A0A096MQ31_PAPAN Loading...

Zinc finger and BTB domain-containing protein 11

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096MQ31, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB11, Length 1,052 aa.

						>A0A096MQ31_PAPAN|A0A096MQ31|ZBTB11
MSSEESYRAILRYLTNEREPYAPGTEGNVKRKIRKAAACYVVRGGTLYYQRRQRHRKTFAELEVVLQPERRRDLIEAAHLGPGGTHHTRHQTWHYLSKTYWWRGILKQVKDYIKQCSKCQEKLDRSRPISDVSEMLEELGLDLESGEESNESEDDMSNFTSSPTTASKPVKKKPVSKHELVFVDTKGVVKRSSPKHCQAVLKQLNEQRLSNQFCDVTLLIEGEEYKAHKSVLSANSEYFRDLFIEKGAVSSHEAVVDLSGFCKASFLPLLEFAYTSVLSFDFCSMADVAILARHLFMSEVLEICESVHKLMEEKQLTVYKKGEVQTVASTQDLPVQNGGTAPPVASNEGTTTLSTELGDCEIVLLVNGELPEAEQNGELGRQPEPQVSSEAEAALSSVGCIADSHPAMKSVDLITKNNQTKLETSNNRDNNTVSNIYPKLSKENVISSSPEDSGMGNDISAEDICAEDIPKRRQNVDQPLKDQENLVASTAKTDFGPDEDTYRSRLRQRSVNEGAYIRLHKGMEKKLQKRKAIPKSAVQQVAQKLVQRGKKMKQPKRDAKENTEEASHKCGECGMVFQRRYALIMHKLKHERARDYKCPLCKKQFQYSASLRAHLIRHTRKDAPSSSSSNSASNEASGTSSEKGRTKREFICSICGRTLPKLYSLRIHMLKHTGVKPHACQVCGKTFIYKHGLKLHQSLHQSQKQFQCELCVKSFVTKRSLQEHMSIHTGESKYLCSVCGKSFHRGSGLSKHFKKHQPKPEVRGYHCTQCEKSFFEARDLRQHMNKHLGVKPFQCQFCDKCYSWKKDWYSHVKSHSVTEPYRCNICGKEFYEKALFRRHVKKATHGKKGRAKQNLERVCEKCGRKFTQLREYRRHMNNHEGVKPFECLTCGVAWADARSLKRHVRTHTGERPYVCPVCSEAYIDARTLRKHMTKFHRDYVPCKIMLEKDTLQFHNQGTQVAHAVSILTADMQEQESSGPQELETVVVTGETMEALEAVAATEEYPSVSTLSDQSIMQVVNYVLAQQQGQKLSEVAEAIQTVKVEVAHISEGE
					

Structure Viewer

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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	52.4	Low	58.4	Low	96 Å²	96	69.5 Å²	69.5	47%	0.473	36%	0.362	S	S	.	.				0	70.5	0	-46.5	-40.6	-73	0	0	106.7	I10 R103	M1-I10 HydrophobicContact CE-CD1 3.95Å; M1-R103 WeakPolarHBondContact O-CD 3.24Å
2	S	39.1	Very low	59.2	Low	117 Å²	117	71.6 Å²	71.6	82%	0.818	36%	0.361	S	S	*	.			trans	-161	3.1	-161.9	40.6	0	0	0	0	111.6
3	S	51.2	Low	59.9	Low	46 Å²	46	73 Å²	73	32%	0.322	36%	0.36	S	S	.	.	S	Bend	trans	-118.3	153.3	169.5	69.4	0	0	0	0	108.7	E5 S6	S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 WeakPolarHBondContact CB-OE2 3.48Å; S3-E5 PolarHBondContact O-N 3.23Å; S3-E5 PolarHBondContact OG-OE2 3.19Å; S3-S6 VanDerWaalsContact O-CB 3.27Å; S3-S6 WeakPolarHBondContact O-CB 3.29Å; S3-S6 PolarHBondContact O-N 3.43Å; S3-S6 PolarHBondContact OG-OG 3.37Å; S3-S6 VanDerWaalsContact OG-OG 3.06Å
4	E	54.9	Low	60.4	Low	97 Å²	97	71.7 Å²	71.7	45%	0.453	36%	0.355	S	S	.	.	S	Bend	trans	-69.4	-27.4	178.8	-162.9	-176.7	124.5	0	0	112.4	S6 Y7 R8	E4-S6 PolarHBondContact O-N 3.36Å; E4-Y7 HydrophobicContact CG-CD1 4.41Å; E4-Y7 CarbonylContact O-C 3.19Å; E4-Y7 WeakPolarHBondContact O-CA 3.07Å; E4-Y7 VanDerWaalsContact O-CB 3.27Å; E4-Y7 WeakPolarHBondContact O-CB 3.48Å; E4-Y7 PolarHBondContact O-N 3.13Å; E4-R8 HydrophobicContact CG-CG 4.49Å; E4-R8 PolarHBondContact O-N 2.93Å; E4-R8 IonicContact OE1-CZ 2.64Å; E4-R8 IonicContact OE1-NE 3.16Å; E4-R8 PolarHBondContact OE1-NE 3.46Å; E4-R8 IonicContact OE1-NH2 3.83Å; E4-R8 PolarHBondContact OE1-NH2 3.36Å
5	E	55.8	Low	60.8	Low	140 Å²	140	70.7 Å²	70.7	65%	0.654	36%	0.355	S	S	*	.	H	α-helix	trans	-60.4	-37.3	174.8	-37.1	137.3	122.1	0	0	110.5	S3 Y7 R8 A9	S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 WeakPolarHBondContact CB-OE2 3.48Å; S3-E5 PolarHBondContact O-N 3.23Å; S3-E5 PolarHBondContact OG-OE2 3.19Å; E5-Y7 PolarHBondContact O-N 2.86Å; E5-R8 PolarHBondContact O-N 2.92Å; E5-A9 WeakPolarHBondContact O-CB 3.37Å; E5-A9 PolarHBondContact O-N 2.92Å
6	S	59.2	Low	60.6	Low	30 Å²	30	74.9 Å²	74.9	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-60.6	-26.8	174.7	-58.8	0	0	0	0	112.4	S3 E4 I10	S3-S6 VanDerWaalsContact O-CB 3.27Å; S3-S6 WeakPolarHBondContact O-CB 3.29Å; S3-S6 PolarHBondContact O-N 3.43Å; S3-S6 PolarHBondContact OG-OG 3.37Å; S3-S6 VanDerWaalsContact OG-OG 3.06Å; E4-S6 PolarHBondContact O-N 3.36Å; S6-I10 WeakPolarHBondContact O-CD1 3.45Å; S6-I10 VanDerWaalsContact O-CG1 3.3Å; S6-I10 WeakPolarHBondContact O-CG1 3.44Å
7	Y	66.3	Low	60.2	Low	41 Å²	41	76.4 Å²	76.4	16%	0.161	38%	0.384	C	S	.	.	H	α-helix	trans	-85.8	-51.8	177.2	163.7	-105.7	0	0	0	111.1	E4 E5 A9 I10 L11 L47 V65	E4-Y7 HydrophobicContact CG-CD1 4.41Å; E4-Y7 CarbonylContact O-C 3.19Å; E4-Y7 WeakPolarHBondContact O-CA 3.07Å; E4-Y7 VanDerWaalsContact O-CB 3.27Å; E4-Y7 WeakPolarHBondContact O-CB 3.48Å; E4-Y7 PolarHBondContact O-N 3.13Å; E5-Y7 PolarHBondContact O-N 2.86Å; Y7-A9 PolarHBondContact O-N 3.32Å; Y7-A9 VanDerWaalsContact O-N 3.15Å; Y7-I10 WeakPolarHBondContact O-CA 3.26Å; Y7-I10 PolarHBondContact O-N 3.26Å; Y7-L11 HydrophobicContact CD1-CD1 4.15Å; Y7-L11 HydrophobicContact CE1-CD1 3.47Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.47Å; Y7-L11 HydrophobicContact CE1-CG 4.28Å; Y7-L11 HydrophobicContact CE2-CD1 4.14Å; Y7-L11 HydrophobicContact CE2-CG 4.11Å; Y7-L11 VanDerWaalsContact CZ-CD1 3.48Å; Y7-L11 PolarHBondContact O-N 3.01Å; Y7-L47 HydrophobicContact CD2-CB 4.4Å; Y7-L47 HydrophobicContact CD2-CD2 4.26Å; Y7-L47 HydrophobicContact CE2-CB 3.54Å; Y7-L47 HydrophobicContact CE2-CD1 4.28Å; Y7-L47 HydrophobicContact CE2-CD2 4.19Å; Y7-L47 HydrophobicContact CE2-CG 4.22Å; Y7-V65 HydrophobicContact CD1-CG1 4.29Å; Y7-V65 HydrophobicContact CD1-CG2 4.19Å; Y7-V65 HydrophobicContact CD2-CB 4.1Å; Y7-V65 HydrophobicContact CD2-CG2 3.35Å; Y7-V65 HydrophobicContact CE1-CB 4.14Å; Y7-V65 HydrophobicContact CE1-CG1 3.83Å; Y7-V65 HydrophobicContact CE1-CG2 4.22Å; Y7-V65 HydrophobicContact CE2-CB 3.57Å; Y7-V65 HydrophobicContact CE2-CG1 4.2Å; Y7-V65 HydrophobicContact CE2-CG2 3.35Å; Y7-V65 HydrophobicContact CG-CG2 3.76Å
8	R	63.7	Low	59.3	Low	142 Å²	142	86.3 Å²	86.3	54%	0.536	42%	0.416	S	S	.	.	H	α-helix	trans	-57.2	-29.8	175.4	-63.1	-172.4	-173.3	-157.5	6.1	112.2	E4 E5 R12	E4-R8 HydrophobicContact CG-CG 4.49Å; E4-R8 PolarHBondContact O-N 2.93Å; E4-R8 IonicContact OE1-CZ 2.64Å; E4-R8 IonicContact OE1-NE 3.16Å; E4-R8 PolarHBondContact OE1-NE 3.46Å; E4-R8 IonicContact OE1-NH2 3.83Å; E4-R8 PolarHBondContact OE1-NH2 3.36Å; E5-R8 PolarHBondContact O-N 2.92Å; R8-R12 WeakPolarHBondContact O-CG 3.38Å; R8-R12 PolarHBondContact O-N 3.05Å; R8-R12 VanDerWaalsContact O-N 3.16Å
9	A	63.9	Low	58.4	Low	19 Å²	19	88.3 Å²	88.3	16%	0.157	42%	0.424	C	S	.	.	H	α-helix	trans	-81.2	-17.1	174.3	0	0	0	0	0	114.9	E5 Y7 Y21 I33	E5-A9 WeakPolarHBondContact O-CB 3.37Å; E5-A9 PolarHBondContact O-N 2.92Å; Y7-A9 PolarHBondContact O-N 3.32Å; Y7-A9 VanDerWaalsContact O-N 3.15Å; A9-Y21 HydrophobicContact CB-CD1 4.35Å; A9-Y21 HydrophobicContact CB-CE1 4.46Å; A9-I33 HydrophobicContact CB-CD1 4.08Å
10	I	68.4	Low	57.7	Low	7 Å²	7	89.3 Å²	89.3	4%	0.036	44%	0.438	C	S	.	.	H	α-helix	trans	-85.9	-40	168.9	-68.6	168	0	0	0	109.8	M1 S6 Y7 Y13 L14 I33 A36 A37 Y40 L47	M1-I10 HydrophobicContact CE-CD1 3.95Å; S6-I10 WeakPolarHBondContact O-CD1 3.45Å; S6-I10 VanDerWaalsContact O-CG1 3.3Å; S6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y7-I10 WeakPolarHBondContact O-CA 3.26Å; Y7-I10 PolarHBondContact O-N 3.26Å; I10-Y13 PolarHBondContact O-N 2.9Å; I10-L14 HydrophobicContact CG2-CD1 3.82Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.01Å; I10-L14 VanDerWaalsContact O-N 3.12Å; I10-I33 HydrophobicContact CG1-CG2 3.93Å; I10-A36 HydrophobicContact CD1-CB 4.12Å; I10-A37 HydrophobicContact CG2-CB 4.05Å; I10-Y40 HydrophobicContact CD1-CD2 4.4Å; I10-Y40 HydrophobicContact CD1-CE2 4.29Å; I10-Y40 HydrophobicContact CG2-CD2 4.33Å; I10-L47 HydrophobicContact CG2-CD1 3.78Å
11	L	67.1	Low	57.6	Low	30 Å²	30	87.7 Å²	87.7	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-53	-61.8	171.8	-83.6	176.9	0	0	0	110.9	Y7 Y13 L14 T15 V42 L47	Y7-L11 HydrophobicContact CD1-CD1 4.15Å; Y7-L11 HydrophobicContact CE1-CD1 3.47Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.47Å; Y7-L11 HydrophobicContact CE1-CG 4.28Å; Y7-L11 HydrophobicContact CE2-CD1 4.14Å; Y7-L11 HydrophobicContact CE2-CG 4.11Å; Y7-L11 VanDerWaalsContact CZ-CD1 3.48Å; Y7-L11 PolarHBondContact O-N 3.01Å; L11-Y13 PolarHBondContact O-N 2.96Å; L11-L14 WeakPolarHBondContact O-CA 3.42Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-T15 PolarHBondContact O-N 2.93Å; L11-T15 PolarHBondContact O-OG1 3.27Å; L11-V42 HydrophobicContact CD2-CG1 4.09Å; L11-V42 HydrophobicContact CD2-CG2 3.77Å; L11-L47 HydrophobicContact CD2-CB 4.33Å; L11-L47 HydrophobicContact CD2-CD1 3.98Å; L11-L47 HydrophobicContact CG-CD1 4.25Å
12	R	68.4	Low	57.1	Low	94 Å²	94	85.8 Å²	85.8	36%	0.355	43%	0.428	S	S	.	.	H	α-helix	trans	-54.1	-28.7	-179.6	-75	-165.2	-87.1	-168.2	-7	114.3	R8 T15 E17 E19	R8-R12 WeakPolarHBondContact O-CG 3.38Å; R8-R12 PolarHBondContact O-N 3.05Å; R8-R12 VanDerWaalsContact O-N 3.16Å; R12-T15 WeakPolarHBondContact CA-OG1 3.36Å; R12-E17 HydrophobicContact CG-CB 4.45Å; R12-E17 WeakPolarHBondContact CG-OE2 3.42Å; R12-E19 IonicContact NH1-OE2 3.77Å; R12-E19 PolarHBondContact NH1-OE2 3.49Å
13	Y	68	Low	56.9	Low	90 Å²	90	86.5 Å²	86.5	35%	0.353	43%	0.429	S	S	.	.	H	α-helix	trans	-78.5	-28.2	175.5	179.1	-114.6	0	0	0	114.1	I10 L11 Y21 R34 A37	I10-Y13 PolarHBondContact O-N 2.9Å; L11-Y13 PolarHBondContact O-N 2.96Å; Y13-Y21 VanDerWaalsContact CB-OH 3.3Å; Y13-Y21 WeakPolarHBondContact CB-OH 3.43Å; Y13-Y21 WeakPolarHBondContact CD2-OH 3.21Å; Y13-R34 HydrophobicContact CD1-CG 4.41Å; Y13-R34 HydrophobicContact CD2-CG 4.49Å; Y13-R34 HydrophobicContact CE1-CB 4.31Å; Y13-R34 HydrophobicContact CE1-CG 3.85Å; Y13-R34 HydrophobicContact CE2-CG 3.96Å; Y13-A37 HydrophobicContact CD1-CB 3.47Å; Y13-A37 VanDerWaalsContact CD1-CB 3.47Å; Y13-A37 HydrophobicContact CE1-CB 3.75Å
14	L	67.3	Low	56.7	Low	55 Å²	55	88.1 Å²	88.1	29%	0.288	45%	0.453	S	S	.	.	H	α-helix	trans	-92	-25	179.8	-69	174.9	0	0	0	112.7	I10 L11 A37 V42 L47	I10-L14 HydrophobicContact CG2-CD1 3.82Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.01Å; I10-L14 VanDerWaalsContact O-N 3.12Å; L11-L14 WeakPolarHBondContact O-CA 3.42Å; L11-L14 PolarHBondContact O-N 3.35Å; L14-A37 HydrophobicContact CD2-CB 4.17Å; L14-A37 HydrophobicContact CG-CB 4.33Å; L14-V42 HydrophobicContact CB-CG2 3.64Å; L14-V42 HydrophobicContact CD1-CG2 3.9Å; L14-V42 HydrophobicContact CG-CG2 4.43Å; L14-L47 HydrophobicContact CD1-CD1 4.11Å
15	T	65.7	Low	56.7	Low	57 Å²	57	85.4 Å²	85.4	35%	0.35	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.5	175.3	52.4	0	0	0	0	113.9	L11 R12 E17 V42	L11-T15 PolarHBondContact O-N 2.93Å; L11-T15 PolarHBondContact O-OG1 3.27Å; R12-T15 WeakPolarHBondContact CA-OG1 3.36Å; T15-E17 VanDerWaalsContact CB-OE1 3.27Å; T15-E17 WeakPolarHBondContact CB-OE1 3.38Å; T15-E17 PolarHBondContact O-N 3.49Å; T15-E17 PolarHBondContact OG1-OE1 3.04Å; T15-V42 HydrophobicContact CG2-CG1 4.31Å
16	N	59	Low	56.5	Low	137 Å²	137	84.8 Å²	84.8	73%	0.733	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	25.4	-174.7	-70.9	-40.9	0	0	0	114.8	R18	N16-R18 PolarHBondContact O-N 3.2Å
17	E	53.9	Low	56.4	Low	100 Å²	100	86.1 Å²	86.1	47%	0.467	46%	0.459	S	S	.	.			trans	-55.5	126.9	168.8	-75.1	160.3	-117.1	0	0	109.7	R12 T15 E19	R12-E17 HydrophobicContact CG-CB 4.45Å; R12-E17 WeakPolarHBondContact CG-OE2 3.42Å; T15-E17 VanDerWaalsContact CB-OE1 3.27Å; T15-E17 WeakPolarHBondContact CB-OE1 3.38Å; T15-E17 PolarHBondContact O-N 3.49Å; T15-E17 PolarHBondContact OG1-OE1 3.04Å; E17-E19 PolarHBondContact O-N 3.4Å; E17-E19 VanDerWaalsContact O-N 3.1Å
18	R	43.1	Very low	55.9	Low	256 Å²	256	88.4 Å²	88.4	97%	0.966	47%	0.474	S	S	*	.			trans	-71.5	-4.7	-168.4	-75.5	-174.6	174.4	-176.8	0.4	114.7	N16	N16-R18 PolarHBondContact O-N 3.2Å
19	E	42.4	Very low	55.6	Low	123 Å²	123	84.2 Å²	84.2	58%	0.575	46%	0.464	S	S	*	.	S	Bend	trans	-66.6	141	-178.1	-67.3	-161.6	141.7	0	0	113	R12 E17 Y21	R12-E19 IonicContact NH1-OE2 3.77Å; R12-E19 PolarHBondContact NH1-OE2 3.49Å; E17-E19 PolarHBondContact O-N 3.4Å; E17-E19 VanDerWaalsContact O-N 3.1Å; E19-Y21 PolarHBondContact O-N 3.49Å
20	P	44.5	Very low	55.5	Low	108 Å²	108	86.2 Å²	86.2	70%	0.701	47%	0.469	S	S	*	.			trans	-67.2	133.1	172	28.9	-33.5	0	0	0	110.7	A22	P20-A22 PolarHBondContact O-N 3.16Å
21	Y	54.5	Low	55.1	Low	56 Å²	56	93.7 Å²	93.7	22%	0.22	50%	0.497	C	S	.	.	S	Bend	trans	-42.9	128.3	160	-67	-93.6	0	0	0	110.2	A9 Y13 E19 T25 I33	A9-Y21 HydrophobicContact CB-CD1 4.35Å; A9-Y21 HydrophobicContact CB-CE1 4.46Å; Y13-Y21 VanDerWaalsContact CB-OH 3.3Å; Y13-Y21 WeakPolarHBondContact CB-OH 3.43Å; Y13-Y21 WeakPolarHBondContact CD2-OH 3.21Å; E19-Y21 PolarHBondContact O-N 3.49Å; Y21-T25 PolarHBondContact O-OG1 3.36Å; Y21-I33 HydrophobicContact CD1-CD1 4.24Å; Y21-I33 HydrophobicContact CE1-CD1 3.99Å; Y21-I33 HydrophobicContact CE1-CG2 3.96Å
22	A	43.4	Very low	55	Low	57 Å²	57	98.2 Å²	98.2	47%	0.471	52%	0.516	S	S	.	.			trans	-31.2	129.3	-172.8	0	0	0	0	0	113.8	P20 G24 T25	P20-A22 PolarHBondContact O-N 3.16Å; A22-G24 PolarHBondContact O-N 3.15Å; A22-T25 HydrophobicContact CB-CG2 4.38Å; A22-T25 WeakPolarHBondContact O-CB 3.42Å; A22-T25 WeakPolarHBondContact O-CG2 3.44Å; A22-T25 PolarHBondContact O-N 3.44Å; A22-T25 VanDerWaalsContact O-N 3.11Å; A22-T25 PolarHBondContact O-OG1 2.9Å
23	P	33.9	Very low	54.9	Low	131 Å²	131	94.3 Å²	94.3	85%	0.851	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	137.8	-179.8	-30	36.1	0	0	0	112.4
24	G	47	Very low	54.8	Low	80 Å²	80	96.3 Å²	96.3	83%	0.825	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-10.7	-174.7	0	0	0	0	0	116	A22 E26	A22-G24 PolarHBondContact O-N 3.15Å; G24-E26 PolarHBondContact O-N 3.41Å
25	T	55.6	Low	54.8	Low	41 Å²	41	101.8 Å²	101.8	25%	0.252	53%	0.53	S	S	.	.			trans	-62.5	105.2	177.2	41.5	0	0	0	0	113	Y21 A22 K30	Y21-T25 PolarHBondContact O-OG1 3.36Å; A22-T25 HydrophobicContact CB-CG2 4.38Å; A22-T25 WeakPolarHBondContact O-CB 3.42Å; A22-T25 WeakPolarHBondContact O-CG2 3.44Å; A22-T25 PolarHBondContact O-N 3.44Å; A22-T25 VanDerWaalsContact O-N 3.11Å; A22-T25 PolarHBondContact O-OG1 2.9Å; T25-K30 WeakPolarHBondContact O-CD 3.44Å; T25-K30 WeakPolarHBondContact O-CE 3.44Å; T25-K30 PolarHBondContact O-NZ 3.25Å; T25-K30 WeakPolarHBondContact OG1-CE 3.44Å; T25-K30 PolarHBondContact OG1-NZ 3.12Å
26	E	51.1	Low	54.7	Low	126 Å²	126	100.2 Å²	100.2	59%	0.589	52%	0.522	S	S	*	.			trans	-51.7	149.8	-176.8	-67.1	-168.8	155.8	0	0	114.2	G24 N28 V29 K30	G24-E26 PolarHBondContact O-N 3.41Å; E26-N28 PolarHBondContact O-N 3.45Å; E26-N28 VanDerWaalsContact O-N 3.09Å; E26-V29 HydrophobicContact CB-CG2 4.2Å; E26-V29 WeakPolarHBondContact O-CB 3.33Å; E26-V29 PolarHBondContact O-N 3.36Å; E26-K30 PolarHBondContact O-N 2.94Å
27	G	57.3	Low	55.1	Low	58 Å²	58	93.8 Å²	93.8	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-56.3	-27.7	172.9	0	0	0	0	0	114.2	R31	G27-R31 WeakPolarHBondContact O-CB 3.46Å; G27-R31 PolarHBondContact O-N 2.82Å
28	N	55	Low	55.7	Low	90 Å²	90	93.2 Å²	93.2	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-74.1	-38.2	176.3	-156.9	1.7	0	0	0	111.7	E26 R31 K32	E26-N28 PolarHBondContact O-N 3.45Å; E26-N28 VanDerWaalsContact O-N 3.09Å; N28-R31 WeakPolarHBondContact O-CB 3.24Å; N28-R31 PolarHBondContact O-N 2.91Å; N28-K32 WeakPolarHBondContact O-CG 3.49Å; N28-K32 PolarHBondContact O-N 3.5Å
29	V	59	Low	56.9	Low	53 Å²	53	83.7 Å²	83.7	32%	0.321	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-47.1	171.4	179	0	0	0	0	110.3	E26 R31 K32 I33	E26-V29 HydrophobicContact CB-CG2 4.2Å; E26-V29 WeakPolarHBondContact O-CB 3.33Å; E26-V29 PolarHBondContact O-N 3.36Å; V29-R31 PolarHBondContact O-N 3.34Å; V29-R31 VanDerWaalsContact O-N 3.13Å; V29-K32 WeakPolarHBondContact O-CB 3.39Å; V29-K32 PolarHBondContact O-N 2.95Å; V29-I33 HydrophobicContact CG1-CD1 3.82Å; V29-I33 HydrophobicContact CG1-CG1 4.32Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 3.12Å
30	K	61.2	Low	58.4	Low	62 Å²	62	80 Å²	80	27%	0.27	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-20.1	173.4	-73.1	170.5	170.6	143.8	0	113.7	T25 E26 R34	T25-K30 WeakPolarHBondContact O-CD 3.44Å; T25-K30 WeakPolarHBondContact O-CE 3.44Å; T25-K30 PolarHBondContact O-NZ 3.25Å; T25-K30 WeakPolarHBondContact OG1-CE 3.44Å; T25-K30 PolarHBondContact OG1-NZ 3.12Å; E26-K30 PolarHBondContact O-N 2.94Å; K30-R34 WeakPolarHBondContact O-CG 3.41Å; K30-R34 PolarHBondContact O-NE 2.89Å
31	R	60	Low	59.7	Low	163 Å²	163	76.9 Å²	76.9	62%	0.615	43%	0.433	S	S	*	.	H	α-helix	trans	-83.9	-38.4	171.2	-160.2	177.2	-163.2	172	3.6	112	G27 N28 V29 K35	G27-R31 WeakPolarHBondContact O-CB 3.46Å; G27-R31 PolarHBondContact O-N 2.82Å; N28-R31 WeakPolarHBondContact O-CB 3.24Å; N28-R31 PolarHBondContact O-N 2.91Å; V29-R31 PolarHBondContact O-N 3.34Å; V29-R31 VanDerWaalsContact O-N 3.13Å; R31-K35 VanDerWaalsContact O-CB 3.3Å; R31-K35 WeakPolarHBondContact O-CB 3.4Å; R31-K35 PolarHBondContact O-N 2.94Å; R31-K35 VanDerWaalsContact O-N 3.15Å
32	K	64.4	Low	60.5	Low	126 Å²	126	76 Å²	76	55%	0.548	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-44.7	173.9	-71.1	168.1	-175.8	172.7	0	111.6	N28 V29 K35 A36	N28-K32 WeakPolarHBondContact O-CG 3.49Å; N28-K32 PolarHBondContact O-N 3.5Å; V29-K32 WeakPolarHBondContact O-CB 3.39Å; V29-K32 PolarHBondContact O-N 2.95Å; K32-K35 PolarHBondContact O-N 3.44Å; K32-A36 WeakPolarHBondContact O-CB 3.23Å; K32-A36 PolarHBondContact O-N 2.97Å
33	I	65.6	Low	61.7	Low	12 Å²	12	80.3 Å²	80.3	6%	0.062	44%	0.437	C	S	.	.	H	α-helix	trans	-60.8	-54.6	178.4	-67.7	167.7	0	0	0	110.7	A9 I10 Y21 V29 K35 A36 A37	A9-I33 HydrophobicContact CB-CD1 4.08Å; I10-I33 HydrophobicContact CG1-CG2 3.93Å; Y21-I33 HydrophobicContact CD1-CD1 4.24Å; Y21-I33 HydrophobicContact CE1-CD1 3.99Å; Y21-I33 HydrophobicContact CE1-CG2 3.96Å; V29-I33 HydrophobicContact CG1-CD1 3.82Å; V29-I33 HydrophobicContact CG1-CG1 4.32Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 3.12Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 3.3Å; I33-A36 CarbonylContact O-C 3.33Å; I33-A36 WeakPolarHBondContact O-CA 3.43Å; I33-A36 WeakPolarHBondContact O-CB 3.27Å; I33-A36 PolarHBondContact O-N 3.11Å; I33-A37 WeakPolarHBondContact O-CB 3.47Å; I33-A37 PolarHBondContact O-N 2.9Å
34	R	67	Low	63	Low	131 Å²	131	78.2 Å²	78.2	49%	0.494	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-37.3	178.3	-70	-175.2	-74.8	175.1	-5.8	113.3	Y13 K30 A38	Y13-R34 HydrophobicContact CD1-CG 4.41Å; Y13-R34 HydrophobicContact CD2-CG 4.49Å; Y13-R34 HydrophobicContact CE1-CB 4.31Å; Y13-R34 HydrophobicContact CE1-CG 3.85Å; Y13-R34 HydrophobicContact CE2-CG 3.96Å; K30-R34 WeakPolarHBondContact O-CG 3.41Å; K30-R34 PolarHBondContact O-NE 2.89Å; R34-A38 PolarHBondContact O-N 3.16Å
35	K	67.4	Low	63.8	Low	171 Å²	171	77 Å²	77	74%	0.743	43%	0.426	S	S	*	.	H	α-helix	trans	-72.2	-26.4	175.5	-172.8	171.7	-179.8	178.7	0	113.2	R31 K32 I33	R31-K35 VanDerWaalsContact O-CB 3.3Å; R31-K35 WeakPolarHBondContact O-CB 3.4Å; R31-K35 PolarHBondContact O-N 2.94Å; R31-K35 VanDerWaalsContact O-N 3.15Å; K32-K35 PolarHBondContact O-N 3.44Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 3.3Å
36	A	64.1	Low	64.1	Low	23 Å²	23	77 Å²	77	19%	0.19	43%	0.426	C	S	.	.	H	α-helix	trans	-77.1	-49	172.5	0	0	0	0	0	110.7	I10 K32 I33 A38 C39 Y40	I10-A36 HydrophobicContact CD1-CB 4.12Å; K32-A36 WeakPolarHBondContact O-CB 3.23Å; K32-A36 PolarHBondContact O-N 2.97Å; I33-A36 CarbonylContact O-C 3.33Å; I33-A36 WeakPolarHBondContact O-CA 3.43Å; I33-A36 WeakPolarHBondContact O-CB 3.27Å; I33-A36 PolarHBondContact O-N 3.11Å; A36-A38 PolarHBondContact O-N 2.77Å; A36-C39 WeakPolarHBondContact O-CB 3.45Å; A36-C39 PolarHBondContact O-N 3.32Å; A36-Y40 HydrophobicContact CB-CE2 4.21Å; A36-Y40 WeakPolarHBondContact O-CD2 3.49Å; A36-Y40 WeakPolarHBondContact O-CE2 3.25Å
37	A	66.8	Low	64.9	Low	3 Å²	3	71.1 Å²	71.1	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-54.6	-33.4	179.7	0	0	0	0	0	113.4	I10 Y13 L14 I33 C39 Y40	I10-A37 HydrophobicContact CG2-CB 4.05Å; Y13-A37 HydrophobicContact CD1-CB 3.47Å; Y13-A37 VanDerWaalsContact CD1-CB 3.47Å; Y13-A37 HydrophobicContact CE1-CB 3.75Å; L14-A37 HydrophobicContact CD2-CB 4.17Å; L14-A37 HydrophobicContact CG-CB 4.33Å; I33-A37 WeakPolarHBondContact O-CB 3.47Å; I33-A37 PolarHBondContact O-N 2.9Å; A37-C39 PolarHBondContact O-N 3.05Å; A37-Y40 PolarHBondContact O-N 3.15Å
38	A	66.6	Low	65.5	Low	88 Å²	88	70.4 Å²	70.4	73%	0.727	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	3.3	172	0	0	0	0	0	115.3	R34 A36	R34-A38 PolarHBondContact O-N 3.16Å; A36-A38 PolarHBondContact O-N 2.77Å
39	C	67.6	Low	66.3	Low	55 Å²	55	68.9 Å²	68.9	37%	0.372	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	6	171.5	-56.8	0	0	0	0	113.2	A36 A37 Y49 Q50	A36-C39 WeakPolarHBondContact O-CB 3.45Å; A36-C39 PolarHBondContact O-N 3.32Å; A37-C39 PolarHBondContact O-N 3.05Å; C39-Y49 HydrophobicContact CB-CD2 4.23Å; C39-Y49 HydrophobicContact CB-CE2 3.8Å; C39-Y49 VanDerWaalsContact O-CD2 3.23Å; C39-Y49 WeakPolarHBondContact O-CD2 3.42Å; C39-Q50 PolarHBondContact O-N 3.09Å
40	Y	73.5	Confident	66.8	Low	46 Å²	46	69 Å²	69	18%	0.18	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153	179.5	-58	-79.8	0	0	0	111	I10 A36 A37 L47 Y48 Y49 V64	I10-Y40 HydrophobicContact CD1-CD2 4.4Å; I10-Y40 HydrophobicContact CD1-CE2 4.29Å; I10-Y40 HydrophobicContact CG2-CD2 4.33Å; A36-Y40 HydrophobicContact CB-CE2 4.21Å; A36-Y40 WeakPolarHBondContact O-CD2 3.49Å; A36-Y40 WeakPolarHBondContact O-CE2 3.25Å; A37-Y40 PolarHBondContact O-N 3.15Å; Y40-L47 HydrophobicContact CD1-CD2 3.46Å; Y40-L47 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L47 HydrophobicContact CD1-CG 4.46Å; Y40-L47 HydrophobicContact CE1-CD2 4.13Å; Y40-L47 HydrophobicContact CG-CD2 3.76Å; Y40-Y48 CarbonylContact C-O 3.15Å; Y40-Y48 WeakPolarHBondContact CA-O 3.29Å; Y40-Y49 AromaticContact CD1-CD2 3.8Å; Y40-Y49 HydrophobicContact CD1-CD2 3.8Å; Y40-Y49 HydrophobicContact CD1-CG 4.29Å; Y40-Y49 AromaticContact CE1-CD2 3.46Å; Y40-Y49 HydrophobicContact CE1-CD2 3.46Å; Y40-Y49 VanDerWaalsContact CE1-CD2 3.46Å; Y40-Y49 HydrophobicContact CE1-CE2 4.44Å; Y40-Y49 AromaticContact CE1-CG 3.96Å; Y40-Y49 HydrophobicContact CE1-CG 3.96Å; Y40-Y49 AromaticContact CZ-CD2 3.93Å; Y40-V64 HydrophobicContact CD1-CG2 3.89Å; Y40-V64 HydrophobicContact CE1-CG1 4.01Å; Y40-V64 HydrophobicContact CE1-CG2 3.86Å
41	V	72.7	Confident	66.8	Low	42 Å²	42	71.8 Å²	71.8	26%	0.255	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.9	177.6	173.1	0	0	0	0	108.9	R43 Y48 Q50	V41-R43 HydrophobicContact CG1-CG 4.4Å; V41-Y48 PolarHBondContact N-O 3.49Å; V41-Y48 PolarHBondContact O-N 3.37Å; V41-Q50 HydrophobicContact CG2-CG 4.05Å
42	V	70.9	Confident	66.5	Low	37 Å²	37	73 Å²	73	22%	0.224	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.7	176.2	-175.1	0	0	0	0	109.5	L11 L14 T15 T46 L47	L11-V42 HydrophobicContact CD2-CG1 4.09Å; L11-V42 HydrophobicContact CD2-CG2 3.77Å; L14-V42 HydrophobicContact CB-CG2 3.64Å; L14-V42 HydrophobicContact CD1-CG2 3.9Å; L14-V42 HydrophobicContact CG-CG2 4.43Å; T15-V42 HydrophobicContact CG2-CG1 4.31Å; V42-T46 WeakPolarHBondContact CA-O 3.46Å; V42-L47 HydrophobicContact CG2-CD1 4.07Å
43	R	68.1	Low	66	Low	149 Å²	149	71.7 Å²	71.7	56%	0.562	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.9	172.8	-73	177.5	157.1	176.9	-17.1	108.1	V41 G45 T46 Y48 E61	V41-R43 HydrophobicContact CG1-CG 4.4Å; R43-G45 VanDerWaalsContact C-N 3.31Å; R43-G45 PolarHBondContact O-N 3.3Å; R43-T46 PolarHBondContact N-O 3.36Å; R43-T46 PolarHBondContact O-N 3.14Å; R43-Y48 HydrophobicContact CB-CD2 4.14Å; R43-Y48 HydrophobicContact CB-CE2 3.84Å; R43-E61 IonicContact CZ-OE2 3.68Å; R43-E61 IonicContact NH1-OE1 3.96Å; R43-E61 IonicContact NH1-OE2 2.8Å; R43-E61 PolarHBondContact NH1-OE2 3.04Å
44	G	63.1	Low	65.1	Low	86 Å²	86	82.3 Å²	82.3	89%	0.887	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	44.5	-178.4	0	0	0	0	0	113.8	T46	G44-T46 PolarHBondContact O-N 3.05Å
45	G	62.2	Low	64	Low	54 Å²	54	84.1 Å²	84.1	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-13	-174.5	0	0	0	0	0	115.9	R43	R43-G45 VanDerWaalsContact C-N 3.31Å; R43-G45 PolarHBondContact O-N 3.3Å
46	T	62.2	Low	63.1	Low	41 Å²	41	84.5 Å²	84.5	25%	0.252	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	143.2	-176.9	-60.2	0	0	0	0	111.2	V42 R43 G44 Y48 E63	V42-T46 WeakPolarHBondContact CA-O 3.46Å; R43-T46 PolarHBondContact N-O 3.36Å; R43-T46 PolarHBondContact O-N 3.14Å; G44-T46 PolarHBondContact O-N 3.05Å; T46-Y48 HydrophobicContact CG2-CE2 3.77Å; T46-Y48 WeakPolarHBondContact O-CD2 3.46Å; T46-Y48 WeakPolarHBondContact O-CE2 3.37Å; T46-E63 HydrophobicContact CG2-CG 4.49Å
47	L	67.8	Low	62.2	Low	3 Å²	3	93.3 Å²	93.3	2%	0.016	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.6	-177.5	-164.4	121.4	0	0	0	112.2	Y7 I10 L11 L14 Y40 V42 V64	Y7-L47 HydrophobicContact CD2-CB 4.4Å; Y7-L47 HydrophobicContact CD2-CD2 4.26Å; Y7-L47 HydrophobicContact CE2-CB 3.54Å; Y7-L47 HydrophobicContact CE2-CD1 4.28Å; Y7-L47 HydrophobicContact CE2-CD2 4.19Å; Y7-L47 HydrophobicContact CE2-CG 4.22Å; I10-L47 HydrophobicContact CG2-CD1 3.78Å; L11-L47 HydrophobicContact CD2-CB 4.33Å; L11-L47 HydrophobicContact CD2-CD1 3.98Å; L11-L47 HydrophobicContact CG-CD1 4.25Å; L14-L47 HydrophobicContact CD1-CD1 4.11Å; Y40-L47 HydrophobicContact CD1-CD2 3.46Å; Y40-L47 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L47 HydrophobicContact CD1-CG 4.46Å; Y40-L47 HydrophobicContact CE1-CD2 4.13Å; Y40-L47 HydrophobicContact CG-CD2 3.76Å; V42-L47 HydrophobicContact CG2-CD1 4.07Å; L47-V64 HydrophobicContact CD2-CB 3.85Å; L47-V64 HydrophobicContact CD2-CG1 4.01Å; L47-V64 HydrophobicContact CD2-CG2 3.97Å; L47-V64 WeakPolarHBondContact O-CB 3.43Å; L47-V64 WeakPolarHBondContact O-CG2 3.46Å; L47-V64 PolarHBondContact O-N 3.47Å; L47-V64 VanDerWaalsContact O-N 3.08Å
48	Y	69.7	Low	61.1	Low	44 Å²	44	97.7 Å²	97.7	17%	0.173	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.5	-177.9	-64	-95.9	0	0	0	110.4	Y40 V41 R43 T46 E61 E63	Y40-Y48 CarbonylContact C-O 3.15Å; Y40-Y48 WeakPolarHBondContact CA-O 3.29Å; V41-Y48 PolarHBondContact N-O 3.49Å; V41-Y48 PolarHBondContact O-N 3.37Å; R43-Y48 HydrophobicContact CB-CD2 4.14Å; R43-Y48 HydrophobicContact CB-CE2 3.84Å; T46-Y48 HydrophobicContact CG2-CE2 3.77Å; T46-Y48 WeakPolarHBondContact O-CD2 3.46Å; T46-Y48 WeakPolarHBondContact O-CE2 3.37Å; Y48-E61 HydrophobicContact CD1-CB 4.18Å; Y48-E63 HydrophobicContact CD1-CG 3.69Å; Y48-E63 HydrophobicContact CE1-CG 3.2Å; Y48-E63 WeakPolarHBondContact CE1-OE1 3.25Å; Y48-E63 PolarHBondContact OH-OE1 3.03Å
49	Y	72.4	Confident	60.6	Low	57 Å²	57	98.5 Å²	98.5	22%	0.224	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.2	172.3	176.8	-118	0	0	0	109.9	C39 Y40 R51 L62 V64 W101	C39-Y49 HydrophobicContact CB-CD2 4.23Å; C39-Y49 HydrophobicContact CB-CE2 3.8Å; C39-Y49 VanDerWaalsContact O-CD2 3.23Å; C39-Y49 WeakPolarHBondContact O-CD2 3.42Å; Y40-Y49 AromaticContact CD1-CD2 3.8Å; Y40-Y49 HydrophobicContact CD1-CD2 3.8Å; Y40-Y49 HydrophobicContact CD1-CG 4.29Å; Y40-Y49 AromaticContact CE1-CD2 3.46Å; Y40-Y49 HydrophobicContact CE1-CD2 3.46Å; Y40-Y49 VanDerWaalsContact CE1-CD2 3.46Å; Y40-Y49 HydrophobicContact CE1-CE2 4.44Å; Y40-Y49 AromaticContact CE1-CG 3.96Å; Y40-Y49 HydrophobicContact CE1-CG 3.96Å; Y40-Y49 AromaticContact CZ-CD2 3.93Å; Y49-R51 HydrophobicContact CD1-CB 4.09Å; Y49-R51 HydrophobicContact CE1-CB 3.87Å; Y49-R51 HydrophobicContact CE1-CG 4.31Å; Y49-R51 PolarHBondContact O-N 2.92Å; Y49-R51 VanDerWaalsContact O-N 3.15Å; Y49-L62 HydrophobicContact CD1-CD1 4.39Å; Y49-L62 PolarHBondContact N-O 3.24Å; Y49-L62 PolarHBondContact O-N 2.96Å; Y49-V64 VanDerWaalsContact CB-CG2 3.5Å; Y49-V64 VanDerWaalsContact N-CG2 3.28Å; Y49-W101 AromaticContact CD1-CD1 3.42Å; Y49-W101 VanDerWaalsContact CD1-CD1 3.42Å; Y49-W101 HydrophobicContact CD1-CD2 4.34Å; Y49-W101 AromaticContact CD1-CG 3.9Å; Y49-W101 HydrophobicContact CD1-CG 3.9Å; Y49-W101 AromaticContact CD1-NE1 3.61Å; Y49-W101 AromaticContact CE1-CD1 3.96Å; Y49-W101 HydrophobicContact CE1-CG 4.49Å; Y49-W101 AromaticContact CE1-NE1 3.64Å; Y49-W101 AromaticContact CG-CD1 3.81Å
50	Q	68.6	Low	60	Low	56 Å²	56	97.1 Å²	97.1	26%	0.262	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	90.3	-178.9	-73.4	-165.8	-23	0	0	111.3	C39 V41 R52 F59 E61	C39-Q50 PolarHBondContact O-N 3.09Å; V41-Q50 HydrophobicContact CG2-CG 4.05Å; Q50-R52 PolarHBondContact O-N 3.2Å; Q50-F59 HydrophobicContact CB-CB 4.32Å; Q50-F59 HydrophobicContact CB-CD1 4.02Å; Q50-F59 HydrophobicContact CB-CG 4.38Å; Q50-F59 HydrophobicContact CG-CB 4.44Å; Q50-E61 HydrophobicContact CG-CG 4.31Å; Q50-E61 PolarHBondContact NE2-OE1 3.29Å
51	R	62.1	Low	59.4	Low	120 Å²	120	98 Å²	98	45%	0.453	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	100.6	175.7	-172.1	174.2	175	-175.4	-4.9	110.4	Y49 Q53 A60 L62	Y49-R51 HydrophobicContact CD1-CB 4.09Å; Y49-R51 HydrophobicContact CE1-CB 3.87Å; Y49-R51 HydrophobicContact CE1-CG 4.31Å; Y49-R51 PolarHBondContact O-N 2.92Å; Y49-R51 VanDerWaalsContact O-N 3.15Å; R51-Q53 PolarHBondContact O-N 3.3Å; R51-Q53 VanDerWaalsContact O-N 3.08Å; R51-A60 PolarHBondContact N-O 2.95Å; R51-A60 PolarHBondContact O-N 3.32Å; R51-L62 HydrophobicContact CB-CD1 3.98Å
52	R	53.6	Low	58.8	Low	189 Å²	189	96.5 Å²	96.5	71%	0.713	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	107.8	171.9	-172	175.7	-177	170.9	4.4	110.9	Q50 F59	Q50-R52 PolarHBondContact O-N 3.2Å; R52-F59 HydrophobicContact CB-CD1 4.02Å; R52-F59 HydrophobicContact CB-CE1 4.09Å; R52-F59 HydrophobicContact CG-CE1 4.41Å
53	Q	53.1	Low	58.3	Low	99 Å²	99	96.7 Å²	96.7	46%	0.463	46%	0.458	S	S	.	.			trans	-70.4	146.3	171.1	-63.2	-168.3	3.7	0	0	110.2	R51 H55 A60	R51-Q53 PolarHBondContact O-N 3.3Å; R51-Q53 VanDerWaalsContact O-N 3.08Å; Q53-H55 PolarHBondContact O-N 2.96Å; Q53-A60 HydrophobicContact CG-CB 4.1Å
54	R	46.7	Very low	58	Low	234 Å²	234	90.5 Å²	90.5	88%	0.883	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12	-174.9	-98.7	-176.2	174.1	171.4	-1.1	115
55	H	44.8	Very low	57.7	Low	170 Å²	170	88 Å²	88	79%	0.787	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	3.8	-163	-50.7	-70.4	0	0	0	114.1	Q53	Q53-H55 PolarHBondContact O-N 2.96Å
56	R	48	Very low	57.6	Low	179 Å²	179	85.7 Å²	85.7	68%	0.675	38%	0.379	S	S	*	.			trans	-132.2	153.1	173.7	-70.8	-173.7	169.7	-173.6	-4.4	109.9	T58	R56-T58 VanDerWaalsContact C-N 3.32Å
57	K	46.2	Very low	57.3	Low	207 Å²	207	90.2 Å²	90.2	90%	0.9	40%	0.397	S	S	*	.	S	Bend	trans	-75.3	-23	173.7	-72.5	-178.5	-179	173.1	0	112.1
58	T	43.9	Very low	56.8	Low	96 Å²	96	93.6 Å²	93.6	59%	0.589	42%	0.42	S	S	*	.	S	Bend	trans	-75.1	149.6	177.1	48.7	0	0	0	0	112.3	R56	R56-T58 VanDerWaalsContact C-N 3.32Å
59	F	55.3	Low	56.3	Low	104 Å²	104	96.2 Å²	96.2	46%	0.456	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.8	166.4	-62.8	-91.1	0	0	0	108.9	Q50 R52	Q50-F59 HydrophobicContact CB-CB 4.32Å; Q50-F59 HydrophobicContact CB-CD1 4.02Å; Q50-F59 HydrophobicContact CB-CG 4.38Å; Q50-F59 HydrophobicContact CG-CB 4.44Å; R52-F59 HydrophobicContact CB-CD1 4.02Å; R52-F59 HydrophobicContact CB-CE1 4.09Å; R52-F59 HydrophobicContact CG-CE1 4.41Å
60	A	55.9	Low	55.9	Low	26 Å²	26	99.4 Å²	99.4	22%	0.215	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.5	163.4	0	0	0	0	0	107.1	R51 Q53	R51-A60 PolarHBondContact N-O 2.95Å; R51-A60 PolarHBondContact O-N 3.32Å; Q53-A60 HydrophobicContact CG-CB 4.1Å
61	E	59.6	Low	55.9	Low	64 Å²	64	99.1 Å²	99.1	30%	0.299	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124	174.6	-52.6	-155.6	131.9	0	0	108.2	R43 Y48 Q50	R43-E61 IonicContact CZ-OE2 3.68Å; R43-E61 IonicContact NH1-OE1 3.96Å; R43-E61 IonicContact NH1-OE2 2.8Å; R43-E61 PolarHBondContact NH1-OE2 3.04Å; Y48-E61 HydrophobicContact CD1-CB 4.18Å; Q50-E61 HydrophobicContact CG-CG 4.31Å; Q50-E61 PolarHBondContact NE2-OE1 3.29Å
62	L	60.3	Low	56.1	Low	11 Å²	11	100.2 Å²	100.2	6%	0.058	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.2	179.6	-68.8	161	0	0	0	108.4	Y49 R51 V64 K98 T99 W101	Y49-L62 HydrophobicContact CD1-CD1 4.39Å; Y49-L62 PolarHBondContact N-O 3.24Å; Y49-L62 PolarHBondContact O-N 2.96Å; R51-L62 HydrophobicContact CB-CD1 3.98Å; L62-V64 WeakPolarHBondContact O-CG2 3.36Å; L62-V64 PolarHBondContact O-N 3.06Å; L62-K98 VanDerWaalsContact CD2-O 3.29Å; L62-K98 WeakPolarHBondContact CD2-O 3.48Å; L62-T99 WeakPolarHBondContact CD2-O 3.2Å; L62-W101 HydrophobicContact CB-CB 3.64Å; L62-W101 HydrophobicContact CD1-CB 4.05Å; L62-W101 HydrophobicContact CD1-CD2 4.47Å; L62-W101 HydrophobicContact CD1-CE3 4.38Å; L62-W101 HydrophobicContact CD1-CG 4.35Å; L62-W101 HydrophobicContact CG-CB 4.38Å
63	E	60.8	Low	57	Low	41 Å²	41	95.5 Å²	95.5	19%	0.192	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134	178.8	-78.9	-179.5	-175.5	0	0	111	T46 Y48 Y100 W101	T46-E63 HydrophobicContact CG2-CG 4.49Å; Y48-E63 HydrophobicContact CD1-CG 3.69Å; Y48-E63 HydrophobicContact CE1-CG 3.2Å; Y48-E63 WeakPolarHBondContact CE1-OE1 3.25Å; Y48-E63 PolarHBondContact OH-OE1 3.03Å; E63-Y100 HydrophobicContact CB-CD1 3.82Å; E63-Y100 HydrophobicContact CB-CE1 4.11Å; E63-W101 PolarHBondContact O-N 3.07Å
64	V	62.8	Low	57.9	Low	19 Å²	19	92.6 Å²	92.6	12%	0.115	42%	0.422	C	S	.	.			trans	-104.6	-32.4	-166.7	-174	0	0	0	0	112.7	Y40 L47 Y49 L62 W102	Y40-V64 HydrophobicContact CD1-CG2 3.89Å; Y40-V64 HydrophobicContact CE1-CG1 4.01Å; Y40-V64 HydrophobicContact CE1-CG2 3.86Å; L47-V64 HydrophobicContact CD2-CB 3.85Å; L47-V64 HydrophobicContact CD2-CG1 4.01Å; L47-V64 HydrophobicContact CD2-CG2 3.97Å; L47-V64 WeakPolarHBondContact O-CB 3.43Å; L47-V64 WeakPolarHBondContact O-CG2 3.46Å; L47-V64 PolarHBondContact O-N 3.47Å; L47-V64 VanDerWaalsContact O-N 3.08Å; Y49-V64 VanDerWaalsContact CB-CG2 3.5Å; Y49-V64 VanDerWaalsContact N-CG2 3.28Å; L62-V64 WeakPolarHBondContact O-CG2 3.36Å; L62-V64 PolarHBondContact O-N 3.06Å; V64-W102 VanDerWaalsContact O-CB 3.3Å; V64-W102 WeakPolarHBondContact O-CB 3.5Å
65	V	56.7	Low	59.2	Low	35 Å²	35	81.7 Å²	81.7	21%	0.212	38%	0.381	C	S	.	.			trans	-136.3	114.6	-178.2	175.5	0	0	0	0	110.6	Y7	Y7-V65 HydrophobicContact CD1-CG1 4.29Å; Y7-V65 HydrophobicContact CD1-CG2 4.19Å; Y7-V65 HydrophobicContact CD2-CB 4.1Å; Y7-V65 HydrophobicContact CD2-CG2 3.35Å; Y7-V65 HydrophobicContact CE1-CB 4.14Å; Y7-V65 HydrophobicContact CE1-CG1 3.83Å; Y7-V65 HydrophobicContact CE1-CG2 4.22Å; Y7-V65 HydrophobicContact CE2-CB 3.57Å; Y7-V65 HydrophobicContact CE2-CG1 4.2Å; Y7-V65 HydrophobicContact CE2-CG2 3.35Å; Y7-V65 HydrophobicContact CG-CG2 3.76Å
66	L	58.3	Low	60.6	Low	5 Å²	5	77.8 Å²	77.8	3%	0.026	36%	0.363	C	S	.	.			trans	-96.3	156.1	162.3	-63.8	155.6	0	0	0	108.1	R70 R71 L74 Y100 W102	L66-R70 HydrophobicContact CD2-CG 4.18Å; L66-R71 HydrophobicContact CB-CG 3.69Å; L66-R71 HydrophobicContact CD1-CG 4.44Å; L66-R71 PolarHBondContact O-NE 3.05Å; L66-R71 PolarHBondContact O-NH2 3.43Å; L66-L74 HydrophobicContact CD1-CD1 3.5Å; L66-L74 VanDerWaalsContact CD1-CD1 3.5Å; L66-L74 HydrophobicContact CD2-CD1 3.6Å; L66-L74 HydrophobicContact CG-CD1 4.14Å; L66-Y100 HydrophobicContact CD1-CD1 3.83Å; L66-Y100 HydrophobicContact CD1-CE1 4.15Å; L66-Y100 HydrophobicContact CD1-CG 4.17Å; L66-Y100 HydrophobicContact CD2-CD1 4.48Å; L66-Y100 HydrophobicContact CD2-CE1 4.15Å; L66-Y100 HydrophobicContact CG-CD1 4.38Å; L66-W102 HydrophobicContact CD1-CE3 4.14Å; L66-W102 HydrophobicContact CD1-CZ3 3.84Å
67	Q	56.8	Low	61.8	Low	135 Å²	135	72.6 Å²	72.6	63%	0.631	36%	0.359	S	S	*	.			trans	-68.3	162.1	171.6	-80.1	168.4	-37.5	0	0	112.1	E69 R70 R71	Q67-E69 PolarHBondContact O-N 3.21Å; Q67-R70 HydrophobicContact CB-CB 4.45Å; Q67-R70 PolarHBondContact O-N 3.23Å; Q67-R71 WeakPolarHBondContact O-CG 3.32Å; Q67-R71 PolarHBondContact O-N 3.11Å
68	P	56.9	Low	63.1	Low	75 Å²	75	62.9 Å²	62.9	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-39.1	-176.4	-25.2	36.6	0	0	0	114.7
69	E	59.3	Low	64.7	Low	99 Å²	99	58.3 Å²	58.3	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-62.2	171	-61.5	65.9	-122	0	0	109.1	Q67 R71 R72 D73	Q67-E69 PolarHBondContact O-N 3.21Å; E69-R71 CarbonylContact O-C 3.58Å; E69-R71 PolarHBondContact O-N 3.17Å; E69-R72 WeakPolarHBondContact O-CA 3.48Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.43Å; E69-R72 IonicContact OE1-NH2 2.92Å; E69-D73 VanDerWaalsContact O-CG 3.26Å; E69-D73 PolarHBondContact O-N 3.41Å; E69-D73 VanDerWaalsContact O-OD1 3.12Å
70	R	64.3	Low	65.8	Low	124 Å²	124	56.5 Å²	56.5	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-54.3	-20.5	-178.2	-157.3	175.8	176.9	-153.8	-4.4	114.8	L66 Q67 D73 L74	L66-R70 HydrophobicContact CD2-CG 4.18Å; Q67-R70 HydrophobicContact CB-CB 4.45Å; Q67-R70 PolarHBondContact O-N 3.23Å; R70-D73 VanDerWaalsContact CA-OD2 3.26Å; R70-D73 WeakPolarHBondContact CA-OD2 3.49Å; R70-D73 PolarHBondContact N-OD2 2.88Å; R70-L74 HydrophobicContact CG-CD1 4.21Å; R70-L74 WeakPolarHBondContact O-CB 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.34Å; R70-L74 WeakPolarHBondContact O-CG 3.41Å; R70-L74 PolarHBondContact O-N 3.18Å
71	R	67.7	Low	66.6	Low	50 Å²	50	55.6 Å²	55.6	19%	0.189	28%	0.277	C	S	.	.	H	α-helix	trans	-75.6	-39	169.4	-75.5	-179.6	-144.3	164.3	15	113.5	L66 Q67 E69 I75 W102	L66-R71 HydrophobicContact CB-CG 3.69Å; L66-R71 HydrophobicContact CD1-CG 4.44Å; L66-R71 PolarHBondContact O-NE 3.05Å; L66-R71 PolarHBondContact O-NH2 3.43Å; Q67-R71 WeakPolarHBondContact O-CG 3.32Å; Q67-R71 PolarHBondContact O-N 3.11Å; E69-R71 CarbonylContact O-C 3.58Å; E69-R71 PolarHBondContact O-N 3.17Å; R71-I75 WeakPolarHBondContact O-CB 3.46Å; R71-I75 WeakPolarHBondContact O-CD1 3.37Å; R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.18Å; R71-I75 VanDerWaalsContact O-N 3.08Å; R71-W102 HydrophobicContact CB-CH2 4.09Å; R71-W102 HydrophobicContact CB-CZ2 4.45Å; R71-W102 HydrophobicContact CG-CH2 3.97Å; R71-W102 HydrophobicContact CG-CZ2 4.27Å; R71-W102 HydrophobicContact CG-CZ3 4.1Å
72	R	67.7	Low	66.4	Low	142 Å²	142	58.8 Å²	58.8	54%	0.536	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-54.2	173.5	-69.7	-176.1	-78.3	166.8	-4.5	108.9	E69 L74 I75 E76	E69-R72 WeakPolarHBondContact O-CA 3.48Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.43Å; E69-R72 IonicContact OE1-NH2 2.92Å; R72-L74 VanDerWaalsContact C-N 3.29Å; R72-L74 PolarHBondContact O-N 3.19Å; R72-I75 CarbonylContact O-C 3.58Å; R72-I75 WeakPolarHBondContact O-CA 3.44Å; R72-I75 PolarHBondContact O-N 3.12Å; R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.36Å
73	D	71.9	Confident	66.2	Low	90 Å²	90	62.1 Å²	62.1	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-56.8	-41.3	-177.2	-35.4	-27	0	0	0	112.1	E69 R70 E76 A77	E69-D73 VanDerWaalsContact O-CG 3.26Å; E69-D73 PolarHBondContact O-N 3.41Å; E69-D73 VanDerWaalsContact O-OD1 3.12Å; R70-D73 VanDerWaalsContact CA-OD2 3.26Å; R70-D73 WeakPolarHBondContact CA-OD2 3.49Å; R70-D73 PolarHBondContact N-OD2 2.88Å; D73-E76 PolarHBondContact O-N 3.23Å; D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.79Å
74	L	72.1	Confident	66.5	Low	39 Å²	39	62.5 Å²	62.5	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-76.3	-27.3	176.2	-75.9	169.2	0	0	0	113.9	L66 R70 R72 A78 Y100	L66-L74 HydrophobicContact CD1-CD1 3.5Å; L66-L74 VanDerWaalsContact CD1-CD1 3.5Å; L66-L74 HydrophobicContact CD2-CD1 3.6Å; L66-L74 HydrophobicContact CG-CD1 4.14Å; R70-L74 HydrophobicContact CG-CD1 4.21Å; R70-L74 WeakPolarHBondContact O-CB 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.34Å; R70-L74 WeakPolarHBondContact O-CG 3.41Å; R70-L74 PolarHBondContact O-N 3.18Å; R72-L74 VanDerWaalsContact C-N 3.29Å; R72-L74 PolarHBondContact O-N 3.19Å; L74-A78 WeakPolarHBondContact O-CB 3.36Å; L74-A78 PolarHBondContact O-N 3.39Å; L74-Y100 HydrophobicContact CD1-CE1 4.32Å; L74-Y100 HydrophobicContact CD1-CE2 4.16Å; L74-Y100 HydrophobicContact CD2-CE2 4.32Å
75	I	73.9	Confident	66.8	Low	5 Å²	5	65.6 Å²	65.6	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-42.6	168.4	-69.4	165.4	0	0	0	109.6	R71 R72 A78 H79 L96 W102 Q108 V109 Y112	R71-I75 WeakPolarHBondContact O-CB 3.46Å; R71-I75 WeakPolarHBondContact O-CD1 3.37Å; R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.18Å; R71-I75 VanDerWaalsContact O-N 3.08Å; R72-I75 CarbonylContact O-C 3.58Å; R72-I75 WeakPolarHBondContact O-CA 3.44Å; R72-I75 PolarHBondContact O-N 3.12Å; I75-A78 CarbonylContact O-C 3.48Å; I75-A78 PolarHBondContact O-N 3.32Å; I75-H79 WeakPolarHBondContact O-CB 3.4Å; I75-H79 PolarHBondContact O-N 3.01Å; I75-L96 HydrophobicContact CG1-CD1 3.97Å; I75-W102 HydrophobicContact CD1-CH2 3.9Å; I75-W102 HydrophobicContact CD1-CZ2 4Å; I75-W102 HydrophobicContact CG1-CH2 3.96Å; I75-Q108 HydrophobicContact CD1-CB 4.04Å; I75-V109 HydrophobicContact CD1-CG2 4.19Å; I75-V109 HydrophobicContact CG1-CG2 3.96Å; I75-V109 HydrophobicContact CG2-CG2 4.14Å; I75-Y112 HydrophobicContact CG2-CD1 3.45Å; I75-Y112 VanDerWaalsContact CG2-CD1 3.45Å; I75-Y112 HydrophobicContact CG2-CD2 4.25Å; I75-Y112 HydrophobicContact CG2-CE1 4.02Å; I75-Y112 HydrophobicContact CG2-CG 3.61Å
76	E	73.6	Confident	67.7	Low	87 Å²	87	66.6 Å²	66.6	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-54.7	178.8	-171.6	145	157.7	0	0	111.3	R72 D73 A78 H79 L80 Y112	R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.36Å; D73-E76 PolarHBondContact O-N 3.23Å; E76-A78 PolarHBondContact O-N 3.19Å; E76-H79 PolarHBondContact O-N 3.1Å; E76-L80 HydrophobicContact CG-CD1 3.86Å; E76-L80 WeakPolarHBondContact O-CB 3.11Å; E76-L80 PolarHBondContact O-N 2.83Å; E76-Y112 HydrophobicContact CB-CE2 4.42Å; E76-Y112 VanDerWaalsContact CB-OH 3.31Å; E76-Y112 WeakPolarHBondContact CB-OH 3.48Å; E76-Y112 WeakPolarHBondContact CG-OH 3.39Å; E76-Y112 PolarHBondContact OE2-OH 3.1Å
77	A	74.3	Confident	68.5	Low	70 Å²	70	69.4 Å²	69.4	58%	0.579	39%	0.39	S	S	*	.	H	α-helix	trans	-66.8	-18.3	176.7	0	0	0	0	0	114.4	D73	D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.79Å
