0.898	79%	0.793	S	S	*	*			trans	-138.9	108	161.8	-103.4	-80.3	0	0	0	111
925	K	27.5	Very low	29.5	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	79%	0.789	S	S	*	*			trans	-79	128.5	165.2	-69	174.1	176.8	172.5	0	109.2
926	I	31.8	Very low	29.9	Very low	164 Å²	164	148.2 Å²	148.2	84%	0.841	79%	0.792	S	S	*	*			trans	-129.3	151.8	143.9	-64.8	-171.5	0	0	0	108
927	K	31.3	Very low	29.9	Very low	196 Å²	196	148.6 Å²	148.6	85%	0.852	80%	0.797	S	S	*	*			trans	-70.8	163.2	-157.6	-62.8	167.5	178.9	174	0	114.6
928	N	27.4	Very low	30.3	Very low	135 Å²	135	147.7 Å²	147.7	72%	0.722	80%	0.799	S	S	*	*			trans	-48.9	154.5	159.1	-48.9	-21.9	0	0	0	111.5
929	D	32.4	Very low	30.5	Very low	167 Å²	167	147.4 Å²	147.4	89%	0.893	80%	0.799	S	S	*	*			trans	-138.1	150	130.4	-108.1	-42	0	0	0	110.5
930	F	27.4	Very low	30.6	Very low	184 Å²	184	149.4 Å²	149.4	81%	0.807	80%	0.801	S	S	*	*			trans	-83.6	145.6	176.8	-82.5	-116	0	0	0	110
931	L	31.3	Very low	30.6	Very low	175 Å²	175	143.4 Å²	143.4	92%	0.916	79%	0.794	S	S	*	*				-168.6	131.3	125.2	-104.8	163.6	0	0	0	111.4
932	S	26.4	Very low	30.4	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	79%	0.79	S	S	*	*			trans	-91.7	142.1	177	54.1	0	0	0	0	111.7
933	N	31.1	Very low	30.4	Very low	170 Å²	170	145.8 Å²	145.8	91%	0.909	79%	0.785	S	S	*	*			trans	-156.4	152.9	140.1	-104.6	-35.2	0	0	0	111.9
934	S	30.6	Very low	30.4	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	79%	0.791	S	S	*	*			trans	-109.5	159.7	-168.5	63	0	0	0	0	112.9
935	S	32.3	Very low	30.3	Very low	97 Å²	97	147 Å²	147	68%	0.678	78%	0.784	S	S	*	*				176.9	166.8	124.4	42.9	0	0	0	0	112.9
936	H	34.7	Very low	30.3	Very low	179 Å²	179	142 Å²	142	83%	0.829	77%	0.772	S	S	*	*			trans	79.3	104.7	170.5	-59.9	-71.3	0	0	0	119.1
937	I	27.3	Very low	30.2	Very low	160 Å²	160	143.7 Å²	143.7	82%	0.821	77%	0.768	S	S	*	*			trans	-127.7	137.9	168.9	-66.5	167.4	0	0	0	107.5
938	P	33.1	Very low	30.1	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-92.8	143	157.3	-5.1	24.9	0	0	0	111.4
939	S	30.8	Very low	30	Very low	112 Å²	112	143 Å²	143	78%	0.783	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-81.8	147.9	-168	54.3	0	0	0	0	115.8
940	V	30.4	Very low	30	Very low	138 Å²	138	146.9 Å²	146.9	84%	0.836	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-103.7	127	155.7	177	0	0	0	0	108.6
941	S	30.5	Very low	30	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-93.7	123.4	-179.5	46.5	0	0	0	0	112.3
942	Y	26.9	Very low	30.2	Very low	154 Å²	154	141.3 Å²	141.3	60%	0.604	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-73.8	137.7	163.6	-92	-114.1	0	0	0	110	N309	N309-Y942 VanDerWaalsContact ND2-CE2 3.26Å; N309-Y942 WeakPolarHBondContact ND2-CE2 3.46Å; N309-Y942 PolarHBondContact ND2-OH 3.25Å; N309-Y942 PolarHBondContact OD1-OH 2.95Å