78	A	73.3	Confident	69.2	Low	4 Å²	4	66.8 Å²	66.8	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-89.2	-21	170.6	0	0	0	0	0	113.1	L74 I75 E76 H87 T92 Y95 L96	L74-A78 WeakPolarHBondContact O-CB 3.36Å; L74-A78 PolarHBondContact O-N 3.39Å; I75-A78 CarbonylContact O-C 3.48Å; I75-A78 PolarHBondContact O-N 3.32Å; E76-A78 PolarHBondContact O-N 3.19Å; A78-H87 PolarHBondContact O-ND1 3.2Å; A78-T92 HydrophobicContact CB-CG2 4.2Å; A78-Y95 HydrophobicContact CB-CD1 3.71Å; A78-Y95 HydrophobicContact CB-CE1 4.31Å; A78-L96 HydrophobicContact CB-CD1 4.11Å; A78-L96 HydrophobicContact CB-CD2 3.77Å; A78-L96 HydrophobicContact CB-CG 3.68Å
79	H	76.3	Confident	69.9	Low	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-88.3	-42.8	179.8	-177.6	48.9	0	0	0	110.8	I75 E76 G81 H86 H87 T92 Y112 C119	I75-H79 WeakPolarHBondContact O-CB 3.4Å; I75-H79 PolarHBondContact O-N 3.01Å; E76-H79 PolarHBondContact O-N 3.1Å; H79-G81 PolarHBondContact O-N 3.47Å; H79-H86 AromaticContact CD2-ND1 3.52Å; H79-H86 AromaticContact CE1-ND1 3.83Å; H79-H86 AromaticContact NE2-CG 3.85Å; H79-H86 AromaticContact NE2-ND1 3.01Å; H79-H86 PolarHBondContact NE2-ND1 3.13Å; H79-H87 PolarHBondContact CE1-O 2.56Å; H79-H87 PolarHBondContact ND1-O 2.92Å; H79-H87 WeakPolarHBondContact O-CB 3.35Å; H79-H87 PolarHBondContact O-N 2.88Å; H79-H87 PolarHBondContact O-ND1 3.29Å; H79-T92 HydrophobicContact CB-CG2 4.01Å; H79-T92 PolarHBondContact ND1-OG1 3.08Å; H79-Y112 HydrophobicContact CB-CE1 4.41Å; H79-Y112 AromaticContact CD2-CE1 3.91Å; H79-C119 PolarHBondContact CE1-SG 2.96Å; H79-C119 PolarHBondContact NE2-SG 3.49Å; H79-C119 VanDerWaalsContact NE2-SG 3.4Å
80	L	79.3	Confident	70.4	Confident	65 Å²	65	68.6 Å²	68.6	34%	0.34	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	108.2	172.9	-60.9	175.2	0	0	0	109.8	E76 H86	E76-L80 HydrophobicContact CG-CD1 3.86Å; E76-L80 WeakPolarHBondContact O-CB 3.11Å; E76-L80 PolarHBondContact O-N 2.83Å; L80-H86 VanDerWaalsContact CD2-CE1 3.5Å; L80-H86 WeakPolarHBondContact CD2-CE1 3.05Å
81	G	72.3	Confident	70.8	Confident	7 Å²	7	67.5 Å²	67.5	7%	0.072	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	163.8	171.7	0	0	0	0	0	112.8	H79 G83 G84 T85 H87	H79-G81 PolarHBondContact O-N 3.47Å; G81-G83 PolarHBondContact O-N 3.19Å; G81-G84 PolarHBondContact O-N 3.2Å; G81-T85 PolarHBondContact N-O 3.43Å; G81-H87 WeakPolarHBondContact CA-CE1 3.44Å
82	P	55	Low	71.1	Confident	131 Å²	131	65.1 Å²	65.1	85%	0.851	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	128	170.8	25	-33.6	0	0	0	109.5
83	G	57.4	Low	71.4	Confident	81 Å²	81	63.1 Å²	63.1	84%	0.835	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	16.1	-169.8	0	0	0	0	0	115.4	G81 T85	G81-G83 PolarHBondContact O-N 3.19Å; G83-T85 VanDerWaalsContact C-N 3.31Å; G83-T85 PolarHBondContact O-N 3.37Å
84	G	66.1	Low	71.4	Confident	50 Å²	50	63.8 Å²	63.8	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	17.2	172.3	0	0	0	0	0	115	G81	G81-G84 PolarHBondContact O-N 3.2Å
85	T	69.7	Low	71.5	Confident	84 Å²	84	69 Å²	69	52%	0.515	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.2	-177.1	50	0	0	0	0	111.5	G81 G83 H87	G81-T85 PolarHBondContact N-O 3.43Å; G83-T85 VanDerWaalsContact C-N 3.31Å; G83-T85 PolarHBondContact O-N 3.37Å; T85-H87 PolarHBondContact O-N 3.47Å
86	H	76.1	Confident	71.3	Confident	56 Å²	56	68.9 Å²	68.9	26%	0.259	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.6	-179.5	-71.5	-102.3	0	0	0	112	H79 L80 C116 K118	H79-H86 AromaticContact CD2-ND1 3.52Å; H79-H86 AromaticContact CE1-ND1 3.83Å; H79-H86 AromaticContact NE2-CG 3.85Å; H79-H86 AromaticContact NE2-ND1 3.01Å; H79-H86 PolarHBondContact NE2-ND1 3.13Å; L80-H86 VanDerWaalsContact CD2-CE1 3.5Å; L80-H86 WeakPolarHBondContact CD2-CE1 3.05Å; H86-C116 PolarHBondContact CE1-SG 3.35Å; H86-C116 PolarHBondContact ND1-SG 2.89Å; H86-K118 WeakPolarHBondContact NE2-CD 3.44Å
87	H	75.2	Confident	71.1	Confident	63 Å²	63	65.6 Å²	65.6	29%	0.292	37%	0.368	S	S	.	.			trans	-68.5	142.6	175.6	-72.6	113.4	0	0	0	112.5	A78 H79 G81 T85 Q91 T92	A78-H87 PolarHBondContact O-ND1 3.2Å; H79-H87 PolarHBondContact CE1-O 2.56Å; H79-H87 PolarHBondContact ND1-O 2.92Å; H79-H87 WeakPolarHBondContact O-CB 3.35Å; H79-H87 PolarHBondContact O-N 2.88Å; H79-H87 PolarHBondContact O-ND1 3.29Å; G81-H87 WeakPolarHBondContact CA-CE1 3.44Å; T85-H87 PolarHBondContact O-N 3.47Å; H87-Q91 HydrophobicContact CB-CB 4.14Å; H87-T92 PolarHBondContact O-OG1 2.99Å
88	T	71.3	Confident	70.8	Confident	80 Å²	80	68.6 Å²	68.6	49%	0.491	37%	0.368	S	S	.	.			trans	-61.7	158	175.1	66.1	0	0	0	0	112	H90 Q91 T92	T88-H90 PolarHBondContact O-N 2.64Å; T88-H90 VanDerWaalsContact O-N 3.1Å; T88-Q91 PolarHBondContact O-N 3Å; T88-Q91 VanDerWaalsContact OG1-CD 3.29Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.27Å; T88-Q91 PolarHBondContact OG1-N 3.15Å; T88-Q91 PolarHBondContact OG1-OE1 3.15Å; T88-T92 WeakPolarHBondContact O-CB 3.36Å; T88-T92 PolarHBondContact O-N 3.49Å; T88-T92 PolarHBondContact O-OG1 3.32Å
89	R	71.8	Confident	70.1	Confident	103 Å²	103	71.8 Å²	71.8	39%	0.389	39%	0.387	S	S	.	.	H	α-helix	trans	-49.5	-37.8	175.8	-173.9	-172.3	68.2	-148	-1.1	113.6	W93 V109 I113	R89-W93 WeakPolarHBondContact O-CB 3.45Å; R89-W93 PolarHBondContact O-N 3.47Å; R89-W93 VanDerWaalsContact O-N 3.17Å; R89-V109 HydrophobicContact CG-CG1 4.28Å; R89-I113 HydrophobicContact CB-CD1 3.99Å; R89-I113 HydrophobicContact CG-CD1 4.39Å
90	H	69.1	Low	69.5	Low	110 Å²	110	73.8 Å²	73.8	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-77.3	-37.1	179.8	-73.3	-79.4	0	0	0	112.7	T88 H94	T88-H90 PolarHBondContact O-N 2.64Å; T88-H90 VanDerWaalsContact O-N 3.1Å; H90-H94 WeakPolarHBondContact O-CB 3.37Å; H90-H94 PolarHBondContact O-N 3.44Å
91	Q	72.2	Confident	68.5	Low	101 Å²	101	75.6 Å²	75.6	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-66.9	-49	173.5	-73.7	158.6	-40.1	0	0	111.3	H87 T88 W93 H94 Y95	H87-Q91 HydrophobicContact CB-CB 4.14Å; T88-Q91 PolarHBondContact O-N 3Å; T88-Q91 VanDerWaalsContact OG1-CD 3.29Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.27Å; T88-Q91 PolarHBondContact OG1-N 3.15Å; T88-Q91 PolarHBondContact OG1-OE1 3.15Å; Q91-W93 VanDerWaalsContact C-N 3.33Å; Q91-W93 PolarHBondContact O-N 3.28Å; Q91-H94 CarbonylContact O-C 3.48Å; Q91-H94 PolarHBondContact O-N 3.39Å; Q91-Y95 PolarHBondContact O-N 3.49Å
92	T	74.4	Confident	68.1	Low	0 Å²	0	76.5 Å²	76.5	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-55.1	-47.6	177.4	-50.5	0	0	0	0	111	A78 H79 H87 T88 Y95 L96 V109	A78-T92 HydrophobicContact CB-CG2 4.2Å; H79-T92 HydrophobicContact CB-CG2 4.01Å; H79-T92 PolarHBondContact ND1-OG1 3.08Å; H87-T92 PolarHBondContact O-OG1 2.99Å; T88-T92 WeakPolarHBondContact O-CB 3.36Å; T88-T92 PolarHBondContact O-N 3.49Å; T88-T92 PolarHBondContact O-OG1 3.32Å; T92-Y95 PolarHBondContact O-N 2.94Å; T92-L96 HydrophobicContact CG2-CD1 4.27Å; T92-L96 WeakPolarHBondContact O-CG 3.43Å; T92-L96 PolarHBondContact O-N 3.02Å; T92-L96 VanDerWaalsContact O-N 3.1Å; T92-V109 HydrophobicContact CG2-CG1 3.79Å; T92-V109 HydrophobicContact CG2-CG2 4.36Å
93	W	74.4	Confident	67.9	Low	99 Å²	99	80.7 Å²	80.7	38%	0.375	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-39	174.3	173.5	81	0	0	0	113.3	R89 Q91 Y95 S97 L106	R89-W93 WeakPolarHBondContact O-CB 3.45Å; R89-W93 PolarHBondContact O-N 3.47Å; R89-W93 VanDerWaalsContact O-N 3.17Å; Q91-W93 VanDerWaalsContact C-N 3.33Å; Q91-W93 PolarHBondContact O-N 3.28Å; W93-Y95 VanDerWaalsContact C-N 3.33Å; W93-S97 VanDerWaalsContact O-CB 3.25Å; W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.96Å; W93-S97 PolarHBondContact O-OG 3.43Å; W93-L106 HydrophobicContact CB-CD1 4.13Å; W93-L106 HydrophobicContact CG-CD1 3.92Å
94	H	71.9	Confident	67.9	Low	104 Å²	104	78 Å²	78	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-74	-22.3	179.7	-175.9	-124.7	0	0	0	113.3	H90 Q91 K98	H90-H94 WeakPolarHBondContact O-CB 3.37Å; H90-H94 PolarHBondContact O-N 3.44Å; Q91-H94 CarbonylContact O-C 3.48Å; Q91-H94 PolarHBondContact O-N 3.39Å; H94-K98 WeakPolarHBondContact O-CD 3.43Å; H94-K98 WeakPolarHBondContact O-CE 3.27Å; H94-K98 WeakPolarHBondContact O-CG 3.44Å
95	Y	72.9	Confident	68	Low	149 Å²	149	76 Å²	76	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-72.5	-59.5	167.9	-170.9	-97.6	0	0	0	109.9	A78 Q91 T92 W93 S97 K98	A78-Y95 HydrophobicContact CB-CD1 3.71Å; A78-Y95 HydrophobicContact CB-CE1 4.31Å; Q91-Y95 PolarHBondContact O-N 3.49Å; T92-Y95 PolarHBondContact O-N 2.94Å; W93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 2.96Å; Y95-K98 WeakPolarHBondContact O-CB 3.49Å; Y95-K98 PolarHBondContact O-N 2.97Å; Y95-K98 VanDerWaalsContact O-N 3.14Å
96	L	71.1	Confident	67.7	Low	2 Å²	2	76 Å²	76	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-40.4	-178.4	-72.8	168.5	0	0	0	113.7	I75 A78 T92 K98 T99 Y100 I105 V109	I75-L96 HydrophobicContact CG1-CD1 3.97Å; A78-L96 HydrophobicContact CB-CD1 4.11Å; A78-L96 HydrophobicContact CB-CD2 3.77Å; A78-L96 HydrophobicContact CB-CG 3.68Å; T92-L96 HydrophobicContact CG2-CD1 4.27Å; T92-L96 WeakPolarHBondContact O-CG 3.43Å; T92-L96 PolarHBondContact O-N 3.02Å; T92-L96 VanDerWaalsContact O-N 3.1Å; L96-K98 PolarHBondContact O-N 3.49Å; L96-T99 PolarHBondContact O-N 3.22Å; L96-T99 PolarHBondContact O-OG1 3.49Å; L96-Y100 HydrophobicContact CD2-CD2 4.07Å; L96-Y100 PolarHBondContact O-N 3.26Å; L96-I105 HydrophobicContact CB-CG2 4.09Å; L96-I105 HydrophobicContact CD1-CG2 3.93Å; L96-V109 HydrophobicContact CD1-CG2 3.66Å
97	S	69	Low	67.4	Low	19 Å²	19	80 Å²	80	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-75.4	-0.7	-177.1	60	0	0	0	0	115.5	W93 Y95	W93-S97 VanDerWaalsContact O-CB 3.25Å; W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.96Å; W93-S97 PolarHBondContact O-OG 3.43Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 2.96Å
98	K	67.3	Low	67	Low	132 Å²	132	80.6 Å²	80.6	57%	0.574	36%	0.364	S	S	*	.	H	α-helix	trans	-82.1	-31.8	169.1	-71	169.4	-179.3	-180	0	112.9	L62 H94 Y95 L96	L62-K98 VanDerWaalsContact CD2-O 3.29Å; L62-K98 WeakPolarHBondContact CD2-O 3.48Å; H94-K98 WeakPolarHBondContact O-CD 3.43Å; H94-K98 WeakPolarHBondContact O-CE 3.27Å; H94-K98 WeakPolarHBondContact O-CG 3.44Å; Y95-K98 WeakPolarHBondContact O-CB 3.49Å; Y95-K98 PolarHBondContact O-N 2.97Å; Y95-K98 VanDerWaalsContact O-N 3.14Å; L96-K98 PolarHBondContact O-N 3.49Å
99	T	59.6	Low	67.1	Low	71 Å²	71	76.8 Å²	76.8	44%	0.436	34%	0.34	S	S	.	.	H	α-helix	trans	-111.9	-36.4	-173.7	41.4	0	0	0	0	112.7	L62 L96	L62-T99 WeakPolarHBondContact CD2-O 3.2Å; L96-T99 PolarHBondContact O-N 3.22Å; L96-T99 PolarHBondContact O-OG1 3.49Å
100	Y	63.3	Low	67.2	Low	43 Å²	43	76.6 Å²	76.6	17%	0.169	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-117	143.5	-175.1	-56.2	-71.5	0	0	0	112.2	E63 L66 L74 L96	E63-Y100 HydrophobicContact CB-CD1 3.82Å; E63-Y100 HydrophobicContact CB-CE1 4.11Å; L66-Y100 HydrophobicContact CD1-CD1 3.83Å; L66-Y100 HydrophobicContact CD1-CE1 4.15Å; L66-Y100 HydrophobicContact CD1-CG 4.17Å; L66-Y100 HydrophobicContact CD2-CD1 4.48Å; L66-Y100 HydrophobicContact CD2-CE1 4.15Å; L66-Y100 HydrophobicContact CG-CD1 4.38Å; L74-Y100 HydrophobicContact CD1-CE1 4.32Å; L74-Y100 HydrophobicContact CD1-CE2 4.16Å; L74-Y100 HydrophobicContact CD2-CE2 4.32Å; L96-Y100 HydrophobicContact CD2-CD2 4.07Å; L96-Y100 PolarHBondContact O-N 3.26Å
101	W	58.4	Low	67.5	Low	103 Å²	103	73.9 Å²	73.9	39%	0.39	33%	0.331	S	S	.	.			trans	-133.2	65.9	-176.7	-172.7	-97	0	0	0	112.2	Y49 L62 E63	Y49-W101 AromaticContact CD1-CD1 3.42Å; Y49-W101 VanDerWaalsContact CD1-CD1 3.42Å; Y49-W101 HydrophobicContact CD1-CD2 4.34Å; Y49-W101 AromaticContact CD1-CG 3.9Å; Y49-W101 HydrophobicContact CD1-CG 3.9Å; Y49-W101 AromaticContact CD1-NE1 3.61Å; Y49-W101 AromaticContact CE1-CD1 3.96Å; Y49-W101 HydrophobicContact CE1-CG 4.49Å; Y49-W101 AromaticContact CE1-NE1 3.64Å; Y49-W101 AromaticContact CG-CD1 3.81Å; L62-W101 HydrophobicContact CB-CB 3.64Å; L62-W101 HydrophobicContact CD1-CB 4.05Å; L62-W101 HydrophobicContact CD1-CD2 4.47Å; L62-W101 HydrophobicContact CD1-CE3 4.38Å; L62-W101 HydrophobicContact CD1-CG 4.35Å; L62-W101 HydrophobicContact CG-CB 4.38Å; E63-W101 PolarHBondContact O-N 3.07Å
102	W	64.7	Low	67.6	Low	26 Å²	26	70.8 Å²	70.8	10%	0.098	32%	0.316	C	S	.	.			trans	-97.5	139.8	170.8	92.9	78.3	0	0	0	112.4	V64 L66 R71 I75 G104 I105 Q108	V64-W102 VanDerWaalsContact O-CB 3.3Å; V64-W102 WeakPolarHBondContact O-CB 3.5Å; L66-W102 HydrophobicContact CD1-CE3 4.14Å; L66-W102 HydrophobicContact CD1-CZ3 3.84Å; R71-W102 HydrophobicContact CB-CH2 4.09Å; R71-W102 HydrophobicContact CB-CZ2 4.45Å; R71-W102 HydrophobicContact CG-CH2 3.97Å; R71-W102 HydrophobicContact CG-CZ2 4.27Å; R71-W102 HydrophobicContact CG-CZ3 4.1Å; I75-W102 HydrophobicContact CD1-CH2 3.9Å; I75-W102 HydrophobicContact CD1-CZ2 4Å; I75-W102 HydrophobicContact CG1-CH2 3.96Å; W102-G104 PolarHBondContact O-N 3.38Å; W102-I105 HydrophobicContact CB-CG1 4.47Å; W102-I105 HydrophobicContact CD2-CB 4.39Å; W102-I105 HydrophobicContact CD2-CD1 4.25Å; W102-I105 HydrophobicContact CD2-CG1 3.29Å; W102-I105 HydrophobicContact CE3-CD1 4.24Å; W102-I105 HydrophobicContact CE3-CG1 3.62Å; W102-I105 HydrophobicContact CG-CD1 4.5Å; W102-I105 HydrophobicContact CG-CG1 3.66Å; W102-I105 HydrophobicContact CH2-CG1 4.33Å; W102-I105 HydrophobicContact CZ2-CB 4.43Å; W102-I105 HydrophobicContact CZ2-CG1 4.07Å; W102-I105 HydrophobicContact CZ3-CG1 4.11Å; W102-I105 WeakPolarHBondContact O-CG1 3.44Å; W102-Q108 HydrophobicContact CZ2-CB 4.23Å
103	R	50.6	Low	67.4	Low	218 Å²	218	71.8 Å²	71.8	82%	0.823	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	63.8	-177.3	-170	169.3	172.6	154	1	111.5	M1	M1-R103 WeakPolarHBondContact O-CD 3.24Å
104	G	57.1	Low	67.3	Low	26 Å²	26	73.3 Å²	73.3	27%	0.268	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	179.9	-9.5	-176.9	0	0	0	0	0	115.6	W102 L106 K107 Q108	W102-G104 PolarHBondContact O-N 3.38Å; G104-L106 VanDerWaalsContact C-N 3.3Å; G104-L106 PolarHBondContact O-N 2.86Å; G104-L106 VanDerWaalsContact O-N 3.14Å; G104-K107 PolarHBondContact O-N 3.17Å; G104-Q108 PolarHBondContact O-N 3.42Å; G104-Q108 VanDerWaalsContact O-N 3.11Å
105	I	67.8	Low	67.1	Low	8 Å²	8	75.7 Å²	75.7	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-47	-51.3	-172.7	-59.5	163.4	0	0	0	111.5	L96 W102 K107 Q108 V109	L96-I105 HydrophobicContact CB-CG2 4.09Å; L96-I105 HydrophobicContact CD1-CG2 3.93Å; W102-I105 HydrophobicContact CB-CG1 4.47Å; W102-I105 HydrophobicContact CD2-CB 4.39Å; W102-I105 HydrophobicContact CD2-CD1 4.25Å; W102-I105 HydrophobicContact CD2-CG1 3.29Å; W102-I105 HydrophobicContact CE3-CD1 4.24Å; W102-I105 HydrophobicContact CE3-CG1 3.62Å; W102-I105 HydrophobicContact CG-CD1 4.5Å; W102-I105 HydrophobicContact CG-CG1 3.66Å; W102-I105 HydrophobicContact CH2-CG1 4.33Å; W102-I105 HydrophobicContact CZ2-CB 4.43Å; W102-I105 HydrophobicContact CZ2-CG1 4.07Å; W102-I105 HydrophobicContact CZ3-CG1 4.11Å; W102-I105 WeakPolarHBondContact O-CG1 3.44Å; I105-K107 PolarHBondContact O-N 3.34Å; I105-Q108 PolarHBondContact O-N 2.72Å; I105-V109 HydrophobicContact CG2-CG2 3.69Å; I105-V109 VanDerWaalsContact O-CB 3.29Å; I105-V109 WeakPolarHBondContact O-CB 3.48Å; I105-V109 VanDerWaalsContact O-CG2 3.27Å; I105-V109 WeakPolarHBondContact O-CG2 3.34Å; I105-V109 PolarHBondContact O-N 2.69Å
106	L	63.6	Low	67.2	Low	83 Å²	83	69.4 Å²	69.4	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-26.4	-176.4	-169.9	65.4	0	0	0	113.9	W93 G104 K110	W93-L106 HydrophobicContact CB-CD1 4.13Å; W93-L106 HydrophobicContact CG-CD1 3.92Å; G104-L106 VanDerWaalsContact C-N 3.3Å; G104-L106 PolarHBondContact O-N 2.86Å; G104-L106 VanDerWaalsContact O-N 3.14Å; L106-K110 VanDerWaalsContact O-CB 3.24Å; L106-K110 WeakPolarHBondContact O-CB 3.47Å; L106-K110 PolarHBondContact O-N 2.93Å
107	K	69.2	Low	67	Low	141 Å²	141	72.9 Å²	72.9	61%	0.613	34%	0.344	S	S	*	.	H	α-helix	trans	-77.5	-51.7	172.8	-159.2	-151.3	172.6	-156.2	0	110.2	G104 I105 V109 K110 D111	G104-K107 PolarHBondContact O-N 3.17Å; I105-K107 PolarHBondContact O-N 3.34Å; K107-V109 PolarHBondContact O-N 2.92Å; K107-K110 CarbonylContact O-C 3.58Å; K107-K110 WeakPolarHBondContact O-CA 3.45Å; K107-K110 WeakPolarHBondContact O-CB 3.46Å; K107-K110 PolarHBondContact O-N 2.94Å; K107-D111 WeakPolarHBondContact CD-OD2 3.38Å; K107-D111 WeakPolarHBondContact CE-OD2 3.45Å; K107-D111 WeakPolarHBondContact CG-OD2 3.49Å; K107-D111 IonicContact NZ-OD2 2.74Å; K107-D111 PolarHBondContact NZ-OD2 3.28Å; K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.54Å
108	Q	67.3	Low	66.8	Low	74 Å²	74	78.2 Å²	78.2	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-34.1	-177.5	-67	-174.6	-80.9	0	0	113	I75 W102 G104 I105 D111 Y112	I75-Q108 HydrophobicContact CD1-CB 4.04Å; W102-Q108 HydrophobicContact CZ2-CB 4.23Å; G104-Q108 PolarHBondContact O-N 3.42Å; G104-Q108 VanDerWaalsContact O-N 3.11Å; I105-Q108 PolarHBondContact O-N 2.72Å; Q108-D111 PolarHBondContact O-N 3.02Å; Q108-Y112 WeakPolarHBondContact O-CB 3.38Å; Q108-Y112 PolarHBondContact O-N 3.28Å
109	V	72.9	Confident	66.8	Low	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-35.4	169.5	171.8	0	0	0	0	111.5	I75 R89 T92 L96 I105 K107 I113	I75-V109 HydrophobicContact CD1-CG2 4.19Å; I75-V109 HydrophobicContact CG1-CG2 3.96Å; I75-V109 HydrophobicContact CG2-CG2 4.14Å; R89-V109 HydrophobicContact CG-CG1 4.28Å; T92-V109 HydrophobicContact CG2-CG1 3.79Å; T92-V109 HydrophobicContact CG2-CG2 4.36Å; L96-V109 HydrophobicContact CD1-CG2 3.66Å; I105-V109 HydrophobicContact CG2-CG2 3.69Å; I105-V109 VanDerWaalsContact O-CB 3.29Å; I105-V109 WeakPolarHBondContact O-CB 3.48Å; I105-V109 VanDerWaalsContact O-CG2 3.27Å; I105-V109 WeakPolarHBondContact O-CG2 3.34Å; I105-V109 PolarHBondContact O-N 2.69Å; K107-V109 PolarHBondContact O-N 2.92Å; V109-I113 HydrophobicContact CG1-CD1 3.68Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 VanDerWaalsContact O-CB 3.27Å; V109-I113 WeakPolarHBondContact O-CB 3.14Å; V109-I113 WeakPolarHBondContact O-CG1 3.31Å; V109-I113 PolarHBondContact O-N 3.22Å
110	K	73.9	Confident	66.8	Low	100 Å²	100	73.9 Å²	73.9	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-68.8	-40.1	173.4	179.9	-175.4	175.1	-174.5	0	111.5	L106 K107 K114	L106-K110 VanDerWaalsContact O-CB 3.24Å; L106-K110 WeakPolarHBondContact O-CB 3.47Å; L106-K110 PolarHBondContact O-N 2.93Å; K107-K110 CarbonylContact O-C 3.58Å; K107-K110 WeakPolarHBondContact O-CA 3.45Å; K107-K110 WeakPolarHBondContact O-CB 3.46Å; K107-K110 PolarHBondContact O-N 2.94Å; K110-K114 HydrophobicContact CG-CD 4.31Å; K110-K114 VanDerWaalsContact O-CB 3.32Å; K110-K114 WeakPolarHBondContact O-CB 3.43Å; K110-K114 WeakPolarHBondContact O-CD 3.46Å; K110-K114 VanDerWaalsContact O-CG 3.29Å; K110-K114 WeakPolarHBondContact O-CG 3.14Å; K110-K114 PolarHBondContact O-N 3.29Å; K110-K114 VanDerWaalsContact O-N 3.14Å
111	D	76.6	Confident	66.5	Low	52 Å²	52	77.6 Å²	77.6	28%	0.278	36%	0.362	S	S	.	.	H	α-helix	trans	-74.6	-36.9	-177.4	-61.2	-18.2	0	0	0	110.8	K107 Q108 K114 Q115	K107-D111 WeakPolarHBondContact CD-OD2 3.38Å; K107-D111 WeakPolarHBondContact CE-OD2 3.45Å; K107-D111 WeakPolarHBondContact CG-OD2 3.49Å; K107-D111 IonicContact NZ-OD2 2.74Å; K107-D111 PolarHBondContact NZ-OD2 3.28Å; K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.54Å; Q108-D111 PolarHBondContact O-N 3.02Å; D111-K114 WeakPolarHBondContact O-CB 3.35Å; D111-K114 PolarHBondContact O-N 3.04Å; D111-Q115 WeakPolarHBondContact O-CG 3.49Å; D111-Q115 PolarHBondContact O-N 3.22Å
112	Y	72.6	Confident	66.6	Low	37 Å²	37	80.2 Å²	80.2	15%	0.145	38%	0.377	C	S	.	.	H	α-helix	trans	-70.3	-44.3	172.8	178.1	-83.4	0	0	0	112.7	I75 E76 H79 Q108 K114 Q115 C116	I75-Y112 HydrophobicContact CG2-CD1 3.45Å; I75-Y112 VanDerWaalsContact CG2-CD1 3.45Å; I75-Y112 HydrophobicContact CG2-CD2 4.25Å; I75-Y112 HydrophobicContact CG2-CE1 4.02Å; I75-Y112 HydrophobicContact CG2-CG 3.61Å; E76-Y112 HydrophobicContact CB-CE2 4.42Å; E76-Y112 VanDerWaalsContact CB-OH 3.31Å; E76-Y112 WeakPolarHBondContact CB-OH 3.48Å; E76-Y112 WeakPolarHBondContact CG-OH 3.39Å; E76-Y112 PolarHBondContact OE2-OH 3.1Å; H79-Y112 HydrophobicContact CB-CE1 4.41Å; H79-Y112 AromaticContact CD2-CE1 3.91Å; Q108-Y112 WeakPolarHBondContact O-CB 3.38Å; Q108-Y112 PolarHBondContact O-N 3.28Å; Y112-K114 PolarHBondContact O-N 3.38Å; Y112-Q115 CarbonylContact O-C 3.56Å; Y112-Q115 WeakPolarHBondContact O-CA 3.39Å; Y112-Q115 WeakPolarHBondContact O-CB 3.17Å; Y112-Q115 PolarHBondContact O-N 3.41Å; Y112-C116 PolarHBondContact O-N 3.07Å
113	I	71.5	Confident	66	Low	21 Å²	21	83.8 Å²	83.8	11%	0.108	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-22.2	175.7	-68.1	173.3	0	0	0	111.4	R89 V109 Q115 C119	R89-I113 HydrophobicContact CB-CD1 3.99Å; R89-I113 HydrophobicContact CG-CD1 4.39Å; V109-I113 HydrophobicContact CG1-CD1 3.68Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 VanDerWaalsContact O-CB 3.27Å; V109-I113 WeakPolarHBondContact O-CB 3.14Å; V109-I113 WeakPolarHBondContact O-CG1 3.31Å; V109-I113 PolarHBondContact O-N 3.22Å; I113-Q115 VanDerWaalsContact C-N 3.31Å; I113-C119 HydrophobicContact CG2-CB 4.01Å
114	K	71.1	Confident	65.9	Low	131 Å²	131	77 Å²	77	57%	0.57	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.2	167.9	-88.4	169	131.8	-81.3	0	114.6	K110 D111 Y112 Q120	K110-K114 HydrophobicContact CG-CD 4.31Å; K110-K114 VanDerWaalsContact O-CB 3.32Å; K110-K114 WeakPolarHBondContact O-CB 3.43Å; K110-K114 WeakPolarHBondContact O-CD 3.46Å; K110-K114 VanDerWaalsContact O-CG 3.29Å; K110-K114 WeakPolarHBondContact O-CG 3.14Å; K110-K114 PolarHBondContact O-N 3.29Å; K110-K114 VanDerWaalsContact O-N 3.14Å; D111-K114 WeakPolarHBondContact O-CB 3.35Å; D111-K114 PolarHBondContact O-N 3.04Å; Y112-K114 PolarHBondContact O-N 3.38Å; K114-Q120 PolarHBondContact O-OE1 3.07Å
115	Q	69.6	Low	65.7	Low	153 Å²	153	86.8 Å²	86.8	72%	0.715	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-9.4	177	-70.2	166.6	-23.2	0	0	111.6	D111 Y112 I113 S117	D111-Q115 WeakPolarHBondContact O-CG 3.49Å; D111-Q115 PolarHBondContact O-N 3.22Å; Y112-Q115 CarbonylContact O-C 3.56Å; Y112-Q115 WeakPolarHBondContact O-CA 3.39Å; Y112-Q115 WeakPolarHBondContact O-CB 3.17Å; Y112-Q115 PolarHBondContact O-N 3.41Å; I113-Q115 VanDerWaalsContact C-N 3.31Å; Q115-S117 PolarHBondContact O-N 2.94Å
116	C	74.9	Confident	64.7	Low	17 Å²	17	90.2 Å²	90.2	12%	0.115	43%	0.43	C	S	.	.			trans	-85.1	103.3	178.3	-177.4	0	0	0	0	110.6	H86 Y112 K118 C119 Q120	H86-C116 PolarHBondContact CE1-SG 3.35Å; H86-C116 PolarHBondContact ND1-SG 2.89Å; Y112-C116 PolarHBondContact O-N 3.07Å; C116-K118 PolarHBondContact O-N 3.3Å; C116-C119 HydrophobicContact CB-CB 4.2Å; C116-C119 WeakPolarHBondContact O-CA 3.42Å; C116-C119 WeakPolarHBondContact O-CB 3.35Å; C116-C119 PolarHBondContact O-N 3.49Å; C116-Q120 PolarHBondContact O-N 2.95Å
117	S	65.4	Low	63.4	Low	76 Å²	76	95 Å²	95	53%	0.531	44%	0.443	S	S	.	.	H	α-helix	trans	-45.8	-55.1	-176.4	51.6	0	0	0	0	114	Q115 C119 Q120 E121	Q115-S117 PolarHBondContact O-N 2.94Å; S117-C119 PolarHBondContact O-N 2.9Å; S117-C119 VanDerWaalsContact O-N 3.08Å; S117-Q120 WeakPolarHBondContact O-CA 3.33Å; S117-Q120 WeakPolarHBondContact O-CB 3.35Å; S117-Q120 PolarHBondContact O-N 2.88Å; S117-E121 WeakPolarHBondContact O-CG 3.49Å; S117-E121 PolarHBondContact O-N 3.32Å
118	K	64.9	Low	61.8	Low	130 Å²	130	94 Å²	94	57%	0.565	45%	0.45	S	S	*	.	H	α-helix	trans	-60.8	-19.1	179.6	-66.1	177.5	178.1	176.8	0	114.7	H86 C116	H86-K118 WeakPolarHBondContact NE2-CD 3.44Å; C116-K118 PolarHBondContact O-N 3.3Å
119	C	67.3	Low	60.4	Low	21 Å²	21	98 Å²	98	14%	0.142	47%	0.472	C	S	.	.	H	α-helix	trans	-94.1	-30.1	171.7	-87.6	0	0	0	0	113	H79 I113 C116 S117 L123	H79-C119 PolarHBondContact CE1-SG 2.96Å; H79-C119 PolarHBondContact NE2-SG 3.49Å; H79-C119 VanDerWaalsContact NE2-SG 3.4Å; I113-C119 HydrophobicContact CG2-CB 4.01Å; C116-C119 HydrophobicContact CB-CB 4.2Å; C116-C119 WeakPolarHBondContact O-CA 3.42Å; C116-C119 WeakPolarHBondContact O-CB 3.35Å; C116-C119 PolarHBondContact O-N 3.49Å; S117-C119 PolarHBondContact O-N 2.9Å; S117-C119 VanDerWaalsContact O-N 3.08Å; C119-L123 PolarHBondContact O-N 2.9Å
120	Q	61	Low	58.8	Low	91 Å²	91	102.9 Å²	102.9	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-46.2	174.8	-176.4	166.8	-14.6	0	0	111.1	K114 C116 S117 K122 L123 D124	K114-Q120 PolarHBondContact O-OE1 3.07Å; C116-Q120 PolarHBondContact O-N 2.95Å; S117-Q120 WeakPolarHBondContact O-CA 3.33Å; S117-Q120 WeakPolarHBondContact O-CB 3.35Å; S117-Q120 PolarHBondContact O-N 2.88Å; Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 3.06Å; Q120-L123 CarbonylContact O-C 3.58Å; Q120-L123 WeakPolarHBondContact O-CA 3.43Å; Q120-L123 WeakPolarHBondContact O-CB 3.45Å; Q120-L123 PolarHBondContact O-N 3.09Å; Q120-D124 WeakPolarHBondContact CG-OD2 3.5Å; Q120-D124 PolarHBondContact O-N 2.88Å
121	E	56.8	Low	56.7	Low	121 Å²	121	104.8 Å²	104.8	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-51	-43.3	173.2	-71	169.1	174.4	0	0	112.9	S117 L123 R125	S117-E121 WeakPolarHBondContact O-CG 3.49Å; S117-E121 PolarHBondContact O-N 3.32Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 3.09Å; E121-R125 VanDerWaalsContact O-CB 3.28Å; E121-R125 WeakPolarHBondContact O-CB 3.36Å; E121-R125 WeakPolarHBondContact O-CG 3.49Å; E121-R125 PolarHBondContact O-N 3.23Å
122	K	58.9	Low	54.4	Low	159 Å²	159	108.5 Å²	108.5	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-72.5	-19.8	177.9	-72.5	-174.8	176.8	-178.6	0	113.7	Q120	Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 3.06Å
123	L	53.7	Low	52.5	Low	100 Å²	100	111.3 Å²	111.3	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-91.2	-37.5	179.3	-139	156.6	0	0	0	110.6	C119 Q120 E121 S126 R127	C119-L123 PolarHBondContact O-N 2.9Å; Q120-L123 CarbonylContact O-C 3.58Å; Q120-L123 WeakPolarHBondContact O-CA 3.43Å; Q120-L123 WeakPolarHBondContact O-CB 3.45Å; Q120-L123 PolarHBondContact O-N 3.09Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 3.09Å; L123-S126 WeakPolarHBondContact CA-OG 3.43Å; L123-S126 CarbonylContact O-C 3.51Å; L123-S126 WeakPolarHBondContact O-CA 3.28Å; L123-S126 WeakPolarHBondContact O-CB 3.3Å; L123-S126 PolarHBondContact O-N 3.21Å; L123-S126 PolarHBondContact O-OG 3.41Å; L123-R127 PolarHBondContact O-N 3.16Å
124	D	48.1	Very low	51.1	Low	75 Å²	75	118.7 Å²	118.7	40%	0.401	61%	0.605	S	S	.	*	H	α-helix	trans	-73.3	-35.6	174.4	-65.6	-36.7	0	0	0	111.2	Q120 S126 R127	Q120-D124 WeakPolarHBondContact CG-OD2 3.5Å; Q120-D124 PolarHBondContact O-N 2.88Å; D124-S126 PolarHBondContact O-N 3.2Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R127 VanDerWaalsContact O-N 3.14Å; D124-R127 IonicContact OD1-NE 2.61Å
125	R	52.4	Low	49.1	Very low	233 Å²	233	119.9 Å²	119.9	88%	0.879	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-5.5	162	-76.6	-174.9	178.4	-168.8	1.1	114.8	E121	E121-R125 VanDerWaalsContact O-CB 3.28Å; E121-R125 WeakPolarHBondContact O-CB 3.36Å; E121-R125 WeakPolarHBondContact O-CG 3.49Å; E121-R125 PolarHBondContact O-N 3.23Å
126	S	46.2	Very low	47.7	Very low	79 Å²	79	121.1 Å²	121.1	55%	0.552	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	5.3	176.6	77.2	0	0	0	0	113.8	L123 D124	L123-S126 WeakPolarHBondContact CA-OG 3.43Å; L123-S126 CarbonylContact O-C 3.51Å; L123-S126 WeakPolarHBondContact O-CA 3.28Å; L123-S126 WeakPolarHBondContact O-CB 3.3Å; L123-S126 PolarHBondContact O-N 3.21Å; L123-S126 PolarHBondContact O-OG 3.41Å; D124-S126 PolarHBondContact O-N 3.2Å
127	R	37.3	Very low	45.7	Very low	185 Å²	185	128.6 Å²	128.6	70%	0.698	66%	0.658	S	S	*	*	S	Bend	trans	-82.7	131	159	-69.9	-174.4	178.3	-142.1	5	108.7	L123 D124	L123-R127 PolarHBondContact O-N 3.16Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R127 VanDerWaalsContact O-N 3.14Å; D124-R127 IonicContact OD1-NE 2.61Å
128	P	35.8	Very low	44	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-59.1	148.7	157.5	-18.4	32.3	0	0	0	109.9
129	I	38.1	Very low	42.3	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-59	142.1	168.3	-65.5	163.8	0	0	0	108.5
130	S	39.5	Very low	40.5	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	72%	0.715	S	S	*	*			trans	-133.5	76.4	177.7	66.7	0	0	0	0	110.8
131	D	29	Very low	39	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	74%	0.735	S	S	*	*			trans	-136.1	136.7	166.7	-77.5	-35.7	0	0	0	104.6
132	V	28	Very low	37.6	Very low	130 Å²	130	141.5 Å²	141.5	79%	0.788	74%	0.743	S	S	*	*			cis	58.8	95.1	13.7	-164.4	0	0	0	0	111.1
133	S	33.5	Very low	36.1	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	75%	0.746	S	S	*	*				-150.1	-157.3	61.4	-162	0	0	0	0	112.5
134	E	41.7	Very low	34.8	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	76%	0.758	S	S	*	*	S	Bend	trans	62.6	62.2	148.2	-70.9	155.7	-154.9	0	0	117.5
135	M	28.7	Very low	33.8	Very low	156 Å²	156	146.3 Å²	146.3	77%	0.768	78%	0.781	S	S	*	*				-174.9	84.4	125.7	-100.3	-178.5	79	0	0	110.1
136	L	39.6	Very low	32.5	Very low	180 Å²	180	138.7 Å²	138.7	94%	0.942	78%	0.775	S	S	*	*			trans	-109.3	50.5	162.9	-155.4	162.3	0	0	0	107.9
137	E	34.8	Very low	31.7	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	79%	0.789	S	S	*	*			trans	-153.9	49.9	-171.6	-160.4	160.2	-126.1	0	0	112.4
138	E	29	Very low	31.1	Very low	165 Å²	165	143 Å²	143	77%	0.771	79%	0.794	S	S	*	*			trans	-152	93.9	145.9	-124.6	174.4	177.4	0	0	113
139	L	29.5	Very low	30.6	Very low	171 Å²	171	141.6 Å²	141.6	90%	0.895	79%	0.788	S	S	*	*			trans	31.8	109.2	136.3	-53.6	173.8	0	0	0	119.5
140	G	29.8	Very low	30.1	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	79%	0.788	S	S	*	*			trans	146.6	112.1	139.5	0	0	0	0	0	119.8
141	L	29.2	Very low	29.5	Very low	160 Å²	160	145 Å²	145	84%	0.838	79%	0.794	S	S	*	*			trans	54.4	105.1	136.6	-52.9	179.5	0	0	0	121.2
142	D	26.6	Very low	29.5	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	79%	0.791	S	S	*	*				42.6	132.4	109.2	-72.1	-38.8	0	0	0	123.8
143	L	27.7	Very low	29.5	Very low	142 Å²	142	146.6 Å²	146.6	74%	0.743	80%	0.799	S	S	*	*			trans	77.9	124.3	138.3	-66.2	167.2	0	0	0	123.3
144	E	26.2	Very low	29.1	Very low	166 Å²	166	149.5 Å²	149.5	78%	0.776	81%	0.807	S	S	*	*			trans	76	144.6	132.1	-74.9	-173.8	171.3	0	0	125.2
145	S	26.7	Very low	28.4	Very low	127 Å²	127	147.5 Å²	147.5	89%	0.888	80%	0.802	S	S	*	*			trans	72.6	-178.2	152	80.8	0	0	0	0	118.6
146	G	25.9	Very low	28.5	Very low	73 Å²	73	148.2 Å²	148.2	75%	0.753	81%	0.805	S	S	*	*			trans	118.1	82.1	168.9	0	0	0	0	0	115.1
147	E	28.3	Very low	28.1	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	79%	0.79	S	S	*	*			trans	-88.1	-177.1	168.2	-63.2	179.1	110.4	0	0	111.7
148	E	25.2	Very low	27.7	Very low	171 Å²	171	141.5 Å²	141.5	80%	0.799	78%	0.783	S	S	*	*			trans	68.2	96.3	152.2	-73.4	179.8	170.9	0	0	121.8
149	S	26.6	Very low	27.6	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	78%	0.78	S	S	*	*				49.8	134.2	113.1	67.9	0	0	0	0	123.5
150	N	27.6	Very low	27.4	Very low	151 Å²	151	139 Å²	139	81%	0.807	77%	0.773	S	S	*	*			trans	60.7	118.4	138.9	-58.2	-9.4	0	0	0	120.4
151	E	25.9	Very low	27.3	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	77%	0.769	S	S	*	*				-165.8	121.5	118.2	-105.6	165.6	-161.8	0	0	106.9
152	S	28.6	Very low	27.2	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	76%	0.764	S	S	*	*				83.9	115.9	83.1	77.6	0	0	0	0	114
153	E	27.7	Very low	27.8	Very low	203 Å²	203	136.2 Å²	136.2	95%	0.949	76%	0.763	S	S	*	*			trans	-166.7	142.9	152.6	-114.3	167.6	-146	0	0	108.5
154	D	25.7	Very low	27.6	Very low	157 Å²	157	136 Å²	136	84%	0.84	77%	0.768	S	S	*	*			trans	-146	162.9	-177.1	-133.3	-25.3	0	0	0	109.5
155	D	27.8	Very low	27.6	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	77%	0.768	S	S	*	*			trans	55.9	108.2	177.6	-81.8	-36.1	0	0	0	118.8
156	M	30.4	Very low	27.5	Very low	170 Å²	170	132 Å²	132	84%	0.837	76%	0.758	S	S	*	*				-163.7	152	92.8	-100.4	-62.7	166.4	0	0	114.7
157	S	30	Very low	27.7	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	75%	0.75	S	S	*	*			trans	-74.4	172.7	-172.7	75.7	0	0	0	0	115
158	N	28	Very low	28.3	Very low	124 Å²	124	132.7 Å²	132.7	66%	0.663	75%	0.748	S	S	*	*			cis	-167.2	176.4	13.4	-142.7	-29.1	0	0	0	114.9
159	F	26	Very low	29.4	Very low	161 Å²	161	130.2 Å²	130.2	71%	0.706	75%	0.747	S	S	*	*			trans	69.8	100.8	153.9	-77.3	-64.3	0	0	0	123.8
160	T	25.8	Very low	29.4	Very low	122 Å²	122	131.2 Å²	131.2	75%	0.748	75%	0.749	S	S	*	*				52.2	142.7	125.2	53.4	0	0	0	0	123.3
161	S	27.1	Very low	30	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	75%	0.749	S	S	*	*			cis	-168.4	167.4	-9.8	65.1	0	0	0	0	113.3
162	S	26.9	Very low	30.3	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	75%	0.752	S	S	*	*			trans	80.1	159.6	155.1	-47.4	0	0	0	0	117
163	P	40	Very low	30.7	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	76%	0.76	S	S	*	*				-138.9	154.6	-81.7	35.1	-16.7	0	0	0	116
164	T	23.6	Very low	31.5	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	75%	0.75	S	S	*	*			trans	-167.7	150	150.5	4.6	0	0	0	0	116.9
165	T	25.8	Very low	31.6	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	75%	0.75	S	S	*	*			trans	62.5	110.4	151	51.1	0	0	0	0	124.5
166	A	25.6	Very low	32	Very low	82 Å²	82	131.9 Å²	131.9	68%	0.678	75%	0.747	S	S	*	*				78.1	70.5	112.2	0	0	0	0	0	124.7
167	S	28.4	Very low	32	Very low	84 Å²	84	133.7 Å²	133.7	59%	0.587	75%	0.751	S	S	*	*				71.5	139.9	118.6	81.6	0	0	0	0	124.1
168	K	41.3	Very low	32	Very low	186 Å²	186	137.9 Å²	137.9	81%	0.809	76%	0.76	S	S	*	*			trans	91.4	161.1	152.9	-59.3	153.4	-171.8	122.2	0	117.3
169	P	47.9	Very low	32	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	77%	0.771	S	S	*	*			cis	-112.6	-171.6	-7.4	22.4	1.8	0	0	0	111.6
170	V	28.3	Very low	32	Very low	110 Å²	110	139.9 Å²	139.9	67%	0.667	77%	0.771	S	S	*	*				-169.7	135.6	60.4	163.6	0	0	0	0	112.9
171	K	39.5	Very low	32.1	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	78%	0.775	S	S	*	*			trans	17.3	124	149.9	-49.3	162.6	-167.5	163.2	0	119.7
172	K	31.5	Very low	32.1	Very low	212 Å²	212	144.1 Å²	144.1	92%	0.922	78%	0.778	S	S	*	*				-163.8	157.7	112	-97.5	147	-172.1	175.5	0	111.6
173	K	38.1	Very low	32.2	Very low	198 Å²	198	144 Å²	144	86%	0.861	77%	0.773	S	S	*	*			trans	-118	169.5	171.4	-80.3	-169.7	177.7	-174.3	0	106.5
174	P	44.3	Very low	31.8	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	77%	0.774	S	S	*	*			cis	-152.1	-167.4	31.4	33.2	-5.9	0	0	0	118.3
175	V	27.8	Very low	32.4	Very low	139 Å²	139	146 Å²	146	84%	0.842	78%	0.778	S	S	*	*			trans	90.4	153.2	159.9	-165.1	0	0	0	0	117.3
176	S	35.1	Very low	33.2	Very low	94 Å²	94	148.9 Å²	148.9	66%	0.657	78%	0.78	S	S	*	*			trans	-107.3	159.2	-160.5	54	0	0	0	0	114.6
177	K	31.2	Very low	33.8	Very low	208 Å²	208	147.8 Å²	147.8	90%	0.904	78%	0.776	S	S	*	*			trans	-125.3	159.7	151.3	-75.2	-173.6	176.3	179.2	0	110.7
178	H	29.5	Very low	34.1	Very low	177 Å²	177	149.1 Å²	149.1	82%	0.819	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-87.3	156	165.8	-67.9	39.7	0	0	0	108.5
179	E	27.5	Very low	33.5	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-99.7	139	176	-161.5	153.8	-125.5	0	0	110.1
180	L	26.5	Very low	32.7	Very low	133 Å²	133	149.3 Å²	149.3	70%	0.696	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94.8	145.4	178.9	-112.2	67.3	0	0	0	109.7	F182	L180-F182 HydrophobicContact CD2-CZ 4.48Å
181	V	28.7	Very low	32.9	Very low	136 Å²	136	155.7 Å²	155.7	82%	0.824	79%	0.792	S	S	*	*			trans	-115.5	125	164.4	-179.2	0	0	0	0	107.3
182	F	27.1	Very low	32.5	Very low	173 Å²	173	151.6 Å²	151.6	76%	0.759	79%	0.786	S	S	*	*			trans	-81.4	150	177.4	-74	-96.1	0	0	0	110.8	L180	L180-F182 HydrophobicContact CD2-CZ 4.48Å
183	V	29.5	Very low	32.7	Very low	103 Å²	103	144.5 Å²	144.5	62%	0.624	76%	0.764	S	S	*	*			trans	-134.2	115.3	175.4	-179.9	0	0	0	0	107.2
184	D	31.5	Very low	32.8	Very low	143 Å²	143	140 Å²	140	77%	0.765	76%	0.755	S	S	*	*			trans	-72.9	159.7	175.6	-71.7	-36.8	0	0	0	111.7	K186 G187	D184-K186 PolarHBondContact O-N 3.42Å; D184-G187 PolarHBondContact O-N 2.87Å
185	T	36.4	Very low	32.7	Very low	148 Å²	148	142.8 Å²	142.8	91%	0.908	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	12.5	-166.1	52.8	0	0	0	0	116.6
186	K	42.3	Very low	33.3	Very low	189 Å²	189	141.7 Å²	141.7	82%	0.822	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	3.9	174.5	-62.6	-171.4	178.2	-176.5	0	114.4	D184 V188	D184-K186 PolarHBondContact O-N 3.42Å; K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.06Å
187	G	37.9	Very low	33.4	Very low	59 Å²	59	140.1 Å²	140.1	61%	0.608	73%	0.729	S	S	*	*			trans	69.2	5.8	158.2	0	0	0	0	0	119.1	D184	D184-G187 PolarHBondContact O-N 2.87Å
188	V	33.7	Very low	33.8	Very low	112 Å²	112	137.1 Å²	137.1	68%	0.679	72%	0.718	S	S	*	*			trans	-94.2	109.7	-177	-175	0	0	0	0	112.5	K186 K190	K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.06Å; V188-K190 HydrophobicContact CG1-CG 3.83Å
189	V	29.5	Very low	34.5	Very low	130 Å²	130	131.3 Å²	131.3	79%	0.788	70%	0.701	S	S	*	*			trans	-91.1	101.5	166.6	-178.9	0	0	0	0	109.5
190	K	31.7	Very low	35	Very low	180 Å²	180	124.8 Å²	124.8	78%	0.783	67%	0.674	S	S	*	*			trans	-78.1	146.9	175.6	-68.9	-169	176.1	-179.3	0	111.6	V188	V188-K190 HydrophobicContact CG1-CG 3.83Å
191	R	32	Very low	35.6	Very low	244 Å²	244	123.8 Å²	123.8	92%	0.921	67%	0.669	S	S	*	*			trans	72.9	73.5	178.3	-61.1	-178.9	168.9	171.9	-3.1	116.6
192	S	31.7	Very low	36.2	Very low	98 Å²	98	124 Å²	124	69%	0.685	66%	0.659	S	S	*	*			trans	-66.1	143.6	138	52.2	0	0	0	0	109.1
193	S	35.1	Very low	36.8	Very low	64 Å²	64	121.2 Å²	121.2	45%	0.448	65%	0.648	S	S	.	*			trans	-95.3	143.2	174.4	71.5	0	0	0	0	110.6	K195 H196 C197	S193-K195 PolarHBondContact O-N 2.9Å; S193-K195 VanDerWaalsContact O-N 3.12Å; S193-H196 VanDerWaalsContact O-CB 3.29Å; S193-H196 WeakPolarHBondContact O-CB 3.29Å; S193-H196 PolarHBondContact O-N 2.77Å; S193-C197 PolarHBondContact O-N 3.44Å
194	P	40.9	Very low	37.2	Very low	104 Å²	104	120.1 Å²	120.1	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-62	-24.4	-179.4	23	-33.3	0	0	0	112.8	H196 C197 Q198	P194-H196 VanDerWaalsContact C-N 3.26Å; P194-H196 PolarHBondContact O-N 2.97Å; P194-C197 PolarHBondContact O-N 2.81Å; P194-Q198 PolarHBondContact O-N 3.06Å
195	K	42	Very low	37.7	Very low	171 Å²	171	117.5 Å²	117.5	74%	0.743	62%	0.624	S	S	*	*	H	α-helix	trans	-62.8	-30.4	171.7	-64.8	-177.4	179.7	178.6	0	112.5	S193 A199	S193-K195 PolarHBondContact O-N 2.9Å; S193-K195 VanDerWaalsContact O-N 3.12Å; K195-A199 VanDerWaalsContact O-CB 3.28Å; K195-A199 WeakPolarHBondContact O-CB 3.26Å; K195-A199 PolarHBondContact O-N 2.97Å; K195-A199 VanDerWaalsContact O-N 3.08Å
196	H	39.4	Very low	38	Very low	116 Å²	116	116.3 Å²	116.3	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-70.6	-45.5	171.6	-173.1	73.1	0	0	0	111	S193 P194 Q198 A199 V200	S193-H196 VanDerWaalsContact O-CB 3.29Å; S193-H196 WeakPolarHBondContact O-CB 3.29Å; S193-H196 PolarHBondContact O-N 2.77Å; P194-H196 VanDerWaalsContact C-N 3.26Å; P194-H196 PolarHBondContact O-N 2.97Å; H196-Q198 PolarHBondContact O-N 3.48Å; H196-A199 PolarHBondContact O-N 2.96Å; H196-V200 WeakPolarHBondContact O-CB 3.24Å; H196-V200 WeakPolarHBondContact O-CG2 3.37Å; H196-V200 PolarHBondContact O-N 3.11Å
197	C	36.7	Very low	37.9	Very low	62 Å²	62	111.2 Å²	111.2	42%	0.419	59%	0.587	S	S	.	*	H	α-helix	trans	-60.5	-45	177.5	-58.9	0	0	0	0	112	S193 P194 V200 L201	S193-C197 PolarHBondContact O-N 3.44Å; P194-C197 PolarHBondContact O-N 2.81Å; C197-V200 PolarHBondContact O-N 3.37Å; C197-L201 WeakPolarHBondContact O-CB 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.37Å; C197-L201 PolarHBondContact O-N 2.9Å
198	Q	41.5	Very low	38	Very low	144 Å²	144	115.7 Å²	115.7	67%	0.673	59%	0.586	S	S	*	*	H	α-helix	trans	-64.2	-38.2	173.3	-84.7	-174.2	-19.6	0	0	113	P194 H196 K202	P194-Q198 PolarHBondContact O-N 3.06Å; H196-Q198 PolarHBondContact O-N 3.48Å; Q198-K202 VanDerWaalsContact O-CB 3.24Å; Q198-K202 WeakPolarHBondContact O-CB 3.36Å; Q198-K202 PolarHBondContact O-N 3Å
199	A	43	Very low	38.3	Very low	56 Å²	56	117.1 Å²	117.1	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-42.4	175.5	0	0	0	0	0	111.9	K195 H196 K202 Q203	K195-A199 VanDerWaalsContact O-CB 3.28Å; K195-A199 WeakPolarHBondContact O-CB 3.26Å; K195-A199 PolarHBondContact O-N 2.97Å; K195-A199 VanDerWaalsContact O-N 3.08Å; H196-A199 PolarHBondContact O-N 2.96Å; A199-K202 PolarHBondContact O-N 3.34Å; A199-Q203 VanDerWaalsContact O-CB 3.26Å; A199-Q203 WeakPolarHBondContact O-CB 3.36Å; A199-Q203 PolarHBondContact O-N 2.78Å
200	V	38.8	Very low	38.7	Very low	55 Å²	55	113.9 Å²	113.9	33%	0.333	57%	0.572	S	S	.	*	H	α-helix	trans	-66.3	-45.6	176.1	170.5	0	0	0	0	111.1	H196 C197 K202 Q203 L204	H196-V200 WeakPolarHBondContact O-CB 3.24Å; H196-V200 WeakPolarHBondContact O-CG2 3.37Å; H196-V200 PolarHBondContact O-N 3.11Å; C197-V200 PolarHBondContact O-N 3.37Å; V200-K202 PolarHBondContact O-N 2.81Å; V200-Q203 PolarHBondContact O-N 2.82Å; V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.34Å; V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3.34Å
201	L	38.6	Very low	38.9	Very low	113 Å²	113	112.2 Å²	112.2	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-61.1	-42.3	175	-77.7	167.4	0	0	0	112	C197 L204 N205	C197-L201 WeakPolarHBondContact O-CB 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.37Å; C197-L201 PolarHBondContact O-N 2.9Å; L201-L204 PolarHBondContact O-N 3.25Å; L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 PolarHBondContact O-N 2.58Å