943	I	31.8	Very low	30.4	Very low	151 Å²	151	144.5 Å²	144.5	77%	0.774	77%	0.773	S	S	*	*			trans	-124.5	110.9	158.1	-62	-178.4	0	0	0	107.9
944	H	29.7	Very low	30.6	Very low	151 Å²	151	141.9 Å²	141.9	70%	0.699	77%	0.768	S	S	*	*			trans	-117.3	110.5	170.7	171.9	-72.3	0	0	0	108
945	N	32.1	Very low	30.6	Very low	137 Å²	137	146 Å²	146	73%	0.733	77%	0.773	S	S	*	*			trans	-140.2	92.1	174.3	-92.2	-38	0	0	0	110.6
946	S	27.6	Very low	30.7	Very low	83 Å²	83	149.2 Å²	149.2	58%	0.58	78%	0.783	S	S	*	*			trans	-71	147.5	146.2	53.9	0	0	0	0	109
947	W	29.9	Very low	30.4	Very low	201 Å²	201	144.9 Å²	144.9	76%	0.761	77%	0.772	S	S	*	*			trans	-171.4	132.3	147.7	-96.3	119.3	0	0	0	112.7
948	R	29.2	Very low	30.4	Very low	195 Å²	195	147.6 Å²	147.6	74%	0.736	77%	0.772	S	S	*	*			trans	64.1	103.1	151.6	-56.1	-178.3	-172.9	-94.4	-8.6	119
949	S	25.2	Very low	30.3	Very low	120 Å²	120	149.2 Å²	149.2	84%	0.839	77%	0.769	S	S	*	*			trans	-53.2	146.8	140.2	-41.5	0	0	0	0	111.1
950	R	30.8	Very low	30.3	Very low	249 Å²	249	149.8 Å²	149.8	94%	0.94	77%	0.77	S	S	*	*			trans	-135.2	118.7	157.7	-130.7	-176.3	-164.9	-148.9	4.5	108.8
951	T	28.5	Very low	30.4	Very low	132 Å²	132	146.5 Å²	146.5	81%	0.81	76%	0.764	S	S	*	*			trans	-90.3	134.9	170.5	47.3	0	0	0	0	109.3
952	S	34.7	Very low	30.4	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	77%	0.773	S	S	*	*			trans	-154.8	110.8	161.5	51.8	0	0	0	0	108.3
953	D	31.4	Very low	30.6	Very low	164 Å²	164	150.7 Å²	150.7	88%	0.877	79%	0.787	S	S	*	*			trans	-68.2	137.5	-178	-49.8	-97	0	0	0	111.5
954	S	35.9	Very low	30.4	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	79%	0.794	S	S	*	*			trans	-145	140.1	144.8	41.4	0	0	0	0	107.7
955	K	30.6	Very low	30.5	Very low	191 Å²	191	151.3 Å²	151.3	83%	0.83	80%	0.796	S	S	*	*			trans	-80.3	147.6	169.5	-58.4	170.5	-176.1	173.6	0	107.2
956	D	33	Very low	30.3	Very low	166 Å²	166	152.2 Å²	152.2	89%	0.888	80%	0.8	S	S	*	*				-165.3	175.6	115	-88.6	-22.9	0	0	0	109.3
957	S	29.9	Very low	30.5	Very low	87 Å²	87	153.5 Å²	153.5	61%	0.608	81%	0.809	S	S	*	*			trans	-147.5	148	-151.9	56	0	0	0	0	114.2
958	W	26.6	Very low	30.5	Very low	218 Å²	218	150.7 Å²	150.7	83%	0.826	82%	0.815	S	S	*	*			trans	67.6	161.8	178.7	-45.8	92.4	0	0	0	114.2
959	H	30	Very low	30.7	Very low	157 Å²	157	146 Å²	146	73%	0.727	81%	0.811	S	S	*	*			cis	-132.3	161.8	-4.7	-104.8	-74.8	0	0	0	109
960	P	31.2	Very low	31	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	81%	0.813	S	S	*	*			trans	-86.4	130.2	173.7	33.6	-31.2	0	0	0	112.4
961	G	32	Very low	31.2	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	79%	0.793	S	S	*	*			trans	168.4	144.3	170.6	0	0	0	0	0	113
962	L	30.7	Very low	31.4	Very low	173 Å²	173	137.2 Å²	137.2	91%	0.906	78%	0.783	S	S	*	*			trans	55.4	102.4	171.1	-59	174	0	0	0	117.4
963	L	31	Very low	31.4	Very low	171 Å²	171	141.5 Å²	141.5	90%	0.895	78%	0.782	S	S	*	*				-170.8	92	124	-102.4	168.6	0	0	0	109.2
964	F	28.1	Very low	31.5	Very low	210 Å²	210	142.7 Å²	142.7	92%	0.921	78%	0.775	S	S	*	*			trans	-96.7	136.8	161.7	-86.3	-85.6	0	0	0	108.5
965	S	31.7	Very low	31.5	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	76%	0.759	S	S	*	*			trans	-152.2	139.7	162	53.2	0	0	0	0	108.2
966	D	28.5	Very low	31.9	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	74%	0.742	S	S	*	*			trans	-75.7	143.6	-151.5	-63.2	-84.2	0	0	0	116.4
967	S	32.3	Very low	32	Very low	110 Å²	110	131 Å²	131	77%	0.769	72%	0.717	S	S	*	*			trans	-144.2	103.2	155.8	57.6	0	0	0	0	110.4	S969	S967-S969 PolarHBondContact O-N 3.44Å; S967-S969 VanDerWaalsContact O-N 3.09Å
968	T	30.1	Very low	32.5	Very low	142 Å²	142	130.8 Å²	130.8	87%	0.871	71%	0.712	S	S	*	*			trans	-77	93.6	-177.3	42.2	0	0	0	0	111.3
969	S	32.9	Very low	32.9	Very low	95 Å²	95	126 Å²	126	66%	0.664	70%	0.702	S	S	*	*			trans	-134.5	113.1	177.4	-174.8	0	0	0	0	112.5	S967 D971	S967-S969 PolarHBondContact O-N 3.44Å; S967-S969 VanDerWaalsContact O-N 3.09Å; S969-D971 VanDerWaalsContact C-N 3.34Å; S969-D971 PolarHBondContact O-N 3.5Å
970	P	30.6	Very low	33.5	Very low	136 Å²	136	120.8 Å²	120.8	88%	0.883	68%	0.677	S	S	*	*			trans	-87.9	44.1	-174.8	35.6	-36.3	0	0	0	114.6	S972	P970-S972 VanDerWaalsContact C-N 3.3Å; P970-S972 PolarHBondContact O-N 3.03Å
971	D	34.6	Very low	33.9	Very low	94 Å²	94	120.7 Å²	120.7	50%	0.503	66%	0.661	S	S	.	*			trans	-89.7	50.7	174.4	-167	17.4	0	0	0	112.9	S969 R973	S969-D971 VanDerWaalsContact C-N 3.34Å; S969-D971 PolarHBondContact O-N 3.5Å; D971-R973 PolarHBondContact O-N 2.71Å; D971-R973 VanDerWaalsContact O-N 3.13Å; D971-R973 WeakPolarHBondContact OD1-CG 3.34Å; D971-R973 IonicContact OD1-NE 3.5Å; D971-R973 PolarHBondContact OD1-NE 3.44Å; D971-R973 VanDerWaalsContact OD1-NE 3.08Å; D971-R973 IonicContact OD2-CZ 2.71Å; D971-R973 VanDerWaalsContact OD2-CZ 3.28Å; D971-R973 IonicContact OD2-NE 3.62Å; D971-R973 PolarHBondContact OD2-NE 3.03Å; D971-R973 IonicContact OD2-NH2 3.61Å; D971-R973 PolarHBondContact OD2-NH2 3.43Å
972	S	33.9	Very low	34.9	Very low	87 Å²	87	121.7 Å²	121.7	61%	0.608	65%	0.652	S	S	*	*			trans	-81.1	89	173.5	-163.8	0	0	0	0	110.5	P970 R974	P970-S972 VanDerWaalsContact C-N 3.3Å; P970-S972 PolarHBondContact O-N 3.03Å; S972-R974 VanDerWaalsContact C-N 3.25Å; S972-R974 PolarHBondContact O-N 3.13Å