202	K	41.5	Very low	39.1	Very low	141 Å²	141	106.7 Å²	106.7	61%	0.613	56%	0.556	S	S	*	*	H	α-helix	trans	-64.8	-41.4	175.4	-171.7	168.6	-175.9	169.4	0	111.8	Q198 A199 V200 N205 E206	Q198-K202 VanDerWaalsContact O-CB 3.24Å; Q198-K202 WeakPolarHBondContact O-CB 3.36Å; Q198-K202 PolarHBondContact O-N 3Å; A199-K202 PolarHBondContact O-N 3.34Å; V200-K202 PolarHBondContact O-N 2.81Å; K202-N205 PolarHBondContact O-N 3.18Å; K202-E206 WeakPolarHBondContact O-CB 3.47Å; K202-E206 WeakPolarHBondContact O-CG 3.45Å; K202-E206 PolarHBondContact O-N 3.42Å
203	Q	39	Very low	39	Very low	113 Å²	113	111.7 Å²	111.7	53%	0.528	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-39.1	175.4	-178	176.3	-28.8	0	0	112.2	A199 V200 Q207	A199-Q203 VanDerWaalsContact O-CB 3.26Å; A199-Q203 WeakPolarHBondContact O-CB 3.36Å; A199-Q203 PolarHBondContact O-N 2.78Å; V200-Q203 PolarHBondContact O-N 2.82Å; Q203-Q207 WeakPolarHBondContact O-CB 3.46Å; Q203-Q207 WeakPolarHBondContact O-CG 3.3Å; Q203-Q207 PolarHBondContact O-N 3.01Å
204	L	37.7	Very low	39	Very low	81 Å²	81	113.5 Å²	113.5	42%	0.424	58%	0.578	S	S	.	*	H	α-helix	trans	-67.2	-38.7	173.8	-74.4	168.9	0	0	0	111.5	V200 L201 Q207 R208	V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.34Å; V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3.34Å; L201-L204 PolarHBondContact O-N 3.25Å; L204-Q207 CarbonylContact O-C 3.58Å; L204-Q207 WeakPolarHBondContact O-CB 3.45Å; L204-Q207 PolarHBondContact O-N 3.43Å; L204-R208 WeakPolarHBondContact O-CB 3.36Å; L204-R208 PolarHBondContact O-N 3.24Å
205	N	42.2	Very low	38.4	Very low	88 Å²	88	114.7 Å²	114.7	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-70.2	-38.9	176.6	-153.4	2.1	0	0	0	111.5	L201 K202 Q207 R208 L209	L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 PolarHBondContact O-N 2.58Å; K202-N205 PolarHBondContact O-N 3.18Å; N205-Q207 VanDerWaalsContact C-N 3.27Å; N205-Q207 PolarHBondContact O-N 2.81Å; N205-R208 PolarHBondContact O-N 3.28Å; N205-L209 WeakPolarHBondContact O-CB 3.43Å; N205-L209 VanDerWaalsContact O-CG 3.28Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.23Å
206	E	43.2	Very low	38.1	Very low	122 Å²	122	111.3 Å²	111.3	57%	0.57	57%	0.572	S	S	*	*	H	α-helix	trans	-62.2	-32.4	168.8	-75.2	179.2	-163.2	0	0	112.5	K202 S210	K202-E206 WeakPolarHBondContact O-CB 3.47Å; K202-E206 WeakPolarHBondContact O-CG 3.45Å; K202-E206 PolarHBondContact O-N 3.42Å; E206-S210 PolarHBondContact O-N 2.89Å
207	Q	39.9	Very low	37.9	Very low	82 Å²	82	109.5 Å²	109.5	38%	0.383	57%	0.569	S	S	.	*	H	α-helix	trans	-74	-40.2	173	-74.5	172	3.9	0	0	112.5	Q203 L204 N205 S210	Q203-Q207 WeakPolarHBondContact O-CB 3.46Å; Q203-Q207 WeakPolarHBondContact O-CG 3.3Å; Q203-Q207 PolarHBondContact O-N 3.01Å; L204-Q207 CarbonylContact O-C 3.58Å; L204-Q207 WeakPolarHBondContact O-CB 3.45Å; L204-Q207 PolarHBondContact O-N 3.43Å; N205-Q207 VanDerWaalsContact C-N 3.27Å; N205-Q207 PolarHBondContact O-N 2.81Å; Q207-S210 WeakPolarHBondContact O-CA 3.37Å; Q207-S210 WeakPolarHBondContact O-CB 3.03Å; Q207-S210 PolarHBondContact O-N 3.26Å; Q207-S210 PolarHBondContact O-OG 2.8Å
208	R	39.4	Very low	37.8	Very low	154 Å²	154	111 Å²	111	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-49.6	172.9	-175.2	178.9	179.4	173.1	0.7	110.9	L204 N205 S210 N211	L204-R208 WeakPolarHBondContact O-CB 3.36Å; L204-R208 PolarHBondContact O-N 3.24Å; N205-R208 PolarHBondContact O-N 3.28Å; R208-S210 PolarHBondContact O-N 2.95Å; R208-N211 PolarHBondContact O-N 3.08Å
209	L	40.8	Very low	37.6	Very low	141 Å²	141	108.6 Å²	108.6	74%	0.738	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-9.1	173.1	-68.5	169.2	0	0	0	113.8	N205	N205-L209 WeakPolarHBondContact O-CB 3.43Å; N205-L209 VanDerWaalsContact O-CG 3.28Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.23Å
210	S	38.3	Very low	37.7	Very low	62 Å²	62	109.1 Å²	109.1	43%	0.434	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	1.9	172.9	83.8	0	0	0	0	114.5	E206 Q207 R208 Q212	E206-S210 PolarHBondContact O-N 2.89Å; Q207-S210 WeakPolarHBondContact O-CA 3.37Å; Q207-S210 WeakPolarHBondContact O-CB 3.03Å; Q207-S210 PolarHBondContact O-N 3.26Å; Q207-S210 PolarHBondContact O-OG 2.8Å; R208-S210 PolarHBondContact O-N 2.95Å; S210-Q212 PolarHBondContact OG-NE2 2.93Å
211	N	34.8	Very low	37.6	Very low	145 Å²	145	112.4 Å²	112.4	78%	0.775	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.6	58.4	-173.1	-80.6	-1.6	0	0	0	113.4	R208	R208-N211 PolarHBondContact O-N 3.08Å
212	Q	35.7	Very low	37.6	Very low	128 Å²	128	108.8 Å²	108.8	60%	0.598	56%	0.56	S	S	*	*			trans	-113.2	116.7	160.2	-71.2	172.1	91.4	0	0	107.4	S210	S210-Q212 PolarHBondContact OG-NE2 2.93Å
213	F	30.5	Very low	37.5	Very low	203 Å²	203	109.8 Å²	109.8	89%	0.89	57%	0.567	S	S	*	*			trans	-67.8	147.4	174	-73	-92.5	0	0	0	109.9
214	C	34.4	Very low	37.7	Very low	102 Å²	102	112.6 Å²	112.6	69%	0.689	58%	0.58	S	S	*	*			trans	-104.7	131.6	175.8	-63.4	0	0	0	0	109.7
215	D	29.4	Very low	38.4	Very low	130 Å²	130	112.7 Å²	112.7	70%	0.695	58%	0.575	S	S	*	*			trans	-73.1	123.5	169.5	-51.6	-48	0	0	0	108.2
216	V	35.4	Very low	38.6	Very low	99 Å²	99	116.6 Å²	116.6	60%	0.6	59%	0.588	S	S	*	*			trans	-89.6	115.7	175.2	178.8	0	0	0	0	108.6
217	T	35	Very low	38.7	Very low	79 Å²	79	113.7 Å²	113.7	49%	0.485	58%	0.584	S	S	.	*			trans	-95.8	118.7	175.6	-61.6	0	0	0	0	109.7	V255	T217-V255 HydrophobicContact CG2-CB 4.43Å; T217-V255 HydrophobicContact CG2-CG1 4.01Å; T217-V255 HydrophobicContact CG2-CG2 4Å
218	L	35.2	Very low	39	Very low	92 Å²	92	114.9 Å²	114.9	48%	0.482	59%	0.59	S	S	.	*			trans	-82.1	130.9	165.2	-72.9	168.1	0	0	0	109.8	L258	L218-L258 HydrophobicContact CD1-CD1 4.23Å
219	L	37.3	Very low	39.6	Very low	95 Å²	95	109.5 Å²	109.5	50%	0.497	57%	0.571	S	S	.	*			trans	-110.9	134.7	168.3	-82.2	158.5	0	0	0	107.9	E253	L219-E253 HydrophobicContact CD2-CB 4.42Å; L219-E253 HydrophobicContact CD2-CG 4.01Å
220	I	43.7	Very low	40	Very low	66 Å²	66	106.3 Å²	106.3	34%	0.338	56%	0.56	S	S	.	*			trans	-132.7	79.5	179.5	-53.2	177.6	0	0	0	106.9	Y225	I220-Y225 HydrophobicContact CG2-CD2 3.85Å; I220-Y225 HydrophobicContact CG2-CE2 4.45Å; I220-Y225 HydrophobicContact CG2-CG 3.92Å
221	E	36.6	Very low	40.4	Very low	124 Å²	124	106.5 Å²	106.5	58%	0.579	56%	0.558	S	S	*	*			trans	-92.1	132.8	-176.6	-66.3	173.3	-155.4	0	0	110.7	Y225	E221-Y225 VanDerWaalsContact O-CE2 3.27Å; E221-Y225 WeakPolarHBondContact O-CE2 3.43Å
222	G	39.2	Very low	41	Very low	37 Å²	37	101.3 Å²	101.3	38%	0.381	53%	0.531	S	S	.	.	S	Bend	trans	141.7	166.6	177.7	0	0	0	0	0	113.7	H252	G222-H252 PolarHBondContact O-ND1 3.29Å
223	E	39.8	Very low	41.9	Very low	162 Å²	162	96.2 Å²	96.2	76%	0.757	51%	0.509	S	S	*	.	S	Bend	trans	-94.4	-27.7	177.9	-73.1	-166.6	145.6	0	0	113.7	Y225	E223-Y225 PolarHBondContact O-N 2.79Å
224	E	44	Very low	42.6	Very low	172 Å²	172	89.2 Å²	89.2	80%	0.804	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	-177.6	-59	-176.4	155	0	0	112.7	K226	E224-K226 PolarHBondContact O-N 3.08Å
225	Y	51.4	Low	43	Very low	84 Å²	84	90.2 Å²	90.2	33%	0.329	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	17.1	-173.7	-60.6	-55.5	0	0	0	116.2	I220 E221 E223 A227 H228 K229	I220-Y225 HydrophobicContact CG2-CD2 3.85Å; I220-Y225 HydrophobicContact CG2-CE2 4.45Å; I220-Y225 HydrophobicContact CG2-CG 3.92Å; E221-Y225 VanDerWaalsContact O-CE2 3.27Å; E221-Y225 WeakPolarHBondContact O-CE2 3.43Å; E223-Y225 PolarHBondContact O-N 2.79Å; Y225-A227 VanDerWaalsContact C-N 3.29Å; Y225-A227 PolarHBondContact O-N 3.16Å; Y225-H228 HydrophobicContact CD1-CB 4.2Å; Y225-H228 AromaticContact CD1-CE1 3.83Å; Y225-H228 AromaticContact CD1-CG 3.76Å; Y225-H228 AromaticContact CD1-ND1 3.37Å; Y225-H228 WeakPolarHBondContact CD1-ND1 3.44Å; Y225-H228 AromaticContact CE1-CE1 3.77Å; Y225-H228 AromaticContact CE1-ND1 3.67Å; Y225-H228 PolarHBondContact O-N 2.9Å; Y225-K229 WeakPolarHBondContact O-CB 3.45Å; Y225-K229 WeakPolarHBondContact O-CG 2.99Å; Y225-K229 PolarHBondContact O-N 2.8Å
226	K	46.6	Very low	43.9	Very low	170 Å²	170	86.2 Å²	86.2	74%	0.739	47%	0.469	S	S	*	.	H	α-helix	trans	-56.5	-44.4	165.8	-83.4	-179.9	178.7	168.6	0	111.4	E224 H228 K229 S230	E224-K226 PolarHBondContact O-N 3.08Å; K226-H228 PolarHBondContact O-N 2.82Å; K226-K229 PolarHBondContact O-N 3.49Å; K226-S230 WeakPolarHBondContact O-CB 3.26Å; K226-S230 PolarHBondContact O-N 3.15Å; K226-S230 PolarHBondContact O-OG 2.87Å
227	A	45.6	Very low	44.4	Very low	60 Å²	60	88 Å²	88	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-46.8	177.3	0	0	0	0	0	111.8	Y225 S230 V231	Y225-A227 VanDerWaalsContact C-N 3.29Å; Y225-A227 PolarHBondContact O-N 3.16Å; A227-S230 WeakPolarHBondContact O-CB 3.49Å; A227-S230 PolarHBondContact O-N 3.42Å; A227-V231 WeakPolarHBondContact O-CG2 3.34Å; A227-V231 PolarHBondContact O-N 2.89Å
228	H	46	Very low	45.2	Very low	107 Å²	107	89.5 Å²	89.5	50%	0.495	47%	0.469	S	S	.	.	H	α-helix	trans	-66.9	-41.1	-178.7	-67.5	-163.5	0	0	0	112	Y225 K226 S230 V231 L232	Y225-H228 HydrophobicContact CD1-CB 4.2Å; Y225-H228 AromaticContact CD1-CE1 3.83Å; Y225-H228 AromaticContact CD1-CG 3.76Å; Y225-H228 AromaticContact CD1-ND1 3.37Å; Y225-H228 WeakPolarHBondContact CD1-ND1 3.44Å; Y225-H228 AromaticContact CE1-CE1 3.77Å; Y225-H228 AromaticContact CE1-ND1 3.67Å; Y225-H228 PolarHBondContact O-N 2.9Å; K226-H228 PolarHBondContact O-N 2.82Å; H228-S230 VanDerWaalsContact C-N 3.34Å; H228-S230 PolarHBondContact O-N 2.69Å; H228-V231 PolarHBondContact O-N 2.83Å; H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 VanDerWaalsContact O-CG 3.31Å; H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 2.91Å
229	K	52.5	Low	45.9	Very low	42 Å²	42	86.3 Å²	86.3	18%	0.183	45%	0.451	C	S	.	.	H	α-helix	trans	-61.1	-41.5	172.9	-73.1	-177.8	178.2	-174.8	0	111.4	Y225 K226 S233 S251	Y225-K229 WeakPolarHBondContact O-CB 3.45Å; Y225-K229 WeakPolarHBondContact O-CG 2.99Å; Y225-K229 PolarHBondContact O-N 2.8Å; K226-K229 PolarHBondContact O-N 3.49Å; K229-S233 WeakPolarHBondContact O-CB 3.5Å; K229-S233 PolarHBondContact O-N 3.02Å; K229-S233 PolarHBondContact O-OG 3.3Å; K229-S251 PolarHBondContact NZ-O 2.82Å
230	S	48.6	Very low	46.7	Very low	74 Å²	74	86.2 Å²	86.2	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-50.9	175.2	-69.2	0	0	0	0	112.5	K226 A227 H228 L232 S233 A234	K226-S230 WeakPolarHBondContact O-CB 3.26Å; K226-S230 PolarHBondContact O-N 3.15Å; K226-S230 PolarHBondContact O-OG 2.87Å; A227-S230 WeakPolarHBondContact O-CB 3.49Å; A227-S230 PolarHBondContact O-N 3.42Å; H228-S230 VanDerWaalsContact C-N 3.34Å; H228-S230 PolarHBondContact O-N 2.69Å; S230-L232 PolarHBondContact O-N 3.12Å; S230-S233 CarbonylContact O-C 3.52Å; S230-S233 PolarHBondContact O-N 2.92Å; S230-S233 VanDerWaalsContact O-N 3.11Å; S230-S233 PolarHBondContact O-OG 3.12Å; S230-A234 PolarHBondContact O-N 3.44Å
231	V	46.2	Very low	47.2	Very low	65 Å²	65	86.9 Å²	86.9	39%	0.394	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-44.6	179.8	172.1	0	0	0	0	111.7	A227 H228 S233 A234 N235 F272	A227-V231 WeakPolarHBondContact O-CG2 3.34Å; A227-V231 PolarHBondContact O-N 2.89Å; H228-V231 PolarHBondContact O-N 2.83Å; V231-S233 VanDerWaalsContact C-N 3.29Å; V231-S233 PolarHBondContact O-N 3.22Å; V231-A234 WeakPolarHBondContact O-CB 3.47Å; V231-A234 PolarHBondContact O-N 3.38Å; V231-N235 PolarHBondContact O-N 2.87Å; V231-F272 HydrophobicContact CG1-CE2 4.35Å
232	L	47.7	Very low	48.1	Very low	37 Å²	37	82.3 Å²	82.3	19%	0.194	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-35.4	175.4	-70.1	170.2	0	0	0	112.4	H228 S230 S236 F239 F243 F272	H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 VanDerWaalsContact O-CG 3.31Å; H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 2.91Å; S230-L232 PolarHBondContact O-N 3.12Å; L232-S236 PolarHBondContact O-N 3.08Å; L232-F239 HydrophobicContact CB-CB 4.48Å; L232-F239 WeakPolarHBondContact O-CB 3.46Å; L232-F243 HydrophobicContact CB-CE2 4.36Å; L232-F272 HydrophobicContact CD2-CE1 4.43Å
233	S	55.2	Low	48.9	Very low	20 Å²	20	81.2 Å²	81.2	14%	0.14	41%	0.413	C	S	.	.	H	α-helix	trans	-75.6	-24.4	175.6	77.1	0	0	0	0	114.1	K229 S230 V231 R240	K229-S233 WeakPolarHBondContact O-CB 3.5Å; K229-S233 PolarHBondContact O-N 3.02Å; K229-S233 PolarHBondContact O-OG 3.3Å; S230-S233 CarbonylContact O-C 3.52Å; S230-S233 PolarHBondContact O-N 2.92Å; S230-S233 VanDerWaalsContact O-N 3.11Å; S230-S233 PolarHBondContact O-OG 3.12Å; V231-S233 VanDerWaalsContact C-N 3.29Å; V231-S233 PolarHBondContact O-N 3.22Å; S233-R240 PolarHBondContact O-NE 2.89Å
234	A	45.4	Very low	49.5	Very low	57 Å²	57	78.7 Å²	78.7	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-70.5	-54.2	170.9	0	0	0	0	0	109.6	S230 V231 S236 R240	S230-A234 PolarHBondContact O-N 3.44Å; V231-A234 WeakPolarHBondContact O-CB 3.47Å; V231-A234 PolarHBondContact O-N 3.38Å; A234-S236 VanDerWaalsContact C-N 3.29Å; A234-S236 PolarHBondContact O-N 3.19Å; A234-R240 PolarHBondContact O-NH2 2.74Å
235	N	41.1	Very low	49.7	Very low	123 Å²	123	78.2 Å²	78.2	66%	0.658	40%	0.401	S	S	*	.	H	α-helix	trans	-73.8	-10.9	-171.8	-64.7	-2.2	0	0	0	114.6	V231	V231-N235 PolarHBondContact O-N 2.87Å
236	S	48.8	Very low	49.5	Very low	45 Å²	45	80.5 Å²	80.5	32%	0.315	41%	0.413	S	S	.	.			trans	-152	128.3	173.5	-168.9	0	0	0	0	113.6	L232 A234 Y238 F239 R240	L232-S236 PolarHBondContact O-N 3.08Å; A234-S236 VanDerWaalsContact C-N 3.29Å; A234-S236 PolarHBondContact O-N 3.19Å; S236-Y238 PolarHBondContact O-N 3.48Å; S236-Y238 PolarHBondContact OG-N 3.18Å; S236-F239 PolarHBondContact O-N 3.47Å; S236-F239 VanDerWaalsContact O-N 3.15Å; S236-R240 PolarHBondContact O-N 2.89Å
237	E	47.3	Very low	49.2	Very low	136 Å²	136	74.7 Å²	74.7	64%	0.636	40%	0.4	S	S	*	.	H	α-helix	trans	-60.4	-31.7	174.4	-51.1	-160.9	126.2	0	0	112.3	F239 R240 D241	E237-F239 VanDerWaalsContact C-N 3.35Å; E237-F239 PolarHBondContact O-N 2.91Å; E237-R240 VanDerWaalsContact O-CB 3.29Å; E237-R240 WeakPolarHBondContact O-CB 3.41Å; E237-R240 PolarHBondContact O-N 3.47Å; E237-R240 IonicContact OE1-NH1 2.9Å; E237-R240 PolarHBondContact OE1-NH1 2.84Å; E237-D241 PolarHBondContact O-N 2.85Å
238	Y	51.9	Low	49.2	Very low	111 Å²	111	72.8 Å²	72.8	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.8	176.8	-91.7	0	0	0	112.3	S236 L242	S236-Y238 PolarHBondContact O-N 3.48Å; S236-Y238 PolarHBondContact OG-N 3.18Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.33Å
239	F	49.7	Very low	49	Very low	26 Å²	26	73 Å²	73	11%	0.114	39%	0.393	C	S	.	.	H	α-helix	trans	-75.5	-32.5	176.3	-72.5	-57.8	0	0	0	111.8	L232 S236 E237 L242 F243 V256	L232-F239 HydrophobicContact CB-CB 4.48Å; L232-F239 WeakPolarHBondContact O-CB 3.46Å; S236-F239 PolarHBondContact O-N 3.47Å; S236-F239 VanDerWaalsContact O-N 3.15Å; E237-F239 VanDerWaalsContact C-N 3.35Å; E237-F239 PolarHBondContact O-N 2.91Å; F239-L242 HydrophobicContact CD1-CD2 4.11Å; F239-L242 HydrophobicContact CE1-CD2 4.38Å; F239-L242 PolarHBondContact O-N 3.38Å; F239-F243 HydrophobicContact CB-CD2 4.24Å; F239-F243 HydrophobicContact CB-CE2 3.94Å; F239-F243 HydrophobicContact CD1-CE2 4.11Å; F239-F243 HydrophobicContact CD1-CZ 4.26Å; F239-F243 HydrophobicContact CG-CE2 4.35Å; F239-F243 WeakPolarHBondContact O-CD2 3.21Å; F239-F243 WeakPolarHBondContact O-CG 3.13Å; F239-F243 PolarHBondContact O-N 3.25Å; F239-V256 HydrophobicContact CE1-CG1 3.92Å; F239-V256 HydrophobicContact CE1-CG2 4.05Å; F239-V256 HydrophobicContact CZ-CG1 4.34Å
240	R	53.1	Low	48.5	Very low	92 Å²	92	76.1 Å²	76.1	35%	0.347	42%	0.421	S	S	.	.	H	α-helix	trans	-55.1	-51.5	169.3	-149.8	-180	-64.2	156.8	-0.2	111.2	S233 A234 S236 E237 L242 I244	S233-R240 PolarHBondContact O-NE 2.89Å; A234-R240 PolarHBondContact O-NH2 2.74Å; S236-R240 PolarHBondContact O-N 2.89Å; E237-R240 VanDerWaalsContact O-CB 3.29Å; E237-R240 WeakPolarHBondContact O-CB 3.41Å; E237-R240 PolarHBondContact O-N 3.47Å; E237-R240 IonicContact OE1-NH1 2.9Å; E237-R240 PolarHBondContact OE1-NH1 2.84Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 2.85Å; R240-I244 HydrophobicContact CG-CD1 3.96Å; R240-I244 VanDerWaalsContact O-CB 3.25Å; R240-I244 WeakPolarHBondContact O-CB 3.47Å; R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 2.86Å
241	D	54.1	Low	48.4	Very low	80 Å²	80	74.9 Å²	74.9	43%	0.428	41%	0.412	S	S	.	.	I	π-helix	trans	-69.3	-25.8	175.6	-73	-2.3	0	0	0	113.6	E237 K246	E237-D241 PolarHBondContact O-N 2.85Å; D241-K246 PolarHBondContact O-NZ 3.36Å
242	L	54.9	Low	48.1	Very low	29 Å²	29	76.4 Å²	76.4	15%	0.152	42%	0.415	C	S	.	.	I	π-helix	trans	-74.8	-41.9	177.9	-163.1	75	0	0	0	111.6	Y238 F239 R240 K246 V256	Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.33Å; F239-L242 HydrophobicContact CD1-CD2 4.11Å; F239-L242 HydrophobicContact CE1-CD2 4.38Å; F239-L242 PolarHBondContact O-N 3.38Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 2.85Å; L242-K246 HydrophobicContact CD1-CD 4.22Å; L242-V256 HydrophobicContact CD2-CG2 3.92Å
243	F	56.9	Low	47.8	Very low	14 Å²	14	80.6 Å²	80.6	6%	0.061	43%	0.433	C	S	.	.	I	π-helix	trans	-87.8	-41.2	-177.9	-59.2	-48.4	0	0	0	112.9	L232 F239 A248 A254	L232-F243 HydrophobicContact CB-CE2 4.36Å; F239-F243 HydrophobicContact CB-CD2 4.24Å; F239-F243 HydrophobicContact CB-CE2 3.94Å; F239-F243 HydrophobicContact CD1-CE2 4.11Å; F239-F243 HydrophobicContact CD1-CZ 4.26Å; F239-F243 HydrophobicContact CG-CE2 4.35Å; F239-F243 WeakPolarHBondContact O-CD2 3.21Å; F239-F243 WeakPolarHBondContact O-CG 3.13Å; F239-F243 PolarHBondContact O-N 3.25Å; F243-A248 HydrophobicContact CD1-CB 4.49Å; F243-A248 PolarHBondContact O-N 3.05Å; F243-A248 VanDerWaalsContact O-N 3.1Å; F243-A254 HydrophobicContact CE1-CB 3.96Å
244	I	53.4	Low	47.3	Very low	109 Å²	109	80.8 Å²	80.8	56%	0.559	44%	0.436	S	S	*	.	I	π-helix	trans	-88.9	-64.5	-172.9	-52.3	-178.8	0	0	0	111.6	R240 K246 G247	R240-I244 HydrophobicContact CG-CD1 3.96Å; R240-I244 VanDerWaalsContact O-CB 3.25Å; R240-I244 WeakPolarHBondContact O-CB 3.47Å; R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 2.86Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 3.46Å; I244-G247 PolarHBondContact O-N 2.89Å; I244-G247 VanDerWaalsContact O-N 3.12Å
245	E	47.9	Very low	47.2	Very low	161 Å²	161	82.6 Å²	82.6	75%	0.752	44%	0.441	S	S	*	.	I	π-helix	trans	-59.5	-33.9	-176.4	-88	-140.4	137.5	0	0	113.8
246	K	46	Very low	47.2	Very low	133 Å²	133	77.4 Å²	77.4	58%	0.578	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.2	-178.3	-60.2	-179.4	-164	77.7	0	113.8	D241 L242 I244	D241-K246 PolarHBondContact O-NZ 3.36Å; L242-K246 HydrophobicContact CD1-CD 4.22Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 3.46Å
247	G	41.6	Very low	46.8	Very low	47 Å²	47	79.9 Å²	79.9	49%	0.485	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	27	175.6	0	0	0	0	0	115.4	I244 V249	I244-G247 PolarHBondContact O-N 2.89Å; I244-G247 VanDerWaalsContact O-N 3.12Å; G247-V249 PolarHBondContact O-N 3.01Å
248	A	45.5	Very low	46.6	Very low	20 Å²	20	76 Å²	76	17%	0.165	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	23	-179.9	0	0	0	0	0	113.7	F243	F243-A248 HydrophobicContact CD1-CB 4.49Å; F243-A248 PolarHBondContact O-N 3.05Å; F243-A248 VanDerWaalsContact O-N 3.1Å
249	V	41.2	Very low	46	Very low	112 Å²	112	75 Å²	75	68%	0.679	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-32.4	177.5	-176.3	0	0	0	0	111.3	G247	G247-V249 PolarHBondContact O-N 3.01Å
250	S	42.7	Very low	45.3	Very low	108 Å²	108	77 Å²	77	76%	0.755	44%	0.443	S	S	*	.	S	Bend	trans	-100.1	4.4	-175.9	55.7	0	0	0	0	115.3
251	S	45.4	Very low	44.6	Very low	48 Å²	48	76.5 Å²	76.5	34%	0.336	44%	0.444	S	S	.	.			trans	-103.3	131.2	173.4	62.8	0	0	0	0	111.7	K229 E253	K229-S251 PolarHBondContact NZ-O 2.82Å; S251-E253 PolarHBondContact O-N 2.85Å; S251-E253 PolarHBondContact OG-O 2.8Å
252	H	39.9	Very low	44.1	Very low	97 Å²	97	76.8 Å²	76.8	45%	0.449	45%	0.451	S	S	.	.	S	Bend	trans	-79.1	-0.4	174.2	-58	-86.2	0	0	0	112.9	G222	G222-H252 PolarHBondContact O-ND1 3.29Å
253	E	42.6	Very low	43.2	Very low	124 Å²	124	81.8 Å²	81.8	58%	0.579	47%	0.472	S	S	*	.			trans	-120.7	138.6	171.5	-65.7	173.1	-140.7	0	0	109.5	L219 S251	L219-E253 HydrophobicContact CD2-CB 4.42Å; L219-E253 HydrophobicContact CD2-CG 4.01Å; S251-E253 PolarHBondContact O-N 2.85Å; S251-E253 PolarHBondContact OG-O 2.8Å
254	A	42.9	Very low	42.4	Very low	25 Å²	25	85 Å²	85	21%	0.207	50%	0.501	C	S	.	.			trans	-145.9	89.2	174.1	0	0	0	0	0	110.1	F243 V256	F243-A254 HydrophobicContact CE1-CB 3.96Å; A254-V256 PolarHBondContact O-N 3.31Å; A254-V256 VanDerWaalsContact O-N 3.12Å
255	V	43.3	Very low	42	Very low	95 Å²	95	82.5 Å²	82.5	58%	0.576	49%	0.493	S	S	*	.			trans	-69.4	106.9	179	174.9	0	0	0	0	110.2	T217	T217-V255 HydrophobicContact CG2-CB 4.43Å; T217-V255 HydrophobicContact CG2-CG1 4.01Å; T217-V255 HydrophobicContact CG2-CG2 4Å
256	V	42.4	Very low	41.8	Very low	14 Å²	14	80.6 Å²	80.6	9%	0.085	48%	0.482	C	S	.	.			trans	-93.1	128	174.7	-173.3	0	0	0	0	109.8	F239 L242 A254 L258	F239-V256 HydrophobicContact CE1-CG1 3.92Å; F239-V256 HydrophobicContact CE1-CG2 4.05Å; F239-V256 HydrophobicContact CZ-CG1 4.34Å; L242-V256 HydrophobicContact CD2-CG2 3.92Å; A254-V256 PolarHBondContact O-N 3.31Å; A254-V256 VanDerWaalsContact O-N 3.12Å; V256-L258 HydrophobicContact CG1-CD2 3.9Å
257	D	40.8	Very low	41.6	Very low	97 Å²	97	79 Å²	79	52%	0.519	48%	0.48	S	S	.	.			trans	-92	103.4	176.4	-179	-7.9	0	0	0	110	S259	D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 WeakPolarHBondContact OD1-CB 3.3Å; D257-S259 PolarHBondContact OD1-N 3.37Å; D257-S259 PolarHBondContact OD1-OG 3.19Å
258	L	42.6	Very low	41.6	Very low	54 Å²	54	80.2 Å²	80.2	28%	0.283	48%	0.479	S	S	.	.			trans	-84.4	1.8	-178.3	-61.4	177.7	0	0	0	113.9	L218 V256 G260 F261	L218-L258 HydrophobicContact CD1-CD1 4.23Å; V256-L258 HydrophobicContact CG1-CD2 3.9Å; L258-G260 PolarHBondContact O-N 3.17Å; L258-F261 HydrophobicContact CB-CD2 4.35Å; L258-F261 HydrophobicContact CD2-CD2 3.94Å; L258-F261 HydrophobicContact CD2-CE2 3.56Å; L258-F261 HydrophobicContact CD2-CZ 4.11Å; L258-F261 PolarHBondContact O-N 3.26Å
259	S	38.4	Very low	41.5	Very low	91 Å²	91	82.4 Å²	82.4	64%	0.636	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.1	-173.6	67.6	0	0	0	0	115.6	D257	D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 WeakPolarHBondContact OD1-CB 3.3Å; D257-S259 PolarHBondContact OD1-N 3.37Å; D257-S259 PolarHBondContact OD1-OG 3.19Å
260	G	36.2	Very low	41.6	Very low	66 Å²	66	80.6 Å²	80.6	68%	0.68	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	1.8	178.3	0	0	0	0	0	116.5	L258	L258-G260 PolarHBondContact O-N 3.17Å
261	F	38.6	Very low	41.4	Very low	82 Å²	82	81.6 Å²	81.6	36%	0.36	47%	0.467	S	S	.	.			trans	-75.1	135.7	-175.4	-85	-109.4	0	0	0	113.1	L258 L269	L258-F261 HydrophobicContact CB-CD2 4.35Å; L258-F261 HydrophobicContact CD2-CD2 3.94Å; L258-F261 HydrophobicContact CD2-CE2 3.56Å; L258-F261 HydrophobicContact CD2-CZ 4.11Å; L258-F261 PolarHBondContact O-N 3.26Å; F261-L269 HydrophobicContact CD1-CD1 4.03Å; F261-L269 HydrophobicContact CE1-CD1 3.59Å; F261-L269 HydrophobicContact CZ-CD1 4.28Å
262	C	42.3	Very low	41.2	Very low	86 Å²	86	83.7 Å²	83.7	58%	0.581	47%	0.47	S	S	*	.			trans	-91.2	158.8	175	-69.7	0	0	0	0	111.3	A264 S265 F266	C262-A264 VanDerWaalsContact C-N 3.26Å; C262-A264 PolarHBondContact O-N 2.97Å; C262-A264 VanDerWaalsContact O-N 3.15Å; C262-S265 WeakPolarHBondContact O-CA 3.27Å; C262-S265 WeakPolarHBondContact O-CB 3.38Å; C262-S265 PolarHBondContact O-N 3.28Å; C262-F266 PolarHBondContact O-N 2.92Å
263	K	37	Very low	41.5	Very low	135 Å²	135	81.1 Å²	81.1	59%	0.587	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-50.9	-41.9	-177.9	-165	-170.3	178.9	-163.6	0	113.2	S265 F266 E299	K263-S265 VanDerWaalsContact C-N 3.32Å; K263-S265 PolarHBondContact O-N 2.76Å; K263-F266 PolarHBondContact O-N 3.16Å; K263-E299 WeakPolarHBondContact CE-OE2 3.44Å; K263-E299 IonicContact NZ-OE1 2.69Å; K263-E299 PolarHBondContact NZ-OE1 3.02Å; K263-E299 IonicContact NZ-OE2 3.3Å; K263-E299 PolarHBondContact NZ-OE2 3.22Å
264	A	40.5	Very low	41.3	Very low	80 Å²	80	79.3 Å²	79.3	66%	0.661	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25.3	177.7	0	0	0	0	0	114.2	C262 F266	C262-A264 VanDerWaalsContact C-N 3.26Å; C262-A264 PolarHBondContact O-N 2.97Å; C262-A264 VanDerWaalsContact O-N 3.15Å; A264-F266 VanDerWaalsContact C-N 3.31Å
265	S	43.3	Very low	41.1	Very low	58 Å²	58	83 Å²	83	41%	0.406	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-84.6	-5	179.6	-48	0	0	0	0	113.2	C262 K263	C262-S265 WeakPolarHBondContact O-CA 3.27Å; C262-S265 WeakPolarHBondContact O-CB 3.38Å; C262-S265 PolarHBondContact O-N 3.28Å; K263-S265 VanDerWaalsContact C-N 3.32Å; K263-S265 PolarHBondContact O-N 2.76Å
266	F	44	Very low	40.9	Very low	120 Å²	120	80.4 Å²	80.4	53%	0.526	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-28.8	-177.8	-161.7	-98.7	0	0	0	112.5	C262 K263 A264 L269 L270	C262-F266 PolarHBondContact O-N 2.92Å; K263-F266 PolarHBondContact O-N 3.16Å; A264-F266 VanDerWaalsContact C-N 3.31Å; F266-L269 PolarHBondContact O-N 2.99Å; F266-L270 HydrophobicContact CE1-CD1 4.38Å; F266-L270 PolarHBondContact O-N 3.33Å
267	L	42.8	Very low	41	Very low	99 Å²	99	86.9 Å²	86.9	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-47.9	-179.8	-67.6	167	0	0	0	112.9	L269 L270 E271	L267-L269 PolarHBondContact O-N 3.41Å; L267-L270 WeakPolarHBondContact O-CB 3.27Å; L267-L270 PolarHBondContact O-N 2.9Å; L267-E271 WeakPolarHBondContact O-CB 3.04Å; L267-E271 PolarHBondContact O-N 2.97Å
268	P	41.8	Very low	40.7	Very low	74 Å²	74	88.2 Å²	88.2	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-25	178.8	-21.2	34.6	0	0	0	113.6	F272	P268-F272 WeakPolarHBondContact O-CB 3.29Å; P268-F272 PolarHBondContact O-N 2.78Å
269	L	43.4	Very low	40.4	Very low	65 Å²	65	91.8 Å²	91.8	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-73.7	-34.1	173.5	-91.7	164	0	0	0	112	F261 F266 L267 A273	F261-L269 HydrophobicContact CD1-CD1 4.03Å; F261-L269 HydrophobicContact CE1-CD1 3.59Å; F261-L269 HydrophobicContact CZ-CD1 4.28Å; F266-L269 PolarHBondContact O-N 2.99Å; L267-L269 PolarHBondContact O-N 3.41Å; L269-A273 WeakPolarHBondContact O-CB 3.38Å; L269-A273 PolarHBondContact O-N 3.26Å
270	L	42.6	Very low	40.1	Very low	74 Å²	74	92.8 Å²	92.8	39%	0.387	53%	0.529	S	S	.	.	H	α-helix	trans	-74.9	-41.2	175.8	-160.1	70.8	0	0	0	111	F266 L267 A273 Y274	F266-L270 HydrophobicContact CE1-CD1 4.38Å; F266-L270 PolarHBondContact O-N 3.33Å; L267-L270 WeakPolarHBondContact O-CB 3.27Å; L267-L270 PolarHBondContact O-N 2.9Å; L270-A273 PolarHBondContact O-N 3.24Å; L270-Y274 HydrophobicContact CG-CD2 4.47Å; L270-Y274 PolarHBondContact O-N 3.38Å
271	E	38.3	Very low	40	Very low	129 Å²	129	95.2 Å²	95.2	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.6	-175.2	174.8	-156	0	0	112	L267 A273 Y274 T275	L267-E271 WeakPolarHBondContact O-CB 3.04Å; L267-E271 PolarHBondContact O-N 2.97Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.27Å; E271-Y274 PolarHBondContact O-N 3.47Å; E271-T275 WeakPolarHBondContact O-CB 3.33Å; E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.15Å; E271-T275 PolarHBondContact O-OG1 3.06Å
272	F	42.5	Very low	39.5	Very low	92 Å²	92	97.4 Å²	97.4	40%	0.404	54%	0.536	S	S	.	.	H	α-helix	trans	-61.4	-39.2	171.4	-178.6	-102.7	0	0	0	112.4	V231 L232 P268 Y274 T275 S276	V231-F272 HydrophobicContact CG1-CE2 4.35Å; L232-F272 HydrophobicContact CD2-CE1 4.43Å; P268-F272 WeakPolarHBondContact O-CB 3.29Å; P268-F272 PolarHBondContact O-N 2.78Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 2.86Å; F272-T275 WeakPolarHBondContact CA-OG1 3.38Å; F272-T275 PolarHBondContact O-OG1 3.21Å; F272-S276 WeakPolarHBondContact O-CB 3.16Å; F272-S276 PolarHBondContact O-N 3.36Å; F272-S276 VanDerWaalsContact O-N 3.13Å; F272-S276 PolarHBondContact O-OG 2.8Å
273	A	44.4	Very low	39.2	Very low	43 Å²	43	97.6 Å²	97.6	36%	0.355	54%	0.537	S	S	.	.	H	α-helix	trans	-71.9	-21.5	176.4	0	0	0	0	0	113.8	L269 L270 E271 S276	L269-A273 WeakPolarHBondContact O-CB 3.38Å; L269-A273 PolarHBondContact O-N 3.26Å; L270-A273 PolarHBondContact O-N 3.24Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.27Å; A273-S276 PolarHBondContact O-OG 3.43Å
274	Y	40.1	Very low	39.7	Very low	86 Å²	86	94.7 Å²	94.7	34%	0.337	53%	0.534	S	S	.	.	H	α-helix	trans	-90.3	-31.5	175.9	-102.8	-77.3	0	0	0	113.7	L270 E271 F272 M285 V307	L270-Y274 HydrophobicContact CG-CD2 4.47Å; L270-Y274 PolarHBondContact O-N 3.38Å; E271-Y274 PolarHBondContact O-N 3.47Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 2.86Å; Y274-M285 WeakPolarHBondContact OH-CE 3.23Å; Y274-M285 PolarHBondContact OH-SD 2.94Å; Y274-V307 HydrophobicContact CE1-CG1 3.65Å; Y274-V307 HydrophobicContact CE1-CG2 4.32Å
275	T	38.8	Very low	39.5	Very low	102 Å²	102	92.3 Å²	92.3	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-82.9	-20.6	177.5	48.9	0	0	0	0	112.8	E271 F272 V277	E271-T275 WeakPolarHBondContact O-CB 3.33Å; E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.15Å; E271-T275 PolarHBondContact O-OG1 3.06Å; F272-T275 WeakPolarHBondContact CA-OG1 3.38Å; F272-T275 PolarHBondContact O-OG1 3.21Å; T275-V277 PolarHBondContact O-N 2.8Å
276	S	38.9	Very low	39.4	Very low	41 Å²	41	92 Å²	92	29%	0.287	51%	0.51	S	S	.	.	S	Bend	trans	-69.5	107.9	166.5	59.7	0	0	0	0	110.8	F272 A273 L278	F272-S276 WeakPolarHBondContact O-CB 3.16Å; F272-S276 PolarHBondContact O-N 3.36Å; F272-S276 VanDerWaalsContact O-N 3.13Å; F272-S276 PolarHBondContact O-OG 2.8Å; A273-S276 PolarHBondContact O-OG 3.43Å; S276-L278 VanDerWaalsContact C-N 3.32Å; S276-L278 PolarHBondContact O-N 2.85Å
277	V	43.3	Very low	39.4	Very low	150 Å²	150	91.7 Å²	91.7	91%	0.909	51%	0.514	S	S	*	.			trans	-67.5	87.2	178.3	-176.1	0	0	0	0	110.5	T275	T275-V277 PolarHBondContact O-N 2.8Å
278	L	35.1	Very low	39.5	Very low	126 Å²	126	90.7 Å²	90.7	66%	0.66	51%	0.512	S	S	*	.			trans	-132.2	140.4	176.6	-68.4	171.1	0	0	0	108.1	S276 F280	S276-L278 VanDerWaalsContact C-N 3.32Å; S276-L278 PolarHBondContact O-N 2.85Å; L278-F280 VanDerWaalsContact O-CD2 3.29Å; L278-F280 WeakPolarHBondContact O-CD2 3.35Å; L278-F280 PolarHBondContact O-N 3.01Å; L278-F280 VanDerWaalsContact O-N 3.11Å
279	S	36.2	Very low	39.4	Very low	129 Å²	129	87.8 Å²	87.8	90%	0.902	49%	0.494	S	S	*	.			trans	-64.2	111.1	-170.1	54.6	0	0	0	0	112.6
280	F	31.8	Very low	39.4	Very low	112 Å²	112	88.6 Å²	88.6	49%	0.491	50%	0.498	S	S	.	.			trans	-78.1	140.8	175	-85.4	-96.6	0	0	0	112.1	L278	L278-F280 VanDerWaalsContact O-CD2 3.29Å; L278-F280 WeakPolarHBondContact O-CD2 3.35Å; L278-F280 PolarHBondContact O-N 3.01Å; L278-F280 VanDerWaalsContact O-N 3.11Å
281	D	34.5	Very low	39.4	Very low	116 Å²	116	88.9 Å²	88.9	62%	0.62	50%	0.5	S	S	*	.			trans	-105.8	114.2	178.4	-163.6	0.2	0	0	0	110	C283 S284	D281-C283 PolarHBondContact O-N 3.5Å; D281-S284 PolarHBondContact O-N 2.81Å
282	F	27.3	Very low	39.6	Very low	129 Å²	129	83.1 Å²	83.1	57%	0.566	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.6	-161.3	-77.9	-90.4	0	0	0	114.7	S284 M285 A286 M311	F282-S284 PolarHBondContact O-N 2.97Å; F282-M285 PolarHBondContact O-N 3.07Å; F282-M285 VanDerWaalsContact O-N 3.16Å; F282-A286 PolarHBondContact O-N 3.09Å; F282-M311 HydrophobicContact CE1-CE 4.45Å; F282-M311 HydrophobicContact CZ-CE 4.18Å
283	C	37.5	Very low	39.5	Very low	89 Å²	89	85.5 Å²	85.5	60%	0.601	48%	0.48	S	S	*	.	H	α-helix	trans	-57.6	-33.1	178.6	-62.4	0	0	0	0	112.9	D281 M285 A286 D287	D281-C283 PolarHBondContact O-N 3.5Å; C283-M285 VanDerWaalsContact C-N 3.34Å; C283-M285 PolarHBondContact O-N 3.12Å; C283-A286 PolarHBondContact O-N 3.45Å; C283-D287 PolarHBondContact O-N 3.08Å; C283-D287 VanDerWaalsContact O-N 3.15Å
284	S	47.1	Very low	39.2	Very low	75 Å²	75	90.6 Å²	90.6	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-32.3	-179.1	-60.1	0	0	0	0	112.7	D281 F282 V288	D281-S284 PolarHBondContact O-N 2.81Å; F282-S284 PolarHBondContact O-N 2.97Å; S284-V288 WeakPolarHBondContact O-CB 3.07Å; S284-V288 VanDerWaalsContact O-CG2 3.27Å; S284-V288 WeakPolarHBondContact O-CG2 3.3Å; S284-V288 PolarHBondContact O-N 2.94Å
285	M	36.5	Very low	39.1	Very low	29 Å²	29	91.6 Å²	91.6	14%	0.143	51%	0.507	C	S	.	.	H	α-helix	trans	-69.4	-42.2	176.7	-85.7	-70.6	-84.6	0	0	111.8	Y274 F282 C283 V288 A289 V307	Y274-M285 WeakPolarHBondContact OH-CE 3.23Å; Y274-M285 PolarHBondContact OH-SD 2.94Å; F282-M285 PolarHBondContact O-N 3.07Å; F282-M285 VanDerWaalsContact O-N 3.16Å; C283-M285 VanDerWaalsContact C-N 3.34Å; C283-M285 PolarHBondContact O-N 3.12Å; M285-V288 PolarHBondContact O-N 3.04Å; M285-A289 WeakPolarHBondContact O-CB 3.16Å; M285-A289 PolarHBondContact O-N 2.95Å; M285-V307 HydrophobicContact CE-CG1 3.97Å
286	A	40.1	Very low	39	Very low	53 Å²	53	96 Å²	96	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-47.8	174.9	0	0	0	0	0	111.5	F282 C283 V288 A289 I290	F282-A286 PolarHBondContact O-N 3.09Å; C283-A286 PolarHBondContact O-N 3.45Å; A286-V288 PolarHBondContact O-N 3.3Å; A286-A289 PolarHBondContact O-N 2.91Å; A286-I290 WeakPolarHBondContact O-CB 3.06Å; A286-I290 WeakPolarHBondContact O-CD1 3.35Å; A286-I290 WeakPolarHBondContact O-CG1 3.09Å; A286-I290 PolarHBondContact O-N 2.94Å
287	D	43.7	Very low	39.2	Very low	112 Å²	112	97.5 Å²	97.5	60%	0.599	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-40.4	177.6	-86	-18	0	0	0	112.5	C283 L291	C283-D287 PolarHBondContact O-N 3.08Å; C283-D287 VanDerWaalsContact O-N 3.15Å; D287-L291 WeakPolarHBondContact O-CB 3.42Å; D287-L291 PolarHBondContact O-N 3.42Å
288	V	44.4	Very low	39.1	Very low	78 Å²	78	93.6 Å²	93.6	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-67.8	-44.2	176.9	168.2	0	0	0	0	111.8	S284 M285 A286 L291 A292	S284-V288 WeakPolarHBondContact O-CB 3.07Å; S284-V288 VanDerWaalsContact O-CG2 3.27Å; S284-V288 WeakPolarHBondContact O-CG2 3.3Å; S284-V288 PolarHBondContact O-N 2.94Å; M285-V288 PolarHBondContact O-N 3.04Å; A286-V288 PolarHBondContact O-N 3.3Å; V288-L291 WeakPolarHBondContact O-CB 3.22Å; V288-L291 PolarHBondContact O-N 2.85Å; V288-A292 PolarHBondContact O-N 3.35Å
289	A	40.8	Very low	39.5	Very low	14 Å²	14	92.1 Å²	92.1	12%	0.116	49%	0.49	C	S	.	.	H	α-helix	trans	-65.1	-39.4	177.2	0	0	0	0	0	112.1	M285 A286 L291 A292 R293	M285-A289 WeakPolarHBondContact O-CB 3.16Å; M285-A289 PolarHBondContact O-N 2.95Å; A286-A289 PolarHBondContact O-N 2.91Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-A292 PolarHBondContact O-N 3.34Å; A289-R293 WeakPolarHBondContact O-CG 3.39Å; A289-R293 PolarHBondContact O-N 3.46Å
290	I	43.3	Very low	40.1	Very low	82 Å²	82	88.2 Å²	88.2	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-42.5	172	-71.8	165.3	0	0	0	110.4	A286 R293 H294	A286-I290 WeakPolarHBondContact O-CB 3.06Å; A286-I290 WeakPolarHBondContact O-CD1 3.35Å; A286-I290 WeakPolarHBondContact O-CG1 3.09Å; A286-I290 PolarHBondContact O-N 2.94Å; I290-R293 PolarHBondContact O-N 3.01Å; I290-H294 PolarHBondContact O-CD2 3.5Å; I290-H294 VanDerWaalsContact O-CD2 3.24Å; I290-H294 PolarHBondContact O-N 3.03Å
291	L	42.1	Very low	40.8	Very low	80 Å²	80	84.3 Å²	84.3	42%	0.419	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-42.6	176.4	-148.4	80.8	0	0	0	112.2	D287 V288 A289 H294 L295	D287-L291 WeakPolarHBondContact O-CB 3.42Å; D287-L291 PolarHBondContact O-N 3.42Å; V288-L291 WeakPolarHBondContact O-CB 3.22Å; V288-L291 PolarHBondContact O-N 2.85Å; A289-L291 VanDerWaalsContact C-N 3.33Å; L291-H294 PolarHBondContact O-N 3.11Å; L291-L295 HydrophobicContact CD2-CD1 4.42Å; L291-L295 HydrophobicContact CG-CD1 4.25Å; L291-L295 WeakPolarHBondContact O-CB 3.44Å; L291-L295 WeakPolarHBondContact O-CD1 3.34Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-L295 VanDerWaalsContact O-N 3.12Å
292	A	42.7	Very low	41.4	Very low	7 Å²	7	84.2 Å²	84.2	6%	0.058	44%	0.441	C	S	.	.	H	α-helix	trans	-66.9	-39.2	178.7	0	0	0	0	0	112.4	V288 A289 L295 F296 M297 V300 L301	V288-A292 PolarHBondContact O-N 3.35Å; A289-A292 PolarHBondContact O-N 3.34Å; A292-L295 CarbonylContact O-C 3.59Å; A292-L295 PolarHBondContact O-N 2.82Å; A292-F296 PolarHBondContact O-N 3.26Å; A292-F296 VanDerWaalsContact O-N 3.1Å; A292-M297 PolarHBondContact O-N 2.8Å; A292-V300 HydrophobicContact CB-CB 4.35Å; A292-V300 HydrophobicContact CB-CG1 4.02Å; A292-L301 HydrophobicContact CB-CD2 3.66Å; A292-L301 HydrophobicContact CB-CG 4.06Å
293	R	40.6	Very low	42.5	Very low	142 Å²	142	81.7 Å²	81.7	54%	0.536	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-45.7	171.3	-72.9	-177.3	-177.8	124.1	2.3	111.6	A289 I290 L295 F296 L301	A289-R293 WeakPolarHBondContact O-CG 3.39Å; A289-R293 PolarHBondContact O-N 3.46Å; I290-R293 PolarHBondContact O-N 3.01Å; R293-L295 PolarHBondContact O-N 3.38Å; R293-F296 PolarHBondContact O-N 3.23Å; R293-L301 HydrophobicContact CG-CD1 3.73Å; R293-L301 HydrophobicContact CG-CD2 3.65Å; R293-L301 HydrophobicContact CG-CG 4.37Å
294	H	37.4	Very low	43	Very low	151 Å²	151	78.1 Å²	78.1	70%	0.699	41%	0.408	S	S	*	.	H	α-helix	trans	-67.2	-12.9	175.9	-78.4	-54.8	0	0	0	114.8	I290 L291	I290-H294 PolarHBondContact O-CD2 3.5Å; I290-H294 VanDerWaalsContact O-CD2 3.24Å; I290-H294 PolarHBondContact O-N 3.03Å; L291-H294 PolarHBondContact O-N 3.11Å
295	L	39.7	Very low	43	Very low	106 Å²	106	80.2 Å²	80.2	56%	0.555	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	2.1	177.6	-67.7	170.4	0	0	0	113.5	L291 A292 R293 M297	L291-L295 HydrophobicContact CD2-CD1 4.42Å; L291-L295 HydrophobicContact CG-CD1 4.25Å; L291-L295 WeakPolarHBondContact O-CB 3.44Å; L291-L295 WeakPolarHBondContact O-CD1 3.34Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.94Å; L291-L295 VanDerWaalsContact O-N 3.12Å; A292-L295 CarbonylContact O-C 3.59Å; A292-L295 PolarHBondContact O-N 2.82Å; R293-L295 PolarHBondContact O-N 3.38Å; L295-M297 VanDerWaalsContact C-N 3.3Å; L295-M297 HydrophobicContact CB-CG 4.1Å; L295-M297 HydrophobicContact CB-SD 4.47Å; L295-M297 PolarHBondContact O-N 2.83Å
296	F	35	Very low	43.5	Very low	196 Å²	196	81.7 Å²	81.7	86%	0.86	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	40	-177.4	-63.3	-86.1	0	0	0	114	A292 R293 S298	A292-F296 PolarHBondContact O-N 3.26Å; A292-F296 VanDerWaalsContact O-N 3.1Å; R293-F296 PolarHBondContact O-N 3.23Å; F296-S298 PolarHBondContact O-N 3.36Å
297	M	44	Very low	43.7	Very low	71 Å²	71	80.4 Å²	80.4	35%	0.35	41%	0.409	S	S	.	.			trans	-97.5	82.4	179.8	-65.7	-168.2	68.1	0	0	111.5	A292 L295 E299 V300 L301	A292-M297 PolarHBondContact O-N 2.8Å; L295-M297 VanDerWaalsContact C-N 3.3Å; L295-M297 HydrophobicContact CB-CG 4.1Å; L295-M297 HydrophobicContact CB-SD 4.47Å; L295-M297 PolarHBondContact O-N 2.83Å; M297-E299 PolarHBondContact O-N 3.1Å; M297-V300 HydrophobicContact CB-CB 4.26Å; M297-V300 HydrophobicContact CB-CG2 4.16Å; M297-V300 HydrophobicContact CE-CG2 3.92Å; M297-V300 PolarHBondContact O-N 3.42Å; M297-L301 PolarHBondContact O-N 3.24Å
298	S	40.5	Very low	43.8	Very low	68 Å²	68	79.4 Å²	79.4	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-56.6	-46.7	-177.3	61	0	0	0	0	113.2	F296 V300 L301 E302	F296-S298 PolarHBondContact O-N 3.36Å; S298-V300 PolarHBondContact O-N 3.29Å; S298-L301 WeakPolarHBondContact O-CA 3.27Å; S298-L301 WeakPolarHBondContact O-CB 3.36Å; S298-L301 PolarHBondContact O-N 2.85Å; S298-E302 WeakPolarHBondContact CB-OE1 3.45Å; S298-E302 WeakPolarHBondContact O-CG 3.48Å; S298-E302 PolarHBondContact O-N 2.91Å
299	E	45	Very low	44	Very low	95 Å²	95	81.6 Å²	81.6	44%	0.444	40%	0.404	S	S	.	.	H	α-helix	trans	-51.4	-35.4	178.3	-52	157.4	143	0	0	112.7	K263 M297 I303	K263-E299 WeakPolarHBondContact CE-OE2 3.44Å; K263-E299 IonicContact NZ-OE1 2.69Å; K263-E299 PolarHBondContact NZ-OE1 3.02Å; K263-E299 IonicContact NZ-OE2 3.3Å; K263-E299 PolarHBondContact NZ-OE2 3.22Å; M297-E299 PolarHBondContact O-N 3.1Å; E299-I303 WeakPolarHBondContact O-CD1 3.42Å; E299-I303 VanDerWaalsContact O-CG1 3.25Å; E299-I303 WeakPolarHBondContact O-CG1 3.5Å; E299-I303 PolarHBondContact O-N 3.29Å
300	V	47.4	Very low	44.2	Very low	47 Å²	47	85 Å²	85	29%	0.285	42%	0.42	S	S	.	.	H	α-helix	trans	-81.5	-30.9	-179.2	179.3	0	0	0	0	111	A292 M297 S298 C304	A292-V300 HydrophobicContact CB-CB 4.35Å; A292-V300 HydrophobicContact CB-CG1 4.02Å; M297-V300 HydrophobicContact CB-CB 4.26Å; M297-V300 HydrophobicContact CB-CG2 4.16Å; M297-V300 HydrophobicContact CE-CG2 3.92Å; M297-V300 PolarHBondContact O-N 3.42Å; S298-V300 PolarHBondContact O-N 3.29Å; V300-C304 PolarHBondContact O-N 3.14Å; V300-C304 PolarHBondContact O-SG 2.88Å
301	L	47.2	Very low	44.2	Very low	31 Å²	31	86.4 Å²	86.4	16%	0.162	43%	0.426	C	S	.	.	H	α-helix	trans	-73.2	-40	176.2	-64.2	170	0	0	0	111.4	A292 R293 M297 S298 I303 C304 E305	A292-L301 HydrophobicContact CB-CD2 3.66Å; A292-L301 HydrophobicContact CB-CG 4.06Å; R293-L301 HydrophobicContact CG-CD1 3.73Å; R293-L301 HydrophobicContact CG-CD2 3.65Å; R293-L301 HydrophobicContact CG-CG 4.37Å; M297-L301 PolarHBondContact O-N 3.24Å; S298-L301 WeakPolarHBondContact O-CA 3.27Å; S298-L301 WeakPolarHBondContact O-CB 3.36Å; S298-L301 PolarHBondContact O-N 2.85Å; L301-I303 VanDerWaalsContact C-N 3.29Å; L301-I303 PolarHBondContact O-N 2.85Å; L301-C304 CarbonylContact O-C 3.52Å; L301-C304 PolarHBondContact O-N 3.47Å; L301-C304 VanDerWaalsContact O-N 3.12Å; L301-E305 PolarHBondContact O-N 3.29Å
302	E	46.5	Very low	44.5	Very low	114 Å²	114	89.3 Å²	89.3	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-39	172.1	-69	155.2	-151	0	0	111.3	S298 S306	S298-E302 WeakPolarHBondContact CB-OE1 3.45Å; S298-E302 WeakPolarHBondContact O-CG 3.48Å; S298-E302 PolarHBondContact O-N 2.91Å; E302-S306 WeakPolarHBondContact O-CB 3.31Å; E302-S306 PolarHBondContact O-N 3Å; E302-S306 PolarHBondContact O-OG 3.22Å
303	I	49.9	Very low	44.5	Very low	76 Å²	76	94.5 Å²	94.5	39%	0.39	46%	0.46	S	S	.	.	H	α-helix	trans	-67.5	-41.7	171.7	-68.2	167	0	0	0	111.3	E299 L301 E305 S306 V307	E299-I303 WeakPolarHBondContact O-CD1 3.42Å; E299-I303 VanDerWaalsContact O-CG1 3.25Å; E299-I303 WeakPolarHBondContact O-CG1 3.5Å; E299-I303 PolarHBondContact O-N 3.29Å; L301-I303 VanDerWaalsContact C-N 3.29Å; L301-I303 PolarHBondContact O-N 2.85Å; I303-E305 PolarHBondContact O-N 2.59Å; I303-S306 WeakPolarHBondContact CA-OG 3.48Å; I303-S306 PolarHBondContact O-OG 3.03Å; I303-S306 VanDerWaalsContact O-OG 3.11Å; I303-V307 HydrophobicContact CG2-CG2 4.45Å; I303-V307 WeakPolarHBondContact O-CB 3.48Å; I303-V307 VanDerWaalsContact O-CG2 3.24Å; I303-V307 WeakPolarHBondContact O-CG2 3.34Å; I303-V307 PolarHBondContact O-N 2.87Å
304	C	48.4	Very low	44.8	Very low	14 Å²	14	94.8 Å²	94.8	10%	0.095	47%	0.466	C	S	.	.	H	α-helix	trans	-64.1	-39	175.2	-71.8	0	0	0	0	112.9	V300 L301 H308	V300-C304 PolarHBondContact O-N 3.14Å; V300-C304 PolarHBondContact O-SG 2.88Å; L301-C304 CarbonylContact O-C 3.52Å; L301-C304 PolarHBondContact O-N 3.47Å; L301-C304 VanDerWaalsContact O-N 3.12Å; C304-H308 WeakPolarHBondContact O-CB 3.45Å; C304-H308 PolarHBondContact O-CD2 2.72Å; C304-H308 PolarHBondContact O-N 3.02Å
305	E	48	Very low	44.9	Very low	118 Å²	118	95.8 Å²	95.8	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-72.1	-42.1	178.8	-77.2	176.3	171.6	0	0	111.8	L301 I303 V307 H308 K309	L301-E305 PolarHBondContact O-N 3.29Å; I303-E305 PolarHBondContact O-N 2.59Å; E305-V307 PolarHBondContact O-N 2.8Å; E305-H308 PolarHBondContact O-N 2.92Å; E305-K309 WeakPolarHBondContact O-CB 3.44Å; E305-K309 PolarHBondContact O-N 3.32Å
306	S	46.3	Very low	44.5	Very low	60 Å²	60	98.7 Å²	98.7	42%	0.42	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-35.6	173.4	51.4	0	0	0	0	113	E302 I303 L310	E302-S306 WeakPolarHBondContact O-CB 3.31Å; E302-S306 PolarHBondContact O-N 3Å; E302-S306 PolarHBondContact O-OG 3.22Å; I303-S306 WeakPolarHBondContact CA-OG 3.48Å; I303-S306 PolarHBondContact O-OG 3.03Å; I303-S306 VanDerWaalsContact O-OG 3.11Å; S306-L310 WeakPolarHBondContact O-CB 3.41Å; S306-L310 PolarHBondContact O-N 3.44Å
307	V	45.1	Very low	44.3	Very low	26 Å²	26	95.3 Å²	95.3	16%	0.158	48%	0.482	C	S	.	.	H	α-helix	trans	-68.3	-41.8	171.8	166.8	0	0	0	0	112.2	Y274 M285 I303 E305 K309 L310 M311	Y274-V307 HydrophobicContact CE1-CG1 3.65Å; Y274-V307 HydrophobicContact CE1-CG2 4.32Å; M285-V307 HydrophobicContact CE-CG1 3.97Å; I303-V307 HydrophobicContact CG2-CG2 4.45Å; I303-V307 WeakPolarHBondContact O-CB 3.48Å; I303-V307 VanDerWaalsContact O-CG2 3.24Å; I303-V307 WeakPolarHBondContact O-CG2 3.34Å; I303-V307 PolarHBondContact O-N 2.87Å; E305-V307 PolarHBondContact O-N 2.8Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 3.15Å; V307-L310 PolarHBondContact O-N 3.28Å; V307-M311 PolarHBondContact O-N 2.9Å
308	H	45.8	Very low	43.4	Very low	91 Å²	91	97.9 Å²	97.9	42%	0.421	50%	0.501	S	S	.	.	H	α-helix	trans	-58.3	-47.3	173.1	-99.8	-108.5	0	0	0	110.9	C304 E305 L310 M311 E312	C304-H308 WeakPolarHBondContact O-CB 3.45Å; C304-H308 PolarHBondContact O-CD2 2.72Å; C304-H308 PolarHBondContact O-N 3.02Å; E305-H308 PolarHBondContact O-N 2.92Å; H308-L310 PolarHBondContact O-N 2.89Å; H308-M311 WeakPolarHBondContact O-CB 3.27Å; H308-M311 PolarHBondContact O-N 2.9Å; H308-E312 PolarHBondContact O-N 3.4Å
309	K	47.8	Very low	42.8	Very low	124 Å²	124	105.2 Å²	105.2	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-60.6	-44.9	177.8	-158.6	-171.3	-178.9	-137.5	0	111.9	E305 V307 M311 E312 E313	E305-K309 WeakPolarHBondContact O-CB 3.44Å; E305-K309 PolarHBondContact O-N 3.32Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 3.15Å; K309-M311 PolarHBondContact O-N 3.11Å; K309-E312 PolarHBondContact O-N 3.2Å; K309-E313 WeakPolarHBondContact CE-OE1 3.45Å; K309-E313 WeakPolarHBondContact CG-OE1 3.32Å; K309-E313 IonicContact NZ-OE1 2.74Å; K309-E313 PolarHBondContact NZ-OE1 2.79Å; K309-E313 VanDerWaalsContact O-CB 3.29Å; K309-E313 WeakPolarHBondContact O-CB 3.41Å; K309-E313 VanDerWaalsContact O-CG 3.24Å; K309-E313 WeakPolarHBondContact O-CG 2.96Å; K309-E313 PolarHBondContact O-N 3.3Å
310	L	45.8	Very low	42.1	Very low	86 Å²	86	110.5 Å²	110.5	45%	0.45	54%	0.541	S	S	.	.	H	α-helix	trans	-64.3	-19.9	174.1	-91.1	163.4	0	0	0	114.4	S306 V307 H308 K314	S306-L310 WeakPolarHBondContact O-CB 3.41Å; S306-L310 PolarHBondContact O-N 3.44Å; V307-L310 PolarHBondContact O-N 3.28Å; H308-L310 PolarHBondContact O-N 2.89Å; L310-K314 WeakPolarHBondContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CD 3.46Å; L310-K314 VanDerWaalsContact O-CG 3.26Å; L310-K314 WeakPolarHBondContact O-CG 3.46Å
311	M	42.7	Very low	41.3	Very low	112 Å²	112	118.3 Å²	118.3	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-85.9	-39.9	171.3	-79.9	-152.2	68	0	0	112.4	F282 V307 H308 K309 E313 K314 Q315	F282-M311 HydrophobicContact CE1-CE 4.45Å; F282-M311 HydrophobicContact CZ-CE 4.18Å; V307-M311 PolarHBondContact O-N 2.9Å; H308-M311 WeakPolarHBondContact O-CB 3.27Å; H308-M311 PolarHBondContact O-N 2.9Å; K309-M311 PolarHBondContact O-N 3.11Å; M311-E313 VanDerWaalsContact C-N 3.33Å; M311-K314 PolarHBondContact O-N 2.79Å; M311-K314 VanDerWaalsContact O-N 3.13Å; M311-Q315 PolarHBondContact O-N 2.94Å
312	E	48.1	Very low	40.5	Very low	140 Å²	140	120.5 Å²	120.5	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-63.4	-40.6	173.5	-70.5	175.1	166.6	0	0	111.1	H308 K309 K314	H308-E312 PolarHBondContact O-N 3.4Å; K309-E312 PolarHBondContact O-N 3.2Å; E312-K314 PolarHBondContact O-N 2.61Å
313	E	43.7	Very low	39.6	Very low	116 Å²	116	124.2 Å²	124.2	54%	0.542	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-7.7	173.4	-70.6	169.2	178.7	0	0	113.6	K309 M311	K309-E313 WeakPolarHBondContact CE-OE1 3.45Å; K309-E313 WeakPolarHBondContact CG-OE1 3.32Å; K309-E313 IonicContact NZ-OE1 2.74Å; K309-E313 PolarHBondContact NZ-OE1 2.79Å; K309-E313 VanDerWaalsContact O-CB 3.29Å; K309-E313 WeakPolarHBondContact O-CB 3.41Å; K309-E313 VanDerWaalsContact O-CG 3.24Å; K309-E313 WeakPolarHBondContact O-CG 2.96Å; K309-E313 PolarHBondContact O-N 3.3Å; M311-E313 VanDerWaalsContact C-N 3.33Å
314	K	46.4	Very low	38.6	Very low	148 Å²	148	127.1 Å²	127.1	64%	0.643	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	17.1	-174.6	-69.6	-173.6	179	-178.4	0	116.1	L310 M311 E312 L316	L310-K314 WeakPolarHBondContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CD 3.46Å; L310-K314 VanDerWaalsContact O-CG 3.26Å; L310-K314 WeakPolarHBondContact O-CG 3.46Å; M311-K314 PolarHBondContact O-N 2.79Å; M311-K314 VanDerWaalsContact O-N 3.13Å; E312-K314 PolarHBondContact O-N 2.61Å; K314-L316 PolarHBondContact O-N 2.94Å
315	Q	40.4	Very low	37.5	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	67%	0.674	S	S	*	*			trans	10.1	97.1	168.8	-62.4	-170.6	6.4	0	0	117.7	M311	M311-Q315 PolarHBondContact O-N 2.94Å
316	L	31	Very low	36.4	Very low	166 Å²	166	136.1 Å²	136.1	87%	0.869	69%	0.69	S	S	*	*			trans	-133.6	133.5	168	-80.2	175.1	0	0	0	112.7	K314	K314-L316 PolarHBondContact O-N 2.94Å
317	T	30.1	Very low	35.5	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	71%	0.708	S	S	*	*			trans	-92.7	142	-177	50.4	0	0	0	0	112
318	V	25.3	Very low	34.4	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	74%	0.737	S	S	*	*			trans	-97.4	121.2	-177.1	-179.8	0	0	0	0	111.1
319	Y	27.2	Very low	33.5	Very low	223 Å²	223	143.6 Å²	143.6	88%	0.875	75%	0.754	S	S	*	*			trans	-108.7	142.5	164.1	-89.4	-87.7	0	0	0	111.2
320	K	31.6	Very low	32.5	Very low	206 Å²	206	142.9 Å²	142.9	90%	0.896	76%	0.76	S	S	*	*			trans	-113.3	127.6	-173.6	-173.7	179.6	-174.2	176.3	0	109.5
321	K	29.8	Very low	31.8	Very low	211 Å²	211	146.5 Å²	146.5	92%	0.917	77%	0.774	S	S	*	*			trans	-145	140.2	176.7	-158.3	170.2	-172.9	176.4	0	112.3
322	G	31.6	Very low	31	Very low	76 Å²	76	148.1 Å²	148.1	78%	0.784	79%	0.785	S	S	*	*			trans	-174	84.5	177.8	0	0	0	0	0	111.2
323	E	26.9	Very low	29.9	Very low	192 Å²	192	149.1 Å²	149.1	90%	0.897	79%	0.794	S	S	*	*			trans	-152.2	144.4	165.8	-130.4	167.7	-138.9	0	0	108.6
324	V	29.5	Very low	30	Very low	138 Å²	138	148.8 Å²	148.8	84%	0.836	80%	0.802	S	S	*	*			trans	-115.3	128.1	-166.5	176.1	0	0	0	0	110.2
325	Q	23.8	Very low	29.2	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	81%	0.806	S	S	*	*			trans	-70.4	145.5	174.9	-78.6	-177.1	-30	0	0	112.4
326	T	25.2	Very low	28.9	Very low	144 Å²	144	146.3 Å²	146.3	88%	0.883	80%	0.801	S	S	*	*			trans	-119.8	142.9	152.5	-45.1	0	0	0	0	107
327	V	27.4	Very low	28.9	Very low	131 Å²	131	145.4 Å²	145.4	79%	0.794	80%	0.797	S	S	*	*			trans	-102	128	-165.9	176.5	0	0	0	0	112.2
328	A	23.5	Very low	28.8	Very low	92 Å²	92	143.5 Å²	143.5	76%	0.76	80%	0.802	S	S	*	*			trans	-170.4	108.4	142.8	0	0	0	0	0	114.8
329	S	26.6	Very low	29	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	80%	0.8	S	S	*	*			trans	74.7	161	140.3	-138.5	0	0	0	0	123.9
330	T	26.7	Very low	28.9	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	80%	0.803	S	S	*	*			trans	60.6	93.8	163.8	44.5	0	0	0	0	120.8
331	Q	30	Very low	28.8	Very low	163 Å²	163	131.7 Å²	131.7	76%	0.762	79%	0.793	S	S	*	*				76.6	141	119.1	-77.8	174.9	-67.7	0	0	123.3
332	D	25.9	Very low	29.6	Very low	145 Å²	145	127 Å²	127	78%	0.775	79%	0.785	S	S	*	*			trans	78.6	140.5	151.6	-56.3	-21.5	0	0	0	123.5
333	L	25.8	Very low	30.4	Very low	162 Å²	162	129 Å²	129	85%	0.848	78%	0.784	S	S	*	*			trans	-107.8	-171.4	176.7	-70.1	164.7	0	0	0	107.9
334	P	46	Very low	30.5	Very low	108 Å²	108	126.4 Å²	126.4	70%	0.701	78%	0.781	S	S	*	*			cis	-130.7	-153.6	-25.3	18	8.7	0	0	0	111.5
335	V	28.6	Very low	30.4	Very low	119 Å²	119	124 Å²	124	72%	0.721	78%	0.775	S	S	*	*			trans	87	135	150.5	-177.7	0	0	0	0	118
336	Q	35.1	Very low	30.6	Very low	151 Å²	151	121.2 Å²	121.2	71%	0.706	78%	0.775	S	S	*	*			cis	-167.5	155.1	-28.4	-114.6	178.9	38.8	0	0	111.3
337	N	31	Very low	30.7	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	77%	0.765	S	S	*	*			trans	55.1	137.7	140.7	-63	-11.2	0	0	0	125.7
338	G	28.1	Very low	30.8	Very low	86 Å²	86	122.4 Å²	122.4	89%	0.887	77%	0.766	S	S	*	*			trans	116.5	128.4	144.9	0	0	0	0	0	116.4
339	G	28.4	Very low	31	Very low	68 Å²	68	121.8 Å²	121.8	70%	0.701	77%	0.769	S	S	*	*			cis	164.6	164.9	-10.8	0	0	0	0	0	114.1
340	T	25.8	Very low	30.9	Very low	153 Å²	153	122.7 Å²	122.7	94%	0.939	77%	0.77	S	S	*	*			trans	81.9	154.8	165.6	-5.3	0	0	0	0	120.6
341	A	28.7	Very low	30.7	Very low	84 Å²	84	122.9 Å²	122.9	69%	0.694	77%	0.771	S	S	*	*			trans	-156	-170.4	-178	0	0	0	0	0	108.8
342	P	47.9	Very low	30.4	Very low	114 Å²	114	120.5 Å²	120.5	74%	0.74	77%	0.767	S	S	*	*			cis	-111.2	-118.4	-9.7	41.9	-23.4	0	0	0	110.1
343	P	46.8	Very low	30.4	Very low	118 Å²	118	121 Å²	121	77%	0.766	77%	0.769	S	S	*	*			cis	-95.5	-173.2	-15.4	27.8	-10.2	0	0	0	113.2
344	V	30.3	Very low	30.4	Very low	137 Å²	137	117.9 Å²	117.9	83%	0.83	76%	0.761	S	S	*	*			cis	119.4	139	4.3	-179.4	0	0	0	0	114.9
345	A	27	Very low	29.3	Very low	88 Å²	88	118.4 Å²	118.4	73%	0.727	76%	0.763	S	S	*	*			trans	100.2	127.4	177.8	0	0	0	0	0	115.8
346	S	27.5	Very low	29	Very low	118 Å²	118	120.5 Å²	120.5	83%	0.825	76%	0.764	S	S	*	*			cis	92.3	137.1	37.5	-65.5	0	0	0	0	113.1
347	N	28.3	Very low	28.7	Very low	126 Å²	126	121.2 Å²	121.2	67%	0.674	77%	0.772	S	S	*	*			cis	-161.7	169	-9.5	-161.6	28.2	0	0	0	111.2
348	E	29.1	Very low	28.3	Very low	173 Å²	173	117.4 Å²	117.4	81%	0.808	77%	0.767	S	S	*	*			trans	27	145.2	156.2	-74.5	164.8	-133.3	0	0	124.3
349	G	26.7	Very low	28	Very low	79 Å²	79	121.2 Å²	121.2	81%	0.814	77%	0.768	S	S	*	*			trans	174.4	126.5	164.3	0	0	0	0	0	116.9
350	T	25.5	Very low	27.9	Very low	130 Å²	130	123.2 Å²	123.2	80%	0.798	77%	0.769	S	S	*	*			trans	-108.9	163.9	-161.8	-39.2	0	0	0	0	115.2
351	T	23.1	Very low	28.2	Very low	113 Å²	113	124.7 Å²	124.7	69%	0.693	77%	0.765	S	S	*	*			trans	88	117	145.5	10.8	0	0	0	0	123.4
352	T	23.8	Very low	28	Very low	112 Å²	112	129 Å²	129	69%	0.687	78%	0.775	S	S	*	*			trans	63	125.5	133.4	47.1	0	0	0	0	126.1
353	L	25.6	Very low	26.9	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	78%	0.776	S	S	*	*			trans	72.7	135.7	130.3	-81.4	161	0	0	0	123.7
354	S	24.1	Very low	25.9	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	78%	0.775	S	S	*	*			trans	89.6	121.9	140.8	-66.5	0	0	0	0	122.7
355	T	22.9	Very low	25.8	Very low	118 Å²	118	131.4 Å²	131.4	72%	0.724	77%	0.773	S	S	*	*			trans	78.3	105	131.3	-52.9	0	0	0	0	121.9
356	E	22.9	Very low	25.8	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.762	77%	0.77	S	S	*	*			trans	45.7	122.7	131.3	-59.3	-172.3	176	0	0	124
357	L	28.6	Very low	25.8	Very low	167 Å²	167	134.2 Å²	134.2	87%	0.874	77%	0.77	S	S	*	*			trans	69.1	146.3	132	-60.7	170.4	0	0	0	120.8
358	G	22.9	Very low	25.6	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	78%	0.775	S	S	*	*			trans	99.2	149	-178.6	0	0	0	0	0	113.2
359	D	22.1	Very low	25.4	Very low	167 Å²	167	132.3 Å²	132.3	89%	0.893	78%	0.777	S	S	*	*			cis	-155.4	178.8	-8.5	-117.3	-37.9	0	0	0	112.1
360	C	25.6	Very low	25.6	Very low	109 Å²	109	135.3 Å²	135.3	74%	0.736	77%	0.774	S	S	*	*			trans	-83.1	161.7	-176.7	-70.5	0	0	0	0	115.3
361	E	33.8	Very low	26.5	Very low	184 Å²	184	134.2 Å²	134.2	86%	0.86	77%	0.769	S	S	*	*			trans	41.9	121.4	150.8	-66	-177.6	135.4	0	0	121.2
362	I	24.3	Very low	26.9	Very low	175 Å²	175	137.2 Å²	137.2	90%	0.897	78%	0.775	S	S	*	*			trans	-158.8	164.6	139.4	-107.3	153.5	0	0	0	110
363	V	25	Very low	27.4	Very low	124 Å²	124	135.7 Å²	135.7	75%	0.752	77%	0.774	S	S	*	*			trans	-114	151.8	-162	-175.6	0	0	0	0	111.9
364	L	25.5	Very low	27.7	Very low	143 Å²	143	136.1 Å²	136.1	75%	0.749	77%	0.772	S	S	*	*			trans	145.8	134.5	136.4	-78.3	168.4	0	0	0	115.5
365	L	28	Very low	28.4	Very low	152 Å²	152	138 Å²	138	80%	0.796	77%	0.77	S	S	*	*			trans	63.3	149.2	143.6	-62.2	170.7	0	0	0	119.6
366	V	26.5	Very low	28.8	Very low	109 Å²	109	139.2 Å²	139.2	66%	0.661	77%	0.772	S	S	*	*			cis	-158.9	151.8	-16.7	95.9	0	0	0	0	109.7
367	N	27.4	Very low	29.1	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	77%	0.765	S	S	*	*			trans	54.3	125.3	175	-56	-6.7	0	0	0	116.5
368	G	25.1	Very low	29.2	Very low	74 Å²	74	134.9 Å²	134.9	76%	0.763	76%	0.763	S	S	*	*			cis	175.8	-165.6	5.3	0	0	0	0	0	108.5
369	E	24	Very low	29.6	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	77%	0.77	S	S	*	*			cis	-149.3	-165.8	-0.6	-79.6	-152.3	69.1	0	0	110.9
370	L	30.4	Very low	29.7	Very low	142 Å²	142	134.7 Å²	134.7	74%	0.743	76%	0.763	S	S	*	*			trans	-72.8	174.2	-176.5	-73	150.1	0	0	0	115.8
371	P	44.9	Very low	30	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	77%	0.772	S	S	*	*			cis	-106.6	178.7	-2.1	39.9	-32.5	0	0	0	112.3
372	E	31.2	Very low	29.6	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	77%	0.771	S	S	*	*			cis	-174.5	-175.7	-10.3	-103.4	170.1	-111	0	0	104.4
373	A	34.3	Very low	31.7	Very low	80 Å²	80	137.4 Å²	137.4	66%	0.661	76%	0.76	S	S	*	*			cis	-179.3	159.7	-30.5	0	0	0	0	0	103.8
374	E	32.7	Very low	31.6	Very low	164 Å²	164	140 Å²	140	77%	0.766	76%	0.764	S	S	*	*			cis	-162.9	177	-14.5	-109.2	-151.1	146.7	0	0	103.8
375	Q	39.2	Very low	32.9	Very low	139 Å²	139	138.2 Å²	138.2	65%	0.65	76%	0.761	S	S	*	*			cis	-163.1	172.7	-6.6	-127.4	-167.9	86.6	0	0	103.7
376	N	31.1	Very low	33	Very low	143 Å²	143	140 Å²	140	77%	0.765	77%	0.765	S	S	*	*			cis	-160.4	170.1	-17.2	-144.1	-22.7	0	0	0	103.9
377	G	28.5	Very low	32.9	Very low	60 Å²	60	141.9 Å²	141.9	62%	0.619	78%	0.777	S	S	*	*			cis	-165.6	-157.8	2.8	0	0	0	0	0	109.6
378	E	29.8	Very low	32.9	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	77%	0.77	S	S	*	*			trans	-151.7	-173.7	-153.1	-148.5	-147.9	136	0	0	116.2
379	L	31.4	Very low	33.1	Very low	155 Å²	155	141 Å²	141	81%	0.812	77%	0.771	S	S	*	*			trans	88.1	147.8	164.7	-54.9	169.4	0	0	0	118.8
380	G	26	Very low	33.2	Very low	73 Å²	73	141 Å²	141	75%	0.753	77%	0.771	S	S	*	*			cis	-162.8	-162.8	7.8	0	0	0	0	0	117.5
381	R	29.8	Very low	33.2	Very low	244 Å²	244	138.4 Å²	138.4	92%	0.921	77%	0.77	S	S	*	*			trans	-86	147.3	-154.1	-72.1	176	171.2	-173.8	-3.5	120
382	Q	25.8	Very low	32.3	Very low	177 Å²	177	142.4 Å²	142.4	83%	0.827	78%	0.779	S	S	*	*				10.6	165.6	119.2	-69.8	-123.3	-22.6	0	0	122.6
383	P	68.8	Low	32.1	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	78%	0.777	S	S	*	*			cis	-146.9	-149.6	-30.2	42.9	-21.7	0	0	0	115
384	E	23.8	Very low	31.8	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	78%	0.779	S	S	*	*			trans	103.8	171	158	-112	-164.6	-132.1	0	0	120.4
385	P	51.5	Low	31.5	Very low	105 Å²	105	139 Å²	139	68%	0.682	79%	0.785	S	S	*	*				-131.5	-179.7	-114.5	45.7	-28.2	0	0	0	120.6
386	Q	30.4	Very low	30.8	Very low	188 Å²	188	137 Å²	137	88%	0.879	79%	0.786	S	S	*	*			trans	-9.8	146.4	171	-54.6	-178.1	7.4	0	0	123.6
387	V	24.1	Very low	30.7	Very low	149 Å²	149	135.2 Å²	135.2	90%	0.903	79%	0.785	S	S	*	*				-177.8	174.3	124.5	145.7	0	0	0	0	111
388	S	27.9	Very low	30.7	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	79%	0.794	S	S	*	*			trans	-128.9	155.1	-162	56.7	0	0	0	0	116.6
389	S	29.4	Very low	30.5	Very low	111 Å²	111	133 Å²	133	78%	0.776	78%	0.783	S	S	*	*			trans	168	148.7	132	44	0	0	0	0	115.8
390	E	26.2	Very low	30.4	Very low	186 Å²	186	131.5 Å²	131.5	87%	0.869	78%	0.784	S	S	*	*			trans	23.6	155.4	137.5	-67.9	168	-164.5	0	0	122.9
391	A	29.6	Very low	30.3	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	79%	0.785	S	S	*	*			cis	-171.6	-160.8	-13.5	0	0	0	0	0	110.8
392	E	26.1	Very low	30.1	Very low	193 Å²	193	127.3 Å²	127.3	90%	0.902	77%	0.771	S	S	*	*			trans	76.9	158.9	169.6	-71.3	-63	106.5	0	0	120.6
393	A	27.2	Very low	29.9	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	77%	0.771	S	S	*	*			trans	-140	171.5	-147.3	0	0	0	0	0	117.5
394	A	28	Very low	27.8	Very low	86 Å²	86	126.5 Å²	126.5	71%	0.711	78%	0.775	S	S	*	*			trans	125.8	119.2	132.5	0	0	0	0	0	120.3
395	L	26	Very low	27.9	Very low	170 Å²	170	126.8 Å²	126.8	89%	0.89	78%	0.776	S	S	*	*			trans	63.2	151.1	140.1	-58.5	169.1	0	0	0	119.7
396	S	25.5	Very low	27.2	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	78%	0.781	S	S	*	*			cis	-161.9	156.1	17.3	-160.2	0	0	0	0	114.5
397	S	28.9	Very low	26.9	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	77%	0.773	S	S	*	*			trans	56.8	154.9	149.7	74	0	0	0	0	120.9
398	V	27.7	Very low	26.8	Very low	134 Å²	134	123.1 Å²	123.1	81%	0.812	77%	0.767	S	S	*	*			cis	-143.8	159.4	12	-177.7	0	0	0	0	107.8
399	G	27.3	Very low	26.6	Very low	58 Å²	58	126.6 Å²	126.6	60%	0.598	77%	0.77	S	S	*	*			cis	137.3	140.2	-6.9	0	0	0	0	0	114.4
400	C	27.7	Very low	26.4	Very low	122 Å²	122	125.5 Å²	125.5	82%	0.824	76%	0.762	S	S	*	*			trans	71.9	156.2	157.1	-61.8	0	0	0	0	119.2
401	I	25.1	Very low	26.3	Very low	154 Å²	154	122.2 Å²	122.2	79%	0.79	76%	0.755	S	S	*	*			cis	-163.7	168.4	-9	-113.9	169.5	0	0	0	111.7
402	A	24.3	Very low	26	Very low	75 Å²	75	124 Å²	124	62%	0.62	75%	0.752	S	S	*	*			trans	75.5	111.5	155.4	0	0	0	0	0	124.5
403	D	22.2	Very low	26	Very low	154 Å²	154	121.4 Å²	121.4	82%	0.824	74%	0.744	S	S	*	*				73.4	141.1	112	-62.1	-44.8	0	0	0	128.1
404	S	24.1	Very low	25.9	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	74%	0.74	S	S	*	*			trans	99	117.1	136.3	73	0	0	0	0	122.5
405	H	25.8	Very low	25.9	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.856	74%	0.738	S	S	*	*			trans	-63.8	147.7	141.3	-75.2	-66.7	0	0	0	109.4
406	P	38.1	Very low	26	Very low	119 Å²	119	124.2 Å²	124.2	77%	0.773	73%	0.73	S	S	*	*				-137.9	150.6	67	21.3	2.6	0	0	0	114
407	A	22.9	Very low	26.1	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	73%	0.733	S	S	*	*				86.2	150.6	52.8	0	0	0	0	0	115.5
408	M	23.4	Very low	26.1	Very low	159 Å²	159	126.1 Å²	126.1	78%	0.783	72%	0.724	S	S	*	*			trans	81.2	144.4	158	-96.8	-167.5	-175.7	0	0	122.4
409	K	23.8	Very low	26.2	Very low	173 Å²	173	127 Å²	127	75%	0.752	72%	0.72	S	S	*	*			trans	72.7	136.2	146.1	-73.9	169	176.4	171.3	0	119
410	S	24.7	Very low	26.2	Very low	88 Å²	88	130.3 Å²	130.3	62%	0.615	73%	0.728	S	S	*	*			cis	160.6	-164.2	-16.7	45.7	0	0	0	0	105.6
411	V	24.3	Very low	26.2	Very low	117 Å²	117	131 Å²	131	71%	0.709	72%	0.717	S	S	*	*			trans	72.4	80.3	167.7	-159.6	0	0	0	0	113.3
412	D	22.4	Very low	26.2	Very low	126 Å²	126	130.6 Å²	130.6	67%	0.674	72%	0.716	S	S	*	*				67.7	121.5	69.6	-57.8	-61.3	0	0	0	114.8
413	L	25.7	Very low	26.2	Very low	138 Å²	138	132.8 Å²	132.8	72%	0.723	71%	0.713	S	S	*	*				91.7	143.3	123.8	-107.3	64.8	0	0	0	123.4
414	I	26.7	Very low	26.6	Very low	132 Å²	132	130.2 Å²	130.2	68%	0.677	70%	0.703	S	S	*	*			trans	72.3	147.7	159.4	-43.2	143.4	0	0	0	110.2
415	T	26.4	Very low	26.8	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.663	69%	0.693	S	S	*	*			cis	-157.3	120.9	41.7	-46.5	0	0	0	0	114.4
416	K	28.1	Very low	26.9	Very low	167 Å²	167	125.6 Å²	125.6	73%	0.726	68%	0.682	S	S	*	*			trans	57.7	130.7	141.5	-68	169.6	-162.2	166.2	0	118.9
417	N	28.5	Very low	26.4	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	68%	0.676	S	S	*	*				78.2	150.9	62.9	-69.8	17	0	0	0	112.6
418	N	29.5	Very low	26.8	Very low	105 Å²	105	131.1 Å²	131.1	56%	0.561	68%	0.678	S	S	*	*			cis	-161	148.6	23.6	-136.2	4	0	0	0	115.1
419	Q	29.7	Very low	27	Very low	154 Å²	154	127.8 Å²	127.8	72%	0.72	66%	0.664	S	S	*	*			trans	56.8	162.9	138.7	-73.4	163	5.8	0	0	121
420	T	26	Very low	27.2	Very low	126 Å²	126	125.8 Å²	125.8	77%	0.773	66%	0.661	S	S	*	*			cis	-115.4	155.5	6.1	44.8	0	0	0	0	111.8
421	K	29.2	Very low	27.2	Very low	138 Å²	138	127.5 Å²	127.5	60%	0.6	66%	0.663	S	S	*	*			cis	79.8	112.1	38.2	-141.8	-159.2	-172	-153.1	0	112.5	E423	K421-E423 WeakPolarHBondContact CE-OE1 3.42Å; K421-E423 IonicContact NZ-OE1 2.58Å; K421-E423 PolarHBondContact NZ-OE1 3.01Å
422	L	24.9	Very low	27.2	Very low	145 Å²	145	127.1 Å²	127.1	76%	0.759	66%	0.661	S	S	*	*				-159.4	158.3	82.6	-103.6	68.1	0	0	0	111.1
423	E	24.7	Very low	27.3	Very low	121 Å²	121	127 Å²	127	57%	0.565	67%	0.665	S	S	*	*			cis	-154.7	158.1	-25.9	-130.2	173.6	-154.1	0	0	113.9	K421	K421-E423 WeakPolarHBondContact CE-OE1 3.42Å; K421-E423 IonicContact NZ-OE1 2.58Å; K421-E423 PolarHBondContact NZ-OE1 3.01Å
424	T	29.6	Very low	27.2	Very low	100 Å²	100	125.1 Å²	125.1	61%	0.613	66%	0.663	S	S	*	*			trans	-31.6	148.9	174.7	50.5	0	0	0	0	119.2
425	S	29	Very low	27	Very low	81 Å²	81	125.9 Å²	125.9	57%	0.566	67%	0.669	S	S	*	*			cis	81.8	140.6	29.2	86.9	0	0	0	0	117.6
426	N	27.6	Very low	26.9	Very low	118 Å²	118	128 Å²	128	63%	0.631	67%	0.674	S	S	*	*			trans	-171.7	124	132.3	-88.6	-18.2	0	0	0	108.6
427	N	27.9	Very low	26.9	Very low	119 Å²	119	130.1 Å²	130.1	64%	0.636	68%	0.679	S	S	*	*				71.9	121.6	53.5	-75	-9.3	0	0	0	113.3
428	R	30	Very low	27.2	Very low	202 Å²	202	128.9 Å²	128.9	76%	0.762	68%	0.679	S	S	*	*				82.4	144.4	57.9	-71.9	-176.5	80.9	-178.3	-0.8	110.5
429	D	28.3	Very low	27	Very low	90 Å²	90	132.8 Å²	132.8	48%	0.481	69%	0.691	S	S	.	*			cis	-166.7	177.8	5.2	-124.1	12.6	0	0	0	112.7
430	N	27.5	Very low	26.7	Very low	130 Å²	130	132.4 Å²	132.4	70%	0.695	69%	0.693	S	S	*	*			trans	70.6	164.1	150.1	-65.2	-17	0	0	0	118.5
431	N	25.4	Very low	26.7	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	69%	0.687	S	S	*	*			cis	-151.5	173.9	5	-140	2.2	0	0	0	114.8
432	T	24.9	Very low	26.5	Very low	108 Å²	108	132.3 Å²	132.3	66%	0.663	69%	0.693	S	S	*	*			trans	12.5	154.9	145.1	53.8	0	0	0	0	122.3
433	V	24.1	Very low	26.4	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	69%	0.69	S	S	*	*			cis	-170.6	174.4	2	126	0	0	0	0	111.4
434	S	23.7	Very low	26.3	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	70%	0.703	S	S	*	*			trans	63.4	116.8	156.5	61.3	0	0	0	0	124.2
435	N	22.4	Very low	26.1	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	71%	0.713	S	S	*	*				47.6	131.9	120.2	-91.9	4.9	0	0	0	125.3
436	I	24.6	Very low	25.9	Very low	151 Å²	151	139.1 Å²	139.1	77%	0.774	72%	0.722	S	S	*	*			trans	92.6	147.7	141.6	-63.7	164.2	0	0	0	119.6
437	Y	26.9	Very low	25.6	Very low	213 Å²	213	138 Å²	138	84%	0.835	72%	0.724	S	S	*	*			trans	-71.1	155.2	-163.4	-73.2	-91.4	0	0	0	118.3
438	P	34.4	Very low	25.5	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	73%	0.732	S	S	*	*				-119.1	159	106.5	-4.5	25.9	0	0	0	113.6
439	K	25.6	Very low	25.1	Very low	187 Å²	187	133.2 Å²	133.2	81%	0.813	73%	0.731	S	S	*	*				60.5	147.7	72.1	-66.7	-173.1	167.9	179.8	0	114.4
440	L	23.8	Very low	25.7	Very low	146 Å²	146	134.4 Å²	134.4	76%	0.764	74%	0.743	S	S	*	*			cis	-162	-172.1	-7.6	-111.6	176.4	0	0	0	107
441	S	25.9	Very low	25.6	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	75%	0.749	S	S	*	*			cis	-163	152.4	-3	30.4	0	0	0	0	110.3
442	K	26.3	Very low	25.6	Very low	170 Å²	170	137.9 Å²	137.9	74%	0.739	76%	0.757	S	S	*	*			trans	156.1	138.8	141.4	-88.9	177.8	171.1	-101.6	0	109.5
443	E	21.8	Very low	25.7	Very low	147 Å²	147	138 Å²	138	69%	0.687	76%	0.762	S	S	*	*			cis	-152.4	167.7	1.1	-139.5	137.2	-150.3	0	0	110.7
444	N	23.2	Very low	25.8	Very low	156 Å²	156	135.1 Å²	135.1	83%	0.834	76%	0.757	S	S	*	*			trans	-119.8	-169.8	179.2	-93.3	-6.6	0	0	0	110.2
445	V	23.9	Very low	26	Very low	136 Å²	136	140 Å²	140	82%	0.824	77%	0.771	S	S	*	*			trans	95.9	135.6	171.9	177.6	0	0	0	0	114.4
446	I	24.9	Very low	26.2	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	76%	0.762	S	S	*	*			cis	-162	-166.3	-25.1	-154.9	162.3	0	0	0	109.6
447	S	22.1	Very low	26.2	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	76%	0.762	S	S	*	*			trans	-64.6	157.3	171.1	53.8	0	0	0	0	113.8
448	S	25.1	Very low	26.1	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	75%	0.754	S	S	*	*				-166.6	166.6	73.3	55.5	0	0	0	0	115.5
449	S	22.3	Very low	25.6	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	76%	0.755	S	S	*	*			trans	-84.4	-178.9	167.8	50.9	0	0	0	0	112.4
450	P	40.4	Very low	25.5	Very low	114 Å²	114	129.1 Å²	129.1	74%	0.74	75%	0.753	S	S	*	*			cis	-103	-143.4	-2.3	19.6	5.2	0	0	0	111.7
451	E	26.4	Very low	25.6	Very low	172 Å²	172	126.4 Å²	126.4	80%	0.804	75%	0.751	S	S	*	*			cis	-141.9	170.2	8.4	-63.7	167.4	123.5	0	0	107.7
452	D	25.5	Very low	25.5	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	76%	0.763	S	S	*	*			cis	68.6	122	35.6	-140.4	53.8	0	0	0	115.2
453	S	27.1	Very low	25.4	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	76%	0.762	S	S	*	*			cis	-148.7	-177.2	-8.2	65.3	0	0	0	0	108.5
454	G	25.4	Very low	25.6	Very low	63 Å²	63	129.6 Å²	129.6	65%	0.649	77%	0.766	S	S	*	*			cis	166.7	140.7	-4.1	0	0	0	0	0	111.5
455	M	28.6	Very low	25.6	Very low	201 Å²	201	127.8 Å²	127.8	99%	0.99	77%	0.765	S	S	*	*			trans	63.4	150.9	-179.5	-56.3	-64.4	-175.7	0	0	117
456	G	25.3	Very low	25.7	Very low	58 Å²	58	125.5 Å²	125.5	60%	0.598	76%	0.76	S	S	*	*			cis	163.4	139.7	-11.9	0	0	0	0	0	113.3
457	N	25.8	Very low	25.7	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	76%	0.761	S	S	*	*			trans	63	157.7	161.9	-67.8	48.6	0	0	0	117.2
458	D	23.9	Very low	25.8	Very low	125 Å²	125	128.9 Å²	128.9	67%	0.668	77%	0.767	S	S	*	*			cis	-158.1	-177	-7.1	-133.1	-44.8	0	0	0	111.9
459	I	24.7	Very low	25.8	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	76%	0.763	S	S	*	*			trans	69.9	105.7	153.8	-65.7	154.6	0	0	0	119.9
460	S	24	Very low	26.6	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	76%	0.756	S	S	*	*				31.3	141.5	124.4	-42.1	0	0	0	0	125
461	A	24.7	Very low	26	Very low	89 Å²	89	133 Å²	133	74%	0.736	76%	0.76	S	S	*	*				113.5	137.2	124.6	0	0	0	0	0	120.1
462	E	24.8	Very low	26.1	Very low	191 Å²	191	133.6 Å²	133.6	89%	0.893	76%	0.755	S	S	*	*			trans	61.3	167.2	153.3	-44.9	-123	132.1	0	0	118.2
463	D	24.5	Very low	26.1	Very low	134 Å²	134	134.9 Å²	134.9	72%	0.717	75%	0.748	S	S	*	*				-158.7	-170.4	-51.5	-170.1	18.5	0	0	0	108.1
464	I	25.6	Very low	26.2	Very low	151 Å²	151	137.4 Å²	137.4	77%	0.774	75%	0.747	S	S	*	*			trans	84.2	169.8	159.3	-61.4	161.4	0	0	0	116.6
465	C	23.4	Very low	26.4	Very low	119 Å²	119	141.9 Å²	141.9	80%	0.804	76%	0.756	S	S	*	*			trans	-133.3	-165.4	-142.1	-60.1	0	0	0	0	115.3
466	A	25.7	Very low	26.4	Very low	87 Å²	87	138.4 Å²	138.4	72%	0.719	75%	0.746	S	S	*	*			trans	85.1	121.9	174.5	0	0	0	0	0	115.2
467	E	25.1	Very low	26.7	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	75%	0.75	S	S	*	*				61.7	129.5	75.3	-60	-73.4	-168.1	0	0	111.4
468	D	23.9	Very low	27	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	75%	0.746	S	S	*	*				-158.3	178.6	53	-148.8	-33.2	0	0	0	113.8
469	I	24.5	Very low	28	Very low	143 Å²	143	141.8 Å²	141.8	73%	0.733	75%	0.752	S	S	*	*			trans	-124.9	135.3	-178.2	-71.4	166.5	0	0	0	109.6
470	P	39.2	Very low	28.1	Very low	91 Å²	91	142.3 Å²	142.3	59%	0.591	76%	0.756	S	S	*	*				-161.9	155.6	123.3	35	-13.6	0	0	0	121.5
471	K	28.4	Very low	28.4	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	75%	0.752	S	S	*	*			trans	77.1	154.8	142.5	-69.7	152.3	-155.6	156.9	0	119.7
472	R	27.5	Very low	28.7	Very low	183 Å²	183	145.9 Å²	145.9	69%	0.691	75%	0.747	S	S	*	*			cis	178.7	133.7	-20.5	176.9	-174	-157	-159.6	11.1	113.7
473	R	27.1	Very low	29	Very low	185 Å²	185	144.3 Å²	144.3	70%	0.698	74%	0.739	S	S	*	*			trans	67.5	164.4	159.4	-73.6	167	172.5	-165	-0.4	117.4
474	Q	29	Very low	29.3	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	74%	0.737	S	S	*	*			cis	-152.6	-175.3	-6.4	-126.7	160.1	-47.8	0	0	112.9
475	N	28.1	Very low	29.3	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	73%	0.733	S	S	*	*			trans	-103.4	171.9	-173.2	-61.3	-21.4	0	0	0	115.2
476	V	29.4	Very low	29.5	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	73%	0.734	S	S	*	*				168.5	126.5	119.6	154.7	0	0	0	0	116.1
477	D	32.3	Very low	29.6	Very low	126 Å²	126	147.8 Å²	147.8	67%	0.674	74%	0.739	S	S	*	*			trans	51.5	166.9	143.8	-64.4	7.9	0	0	0	125.8
478	Q	30.7	Very low	29.7	Very low	150 Å²	150	143.6 Å²	143.6	70%	0.701	73%	0.733	S	S	*	*			cis	-151.6	-48	19.7	-163.7	80.1	102.2	0	0	123.4
479	P	45.1	Very low	29.9	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	73%	0.731	S	S	*	*			trans	-91.7	-175	-134.7	34.3	-39.2	0	0	0	122.3
480	L	28.3	Very low	29.9	Very low	153 Å²	153	141.5 Å²	141.5	80%	0.801	74%	0.737	S	S	*	*			trans	-155.5	156.2	-154.5	-81.3	158.1	0	0	0	118.8
481	K	29.8	Very low	29.3	Very low	158 Å²	158	141.5 Å²	141.5	69%	0.687	75%	0.745	S	S	*	*			trans	71.3	157.7	142.6	-75.4	173.2	144.2	-70.8	0	123.1
482	D	30.2	Very low	29.3	Very low	116 Å²	116	142.8 Å²	142.8	62%	0.62	75%	0.75	S	S	*	*			cis	-131.8	-121.3	-11.5	-91.4	-49.2	0	0	0	111.2
483	Q	31.6	Very low	29.1	Very low	158 Å²	158	139.6 Å²	139.6	74%	0.738	75%	0.751	S	S	*	*			cis	-162.3	157.1	-14.4	-155.7	159.5	-22.3	0	0	115.1
484	E	29.7	Very low	29	Very low	141 Å²	141	136.4 Å²	136.4	66%	0.659	75%	0.748	S	S	*	*			trans	29.9	127.2	157.1	-74.3	179.6	-119.1	0	0	131.8
485	N	26.2	Very low	28.9	Very low	129 Å²	129	138 Å²	138	69%	0.69	75%	0.753	S	S	*	*				80.6	137.1	122.3	-77.2	-30.4	0	0	0	129.4
486	L	27.4	Very low	28.8	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	75%	0.745	S	S	*	*			trans	74.5	157.7	152.6	-67.2	166.6	0	0	0	121
487	V	27.5	Very low	29.1	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	75%	0.747	S	S	*	*			cis	-148.2	-116.7	-21.1	62.5	0	0	0	0	116.5
488	A	28.6	Very low	28.7	Very low	80 Å²	80	132.7 Å²	132.7	66%	0.661	74%	0.742	S	S	*	*			trans	-161.7	179.3	-157.2	0	0	0	0	0	119.4
489	S	28.3	Very low	28.5	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	75%	0.746	S	S	*	*			trans	77.8	141.3	169.7	73.4	0	0	0	0	118.9
490	T	24	Very low	27.7	Very low	139 Å²	139	135.7 Å²	135.7	85%	0.853	75%	0.751	S	S	*	*			cis	100	137.9	7.5	66.3	0	0	0	0	117.7
491	A	27.1	Very low	27.7	Very low	92 Å²	92	132.3 Å²	132.3	76%	0.76	74%	0.736	S	S	*	*			cis	-177.5	158.2	-17.8	0	0	0	0	0	110.4
492	K	27.4	Very low	27.5	Very low	216 Å²	216	132.7 Å²	132.7	94%	0.939	74%	0.735	S	S	*	*			trans	-166	176.4	173.3	-115.9	168.6	-173.7	-176.5	0	117.7
493	T	23.1	Very low	27.4	Very low	116 Å²	116	136 Å²	136	71%	0.712	74%	0.739	S	S	*	*			trans	-99.7	-169.4	-175.5	51.4	0	0	0	0	112.6
494	D	25.1	Very low	26.9	Very low	117 Å²	117	132.3 Å²	132.3	63%	0.626	73%	0.73	S	S	*	*			cis	-170.2	170.7	27.1	-126.7	-38.8	0	0	0	115.8
495	F	26.8	Very low	26.8	Very low	198 Å²	198	135.1 Å²	135.1	87%	0.868	73%	0.734	S	S	*	*			trans	55.2	163.3	159.2	-69.6	-65.2	0	0	0	125.4
496	G	26.8	Very low	26.9	Very low	64 Å²	64	136 Å²	136	66%	0.66	74%	0.738	S	S	*	*			trans	174.3	172.9	174.5	0	0	0	0	0	111
497	P	35.2	Very low	26.7	Very low	128 Å²	128	136.6 Å²	136.6	83%	0.831	73%	0.729	S	S	*	*			trans	-142.2	173	152.7	39.8	-24.5	0	0	0	116.7
498	D	24.6	Very low	26.8	Very low	106 Å²	106	138.8 Å²	138.8	57%	0.567	73%	0.731	S	S	*	*			trans	-45.1	136.7	-167.3	-57.4	-81.2	0	0	0	120.6	T501	D498-T501 WeakPolarHBondContact OD1-CG2 3.21Å; D498-T501 PolarHBondContact OD1-OG1 3.5Å
499	E	26	Very low	26.6	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	74%	0.743	S	S	*	*	S	Bend		-144.8	172.1	92.1	-102.5	-63.3	176.1	0	0	109.6
500	D	28.2	Very low	26.5	Very low	167 Å²	167	145.9 Å²	145.9	89%	0.893	74%	0.738	S	S	*	*	S	Bend	trans	62.1	40.7	-175.9	-105.9	-6.2	0	0	0	114.6
501	T	28.6	Very low	26.7	Very low	81 Å²	81	145.2 Å²	145.2	50%	0.497	73%	0.734	S	S	.	*			trans	-93	170.1	160.9	68	0	0	0	0	109.7	D498	D498-T501 WeakPolarHBondContact OD1-CG2 3.21Å; D498-T501 PolarHBondContact OD1-OG1 3.5Å
502	Y	26.3	Very low	26.6	Very low	167 Å²	167	147.9 Å²	147.9	66%	0.655	74%	0.735	S	S	*	*			cis	-169.1	156.7	9.9	-129.8	172.2	0	0	0	106.2
503	R	26.1	Very low	26.6	Very low	186 Å²	186	146.8 Å²	146.8	70%	0.702	73%	0.733	S	S	*	*			cis	-142.8	149.4	1.8	-79.7	-177.3	171.2	141.9	-3.3	106.5
504	S	22.8	Very low	26.9	Very low	79 Å²	79	145 Å²	145	55%	0.552	74%	0.738	S	S	*	*			cis	72.7	101.9	38.7	94.3	0	0	0	0	116.3
505	R	27.7	Very low	26.8	Very low	200 Å²	200	144.1 Å²	144.1	76%	0.755	75%	0.747	S	S	*	*			trans	54.5	121.6	145.9	-51.7	170.4	-173	165.1	4.3	119.9	R507	R505-R507 HydrophobicContact CB-CG 4.46Å
506	L	26.5	Very low	26.8	Very low	147 Å²	147	145.7 Å²	145.7	77%	0.77	75%	0.749	S	S	*	*				-143.3	94.6	124.3	-148.9	73.2	0	0	0	109.4
507	R	24.4	Very low	27	Very low	172 Å²	172	149.8 Å²	149.8	65%	0.649	75%	0.754	S	S	*	*				52.8	105.4	81.7	-77.6	-165.9	172	-155.9	0.2	115.5	R505	R505-R507 HydrophobicContact CB-CG 4.46Å
508	Q	28.5	Very low	26.8	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	75%	0.753	S	S	*	*				28.9	107.6	129.9	-66.8	174.6	-45.4	0	0	118.4
509	R	25.8	Very low	26.8	Very low	242 Å²	242	155.8 Å²	155.8	91%	0.913	76%	0.762	S	S	*	*			trans	-136.8	151.3	136.3	-80.1	-175.7	179.8	164.4	-0.2	107.7
510	S	26.6	Very low	27.1	Very low	94 Å²	94	155.9 Å²	155.9	66%	0.657	76%	0.762	S	S	*	*			cis	177.7	136.4	-34.6	43.4	0	0	0	0	106.1
511	V	28.4	Very low	27.1	Very low	125 Å²	125	157.5 Å²	157.5	76%	0.758	76%	0.762	S	S	*	*			trans	48.5	92.2	158.9	-173.7	0	0	0	0	116.4
512	N	23.2	Very low	26.9	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	77%	0.771	S	S	*	*				-174.9	152.4	117.8	-96.6	-32.3	0	0	0	113.3
513	E	28.5	Very low	27	Very low	193 Å²	193	156.6 Å²	156.6	90%	0.902	78%	0.778	S	S	*	*			trans	57.9	142.1	162.7	-63	-174.9	165	0	0	121.8
514	G	28.8	Very low	27.2	Very low	79 Å²	79	157 Å²	157	81%	0.814	79%	0.788	S	S	*	*			trans	120	-4.1	135.7	0	0	0	0	0	120.9	Y516	G514-Y516 PolarHBondContact O-N 3.48Å
515	A	23	Very low	27.8	Very low	98 Å²	98	162.7 Å²	162.7	81%	0.81	80%	0.802	S	S	*	*			trans	-73.7	126.7	-177.7	0	0	0	0	0	113.5
516	Y	27.1	Very low	28	Very low	232 Å²	232	163 Å²	163	91%	0.91	81%	0.81	S	S	*	*			trans	-149.2	90.3	167.8	-125.4	-79.9	0	0	0	114.2	G514	G514-Y516 PolarHBondContact O-N 3.48Å
517	I	31.2	Very low	28.1	Very low	150 Å²	150	163.7 Å²	163.7	77%	0.769	81%	0.813	S	S	*	*			trans	-127.6	120.4	170	-70.2	-179.5	0	0	0	110.2
518	R	29.9	Very low	28.7	Very low	214 Å²	214	164 Å²	164	81%	0.808	82%	0.822	S	S	*	*			trans	50.2	105	151.4	-172.7	-155.1	-53.7	176.1	4.8	117.8
519	L	26.5	Very low	29	Very low	145 Å²	145	164.7 Å²	164.7	76%	0.759	82%	0.822	S	S	*	*				-167.8	144.5	128.1	-108.4	165.6	0	0	0	112.6
520	H	31	Very low	29.3	Very low	173 Å²	173	165 Å²	165	80%	0.801	82%	0.823	S	S	*	*				178.1	96.7	125.5	-100.5	-67.7	0	0	0	110.9
521	K	28	Very low	29.6	Very low	201 Å²	201	170.2 Å²	170.2	87%	0.874	83%	0.834	S	S	*	*	S	Bend	trans	-149.3	113.7	155.3	-174.5	-163	174.8	-161.1	0	107.8
522	G	24.3	Very low	30.2	Very low	68 Å²	68	169.2 Å²	169.2	70%	0.701	84%	0.839	S	S	*	*			trans	96.5	88.8	173.1	0	0	0	0	0	115.1
523	M	29	Very low	30.9	Very low	162 Å²	162	169.5 Å²	169.5	80%	0.798	84%	0.839	S	S	*	*			trans	-140.9	60.6	155.9	-78	-167.4	73.9	0	0	109.1
524	E	30.1	Very low	31.5	Very low	193 Å²	193	166.2 Å²	166.2	90%	0.902	83%	0.834	S	S	*	*			trans	-117.7	11.1	177.7	-74.7	-176	139.4	0	0	113
525	K	35.5	Very low	32.2	Very low	199 Å²	199	168.1 Å²	168.1	87%	0.865	82%	0.82	S	S	*	*	S	Bend	trans	-134.1	136.7	171.5	-67.3	-168.6	176.2	-172	0	109.9
526	K	31	Very low	33.8	Very low	208 Å²	208	167 Å²	167	90%	0.904	81%	0.806	S	S	*	*	S	Bend	trans	67.5	65.5	-178.9	-57.5	-171.9	178.3	-175.2	0	116.8
527	L	30.5	Very low	34.9	Very low	161 Å²	161	159.2 Å²	159.2	84%	0.843	79%	0.789	S	S	*	*			trans	-146.8	45	138.3	-122.9	175.5	0	0	0	112.8
528	Q	36.5	Very low	36.1	Very low	178 Å²	178	157.5 Å²	157.5	83%	0.832	79%	0.786	S	S	*	*			trans	-80.7	149.7	154.7	-72.6	-178	-13.8	0	0	108.8
529	K	35.1	Very low	37	Very low	196 Å²	196	152.5 Å²	152.5	85%	0.852	77%	0.772	S	S	*	*			trans	72.4	82.1	176.8	-52.2	-177.9	-179.2	-177.1	0	117
530	R	31.7	Very low	38.1	Very low	249 Å²	249	150.5 Å²	150.5	94%	0.94	76%	0.759	S	S	*	*				-150.1	170.5	113	-109.7	175.9	-176	-162	-0.3	110.6
531	K	32.8	Very low	39.4	Very low	203 Å²	203	146.5 Å²	146.5	88%	0.883	75%	0.746	S	S	*	*			trans	-78	163.8	-152.5	-66.3	-177.9	178	179.9	0	114.2
532	A	41.5	Very low	40.6	Very low	103 Å²	103	139.4 Å²	139.4	85%	0.851	73%	0.725	S	S	*	*			trans	-76.4	148.2	-177.7	0	0	0	0	0	113.3
533	I	36.4	Very low	41.8	Very low	155 Å²	155	141 Å²	141	80%	0.795	71%	0.714	S	S	*	*			trans	-123.3	143.3	170	-69.4	177.7	0	0	0	105.7
534	P	42.3	Very low	42.8	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68	149.1	-155.8	23.4	-34.5	0	0	0	115.2
535	K	42.1	Very low	43.7	Very low	119 Å²	119	137.1 Å²	137.1	52%	0.517	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-76.4	131.2	179.7	-64.6	174.8	-175.3	167.8	0	111.1	Q540	K535-Q540 PolarHBondContact O-NE2 3.42Å
536	S	58.3	Low	44.5	Very low	75 Å²	75	132.4 Å²	132.4	52%	0.524	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-46.4	142	173.5	170.6	0	0	0	0	112.9	V538 Q539 Q540	S536-V538 PolarHBondContact O-N 3.42Å; S536-V538 VanDerWaalsContact O-N 3.13Å; S536-Q539 WeakPolarHBondContact O-CB 3.33Å; S536-Q539 PolarHBondContact O-N 2.73Å; S536-Q540 PolarHBondContact O-N 3.36Å
537	A	50.2	Low	45	Very low	68 Å²	68	129.2 Å²	129.2	56%	0.562	67%	0.671	S	S	*	*	H	α-helix	trans	-51.5	-37	-178.8	0	0	0	0	0	113.3	Q539 Q540 V541	A537-Q539 PolarHBondContact O-N 3.2Å; A537-Q540 WeakPolarHBondContact O-CB 3.29Å; A537-Q540 PolarHBondContact O-N 3.27Å; A537-V541 PolarHBondContact O-N 3Å
538	V	54.7	Low	45.3	Very low	115 Å²	115	132.4 Å²	132.4	70%	0.697	67%	0.672	S	S	*	*	H	α-helix	trans	-57.4	-39	177	-176	0	0	0	0	111.6	S536 A542	S536-V538 PolarHBondContact O-N 3.42Å; S536-V538 VanDerWaalsContact O-N 3.13Å; V538-A542 PolarHBondContact O-N 3.47Å
539	Q	50.6	Low	45.6	Very low	109 Å²	109	127.2 Å²	127.2	51%	0.509	67%	0.666	S	S	.	*	H	α-helix	trans	-75.5	-26.5	179.2	-159.4	171.2	24.7	0	0	112.2	S536 A537 Q543	S536-Q539 WeakPolarHBondContact O-CB 3.33Å; S536-Q539 PolarHBondContact O-N 2.73Å; A537-Q539 PolarHBondContact O-N 3.2Å; Q539-Q543 WeakPolarHBondContact O-CG 3.32Å; Q539-Q543 PolarHBondContact O-N 2.92Å
540	Q	49.3	Very low	45.9	Very low	103 Å²	103	126.1 Å²	126.1	48%	0.481	66%	0.662	S	S	.	*	H	α-helix	trans	-73.3	-41	174.5	-54.7	-173	25.3	0	0	111.6	K535 S536 A537 Q543 K544	K535-Q540 PolarHBondContact O-NE2 3.42Å; S536-Q540 PolarHBondContact O-N 3.36Å; A537-Q540 WeakPolarHBondContact O-CB 3.29Å; A537-Q540 PolarHBondContact O-N 3.27Å; Q540-Q543 PolarHBondContact O-N 3.23Å; Q540-K544 PolarHBondContact O-N 3.25Å
541	V	57.2	Low	46.1	Very low	89 Å²	89	123.7 Å²	123.7	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-60.8	-45.3	173.9	174.5	0	0	0	0	111	A537 Q543 K544 L545	A537-V541 PolarHBondContact O-N 3Å; V541-Q543 VanDerWaalsContact C-N 3.31Å; V541-Q543 PolarHBondContact O-N 3.5Å; V541-K544 PolarHBondContact O-N 3.35Å; V541-L545 HydrophobicContact CG1-CD1 4.36Å; V541-L545 PolarHBondContact O-N 2.96Å; V541-L545 VanDerWaalsContact O-N 3.13Å
542	A	53.1	Low	46.1	Very low	51 Å²	51	123.3 Å²	123.3	42%	0.421	66%	0.661	S	S	.	*	H	α-helix	trans	-58.7	-39.5	176.2	0	0	0	0	0	112.8	V538 V546	V538-A542 PolarHBondContact O-N 3.47Å; A542-V546 WeakPolarHBondContact O-CG2 3.27Å; A542-V546 PolarHBondContact O-N 3.17Å
543	Q	50.3	Low	45.6	Very low	103 Å²	103	128.3 Å²	128.3	48%	0.481	66%	0.664	S	S	.	*	H	α-helix	trans	-72.2	-37	177.5	-70.2	-166	-55.7	0	0	113.1	Q539 Q540 V541 L545 V546 Q547	Q539-Q543 WeakPolarHBondContact O-CG 3.32Å; Q539-Q543 PolarHBondContact O-N 2.92Å; Q540-Q543 PolarHBondContact O-N 3.23Å; V541-Q543 VanDerWaalsContact C-N 3.31Å; V541-Q543 PolarHBondContact O-N 3.5Å; Q543-L545 VanDerWaalsContact C-N 3.35Å; Q543-L545 PolarHBondContact O-N 2.95Å; Q543-V546 PolarHBondContact O-N 2.98Å; Q543-Q547 WeakPolarHBondContact O-CG 3.19Å; Q543-Q547 PolarHBondContact O-N 3.47Å