973	R	34.1	Very low	35.6	Very low	201 Å²	201	114.5 Å²	114.5	76%	0.758	62%	0.621	S	S	*	*			trans	-70.3	72.4	-177.6	-58.5	-175	-169	173.3	9.6	112.8	D971 L975	D971-R973 PolarHBondContact O-N 2.71Å; D971-R973 VanDerWaalsContact O-N 3.13Å; D971-R973 WeakPolarHBondContact OD1-CG 3.34Å; D971-R973 IonicContact OD1-NE 3.5Å; D971-R973 PolarHBondContact OD1-NE 3.44Å; D971-R973 VanDerWaalsContact OD1-NE 3.08Å; D971-R973 IonicContact OD2-CZ 2.71Å; D971-R973 VanDerWaalsContact OD2-CZ 3.28Å; D971-R973 IonicContact OD2-NE 3.62Å; D971-R973 PolarHBondContact OD2-NE 3.03Å; D971-R973 IonicContact OD2-NH2 3.61Å; D971-R973 PolarHBondContact OD2-NH2 3.43Å; R973-L975 PolarHBondContact O-N 2.94Å
974	R	33.8	Very low	35.9	Very low	190 Å²	190	111.9 Å²	111.9	72%	0.717	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-74.7	118.9	-178.9	-73	-179.1	167.1	-168.1	-7	111.5	S972	S972-R974 VanDerWaalsContact C-N 3.25Å; S972-R974 PolarHBondContact O-N 3.13Å
975	L	35.9	Very low	36.4	Very low	90 Å²	90	110.8 Å²	110.8	47%	0.471	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-82.2	126	-175.3	-72.2	164.2	0	0	0	112.3	R973 P992 L995	R973-L975 PolarHBondContact O-N 2.94Å; L975-P992 HydrophobicContact CD2-CG 3.7Å; L975-L995 HydrophobicContact CD1-CD2 3.47Å; L975-L995 VanDerWaalsContact CD1-CD2 3.47Å; L975-L995 HydrophobicContact CD1-CG 4.38Å
976	T	38.5	Very low	36.5	Very low	79 Å²	79	112 Å²	112	49%	0.485	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-76.4	130.2	164.9	-57.6	0	0	0	0	109.6
977	V	35.1	Very low	36.9	Very low	58 Å²	58	109 Å²	109	35%	0.352	58%	0.58	S	S	.	*			trans	-124.8	124	-174.1	175.5	0	0	0	0	109.5	I989	V977-I989 HydrophobicContact CG1-CG2 3.26Å
978	T	40	Very low	37.4	Very low	82 Å²	82	109.2 Å²	109.2	50%	0.503	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	132.5	175	1.7	0	0	0	0	110.3	S990	T978-S990 WeakPolarHBondContact CB-OG 3.3Å; T978-S990 PolarHBondContact O-N 3.31Å; T978-S990 PolarHBondContact O-OG 3.29Å; T978-S990 PolarHBondContact OG1-OG 3.44Å
979	L	36.2	Very low	38	Very low	117 Å²	117	107.2 Å²	107.2	61%	0.613	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	175	-77.4	166.8	0	0	0	109.6	I989	L979-I989 HydrophobicContact CD2-CG1 3.92Å
980	K	42.2	Very low	38.7	Very low	48 Å²	48	104.8 Å²	104.8	21%	0.209	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.7	179.2	177.1	177.3	175.5	176.8	0	110.9	T243 H244 N249 V982 Y987 Q988	T243-K980 HydrophobicContact CG2-CD 3.91Å; T243-K980 VanDerWaalsContact CG2-NZ 3.26Å; H244-K980 VanDerWaalsContact NE2-CE 3.27Å; H244-K980 WeakPolarHBondContact NE2-CE 3.36Å; N249-K980 WeakPolarHBondContact OD1-CE 3.48Å; N249-K980 PolarHBondContact OD1-NZ 3.1Å; K980-V982 PolarHBondContact O-N 3.04Å; K980-Y987 CarbonylContact O-C 3.38Å; K980-Y987 WeakPolarHBondContact O-CA 3.34Å; K980-Q988 PolarHBondContact N-O 3.37Å; K980-Q988 PolarHBondContact O-N 3.16Å