544	K	49.8	Very low	45.8	Very low	151 Å²	151	128.8 Å²	128.8	66%	0.657	66%	0.663	S	S	*	*	H	α-helix	trans	-62	-39.7	174.6	-75.5	-174.8	177.1	-178.5	0	112.3	Q540 V541 Q547 R548	Q540-K544 PolarHBondContact O-N 3.25Å; V541-K544 PolarHBondContact O-N 3.35Å; K544-Q547 PolarHBondContact O-N 3.45Å; K544-R548 PolarHBondContact O-N 3.26Å; K544-R548 VanDerWaalsContact O-N 3.11Å
545	L	48.8	Very low	45.4	Very low	121 Å²	121	129 Å²	129	63%	0.634	66%	0.664	S	S	*	*	H	α-helix	trans	-63.1	-43.5	174.6	-78.8	163.9	0	0	0	112.5	V541 Q543 Q547 R548	V541-L545 HydrophobicContact CG1-CD1 4.36Å; V541-L545 PolarHBondContact O-N 2.96Å; V541-L545 VanDerWaalsContact O-N 3.13Å; Q543-L545 VanDerWaalsContact C-N 3.35Å; Q543-L545 PolarHBondContact O-N 2.95Å; L545-Q547 VanDerWaalsContact C-N 3.33Å; L545-Q547 PolarHBondContact O-N 3Å; L545-R548 PolarHBondContact O-N 2.91Å
546	V	52.3	Low	45.4	Very low	101 Å²	101	131.9 Å²	131.9	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-68.7	-29.7	178.7	172.9	0	0	0	0	112.6	A542 Q543	A542-V546 WeakPolarHBondContact O-CG2 3.27Å; A542-V546 PolarHBondContact O-N 3.17Å; Q543-V546 PolarHBondContact O-N 2.98Å
547	Q	40.6	Very low	44	Very low	141 Å²	141	139.1 Å²	139.1	66%	0.659	69%	0.693	S	S	*	*	H	α-helix	trans	-74.4	-36.8	174.2	-74.5	179.9	-14.1	0	0	112.8	Q543 K544 L545 G549 K550	Q543-Q547 WeakPolarHBondContact O-CG 3.19Å; Q543-Q547 PolarHBondContact O-N 3.47Å; K544-Q547 PolarHBondContact O-N 3.45Å; L545-Q547 VanDerWaalsContact C-N 3.33Å; L545-Q547 PolarHBondContact O-N 3Å; Q547-G549 PolarHBondContact O-N 3.23Å; Q547-K550 PolarHBondContact O-N 3.48Å; Q547-K550 VanDerWaalsContact O-N 3.12Å
548	R	38.7	Very low	42.9	Very low	227 Å²	227	143.1 Å²	143.1	86%	0.857	70%	0.704	S	S	*	*	H	α-helix	trans	-62.6	-29.2	179.8	-141.4	173.1	-170.3	174	2.3	112.6	K544 L545 K550	K544-R548 PolarHBondContact O-N 3.26Å; K544-R548 VanDerWaalsContact O-N 3.11Å; L545-R548 PolarHBondContact O-N 2.91Å; R548-K550 VanDerWaalsContact C-N 3.32Å; R548-K550 PolarHBondContact O-N 3.46Å
549	G	41.3	Very low	42.3	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	6	175.3	0	0	0	0	0	116.6	Q547	Q547-G549 PolarHBondContact O-N 3.23Å
550	K	41.6	Very low	41.4	Very low	173 Å²	173	146.9 Å²	146.9	75%	0.752	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	8.4	-175.9	-79.4	-165.9	172.2	-169.5	0	116	Q547 R548	Q547-K550 PolarHBondContact O-N 3.48Å; Q547-K550 VanDerWaalsContact O-N 3.12Å; R548-K550 VanDerWaalsContact C-N 3.32Å; R548-K550 PolarHBondContact O-N 3.46Å
551	K	37.1	Very low	40.9	Very low	198 Å²	198	149.8 Å²	149.8	86%	0.861	74%	0.742	S	S	*	*			trans	-117.8	76.9	174.3	-78.3	-165.7	173.9	-172	0	112.8
552	M	31.2	Very low	39.8	Very low	194 Å²	194	152.7 Å²	152.7	96%	0.956	75%	0.754	S	S	*	*			trans	-152	122.6	149.6	-118.4	178.5	173.7	0	0	108.7
553	K	32.7	Very low	38.9	Very low	208 Å²	208	156.2 Å²	156.2	90%	0.904	77%	0.771	S	S	*	*			trans	-111	125.1	172.6	-92.3	-172.5	171.8	-174.8	0	108
554	Q	39.1	Very low	38.3	Very low	165 Å²	165	159.3 Å²	159.3	77%	0.771	79%	0.785	S	S	*	*			trans	18.5	153.1	152	-64.9	-171.7	-20.3	0	0	121.1
555	P	33.5	Very low	38	Very low	128 Å²	128	159.7 Å²	159.7	83%	0.831	79%	0.789	S	S	*	*				-115.9	166.4	103.7	34.3	-35.9	0	0	0	113.8
556	K	42.5	Very low	38.1	Very low	179 Å²	179	157.8 Å²	157.8	78%	0.778	79%	0.791	S	S	*	*			trans	-83.4	153.4	166.9	-61.2	176.3	178.2	179.1	0	110.1
557	R	30	Very low	38.2	Very low	228 Å²	228	155.4 Å²	155.4	86%	0.86	78%	0.779	S	S	*	*			trans	-170.5	111.8	143.8	-108.7	164.1	-176.1	179.4	2.7	110.6
558	D	26.7	Very low	39.7	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	76%	0.762	S	S	*	*			trans	48.8	159.6	131.8	-43.2	-35.8	0	0	0	121.6
559	A	42.1	Very low	41.1	Very low	99 Å²	99	147.8 Å²	147.8	82%	0.818	75%	0.751	S	S	*	*			trans	-94.1	140.5	-161.9	0	0	0	0	0	114.7
560	K	30.8	Very low	42.7	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	72%	0.717	S	S	*	*			trans	-157.6	172.4	140.7	-119.4	173.2	-177.9	179.5	0	111.1
561	E	39.6	Very low	43.8	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	72%	0.717	S	S	*	*			trans	-80.8	171.4	-163.9	-62.8	169.4	97.7	0	0	115.4
562	N	34	Very low	44.6	Very low	149 Å²	149	135 Å²	135	80%	0.797	70%	0.698	S	S	*	*			trans	77.6	157.8	158.4	-80.7	-47.6	0	0	0	121.2
563	T	33.4	Very low	46.2	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	67%	0.673	S	S	*	*			trans	111.5	143.3	141.6	-16.7	0	0	0	0	119.7
564	E	38.1	Very low	47.7	Very low	168 Å²	168	121.3 Å²	121.3	79%	0.785	66%	0.655	S	S	*	*			trans	79.7	101.5	160.4	-56.1	-150.5	171.7	0	0	121.7	A566	E564-A566 PolarHBondContact O-N 3.18Å
565	E	44	Very low	48.7	Very low	158 Å²	158	118.3 Å²	118.3	74%	0.738	64%	0.642	S	S	*	*			trans	-61.7	120.7	148.4	-69.1	-160.5	131.9	0	0	110.3	S567	E565-S567 PolarHBondContact O-N 3.02Å
566	A	50.7	Low	50.3	Low	81 Å²	81	116 Å²	116	67%	0.669	63%	0.625	S	S	*	*			trans	-62.5	91.9	-177.8	0	0	0	0	0	113.5	E564	E564-A566 PolarHBondContact O-N 3.18Å
567	S	55.1	Low	51.8	Low	51 Å²	51	109.2 Å²	109.2	36%	0.357	60%	0.596	S	S	.	*			trans	-94	118.6	-172.2	74.2	0	0	0	0	112.4	E565 K569 V576	E565-S567 PolarHBondContact O-N 3.02Å; S567-K569 PolarHBondContact O-N 2.73Å; S567-V576 VanDerWaalsContact CB-CG1 3.46Å
568	H	72.1	Confident	53.5	Low	65 Å²	65	105.4 Å²	105.4	30%	0.301	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.2	105.3	-170.7	-56	-70.5	0	0	0	112.2	F577 R580 L583	H568-F577 WeakPolarHBondContact CB-O 3.43Å; H568-F577 PolarHBondContact N-O 3.27Å; H568-F577 PolarHBondContact O-N 3.37Å; H568-R580 PolarHBondContact CD2-N 3.26Å; H568-R580 PolarHBondContact NE2-N 2.88Å; H568-L583 HydrophobicContact CB-CB 4.44Å; H568-L583 HydrophobicContact CB-CD2 3.87Å
569	K	67.6	Low	55.5	Low	143 Å²	143	107.1 Å²	107.1	62%	0.622	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.4	146.8	-177.5	-41.7	-168.4	-179.5	173.3	0	112	S567 M575 V576	S567-K569 PolarHBondContact O-N 2.73Å; K569-M575 CarbonylContact C-O 3.35Å; K569-M575 WeakPolarHBondContact CA-O 3.43Å; K569-V576 HydrophobicContact CB-CG2 4.45Å; K569-V576 HydrophobicContact CD-CG2 4.16Å; K569-V576 HydrophobicContact CG-CG1 4.23Å; K569-V576 HydrophobicContact CG-CG2 3.93Å
570	C	74.2	Confident	56.6	Low	2 Å²	2	111 Å²	111	1%	0.014	58%	0.577	C	S	.	*			trans	-95	118.7	176.1	-171.5	0	0	0	0	112.2	E572 C573 G574 M575 F577 L583 H586	C570-E572 PolarHBondContact O-N 2.88Å; C570-C573 PolarHBondContact O-N 3.11Å; C570-G574 WeakPolarHBondContact O-CA 3.46Å; C570-G574 PolarHBondContact O-N 3.25Å; C570-M575 PolarHBondContact N-O 3.01Å; C570-F577 HydrophobicContact CB-CE2 4.3Å; C570-L583 HydrophobicContact CB-CD1 3.43Å; C570-L583 VanDerWaalsContact CB-CD1 3.43Å; C570-H586 PolarHBondContact SG-CD2 3.22Å; C570-H586 PolarHBondContact SG-NE2 3.21Å; C570-H586 VanDerWaalsContact SG-NE2 3.43Å
571	G	66.1	Low	57.9	Low	74 Å²	74	108.7 Å²	108.7	76%	0.763	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-44.7	178.8	0	0	0	0	0	114.4	C573	G571-C573 VanDerWaalsContact C-N 3.33Å; G571-C573 PolarHBondContact O-N 3.33Å
572	E	53.9	Low	59.4	Low	97 Å²	97	102.8 Å²	102.8	45%	0.453	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.3	-177.1	-59.7	103.7	-76.9	0	0	116.2	C570 K587 H590	C570-E572 PolarHBondContact O-N 2.88Å; E572-K587 WeakPolarHBondContact OE1-CE 3.11Å; E572-K587 IonicContact OE1-NZ 2.82Å; E572-K587 PolarHBondContact OE1-NZ 2.8Å; E572-K587 IonicContact OE2-NZ 3.15Å; E572-H590 IonicContact OE2-CD2 2.74Å; E572-H590 PolarHBondContact OE2-CD2 2.92Å; E572-H590 IonicContact OE2-CG 3.95Å
573	C	64	Low	61.4	Low	63 Å²	63	96.8 Å²	96.8	43%	0.426	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159	16.7	-179.8	72.2	0	0	0	0	116.7	C570 G571 M575 H586	C570-C573 PolarHBondContact O-N 3.11Å; G571-C573 VanDerWaalsContact C-N 3.33Å; G571-C573 PolarHBondContact O-N 3.33Å; C573-M575 PolarHBondContact O-N 3.04Å; C573-H586 PolarHBondContact SG-CE1 3.42Å; C573-H586 PolarHBondContact SG-NE2 3.02Å
574	G	64.8	Low	63.2	Low	51 Å²	51	94.8 Å²	94.8	53%	0.526	49%	0.494	S	S	.	.			trans	70.9	-17.7	177.1	0	0	0	0	0	116.7	C570 V576	C570-G574 WeakPolarHBondContact O-CA 3.46Å; C570-G574 PolarHBondContact O-N 3.25Å; G574-V576 PolarHBondContact O-N 3.48Å
575	M	59.5	Low	64.3	Low	103 Å²	103	91.2 Å²	91.2	51%	0.507	48%	0.478	S	S	.	.			trans	-54.9	129.4	-173.7	-73	-163.5	74.9	0	0	113.1	K569 C570 C573 F577	K569-M575 CarbonylContact C-O 3.35Å; K569-M575 WeakPolarHBondContact CA-O 3.43Å; C570-M575 PolarHBondContact N-O 3.01Å; C573-M575 PolarHBondContact O-N 3.04Å; M575-F577 HydrophobicContact CB-CE2 3.59Å; M575-F577 HydrophobicContact CB-CZ 3.69Å; M575-F577 HydrophobicContact CE-CE1 4.44Å; M575-F577 HydrophobicContact CE-CZ 4.13Å; M575-F577 WeakPolarHBondContact O-CD2 3.48Å; M575-F577 VanDerWaalsContact O-CE2 3.32Å; M575-F577 WeakPolarHBondContact O-CE2 3.43Å; M575-F577 HydrophobicContact SD-CZ 4.28Å
576	V	66.2	Low	65.6	Low	78 Å²	78	84.9 Å²	84.9	47%	0.473	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.7	-175.5	-171.9	0	0	0	0	110.9	S567 K569 G574	S567-V576 VanDerWaalsContact CB-CG1 3.46Å; K569-V576 HydrophobicContact CB-CG2 4.45Å; K569-V576 HydrophobicContact CD-CG2 4.16Å; K569-V576 HydrophobicContact CG-CG1 4.23Å; K569-V576 HydrophobicContact CG-CG2 3.93Å; G574-V576 PolarHBondContact O-N 3.48Å
577	F	74.8	Confident	66.2	Low	37 Å²	37	84.9 Å²	84.9	16%	0.162	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.8	-177.2	-60.1	-81.2	0	0	0	112	H568 C570 M575 R579 A582 L583 H586	H568-F577 WeakPolarHBondContact CB-O 3.43Å; H568-F577 PolarHBondContact N-O 3.27Å; H568-F577 PolarHBondContact O-N 3.37Å; C570-F577 HydrophobicContact CB-CE2 4.3Å; M575-F577 HydrophobicContact CB-CE2 3.59Å; M575-F577 HydrophobicContact CB-CZ 3.69Å; M575-F577 HydrophobicContact CE-CE1 4.44Å; M575-F577 HydrophobicContact CE-CZ 4.13Å; M575-F577 WeakPolarHBondContact O-CD2 3.48Å; M575-F577 VanDerWaalsContact O-CE2 3.32Å; M575-F577 WeakPolarHBondContact O-CE2 3.43Å; M575-F577 HydrophobicContact SD-CZ 4.28Å; F577-R579 PolarHBondContact O-N 2.83Å; F577-A582 HydrophobicContact CB-CB 4.21Å; F577-A582 HydrophobicContact CD1-CB 4.03Å; F577-A582 HydrophobicContact CG-CB 4.35Å; F577-L583 HydrophobicContact CB-CB 4.32Å; F577-L583 HydrophobicContact CD2-CB 3.97Å; F577-L583 HydrophobicContact CD2-CD1 4.02Å; F577-L583 HydrophobicContact CE2-CD1 4.26Å; F577-L583 HydrophobicContact CG-CB 4.38Å; F577-H586 HydrophobicContact CE1-CB 4.32Å; F577-H586 HydrophobicContact CE2-CB 3.93Å; F577-H586 AromaticContact CE2-CD2 3.79Å; F577-H586 AromaticContact CE2-CG 3.64Å; F577-H586 HydrophobicContact CZ-CB 3.68Å; F577-H586 AromaticContact CZ-CG 3.44Å; F577-H586 VanDerWaalsContact CZ-CG 3.44Å; F577-H586 AromaticContact CZ-ND1 3.47Å; F577-H586 WeakPolarHBondContact CZ-ND1 3.48Å
578	Q	65.5	Low	66.7	Low	149 Å²	149	85.7 Å²	85.7	70%	0.696	43%	0.434	S	S	*	.	S	Bend	trans	-60.1	-6	175.8	-69.4	177.3	-34.6	0	0	115.1
579	R	69	Low	66	Low	187 Å²	187	89.1 Å²	89.1	71%	0.706	45%	0.448	S	S	*	.	S	Bend	trans	-146.7	127	-178.3	-60.2	-176.1	-172.2	160.4	7.9	111.9	F577 Y581 A582 L583	F577-R579 PolarHBondContact O-N 2.83Å; R579-Y581 PolarHBondContact O-N 2.95Å; R579-A582 WeakPolarHBondContact O-CB 3.33Å; R579-A582 PolarHBondContact O-N 2.91Å; R579-L583 PolarHBondContact O-N 3.21Å
580	R	65.8	Low	65.7	Low	181 Å²	181	84.6 Å²	84.6	68%	0.683	43%	0.429	S	S	*	.	H	α-helix	trans	-51.7	-33.5	-179.3	-165.2	174.7	-179.4	179.8	1	114.1	H568 L583 I584	H568-R580 PolarHBondContact CD2-N 3.26Å; H568-R580 PolarHBondContact NE2-N 2.88Å; R580-L583 PolarHBondContact O-N 3.44Å; R580-I584 HydrophobicContact CG-CD1 4.31Å; R580-I584 WeakPolarHBondContact O-CG1 3.5Å; R580-I584 PolarHBondContact O-N 2.83Å
581	Y	56.6	Low	64.8	Low	156 Å²	156	91.5 Å²	91.5	61%	0.612	46%	0.461	S	S	*	.	H	α-helix	trans	-65.7	-35	175.2	176	-101.4	0	0	0	113.7	R579 I584 M585	R579-Y581 PolarHBondContact O-N 2.95Å; Y581-I584 PolarHBondContact O-N 2.87Å; Y581-M585 HydrophobicContact CE1-CG 4.16Å; Y581-M585 HydrophobicContact CE2-CE 3.9Å; Y581-M585 HydrophobicContact CE2-CG 4.22Å; Y581-M585 WeakPolarHBondContact O-CB 3.27Å; Y581-M585 PolarHBondContact O-N 3.4Å; Y581-M585 WeakPolarHBondContact OH-CE 3.29Å
582	A	72.9	Confident	64	Low	40 Å²	40	95.4 Å²	95.4	33%	0.331	45%	0.452	S	S	.	.	H	α-helix	trans	-70.4	-39.2	176	0	0	0	0	0	111	F577 R579 M585 H586	F577-A582 HydrophobicContact CB-CB 4.21Å; F577-A582 HydrophobicContact CD1-CB 4.03Å; F577-A582 HydrophobicContact CG-CB 4.35Å; R579-A582 WeakPolarHBondContact O-CB 3.33Å; R579-A582 PolarHBondContact O-N 2.91Å; A582-M585 PolarHBondContact O-N 2.83Å; A582-H586 VanDerWaalsContact O-CB 3.31Å; A582-H586 WeakPolarHBondContact O-CB 3.45Å; A582-H586 PolarHBondContact O-N 3.42Å
583	L	75.2	Confident	64	Low	23 Å²	23	94.1 Å²	94.1	12%	0.12	46%	0.458	C	S	.	.	H	α-helix	trans	-59.9	-44.7	170.7	172	59.6	0	0	0	111.9	H568 C570 F577 R579 R580 H586 K587	H568-L583 HydrophobicContact CB-CB 4.44Å; H568-L583 HydrophobicContact CB-CD2 3.87Å; C570-L583 HydrophobicContact CB-CD1 3.43Å; C570-L583 VanDerWaalsContact CB-CD1 3.43Å; F577-L583 HydrophobicContact CB-CB 4.32Å; F577-L583 HydrophobicContact CD2-CB 3.97Å; F577-L583 HydrophobicContact CD2-CD1 4.02Å; F577-L583 HydrophobicContact CE2-CD1 4.26Å; F577-L583 HydrophobicContact CG-CB 4.38Å; R579-L583 PolarHBondContact O-N 3.21Å; R580-L583 PolarHBondContact O-N 3.44Å; L583-H586 WeakPolarHBondContact O-CB 3.37Å; L583-H586 PolarHBondContact O-N 3.14Å; L583-H586 VanDerWaalsContact O-N 3.13Å; L583-K587 HydrophobicContact CD1-CD 4.43Å; L583-K587 HydrophobicContact CD1-CG 4.34Å; L583-K587 PolarHBondContact O-N 3.44Å
584	I	70.2	Confident	63.6	Low	84 Å²	84	94.2 Å²	94.2	43%	0.431	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.6	-68.5	162.1	0	0	0	111	R580 Y581 H586 K587 L588	R580-I584 HydrophobicContact CG-CD1 4.31Å; R580-I584 WeakPolarHBondContact O-CG1 3.5Å; R580-I584 PolarHBondContact O-N 2.83Å; Y581-I584 PolarHBondContact O-N 2.87Å; I584-H586 PolarHBondContact O-N 2.94Å; I584-K587 PolarHBondContact O-N 3.32Å; I584-L588 HydrophobicContact CG2-CD1 4.05Å; I584-L588 WeakPolarHBondContact O-CD1 3.25Å; I584-L588 WeakPolarHBondContact O-CG 3.19Å; I584-L588 PolarHBondContact O-N 3.37Å
585	M	62.1	Low	63.4	Low	93 Å²	93	97.2 Å²	97.2	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-67.4	-15	175.6	-76.7	-67.5	173.9	0	0	114.2	Y581 A582 L588	Y581-M585 HydrophobicContact CE1-CG 4.16Å; Y581-M585 HydrophobicContact CE2-CE 3.9Å; Y581-M585 HydrophobicContact CE2-CG 4.22Å; Y581-M585 WeakPolarHBondContact O-CB 3.27Å; Y581-M585 PolarHBondContact O-N 3.4Å; Y581-M585 WeakPolarHBondContact OH-CE 3.29Å; A582-M585 PolarHBondContact O-N 2.83Å; M585-L588 HydrophobicContact SD-CD1 3.99Å
586	H	71	Confident	63.7	Low	25 Å²	25	97.1 Å²	97.1	12%	0.116	45%	0.449	C	S	.	.	H	α-helix	trans	-87.8	-42.4	171.6	167.2	92.6	0	0	0	111.6	C570 C573 F577 A582 L583 I584 L588 K589 H590	C570-H586 PolarHBondContact SG-CD2 3.22Å; C570-H586 PolarHBondContact SG-NE2 3.21Å; C570-H586 VanDerWaalsContact SG-NE2 3.43Å; C573-H586 PolarHBondContact SG-CE1 3.42Å; C573-H586 PolarHBondContact SG-NE2 3.02Å; F577-H586 HydrophobicContact CE1-CB 4.32Å; F577-H586 HydrophobicContact CE2-CB 3.93Å; F577-H586 AromaticContact CE2-CD2 3.79Å; F577-H586 AromaticContact CE2-CG 3.64Å; F577-H586 HydrophobicContact CZ-CB 3.68Å; F577-H586 AromaticContact CZ-CG 3.44Å; F577-H586 VanDerWaalsContact CZ-CG 3.44Å; F577-H586 AromaticContact CZ-ND1 3.47Å; F577-H586 WeakPolarHBondContact CZ-ND1 3.48Å; A582-H586 VanDerWaalsContact O-CB 3.31Å; A582-H586 WeakPolarHBondContact O-CB 3.45Å; A582-H586 PolarHBondContact O-N 3.42Å; L583-H586 WeakPolarHBondContact O-CB 3.37Å; L583-H586 PolarHBondContact O-N 3.14Å; L583-H586 VanDerWaalsContact O-N 3.13Å; I584-H586 PolarHBondContact O-N 2.94Å; H586-L588 VanDerWaalsContact C-N 3.32Å; H586-L588 PolarHBondContact O-N 2.69Å; H586-K589 VanDerWaalsContact O-CB 3.3Å; H586-K589 WeakPolarHBondContact O-CB 3.49Å; H586-K589 PolarHBondContact O-N 3.35Å; H586-H590 AromaticContact CD2-NE2 3.61Å; H586-H590 AromaticContact CE1-NE2 3.82Å; H586-H590 AromaticContact NE2-CE1 3.65Å; H586-H590 AromaticContact NE2-NE2 3.03Å; H586-H590 PolarHBondContact NE2-NE2 2.87Å
587	K	63.6	Low	64	Low	80 Å²	80	100.1 Å²	100.1	35%	0.348	46%	0.455	S	S	.	.	H	α-helix	trans	-59	-40.5	173.2	-83.7	177.9	155.6	-73.1	0	112.6	E572 L583 I584 K589 H590	E572-K587 WeakPolarHBondContact OE1-CE 3.11Å; E572-K587 IonicContact OE1-NZ 2.82Å; E572-K587 PolarHBondContact OE1-NZ 2.8Å; E572-K587 IonicContact OE2-NZ 3.15Å; L583-K587 HydrophobicContact CD1-CD 4.43Å; L583-K587 HydrophobicContact CD1-CG 4.34Å; L583-K587 PolarHBondContact O-N 3.44Å; I584-K587 PolarHBondContact O-N 3.32Å; K587-K589 PolarHBondContact O-N 3.04Å; K587-H590 PolarHBondContact O-N 3.37Å
588	L	65.8	Low	63.9	Low	69 Å²	69	98.9 Å²	98.9	36%	0.361	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-3.9	170.8	-77	160.8	0	0	0	114.9	I584 M585 H586 E591	I584-L588 HydrophobicContact CG2-CD1 4.05Å; I584-L588 WeakPolarHBondContact O-CD1 3.25Å; I584-L588 WeakPolarHBondContact O-CG 3.19Å; I584-L588 PolarHBondContact O-N 3.37Å; M585-L588 HydrophobicContact SD-CD1 3.99Å; H586-L588 VanDerWaalsContact C-N 3.32Å; H586-L588 PolarHBondContact O-N 2.69Å; L588-E591 WeakPolarHBondContact CD2-OE2 3.45Å
589	K	57.6	Low	63.9	Low	137 Å²	137	97 Å²	97	60%	0.596	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-15.5	169.6	-63.1	-173.6	172.4	-172	0	114.1	H586 K587 R594	H586-K589 VanDerWaalsContact O-CB 3.3Å; H586-K589 WeakPolarHBondContact O-CB 3.49Å; H586-K589 PolarHBondContact O-N 3.35Å; K587-K589 PolarHBondContact O-N 3.04Å; K589-R594 VanDerWaalsContact O-CZ 3.29Å; K589-R594 PolarHBondContact O-NE 3.3Å; K589-R594 PolarHBondContact O-NH2 3.17Å
590	H	60.5	Low	63.8	Low	48 Å²	48	93 Å²	93	22%	0.222	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-34.5	174.1	-57.7	-58.7	0	0	0	110	E572 H586 K587 R592 R594	E572-H590 IonicContact OE2-CD2 2.74Å; E572-H590 PolarHBondContact OE2-CD2 2.92Å; E572-H590 IonicContact OE2-CG 3.95Å; H586-H590 AromaticContact CD2-NE2 3.61Å; H586-H590 AromaticContact CE1-NE2 3.82Å; H586-H590 AromaticContact NE2-CE1 3.65Å; H586-H590 AromaticContact NE2-NE2 3.03Å; H586-H590 PolarHBondContact NE2-NE2 2.87Å; K587-H590 PolarHBondContact O-N 3.37Å; H590-R592 PolarHBondContact O-N 3.1Å; H590-R594 PolarHBondContact ND1-NH1 3Å; H590-R594 PolarHBondContact ND1-NH2 2.79Å
591	E	55	Low	64.3	Low	146 Å²	146	86.2 Å²	86.2	68%	0.682	42%	0.423	S	S	*	.	S	Bend	trans	-68.9	17.7	175.4	-59.3	172.2	155	0	0	115.2	L588	L588-E591 WeakPolarHBondContact CD2-OE2 3.45Å
592	R	49.8	Very low	64.6	Low	157 Å²	157	89.1 Å²	89.1	59%	0.592	44%	0.439	S	S	*	.	S	Bend	trans	-140.5	131.7	180	-64.4	-175.2	-179.6	-160.8	-6.2	109.6	H590 R594	H590-R592 PolarHBondContact O-N 3.1Å; R592-R594 WeakPolarHBondContact O-CG 3.5Å
593	A	53.7	Low	64.2	Low	70 Å²	70	93.5 Å²	93.5	58%	0.579	45%	0.451	S	S	*	.			trans	-50.8	144.1	-178.9	0	0	0	0	0	112.5
594	R	55.7	Low	64.1	Low	65 Å²	65	96.7 Å²	96.7	25%	0.245	47%	0.465	C	S	.	.			trans	-134.6	73.6	-171.6	-60.4	-173.3	-177.9	159.4	-6.1	110.4	K589 H590 R592 Y596 Q604 F605	K589-R594 VanDerWaalsContact O-CZ 3.29Å; K589-R594 PolarHBondContact O-NE 3.3Å; K589-R594 PolarHBondContact O-NH2 3.17Å; H590-R594 PolarHBondContact ND1-NH1 3Å; H590-R594 PolarHBondContact ND1-NH2 2.79Å; R592-R594 WeakPolarHBondContact O-CG 3.5Å; R594-Y596 PolarHBondContact O-N 3.39Å; R594-Q604 HydrophobicContact CB-CB 3.79Å; R594-Q604 HydrophobicContact CG-CB 4.45Å; R594-F605 CarbonylContact C-O 3.52Å
595	D	60.1	Low	64.3	Low	114 Å²	114	94.9 Å²	94.9	61%	0.61	45%	0.454	S	S	*	.			trans	-73.5	-20.5	-165.3	-39.8	-49.8	0	0	0	111.8	K597	D595-K597 PolarHBondContact O-N 3.2Å
596	Y	67.2	Low	64.6	Low	101 Å²	101	94.5 Å²	94.5	40%	0.396	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	86.7	-177.2	-55.7	-79.1	0	0	0	111.7	R594 F605	R594-Y596 PolarHBondContact O-N 3.39Å; Y596-F605 WeakPolarHBondContact CB-O 3.37Å; Y596-F605 PolarHBondContact N-O 2.83Å; Y596-F605 PolarHBondContact O-N 3.22Å
597	K	71.1	Confident	64.5	Low	141 Å²	141	99.8 Å²	99.8	61%	0.613	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	143.7	175.6	-54	179.1	-175.8	167	0	110.5	D595 Q604 L611	D595-K597 PolarHBondContact O-N 3.2Å; K597-Q604 HydrophobicContact CG-CG 4.13Å; K597-L611 WeakPolarHBondContact O-CD2 3.43Å
598	C	74.4	Confident	64.2	Low	10 Å²	10	98.2 Å²	98.2	7%	0.068	47%	0.47	C	S	.	.			trans	-86.8	127.3	171.2	-174.4	0	0	0	0	110.2	L600 C601 K603 F605 L611 H614	C598-L600 VanDerWaalsContact C-N 3.33Å; C598-C601 WeakPolarHBondContact CB-O 3.42Å; C598-K603 WeakPolarHBondContact CB-O 3.37Å; C598-K603 PolarHBondContact N-O 3.11Å; C598-F605 HydrophobicContact CB-CE2 4.18Å; C598-L611 HydrophobicContact CB-CD1 3.64Å; C598-H614 VanDerWaalsContact SG-CD2 3.51Å; C598-H614 PolarHBondContact SG-NE2 3.37Å
599	P	65.8	Low	64.5	Low	111 Å²	111	97.8 Å²	97.8	72%	0.721	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.5	174.8	24.7	-32.4	0	0	0	112.2	L615	P599-L615 HydrophobicContact CG-CD2 4.47Å
600	L	66.9	Low	65.3	Low	103 Å²	103	93.8 Å²	93.8	54%	0.539	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.5	-173.3	-59.6	177.6	0	0	0	114.6	C598 L615 H618	C598-L600 VanDerWaalsContact C-N 3.33Å; L600-L615 HydrophobicContact CD1-CD2 4.2Å; L600-H618 HydrophobicContact CB-CB 4.48Å; L600-H618 HydrophobicContact CD1-CB 3.6Å
601	C	74.9	Confident	66.2	Low	37 Å²	37	92.7 Å²	92.7	25%	0.25	46%	0.461	C	S	.	.	S	Bend	trans	-164.7	161.5	162.9	74.6	0	0	0	0	111.6	C598 K603 H614	C598-C601 WeakPolarHBondContact CB-O 3.42Å; C601-K603 PolarHBondContact O-N 2.89Å; C601-H614 PolarHBondContact SG-NE2 2.93Å
602	K	63.5	Low	67	Low	217 Å²	217	93.1 Å²	93.1	94%	0.943	46%	0.457	S	S	*	.	S	Bend	trans	-64.7	22.3	-176.3	-55.4	-176.1	-179.5	-178.1	0	116.2
603	K	64.7	Low	68.1	Low	132 Å²	132	88.4 Å²	88.4	57%	0.574	45%	0.451	S	S	*	.			trans	-95	132.2	179.4	-66.4	174.7	-174.1	163.9	0	110.9	C598 C601 F605	C598-K603 WeakPolarHBondContact CB-O 3.37Å; C598-K603 PolarHBondContact N-O 3.11Å; C601-K603 PolarHBondContact O-N 2.89Å; K603-F605 HydrophobicContact CB-CE2 3.77Å; K603-F605 HydrophobicContact CB-CZ 3.95Å; K603-F605 WeakPolarHBondContact O-CE2 3.47Å
604	Q	72.5	Confident	69.1	Low	91 Å²	91	85.7 Å²	85.7	43%	0.425	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.2	-178.2	-53.7	178	-14.4	0	0	110.3	R594 K597	R594-Q604 HydrophobicContact CB-CB 3.79Å; R594-Q604 HydrophobicContact CG-CB 4.45Å; K597-Q604 HydrophobicContact CG-CG 4.13Å
605	F	75.1	Confident	69.8	Low	46 Å²	46	84.9 Å²	84.9	20%	0.202	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.5	-171.8	-60.6	-92.6	0	0	0	111	R594 Y596 C598 K603 Y607 L611 H614	R594-F605 CarbonylContact C-O 3.52Å; Y596-F605 WeakPolarHBondContact CB-O 3.37Å; Y596-F605 PolarHBondContact N-O 2.83Å; Y596-F605 PolarHBondContact O-N 3.22Å; C598-F605 HydrophobicContact CB-CE2 4.18Å; K603-F605 HydrophobicContact CB-CE2 3.77Å; K603-F605 HydrophobicContact CB-CZ 3.95Å; K603-F605 WeakPolarHBondContact O-CE2 3.47Å; F605-Y607 VanDerWaalsContact C-N 3.34Å; F605-L611 HydrophobicContact CB-CB 4.44Å; F605-L611 HydrophobicContact CD2-CB 4.32Å; F605-L611 HydrophobicContact CD2-CD1 4.11Å; F605-L611 HydrophobicContact CE2-CD1 4.37Å; F605-L611 HydrophobicContact CG-CB 4.46Å; F605-H614 HydrophobicContact CE1-CB 4.21Å; F605-H614 HydrophobicContact CE2-CB 4.32Å; F605-H614 AromaticContact CE2-CD2 3.27Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.41Å; F605-H614 HydrophobicContact CZ-CB 3.8Å; F605-H614 AromaticContact CZ-CD2 3.25Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.47Å; F605-H614 AromaticContact CZ-CG 3.59Å
606	Q	68.2	Low	70.4	Confident	84 Å²	84	84.3 Å²	84.3	39%	0.393	42%	0.423	S	S	.	.	S	Bend	trans	-78.4	-17.3	178.7	-163.5	-172	0.5	0	0	112.8
607	Y	68.9	Low	70.2	Confident	137 Å²	137	87.6 Å²	87.6	54%	0.537	43%	0.434	S	S	.	.	S	Bend	trans	-143.9	139.3	-174.8	-52.3	-77.2	0	0	0	111.9	F605 A609 S610 L611	F605-Y607 VanDerWaalsContact C-N 3.34Å; Y607-A609 PolarHBondContact O-N 2.84Å; Y607-S610 WeakPolarHBondContact O-CB 3.49Å; Y607-S610 PolarHBondContact O-N 3.06Å; Y607-L611 PolarHBondContact O-N 3.02Å
608	S	57	Low	70	Confident	46 Å²	46	82.7 Å²	82.7	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-56.6	-32.4	179.1	71.7	0	0	0	0	114	S610 L611 R612	S608-S610 VanDerWaalsContact C-N 3.33Å; S608-S610 PolarHBondContact O-N 2.96Å; S608-L611 PolarHBondContact O-N 2.68Å; S608-R612 PolarHBondContact O-N 2.93Å; S608-R612 PolarHBondContact OG-NH2 3.14Å
609	A	71.4	Confident	69.3	Low	60 Å²	60	87 Å²	87	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-33.6	174.8	0	0	0	0	0	112.7	Y607 A613	Y607-A609 PolarHBondContact O-N 2.84Å; A609-A613 WeakPolarHBondContact O-CB 3.49Å; A609-A613 PolarHBondContact O-N 2.92Å; A609-A613 VanDerWaalsContact O-N 3.09Å
610	S	75.5	Confident	68.8	Low	54 Å²	54	92.1 Å²	92.1	38%	0.378	45%	0.445	S	S	.	.	H	α-helix	trans	-73.8	-32.9	175.4	-62.5	0	0	0	0	112	Y607 S608 H614	Y607-S610 WeakPolarHBondContact O-CB 3.49Å; Y607-S610 PolarHBondContact O-N 3.06Å; S608-S610 VanDerWaalsContact C-N 3.33Å; S608-S610 PolarHBondContact O-N 2.96Å; S610-H614 WeakPolarHBondContact O-CB 3.42Å; S610-H614 PolarHBondContact O-N 2.9Å
611	L	78.6	Confident	68	Low	24 Å²	24	95.6 Å²	95.6	13%	0.126	46%	0.455	C	S	.	.	H	α-helix	trans	-67.9	-47.3	171.7	174.9	58.1	0	0	0	111.3	K597 C598 F605 Y607 S608 A613 H614 L615	K597-L611 WeakPolarHBondContact O-CD2 3.43Å; C598-L611 HydrophobicContact CB-CD1 3.64Å; F605-L611 HydrophobicContact CB-CB 4.44Å; F605-L611 HydrophobicContact CD2-CB 4.32Å; F605-L611 HydrophobicContact CD2-CD1 4.11Å; F605-L611 HydrophobicContact CE2-CD1 4.37Å; F605-L611 HydrophobicContact CG-CB 4.46Å; Y607-L611 PolarHBondContact O-N 3.02Å; S608-L611 PolarHBondContact O-N 2.68Å; L611-A613 PolarHBondContact O-N 2.98Å; L611-H614 CarbonylContact O-C 3.49Å; L611-H614 WeakPolarHBondContact O-CA 3.38Å; L611-H614 WeakPolarHBondContact O-CB 3.3Å; L611-H614 PolarHBondContact O-N 3.25Å; L611-L615 HydrophobicContact CD1-CD1 4.05Å; L611-L615 HydrophobicContact CD1-CD2 4.4Å; L611-L615 HydrophobicContact CD1-CG 3.94Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.31Å; L611-L615 WeakPolarHBondContact O-CG 3.18Å; L611-L615 PolarHBondContact O-N 3.08Å
612	R	71.2	Confident	66.3	Low	156 Å²	156	99.9 Å²	99.9	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-56.7	-47.7	175.3	-78.6	-179.2	-80.8	170.2	-9	112.4	S608 H614 L615 I616	S608-R612 PolarHBondContact O-N 2.93Å; S608-R612 PolarHBondContact OG-NH2 3.14Å; R612-H614 PolarHBondContact O-N 2.84Å; R612-H614 VanDerWaalsContact O-N 3.08Å; R612-L615 PolarHBondContact O-N 2.8Å; R612-I616 WeakPolarHBondContact O-CD1 3.09Å; R612-I616 WeakPolarHBondContact O-CG1 3.39Å; R612-I616 PolarHBondContact O-N 3.19Å
613	A	74.3	Confident	64.6	Low	57 Å²	57	93.9 Å²	93.9	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-66.5	-6.9	174.9	0	0	0	0	0	114.7	A609 L611 R617	A609-A613 WeakPolarHBondContact O-CB 3.49Å; A609-A613 PolarHBondContact O-N 2.92Å; A609-A613 VanDerWaalsContact O-N 3.09Å; L611-A613 PolarHBondContact O-N 2.98Å; A613-R617 PolarHBondContact O-NH2 3.17Å
614	H	74.8	Confident	63.8	Low	13 Å²	13	93.6 Å²	93.6	6%	0.06	48%	0.479	C	S	.	.	H	α-helix	trans	-99.3	-39.9	171	171.3	34.8	0	0	0	112.6	C598 C601 F605 S610 L611 R612 I616 R617 H618	C598-H614 VanDerWaalsContact SG-CD2 3.51Å; C598-H614 PolarHBondContact SG-NE2 3.37Å; C601-H614 PolarHBondContact SG-NE2 2.93Å; F605-H614 HydrophobicContact CE1-CB 4.21Å; F605-H614 HydrophobicContact CE2-CB 4.32Å; F605-H614 AromaticContact CE2-CD2 3.27Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.41Å; F605-H614 HydrophobicContact CZ-CB 3.8Å; F605-H614 AromaticContact CZ-CD2 3.25Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.47Å; F605-H614 AromaticContact CZ-CG 3.59Å; S610-H614 WeakPolarHBondContact O-CB 3.42Å; S610-H614 PolarHBondContact O-N 2.9Å; L611-H614 CarbonylContact O-C 3.49Å; L611-H614 WeakPolarHBondContact O-CA 3.38Å; L611-H614 WeakPolarHBondContact O-CB 3.3Å; L611-H614 PolarHBondContact O-N 3.25Å; R612-H614 PolarHBondContact O-N 2.84Å; R612-H614 VanDerWaalsContact O-N 3.08Å; H614-I616 VanDerWaalsContact C-N 3.34Å; H614-I616 PolarHBondContact O-N 3Å; H614-R617 WeakPolarHBondContact O-CA 3.5Å; H614-R617 WeakPolarHBondContact O-CB 3.19Å; H614-R617 PolarHBondContact O-N 2.95Å; H614-H618 AromaticContact CE1-CD2 3.77Å; H614-H618 AromaticContact CE1-CE1 3.89Å; H614-H618 AromaticContact CE1-NE2 3.19Å; H614-H618 PolarHBondContact CE1-NE2 3.15Å; H614-H618 AromaticContact NE2-NE2 3.36Å; H614-H618 PolarHBondContact NE2-NE2 2.91Å
615	L	70	Confident	61.8	Low	48 Å²	48	94.4 Å²	94.4	25%	0.251	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-39.4	178.1	-72.4	169.1	0	0	0	112.4	P599 L600 L611 R612 R617 H618 T619	P599-L615 HydrophobicContact CG-CD2 4.47Å; L600-L615 HydrophobicContact CD1-CD2 4.2Å; L611-L615 HydrophobicContact CD1-CD1 4.05Å; L611-L615 HydrophobicContact CD1-CD2 4.4Å; L611-L615 HydrophobicContact CD1-CG 3.94Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.31Å; L611-L615 WeakPolarHBondContact O-CG 3.18Å; L611-L615 PolarHBondContact O-N 3.08Å; R612-L615 PolarHBondContact O-N 2.8Å; L615-R617 PolarHBondContact O-N 3.01Å; L615-H618 PolarHBondContact O-N 3.13Å; L615-T619 PolarHBondContact O-N 3.09Å
616	I	73.5	Confident	59.7	Low	102 Å²	102	97.3 Å²	97.3	52%	0.523	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-10	172.6	-64.1	163.4	0	0	0	113	R612 H614	R612-I616 WeakPolarHBondContact O-CD1 3.09Å; R612-I616 WeakPolarHBondContact O-CG1 3.39Å; R612-I616 PolarHBondContact O-N 3.19Å; H614-I616 VanDerWaalsContact C-N 3.34Å; H614-I616 PolarHBondContact O-N 3Å
617	R	62.2	Low	57.9	Low	170 Å²	170	98.1 Å²	98.1	64%	0.642	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-9.8	177.9	-141.3	177.4	-52.6	145.2	15.3	114.1	A613 H614 L615	A613-R617 PolarHBondContact O-NH2 3.17Å; H614-R617 WeakPolarHBondContact O-CA 3.5Å; H614-R617 WeakPolarHBondContact O-CB 3.19Å; H614-R617 PolarHBondContact O-N 2.95Å; L615-R617 PolarHBondContact O-N 3.01Å
618	H	67.8	Low	56.2	Low	39 Å²	39	97.1 Å²	97.1	18%	0.181	55%	0.549	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-45.9	166.7	-68	-66.9	0	0	0	109.7	L600 H614 L615 R620 K621	L600-H618 HydrophobicContact CB-CB 4.48Å; L600-H618 HydrophobicContact CD1-CB 3.6Å; H614-H618 AromaticContact CE1-CD2 3.77Å; H614-H618 AromaticContact CE1-CE1 3.89Å; H614-H618 AromaticContact CE1-NE2 3.19Å; H614-H618 PolarHBondContact CE1-NE2 3.15Å; H614-H618 AromaticContact NE2-NE2 3.36Å; H614-H618 PolarHBondContact NE2-NE2 2.91Å; L615-H618 PolarHBondContact O-N 3.13Å; H618-R620 PolarHBondContact O-N 3.02Å; H618-K621 WeakPolarHBondContact O-CB 3.46Å; H618-K621 PolarHBondContact O-N 3.33Å
619	T	57.9	Low	54.8	Low	101 Å²	101	99.6 Å²	99.6	62%	0.62	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	16.3	176.7	69	0	0	0	0	115.6	L615	L615-T619 PolarHBondContact O-N 3.09Å
620	R	55.8	Low	52.8	Low	217 Å²	217	103.9 Å²	103.9	82%	0.819	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	8.8	171.8	-71.7	-174.9	174.3	-137.9	-3.3	112.2	H618	H618-R620 PolarHBondContact O-N 3.02Å
621	K	51	Low	50.5	Low	176 Å²	176	106.3 Å²	106.3	77%	0.765	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-16.6	-178.8	-150.7	-158.1	173.3	-149	0	112.9	H618 A623	H618-K621 WeakPolarHBondContact O-CB 3.46Å; H618-K621 PolarHBondContact O-N 3.33Å; K621-A623 PolarHBondContact O-N 3.07Å
622	D	38.1	Very low	48	Very low	127 Å²	127	109.7 Å²	109.7	68%	0.679	63%	0.629	S	S	*	*			trans	-103.6	80.4	-168.9	-49.6	-46	0	0	0	110.2
623	A	28.4	Very low	45.9	Very low	92 Å²	92	107.4 Å²	107.4	76%	0.76	64%	0.637	S	S	*	*			trans	-152.8	116.2	170	0	0	0	0	0	108.6	K621	K621-A623 PolarHBondContact O-N 3.07Å
624	P	47.3	Very low	43.6	Very low	125 Å²	125	111.9 Å²	111.9	81%	0.812	65%	0.653	S	S	*	*			trans	-108.9	162.1	-164.9	39.9	-35.7	0	0	0	115.8
625	S	30.7	Very low	41.6	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	69%	0.69	S	S	*	*			trans	161.3	107.7	152	-84.3	0	0	0	0	108
626	S	30.2	Very low	39.5	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	72%	0.717	S	S	*	*				66.9	133	83	66.6	0	0	0	0	114.5
627	S	32.2	Very low	37.8	Very low	101 Å²	101	123.6 Å²	123.6	71%	0.706	74%	0.735	S	S	*	*			cis	-173.1	154.6	-1.5	41.9	0	0	0	0	112.2
628	S	31.4	Very low	36.3	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	74%	0.738	S	S	*	*			trans	67.7	153.4	158.9	-57.5	0	0	0	0	118.5
629	S	29.3	Very low	34.3	Very low	98 Å²	98	124 Å²	124	69%	0.685	77%	0.773	S	S	*	*			cis	-167.8	161.3	-17.4	45.9	0	0	0	0	112.2
630	N	27.9	Very low	33.3	Very low	149 Å²	149	124.6 Å²	124.6	80%	0.797	78%	0.782	S	S	*	*			trans	87.1	124.1	157.1	-65.6	-2.8	0	0	0	123.4
631	S	27.9	Very low	32	Very low	106 Å²	106	120 Å²	120	74%	0.741	78%	0.783	S	S	*	*			trans	56.2	99.2	137.8	63	0	0	0	0	124
632	A	27.1	Very low	31.5	Very low	95 Å²	95	119.6 Å²	119.6	79%	0.785	78%	0.783	S	S	*	*				77.8	143.1	110.6	0	0	0	0	0	124.1
633	S	26.3	Very low	31.4	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	80%	0.795	S	S	*	*			trans	91.8	122	158	74.7	0	0	0	0	121.2
634	N	26	Very low	31.9	Very low	151 Å²	151	122.8 Å²	122.8	81%	0.807	80%	0.795	S	S	*	*			trans	64.8	119	142.7	-59.7	1.9	0	0	0	123.5
635	E	32.1	Very low	31.4	Very low	179 Å²	179	128.5 Å²	128.5	84%	0.836	80%	0.8	S	S	*	*				41.5	106	128.7	-62.5	-56.3	131.2	0	0	120.7
636	A	26.1	Very low	32.1	Very low	100 Å²	100	129.9 Å²	129.9	83%	0.826	80%	0.804	S	S	*	*			trans	-154.2	141.5	140.1	0	0	0	0	0	111.1
637	S	38.6	Very low	33.1	Very low	129 Å²	129	133.2 Å²	133.2	90%	0.902	81%	0.805	S	S	*	*			trans	-91.8	132.3	164.9	-80.3	0	0	0	0	110.9
638	G	29.3	Very low	34.1	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	81%	0.809	S	S	*	*			trans	104.2	120.5	161.2	0	0	0	0	0	115.9
639	T	26.6	Very low	35.3	Very low	152 Å²	152	138.9 Å²	138.9	93%	0.933	80%	0.798	S	S	*	*				-174	159.7	114.7	24.1	0	0	0	0	110.1
640	S	37.3	Very low	37.2	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	78%	0.779	S	S	*	*			trans	-86.9	135.4	169.1	50.6	0	0	0	0	111.1
641	S	27.5	Very low	39.2	Very low	120 Å²	120	135 Å²	135	84%	0.839	77%	0.766	S	S	*	*				-166.4	176.1	120	-151.7	0	0	0	0	112.9
642	E	40.7	Very low	41.4	Very low	168 Å²	168	130 Å²	130	79%	0.785	73%	0.731	S	S	*	*			trans	-79.3	158.4	-164.1	-46.7	-177.2	125.7	0	0	115.8
643	K	36.5	Very low	43.1	Very low	214 Å²	214	130.5 Å²	130.5	93%	0.93	73%	0.729	S	S	*	*				-160.5	123.9	111.1	-103.5	150.2	-171.8	170	0	111.8
644	G	38.9	Very low	45.1	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	72%	0.717	S	S	*	*			trans	-88.2	167.3	-168.8	0	0	0	0	0	115.5
645	R	36.9	Very low	47	Very low	245 Å²	245	125.5 Å²	125.5	93%	0.925	70%	0.696	S	S	*	*			trans	-125.6	105	155.8	-79.2	-176.7	168.9	136.9	-2.1	108.4	K647	R645-K647 PolarHBondContact O-N 3.21Å
646	T	45.1	Very low	48.8	Very low	136 Å²	136	119.6 Å²	119.6	83%	0.834	68%	0.683	S	S	*	*			trans	-66.7	90.9	-169.9	42.3	0	0	0	0	112.4	R648	T646-R648 VanDerWaalsContact C-N 3.26Å; T646-R648 PolarHBondContact O-N 3.46Å
647	K	52.1	Low	51	Low	179 Å²	179	122.6 Å²	122.6	78%	0.778	67%	0.673	S	S	*	*			trans	-74.8	79.1	174	-163.1	177.9	-164.5	171.2	0	109.2	R645 E649	R645-K647 PolarHBondContact O-N 3.21Å; K647-E649 WeakPolarHBondContact O-CG 3.17Å; K647-E649 PolarHBondContact O-N 3.11Å
648	R	52.7	Low	52.6	Low	208 Å²	208	119.7 Å²	119.7	79%	0.785	65%	0.65	S	S	*	*			trans	-34.4	107	-171.1	-77.2	-174.8	173.2	176.4	-3.7	112.4	T646 F650	T646-R648 VanDerWaalsContact C-N 3.26Å; T646-R648 PolarHBondContact O-N 3.46Å; R648-F650 HydrophobicContact CB-CE2 4.21Å; R648-F650 HydrophobicContact CB-CZ 4.08Å; R648-F650 WeakPolarHBondContact O-CD2 3.49Å; R648-F650 VanDerWaalsContact O-CE2 3.26Å; R648-F650 WeakPolarHBondContact O-CE2 3.46Å
649	E	55.7	Low	55	Low	127 Å²	127	118.3 Å²	118.3	59%	0.593	63%	0.627	S	S	*	*			trans	-108.3	110.3	-168.4	-107.6	178.3	-165	0	0	109.3	K647 I651 T658	K647-E649 WeakPolarHBondContact O-CG 3.17Å; K647-E649 PolarHBondContact O-N 3.11Å; E649-I651 PolarHBondContact O-N 3.27Å; E649-I651 VanDerWaalsContact O-N 3.15Å; E649-T658 HydrophobicContact CB-CG2 3.47Å; E649-T658 VanDerWaalsContact CB-CG2 3.47Å; E649-T658 HydrophobicContact CG-CG2 3.5Å; E649-T658 WeakPolarHBondContact OE2-CG2 3.29Å
650	F	69.9	Low	57.2	Low	62 Å²	62	116 Å²	116	27%	0.272	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	94.8	-167.1	-61.9	-83.6	0	0	0	110.1	R648 L659 L662 L665	R648-F650 HydrophobicContact CB-CE2 4.21Å; R648-F650 HydrophobicContact CB-CZ 4.08Å; R648-F650 WeakPolarHBondContact O-CD2 3.49Å; R648-F650 VanDerWaalsContact O-CE2 3.26Å; R648-F650 WeakPolarHBondContact O-CE2 3.46Å; F650-L659 WeakPolarHBondContact CB-O 3.14Å; F650-L659 PolarHBondContact N-O 2.59Å; F650-L659 PolarHBondContact O-N 3.38Å; F650-L662 HydrophobicContact CD1-CB 4.06Å; F650-L662 HydrophobicContact CD1-CD1 3.55Å; F650-L662 HydrophobicContact CD1-CG 4.42Å; F650-L662 HydrophobicContact CD2-CB 4.43Å; F650-L662 VanDerWaalsContact CD2-N 3.32Å; F650-L662 HydrophobicContact CE1-CB 3.91Å; F650-L662 HydrophobicContact CE1-CD1 3.75Å; F650-L662 HydrophobicContact CE1-CG 4.35Å; F650-L662 HydrophobicContact CE2-CB 4.28Å; F650-L662 HydrophobicContact CG-CB 4.32Å; F650-L662 HydrophobicContact CG-CD1 4.34Å; F650-L662 HydrophobicContact CZ-CB 4.02Å; F650-L665 HydrophobicContact CB-CB 4Å; F650-L665 HydrophobicContact CB-CD2 3.81Å
651	I	68.9	Low	59.2	Low	104 Å²	104	117.5 Å²	117.5	53%	0.533	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	134.8	-179.5	-57.8	170.6	0	0	0	110.3	E649 S653 T658	E649-I651 PolarHBondContact O-N 3.27Å; E649-I651 VanDerWaalsContact O-N 3.15Å; I651-S653 PolarHBondContact O-N 3.37Å; I651-T658 HydrophobicContact CG1-CG2 4.08Å
652	C	74.6	Confident	61.2	Low	0 Å²	0	116 Å²	116	0%	0	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	110.3	169	175.1	0	0	0	0	111.4	I654 C655 G656 R657 L665 H668 H672	C652-I654 PolarHBondContact O-N 3.47Å; C652-I654 VanDerWaalsContact O-N 3.15Å; C652-C655 PolarHBondContact O-N 2.6Å; C652-C655 VanDerWaalsContact O-N 3.1Å; C652-G656 WeakPolarHBondContact O-CA 3.47Å; C652-G656 PolarHBondContact O-N 3.43Å; C652-R657 HydrophobicContact CB-CB 4.4Å; C652-R657 PolarHBondContact N-O 3.46Å; C652-L665 HydrophobicContact CB-CD1 3.63Å; C652-H668 PolarHBondContact SG-CD2 3.04Å; C652-H668 PolarHBondContact SG-NE2 3.37Å; C652-H668 VanDerWaalsContact SG-NE2 3.4Å; C652-H672 PolarHBondContact SG-CD2 3.4Å; C652-H672 PolarHBondContact SG-NE2 2.78Å
653	S	64.1	Low	62.9	Low	106 Å²	106	116 Å²	116	74%	0.741	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-40.5	175.1	51.8	0	0	0	0	113.8	I651 C655	I651-S653 PolarHBondContact O-N 3.37Å; S653-C655 PolarHBondContact O-N 3.34Å
654	I	66.6	Low	64.9	Low	100 Å²	100	108 Å²	108	51%	0.513	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-17.4	-175.4	-59.1	172.6	0	0	0	113.7	C652 M669 H672	C652-I654 PolarHBondContact O-N 3.47Å; C652-I654 VanDerWaalsContact O-N 3.15Å; I654-M669 HydrophobicContact CD1-CE 3.62Å; I654-M669 HydrophobicContact CD1-SD 4.49Å; I654-M669 HydrophobicContact CG1-CE 4.15Å; I654-H672 HydrophobicContact CB-CB 4.39Å; I654-H672 HydrophobicContact CD1-CB 3.66Å; I654-H672 HydrophobicContact CG2-CB 4Å
655	C	66.8	Low	66.7	Low	54 Å²	54	105.8 Å²	105.8	37%	0.365	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	18.5	-178.8	80.9	0	0	0	0	117	C652 S653 R657 H668 H672	C652-C655 PolarHBondContact O-N 2.6Å; C652-C655 VanDerWaalsContact O-N 3.1Å; S653-C655 PolarHBondContact O-N 3.34Å; C655-R657 PolarHBondContact O-N 3.12Å; C655-R657 VanDerWaalsContact O-N 3.08Å; C655-H668 PolarHBondContact SG-NE2 2.93Å; C655-H672 PolarHBondContact SG-NE2 2.9Å; C655-H672 VanDerWaalsContact SG-NE2 3.42Å
656	G	69.9	Low	68.5	Low	55 Å²	55	102.1 Å²	102.1	57%	0.567	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	14.6	174.8	0	0	0	0	0	115.3	C652 T658	C652-G656 WeakPolarHBondContact O-CA 3.47Å; C652-G656 PolarHBondContact O-N 3.43Å; G656-T658 PolarHBondContact O-N 3.03Å
657	R	71.3	Confident	69.9	Low	163 Å²	163	97 Å²	97	62%	0.615	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.5	-175.2	-76.7	-175.5	-175.8	-127.8	-2.5	112.1	C652 C655	C652-R657 HydrophobicContact CB-CB 4.4Å; C652-R657 PolarHBondContact N-O 3.46Å; C655-R657 PolarHBondContact O-N 3.12Å; C655-R657 VanDerWaalsContact O-N 3.08Å
658	T	72.4	Confident	71.1	Confident	68 Å²	68	89.6 Å²	89.6	42%	0.417	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131	169.1	-31.3	0	0	0	0	111.8	E649 I651 G656	E649-T658 HydrophobicContact CB-CG2 3.47Å; E649-T658 VanDerWaalsContact CB-CG2 3.47Å; E649-T658 HydrophobicContact CG-CG2 3.5Å; E649-T658 WeakPolarHBondContact OE2-CG2 3.29Å; I651-T658 HydrophobicContact CG1-CG2 4.08Å; G656-T658 PolarHBondContact O-N 3.03Å
659	L	80.4	Confident	72	Confident	38 Å²	38	82.1 Å²	82.1	20%	0.199	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.2	-179.8	-69	166.1	0	0	0	110.7	F650 K661 L665 H668	F650-L659 WeakPolarHBondContact CB-O 3.14Å; F650-L659 PolarHBondContact N-O 2.59Å; F650-L659 PolarHBondContact O-N 3.38Å; L659-K661 PolarHBondContact O-N 2.84Å; L659-L665 HydrophobicContact CD1-CB 4.24Å; L659-L665 HydrophobicContact CD1-CD1 4.15Å; L659-H668 HydrophobicContact CD1-CB 3.47Å; L659-H668 VanDerWaalsContact CD1-CB 3.47Å
660	P	73.7	Confident	73	Confident	104 Å²	104	77.9 Å²	77.9	68%	0.675	40%	0.402	S	S	*	.	S	Bend	trans	-78.3	7.6	-167.9	32	-38.4	0	0	0	114.9