981	R	39.5	Very low	39.2	Very low	121 Å²	121	103.6 Å²	103.6	46%	0.457	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.6	170.8	-172.6	177.6	-86.6	-155.1	-2.4	109.8	G983 H986 Y987	R981-G983 WeakPolarHBondContact CD-O 3.41Å; R981-G983 WeakPolarHBondContact CG-O 3.31Å; R981-H986 CarbonylContact C-O 3.53Å; R981-H986 WeakPolarHBondContact CA-O 3.45Å; R981-Y987 HydrophobicContact CB-CD1 4.11Å; R981-Y987 HydrophobicContact CB-CE1 3.89Å; R981-Y987 HydrophobicContact CG-CE1 4.44Å; R981-Y987 PolarHBondContact NE-OH 3.47Å; R981-Y987 VanDerWaalsContact NE-OH 3.1Å; R981-Y987 PolarHBondContact NH2-OH 3.19Å
982	V	54.1	Low	39.5	Very low	89 Å²	89	101 Å²	101	54%	0.539	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-10	179.9	-139.6	0	0	0	0	112.6	K980 H986 Q988	K980-V982 PolarHBondContact O-N 3.04Å; V982-H986 HydrophobicContact CB-CB 4.45Å; V982-H986 PolarHBondContact N-O 2.78Å; V982-Q988 HydrophobicContact CG2-CB 3.54Å
983	G	44.4	Very low	39.8	Very low	23 Å²	23	102 Å²	102	24%	0.237	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	179.2	176.8	0	0	0	0	0	110.8	R981 K985 H986	R981-G983 WeakPolarHBondContact CD-O 3.41Å; R981-G983 WeakPolarHBondContact CG-O 3.31Å; G983-K985 PolarHBondContact O-N 3.17Å; G983-H986 PolarHBondContact N-O 3.17Å; G983-H986 PolarHBondContact O-N 3.17Å; G983-H986 VanDerWaalsContact O-N 3.15Å
984	P	38.1	Very low	39.8	Very low	116 Å²	116	99.5 Å²	99.5	75%	0.753	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.2	-170.2	-28.6	36	0	0	0	116.1
985	K	37.6	Very low	39.7	Very low	187 Å²	187	94.7 Å²	94.7	81%	0.813	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	17.5	178.8	-61.6	-172.7	177.5	-176.9	0	113.8	G983	G983-K985 PolarHBondContact O-N 3.17Å
986	H	34.7	Very low	39.3	Very low	130 Å²	130	98.3 Å²	98.3	60%	0.602	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	-172.2	-65.2	115	0	0	0	112.2	R981 V982 G983	R981-H986 CarbonylContact C-O 3.53Å; R981-H986 WeakPolarHBondContact CA-O 3.45Å; V982-H986 HydrophobicContact CB-CB 4.45Å; V982-H986 PolarHBondContact N-O 2.78Å; G983-H986 PolarHBondContact N-O 3.17Å; G983-H986 PolarHBondContact O-N 3.17Å; G983-H986 VanDerWaalsContact O-N 3.15Å
987	Y	37.5	Very low	39	Very low	94 Å²	94	101.5 Å²	101.5	37%	0.369	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.3	174.4	-70.9	-99.7	0	0	0	110.1	S635 K980 R981	S635-Y987 PolarHBondContact OG-OH 2.82Å; K980-Y987 CarbonylContact O-C 3.38Å; K980-Y987 WeakPolarHBondContact O-CA 3.34Å; R981-Y987 HydrophobicContact CB-CD1 4.11Å; R981-Y987 HydrophobicContact CB-CE1 3.89Å; R981-Y987 HydrophobicContact CG-CE1 4.44Å; R981-Y987 PolarHBondContact NE-OH 3.47Å; R981-Y987 VanDerWaalsContact NE-OH 3.1Å; R981-Y987 PolarHBondContact NH2-OH 3.19Å
988	Q	41.6	Very low	38.8	Very low	115 Å²	115	109.2 Å²	109.2	54%	0.537	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	133.6	170.4	179.8	173.5	6.9	0	0	108.9	K980 V982	K980-Q988 PolarHBondContact N-O 3.37Å; K980-Q988 PolarHBondContact O-N 3.16Å; V982-Q988 HydrophobicContact CG2-CB 3.54Å
989	I	43.6	Very low	38.7	Very low	99 Å²	99	110.6 Å²	110.6	51%	0.508	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	121.3	175	-48.6	-177.9	0	0	0	107.7	V977 L979 Q991	V977-I989 HydrophobicContact CG1-CG2 3.26Å; L979-I989 HydrophobicContact CD2-CG1 3.92Å; I989-Q991 HydrophobicContact CG2-CG 3.79Å
990	S	47.2	Very low	38.9	Very low	45 Å²	45	110.3 Å²	110.3	32%	0.315	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.8	100.7	165.1	45.3	0	0	0	0	110	T978	T978-S990 WeakPolarHBondContact CB-OG 3.3Å; T978-S990 PolarHBondContact O-N 3.31Å; T978-S990 PolarHBondContact O-OG 3.29Å; T978-S990 PolarHBondContact OG1-OG 3.44Å
991	Q	40.6	Very low	38.7	Very low	111 Å²	111	113.7 Å²	113.7	52%	0.519	57%	0.574	S	S	.	*			trans	-92.6	146.8	167.8	-63.8	-179.6	-26.2	0	0	109.9	I989	I989-Q991 HydrophobicContact CG2-CG 3.79Å
992	P	41.5	Very low	38.7	Very low	39 Å²	39	113.3 Å²	113.3	25%	0.253	58%	0.581	S	S	.	*			trans	-62.6	155.2	163.7	27.6	-31.6	0	0	0	110	E212 L975 R994	E212-P992 WeakPolarHBondContact OE2-CB 3.44Å; L975-P992 HydrophobicContact CD2-CG 3.7Å; P992-R994 PolarHBondContact O-N 2.69Å
993	S	39.3	Very low	37.7	Very low	107 Å²	107	114.8 Å²	114.8	75%	0.748	58%	0.584	S	S	*	*	S	Bend	trans	-72.8	12.1	-160.4	-41.6	0	0	0	0	116
994	R	35.2	Very low	37.2	Very low	149 Å²	149	120.9 Å²	120.9	56%	0.562	61%	0.607	S	S	*	*			trans	-149	100.5	-178.8	-78.7	179.5	160.3	179.4	-10.1	109.9	P992 F996	P992-R994 PolarHBondContact O-N 2.69Å; R994-F996 HydrophobicContact CB-CE2 4.49Å; R994-F996 HydrophobicContact CG-CE2 4.48Å
995	L	30.7	Very low	37.2	Very low	89 Å²	89	121.3 Å²	121.3	47%	0.466	60%	0.596	S	S	.	*			trans	-85.1	119.9	151.1	-87.7	166.2	0	0	0	107.5	L975	L975-L995 HydrophobicContact CD1-CD2 3.47Å; L975-L995 VanDerWaalsContact CD1-CD2 3.47Å; L975-L995 HydrophobicContact CD1-CG 4.38Å
996	F	29	Very low	37.1	Very low	167 Å²	167	116.2 Å²	116.2	73%	0.732	58%	0.58	S	S	*	*			trans	-101.1	115.9	154.4	-78.4	-81.5	0	0	0	106.5	R994	R994-F996 HydrophobicContact CB-CE2 4.49Å; R994-F996 HydrophobicContact CG-CE2 4.48Å
997	I	31.8	Very low	37.3	Very low	146 Å²	146	115.1 Å²	115.1	75%	0.749	58%	0.578	S	S	*	*			trans	-101.2	119.1	164	-58.2	172.6	0	0	0	104.3
998	N	30.5	Very low	37.3	Very low	220 Å²	220	117 Å²	117	100%	1.176	60%	0.597	S	S	*	*			trans	-94.7	0	161	-79.1	9.6	0	0	0	107.9

Retrieved 998 of 998 residues in 449.8 ms (Link to these results)

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