661	K	79	Confident	73	Confident	144 Å²	144	80.2 Å²	80.2	63%	0.626	41%	0.412	S	S	*	.	S	Bend	trans	-155.1	137.3	178.8	-64.3	-165.7	176.9	-163.9	0	111	L659 Y663 S664 L665	L659-K661 PolarHBondContact O-N 2.84Å; K661-Y663 VanDerWaalsContact C-N 3.3Å; K661-Y663 PolarHBondContact O-N 3.29Å; K661-S664 WeakPolarHBondContact O-CA 3.49Å; K661-S664 VanDerWaalsContact O-CB 3.29Å; K661-S664 WeakPolarHBondContact O-CB 3.38Å; K661-S664 PolarHBondContact O-N 2.9Å; K661-L665 PolarHBondContact O-N 2.73Å; K661-L665 VanDerWaalsContact O-N 3.1Å
662	L	70	Confident	72.8	Confident	88 Å²	88	78.5 Å²	78.5	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-55.2	-40.3	177.1	-171.9	70.5	0	0	0	113.2	F650 S664 L665 R666	F650-L662 HydrophobicContact CD1-CB 4.06Å; F650-L662 HydrophobicContact CD1-CD1 3.55Å; F650-L662 HydrophobicContact CD1-CG 4.42Å; F650-L662 HydrophobicContact CD2-CB 4.43Å; F650-L662 VanDerWaalsContact CD2-N 3.32Å; F650-L662 HydrophobicContact CE1-CB 3.91Å; F650-L662 HydrophobicContact CE1-CD1 3.75Å; F650-L662 HydrophobicContact CE1-CG 4.35Å; F650-L662 HydrophobicContact CE2-CB 4.28Å; F650-L662 HydrophobicContact CG-CB 4.32Å; F650-L662 HydrophobicContact CG-CD1 4.34Å; F650-L662 HydrophobicContact CZ-CB 4.02Å; L662-S664 VanDerWaalsContact C-N 3.31Å; L662-S664 PolarHBondContact O-N 3.13Å; L662-L665 CarbonylContact O-C 3.53Å; L662-L665 WeakPolarHBondContact O-CA 3.38Å; L662-L665 WeakPolarHBondContact O-CB 3.06Å; L662-L665 PolarHBondContact O-N 3.21Å; L662-L665 VanDerWaalsContact O-N 3.11Å; L662-R666 PolarHBondContact O-N 3.22Å
663	Y	75.9	Confident	72.2	Confident	170 Å²	170	82.4 Å²	82.4	67%	0.667	43%	0.426	S	S	*	.	H	α-helix	trans	-62.1	-35.8	174.8	177.3	-116.6	0	0	0	113.1	K661 R666 I667	K661-Y663 VanDerWaalsContact C-N 3.3Å; K661-Y663 PolarHBondContact O-N 3.29Å; Y663-R666 PolarHBondContact O-N 3.18Å; Y663-I667 HydrophobicContact CD1-CD1 4.02Å; Y663-I667 HydrophobicContact CD2-CD1 4.23Å; Y663-I667 HydrophobicContact CE1-CD1 3.54Å; Y663-I667 HydrophobicContact CE2-CD1 3.76Å; Y663-I667 HydrophobicContact CE2-CG1 4.28Å; Y663-I667 HydrophobicContact CG-CD1 4.36Å; Y663-I667 VanDerWaalsContact CZ-CD1 3.4Å; Y663-I667 WeakPolarHBondContact O-CG1 3.47Å; Y663-I667 PolarHBondContact O-N 3.49Å
664	S	78.8	Confident	72.2	Confident	46 Å²	46	79.3 Å²	79.3	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-67.9	-37	173.4	-60.8	0	0	0	0	111.5	K661 L662 H668	K661-S664 WeakPolarHBondContact O-CA 3.49Å; K661-S664 VanDerWaalsContact O-CB 3.29Å; K661-S664 WeakPolarHBondContact O-CB 3.38Å; K661-S664 PolarHBondContact O-N 2.9Å; L662-S664 VanDerWaalsContact C-N 3.31Å; L662-S664 PolarHBondContact O-N 3.13Å; S664-H668 VanDerWaalsContact O-CB 3.26Å; S664-H668 WeakPolarHBondContact O-CB 3.39Å; S664-H668 PolarHBondContact O-N 2.82Å
665	L	76.4	Confident	72.1	Confident	25 Å²	25	78.4 Å²	78.4	13%	0.131	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-48	171.7	176.8	59.5	0	0	0	111.2	F650 C652 L659 K661 L662 I667 H668 M669	F650-L665 HydrophobicContact CB-CB 4Å; F650-L665 HydrophobicContact CB-CD2 3.81Å; C652-L665 HydrophobicContact CB-CD1 3.63Å; L659-L665 HydrophobicContact CD1-CB 4.24Å; L659-L665 HydrophobicContact CD1-CD1 4.15Å; K661-L665 PolarHBondContact O-N 2.73Å; K661-L665 VanDerWaalsContact O-N 3.1Å; L662-L665 CarbonylContact O-C 3.53Å; L662-L665 WeakPolarHBondContact O-CA 3.38Å; L662-L665 WeakPolarHBondContact O-CB 3.06Å; L662-L665 PolarHBondContact O-N 3.21Å; L662-L665 VanDerWaalsContact O-N 3.11Å; L665-I667 VanDerWaalsContact C-N 3.34Å; L665-I667 PolarHBondContact O-N 2.86Å; L665-H668 CarbonylContact O-C 3.53Å; L665-H668 WeakPolarHBondContact O-CA 3.4Å; L665-H668 VanDerWaalsContact O-CB 3.29Å; L665-H668 WeakPolarHBondContact O-CB 3.32Å; L665-H668 PolarHBondContact O-N 3.02Å; L665-M669 HydrophobicContact CD1-CG 4.01Å; L665-M669 HydrophobicContact CD1-SD 4.13Å; L665-M669 HydrophobicContact CG-CG 4.28Å; L665-M669 WeakPolarHBondContact O-CG 3.28Å; L665-M669 PolarHBondContact O-N 3.23Å
666	R	73.3	Confident	72.5	Confident	168 Å²	168	80.3 Å²	80.3	63%	0.634	41%	0.411	S	S	*	.	H	α-helix	trans	-55.3	-46.1	177.6	-165.6	178.4	-69.4	167.5	-3.2	112	L662 Y663 H668 M669 L670	L662-R666 PolarHBondContact O-N 3.22Å; Y663-R666 PolarHBondContact O-N 3.18Å; R666-H668 VanDerWaalsContact C-N 3.29Å; R666-H668 PolarHBondContact O-N 3.15Å; R666-M669 PolarHBondContact O-N 3.42Å; R666-L670 PolarHBondContact O-N 3.28Å
667	I	75.7	Confident	72.8	Confident	28 Å²	28	81.3 Å²	81.3	14%	0.144	41%	0.408	C	S	.	.	H	α-helix	trans	-65.1	-30.5	173.1	-73.8	171.6	0	0	0	113	Y663 L665 Y689	Y663-I667 HydrophobicContact CD1-CD1 4.02Å; Y663-I667 HydrophobicContact CD2-CD1 4.23Å; Y663-I667 HydrophobicContact CE1-CD1 3.54Å; Y663-I667 HydrophobicContact CE2-CD1 3.76Å; Y663-I667 HydrophobicContact CE2-CG1 4.28Å; Y663-I667 HydrophobicContact CG-CD1 4.36Å; Y663-I667 VanDerWaalsContact CZ-CD1 3.4Å; Y663-I667 WeakPolarHBondContact O-CG1 3.47Å; Y663-I667 PolarHBondContact O-N 3.49Å; L665-I667 VanDerWaalsContact C-N 3.34Å; L665-I667 PolarHBondContact O-N 2.86Å; I667-Y689 HydrophobicContact CD1-CE1 4.38Å; I667-Y689 HydrophobicContact CG2-CE1 3.48Å; I667-Y689 VanDerWaalsContact CG2-CE1 3.48Å; I667-Y689 VanDerWaalsContact CG2-OH 3.25Å; I667-Y689 WeakPolarHBondContact CG2-OH 3.46Å
668	H	76.2	Confident	73	Confident	24 Å²	24	75.5 Å²	75.5	11%	0.111	39%	0.388	C	S	.	.	H	α-helix	trans	-72.9	-40.2	175.6	177.8	87	0	0	0	111.4	C652 C655 L659 S664 L665 R666 L670 K671 H672	C652-H668 PolarHBondContact SG-CD2 3.04Å; C652-H668 PolarHBondContact SG-NE2 3.37Å; C652-H668 VanDerWaalsContact SG-NE2 3.4Å; C655-H668 PolarHBondContact SG-NE2 2.93Å; L659-H668 HydrophobicContact CD1-CB 3.47Å; L659-H668 VanDerWaalsContact CD1-CB 3.47Å; S664-H668 VanDerWaalsContact O-CB 3.26Å; S664-H668 WeakPolarHBondContact O-CB 3.39Å; S664-H668 PolarHBondContact O-N 2.82Å; L665-H668 CarbonylContact O-C 3.53Å; L665-H668 WeakPolarHBondContact O-CA 3.4Å; L665-H668 VanDerWaalsContact O-CB 3.29Å; L665-H668 WeakPolarHBondContact O-CB 3.32Å; L665-H668 PolarHBondContact O-N 3.02Å; R666-H668 VanDerWaalsContact C-N 3.29Å; R666-H668 PolarHBondContact O-N 3.15Å; H668-L670 VanDerWaalsContact C-N 3.3Å; H668-L670 PolarHBondContact O-N 3.36Å; H668-K671 VanDerWaalsContact O-CB 3.27Å; H668-K671 WeakPolarHBondContact O-CB 3.42Å; H668-K671 PolarHBondContact O-N 2.96Å; H668-H672 AromaticContact CD2-CD2 3.94Å; H668-H672 AromaticContact CD2-NE2 3.59Å; H668-H672 AromaticContact CE1-NE2 3.85Å; H668-H672 AromaticContact NE2-CD2 3.78Å; H668-H672 AromaticContact NE2-CE1 3.85Å; H668-H672 AromaticContact NE2-NE2 2.97Å; H668-H672 PolarHBondContact NE2-NE2 2.96Å
669	M	72.8	Confident	73.4	Confident	50 Å²	50	74.4 Å²	74.4	25%	0.246	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-35.5	175.8	-65.8	-58.3	-77.1	0	0	112.4	I654 L665 R666 K671 H672 T673	I654-M669 HydrophobicContact CD1-CE 3.62Å; I654-M669 HydrophobicContact CD1-SD 4.49Å; I654-M669 HydrophobicContact CG1-CE 4.15Å; L665-M669 HydrophobicContact CD1-CG 4.01Å; L665-M669 HydrophobicContact CD1-SD 4.13Å; L665-M669 HydrophobicContact CG-CG 4.28Å; L665-M669 WeakPolarHBondContact O-CG 3.28Å; L665-M669 PolarHBondContact O-N 3.23Å; R666-M669 PolarHBondContact O-N 3.42Å; M669-K671 PolarHBondContact O-N 3.34Å; M669-H672 PolarHBondContact O-N 2.84Å; M669-T673 PolarHBondContact O-N 3.14Å; M669-T673 PolarHBondContact O-OG1 3.04Å
670	L	76.4	Confident	73.5	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.204	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.6	170.6	-65.8	176.7	0	0	0	114.4	R666 H668 V675 I688	R666-L670 PolarHBondContact O-N 3.28Å; H668-L670 VanDerWaalsContact C-N 3.3Å; H668-L670 PolarHBondContact O-N 3.36Å; L670-V675 HydrophobicContact CD2-CB 3.97Å; L670-V675 HydrophobicContact CD2-CG1 4.14Å; L670-I688 HydrophobicContact CB-CG2 3.98Å; L670-I688 HydrophobicContact CD1-CG2 4.07Å
671	K	69.6	Low	73.6	Confident	110 Å²	110	76 Å²	76	48%	0.478	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-20.8	173	-62.5	169.7	-176.5	170	0	113	H668 M669 I688 Y689	H668-K671 VanDerWaalsContact O-CB 3.27Å; H668-K671 WeakPolarHBondContact O-CB 3.42Å; H668-K671 PolarHBondContact O-N 2.96Å; M669-K671 PolarHBondContact O-N 3.34Å; K671-I688 HydrophobicContact CG-CD1 3.6Å; K671-Y689 PolarHBondContact NZ-OH 3.19Å; K671-Y689 VanDerWaalsContact NZ-OH 3.14Å
672	H	64.9	Low	73.4	Confident	68 Å²	68	74.1 Å²	74.1	32%	0.315	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-48.9	176.9	-62.7	-50.2	0	0	0	111.3	C652 I654 C655 H668 M669 G674	C652-H672 PolarHBondContact SG-CD2 3.4Å; C652-H672 PolarHBondContact SG-NE2 2.78Å; I654-H672 HydrophobicContact CB-CB 4.39Å; I654-H672 HydrophobicContact CD1-CB 3.66Å; I654-H672 HydrophobicContact CG2-CB 4Å; C655-H672 PolarHBondContact SG-NE2 2.9Å; C655-H672 VanDerWaalsContact SG-NE2 3.42Å; H668-H672 AromaticContact CD2-CD2 3.94Å; H668-H672 AromaticContact CD2-NE2 3.59Å; H668-H672 AromaticContact CE1-NE2 3.85Å; H668-H672 AromaticContact NE2-CD2 3.78Å; H668-H672 AromaticContact NE2-CE1 3.85Å; H668-H672 AromaticContact NE2-NE2 2.97Å; H668-H672 PolarHBondContact NE2-NE2 2.96Å; M669-H672 PolarHBondContact O-N 2.84Å; H672-G674 PolarHBondContact O-N 3Å
673	T	63	Low	73.6	Confident	83 Å²	83	72.5 Å²	72.5	51%	0.509	38%	0.379	S	S	.	.	S	Bend	trans	-67.2	-16.3	174.6	64.7	0	0	0	0	112.5	M669 V675	M669-T673 PolarHBondContact O-N 3.14Å; M669-T673 PolarHBondContact O-OG1 3.04Å; T673-V675 PolarHBondContact O-N 3.33Å; T673-V675 VanDerWaalsContact O-N 3.07Å
674	G	63.4	Low	73.6	Confident	40 Å²	40	67.3 Å²	67.3	41%	0.412	38%	0.376	S	S	.	.			trans	72.5	-5	179.8	0	0	0	0	0	114.8	H672 K676	H672-G674 PolarHBondContact O-N 3Å; G674-K676 WeakPolarHBondContact O-CE 3.43Å
675	V	63.4	Low	73.5	Confident	82 Å²	82	70.9 Å²	70.9	50%	0.497	39%	0.386	S	S	.	.			trans	-62.3	131	179.7	178.6	0	0	0	0	110.3	L670 T673	L670-V675 HydrophobicContact CD2-CB 3.97Å; L670-V675 HydrophobicContact CD2-CG1 4.14Å; T673-V675 PolarHBondContact O-N 3.33Å; T673-V675 VanDerWaalsContact O-N 3.07Å
676	K	76.1	Confident	73.6	Confident	94 Å²	94	72.7 Å²	72.7	41%	0.409	40%	0.398	S	S	.	.			trans	-134.2	85.6	-173.6	-76.5	177.2	-136.8	150.8	0	110	G674 H678 T686 F687 I688	G674-K676 WeakPolarHBondContact O-CE 3.43Å; K676-H678 PolarHBondContact O-N 2.66Å; K676-T686 VanDerWaalsContact CD-O 3.22Å; K676-T686 WeakPolarHBondContact CD-O 3.23Å; K676-T686 WeakPolarHBondContact O-CB 3.46Å; K676-F687 CarbonylContact C-O 3.55Å; K676-I688 HydrophobicContact CD-CG1 4.44Å; K676-I688 HydrophobicContact CG-CG1 3.71Å
677	P	75.3	Confident	73.9	Confident	76 Å²	76	67.3 Å²	67.3	49%	0.494	38%	0.38	S	S	.	.			trans	-70.3	3.3	-166.6	28.3	-36.5	0	0	0	115.2
678	H	77.3	Confident	74.1	Confident	41 Å²	41	67.6 Å²	67.6	19%	0.19	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	84.9	-177.6	-56.7	-39.7	0	0	0	110.8	K676 T686 F687 K690 L693	K676-H678 PolarHBondContact O-N 2.66Å; H678-T686 WeakPolarHBondContact O-CA 3.36Å; H678-F687 HydrophobicContact CB-CB 4.4Å; H678-F687 WeakPolarHBondContact CB-O 3.24Å; H678-F687 PolarHBondContact N-O 3.29Å; H678-F687 PolarHBondContact O-N 2.97Å; H678-K690 PolarHBondContact CD2-N 3.22Å; H678-K690 WeakPolarHBondContact NE2-CG 3.48Å; H678-L693 HydrophobicContact CB-CB 3.99Å; H678-L693 HydrophobicContact CB-CD2 3.87Å
679	A	80.3	Confident	74.2	Confident	44 Å²	44	70.1 Å²	70.1	36%	0.364	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.1	175.9	0	0	0	0	0	112.5	T686 L693	A679-T686 HydrophobicContact CB-CG2 3.96Å; A679-L693 WeakPolarHBondContact O-CD1 3.23Å; A679-L693 WeakPolarHBondContact O-CD2 3.42Å
680	C	82.4	Confident	74.4	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.007	41%	0.412	C	S	.	.			trans	-96.7	109.1	172.1	-172.4	0	0	0	0	111.2	V682 C683 G684 K685 F687 L693 H696 H700	C680-V682 PolarHBondContact O-N 2.75Å; C680-C683 PolarHBondContact O-N 3.14Å; C680-C683 VanDerWaalsContact O-N 3.07Å; C680-G684 WeakPolarHBondContact O-CA 3.41Å; C680-G684 PolarHBondContact O-N 3.36Å; C680-K685 WeakPolarHBondContact CB-O 3.38Å; C680-K685 PolarHBondContact N-O 3.26Å; C680-F687 HydrophobicContact CB-CE2 4.49Å; C680-L693 HydrophobicContact CB-CD1 3.58Å; C680-H696 VanDerWaalsContact CB-CD2 3.5Å; C680-H696 WeakPolarHBondContact CB-CD2 3.49Å; C680-H696 PolarHBondContact SG-CD2 3.05Å; C680-H700 VanDerWaalsContact SG-CD2 3.54Å
681	Q	75.6	Confident	74.4	Confident	176 Å²	176	80 Å²	80	82%	0.822	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.9	-177.7	-52.7	-59.6	13.7	0	0	114.3
682	V	74.3	Confident	74.9	Confident	103 Å²	103	75.4 Å²	75.4	62%	0.624	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-21.5	-179.4	-168.6	0	0	0	0	113.5	C680 H700	C680-V682 PolarHBondContact O-N 2.75Å; V682-H700 HydrophobicContact CB-CB 4.16Å; V682-H700 HydrophobicContact CG1-CB 3.9Å; V682-H700 HydrophobicContact CG2-CB 4.27Å
683	C	75.3	Confident	75.7	Confident	55 Å²	55	73.2 Å²	73.2	37%	0.372	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	18.8	177.4	77.1	0	0	0	0	117	C680 K685 H696 H700	C680-C683 PolarHBondContact O-N 3.14Å; C680-C683 VanDerWaalsContact O-N 3.07Å; C683-K685 PolarHBondContact O-N 3.38Å; C683-H696 PolarHBondContact SG-NE2 2.87Å; C683-H700 PolarHBondContact SG-CE1 3.19Å; C683-H700 PolarHBondContact SG-NE2 3.1Å
684	G	76.3	Confident	76.5	Confident	60 Å²	60	76.8 Å²	76.8	62%	0.619	42%	0.415	S	S	*	.			trans	68	-0.3	175.3	0	0	0	0	0	115.9	C680 T686	C680-G684 WeakPolarHBondContact O-CA 3.41Å; C680-G684 PolarHBondContact O-N 3.36Å; G684-T686 PolarHBondContact O-N 3.39Å
685	K	76.2	Confident	77.2	Confident	122 Å²	122	79.7 Å²	79.7	53%	0.53	42%	0.421	S	S	.	.			trans	-70.6	125.2	-179.6	-72.6	177.4	-172.3	168	0	110.8	C680 C683 F687	C680-K685 WeakPolarHBondContact CB-O 3.38Å; C680-K685 PolarHBondContact N-O 3.26Å; C683-K685 PolarHBondContact O-N 3.38Å; K685-F687 HydrophobicContact CB-CE2 3.81Å; K685-F687 HydrophobicContact CB-CZ 4.1Å; K685-F687 WeakPolarHBondContact O-CD2 3.4Å; K685-F687 VanDerWaalsContact O-CE2 3.24Å; K685-F687 WeakPolarHBondContact O-CE2 3.27Å
686	T	77.8	Confident	77.9	Confident	63 Å²	63	76.5 Å²	76.5	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.1	-176.9	53.1	0	0	0	0	112.2	K676 H678 A679 G684	K676-T686 VanDerWaalsContact CD-O 3.22Å; K676-T686 WeakPolarHBondContact CD-O 3.23Å; K676-T686 WeakPolarHBondContact O-CB 3.46Å; H678-T686 WeakPolarHBondContact O-CA 3.36Å; A679-T686 HydrophobicContact CB-CG2 3.96Å; G684-T686 PolarHBondContact O-N 3.39Å
687	F	80.3	Confident	77.9	Confident	54 Å²	54	75.8 Å²	75.8	24%	0.237	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-175.7	-62.1	-91.3	0	0	0	112	K676 H678 C680 K685 Y689 L693 H696	K676-F687 CarbonylContact C-O 3.55Å; H678-F687 HydrophobicContact CB-CB 4.4Å; H678-F687 WeakPolarHBondContact CB-O 3.24Å; H678-F687 PolarHBondContact N-O 3.29Å; H678-F687 PolarHBondContact O-N 2.97Å; C680-F687 HydrophobicContact CB-CE2 4.49Å; K685-F687 HydrophobicContact CB-CE2 3.81Å; K685-F687 HydrophobicContact CB-CZ 4.1Å; K685-F687 WeakPolarHBondContact O-CD2 3.4Å; K685-F687 VanDerWaalsContact O-CE2 3.24Å; K685-F687 WeakPolarHBondContact O-CE2 3.27Å; F687-Y689 VanDerWaalsContact C-N 3.32Å; F687-L693 HydrophobicContact CB-CB 4.44Å; F687-L693 HydrophobicContact CD2-CB 4.26Å; F687-L693 HydrophobicContact CD2-CD1 4.23Å; F687-H696 HydrophobicContact CE1-CB 4.07Å; F687-H696 HydrophobicContact CE2-CB 3.77Å; F687-H696 AromaticContact CE2-CD2 3.27Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.25Å; F687-H696 AromaticContact CE2-CG 3.56Å; F687-H696 HydrophobicContact CZ-CB 3.46Å; F687-H696 VanDerWaalsContact CZ-CB 3.46Å; F687-H696 AromaticContact CZ-CD2 3.48Å; F687-H696 VanDerWaalsContact CZ-CD2 3.48Å; F687-H696 WeakPolarHBondContact CZ-CD2 3.4Å; F687-H696 AromaticContact CZ-CG 3.29Å; F687-H696 AromaticContact CZ-ND1 3.95Å
688	I	78.9	Confident	77.7	Confident	34 Å²	34	73.9 Å²	73.9	17%	0.174	39%	0.387	C	S	.	.	S	Bend	trans	-76.3	-20.6	176.5	-57.9	178.1	0	0	0	111.7	L670 K671 K676	L670-I688 HydrophobicContact CB-CG2 3.98Å; L670-I688 HydrophobicContact CD1-CG2 4.07Å; K671-I688 HydrophobicContact CG-CD1 3.6Å; K676-I688 HydrophobicContact CD-CG1 4.44Å; K676-I688 HydrophobicContact CG-CG1 3.71Å
689	Y	79.4	Confident	77.2	Confident	77 Å²	77	77.3 Å²	77.3	30%	0.302	41%	0.406	S	S	.	.	S	Bend	trans	-131.9	136.5	-171.6	-55.4	-85.7	0	0	0	112.4	I667 K671 F687 H691 G692 L693	I667-Y689 HydrophobicContact CD1-CE1 4.38Å; I667-Y689 HydrophobicContact CG2-CE1 3.48Å; I667-Y689 VanDerWaalsContact CG2-CE1 3.48Å; I667-Y689 VanDerWaalsContact CG2-OH 3.25Å; I667-Y689 WeakPolarHBondContact CG2-OH 3.46Å; K671-Y689 PolarHBondContact NZ-OH 3.19Å; K671-Y689 VanDerWaalsContact NZ-OH 3.14Å; F687-Y689 VanDerWaalsContact C-N 3.32Å; Y689-H691 VanDerWaalsContact CB-CE1 3.45Å; Y689-H691 WeakPolarHBondContact CB-CE1 3.43Å; Y689-H691 WeakPolarHBondContact CB-ND1 3.42Å; Y689-H691 AromaticContact CD1-CE1 3.93Å; Y689-H691 AromaticContact CG-CE1 3.55Å; Y689-H691 AromaticContact CG-ND1 3.99Å; Y689-H691 PolarHBondContact O-N 3.31Å; Y689-G692 WeakPolarHBondContact O-CA 3.48Å; Y689-G692 PolarHBondContact O-N 2.73Å; Y689-L693 PolarHBondContact O-N 2.8Å; Y689-L693 VanDerWaalsContact O-N 3.1Å
690	K	76.6	Confident	76.7	Confident	161 Å²	161	78.3 Å²	78.3	70%	0.7	40%	0.403	S	S	*	.	H	α-helix	trans	-53.1	-38.9	173.8	-64	-170.7	178.5	-177.2	0	112.4	H678 G692 L693 K694	H678-K690 PolarHBondContact CD2-N 3.22Å; H678-K690 WeakPolarHBondContact NE2-CG 3.48Å; K690-G692 VanDerWaalsContact C-N 3.32Å; K690-G692 PolarHBondContact O-N 2.74Å; K690-L693 PolarHBondContact O-N 3.13Å; K690-K694 PolarHBondContact O-N 3.37Å
691	H	76.8	Confident	75.8	Confident	135 Å²	135	85 Å²	85	63%	0.625	43%	0.434	S	S	*	.	H	α-helix	trans	-66.2	-32.2	175.9	78.7	-103.7	0	0	0	113.2	Y689 K694 L695	Y689-H691 VanDerWaalsContact CB-CE1 3.45Å; Y689-H691 WeakPolarHBondContact CB-CE1 3.43Å; Y689-H691 WeakPolarHBondContact CB-ND1 3.42Å; Y689-H691 AromaticContact CD1-CE1 3.93Å; Y689-H691 AromaticContact CG-CE1 3.55Å; Y689-H691 AromaticContact CG-ND1 3.99Å; Y689-H691 PolarHBondContact O-N 3.31Å; H691-K694 PolarHBondContact O-N 2.69Å; H691-L695 WeakPolarHBondContact O-CB 3.49Å; H691-L695 PolarHBondContact O-N 2.71Å
692	G	80.3	Confident	74.8	Confident	15 Å²	15	81.9 Å²	81.9	16%	0.155	43%	0.432	C	S	.	.	H	α-helix	trans	-71.6	-38.9	177.8	0	0	0	0	0	111.4	Y689 K690 H696	Y689-G692 WeakPolarHBondContact O-CA 3.48Å; Y689-G692 PolarHBondContact O-N 2.73Å; K690-G692 VanDerWaalsContact C-N 3.32Å; K690-G692 PolarHBondContact O-N 2.74Å; G692-H696 WeakPolarHBondContact O-CB 3.25Å; G692-H696 PolarHBondContact O-N 3.46Å; G692-H696 VanDerWaalsContact O-N 3.11Å
693	L	81.7	Confident	74	Confident	22 Å²	22	83.2 Å²	83.2	12%	0.115	43%	0.432	C	S	.	.	H	α-helix	trans	-62.1	-47.7	168.7	174.2	59.6	0	0	0	111.3	H678 A679 C680 F687 Y689 K690 L695 H696 Q697	H678-L693 HydrophobicContact CB-CB 3.99Å; H678-L693 HydrophobicContact CB-CD2 3.87Å; A679-L693 WeakPolarHBondContact O-CD1 3.23Å; A679-L693 WeakPolarHBondContact O-CD2 3.42Å; C680-L693 HydrophobicContact CB-CD1 3.58Å; F687-L693 HydrophobicContact CB-CB 4.44Å; F687-L693 HydrophobicContact CD2-CB 4.26Å; F687-L693 HydrophobicContact CD2-CD1 4.23Å; Y689-L693 PolarHBondContact O-N 2.8Å; Y689-L693 VanDerWaalsContact O-N 3.1Å; K690-L693 PolarHBondContact O-N 3.13Å; L693-L695 PolarHBondContact O-N 3.2Å; L693-H696 CarbonylContact O-C 3.54Å; L693-H696 WeakPolarHBondContact O-CA 3.49Å; L693-H696 WeakPolarHBondContact O-CB 3.34Å; L693-H696 PolarHBondContact O-N 3.09Å; L693-Q697 HydrophobicContact CD1-CG 3.94Å; L693-Q697 HydrophobicContact CG-CG 4.31Å; L693-Q697 WeakPolarHBondContact O-CG 3.26Å; L693-Q697 PolarHBondContact O-N 2.77Å
694	K	79.8	Confident	73	Confident	157 Å²	157	86.9 Å²	86.9	68%	0.683	44%	0.441	S	S	*	.	H	α-helix	trans	-60.1	-45.1	179.8	-169.5	169	-176.8	171.9	0	112.7	K690 H691 H696 Q697 S698	K690-K694 PolarHBondContact O-N 3.37Å; H691-K694 PolarHBondContact O-N 2.69Å; K694-H696 PolarHBondContact O-N 2.83Å; K694-Q697 PolarHBondContact O-N 2.95Å; K694-S698 PolarHBondContact O-N 3.28Å; K694-S698 PolarHBondContact O-OG 3.04Å
695	L	76.3	Confident	72.4	Confident	101 Å²	101	89.9 Å²	89.9	53%	0.529	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-26	173.7	-168.4	99.3	0	0	0	112.8	H691 L693 S698 T717	H691-L695 WeakPolarHBondContact O-CB 3.49Å; H691-L695 PolarHBondContact O-N 2.71Å; L693-L695 PolarHBondContact O-N 3.2Å; L695-S698 PolarHBondContact O-OG 3.46Å; L695-S698 VanDerWaalsContact O-OG 3.08Å; L695-T717 HydrophobicContact CD1-CG2 3.84Å
696	H	78.3	Confident	72	Confident	16 Å²	16	86.5 Å²	86.5	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-85.9	-31.2	176.3	177.7	57.4	0	0	0	113.1	C680 C683 F687 G692 L693 K694 S698 L699 H700	C680-H696 VanDerWaalsContact CB-CD2 3.5Å; C680-H696 WeakPolarHBondContact CB-CD2 3.49Å; C680-H696 PolarHBondContact SG-CD2 3.05Å; C683-H696 PolarHBondContact SG-NE2 2.87Å; F687-H696 HydrophobicContact CE1-CB 4.07Å; F687-H696 HydrophobicContact CE2-CB 3.77Å; F687-H696 AromaticContact CE2-CD2 3.27Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.25Å; F687-H696 AromaticContact CE2-CG 3.56Å; F687-H696 HydrophobicContact CZ-CB 3.46Å; F687-H696 VanDerWaalsContact CZ-CB 3.46Å; F687-H696 AromaticContact CZ-CD2 3.48Å; F687-H696 VanDerWaalsContact CZ-CD2 3.48Å; F687-H696 WeakPolarHBondContact CZ-CD2 3.4Å; F687-H696 AromaticContact CZ-CG 3.29Å; F687-H696 AromaticContact CZ-ND1 3.95Å; G692-H696 WeakPolarHBondContact O-CB 3.25Å; G692-H696 PolarHBondContact O-N 3.46Å; G692-H696 VanDerWaalsContact O-N 3.11Å; L693-H696 CarbonylContact O-C 3.54Å; L693-H696 WeakPolarHBondContact O-CA 3.49Å; L693-H696 WeakPolarHBondContact O-CB 3.34Å; L693-H696 PolarHBondContact O-N 3.09Å; K694-H696 PolarHBondContact O-N 2.83Å; H696-S698 VanDerWaalsContact C-N 3.28Å; H696-S698 PolarHBondContact O-N 3.13Å; H696-L699 WeakPolarHBondContact O-CB 3.47Å; H696-L699 PolarHBondContact O-N 2.68Å; H696-H700 AromaticContact CD2-NE2 3.77Å; H696-H700 AromaticContact CE1-CE1 3.93Å; H696-H700 AromaticContact CE1-NE2 3.22Å; H696-H700 PolarHBondContact CE1-NE2 2.93Å; H696-H700 AromaticContact NE2-CD2 3.85Å; H696-H700 AromaticContact NE2-CE1 3.91Å; H696-H700 AromaticContact NE2-NE2 2.95Å; H696-H700 PolarHBondContact NE2-NE2 2.94Å; H696-H700 PolarHBondContact O-CD2 3.29Å
697	Q	76.4	Confident	71.8	Confident	78 Å²	78	89.4 Å²	89.4	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-63.4	-36	172.4	-74.5	166.7	-47.2	0	0	111.3	L693 K694 L699 H700 Q701	L693-Q697 HydrophobicContact CD1-CG 3.94Å; L693-Q697 HydrophobicContact CG-CG 4.31Å; L693-Q697 WeakPolarHBondContact O-CG 3.26Å; L693-Q697 PolarHBondContact O-N 2.77Å; K694-Q697 PolarHBondContact O-N 2.95Å; Q697-L699 PolarHBondContact O-N 2.97Å; Q697-L699 VanDerWaalsContact O-N 3.16Å; Q697-H700 PolarHBondContact O-N 2.97Å; Q697-Q701 PolarHBondContact O-N 2.88Å; Q697-Q701 VanDerWaalsContact O-N 3.11Å
698	S	71.4	Confident	71.9	Confident	36 Å²	36	86.9 Å²	86.9	25%	0.252	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	8.8	170.2	53.5	0	0	0	0	115.2	K694 L695 H696 V716	K694-S698 PolarHBondContact O-N 3.28Å; K694-S698 PolarHBondContact O-OG 3.04Å; L695-S698 PolarHBondContact O-OG 3.46Å; L695-S698 VanDerWaalsContact O-OG 3.08Å; H696-S698 VanDerWaalsContact C-N 3.28Å; H696-S698 PolarHBondContact O-N 3.13Å; S698-V716 VanDerWaalsContact O-CG2 3.27Å; S698-V716 WeakPolarHBondContact O-CG2 3.43Å; S698-V716 WeakPolarHBondContact OG-CG1 3.35Å
699	L	67.2	Low	71.7	Confident	113 Å²	113	93.1 Å²	93.1	59%	0.592	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-14.9	160	-71.1	163.1	0	0	0	112.9	H696 Q697 V716	H696-L699 WeakPolarHBondContact O-CB 3.47Å; H696-L699 PolarHBondContact O-N 2.68Å; Q697-L699 PolarHBondContact O-N 2.97Å; Q697-L699 VanDerWaalsContact O-N 3.16Å; L699-V716 HydrophobicContact CD2-CG2 3.43Å; L699-V716 VanDerWaalsContact CD2-CG2 3.43Å; L699-V716 HydrophobicContact CG-CG2 3.92Å
700	H	69.3	Low	71.5	Confident	65 Å²	65	94.6 Å²	94.6	30%	0.301	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-41.6	-179.6	-64.3	-65.4	0	0	0	112.2	C680 V682 C683 H696 Q697 S702	C680-H700 VanDerWaalsContact SG-CD2 3.54Å; V682-H700 HydrophobicContact CB-CB 4.16Å; V682-H700 HydrophobicContact CG1-CB 3.9Å; V682-H700 HydrophobicContact CG2-CB 4.27Å; C683-H700 PolarHBondContact SG-CE1 3.19Å; C683-H700 PolarHBondContact SG-NE2 3.1Å; H696-H700 AromaticContact CD2-NE2 3.77Å; H696-H700 AromaticContact CE1-CE1 3.93Å; H696-H700 AromaticContact CE1-NE2 3.22Å; H696-H700 PolarHBondContact CE1-NE2 2.93Å; H696-H700 AromaticContact NE2-CD2 3.85Å; H696-H700 AromaticContact NE2-CE1 3.91Å; H696-H700 AromaticContact NE2-NE2 2.95Å; H696-H700 PolarHBondContact NE2-NE2 2.94Å; H696-H700 PolarHBondContact O-CD2 3.29Å; Q697-H700 PolarHBondContact O-N 2.97Å; H700-S702 PolarHBondContact O-N 2.98Å
701	Q	64.6	Low	71.7	Confident	141 Å²	141	88.7 Å²	88.7	66%	0.659	44%	0.442	S	S	*	.	S	Bend	trans	-62.6	119.6	160.9	-73.7	174	-37.2	0	0	107.4	Q697 Q703	Q697-Q701 PolarHBondContact O-N 2.88Å; Q697-Q701 VanDerWaalsContact O-N 3.11Å; Q701-Q703 PolarHBondContact O-N 3Å
702	S	54.1	Low	71.7	Confident	112 Å²	112	88.6 Å²	88.6	78%	0.783	45%	0.451	S	S	*	.			trans	-70.7	11.3	-170.4	48	0	0	0	0	114.9	H700 K704	H700-S702 PolarHBondContact O-N 2.98Å; S702-K704 PolarHBondContact O-N 3.43Å
703	Q	56.3	Low	71.4	Confident	131 Å²	131	93.8 Å²	93.8	61%	0.612	47%	0.469	S	S	*	.			trans	-68.9	77.6	171.1	-72.2	-159.4	-5	0	0	111.5	Q701 Q705	Q701-Q703 PolarHBondContact O-N 3Å; Q703-Q705 HydrophobicContact CB-CG 4.04Å; Q703-Q705 PolarHBondContact O-N 3.26Å
704	K	55.9	Low	71.1	Confident	132 Å²	132	94.3 Å²	94.3	57%	0.574	48%	0.475	S	S	*	.			trans	-72	58.3	166.6	-72.5	170.4	155.2	-156.8	0	110.8	S702 F706 S714	S702-K704 PolarHBondContact O-N 3.43Å; K704-F706 PolarHBondContact O-N 3.49Å; K704-S714 WeakPolarHBondContact CD-OG 3.49Å; K704-S714 WeakPolarHBondContact CE-OG 3.5Å; K704-S714 PolarHBondContact NZ-OG 3.27Å
705	Q	62.1	Low	71	Confident	122 Å²	122	89 Å²	89	57%	0.57	45%	0.451	S	S	*	.			trans	-54.2	-21.2	-169	-65.2	178.5	-8.2	0	0	114.8	Q703	Q703-Q705 HydrophobicContact CB-CG 4.04Å; Q703-Q705 PolarHBondContact O-N 3.26Å
706	F	68.2	Low	70.9	Confident	52 Å²	52	85.9 Å²	85.9	23%	0.228	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	78.5	-177	-55.1	-72.8	0	0	0	110.8	K704 F715 T717 K718 L721	K704-F706 PolarHBondContact O-N 3.49Å; F706-F715 HydrophobicContact CB-CB 4.32Å; F706-F715 WeakPolarHBondContact CB-O 3.44Å; F706-F715 PolarHBondContact N-O 3.47Å; F706-F715 PolarHBondContact O-N 2.77Å; F706-T717 VanDerWaalsContact CD2-C 3.45Å; F706-K718 HydrophobicContact CD1-CB 3.93Å; F706-K718 HydrophobicContact CD1-CG 4.21Å; F706-K718 VanDerWaalsContact CD2-N 3.35Å; F706-K718 HydrophobicContact CE1-CB 3.71Å; F706-K718 HydrophobicContact CE1-CD 4.19Å; F706-K718 HydrophobicContact CE1-CG 4.07Å; F706-K718 HydrophobicContact CE2-CB 4.39Å; F706-K718 HydrophobicContact CG-CB 4.37Å; F706-K718 HydrophobicContact CZ-CB 3.96Å; F706-L721 HydrophobicContact CB-CB 3.84Å; F706-L721 HydrophobicContact CB-CD2 3.76Å; F706-L721 HydrophobicContact CB-CG 4.38Å; F706-L721 HydrophobicContact CD1-CD2 4.49Å
707	Q	74.9	Confident	70.7	Confident	124 Å²	124	87.3 Å²	87.3	58%	0.579	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	151.4	167.1	178.8	160.5	-39.9	0	0	110.8	L721	Q707-L721 WeakPolarHBondContact O-CD1 3.37Å; Q707-L721 VanDerWaalsContact O-CD2 3.3Å; Q707-L721 WeakPolarHBondContact O-CD2 3.42Å
708	C	81.1	Confident	70.7	Confident	1 Å²	1	91 Å²	91	1%	0.007	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.4	168.7	-173.2	0	0	0	0	110.1	L710 C711 K713 F715 L721 H728	C708-L710 PolarHBondContact O-N 2.87Å; C708-C711 PolarHBondContact O-N 3.44Å; C708-K713 PolarHBondContact N-O 2.92Å; C708-F715 HydrophobicContact CB-CE2 4.5Å; C708-L721 HydrophobicContact CB-CD1 3.7Å; C708-H728 VanDerWaalsContact SG-CD2 3.53Å; C708-H728 PolarHBondContact SG-NE2 2.93Å; C708-H728 VanDerWaalsContact SG-NE2 3.43Å
709	E	75.2	Confident	70.9	Confident	165 Å²	165	99.4 Å²	99.4	77%	0.771	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.4	175.3	-68.5	132.5	-146	0	0	111.9
710	L	74.7	Confident	71.4	Confident	107 Å²	107	95.7 Å²	95.7	56%	0.56	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.6	-174.4	-58.4	176	0	0	0	114.5	C708 M725 H728	C708-L710 PolarHBondContact O-N 2.87Å; L710-M725 HydrophobicContact CD1-CE 4Å; L710-M725 HydrophobicContact CG-CE 4.18Å; L710-H728 HydrophobicContact CB-CB 4.33Å; L710-H728 HydrophobicContact CD1-CB 3.57Å
711	C	81.6	Confident	71.9	Confident	37 Å²	37	93.6 Å²	93.6	25%	0.25	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	161.7	164.7	73.6	0	0	0	0	113.4	C708 K713 H724	C708-C711 PolarHBondContact O-N 3.44Å; C711-K713 PolarHBondContact O-N 2.96Å; C711-H724 PolarHBondContact SG-NE2 3.49Å
712	V	76.3	Confident	72.5	Confident	134 Å²	134	92.6 Å²	92.6	81%	0.812	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	4.9	-179.2	-151.8	0	0	0	0	115.9
713	K	74.2	Confident	73.6	Confident	124 Å²	124	89.8 Å²	89.8	54%	0.539	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.6	176.8	-67.2	174	-174.1	158.3	0	111	C708 C711 F715	C708-K713 PolarHBondContact N-O 2.92Å; C711-K713 PolarHBondContact O-N 2.96Å; K713-F715 HydrophobicContact CB-CE2 3.63Å; K713-F715 HydrophobicContact CB-CZ 3.8Å
714	S	75.6	Confident	74.8	Confident	33 Å²	33	84.2 Å²	84.2	23%	0.231	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.2	-174.3	5.1	0	0	0	0	109.9	K704	K704-S714 WeakPolarHBondContact CD-OG 3.49Å; K704-S714 WeakPolarHBondContact CE-OG 3.5Å; K704-S714 PolarHBondContact NZ-OG 3.27Å
715	F	78.4	Confident	75.7	Confident	44 Å²	44	79.7 Å²	79.7	19%	0.193	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.6	-168.4	-60.4	-91.2	0	0	0	111.9	F706 C708 K713 L721 H724	F706-F715 HydrophobicContact CB-CB 4.32Å; F706-F715 WeakPolarHBondContact CB-O 3.44Å; F706-F715 PolarHBondContact N-O 3.47Å; F706-F715 PolarHBondContact O-N 2.77Å; C708-F715 HydrophobicContact CB-CE2 4.5Å; K713-F715 HydrophobicContact CB-CE2 3.63Å; K713-F715 HydrophobicContact CB-CZ 3.8Å; F715-L721 HydrophobicContact CB-CB 4.3Å; F715-L721 HydrophobicContact CD2-CB 4.31Å; F715-L721 HydrophobicContact CD2-CD1 4Å; F715-L721 HydrophobicContact CE2-CD1 4.39Å; F715-L721 HydrophobicContact CG-CB 4.45Å; F715-H724 HydrophobicContact CE1-CB 4Å; F715-H724 HydrophobicContact CE2-CB 3.95Å; F715-H724 AromaticContact CE2-CD2 3.19Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.25Å; F715-H724 AromaticContact CE2-CG 3.72Å; F715-H724 HydrophobicContact CZ-CB 3.55Å; F715-H724 AromaticContact CZ-CD2 3.28Å; F715-H724 WeakPolarHBondContact CZ-CD2 3.47Å; F715-H724 AromaticContact CZ-CG 3.35Å
716	V	73.9	Confident	76.3	Confident	36 Å²	36	74.4 Å²	74.4	22%	0.218	36%	0.364	C	S	.	.	S	Bend	trans	-85.3	-16.1	-179.1	174	0	0	0	0	112.6	S698 L699	S698-V716 VanDerWaalsContact O-CG2 3.27Å; S698-V716 WeakPolarHBondContact O-CG2 3.43Å; S698-V716 WeakPolarHBondContact OG-CG1 3.35Å; L699-V716 HydrophobicContact CD2-CG2 3.43Å; L699-V716 VanDerWaalsContact CD2-CG2 3.43Å; L699-V716 HydrophobicContact CG-CG2 3.92Å
717	T	73.8	Confident	76.6	Confident	47 Å²	47	76.7 Å²	76.7	29%	0.288	38%	0.377	S	S	.	.	S	Bend	trans	-136.2	142.7	177.3	78.9	0	0	0	0	112.4	L695 F706 R719 S720 L721	L695-T717 HydrophobicContact CD1-CG2 3.84Å; F706-T717 VanDerWaalsContact CD2-C 3.45Å; T717-R719 PolarHBondContact O-N 3.11Å; T717-S720 PolarHBondContact N-OG 3.12Å; T717-S720 PolarHBondContact O-N 3.3Å; T717-S720 PolarHBondContact O-OG 2.94Å; T717-S720 PolarHBondContact OG1-N 2.8Å; T717-S720 VanDerWaalsContact OG1-N 3.12Å; T717-S720 PolarHBondContact OG1-OG 3.02Å; T717-L721 PolarHBondContact O-N 2.79Å
718	K	76.8	Confident	76.6	Confident	156 Å²	156	74.3 Å²	74.3	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-53.9	-34.4	173.1	-165.1	167.5	-176.6	169.9	0	112.4	F706 L721 Q722	F706-K718 HydrophobicContact CD1-CB 3.93Å; F706-K718 HydrophobicContact CD1-CG 4.21Å; F706-K718 VanDerWaalsContact CD2-N 3.35Å; F706-K718 HydrophobicContact CE1-CB 3.71Å; F706-K718 HydrophobicContact CE1-CD 4.19Å; F706-K718 HydrophobicContact CE1-CG 4.07Å; F706-K718 HydrophobicContact CE2-CB 4.39Å; F706-K718 HydrophobicContact CG-CB 4.37Å; F706-K718 HydrophobicContact CZ-CB 3.96Å; K718-L721 PolarHBondContact O-N 3.36Å; K718-Q722 WeakPolarHBondContact O-CB 3.06Å; K718-Q722 PolarHBondContact O-N 3.41Å
719	R	74.6	Confident	76	Confident	211 Å²	211	77.7 Å²	77.7	80%	0.796	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-45	174.5	-173.6	-175.3	-66.4	166.1	0.7	112.4	T717 Q722 E723	T717-R719 PolarHBondContact O-N 3.11Å; R719-Q722 PolarHBondContact O-N 3.44Å; R719-E723 PolarHBondContact O-N 3.25Å
720	S	77.8	Confident	75.6	Confident	36 Å²	36	72.2 Å²	72.2	25%	0.252	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-32.5	177.2	45.5	0	0	0	0	113	T717 H724	T717-S720 PolarHBondContact N-OG 3.12Å; T717-S720 PolarHBondContact O-N 3.3Å; T717-S720 PolarHBondContact O-OG 2.94Å; T717-S720 PolarHBondContact OG1-N 2.8Å; T717-S720 VanDerWaalsContact OG1-N 3.12Å; T717-S720 PolarHBondContact OG1-OG 3.02Å; S720-H724 WeakPolarHBondContact O-CB 3.32Å; S720-H724 PolarHBondContact O-N 3.45Å; S720-H724 VanDerWaalsContact O-N 3.08Å
721	L	80.8	Confident	75.2	Confident	21 Å²	21	73.1 Å²	73.1	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-51.4	169.6	173.4	62	0	0	0	110.7	F706 Q707 C708 F715 T717 K718 E723 H724 M725	F706-L721 HydrophobicContact CB-CB 3.84Å; F706-L721 HydrophobicContact CB-CD2 3.76Å; F706-L721 HydrophobicContact CB-CG 4.38Å; F706-L721 HydrophobicContact CD1-CD2 4.49Å; Q707-L721 WeakPolarHBondContact O-CD1 3.37Å; Q707-L721 VanDerWaalsContact O-CD2 3.3Å; Q707-L721 WeakPolarHBondContact O-CD2 3.42Å; C708-L721 HydrophobicContact CB-CD1 3.7Å; F715-L721 HydrophobicContact CB-CB 4.3Å; F715-L721 HydrophobicContact CD2-CB 4.31Å; F715-L721 HydrophobicContact CD2-CD1 4Å; F715-L721 HydrophobicContact CE2-CD1 4.39Å; F715-L721 HydrophobicContact CG-CB 4.45Å; T717-L721 PolarHBondContact O-N 2.79Å; K718-L721 PolarHBondContact O-N 3.36Å; L721-E723 VanDerWaalsContact C-N 3.29Å; L721-E723 PolarHBondContact O-N 2.83Å; L721-H724 CarbonylContact O-C 3.59Å; L721-H724 WeakPolarHBondContact O-CA 3.33Å; L721-H724 WeakPolarHBondContact O-CB 3.21Å; L721-H724 PolarHBondContact O-N 2.91Å; L721-M725 HydrophobicContact CD1-CG 3.7Å; L721-M725 HydrophobicContact CD1-SD 4.1Å; L721-M725 HydrophobicContact CG-CG 4.09Å; L721-M725 HydrophobicContact CG-SD 4.33Å; L721-M725 WeakPolarHBondContact O-CG 3.33Å; L721-M725 PolarHBondContact O-N 3.35Å
722	Q	76.3	Confident	74.3	Confident	120 Å²	120	72.4 Å²	72.4	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-59	-39	-178.6	-169.1	-177.3	35.6	0	0	112.4	K718 R719 M725 S726	K718-Q722 WeakPolarHBondContact O-CB 3.06Å; K718-Q722 PolarHBondContact O-N 3.41Å; R719-Q722 PolarHBondContact O-N 3.44Å; Q722-M725 PolarHBondContact O-N 3.32Å; Q722-S726 PolarHBondContact O-N 3.05Å
723	E	76.8	Confident	74.1	Confident	53 Å²	53	72.8 Å²	72.8	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-44.6	171.9	-170.4	-163.1	145.8	0	0	111.6	R719 L721 M725 S726 H744 R745	R719-E723 PolarHBondContact O-N 3.25Å; L721-E723 VanDerWaalsContact C-N 3.29Å; L721-E723 PolarHBondContact O-N 2.83Å; E723-M725 PolarHBondContact O-N 3.07Å; E723-S726 PolarHBondContact O-N 2.88Å; E723-S726 PolarHBondContact O-OG 3.07Å; E723-H744 HydrophobicContact CG-CB 4.26Å; E723-R745 VanDerWaalsContact CD-NH2 3.26Å; E723-R745 HydrophobicContact CG-CG 4.33Å; E723-R745 WeakPolarHBondContact OE1-CG 3.44Å; E723-R745 IonicContact OE1-CZ 2.73Å; E723-R745 IonicContact OE1-NE 2.73Å; E723-R745 PolarHBondContact OE1-NE 3.13Å; E723-R745 IonicContact OE1-NH2 3.94Å; E723-R745 PolarHBondContact OE1-NH2 2.9Å; E723-R745 IonicContact OE2-CZ 3.13Å; E723-R745 IonicContact OE2-NE 3.16Å; E723-R745 PolarHBondContact OE2-NE 2.84Å; E723-R745 IonicContact OE2-NH2 3.34Å; E723-R745 PolarHBondContact OE2-NH2 2.99Å
724	H	81.3	Confident	74	Confident	13 Å²	13	71.5 Å²	71.5	6%	0.06	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-39.9	176.8	175.9	40.7	0	0	0	112.6	C711 F715 S720 L721 S726 I727 H728	C711-H724 PolarHBondContact SG-NE2 3.49Å; F715-H724 HydrophobicContact CE1-CB 4Å; F715-H724 HydrophobicContact CE2-CB 3.95Å; F715-H724 AromaticContact CE2-CD2 3.19Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.25Å; F715-H724 AromaticContact CE2-CG 3.72Å; F715-H724 HydrophobicContact CZ-CB 3.55Å; F715-H724 AromaticContact CZ-CD2 3.28Å; F715-H724 WeakPolarHBondContact CZ-CD2 3.47Å; F715-H724 AromaticContact CZ-CG 3.35Å; S720-H724 WeakPolarHBondContact O-CB 3.32Å; S720-H724 PolarHBondContact O-N 3.45Å; S720-H724 VanDerWaalsContact O-N 3.08Å; L721-H724 CarbonylContact O-C 3.59Å; L721-H724 WeakPolarHBondContact O-CA 3.33Å; L721-H724 WeakPolarHBondContact O-CB 3.21Å; L721-H724 PolarHBondContact O-N 2.91Å; H724-S726 VanDerWaalsContact C-N 3.25Å; H724-S726 PolarHBondContact O-N 2.83Å; H724-I727 WeakPolarHBondContact O-CB 3.47Å; H724-I727 WeakPolarHBondContact O-CG1 3.42Å; H724-I727 PolarHBondContact O-N 3.28Å; H724-H728 AromaticContact CE1-CD2 3.89Å; H724-H728 AromaticContact CE1-CE1 3.97Å; H724-H728 AromaticContact CE1-NE2 3.27Å; H724-H728 PolarHBondContact CE1-NE2 2.99Å; H724-H728 VanDerWaalsContact CE1-NE2 3.27Å; H724-H728 AromaticContact NE2-CD2 3.85Å; H724-H728 AromaticContact NE2-NE2 3.11Å; H724-H728 PolarHBondContact NE2-NE2 3.16Å; H724-H728 VanDerWaalsContact NE2-NE2 3.11Å
725	M	75.5	Confident	74.2	Confident	38 Å²	38	75.1 Å²	75.1	19%	0.187	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-32.3	178.6	-65.9	-146.6	69.3	0	0	112.3	L710 L721 Q722 E723 I727 H728 T729	L710-M725 HydrophobicContact CD1-CE 4Å; L710-M725 HydrophobicContact CG-CE 4.18Å; L721-M725 HydrophobicContact CD1-CG 3.7Å; L721-M725 HydrophobicContact CD1-SD 4.1Å; L721-M725 HydrophobicContact CG-CG 4.09Å; L721-M725 HydrophobicContact CG-SD 4.33Å; L721-M725 WeakPolarHBondContact O-CG 3.33Å; L721-M725 PolarHBondContact O-N 3.35Å; Q722-M725 PolarHBondContact O-N 3.32Å; E723-M725 PolarHBondContact O-N 3.07Å; M725-I727 PolarHBondContact O-N 3.21Å; M725-I727 VanDerWaalsContact O-N 3.09Å; M725-H728 WeakPolarHBondContact O-CA 3.28Å; M725-H728 PolarHBondContact O-N 3.41Å; M725-T729 PolarHBondContact O-N 2.8Å
726	S	74.6	Confident	74.4	Confident	10 Å²	10	73.1 Å²	73.1	7%	0.07	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-12.4	172.5	76.2	0	0	0	0	114.6	Q722 E723 H724 G730 H744	Q722-S726 PolarHBondContact O-N 3.05Å; E723-S726 PolarHBondContact O-N 2.88Å; E723-S726 PolarHBondContact O-OG 3.07Å; H724-S726 VanDerWaalsContact C-N 3.25Å; H724-S726 PolarHBondContact O-N 2.83Å; S726-G730 CarbonylContact O-C 3.33Å; S726-G730 WeakPolarHBondContact O-CA 3.44Å; S726-G730 PolarHBondContact O-N 3.03Å; S726-H744 PolarHBondContact O-CE1 3.26Å; S726-H744 PolarHBondContact O-ND1 2.89Å; S726-H744 WeakPolarHBondContact OG-CB 3.29Å; S726-H744 PolarHBondContact OG-ND1 3.27Å
727	I	74.9	Confident	74.5	Confident	100 Å²	100	76.8 Å²	76.8	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-77.9	-30.6	170.2	-52.4	177.9	0	0	0	110.8	H724 M725	H724-I727 WeakPolarHBondContact O-CB 3.47Å; H724-I727 WeakPolarHBondContact O-CG1 3.42Å; H724-I727 PolarHBondContact O-N 3.28Å; M725-I727 PolarHBondContact O-N 3.21Å; M725-I727 VanDerWaalsContact O-N 3.09Å
728	H	74.4	Confident	74.5	Confident	75 Å²	75	79.1 Å²	79.1	35%	0.347	40%	0.404	S	S	.	.	H	α-helix	trans	-85.9	-42.8	177.5	-60.8	-68.9	0	0	0	112.1	C708 L710 H724 M725 G730	C708-H728 VanDerWaalsContact SG-CD2 3.53Å; C708-H728 PolarHBondContact SG-NE2 2.93Å; C708-H728 VanDerWaalsContact SG-NE2 3.43Å; L710-H728 HydrophobicContact CB-CB 4.33Å; L710-H728 HydrophobicContact CD1-CB 3.57Å; H724-H728 AromaticContact CE1-CD2 3.89Å; H724-H728 AromaticContact CE1-CE1 3.97Å; H724-H728 AromaticContact CE1-NE2 3.27Å; H724-H728 PolarHBondContact CE1-NE2 2.99Å; H724-H728 VanDerWaalsContact CE1-NE2 3.27Å; H724-H728 AromaticContact NE2-CD2 3.85Å; H724-H728 AromaticContact NE2-NE2 3.11Å; H724-H728 PolarHBondContact NE2-NE2 3.16Å; H724-H728 VanDerWaalsContact NE2-NE2 3.11Å; M725-H728 WeakPolarHBondContact O-CA 3.28Å; M725-H728 PolarHBondContact O-N 3.41Å; H728-G730 VanDerWaalsContact C-N 3.26Å; H728-G730 PolarHBondContact O-N 2.95Å
729	T	69.8	Low	74.6	Confident	72 Å²	72	74 Å²	74	44%	0.442	39%	0.387	S	S	.	.	S	Bend	trans	-76.2	-13.6	176.9	66.6	0	0	0	0	113.2	M725 E731	M725-T729 PolarHBondContact O-N 2.8Å; T729-E731 WeakPolarHBondContact CB-OE2 3.03Å; T729-E731 PolarHBondContact O-N 3.12Å; T729-E731 WeakPolarHBondContact OG1-CB 3.23Å; T729-E731 WeakPolarHBondContact OG1-CG 3.24Å; T729-E731 PolarHBondContact OG1-N 3.14Å; T729-E731 PolarHBondContact OG1-OE2 3.05Å
730	G	65.6	Low	74.7	Confident	50 Å²	50	66.8 Å²	66.8	52%	0.515	38%	0.378	S	S	.	.			trans	72.7	-4.3	-175.3	0	0	0	0	0	114.7	S726 H728 S732	S726-G730 CarbonylContact O-C 3.33Å; S726-G730 WeakPolarHBondContact O-CA 3.44Å; S726-G730 PolarHBondContact O-N 3.03Å; H728-G730 VanDerWaalsContact C-N 3.26Å; H728-G730 PolarHBondContact O-N 2.95Å; G730-S732 PolarHBondContact O-N 3.09Å
731	E	66.1	Low	74.6	Confident	125 Å²	125	70.8 Å²	70.8	58%	0.584	39%	0.39	S	S	*	.			trans	-71.3	80.4	-173.1	-64	174.2	121	0	0	113	T729 K733	T729-E731 WeakPolarHBondContact CB-OE2 3.03Å; T729-E731 PolarHBondContact O-N 3.12Å; T729-E731 WeakPolarHBondContact OG1-CB 3.23Å; T729-E731 WeakPolarHBondContact OG1-CG 3.24Å; T729-E731 PolarHBondContact OG1-N 3.14Å; T729-E731 PolarHBondContact OG1-OE2 3.05Å; E731-K733 PolarHBondContact O-N 3.09Å; E731-K733 VanDerWaalsContact O-N 3.08Å
732	S	63.4	Low	74.4	Confident	22 Å²	22	73.2 Å²	73.2	15%	0.154	41%	0.409	C	S	.	.			trans	-72.5	103.9	173.2	63.4	0	0	0	0	111.6	G730 Y734 L735 S742 F743	G730-S732 PolarHBondContact O-N 3.09Å; S732-Y734 PolarHBondContact O-N 2.96Å; S732-L735 WeakPolarHBondContact OG-CD2 3.38Å; S732-S742 VanDerWaalsContact CB-CB 3.43Å; S732-S742 WeakPolarHBondContact OG-CB 3.32Å; S732-F743 WeakPolarHBondContact CB-O 3.4Å
733	K	71.1	Confident	74.6	Confident	142 Å²	142	69.8 Å²	69.8	62%	0.617	39%	0.393	S	S	*	.	S	Bend	trans	-63.5	-4.8	173.9	-56.9	-169.6	179.7	-169.6	0	114.3	E731	E731-K733 PolarHBondContact O-N 3.09Å; E731-K733 VanDerWaalsContact O-N 3.08Å
734	Y	73.1	Confident	74.5	Confident	97 Å²	97	70.4 Å²	70.4	38%	0.38	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	97.7	-178.4	-55.8	-78.1	0	0	0	110.7	S732 F743 R745 G746	S732-Y734 PolarHBondContact O-N 2.96Å; Y734-F743 WeakPolarHBondContact CB-O 3.44Å; Y734-F743 PolarHBondContact N-O 2.97Å; Y734-F743 PolarHBondContact O-N 2.89Å; Y734-R745 VanDerWaalsContact CD2-C 3.44Å; Y734-G746 VanDerWaalsContact CE2-N 3.26Å
735	L	78.9	Confident	74.3	Confident	110 Å²	110	76.2 Å²	76.2	58%	0.576	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	146	175.5	-66.8	169.6	0	0	0	111.4	S732 L749	S732-L735 WeakPolarHBondContact OG-CD2 3.38Å; L735-L749 VanDerWaalsContact O-CD2 3.29Å; L735-L749 WeakPolarHBondContact O-CD2 3.37Å
736	C	83.7	Confident	74.4	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.007	42%	0.421	C	S	.	.			trans	-93.4	104.5	175.9	-174.1	0	0	0	0	112.1	V738 C739 G740 K741 F743 L749 H752 H756	C736-V738 PolarHBondContact O-N 3.2Å; C736-C739 PolarHBondContact O-N 3.15Å; C736-G740 WeakPolarHBondContact O-CA 3.34Å; C736-G740 PolarHBondContact O-N 3.3Å; C736-K741 HydrophobicContact CB-CB 4.44Å; C736-K741 WeakPolarHBondContact CB-O 3.5Å; C736-K741 PolarHBondContact N-O 2.93Å; C736-F743 HydrophobicContact CB-CE2 4.21Å; C736-L749 HydrophobicContact CB-CD1 3.53Å; C736-H752 VanDerWaalsContact SG-CD2 3.5Å; C736-H756 PolarHBondContact SG-CD2 3.41Å; C736-H756 PolarHBondContact SG-NE2 2.95Å
737	S	74.9	Confident	74.6	Confident	113 Å²	113	78.8 Å²	78.8	79%	0.79	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.5	-177.5	-41.6	0	0	0	0	114.5
738	V	73.9	Confident	74.9	Confident	97 Å²	97	75.2 Å²	75.2	59%	0.588	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.8	-177.2	179.7	0	0	0	0	113.4	C736 F753 H756	C736-V738 PolarHBondContact O-N 3.2Å; V738-F753 HydrophobicContact CG2-CE1 4.19Å; V738-H756 HydrophobicContact CB-CB 4.28Å; V738-H756 HydrophobicContact CG1-CB 4.02Å; V738-H756 HydrophobicContact CG2-CB 4.32Å
739	C	79.1	Confident	75.2	Confident	49 Å²	49	72.5 Å²	72.5	33%	0.331	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	18.4	-173.6	77.3	0	0	0	0	115.7	C736 K741 H752 H756	C736-C739 PolarHBondContact O-N 3.15Å; C739-K741 PolarHBondContact O-N 3.36Å; C739-H752 PolarHBondContact SG-NE2 2.9Å; C739-H756 VanDerWaalsContact SG-CE1 3.51Å; C739-H756 PolarHBondContact SG-NE2 3.32Å
740	G	76.1	Confident	75.7	Confident	58 Å²	58	72.3 Å²	72.3	60%	0.598	42%	0.42	S	S	*	.			trans	66.5	-7.5	178.7	0	0	0	0	0	116.9	C736 S742	C736-G740 WeakPolarHBondContact O-CA 3.34Å; C736-G740 PolarHBondContact O-N 3.3Å; G740-S742 PolarHBondContact O-N 3.07Å
741	K	77.3	Confident	76.4	Confident	120 Å²	120	77.7 Å²	77.7	52%	0.522	43%	0.429	S	S	.	.			trans	-66.7	133.1	-169.6	-74.6	172.5	-172.4	157.7	0	112.4	C736 C739 F743	C736-K741 HydrophobicContact CB-CB 4.44Å; C736-K741 WeakPolarHBondContact CB-O 3.5Å; C736-K741 PolarHBondContact N-O 2.93Å; C739-K741 PolarHBondContact O-N 3.36Å; K741-F743 HydrophobicContact CB-CE2 3.77Å; K741-F743 HydrophobicContact CB-CZ 4.16Å; K741-F743 VanDerWaalsContact O-CD2 3.32Å; K741-F743 WeakPolarHBondContact O-CD2 3.27Å; K741-F743 VanDerWaalsContact O-CE2 3.28Å; K741-F743 WeakPolarHBondContact O-CE2 3.3Å
742	S	76.8	Confident	77.1	Confident	72 Å²	72	73 Å²	73	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.7	-174.9	37.1	0	0	0	0	112.7	S732 G740	S732-S742 VanDerWaalsContact CB-CB 3.43Å; S732-S742 WeakPolarHBondContact OG-CB 3.32Å; G740-S742 PolarHBondContact O-N 3.07Å
743	F	79.4	Confident	77.7	Confident	48 Å²	48	75.1 Å²	75.1	21%	0.211	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.9	176.7	-61	-90	0	0	0	112.1	S732 Y734 C736 K741 R745 L749 H752	S732-F743 WeakPolarHBondContact CB-O 3.4Å; Y734-F743 WeakPolarHBondContact CB-O 3.44Å; Y734-F743 PolarHBondContact N-O 2.97Å; Y734-F743 PolarHBondContact O-N 2.89Å; C736-F743 HydrophobicContact CB-CE2 4.21Å; K741-F743 HydrophobicContact CB-CE2 3.77Å; K741-F743 HydrophobicContact CB-CZ 4.16Å; K741-F743 VanDerWaalsContact O-CD2 3.32Å; K741-F743 WeakPolarHBondContact O-CD2 3.27Å; K741-F743 VanDerWaalsContact O-CE2 3.28Å; K741-F743 WeakPolarHBondContact O-CE2 3.3Å; F743-R745 VanDerWaalsContact C-N 3.34Å; F743-L749 HydrophobicContact CB-CB 4.18Å; F743-L749 HydrophobicContact CD2-CB 4.12Å; F743-L749 HydrophobicContact CD2-CD1 3.87Å; F743-L749 HydrophobicContact CE2-CD1 4.18Å; F743-L749 HydrophobicContact CG-CB 4.2Å; F743-H752 HydrophobicContact CE1-CB 4.03Å; F743-H752 HydrophobicContact CE2-CB 4.02Å; F743-H752 AromaticContact CE2-CD2 3.21Å; F743-H752 WeakPolarHBondContact CE2-CD2 3.29Å; F743-H752 AromaticContact CE2-CG 3.79Å; F743-H752 HydrophobicContact CZ-CB 3.57Å; F743-H752 AromaticContact CZ-CD2 3.22Å; F743-H752 WeakPolarHBondContact CZ-CD2 3.45Å; F743-H752 AromaticContact CZ-CG 3.36Å; F743-H752 AromaticContact CZ-NE2 3.91Å
744	H	74.2	Confident	78	Confident	66 Å²	66	75.7 Å²	75.7	31%	0.306	42%	0.416	S	S	.	.	S	Bend	trans	-80.5	-14.4	176.2	-50.4	-73.3	0	0	0	113.1	E723 S726	E723-H744 HydrophobicContact CG-CB 4.26Å; S726-H744 PolarHBondContact O-CE1 3.26Å; S726-H744 PolarHBondContact O-ND1 2.89Å; S726-H744 WeakPolarHBondContact OG-CB 3.29Å; S726-H744 PolarHBondContact OG-ND1 3.27Å
745	R	77.9	Confident	77.9	Confident	136 Å²	136	79 Å²	79	51%	0.513	43%	0.433	S	S	.	.			trans	-127.1	133.4	175.7	-70.5	-173.5	174.3	148.4	16.9	111.9	E723 Y734 F743 S747 G748 L749	E723-R745 VanDerWaalsContact CD-NH2 3.26Å; E723-R745 HydrophobicContact CG-CG 4.33Å; E723-R745 WeakPolarHBondContact OE1-CG 3.44Å; E723-R745 IonicContact OE1-CZ 2.73Å; E723-R745 IonicContact OE1-NE 2.73Å; E723-R745 PolarHBondContact OE1-NE 3.13Å; E723-R745 IonicContact OE1-NH2 3.94Å; E723-R745 PolarHBondContact OE1-NH2 2.9Å; E723-R745 IonicContact OE2-CZ 3.13Å; E723-R745 IonicContact OE2-NE 3.16Å; E723-R745 PolarHBondContact OE2-NE 2.84Å; E723-R745 IonicContact OE2-NH2 3.34Å; E723-R745 PolarHBondContact OE2-NH2 2.99Å; Y734-R745 VanDerWaalsContact CD2-C 3.44Å; F743-R745 VanDerWaalsContact C-N 3.34Å; R745-S747 PolarHBondContact O-N 2.9Å; R745-G748 WeakPolarHBondContact O-CA 3.22Å; R745-G748 PolarHBondContact O-N 3.16Å; R745-L749 PolarHBondContact O-N 3.08Å
746	G	78.3	Confident	77.5	Confident	26 Å²	26	76.7 Å²	76.7	27%	0.268	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-28.5	170.4	0	0	0	0	0	113.6	Y734 G748 L749 S750	Y734-G746 VanDerWaalsContact CE2-N 3.26Å; G746-G748 VanDerWaalsContact C-N 3.31Å; G746-L749 PolarHBondContact O-N 3.36Å; G746-S750 WeakPolarHBondContact O-CB 3.39Å; G746-S750 PolarHBondContact O-N 3.34Å
747	S	78.9	Confident	76.6	Confident	75 Å²	75	82.3 Å²	82.3	52%	0.524	45%	0.445	S	S	.	.	H	α-helix	trans	-70.9	-25.3	171.3	65	0	0	0	0	113.5	R745 K751	R745-S747 PolarHBondContact O-N 2.9Å; S747-K751 WeakPolarHBondContact O-CG 3.17Å; S747-K751 PolarHBondContact O-N 3.33Å
748	G	80.9	Confident	75.8	Confident	25 Å²	25	82.7 Å²	82.7	26%	0.258	45%	0.445	S	S	.	.	H	α-helix	trans	-73.1	-48.8	170.8	0	0	0	0	0	110.5	R745 G746 S750 K751 H752	R745-G748 WeakPolarHBondContact O-CA 3.22Å; R745-G748 PolarHBondContact O-N 3.16Å; G746-G748 VanDerWaalsContact C-N 3.31Å; G748-S750 PolarHBondContact O-N 3.24Å; G748-K751 PolarHBondContact O-N 3.11Å; G748-H752 PolarHBondContact O-N 3.31Å
749	L	80.4	Confident	74.8	Confident	19 Å²	19	85.6 Å²	85.6	10%	0.099	45%	0.449	C	S	.	.	H	α-helix	trans	-58.3	-44.1	174.4	177.4	58.7	0	0	0	112.2	L735 C736 F743 R745 G746 K751 H752 F753	L735-L749 VanDerWaalsContact O-CD2 3.29Å; L735-L749 WeakPolarHBondContact O-CD2 3.37Å; C736-L749 HydrophobicContact CB-CD1 3.53Å; F743-L749 HydrophobicContact CB-CB 4.18Å; F743-L749 HydrophobicContact CD2-CB 4.12Å; F743-L749 HydrophobicContact CD2-CD1 3.87Å; F743-L749 HydrophobicContact CE2-CD1 4.18Å; F743-L749 HydrophobicContact CG-CB 4.2Å; R745-L749 PolarHBondContact O-N 3.08Å; G746-L749 PolarHBondContact O-N 3.36Å; L749-K751 PolarHBondContact O-N 3.33Å; L749-H752 CarbonylContact O-C 3.33Å; L749-H752 WeakPolarHBondContact O-CA 3.16Å; L749-H752 WeakPolarHBondContact O-CB 3.4Å; L749-H752 PolarHBondContact O-N 3.49Å; L749-F753 HydrophobicContact CD1-CD2 3.73Å; L749-F753 HydrophobicContact CD1-CE2 3.51Å; L749-F753 HydrophobicContact CD1-CG 4.48Å; L749-F753 HydrophobicContact CD1-CZ 4.09Å; L749-F753 HydrophobicContact CD2-CD2 4.41Å; L749-F753 HydrophobicContact CD2-CE2 3.77Å; L749-F753 HydrophobicContact CG-CD2 3.7Å; L749-F753 HydrophobicContact CG-CE2 3.53Å; L749-F753 PolarHBondContact O-N 3.11Å
750	S	79.5	Confident	73.6	Confident	68 Å²	68	87.7 Å²	87.7	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-42.7	176.5	176.3	0	0	0	0	112.7	G746 G748 H752 F753 K754	G746-S750 WeakPolarHBondContact O-CB 3.39Å; G746-S750 PolarHBondContact O-N 3.34Å; G748-S750 PolarHBondContact O-N 3.24Å; S750-H752 PolarHBondContact O-N 3.06Å; S750-F753 PolarHBondContact O-N 2.92Å; S750-K754 PolarHBondContact O-N 3.38Å
751	K	79.9	Confident	72.7	Confident	162 Å²	162	93.7 Å²	93.7	70%	0.704	48%	0.475	S	S	*	.	H	α-helix	trans	-66.3	-21.1	172.2	-75.3	-177.2	177.6	-170.8	0	113.4	S747 G748 L749	S747-K751 WeakPolarHBondContact O-CG 3.17Å; S747-K751 PolarHBondContact O-N 3.33Å; G748-K751 PolarHBondContact O-N 3.11Å; L749-K751 PolarHBondContact O-N 3.33Å
752	H	81.4	Confident	71.8	Confident	26 Å²	26	93.8 Å²	93.8	12%	0.12	49%	0.485	C	S	.	.	H	α-helix	trans	-84.8	-41.5	175.5	-177.4	44.2	0	0	0	112.5	C736 C739 F743 G748 L749 S750 K754 K755 H756	C736-H752 VanDerWaalsContact SG-CD2 3.5Å; C739-H752 PolarHBondContact SG-NE2 2.9Å; F743-H752 HydrophobicContact CE1-CB 4.03Å; F743-H752 HydrophobicContact CE2-CB 4.02Å; F743-H752 AromaticContact CE2-CD2 3.21Å; F743-H752 WeakPolarHBondContact CE2-CD2 3.29Å; F743-H752 AromaticContact CE2-CG 3.79Å; F743-H752 HydrophobicContact CZ-CB 3.57Å; F743-H752 AromaticContact CZ-CD2 3.22Å; F743-H752 WeakPolarHBondContact CZ-CD2 3.45Å; F743-H752 AromaticContact CZ-CG 3.36Å; F743-H752 AromaticContact CZ-NE2 3.91Å; G748-H752 PolarHBondContact O-N 3.31Å; L749-H752 CarbonylContact O-C 3.33Å; L749-H752 WeakPolarHBondContact O-CA 3.16Å; L749-H752 WeakPolarHBondContact O-CB 3.4Å; L749-H752 PolarHBondContact O-N 3.49Å; S750-H752 PolarHBondContact O-N 3.06Å; H752-K754 PolarHBondContact O-N 2.95Å; H752-K755 WeakPolarHBondContact O-CA 3.45Å; H752-K755 WeakPolarHBondContact O-CB 3.5Å; H752-K755 PolarHBondContact O-N 3.22Å; H752-H756 AromaticContact CD2-NE2 3.62Å; H752-H756 AromaticContact CE1-CE1 3.78Å; H752-H756 AromaticContact CE1-NE2 3.18Å; H752-H756 PolarHBondContact CE1-NE2 3.48Å; H752-H756 AromaticContact ND1-NE2 3.92Å; H752-H756 AromaticContact NE2-CD2 3.89Å; H752-H756 AromaticContact NE2-CE1 3.87Å; H752-H756 AromaticContact NE2-NE2 2.98Å; H752-H756 PolarHBondContact NE2-NE2 3.3Å
753	F	76.6	Confident	71	Confident	68 Å²	68	96.5 Å²	96.5	30%	0.298	48%	0.484	S	S	.	.	H	α-helix	trans	-58	-33.9	171.9	-84.4	-57	0	0	0	112.2	V738 L749 S750 K755 H756 Q757	V738-F753 HydrophobicContact CG2-CE1 4.19Å; L749-F753 HydrophobicContact CD1-CD2 3.73Å; L749-F753 HydrophobicContact CD1-CE2 3.51Å; L749-F753 HydrophobicContact CD1-CG 4.48Å; L749-F753 HydrophobicContact CD1-CZ 4.09Å; L749-F753 HydrophobicContact CD2-CD2 4.41Å; L749-F753 HydrophobicContact CD2-CE2 3.77Å; L749-F753 HydrophobicContact CG-CD2 3.7Å; L749-F753 HydrophobicContact CG-CE2 3.53Å; L749-F753 PolarHBondContact O-N 3.11Å; S750-F753 PolarHBondContact O-N 2.92Å; F753-K755 PolarHBondContact O-N 3.34Å; F753-H756 PolarHBondContact O-N 3.32Å; F753-Q757 PolarHBondContact O-N 3.04Å
754	K	77.1	Confident	70.4	Confident	153 Å²	153	96.8 Å²	96.8	67%	0.665	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	0.3	169.1	-72	-159.2	169	-136.9	0	115.6	S750 H752	S750-K754 PolarHBondContact O-N 3.38Å; H752-K754 PolarHBondContact O-N 2.95Å
755	K	70.3	Confident	70.3	Confident	167 Å²	167	98.6 Å²	98.6	73%	0.726	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-7.5	169.1	-55.6	-169.8	175.2	-166.9	0	113.6	H752 F753	H752-K755 WeakPolarHBondContact O-CA 3.45Å; H752-K755 WeakPolarHBondContact O-CB 3.5Å; H752-K755 PolarHBondContact O-N 3.22Å; F753-K755 PolarHBondContact O-N 3.34Å
756	H	70.5	Confident	70.4	Confident	61 Å²	61	98.3 Å²	98.3	28%	0.282	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.1	175.3	-64	-55	0	0	0	112.1	C736 V738 C739 H752 F753	C736-H756 PolarHBondContact SG-CD2 3.41Å; C736-H756 PolarHBondContact SG-NE2 2.95Å; V738-H756 HydrophobicContact CB-CB 4.28Å; V738-H756 HydrophobicContact CG1-CB 4.02Å; V738-H756 HydrophobicContact CG2-CB 4.32Å; C739-H756 VanDerWaalsContact SG-CE1 3.51Å; C739-H756 PolarHBondContact SG-NE2 3.32Å; H752-H756 AromaticContact CD2-NE2 3.62Å; H752-H756 AromaticContact CE1-CE1 3.78Å; H752-H756 AromaticContact CE1-NE2 3.18Å; H752-H756 PolarHBondContact CE1-NE2 3.48Å; H752-H756 AromaticContact ND1-NE2 3.92Å; H752-H756 AromaticContact NE2-CD2 3.89Å; H752-H756 AromaticContact NE2-CE1 3.87Å; H752-H756 AromaticContact NE2-NE2 2.98Å; H752-H756 PolarHBondContact NE2-NE2 3.3Å; F753-H756 PolarHBondContact O-N 3.32Å
757	Q	66.3	Low	70.5	Confident	120 Å²	120	97.6 Å²	97.6	56%	0.561	50%	0.501	S	S	*	.	S	Bend	trans	-56.9	132.6	158.6	-67.6	-176.9	-60.8	0	0	108	F753	F753-Q757 PolarHBondContact O-N 3.04Å
758	P	56.6	Low	70.4	Confident	121 Å²	121	99.4 Å²	99.4	79%	0.786	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-56.5	143.3	170.6	25.7	-33.4	0	0	0	108.6
759	K	52.6	Low	70	Confident	157 Å²	157	102.8 Å²	102.8	68%	0.683	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-70.9	138.2	170.1	-61.4	174.8	-169.1	162.6	0	106.9	E761 F775	K759-E761 PolarHBondContact O-N 3.07Å; K759-F775 HydrophobicContact CB-CE1 4.42Å; K759-F775 HydrophobicContact CD-CZ 4.27Å
760	P	55.5	Low	70	Confident	93 Å²	93	103.7 Å²	103.7	60%	0.604	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-58.6	129.5	165.3	27.3	-33.3	0	0	0	107.9	V762 F775	P760-V762 VanDerWaalsContact C-N 3.27Å; P760-F775 WeakPolarHBondContact O-CE1 3.22Å
761	E	57.1	Low	69.8	Low	184 Å²	184	109.5 Å²	109.5	86%	0.86	55%	0.545	S	S	*	.	S	Bend	trans	-72.4	-29.8	-175.8	-55.2	-165.8	142.4	0	0	110.8	K759 R763	K759-E761 PolarHBondContact O-N 3.07Å; E761-R763 PolarHBondContact O-N 2.99Å
762	V	57.3	Low	69.4	Low	122 Å²	122	107.2 Å²	107.2	74%	0.739	54%	0.535	S	S	*	.			trans	-63.6	100.6	168.6	-173.7	0	0	0	0	110.8	P760 G764	P760-V762 VanDerWaalsContact C-N 3.27Å; V762-G764 VanDerWaalsContact C-N 3.32Å; V762-G764 PolarHBondContact O-N 3.32Å; V762-G764 VanDerWaalsContact O-N 3.08Å
763	R	61	Low	69.2	Low	129 Å²	129	107.8 Å²	107.8	49%	0.487	54%	0.542	S	S	.	.			trans	-79.4	76.7	169.6	-62.4	170.5	-166	168	8.4	109.8	E761 Y765 S773 F774 F775	E761-R763 PolarHBondContact O-N 2.99Å; R763-Y765 PolarHBondContact O-N 3.27Å; R763-S773 WeakPolarHBondContact CD-OG 3.47Å; R763-S773 PolarHBondContact NH1-OG 3.07Å; R763-S773 VanDerWaalsContact NH1-OG 3.08Å; R763-F774 CarbonylContact C-O 3.53Å; R763-F775 HydrophobicContact CG-CD1 4.14Å; R763-F775 HydrophobicContact CG-CE1 3.67Å; R763-F775 HydrophobicContact CG-CE2 4.25Å; R763-F775 HydrophobicContact CG-CZ 3.73Å
764	G	67	Low	69.5	Low	55 Å²	55	106.9 Å²	106.9	57%	0.567	54%	0.538	S	S	*	.			trans	-62.7	16.2	-170.5	0	0	0	0	0	118.4	V762	V762-G764 VanDerWaalsContact C-N 3.32Å; V762-G764 PolarHBondContact O-N 3.32Å; V762-G764 VanDerWaalsContact O-N 3.08Å
765	Y	72.1	Confident	69.2	Low	104 Å²	104	104.5 Å²	104.5	41%	0.408	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-132.7	85.7	175.4	-62	-72.6	0	0	0	109.9	R763 F774 A777	R763-Y765 PolarHBondContact O-N 3.27Å; Y765-F774 PolarHBondContact N-O 3.45Å; Y765-F774 PolarHBondContact O-N 3.06Å; Y765-A777 HydrophobicContact CD1-CB 3.87Å; Y765-A777 HydrophobicContact CE1-CB 3.57Å; Y765-A777 HydrophobicContact CE2-CB 4.44Å; Y765-A777 HydrophobicContact CG-CB 4.45Å
766	H	78.4	Confident	69.6	Low	130 Å²	130	100.8 Å²	100.8	60%	0.602	51%	0.513	S	S	*	.			trans	-76.6	156.6	175.8	60.6	-105.4	0	0	0	111.7	L780	H766-L780 WeakPolarHBondContact O-CD1 3.44Å; H766-L780 WeakPolarHBondContact O-CD2 3.2Å
767	C	82.1	Confident	69.7	Low	11 Å²	11	100 Å²	100	7%	0.074	52%	0.517	C	S	.	.			trans	-93.8	137.5	168.5	170.9	0	0	0	0	109.3	Q769 C770 K772 L780 H783 M784	C767-Q769 VanDerWaalsContact C-N 3.32Å; C767-Q769 PolarHBondContact SG-N 3.46Å; C767-C770 CarbonylContact C-O 3.55Å; C767-C770 WeakPolarHBondContact CB-O 3.35Å; C767-C770 PolarHBondContact SG-N 2.88Å; C767-K772 WeakPolarHBondContact CB-O 3.5Å; C767-K772 PolarHBondContact N-O 3.18Å; C767-K772 VanDerWaalsContact N-O 3.1Å; C767-L780 HydrophobicContact CB-CD1 3.95Å; C767-H783 PolarHBondContact SG-NE2 2.92Å; C767-M784 HydrophobicContact CB-CE 3.76Å; C767-M784 WeakPolarHBondContact SG-CE 3.4Å
768	T	75.3	Confident	70.1	Confident	112 Å²	112	100.9 Å²	100.9	69%	0.687	52%	0.515	S	S	*	.	S	Bend	trans	-83.6	-8.5	178.3	50.5	0	0	0	0	113.1
769	Q	73.1	Confident	71.1	Confident	96 Å²	96	97.3 Å²	97.3	45%	0.449	49%	0.49	S	S	.	.	S	Bend	trans	-122.1	4.1	-173.3	-68.2	170.7	-27.7	0	0	113	C767 H787	C767-Q769 VanDerWaalsContact C-N 3.32Å; C767-Q769 PolarHBondContact SG-N 3.46Å; Q769-H787 HydrophobicContact CB-CB 4.22Å; Q769-H787 PolarHBondContact O-CE1 2.82Å
770	C	81.6	Confident	72.5	Confident	39 Å²	39	91.3 Å²	91.3	26%	0.264	47%	0.465	S	S	.	.	S	Bend	trans	-173	167.5	157.1	66.4	0	0	0	0	109.8	C767 K772 H783 H787	C767-C770 CarbonylContact C-O 3.55Å; C767-C770 WeakPolarHBondContact CB-O 3.35Å; C767-C770 PolarHBondContact SG-N 2.88Å; C770-K772 PolarHBondContact O-N 2.86Å; C770-H783 PolarHBondContact SG-NE2 2.86Å; C770-H787 PolarHBondContact SG-NE2 3.37Å
771	E	74.5	Confident	73.4	Confident	189 Å²	189	95.6 Å²	95.6	88%	0.883	47%	0.469	S	S	*	.	S	Bend	trans	-61.6	7.2	-175.4	-54.2	167	156.9	0	0	116.7	S773	E771-S773 PolarHBondContact O-N 2.94Å
772	K	71.3	Confident	74.2	Confident	115 Å²	115	90.2 Å²	90.2	50%	0.5	44%	0.444	S	S	.	.			trans	-81.3	113.2	-171.5	-70	172.8	-174.1	59.1	0	110.7	C767 C770 F774	C767-K772 WeakPolarHBondContact CB-O 3.5Å; C767-K772 PolarHBondContact N-O 3.18Å; C767-K772 VanDerWaalsContact N-O 3.1Å; C770-K772 PolarHBondContact O-N 2.86Å; K772-F774 HydrophobicContact CB-CE2 3.83Å; K772-F774 HydrophobicContact CB-CZ 4.13Å; K772-F774 WeakPolarHBondContact O-CD2 3.24Å; K772-F774 WeakPolarHBondContact O-CE2 3.4Å
773	S	77.7	Confident	75.3	Confident	38 Å²	38	85.5 Å²	85.5	27%	0.266	41%	0.414	S	S	.	.			trans	-105.9	142.3	-178.4	45.3	0	0	0	0	112.3	R763 E771	R763-S773 WeakPolarHBondContact CD-OG 3.47Å; R763-S773 PolarHBondContact NH1-OG 3.07Å; R763-S773 VanDerWaalsContact NH1-OG 3.08Å; E771-S773 PolarHBondContact O-N 2.94Å
774	F	81.6	Confident	76	Confident	49 Å²	49	80.9 Å²	80.9	22%	0.215	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-128	158.4	-168.6	-63.3	-95.1	0	0	0	112.5	R763 Y765 K772 D779 L780 H783	R763-F774 CarbonylContact C-O 3.53Å; Y765-F774 PolarHBondContact N-O 3.45Å; Y765-F774 PolarHBondContact O-N 3.06Å; K772-F774 HydrophobicContact CB-CE2 3.83Å; K772-F774 HydrophobicContact CB-CZ 4.13Å; K772-F774 WeakPolarHBondContact O-CD2 3.24Å; K772-F774 WeakPolarHBondContact O-CE2 3.4Å; F774-D779 HydrophobicContact CD1-CB 3.95Å; F774-L780 HydrophobicContact CB-CB 4.31Å; F774-L780 HydrophobicContact CD2-CB 4.18Å; F774-L780 HydrophobicContact CD2-CD1 3.98Å; F774-L780 HydrophobicContact CE2-CD1 4.33Å; F774-L780 HydrophobicContact CG-CB 4.35Å; F774-H783 HydrophobicContact CE1-CB 4.21Å; F774-H783 HydrophobicContact CE2-CB 3.98Å; F774-H783 AromaticContact CE2-CD2 3.22Å; F774-H783 WeakPolarHBondContact CE2-CD2 3.49Å; F774-H783 AromaticContact CE2-CG 3.77Å; F774-H783 HydrophobicContact CZ-CB 3.59Å; F774-H783 AromaticContact CZ-CD2 3.45Å; F774-H783 VanDerWaalsContact CZ-CD2 3.45Å; F774-H783 WeakPolarHBondContact CZ-CD2 3.26Å; F774-H783 AromaticContact CZ-CG 3.52Å
775	F	72.6	Confident	76.6	Confident	102 Å²	102	79.9 Å²	79.9	45%	0.447	38%	0.38	S	S	.	.	S	Bend	trans	-91.7	-12.9	179.9	-61.3	-81.3	0	0	0	114.1	K759 P760 R763	K759-F775 HydrophobicContact CB-CE1 4.42Å; K759-F775 HydrophobicContact CD-CZ 4.27Å; P760-F775 WeakPolarHBondContact O-CE1 3.22Å; R763-F775 HydrophobicContact CG-CD1 4.14Å; R763-F775 HydrophobicContact CG-CE1 3.67Å; R763-F775 HydrophobicContact CG-CE2 4.25Å; R763-F775 HydrophobicContact CG-CZ 3.73Å
776	E	77.8	Confident	76.5	Confident	90 Å²	90	82.2 Å²	82.2	42%	0.421	39%	0.392	S	S	.	.	S	Bend	trans	-142.6	136.4	178.8	-66.3	-169.1	-119.6	0	0	111.3	R778 D779 L780	E776-R778 HydrophobicContact CB-CG 4.38Å; E776-R778 VanDerWaalsContact CD-NH2 3.28Å; E776-R778 PolarHBondContact O-N 2.92Å; E776-R778 IonicContact OE1-CZ 2.69Å; E776-R778 IonicContact OE1-NH1 3.44Å; E776-R778 PolarHBondContact OE1-NH1 2.98Å; E776-R778 IonicContact OE1-NH2 2.8Å; E776-R778 PolarHBondContact OE1-NH2 3.28Å; E776-R778 IonicContact OE2-CZ 3.7Å; E776-R778 VanDerWaalsContact OE2-CZ 3.3Å; E776-R778 IonicContact OE2-NH1 3.41Å; E776-R778 PolarHBondContact OE2-NH1 2.81Å; E776-R778 IonicContact OE2-NH2 3.79Å; E776-D779 PolarHBondContact O-N 3.4Å; E776-L780 PolarHBondContact O-N 3.15Å
777	A	72.8	Confident	76.3	Confident	43 Å²	43	79 Å²	79	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-52.1	-32.1	179.3	0	0	0	0	0	114.4	Y765 D779 R781	Y765-A777 HydrophobicContact CD1-CB 3.87Å; Y765-A777 HydrophobicContact CE1-CB 3.57Å; Y765-A777 HydrophobicContact CE2-CB 4.44Å; Y765-A777 HydrophobicContact CG-CB 4.45Å; A777-D779 VanDerWaalsContact C-N 3.31Å; A777-D779 PolarHBondContact O-N 3.45Å; A777-R781 WeakPolarHBondContact O-CB 3.33Å; A777-R781 PolarHBondContact O-N 3.16Å
778	R	74.8	Confident	75.9	Confident	140 Å²	140	83.5 Å²	83.5	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-36.1	177.7	85.1	-178.3	-175.7	-114.2	-33.3	111.7	E776 Q782	E776-R778 HydrophobicContact CB-CG 4.38Å; E776-R778 VanDerWaalsContact CD-NH2 3.28Å; E776-R778 PolarHBondContact O-N 2.92Å; E776-R778 IonicContact OE1-CZ 2.69Å; E776-R778 IonicContact OE1-NH1 3.44Å; E776-R778 PolarHBondContact OE1-NH1 2.98Å; E776-R778 IonicContact OE1-NH2 2.8Å; E776-R778 PolarHBondContact OE1-NH2 3.28Å; E776-R778 IonicContact OE2-CZ 3.7Å; E776-R778 VanDerWaalsContact OE2-CZ 3.3Å; E776-R778 IonicContact OE2-NH1 3.41Å; E776-R778 PolarHBondContact OE2-NH1 2.81Å; E776-R778 IonicContact OE2-NH2 3.79Å; R778-Q782 VanDerWaalsContact O-CB 3.32Å; R778-Q782 WeakPolarHBondContact O-CB 3.33Å; R778-Q782 PolarHBondContact O-N 3.03Å
779	D	78	Confident	75.5	Confident	46 Å²	46	80.4 Å²	80.4	25%	0.246	39%	0.39	C	S	.	.	H	α-helix	trans	-79.8	-36.4	-173.6	-62.3	-23.8	0	0	0	108.8	F774 E776 A777 H783	F774-D779 HydrophobicContact CD1-CB 3.95Å; E776-D779 PolarHBondContact O-N 3.4Å; A777-D779 VanDerWaalsContact C-N 3.31Å; A777-D779 PolarHBondContact O-N 3.45Å; D779-H783 WeakPolarHBondContact O-CB 3.3Å; D779-H783 PolarHBondContact O-N 2.74Å
780	L	80.9	Confident	75.3	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-51.7	165.1	174.3	64.1	0	0	0	111.8	H766 C767 F774 E776 Q782 H783 M784	H766-L780 WeakPolarHBondContact O-CD1 3.44Å; H766-L780 WeakPolarHBondContact O-CD2 3.2Å; C767-L780 HydrophobicContact CB-CD1 3.95Å; F774-L780 HydrophobicContact CB-CB 4.31Å; F774-L780 HydrophobicContact CD2-CB 4.18Å; F774-L780 HydrophobicContact CD2-CD1 3.98Å; F774-L780 HydrophobicContact CE2-CD1 4.33Å; F774-L780 HydrophobicContact CG-CB 4.35Å; E776-L780 PolarHBondContact O-N 3.15Å; L780-Q782 VanDerWaalsContact C-N 3.29Å; L780-Q782 PolarHBondContact O-N 2.95Å; L780-H783 CarbonylContact O-C 3.56Å; L780-H783 WeakPolarHBondContact O-CA 3.36Å; L780-H783 VanDerWaalsContact O-CB 3.3Å; L780-H783 WeakPolarHBondContact O-CB 3.46Å; L780-H783 PolarHBondContact O-N 3.27Å; L780-M784 HydrophobicContact CD1-CE 3.44Å; L780-M784 VanDerWaalsContact CD1-CE 3.44Å; L780-M784 HydrophobicContact CD1-SD 4.26Å; L780-M784 HydrophobicContact CG-CE 4.32Å; L780-M784 PolarHBondContact O-N 2.82Å
781	R	74.6	Confident	74.8	Confident	184 Å²	184	83.4 Å²	83.4	69%	0.694	40%	0.403	S	S	*	.	H	α-helix	trans	-59.7	-39.7	179.4	-168.2	-179.6	-64.1	-173.3	-2.1	111.9	A777 H783 M784 N785	A777-R781 WeakPolarHBondContact O-CB 3.33Å; A777-R781 PolarHBondContact O-N 3.16Å; R781-H783 PolarHBondContact O-N 2.86Å; R781-M784 PolarHBondContact O-N 2.79Å; R781-N785 PolarHBondContact O-N 3.04Å; R781-N785 PolarHBondContact O-OD1 3.41Å
782	Q	74.4	Confident	74.6	Confident	71 Å²	71	77.7 Å²	77.7	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-67	-22.2	173.6	-176	174.4	-5.7	0	0	113.2	R778 L780 W804	R778-Q782 VanDerWaalsContact O-CB 3.32Å; R778-Q782 WeakPolarHBondContact O-CB 3.33Å; R778-Q782 PolarHBondContact O-N 3.03Å; L780-Q782 VanDerWaalsContact C-N 3.29Å; L780-Q782 PolarHBondContact O-N 2.95Å; Q782-W804 HydrophobicContact CG-CG 4.49Å; Q782-W804 VanDerWaalsContact NE2-CD2 3.33Å
783	H	79.8	Confident	74.7	Confident	23 Å²	23	74.8 Å²	74.8	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-82.9	-34.5	172.2	170.5	46.5	0	0	0	113	C767 C770 F774 D779 L780 R781 N785 K786 H787	C767-H783 PolarHBondContact SG-NE2 2.92Å; C770-H783 PolarHBondContact SG-NE2 2.86Å; F774-H783 HydrophobicContact CE1-CB 4.21Å; F774-H783 HydrophobicContact CE2-CB 3.98Å; F774-H783 AromaticContact CE2-CD2 3.22Å; F774-H783 WeakPolarHBondContact CE2-CD2 3.49Å; F774-H783 AromaticContact CE2-CG 3.77Å; F774-H783 HydrophobicContact CZ-CB 3.59Å; F774-H783 AromaticContact CZ-CD2 3.45Å; F774-H783 VanDerWaalsContact CZ-CD2 3.45Å; F774-H783 WeakPolarHBondContact CZ-CD2 3.26Å; F774-H783 AromaticContact CZ-CG 3.52Å; D779-H783 WeakPolarHBondContact O-CB 3.3Å; D779-H783 PolarHBondContact O-N 2.74Å; L780-H783 CarbonylContact O-C 3.56Å; L780-H783 WeakPolarHBondContact O-CA 3.36Å; L780-H783 VanDerWaalsContact O-CB 3.3Å; L780-H783 WeakPolarHBondContact O-CB 3.46Å; L780-H783 PolarHBondContact O-N 3.27Å; R781-H783 PolarHBondContact O-N 2.86Å; H783-N785 PolarHBondContact O-N 3.32Å; H783-K786 VanDerWaalsContact O-CB 3.25Å; H783-K786 WeakPolarHBondContact O-CB 3.33Å; H783-K786 PolarHBondContact O-N 3.27Å; H783-H787 AromaticContact CE1-CD2 3.55Å; H783-H787 AromaticContact CE1-NE2 3.11Å; H783-H787 PolarHBondContact CE1-NE2 2.87Å; H783-H787 AromaticContact NE2-CD2 3.85Å; H783-H787 AromaticContact NE2-NE2 3.38Å; H783-H787 PolarHBondContact NE2-NE2 2.97Å
784	M	76.1	Confident	74.4	Confident	32 Å²	32	78.3 Å²	78.3	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-38.9	173.6	-59.5	-56.7	84.1	0	0	111.5	C767 L780 R781 K786 H787 L788	C767-M784 HydrophobicContact CB-CE 3.76Å; C767-M784 WeakPolarHBondContact SG-CE 3.4Å; L780-M784 HydrophobicContact CD1-CE 3.44Å; L780-M784 VanDerWaalsContact CD1-CE 3.44Å; L780-M784 HydrophobicContact CD1-SD 4.26Å; L780-M784 HydrophobicContact CG-CE 4.32Å; L780-M784 PolarHBondContact O-N 2.82Å; R781-M784 PolarHBondContact O-N 2.79Å; M784-K786 PolarHBondContact O-N 3.32Å; M784-H787 PolarHBondContact O-N 3.44Å; M784-L788 HydrophobicContact CB-CD1 4.26Å; M784-L788 PolarHBondContact O-N 2.8Å
785	N	78.8	Confident	73.8	Confident	34 Å²	34	76 Å²	76	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-56	-12.3	172.4	-65.1	7.3	0	0	0	114.6	R781 H783 V790	R781-N785 PolarHBondContact O-N 3.04Å; R781-N785 PolarHBondContact O-OD1 3.41Å; H783-N785 PolarHBondContact O-N 3.32Å; N785-V790 WeakPolarHBondContact CB-O 3.4Å
786	K	71.3	Confident	73.7	Confident	153 Å²	153	79.8 Å²	79.8	67%	0.665	39%	0.391	S	S	*	.	H	α-helix	trans	-92.4	-24.8	174.8	-167.4	-102.8	173.2	-167.8	0	112.8	H783 M784	H783-K786 VanDerWaalsContact O-CB 3.25Å; H783-K786 WeakPolarHBondContact O-CB 3.33Å; H783-K786 PolarHBondContact O-N 3.27Å; M784-K786 PolarHBondContact O-N 3.32Å
787	H	73.9	Confident	72.9	Confident	63 Å²	63	82 Å²	82	29%	0.292	40%	0.399	S	S	.	.	H	α-helix	trans	-89.9	-51.9	175.9	-71	-82.1	0	0	0	111	Q769 C770 H783 M784 G789	Q769-H787 HydrophobicContact CB-CB 4.22Å; Q769-H787 PolarHBondContact O-CE1 2.82Å; C770-H787 PolarHBondContact SG-NE2 3.37Å; H783-H787 AromaticContact CE1-CD2 3.55Å; H783-H787 AromaticContact CE1-NE2 3.11Å; H783-H787 PolarHBondContact CE1-NE2 2.87Å; H783-H787 AromaticContact NE2-CD2 3.85Å; H783-H787 AromaticContact NE2-NE2 3.38Å; H783-H787 PolarHBondContact NE2-NE2 2.97Å; M784-H787 PolarHBondContact O-N 3.44Å; H787-G789 PolarHBondContact O-N 2.95Å
788	L	73.1	Confident	72.4	Confident	105 Å²	105	81.3 Å²	81.3	55%	0.55	39%	0.392	S	S	.	.	S	Bend	trans	-68.3	2.6	179.6	-57.5	174.5	0	0	0	114.1	M784 V790	M784-L788 HydrophobicContact CB-CD1 4.26Å; M784-L788 PolarHBondContact O-N 2.8Å; L788-V790 HydrophobicContact CB-CG2 3.91Å; L788-V790 WeakPolarHBondContact O-CG2 3.38Å; L788-V790 PolarHBondContact O-N 2.89Å
789	G	67.8	Low	72	Confident	46 Å²	46	80.9 Å²	80.9	47%	0.474	40%	0.4	S	S	.	.			trans	66.1	-17	-175.2	0	0	0	0	0	116.3	H787 K791	H787-G789 PolarHBondContact O-N 2.95Å; G789-K791 WeakPolarHBondContact O-CG 3.3Å; G789-K791 PolarHBondContact O-N 3.4Å
790	V	68.4	Low	71.3	Confident	75 Å²	75	84.7 Å²	84.7	46%	0.455	41%	0.414	S	S	.	.			trans	-57.7	117.7	-171.2	-170.5	0	0	0	0	111.7	N785 L788 P792	N785-V790 WeakPolarHBondContact CB-O 3.4Å; L788-V790 HydrophobicContact CB-CG2 3.91Å; L788-V790 WeakPolarHBondContact O-CG2 3.38Å; L788-V790 PolarHBondContact O-N 2.89Å; V790-P792 HydrophobicContact CG1-CB 4.41Å; V790-P792 VanDerWaalsContact O-CD 3.23Å; V790-P792 WeakPolarHBondContact O-CD 3.27Å
791	K	70.8	Confident	70.9	Confident	123 Å²	123	85.4 Å²	85.4	54%	0.535	42%	0.421	S	S	.	.			trans	-112.8	75.9	177.5	-71.4	150.9	178.2	169.4	0	109.2	G789 F793 C801 Y802	G789-K791 WeakPolarHBondContact O-CG 3.3Å; G789-K791 PolarHBondContact O-N 3.4Å; K791-F793 PolarHBondContact O-N 3.4Å; K791-C801 HydrophobicContact CB-CB 3.45Å; K791-C801 VanDerWaalsContact CB-CB 3.45Å; K791-C801 HydrophobicContact CD-CB 4.03Å; K791-C801 WeakPolarHBondContact CD-O 3.46Å; K791-C801 HydrophobicContact CG-CB 4.31Å; K791-Y802 CarbonylContact C-O 3.52Å; K791-Y802 WeakPolarHBondContact CA-O 3.46Å
792	P	71.3	Confident	71	Confident	69 Å²	69	79.7 Å²	79.7	45%	0.448	40%	0.4	S	S	.	.			trans	-73.1	14.4	-167.2	33.4	-37.7	0	0	0	114.3	V790	V790-P792 HydrophobicContact CG1-CB 4.41Å; V790-P792 VanDerWaalsContact O-CD 3.23Å; V790-P792 WeakPolarHBondContact O-CD 3.27Å
793	F	72.1	Confident	70.7	Confident	55 Å²	55	78 Å²	78	24%	0.241	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	80.5	177.2	-52.4	-69.4	0	0	0	109.8	K791 Y802 K805 W808	K791-F793 PolarHBondContact O-N 3.4Å; F793-Y802 WeakPolarHBondContact CB-O 3.29Å; F793-Y802 WeakPolarHBondContact CD2-O 3.33Å; F793-Y802 PolarHBondContact N-O 3.22Å; F793-Y802 PolarHBondContact O-N 3.33Å; F793-K805 HydrophobicContact CD1-CB 4.47Å; F793-K805 HydrophobicContact CD1-CG 4.34Å; F793-K805 HydrophobicContact CD2-CB 4.23Å; F793-K805 HydrophobicContact CE1-CB 4.02Å; F793-K805 HydrophobicContact CE1-CD 3.87Å; F793-K805 HydrophobicContact CE1-CG 3.93Å; F793-K805 HydrophobicContact CE2-CB 3.74Å; F793-K805 HydrophobicContact CZ-CB 3.64Å; F793-K805 HydrophobicContact CZ-CD 4.03Å; F793-K805 HydrophobicContact CZ-CG 4.06Å; F793-W808 HydrophobicContact CB-CB 3.61Å; F793-W808 HydrophobicContact CB-CD2 4.15Å; F793-W808 HydrophobicContact CB-CG 3.49Å; F793-W808 VanDerWaalsContact CB-CG 3.49Å; F793-W808 HydrophobicContact CG-CB 4.28Å; F793-W808 HydrophobicContact CG-CG 4.34Å
794	Q	72.2	Confident	70.4	Confident	112 Å²	112	82.6 Å²	82.6	52%	0.523	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	146.4	168.1	-176.1	171.4	5.5	0	0	110.7	D799 W808	Q794-D799 PolarHBondContact NE2-OD1 2.89Å; Q794-W808 PolarHBondContact O-NE1 3.45Å
795	C	69.3	Low	70	Confident	1 Å²	1	87.6 Å²	87.6	1%	0.007	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.4	173.2	-175	0	0	0	0	110.5	F797 C798 K800 H811 V812 H815	C795-F797 PolarHBondContact O-N 2.97Å; C795-C798 WeakPolarHBondContact CB-O 3.41Å; C795-C798 CarbonylContact O-C 3.58Å; C795-K800 PolarHBondContact N-O 3.42Å; C795-H811 WeakPolarHBondContact CB-NE2 3.44Å; C795-H811 VanDerWaalsContact SG-CD2 3.57Å; C795-H811 PolarHBondContact SG-NE2 3.1Å; C795-H811 VanDerWaalsContact SG-NE2 3.37Å; C795-V812 HydrophobicContact CB-CG2 4.42Å; C795-H815 PolarHBondContact SG-CD2 3.44Å; C795-H815 PolarHBondContact SG-NE2 2.98Å
796	Q	69.1	Low	69.7	Low	180 Å²	180	91 Å²	91	84%	0.841	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.6	-177.7	-67.6	171.7	-34.6	0	0	114.1
797	F	62.4	Low	69.7	Low	136 Å²	136	85.8 Å²	85.8	60%	0.596	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-3.3	-178.4	-57.3	-71.8	0	0	0	113.4	C795 V812 H815	C795-F797 PolarHBondContact O-N 2.97Å; F797-V812 HydrophobicContact CE2-CG1 4.5Å; F797-H815 HydrophobicContact CB-CB 4.2Å; F797-H815 HydrophobicContact CD2-CB 4Å; F797-H815 HydrophobicContact CG-CB 4.2Å
798	C	61.7	Low	69.9	Low	30 Å²	30	85.8 Å²	85.8	20%	0.203	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	149.6	163.6	61.5	0	0	0	0	108.8	C795 K800 H811 H815	C795-C798 WeakPolarHBondContact CB-O 3.41Å; C795-C798 CarbonylContact O-C 3.58Å; C798-K800 PolarHBondContact O-N 3.2Å; C798-H811 VanDerWaalsContact SG-CE1 3.55Å; C798-H811 PolarHBondContact SG-NE2 2.77Å; C798-H815 VanDerWaalsContact SG-CE1 3.57Å; C798-H815 PolarHBondContact SG-NE2 3.27Å; C798-H815 VanDerWaalsContact SG-NE2 3.38Å
799	D	66.3	Low	70	Confident	131 Å²	131	88 Å²	88	70%	0.701	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	29	-166	-50	-73.9	0	0	0	115.5	Q794 C801	Q794-D799 PolarHBondContact NE2-OD1 2.89Å; D799-C801 PolarHBondContact O-N 2.97Å
800	K	64.1	Low	70	Confident	125 Å²	125	86.7 Å²	86.7	54%	0.543	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	102.1	173.7	-67.3	172.3	-173.1	155.7	0	108.4	C795 C798 Y802	C795-K800 PolarHBondContact N-O 3.42Å; C798-K800 PolarHBondContact O-N 3.2Å; K800-Y802 HydrophobicContact CB-CE2 3.73Å; K800-Y802 WeakPolarHBondContact O-CD2 3.36Å; K800-Y802 WeakPolarHBondContact O-CE2 3.49Å
801	C	72.1	Confident	70.2	Confident	45 Å²	45	84 Å²	84	30%	0.304	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.2	174.4	-54.3	0	0	0	0	111.3	K791 D799	K791-C801 HydrophobicContact CB-CB 3.45Å; K791-C801 VanDerWaalsContact CB-CB 3.45Å; K791-C801 HydrophobicContact CD-CB 4.03Å; K791-C801 WeakPolarHBondContact CD-O 3.46Å; K791-C801 HydrophobicContact CG-CB 4.31Å; D799-C801 PolarHBondContact O-N 2.97Å
802	Y	75.6	Confident	70.2	Confident	64 Å²	64	79.9 Å²	79.9	25%	0.251	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.7	-177	-66.4	-97	0	0	0	111.4	K791 F793 K800 D807 W808 H811	K791-Y802 CarbonylContact C-O 3.52Å; K791-Y802 WeakPolarHBondContact CA-O 3.46Å; F793-Y802 WeakPolarHBondContact CB-O 3.29Å; F793-Y802 WeakPolarHBondContact CD2-O 3.33Å; F793-Y802 PolarHBondContact N-O 3.22Å; F793-Y802 PolarHBondContact O-N 3.33Å; K800-Y802 HydrophobicContact CB-CE2 3.73Å; K800-Y802 WeakPolarHBondContact O-CD2 3.36Å; K800-Y802 WeakPolarHBondContact O-CE2 3.49Å; Y802-D807 HydrophobicContact CD1-CB 4.26Å; Y802-W808 HydrophobicContact CD2-CB 4.49Å; Y802-W808 HydrophobicContact CG-CB 4.37Å; Y802-H811 HydrophobicContact CE1-CB 4.38Å; Y802-H811 HydrophobicContact CE2-CB 3.96Å; Y802-H811 AromaticContact CE2-CD2 3.19Å; Y802-H811 WeakPolarHBondContact CE2-CD2 3.45Å; Y802-H811 AromaticContact CE2-CG 3.62Å; Y802-H811 AromaticContact CE2-NE2 3.97Å; Y802-H811 AromaticContact CZ-CD2 3.68Å; Y802-H811 AromaticContact CZ-CG 3.6Å; Y802-H811 VanDerWaalsContact OH-CG 3.29Å
803	S	68.5	Low	70.2	Confident	37 Å²	37	81.2 Å²	81.2	26%	0.259	38%	0.376	S	S	.	.	S	Bend	trans	-78.3	-19	173.7	55.3	0	0	0	0	113.3
804	W	72.8	Confident	69.9	Low	119 Å²	119	79.6 Å²	79.6	45%	0.451	37%	0.371	S	S	.	.			trans	-117.5	120.2	-172.5	-73.5	14.1	0	0	0	112.1	Q782 K806 D807 W808	Q782-W804 HydrophobicContact CG-CG 4.49Å; Q782-W804 VanDerWaalsContact NE2-CD2 3.33Å; W804-K806 PolarHBondContact O-N 3.47Å; W804-K806 VanDerWaalsContact O-N 3.16Å; W804-D807 HydrophobicContact CB-CB 4.17Å; W804-D807 PolarHBondContact O-N 2.98Å; W804-W808 PolarHBondContact O-N 2.89Å
805	K	69.1	Low	69.6	Low	136 Å²	136	78.1 Å²	78.1	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-57.2	-31.9	-179.9	-167.3	164	-173	159.6	0	114	F793 W808 Y809	F793-K805 HydrophobicContact CD1-CB 4.47Å; F793-K805 HydrophobicContact CD1-CG 4.34Å; F793-K805 HydrophobicContact CD2-CB 4.23Å; F793-K805 HydrophobicContact CE1-CB 4.02Å; F793-K805 HydrophobicContact CE1-CD 3.87Å; F793-K805 HydrophobicContact CE1-CG 3.93Å; F793-K805 HydrophobicContact CE2-CB 3.74Å; F793-K805 HydrophobicContact CZ-CB 3.64Å; F793-K805 HydrophobicContact CZ-CD 4.03Å; F793-K805 HydrophobicContact CZ-CG 4.06Å; K805-W808 HydrophobicContact CG-CE3 4.49Å; K805-Y809 VanDerWaalsContact O-CB 3.32Å; K805-Y809 WeakPolarHBondContact O-CB 3.41Å; K805-Y809 PolarHBondContact O-N 2.83Å
806	K	72.3	Confident	69.2	Low	107 Å²	107	82.2 Å²	82.2	47%	0.465	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-45.2	174.9	177.3	173.3	176.2	177	0	111.3	W804 Y809 S810 E832	W804-K806 PolarHBondContact O-N 3.47Å; W804-K806 VanDerWaalsContact O-N 3.16Å; K806-Y809 PolarHBondContact O-N 3.38Å; K806-S810 PolarHBondContact O-N 2.94Å; K806-E832 WeakPolarHBondContact CE-OE1 3.47Å; K806-E832 VanDerWaalsContact CE-OE2 3.26Å; K806-E832 WeakPolarHBondContact CE-OE2 3.19Å; K806-E832 IonicContact NZ-OE1 2.82Å; K806-E832 PolarHBondContact NZ-OE1 2.8Å; K806-E832 IonicContact NZ-OE2 2.8Å; K806-E832 PolarHBondContact NZ-OE2 3.1Å; K806-E832 VanDerWaalsContact NZ-OE2 3.15Å
807	D	71.5	Confident	68.6	Low	42 Å²	42	75.6 Å²	75.6	23%	0.225	37%	0.365	C	S	.	.	H	α-helix	trans	-76	-38.9	-172.2	-66.3	0.5	0	0	0	109.7	Y802 W804 Y809 S810 H811	Y802-D807 HydrophobicContact CD1-CB 4.26Å; W804-D807 HydrophobicContact CB-CB 4.17Å; W804-D807 PolarHBondContact O-N 2.98Å; D807-Y809 PolarHBondContact O-N 3.06Å; D807-S810 WeakPolarHBondContact O-CB 3.46Å; D807-S810 PolarHBondContact O-N 3.48Å; D807-S810 VanDerWaalsContact O-N 3.13Å; D807-S810 PolarHBondContact O-OG 3.29Å; D807-H811 WeakPolarHBondContact O-CB 3.16Å; D807-H811 PolarHBondContact O-N 2.76Å
808	W	78.5	Confident	68.1	Low	64 Å²	64	76 Å²	76	24%	0.242	38%	0.378	C	S	.	.	H	α-helix	trans	-50.5	-52.9	162.8	173.6	81.5	0	0	0	112.1	F793 Q794 Y802 W804 K805 S810 H811 V812	F793-W808 HydrophobicContact CB-CB 3.61Å; F793-W808 HydrophobicContact CB-CD2 4.15Å; F793-W808 HydrophobicContact CB-CG 3.49Å; F793-W808 VanDerWaalsContact CB-CG 3.49Å; F793-W808 HydrophobicContact CG-CB 4.28Å; F793-W808 HydrophobicContact CG-CG 4.34Å; Q794-W808 PolarHBondContact O-NE1 3.45Å; Y802-W808 HydrophobicContact CD2-CB 4.49Å; Y802-W808 HydrophobicContact CG-CB 4.37Å; W804-W808 PolarHBondContact O-N 2.89Å; K805-W808 HydrophobicContact CG-CE3 4.49Å; W808-S810 PolarHBondContact O-N 3.49Å; W808-H811 CarbonylContact O-C 3.53Å; W808-H811 WeakPolarHBondContact O-CA 3.2Å; W808-H811 PolarHBondContact O-N 3.16Å; W808-V812 HydrophobicContact CD2-CG2 3.94Å; W808-V812 VanDerWaalsContact CE2-CG2 3.48Å; W808-V812 HydrophobicContact CG-CG2 4.25Å; W808-V812 HydrophobicContact CH2-CG2 4.5Å; W808-V812 HydrophobicContact CZ2-CG2 3.82Å; W808-V812 PolarHBondContact O-N 3.23Å
809	Y	73.3	Confident	67.8	Low	150 Å²	150	81.1 Å²	81.1	59%	0.588	40%	0.4	S	S	*	.	H	α-helix	trans	-64.1	-31.1	-179.9	-175.2	-102.8	0	0	0	112.3	K805 K806 D807 H811 K813	K805-Y809 VanDerWaalsContact O-CB 3.32Å; K805-Y809 WeakPolarHBondContact O-CB 3.41Å; K805-Y809 PolarHBondContact O-N 2.83Å; K806-Y809 PolarHBondContact O-N 3.38Å; D807-Y809 PolarHBondContact O-N 3.06Å; Y809-H811 VanDerWaalsContact C-N 3.29Å; Y809-K813 WeakPolarHBondContact O-CB 3.41Å; Y809-K813 PolarHBondContact O-N 3.11Å; Y809-K813 VanDerWaalsContact O-N 3.09Å
810	S	69.8	Low	67.9	Low	20 Å²	20	76.1 Å²	76.1	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-69.5	-26.4	172.6	82.8	0	0	0	0	113.2	K806 D807 W808 S814	K806-S810 PolarHBondContact O-N 2.94Å; D807-S810 WeakPolarHBondContact O-CB 3.46Å; D807-S810 PolarHBondContact O-N 3.48Å; D807-S810 VanDerWaalsContact O-N 3.13Å; D807-S810 PolarHBondContact O-OG 3.29Å; W808-S810 PolarHBondContact O-N 3.49Å; S810-S814 PolarHBondContact O-N 3.16Å; S810-S814 VanDerWaalsContact O-N 3.13Å
811	H	72.1	Confident	68.1	Low	19 Å²	19	74.6 Å²	74.6	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-92.1	-41	180	171	58.2	0	0	0	113.7	C795 C798 Y802 D807 W808 Y809 K813 S814 H815	C795-H811 WeakPolarHBondContact CB-NE2 3.44Å; C795-H811 VanDerWaalsContact SG-CD2 3.57Å; C795-H811 PolarHBondContact SG-NE2 3.1Å; C795-H811 VanDerWaalsContact SG-NE2 3.37Å; C798-H811 VanDerWaalsContact SG-CE1 3.55Å; C798-H811 PolarHBondContact SG-NE2 2.77Å; Y802-H811 HydrophobicContact CE1-CB 4.38Å; Y802-H811 HydrophobicContact CE2-CB 3.96Å; Y802-H811 AromaticContact CE2-CD2 3.19Å; Y802-H811 WeakPolarHBondContact CE2-CD2 3.45Å; Y802-H811 AromaticContact CE2-CG 3.62Å; Y802-H811 AromaticContact CE2-NE2 3.97Å; Y802-H811 AromaticContact CZ-CD2 3.68Å; Y802-H811 AromaticContact CZ-CG 3.6Å; Y802-H811 VanDerWaalsContact OH-CG 3.29Å; D807-H811 WeakPolarHBondContact O-CB 3.16Å; D807-H811 PolarHBondContact O-N 2.76Å; W808-H811 CarbonylContact O-C 3.53Å; W808-H811 WeakPolarHBondContact O-CA 3.2Å; W808-H811 PolarHBondContact O-N 3.16Å; Y809-H811 VanDerWaalsContact C-N 3.29Å; H811-K813 PolarHBondContact O-N 3.36Å; H811-S814 PolarHBondContact ND1-OG 2.95Å; H811-S814 WeakPolarHBondContact O-CA 3.14Å; H811-S814 WeakPolarHBondContact O-CB 3.35Å; H811-S814 PolarHBondContact O-N 3.44Å; H811-S814 PolarHBondContact O-OG 3.19Å; H811-H815 AromaticContact CE1-CD2 3.75Å; H811-H815 AromaticContact CE1-CE1 3.98Å; H811-H815 AromaticContact CE1-NE2 3.11Å; H811-H815 PolarHBondContact CE1-NE2 3.11Å; H811-H815 AromaticContact NE2-CD2 3.84Å; H811-H815 AromaticContact NE2-NE2 3.21Å; H811-H815 PolarHBondContact NE2-NE2 3.29Å; H811-H815 PolarHBondContact O-CD2 2.79Å; H811-H815 VanDerWaalsContact O-CD2 3.27Å; H811-H815 PolarHBondContact O-N 3.29Å
812	V	71.1	Confident	67.7	Low	35 Å²	35	79.9 Å²	79.9	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-57	-33.4	164	176.4	0	0	0	0	109.6	C795 F797 W808 S816	C795-V812 HydrophobicContact CB-CG2 4.42Å; F797-V812 HydrophobicContact CE2-CG1 4.5Å; W808-V812 HydrophobicContact CD2-CG2 3.94Å; W808-V812 VanDerWaalsContact CE2-CG2 3.48Å; W808-V812 HydrophobicContact CG-CG2 4.25Å; W808-V812 HydrophobicContact CH2-CG2 4.5Å; W808-V812 HydrophobicContact CZ2-CG2 3.82Å; W808-V812 PolarHBondContact O-N 3.23Å; V812-S816 PolarHBondContact O-OG 3.43Å
813	K	70.6	Confident	67.4	Low	98 Å²	98	77 Å²	77	43%	0.426	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.6	169.6	-169.7	160.1	-174.4	167.9	0	114.7	Y809 H811 S816 V817	Y809-K813 WeakPolarHBondContact O-CB 3.41Å; Y809-K813 PolarHBondContact O-N 3.11Å; Y809-K813 VanDerWaalsContact O-N 3.09Å; H811-K813 PolarHBondContact O-N 3.36Å; K813-S816 WeakPolarHBondContact CA-OG 3.34Å; K813-S816 PolarHBondContact O-N 3.38Å; K813-S816 PolarHBondContact O-OG 2.91Å; K813-V817 HydrophobicContact CD-CG2 4.46Å; K813-V817 HydrophobicContact CG-CG2 3.72Å; K813-V817 WeakPolarHBondContact O-CB 3.48Å; K813-V817 VanDerWaalsContact O-CG2 3.23Å; K813-V817 WeakPolarHBondContact O-CG2 3.27Å; K813-V817 PolarHBondContact O-N 2.94Å
814	S	65.9	Low	67	Low	20 Å²	20	82.7 Å²	82.7	14%	0.14	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-41.7	171.7	64.2	0	0	0	0	111.7	S810 H811 S816 V817 Y831	S810-S814 PolarHBondContact O-N 3.16Å; S810-S814 VanDerWaalsContact O-N 3.13Å; H811-S814 PolarHBondContact ND1-OG 2.95Å; H811-S814 WeakPolarHBondContact O-CA 3.14Å; H811-S814 WeakPolarHBondContact O-CB 3.35Å; H811-S814 PolarHBondContact O-N 3.44Å; H811-S814 PolarHBondContact O-OG 3.19Å; S814-S816 PolarHBondContact O-N 3.1Å; S814-V817 PolarHBondContact O-N 3.22Å; S814-Y831 VanDerWaalsContact CB-CB 3.49Å; S814-Y831 VanDerWaalsContact CB-CD2 3.47Å
815	H	64.6	Low	66	Low	82 Å²	82	82.3 Å²	82.3	38%	0.38	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.7	177	-64.4	-72.4	0	0	0	114.4	C795 F797 C798 H811	C795-H815 PolarHBondContact SG-CD2 3.44Å; C795-H815 PolarHBondContact SG-NE2 2.98Å; F797-H815 HydrophobicContact CB-CB 4.2Å; F797-H815 HydrophobicContact CD2-CB 4Å; F797-H815 HydrophobicContact CG-CB 4.2Å; C798-H815 VanDerWaalsContact SG-CE1 3.57Å; C798-H815 PolarHBondContact SG-NE2 3.27Å; C798-H815 VanDerWaalsContact SG-NE2 3.38Å; H811-H815 AromaticContact CE1-CD2 3.75Å; H811-H815 AromaticContact CE1-CE1 3.98Å; H811-H815 AromaticContact CE1-NE2 3.11Å; H811-H815 PolarHBondContact CE1-NE2 3.11Å; H811-H815 AromaticContact NE2-CD2 3.84Å; H811-H815 AromaticContact NE2-NE2 3.21Å; H811-H815 PolarHBondContact NE2-NE2 3.29Å; H811-H815 PolarHBondContact O-CD2 2.79Å; H811-H815 VanDerWaalsContact O-CD2 3.27Å; H811-H815 PolarHBondContact O-N 3.29Å
816	S	62.8	Low	65.4	Low	87 Å²	87	78.2 Å²	78.2	61%	0.608	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	3.4	-179.8	51.7	0	0	0	0	114.7	V812 K813 S814	V812-S816 PolarHBondContact O-OG 3.43Å; K813-S816 WeakPolarHBondContact CA-OG 3.34Å; K813-S816 PolarHBondContact O-N 3.38Å; K813-S816 PolarHBondContact O-OG 2.91Å; S814-S816 PolarHBondContact O-N 3.1Å
817	V	54.8	Low	64.7	Low	41 Å²	41	75.6 Å²	75.6	25%	0.248	39%	0.393	C	S	.	.			trans	-113.7	101.1	-180	170.3	0	0	0	0	109.8	K813 S814 E819 Y831	K813-V817 HydrophobicContact CD-CG2 4.46Å; K813-V817 HydrophobicContact CG-CG2 3.72Å; K813-V817 WeakPolarHBondContact O-CB 3.48Å; K813-V817 VanDerWaalsContact O-CG2 3.23Å; K813-V817 WeakPolarHBondContact O-CG2 3.27Å; K813-V817 PolarHBondContact O-N 2.94Å; S814-V817 PolarHBondContact O-N 3.22Å; V817-E819 WeakPolarHBondContact CG1-O 3.33Å; V817-E819 PolarHBondContact O-N 3.2Å; V817-E819 VanDerWaalsContact O-N 3.14Å; V817-Y831 HydrophobicContact CB-CD1 4.35Å
818	T	53.2	Low	64.3	Low	143 Å²	143	80 Å²	80	88%	0.877	41%	0.41	S	S	*	.	S	Bend	trans	-68.7	-5.3	-176.7	54.3	0	0	0	0	115.4
819	E	54.3	Low	63.9	Low	139 Å²	139	80.2 Å²	80.2	65%	0.65	41%	0.414	S	S	*	.	S	Bend	trans	-133.7	92.9	172.2	-71.9	-166	151.1	0	0	110.6	V817	V817-E819 WeakPolarHBondContact CG1-O 3.33Å; V817-E819 PolarHBondContact O-N 3.2Å; V817-E819 VanDerWaalsContact O-N 3.14Å
820	P	68.3	Low	63.8	Low	25 Å²	25	75 Å²	75	16%	0.162	39%	0.394	C	S	.	.			trans	-59.4	145.2	167.4	17.6	-28.3	0	0	0	112.5	R822 E829 Y831	P820-R822 VanDerWaalsContact C-N 3.33Å; P820-R822 PolarHBondContact O-N 2.79Å; P820-E829 HydrophobicContact CB-CB 3.81Å; P820-E829 HydrophobicContact CB-CG 4.3Å; P820-E829 HydrophobicContact CG-CB 4.29Å; P820-E829 VanDerWaalsContact CG-CD 3.45Å; P820-E829 HydrophobicContact CG-CG 4.27Å; P820-E829 VanDerWaalsContact CG-OE1 3.27Å; P820-E829 WeakPolarHBondContact CG-OE1 3.36Å; P820-Y831 HydrophobicContact CB-CD1 3.94Å; P820-Y831 HydrophobicContact CB-CD2 4.34Å; P820-Y831 HydrophobicContact CB-CE1 3.62Å; P820-Y831 HydrophobicContact CB-CE2 3.97Å; P820-Y831 HydrophobicContact CB-CG 4.31Å; P820-Y831 HydrophobicContact CG-CE1 3.89Å
821	Y	69.6	Low	63.8	Low	93 Å²	93	77.4 Å²	77.4	37%	0.365	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	89.8	167.5	-60.1	-69.9	0	0	0	109.6	F830 K833 F836	Y821-F830 WeakPolarHBondContact CA-O 3.45Å; Y821-F830 VanDerWaalsContact CB-O 3.25Å; Y821-F830 WeakPolarHBondContact CB-O 3.45Å; Y821-F830 VanDerWaalsContact CD2-O 3.3Å; Y821-F830 WeakPolarHBondContact CD2-O 3.28Å; Y821-F830 PolarHBondContact N-O 2.85Å; Y821-F830 PolarHBondContact O-N 2.74Å; Y821-K833 HydrophobicContact CD2-CB 4.16Å; Y821-K833 HydrophobicContact CE1-CD 4.4Å; Y821-K833 HydrophobicContact CE1-CG 4.41Å; Y821-K833 HydrophobicContact CE2-CB 3.55Å; Y821-K833 HydrophobicContact CE2-CG 4.09Å; Y821-F836 HydrophobicContact CD2-CB 4.41Å; Y821-F836 HydrophobicContact CG-CB 4.27Å; Y821-F836 HydrophobicContact CG-CG 4.27Å; Y821-F836 WeakPolarHBondContact O-CD2 3.47Å
822	R	63.6	Low	63.6	Low	157 Å²	157	79 Å²	79	59%	0.592	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.2	173.8	-68.1	-175.8	170.2	-177	-3.7	111	P820 N824 E829 F836	P820-R822 VanDerWaalsContact C-N 3.33Å; P820-R822 PolarHBondContact O-N 2.79Å; R822-N824 PolarHBondContact O-N 2.97Å; R822-N824 PolarHBondContact O-OD1 3.14Å; R822-E829 HydrophobicContact CG-CG 4.19Å; R822-E829 IonicContact CZ-OE1 3.16Å; R822-E829 IonicContact NE-OE1 3.5Å; R822-E829 PolarHBondContact NE-OE1 3.3Å; R822-E829 IonicContact NH2-OE1 3.77Å; R822-E829 PolarHBondContact NH2-OE1 3.44Å; R822-F836 WeakPolarHBondContact O-CE2 3.46Å
823	C	68.6	Low	63.4	Low	4 Å²	4	82.6 Å²	82.6	3%	0.027	42%	0.421	C	S	.	.			trans	-83.5	106.6	168.3	-175.3	0	0	0	0	110.2	I825 C826 G827 K828 F830 F836 H839	C823-I825 PolarHBondContact O-N 3.27Å; C823-C826 PolarHBondContact O-N 3.11Å; C823-G827 PolarHBondContact O-N 3.1Å; C823-K828 PolarHBondContact N-O 2.95Å; C823-F830 HydrophobicContact CB-CE2 4.44Å; C823-F836 HydrophobicContact CB-CE2 4.44Å; C823-H839 WeakPolarHBondContact CB-NE2 3.25Å; C823-H839 PolarHBondContact SG-NE2 3.13Å
824	N	60.1	Low	63.3	Low	155 Å²	155	79.9 Å²	79.9	83%	0.829	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-6.5	-178.6	-59.8	27.5	0	0	0	115.9	R822	R822-N824 PolarHBondContact O-N 2.97Å; R822-N824 PolarHBondContact O-OD1 3.14Å
825	I	51.6	Low	63.5	Low	111 Å²	111	80.7 Å²	80.7	57%	0.569	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-13.1	-177.7	-62.8	160	0	0	0	112.3	C823 H845	C823-I825 PolarHBondContact O-N 3.27Å; I825-H845 HydrophobicContact CB-CB 4.43Å; I825-H845 HydrophobicContact CD1-CB 3.82Å; I825-H845 VanDerWaalsContact CG2-CE1 3.49Å; I825-H845 WeakPolarHBondContact CG2-CE1 3.24Å
826	C	56.8	Low	63.8	Low	50 Å²	50	79.2 Å²	79.2	34%	0.338	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	14.1	175.7	74.5	0	0	0	0	115.1	C823 K828 H839	C823-C826 PolarHBondContact O-N 3.11Å; C826-K828 PolarHBondContact O-N 3.39Å; C826-H839 PolarHBondContact SG-CE1 3.02Å; C826-H839 PolarHBondContact SG-NE2 3.46Å
827	G	58.3	Low	64	Low	53 Å²	53	83.2 Å²	83.2	55%	0.546	41%	0.414	S	S	.	.			trans	71.4	-30.8	179.4	0	0	0	0	0	115.7	C823 E829	C823-G827 PolarHBondContact O-N 3.1Å; G827-E829 PolarHBondContact O-N 3Å
828	K	62.6	Low	64.7	Low	133 Å²	133	88 Å²	88	58%	0.578	43%	0.428	S	S	*	.			trans	-53.3	133.1	-167	-68.6	-179.1	-176.7	-176.7	0	113.7	C823 C826 F830	C823-K828 PolarHBondContact N-O 2.95Å; C826-K828 PolarHBondContact O-N 3.39Å; K828-F830 HydrophobicContact CB-CE2 3.59Å; K828-F830 HydrophobicContact CB-CZ 3.86Å; K828-F830 WeakPolarHBondContact O-CD2 3.46Å; K828-F830 WeakPolarHBondContact O-CE2 3.44Å
829	E	69.9	Low	65.5	Low	70 Å²	70	82.7 Å²	82.7	33%	0.327	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.3	-176	-57.7	-152.5	134.2	0	0	111.8	P820 R822 G827 Y831	P820-E829 HydrophobicContact CB-CB 3.81Å; P820-E829 HydrophobicContact CB-CG 4.3Å; P820-E829 HydrophobicContact CG-CB 4.29Å; P820-E829 VanDerWaalsContact CG-CD 3.45Å; P820-E829 HydrophobicContact CG-CG 4.27Å; P820-E829 VanDerWaalsContact CG-OE1 3.27Å; P820-E829 WeakPolarHBondContact CG-OE1 3.36Å; R822-E829 HydrophobicContact CG-CG 4.19Å; R822-E829 IonicContact CZ-OE1 3.16Å; R822-E829 IonicContact NE-OE1 3.5Å; R822-E829 PolarHBondContact NE-OE1 3.3Å; R822-E829 IonicContact NH2-OE1 3.77Å; R822-E829 PolarHBondContact NH2-OE1 3.44Å; G827-E829 PolarHBondContact O-N 3Å; E829-Y831 HydrophobicContact CB-CE2 3.95Å; E829-Y831 PolarHBondContact OE2-OH 2.74Å
830	F	72.3	Confident	66.1	Low	40 Å²	40	77.4 Å²	77.4	18%	0.175	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.4	178.6	-62.3	-83.8	0	0	0	111.1	Y821 C823 K828 L835 F836 H839	Y821-F830 WeakPolarHBondContact CA-O 3.45Å; Y821-F830 VanDerWaalsContact CB-O 3.25Å; Y821-F830 WeakPolarHBondContact CB-O 3.45Å; Y821-F830 VanDerWaalsContact CD2-O 3.3Å; Y821-F830 WeakPolarHBondContact CD2-O 3.28Å; Y821-F830 PolarHBondContact N-O 2.85Å; Y821-F830 PolarHBondContact O-N 2.74Å; C823-F830 HydrophobicContact CB-CE2 4.44Å; K828-F830 HydrophobicContact CB-CE2 3.59Å; K828-F830 HydrophobicContact CB-CZ 3.86Å; K828-F830 WeakPolarHBondContact O-CD2 3.46Å; K828-F830 WeakPolarHBondContact O-CE2 3.44Å; F830-L835 HydrophobicContact CD1-CB 4.16Å; F830-F836 HydrophobicContact CB-CB 3.84Å; F830-F836 HydrophobicContact CB-CD2 4.43Å; F830-F836 HydrophobicContact CD2-CD2 4.06Å; F830-F836 HydrophobicContact CG-CB 4.38Å; F830-H839 HydrophobicContact CD1-CB 4.35Å; F830-H839 HydrophobicContact CD2-CB 4.41Å; F830-H839 HydrophobicContact CE1-CB 3.75Å; F830-H839 HydrophobicContact CE2-CB 3.83Å; F830-H839 AromaticContact CE2-CD2 3.21Å; F830-H839 WeakPolarHBondContact CE2-CD2 3.49Å; F830-H839 AromaticContact CE2-CG 3.37Å; F830-H839 AromaticContact CE2-ND1 3.97Å; F830-H839 AromaticContact CE2-NE2 3.78Å; F830-H839 HydrophobicContact CZ-CB 3.47Å; F830-H839 VanDerWaalsContact CZ-CB 3.47Å; F830-H839 AromaticContact CZ-CD2 3.59Å; F830-H839 AromaticContact CZ-CG 3.19Å; F830-H839 AromaticContact CZ-ND1 3.54Å
831	Y	68.4	Low	65.8	Low	71 Å²	71	85.4 Å²	85.4	28%	0.278	40%	0.402	S	S	.	.	S	Bend	trans	-92	-7.8	-173.9	-62	-99.2	0	0	0	113.4	S814 V817 P820 E829	S814-Y831 VanDerWaalsContact CB-CB 3.49Å; S814-Y831 VanDerWaalsContact CB-CD2 3.47Å; V817-Y831 HydrophobicContact CB-CD1 4.35Å; P820-Y831 HydrophobicContact CB-CD1 3.94Å; P820-Y831 HydrophobicContact CB-CD2 4.34Å; P820-Y831 HydrophobicContact CB-CE1 3.62Å; P820-Y831 HydrophobicContact CB-CE2 3.97Å; P820-Y831 HydrophobicContact CB-CG 4.31Å; P820-Y831 HydrophobicContact CG-CE1 3.89Å; E829-Y831 HydrophobicContact CB-CE2 3.95Å; E829-Y831 PolarHBondContact OE2-OH 2.74Å
832	E	68.3	Low	65.1	Low	51 Å²	51	89.9 Å²	89.9	24%	0.238	42%	0.423	C	S	.	.	S	Bend	trans	-112.3	129.2	165.2	-165.6	-165.2	179.1	0	0	111	K806 A834 L835 F836	K806-E832 WeakPolarHBondContact CE-OE1 3.47Å; K806-E832 VanDerWaalsContact CE-OE2 3.26Å; K806-E832 WeakPolarHBondContact CE-OE2 3.19Å; K806-E832 IonicContact NZ-OE1 2.82Å; K806-E832 PolarHBondContact NZ-OE1 2.8Å; K806-E832 IonicContact NZ-OE2 2.8Å; K806-E832 PolarHBondContact NZ-OE2 3.1Å; K806-E832 VanDerWaalsContact NZ-OE2 3.15Å; E832-A834 HydrophobicContact CG-CB 4.09Å; E832-A834 PolarHBondContact O-N 2.71Å; E832-A834 VanDerWaalsContact O-N 3.07Å; E832-A834 WeakPolarHBondContact OE1-CB 3.41Å; E832-L835 HydrophobicContact CB-CB 4.24Å; E832-L835 HydrophobicContact CB-CD1 4.02Å; E832-L835 HydrophobicContact CB-CG 3.96Å; E832-L835 PolarHBondContact O-N 2.8Å; E832-F836 PolarHBondContact O-N 3.19Å
833	K	67.6	Low	64.7	Low	111 Å²	111	83.7 Å²	83.7	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-23.8	176	-160.1	167.8	-170.5	163.8	0	113.4	Y821 R837	Y821-K833 HydrophobicContact CD2-CB 4.16Å; Y821-K833 HydrophobicContact CE1-CD 4.4Å; Y821-K833 HydrophobicContact CE1-CG 4.41Å; Y821-K833 HydrophobicContact CE2-CB 3.55Å; Y821-K833 HydrophobicContact CE2-CG 4.09Å; K833-R837 WeakPolarHBondContact O-CB 3.26Å; K833-R837 WeakPolarHBondContact O-CD 3.26Å; K833-R837 WeakPolarHBondContact O-CG 3.43Å; K833-R837 PolarHBondContact O-N 3.43Å
834	A	68.3	Low	63.8	Low	41 Å²	41	89.5 Å²	89.5	34%	0.339	44%	0.441	S	S	.	.	H	α-helix	trans	-78.4	-37.9	174.1	0	0	0	0	0	112.6	E832 R837 R838	E832-A834 HydrophobicContact CG-CB 4.09Å; E832-A834 PolarHBondContact O-N 2.71Å; E832-A834 VanDerWaalsContact O-N 3.07Å; E832-A834 WeakPolarHBondContact OE1-CB 3.41Å; A834-R837 PolarHBondContact O-N 3.08Å; A834-R838 WeakPolarHBondContact O-CB 3.17Å; A834-R838 PolarHBondContact O-N 2.81Å
835	L	69.6	Low	63.6	Low	38 Å²	38	85 Å²	85	20%	0.199	42%	0.415	C	S	.	.	H	α-helix	trans	-67	-43.9	171.9	-64.8	176.8	0	0	0	110.6	F830 E832 R837 R838 H839	F830-L835 HydrophobicContact CD1-CB 4.16Å; E832-L835 HydrophobicContact CB-CB 4.24Å; E832-L835 HydrophobicContact CB-CD1 4.02Å; E832-L835 HydrophobicContact CB-CG 3.96Å; E832-L835 PolarHBondContact O-N 2.8Å; L835-R837 PolarHBondContact O-N 3.3Å; L835-R838 VanDerWaalsContact CD2-NH1 3.35Å; L835-R838 PolarHBondContact O-N 2.77Å; L835-R838 VanDerWaalsContact O-N 3.16Å; L835-H839 WeakPolarHBondContact O-CB 3.38Å; L835-H839 PolarHBondContact O-N 3.03Å
836	F	71.2	Confident	63	Low	50 Å²	50	80.5 Å²	80.5	22%	0.219	40%	0.396	C	S	.	.	H	α-helix	trans	-54.3	-51	170.7	178.6	-107.8	0	0	0	111.9	Y821 R822 C823 F830 E832 R838 H839 V840	Y821-F836 HydrophobicContact CD2-CB 4.41Å; Y821-F836 HydrophobicContact CG-CB 4.27Å; Y821-F836 HydrophobicContact CG-CG 4.27Å; Y821-F836 WeakPolarHBondContact O-CD2 3.47Å; R822-F836 WeakPolarHBondContact O-CE2 3.46Å; C823-F836 HydrophobicContact CB-CE2 4.44Å; F830-F836 HydrophobicContact CB-CB 3.84Å; F830-F836 HydrophobicContact CB-CD2 4.43Å; F830-F836 HydrophobicContact CD2-CD2 4.06Å; F830-F836 HydrophobicContact CG-CB 4.38Å; E832-F836 PolarHBondContact O-N 3.19Å; F836-R838 VanDerWaalsContact C-N 3.33Å; F836-R838 PolarHBondContact O-N 2.99Å; F836-H839 PolarHBondContact O-N 3.15Å; F836-V840 HydrophobicContact CD1-CG2 4.43Å; F836-V840 HydrophobicContact CD2-CG2 4.09Å; F836-V840 HydrophobicContact CE1-CG2 4.1Å; F836-V840 HydrophobicContact CE2-CG2 3.73Å; F836-V840 HydrophobicContact CG-CG2 4.44Å; F836-V840 HydrophobicContact CZ-CG2 3.74Å; F836-V840 WeakPolarHBondContact O-CB 3.27Å; F836-V840 WeakPolarHBondContact O-CG2 3.21Å; F836-V840 PolarHBondContact O-N 2.91Å
837	R	67.9	Low	62.6	Low	172 Å²	172	88.4 Å²	88.4	65%	0.649	43%	0.425	S	S	*	.	H	α-helix	trans	-63.2	-34.6	176.8	-78.9	170.7	169.6	-177.1	-4.8	113.3	K833 A834 L835 K841	K833-R837 WeakPolarHBondContact O-CB 3.26Å; K833-R837 WeakPolarHBondContact O-CD 3.26Å; K833-R837 WeakPolarHBondContact O-CG 3.43Å; K833-R837 PolarHBondContact O-N 3.43Å; A834-R837 PolarHBondContact O-N 3.08Å; L835-R837 PolarHBondContact O-N 3.3Å; R837-K841 VanDerWaalsContact O-CB 3.24Å; R837-K841 WeakPolarHBondContact O-CB 3.43Å; R837-K841 PolarHBondContact O-N 3.24Å; R837-K841 VanDerWaalsContact O-N 3.13Å
838	R	68.1	Low	61.8	Low	142 Å²	142	96.1 Å²	96.1	54%	0.536	44%	0.443	S	S	.	.	H	α-helix	trans	-69.1	-43.7	175.3	-169.3	-168.2	-60	157.5	1.4	110.6	A834 L835 F836 K841 K842	A834-R838 WeakPolarHBondContact O-CB 3.17Å; A834-R838 PolarHBondContact O-N 2.81Å; L835-R838 VanDerWaalsContact CD2-NH1 3.35Å; L835-R838 PolarHBondContact O-N 2.77Å; L835-R838 VanDerWaalsContact O-N 3.16Å; F836-R838 VanDerWaalsContact C-N 3.33Å; F836-R838 PolarHBondContact O-N 2.99Å; R838-K841 CarbonylContact O-C 3.56Å; R838-K841 PolarHBondContact O-N 3.08Å; R838-K842 VanDerWaalsContact O-CB 3.3Å; R838-K842 WeakPolarHBondContact O-CB 3.35Å; R838-K842 PolarHBondContact O-N 3.08Å
839	H	70.6	Confident	60.7	Low	30 Å²	30	92.4 Å²	92.4	14%	0.139	44%	0.442	C	S	.	.	H	α-helix	trans	-62.1	-52.2	174.4	166.6	69.9	0	0	0	111.2	C823 C826 F830 L835 F836 K841 K842 A843	C823-H839 WeakPolarHBondContact CB-NE2 3.25Å; C823-H839 PolarHBondContact SG-NE2 3.13Å; C826-H839 PolarHBondContact SG-CE1 3.02Å; C826-H839 PolarHBondContact SG-NE2 3.46Å; F830-H839 HydrophobicContact CD1-CB 4.35Å; F830-H839 HydrophobicContact CD2-CB 4.41Å; F830-H839 HydrophobicContact CE1-CB 3.75Å; F830-H839 HydrophobicContact CE2-CB 3.83Å; F830-H839 AromaticContact CE2-CD2 3.21Å; F830-H839 WeakPolarHBondContact CE2-CD2 3.49Å; F830-H839 AromaticContact CE2-CG 3.37Å; F830-H839 AromaticContact CE2-ND1 3.97Å; F830-H839 AromaticContact CE2-NE2 3.78Å; F830-H839 HydrophobicContact CZ-CB 3.47Å; F830-H839 VanDerWaalsContact CZ-CB 3.47Å; F830-H839 AromaticContact CZ-CD2 3.59Å; F830-H839 AromaticContact CZ-CG 3.19Å; F830-H839 AromaticContact CZ-ND1 3.54Å; L835-H839 WeakPolarHBondContact O-CB 3.38Å; L835-H839 PolarHBondContact O-N 3.03Å; F836-H839 PolarHBondContact O-N 3.15Å; H839-K841 PolarHBondContact O-N 2.91Å; H839-K842 PolarHBondContact O-N 2.79Å; H839-A843 WeakPolarHBondContact O-CB 3.41Å; H839-A843 PolarHBondContact O-N 2.99Å
840	V	66.8	Low	59.3	Low	29 Å²	29	100.4 Å²	100.4	18%	0.176	47%	0.47	C	S	.	.	H	α-helix	trans	-64.4	-10.3	177.1	172.3	0	0	0	0	113.3	F836 A843 G846	F836-V840 HydrophobicContact CD1-CG2 4.43Å; F836-V840 HydrophobicContact CD2-CG2 4.09Å; F836-V840 HydrophobicContact CE1-CG2 4.1Å; F836-V840 HydrophobicContact CE2-CG2 3.73Å; F836-V840 HydrophobicContact CG-CG2 4.44Å; F836-V840 HydrophobicContact CZ-CG2 3.74Å; F836-V840 WeakPolarHBondContact O-CB 3.27Å; F836-V840 WeakPolarHBondContact O-CG2 3.21Å; F836-V840 PolarHBondContact O-N 2.91Å; V840-A843 CarbonylContact C-O 3.58Å; V840-G846 VanDerWaalsContact CG1-CA 3.41Å; V840-G846 VanDerWaalsContact O-CA 3.28Å; V840-G846 WeakPolarHBondContact O-CA 3.29Å; V840-G846 PolarHBondContact O-N 3.27Å
841	K	62.6	Low	57.9	Low	193 Å²	193	103 Å²	103	84%	0.839	50%	0.499	S	S	*	.	H	α-helix	trans	-102.4	-16.6	170.9	-168.2	178.3	177.6	-168	0	113.8	R837 R838 H839	R837-K841 VanDerWaalsContact O-CB 3.24Å; R837-K841 WeakPolarHBondContact O-CB 3.43Å; R837-K841 PolarHBondContact O-N 3.24Å; R837-K841 VanDerWaalsContact O-N 3.13Å; R838-K841 CarbonylContact O-C 3.56Å; R838-K841 PolarHBondContact O-N 3.08Å; H839-K841 PolarHBondContact O-N 2.91Å
842	K	55.2	Low	56.9	Low	187 Å²	187	108.9 Å²	108.9	81%	0.813	53%	0.526	S	S	*	.	H	α-helix	trans	-109	-33.4	-177.8	-171.8	172.2	-179	176.8	0	112.9	R838 H839	R838-K842 VanDerWaalsContact O-CB 3.3Å; R838-K842 WeakPolarHBondContact O-CB 3.35Å; R838-K842 PolarHBondContact O-N 3.08Å; H839-K842 PolarHBondContact O-N 2.79Å
843	A	54	Low	55.6	Low	27 Å²	27	113.7 Å²	113.7	22%	0.223	55%	0.548	C	S	.	.	S	Bend	trans	-82.9	146	151.9	0	0	0	0	0	108.5	H839 V840 H845	H839-A843 WeakPolarHBondContact O-CB 3.41Å; H839-A843 PolarHBondContact O-N 2.99Å; V840-A843 CarbonylContact C-O 3.58Å; A843-H845 PolarHBondContact O-N 2.99Å
844	T	50.8	Low	54.5	Low	125 Å²	125	116.2 Å²	116.2	77%	0.767	57%	0.567	S	S	*	*	S	Bend	trans	-80.7	48.5	-160.9	43.2	0	0	0	0	113.8
845	H	54.9	Low	53.7	Low	60 Å²	60	118.5 Å²	118.5	28%	0.278	57%	0.573	S	S	.	*			trans	-128.6	1.9	-160.2	-59.5	-23.5	0	0	0	115.1	I825 A843	I825-H845 HydrophobicContact CB-CB 4.43Å; I825-H845 HydrophobicContact CD1-CB 3.82Å; I825-H845 VanDerWaalsContact CG2-CE1 3.49Å; I825-H845 WeakPolarHBondContact CG2-CE1 3.24Å; A843-H845 PolarHBondContact O-N 2.99Å
846	G	40.2	Very low	53.3	Low	17 Å²	17	121.4 Å²	121.4	18%	0.175	59%	0.586	C	S	.	*	S	Bend	trans	-86.3	142.4	-178.2	0	0	0	0	0	114.4	V840 K848 G849	V840-G846 VanDerWaalsContact CG1-CA 3.41Å; V840-G846 VanDerWaalsContact O-CA 3.28Å; V840-G846 WeakPolarHBondContact O-CA 3.29Å; V840-G846 PolarHBondContact O-N 3.27Å; G846-K848 PolarHBondContact O-N 3.08Å; G846-G849 PolarHBondContact O-N 3.03Å
847	K	46.7	Very low	53.1	Low	216 Å²	216	124 Å²	124	94%	0.939	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	17.7	176.1	-65.7	-168.6	175	-171.9	0	115.9
848	K	42	Very low	53.3	Low	216 Å²	216	118.9 Å²	118.9	94%	0.939	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	17.4	165.3	-72.4	-158.8	173.5	-164.4	0	113	G846	G846-K848 PolarHBondContact O-N 3.08Å
849	G	40.4	Very low	53.8	Low	54 Å²	54	112.1 Å²	112.1	56%	0.557	56%	0.556	S	S	*	*	S	Bend	trans	-127.2	24	176.1	0	0	0	0	0	113	G846	G846-G849 PolarHBondContact O-N 3.03Å
850	R	40.6	Very low	54	Low	238 Å²	238	119 Å²	119	90%	0.898	59%	0.589	S	S	*	*			trans	-128.1	55.1	178.7	-162	180	-172.9	177.4	2.4	110.4
851	A	42.5	Very low	54.1	Low	96 Å²	96	123.6 Å²	123.6	79%	0.793	61%	0.606	S	S	*	*	S	Bend	trans	-141.1	-8.3	-180	0	0	0	0	0	114.2
852	K	46.6	Very low	54.8	Low	194 Å²	194	117 Å²	117	84%	0.843	58%	0.584	S	S	*	*	S	Bend	trans	-159.4	156.1	160.1	-116.5	175.4	-178.1	-175.3	0	109.1
853	Q	40.8	Very low	55.7	Low	152 Å²	152	110.3 Å²	110.3	71%	0.71	57%	0.568	S	S	*	*			trans	61.3	66.7	176.9	-64.9	-176.8	-8.1	0	0	116.4	L855	Q853-L855 HydrophobicContact CB-CB 4.07Å; Q853-L855 HydrophobicContact CG-CB 4.15Å; Q853-L855 HydrophobicContact CG-CD1 4.48Å; Q853-L855 PolarHBondContact O-N 2.88Å
854	N	45.6	Very low	56.7	Low	164 Å²	164	117 Å²	117	88%	0.877	59%	0.587	S	S	*	*				-65.3	91.4	114.9	-85.1	3.6	0	0	0	105.4	E856	N854-E856 PolarHBondContact O-N 2.95Å
855	L	51.8	Low	58	Low	89 Å²	89	117.4 Å²	117.4	47%	0.466	58%	0.578	S	S	.	*			trans	-91.4	92.4	171.1	-169.5	74.3	0	0	0	106.2	Q853 R857	Q853-L855 HydrophobicContact CB-CB 4.07Å; Q853-L855 HydrophobicContact CG-CB 4.15Å; Q853-L855 HydrophobicContact CG-CD1 4.48Å; Q853-L855 PolarHBondContact O-N 2.88Å; L855-R857 HydrophobicContact CD2-CG 4.43Å; L855-R857 PolarHBondContact O-N 2.9Å
856	E	59.5	Low	59	Low	99 Å²	99	116.1 Å²	116.1	46%	0.463	57%	0.572	S	S	.	*			trans	-58.7	108.7	167.7	-64.5	-175.3	161.5	0	0	107.2	N854 V858 K865	N854-E856 PolarHBondContact O-N 2.95Å; E856-V858 PolarHBondContact O-N 3.03Å; E856-K865 WeakPolarHBondContact OE2-CD 3.48Å; E856-K865 WeakPolarHBondContact OE2-CE 3.41Å; E856-K865 IonicContact OE2-NZ 3.75Å; E856-K865 PolarHBondContact OE2-NZ 3.12Å
857	R	67.6	Low	60.4	Low	103 Å²	103	121.1 Å²	121.1	39%	0.389	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.3	99.5	176.3	-69.7	-170	169.3	-117.3	-3.3	107.6	L855 F866 Y872	L855-R857 HydrophobicContact CD2-CG 4.43Å; L855-R857 PolarHBondContact O-N 2.9Å; R857-F866 PolarHBondContact N-O 2.99Å; R857-F866 PolarHBondContact O-N 2.74Å; R857-Y872 HydrophobicContact CB-CD2 3.37Å; R857-Y872 HydrophobicContact CB-CE2 3.71Å; R857-Y872 HydrophobicContact CB-CG 3.82Å
858	V	73.3	Confident	61.2	Low	66 Å²	66	115.8 Å²	115.8	40%	0.4	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.4	129.6	169.4	-168.3	0	0	0	0	107.5	E856 E860 G863 R864 K865 Y872	E856-V858 PolarHBondContact O-N 3.03Å; V858-E860 PolarHBondContact O-N 2.9Å; V858-G863 WeakPolarHBondContact CG1-O 3.44Å; V858-R864 CarbonylContact C-O 3.57Å; V858-K865 HydrophobicContact CG2-CG 4.29Å; V858-Y872 WeakPolarHBondContact O-CE2 3.41Å
859	C	78.5	Confident	62.2	Low	0 Å²	0	110 Å²	110	0%	0	56%	0.557	C	S	.	*			trans	-73.4	115.9	168.3	178.1	0	0	0	0	109.1	K861 C862 G863 R864 F866 H875 M876	C859-K861 PolarHBondContact O-N 2.88Å; C859-K861 PolarHBondContact SG-N 2.83Å; C859-C862 PolarHBondContact O-N 3.25Å; C859-C862 VanDerWaalsContact O-N 3.16Å; C859-G863 WeakPolarHBondContact O-CA 3.38Å; C859-G863 PolarHBondContact O-N 2.72Å; C859-R864 PolarHBondContact N-O 3.33Å; C859-F866 HydrophobicContact CB-CE2 4.44Å; C859-H875 VanDerWaalsContact CB-NE2 3.27Å; C859-H875 WeakPolarHBondContact CB-NE2 3.36Å; C859-H875 PolarHBondContact SG-NE2 3.27Å; C859-M876 HydrophobicContact CB-CE 4.37Å; C859-M876 VanDerWaalsContact SG-CE 3.56Å
860	E	73.9	Confident	63.3	Low	175 Å²	175	116.9 Å²	116.9	82%	0.818	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-27.9	178.2	-71.4	147.6	-167	0	0	112.4	V858	V858-E860 PolarHBondContact O-N 2.9Å
861	K	69.5	Low	64.6	Low	125 Å²	125	108.3 Å²	108.3	54%	0.543	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.6	178.6	-69.7	178.9	170	178.1	0	115.8	C859 H879	C859-K861 PolarHBondContact O-N 2.88Å; C859-K861 PolarHBondContact SG-N 2.83Å; K861-H879 HydrophobicContact CB-CB 4.43Å; K861-H879 HydrophobicContact CD-CB 3.69Å; K861-H879 PolarHBondContact NZ-O 3.45Å
862	C	77.3	Confident	66	Low	55 Å²	55	105.3 Å²	105.3	37%	0.372	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.5	16	174.4	72	0	0	0	0	116.9	C859 R864 H875 H879	C859-C862 PolarHBondContact O-N 3.25Å; C859-C862 VanDerWaalsContact O-N 3.16Å; C862-R864 PolarHBondContact O-N 2.78Å; C862-R864 VanDerWaalsContact SG-CG 3.58Å; C862-H875 PolarHBondContact SG-CE1 3.28Å; C862-H875 PolarHBondContact SG-NE2 2.97Å; C862-H879 PolarHBondContact SG-NE2 3.01Å
863	G	74.1	Confident	67	Low	46 Å²	46	102.6 Å²	102.6	47%	0.474	49%	0.489	S	S	.	.			trans	68.8	-7.9	178.6	0	0	0	0	0	116.4	V858 C859 K865	V858-G863 WeakPolarHBondContact CG1-O 3.44Å; C859-G863 WeakPolarHBondContact O-CA 3.38Å; C859-G863 PolarHBondContact O-N 2.72Å; G863-K865 PolarHBondContact O-N 2.73Å
864	R	74.6	Confident	68.5	Low	166 Å²	166	100.1 Å²	100.1	63%	0.626	47%	0.473	S	S	*	.			trans	-65.4	127.4	-174.5	-72.6	-179.4	179.2	-177.2	0.8	111.9	V858 C859 C862 F866	V858-R864 CarbonylContact C-O 3.57Å; C859-R864 PolarHBondContact N-O 3.33Å; C862-R864 PolarHBondContact O-N 2.78Å; C862-R864 VanDerWaalsContact SG-CG 3.58Å; R864-F866 HydrophobicContact CB-CE2 3.54Å; R864-F866 HydrophobicContact CB-CZ 3.9Å; R864-F866 VanDerWaalsContact O-CD2 3.24Å; R864-F866 WeakPolarHBondContact O-CD2 3.28Å; R864-F866 VanDerWaalsContact O-CE2 3.23Å; R864-F866 WeakPolarHBondContact O-CE2 3.19Å
865	K	77	Confident	69.9	Low	134 Å²	134	93.2 Å²	93.2	58%	0.583	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.1	-176.8	-64.6	-174	164.2	-160.9	0	112.3	E856 V858 G863	E856-K865 WeakPolarHBondContact OE2-CD 3.48Å; E856-K865 WeakPolarHBondContact OE2-CE 3.41Å; E856-K865 IonicContact OE2-NZ 3.75Å; E856-K865 PolarHBondContact OE2-NZ 3.12Å; V858-K865 HydrophobicContact CG2-CG 4.29Å; G863-K865 PolarHBondContact O-N 2.73Å
866	F	76.3	Confident	70.8	Confident	33 Å²	33	89.9 Å²	89.9	15%	0.145	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	178.6	-63	-87.8	0	0	0	112.2	R857 C859 R864 E871 Y872 H875	R857-F866 PolarHBondContact N-O 2.99Å; R857-F866 PolarHBondContact O-N 2.74Å; C859-F866 HydrophobicContact CB-CE2 4.44Å; R864-F866 HydrophobicContact CB-CE2 3.54Å; R864-F866 HydrophobicContact CB-CZ 3.9Å; R864-F866 VanDerWaalsContact O-CD2 3.24Å; R864-F866 WeakPolarHBondContact O-CD2 3.28Å; R864-F866 VanDerWaalsContact O-CE2 3.23Å; R864-F866 WeakPolarHBondContact O-CE2 3.19Å; F866-E871 HydrophobicContact CD1-CB 3.77Å; F866-E871 HydrophobicContact CE1-CB 4.46Å; F866-Y872 HydrophobicContact CB-CD2 4.4Å; F866-Y872 AromaticContact CD2-CD2 4Å; F866-Y872 HydrophobicContact CD2-CD2 4Å; F866-Y872 HydrophobicContact CG-CD2 4.5Å; F866-H875 HydrophobicContact CE1-CB 4.11Å; F866-H875 HydrophobicContact CE2-CB 4.11Å; F866-H875 AromaticContact CE2-CD2 3.03Å; F866-H875 WeakPolarHBondContact CE2-CD2 3.38Å; F866-H875 AromaticContact CE2-CG 3.67Å; F866-H875 AromaticContact CE2-NE2 3.59Å; F866-H875 HydrophobicContact CZ-CB 3.67Å; F866-H875 AromaticContact CZ-CD2 3.29Å; F866-H875 WeakPolarHBondContact CZ-CD2 3.3Å; F866-H875 AromaticContact CZ-CG 3.4Å; F866-H875 VanDerWaalsContact CZ-CG 3.4Å; F866-H875 AromaticContact CZ-NE2 3.85Å
867	T	69.1	Low	71.5	Confident	122 Å²	122	86.3 Å²	86.3	75%	0.748	40%	0.402	S	S	*	.	S	Bend	trans	-85.4	-15.5	176.2	57.9	0	0	0	0	113
868	Q	64.6	Low	71.5	Confident	104 Å²	104	86.9 Å²	86.9	49%	0.486	41%	0.413	S	S	.	.	S	Bend	trans	-122.2	128.5	179.3	-58.5	-176.7	76.1	0	0	111.6	R870 E871 Y872	Q868-R870 PolarHBondContact O-N 2.82Å; Q868-R870 VanDerWaalsContact O-N 3.14Å; Q868-E871 HydrophobicContact CB-CB 4.33Å; Q868-E871 HydrophobicContact CB-CG 4Å; Q868-E871 WeakPolarHBondContact CB-OE2 3.41Å; Q868-E871 WeakPolarHBondContact CG-OE2 3.4Å; Q868-E871 PolarHBondContact NE2-OE1 3.39Å; Q868-E871 PolarHBondContact NE2-OE2 3.43Å; Q868-E871 PolarHBondContact O-N 3.27Å; Q868-Y872 PolarHBondContact O-N 3.29Å
869	L	63.5	Low	71.3	Confident	95 Å²	95	86.9 Å²	86.9	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-57.4	-30.2	178.3	-178.8	61.6	0	0	0	113.7	Y872 R873	L869-Y872 HydrophobicContact CD1-CD1 4.4Å; L869-R873 WeakPolarHBondContact O-CB 3.21Å; L869-R873 PolarHBondContact O-N 2.76Å
870	R	61.8	Low	70.7	Confident	198 Å²	198	92 Å²	92	75%	0.747	43%	0.432	S	S	*	.	H	α-helix	trans	-66.4	-39	174.5	176.4	178.2	-72	-83.6	-0.1	112.1	Q868 R874	Q868-R870 PolarHBondContact O-N 2.82Å; Q868-R870 VanDerWaalsContact O-N 3.14Å; R870-R874 WeakPolarHBondContact O-CB 3.48Å; R870-R874 PolarHBondContact O-N 3.31Å; R870-R874 VanDerWaalsContact O-N 3.09Å
871	E	68.1	Low	70.2	Confident	59 Å²	59	86.1 Å²	86.1	28%	0.276	42%	0.418	S	S	.	.	H	α-helix	trans	-76.4	-39.1	-177.6	-60.9	-179.7	134	0	0	110.4	F866 Q868 H875	F866-E871 HydrophobicContact CD1-CB 3.77Å; F866-E871 HydrophobicContact CE1-CB 4.46Å; Q868-E871 HydrophobicContact CB-CB 4.33Å; Q868-E871 HydrophobicContact CB-CG 4Å; Q868-E871 WeakPolarHBondContact CB-OE2 3.41Å; Q868-E871 WeakPolarHBondContact CG-OE2 3.4Å; Q868-E871 PolarHBondContact NE2-OE1 3.39Å; Q868-E871 PolarHBondContact NE2-OE2 3.43Å; Q868-E871 PolarHBondContact O-N 3.27Å; E871-H875 VanDerWaalsContact O-CB 3.28Å; E871-H875 WeakPolarHBondContact O-CB 3.37Å; E871-H875 PolarHBondContact O-N 3.24Å; E871-H875 VanDerWaalsContact O-N 3.09Å
872	Y	71.7	Confident	69.9	Low	32 Å²	32	84 Å²	84	13%	0.125	42%	0.415	C	S	.	.	H	α-helix	trans	-55.8	-52.3	168	-177.8	-97.9	0	0	0	112.2	R857 V858 F866 Q868 L869 H875 M876	R857-Y872 HydrophobicContact CB-CD2 3.37Å; R857-Y872 HydrophobicContact CB-CE2 3.71Å; R857-Y872 HydrophobicContact CB-CG 3.82Å; V858-Y872 WeakPolarHBondContact O-CE2 3.41Å; F866-Y872 HydrophobicContact CB-CD2 4.4Å; F866-Y872 AromaticContact CD2-CD2 4Å; F866-Y872 HydrophobicContact CD2-CD2 4Å; F866-Y872 HydrophobicContact CG-CD2 4.5Å; Q868-Y872 PolarHBondContact O-N 3.29Å; L869-Y872 HydrophobicContact CD1-CD1 4.4Å; Y872-H875 WeakPolarHBondContact O-CB 3.35Å; Y872-H875 PolarHBondContact O-N 2.79Å; Y872-H875 VanDerWaalsContact O-N 3.13Å; Y872-M876 HydrophobicContact CD1-CG 4.4Å; Y872-M876 HydrophobicContact CE1-CG 3.91Å; Y872-M876 HydrophobicContact CE2-CE 4.27Å; Y872-M876 HydrophobicContact CE2-CG 4.49Å; Y872-M876 PolarHBondContact O-N 3.44Å; Y872-M876 WeakPolarHBondContact OH-CE 3.41Å
873	R	69.5	Low	69.5	Low	137 Å²	137	87.5 Å²	87.5	52%	0.517	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-51.1	-178.3	-175	174.4	-69.7	-167.8	-7.8	111.6	L869 H875 M876 N877	L869-R873 WeakPolarHBondContact O-CB 3.21Å; L869-R873 PolarHBondContact O-N 2.76Å; R873-H875 PolarHBondContact O-N 2.96Å; R873-H875 VanDerWaalsContact O-N 3.08Å; R873-M876 PolarHBondContact O-N 3.01Å; R873-N877 WeakPolarHBondContact CG-OD1 3.41Å; R873-N877 PolarHBondContact O-N 3.2Å; R873-N877 PolarHBondContact O-OD1 2.88Å
874	R	71.4	Confident	69.3	Low	100 Å²	100	87.4 Å²	87.4	38%	0.377	42%	0.416	S	S	.	.	H	α-helix	trans	-51.2	-36.7	174.1	177.3	-173.6	64.8	-163.2	-6	112.5	R870 N878 D896	R870-R874 WeakPolarHBondContact O-CB 3.48Å; R870-R874 PolarHBondContact O-N 3.31Å; R870-R874 VanDerWaalsContact O-N 3.09Å; R874-N878 PolarHBondContact O-N 3.02Å; R874-N878 PolarHBondContact O-OD1 3.45Å; R874-D896 WeakPolarHBondContact CD-OD2 3.38Å; R874-D896 HydrophobicContact CG-CB 4.44Å; R874-D896 IonicContact NH1-OD2 2.97Å
875	H	75.1	Confident	69.2	Low	20 Å²	20	81.7 Å²	81.7	9%	0.093	40%	0.395	C	S	.	.	H	α-helix	trans	-76.3	-36.2	179.1	170.4	56.7	0	0	0	113.1	C859 C862 F866 E871 Y872 R873 N878 H879	C859-H875 VanDerWaalsContact CB-NE2 3.27Å; C859-H875 WeakPolarHBondContact CB-NE2 3.36Å; C859-H875 PolarHBondContact SG-NE2 3.27Å; C862-H875 PolarHBondContact SG-CE1 3.28Å; C862-H875 PolarHBondContact SG-NE2 2.97Å; F866-H875 HydrophobicContact CE1-CB 4.11Å; F866-H875 HydrophobicContact CE2-CB 4.11Å; F866-H875 AromaticContact CE2-CD2 3.03Å; F866-H875 WeakPolarHBondContact CE2-CD2 3.38Å; F866-H875 AromaticContact CE2-CG 3.67Å; F866-H875 AromaticContact CE2-NE2 3.59Å; F866-H875 HydrophobicContact CZ-CB 3.67Å; F866-H875 AromaticContact CZ-CD2 3.29Å; F866-H875 WeakPolarHBondContact CZ-CD2 3.3Å; F866-H875 AromaticContact CZ-CG 3.4Å; F866-H875 VanDerWaalsContact CZ-CG 3.4Å; F866-H875 AromaticContact CZ-NE2 3.85Å; E871-H875 VanDerWaalsContact O-CB 3.28Å; E871-H875 WeakPolarHBondContact O-CB 3.37Å; E871-H875 PolarHBondContact O-N 3.24Å; E871-H875 VanDerWaalsContact O-N 3.09Å; Y872-H875 WeakPolarHBondContact O-CB 3.35Å; Y872-H875 PolarHBondContact O-N 2.79Å; Y872-H875 VanDerWaalsContact O-N 3.13Å; R873-H875 PolarHBondContact O-N 2.96Å; R873-H875 VanDerWaalsContact O-N 3.08Å; H875-N878 WeakPolarHBondContact O-CB 3.45Å; H875-N878 PolarHBondContact O-N 3.32Å; H875-H879 AromaticContact CE1-CD2 3.36Å; H875-H879 PolarHBondContact CE1-CD2 3.08Å; H875-H879 AromaticContact CE1-NE2 3.11Å; H875-H879 PolarHBondContact CE1-NE2 3.11Å; H875-H879 AromaticContact ND1-CD2 3.88Å; H875-H879 AromaticContact ND1-NE2 3.99Å; H875-H879 AromaticContact NE2-CD2 3.68Å; H875-H879 AromaticContact NE2-NE2 3.53Å; H875-H879 PolarHBondContact O-CD2 3.45Å; H875-H879 PolarHBondContact O-N 3.22Å
876	M	70.4	Confident	69.1	Low	18 Å²	18	80.1 Å²	80.1	9%	0.089	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-39.4	170.7	-78	-55.9	-157.4	0	0	112.5	C859 Y872 R873 N878 H879 E880	C859-M876 HydrophobicContact CB-CE 4.37Å; C859-M876 VanDerWaalsContact SG-CE 3.56Å; Y872-M876 HydrophobicContact CD1-CG 4.4Å; Y872-M876 HydrophobicContact CE1-CG 3.91Å; Y872-M876 HydrophobicContact CE2-CE 4.27Å; Y872-M876 HydrophobicContact CE2-CG 4.49Å; Y872-M876 PolarHBondContact O-N 3.44Å; Y872-M876 WeakPolarHBondContact OH-CE 3.41Å; R873-M876 PolarHBondContact O-N 3.01Å; M876-N878 PolarHBondContact O-N 2.86Å; M876-N878 VanDerWaalsContact O-N 3.11Å; M876-H879 CarbonylContact O-C 3.52Å; M876-H879 WeakPolarHBondContact O-CA 3.36Å; M876-H879 WeakPolarHBondContact O-CB 3.38Å; M876-H879 PolarHBondContact O-N 3.06Å; M876-H879 HydrophobicContact SD-CB 4.45Å; M876-E880 WeakPolarHBondContact O-CG 3.22Å; M876-E880 PolarHBondContact O-N 3.34Å
877	N	74.2	Confident	69.2	Low	25 Å²	25	78.7 Å²	78.7	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-52.6	-34.8	170.5	-76.7	73.8	0	0	0	112.7	R873 G881 V882 A895	R873-N877 WeakPolarHBondContact CG-OD1 3.41Å; R873-N877 PolarHBondContact O-N 3.2Å; R873-N877 PolarHBondContact O-OD1 2.88Å; N877-G881 PolarHBondContact O-N 3.02Å; N877-V882 PolarHBondContact O-N 2.68Å; N877-A895 HydrophobicContact CB-CB 3.74Å
878	N	68.4	Low	69.5	Low	115 Å²	115	79.6 Å²	79.6	62%	0.615	38%	0.384	S	S	*	.	H	α-helix	trans	-71.7	-27.3	173.9	-77.9	24	0	0	0	113.5	R874 H875 M876 A895	R874-N878 PolarHBondContact O-N 3.02Å; R874-N878 PolarHBondContact O-OD1 3.45Å; H875-N878 WeakPolarHBondContact O-CB 3.45Å; H875-N878 PolarHBondContact O-N 3.32Å; M876-N878 PolarHBondContact O-N 2.86Å; M876-N878 VanDerWaalsContact O-N 3.11Å; N878-A895 VanDerWaalsContact OD1-CB 3.26Å; N878-A895 WeakPolarHBondContact OD1-CB 3.38Å
879	H	68.9	Low	69.8	Low	66 Å²	66	79 Å²	79	31%	0.306	39%	0.387	S	S	.	.	H	α-helix	trans	-90.1	-11.5	177.8	-84.6	-69.4	0	0	0	114.2	K861 C862 H875 M876	K861-H879 HydrophobicContact CB-CB 4.43Å; K861-H879 HydrophobicContact CD-CB 3.69Å; K861-H879 PolarHBondContact NZ-O 3.45Å; C862-H879 PolarHBondContact SG-NE2 3.01Å; H875-H879 AromaticContact CE1-CD2 3.36Å; H875-H879 PolarHBondContact CE1-CD2 3.08Å; H875-H879 AromaticContact CE1-NE2 3.11Å; H875-H879 PolarHBondContact CE1-NE2 3.11Å; H875-H879 AromaticContact ND1-CD2 3.88Å; H875-H879 AromaticContact ND1-NE2 3.99Å; H875-H879 AromaticContact NE2-CD2 3.68Å; H875-H879 AromaticContact NE2-NE2 3.53Å; H875-H879 PolarHBondContact O-CD2 3.45Å; H875-H879 PolarHBondContact O-N 3.22Å; M876-H879 CarbonylContact O-C 3.52Å; M876-H879 WeakPolarHBondContact O-CA 3.36Å; M876-H879 WeakPolarHBondContact O-CB 3.38Å; M876-H879 PolarHBondContact O-N 3.06Å; M876-H879 HydrophobicContact SD-CB 4.45Å
880	E	64.6	Low	70.3	Confident	107 Å²	107	76.8 Å²	76.8	50%	0.5	38%	0.379	S	S	.	.	S	Bend	trans	-102.7	-4.7	176.9	-68.5	155.7	-174.2	0	0	111.1	M876 V882	M876-E880 WeakPolarHBondContact O-CG 3.22Å; M876-E880 PolarHBondContact O-N 3.34Å; E880-V882 HydrophobicContact CB-CG2 4.03Å; E880-V882 PolarHBondContact O-N 3.25Å
881	G	63.6	Low	70.8	Confident	51 Å²	51	70.3 Å²	70.3	53%	0.526	37%	0.374	S	S	.	.			trans	71.3	-19.5	-175.1	0	0	0	0	0	114.5	N877 K883	N877-G881 PolarHBondContact O-N 3.02Å; G881-K883 WeakPolarHBondContact O-CG 3.42Å; G881-K883 PolarHBondContact O-N 2.84Å; G881-K883 VanDerWaalsContact O-N 3.12Å
882	V	64.8	Low	71.3	Confident	80 Å²	80	71.1 Å²	71.1	49%	0.485	38%	0.383	S	S	.	.			trans	-59	111.1	-177.3	-174	0	0	0	0	111.3	N877 E880 P884	N877-V882 PolarHBondContact O-N 2.68Å; E880-V882 HydrophobicContact CB-CG2 4.03Å; E880-V882 PolarHBondContact O-N 3.25Å; V882-P884 HydrophobicContact CG1-CG 4.03Å; V882-P884 WeakPolarHBondContact O-CD 3.32Å
883	K	67.8	Low	71.5	Confident	129 Å²	129	70.8 Å²	70.8	56%	0.561	39%	0.386	S	S	*	.			trans	-114.2	82.1	178.6	-71.8	154.2	169.4	178.8	0	109.8	G881 F885 A893 W894	G881-K883 WeakPolarHBondContact O-CG 3.42Å; G881-K883 PolarHBondContact O-N 2.84Å; G881-K883 VanDerWaalsContact O-N 3.12Å; K883-F885 PolarHBondContact O-N 3.44Å; K883-A893 HydrophobicContact CB-CB 3.64Å; K883-A893 HydrophobicContact CD-CB 4.22Å; K883-A893 WeakPolarHBondContact CD-O 3.15Å; K883-A893 HydrophobicContact CG-CB 4.45Å; K883-W894 CarbonylContact C-O 3.59Å; K883-W894 WeakPolarHBondContact CA-O 3.49Å
884	P	69.7	Low	71.8	Confident	45 Å²	45	66.8 Å²	66.8	29%	0.292	37%	0.371	S	S	.	.			trans	-71.9	9.4	-170.1	-12	27	0	0	0	115.4	V882	V882-P884 HydrophobicContact CG1-CG 4.03Å; V882-P884 WeakPolarHBondContact O-CD 3.32Å
885	F	72.4	Confident	71.7	Confident	45 Å²	45	62.7 Å²	62.7	20%	0.197	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	82.9	-169.4	-56	-69.7	0	0	0	109	K883 A893 W894 A897 L900	K883-F885 PolarHBondContact O-N 3.44Å; F885-A893 WeakPolarHBondContact O-CA 3.48Å; F885-W894 WeakPolarHBondContact CB-O 3.48Å; F885-W894 PolarHBondContact N-O 3.23Å; F885-W894 VanDerWaalsContact O-CE3 3.3Å; F885-W894 PolarHBondContact O-N 3Å; F885-A897 HydrophobicContact CD1-CB 3.78Å; F885-A897 HydrophobicContact CD2-CB 4.25Å; F885-A897 VanDerWaalsContact CD2-N 3.34Å; F885-A897 HydrophobicContact CE1-CB 3.75Å; F885-A897 HydrophobicContact CE2-CB 4.21Å; F885-A897 HydrophobicContact CG-CB 4.04Å; F885-A897 HydrophobicContact CZ-CB 3.97Å; F885-L900 HydrophobicContact CB-CB 4.04Å; F885-L900 HydrophobicContact CB-CD2 3.84Å
886	E	76	Confident	71.5	Confident	101 Å²	101	63.5 Å²	63.5	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	154.7	172.9	68	-159.9	164.8	0	0	112.4	L888 V892 A893 L900	E886-L888 HydrophobicContact CG-CD2 4.46Å; E886-V892 CarbonylContact C-O 3.48Å; E886-A893 HydrophobicContact CB-CB 3.97Å; E886-L900 VanDerWaalsContact O-CD1 3.27Å; E886-L900 WeakPolarHBondContact O-CD1 3.32Å; E886-L900 WeakPolarHBondContact O-CD2 3.37Å
887	C	78.8	Confident	71.6	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.027	37%	0.37	C	S	.	.			trans	-97	112.5	167.7	-174.7	0	0	0	0	109.8	T889 C890 G891 V892 W894 L900	C887-T889 PolarHBondContact O-N 2.81Å; C887-T889 PolarHBondContact SG-N 3.32Å; C887-C890 PolarHBondContact O-N 3.25Å; C887-G891 PolarHBondContact O-N 2.98Å; C887-V892 PolarHBondContact N-O 2.97Å; C887-W894 HydrophobicContact CB-CH2 4Å; C887-W894 HydrophobicContact CB-CZ3 3.76Å; C887-L900 HydrophobicContact CB-CD1 3.75Å
888	L	74.1	Confident	71.6	Confident	141 Å²	141	71 Å²	71	74%	0.738	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.8	175.5	-57.8	173.5	0	0	0	113.8	E886	E886-L888 HydrophobicContact CG-CD2 4.46Å
889	T	71	Confident	72	Confident	90 Å²	90	67 Å²	67	55%	0.552	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.6	178.6	-40.5	0	0	0	0	113.7	C887 H907	C887-T889 PolarHBondContact O-N 2.81Å; C887-T889 PolarHBondContact SG-N 3.32Å; T889-H907 HydrophobicContact CG2-CB 4.05Å
890	C	73.6	Confident	72.5	Confident	50 Å²	50	64.3 Å²	64.3	34%	0.338	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	7	-178.8	72.8	0	0	0	0	116.4	C887 V892 H903 H907	C887-C890 PolarHBondContact O-N 3.25Å; C890-V892 PolarHBondContact O-N 3.18Å; C890-H903 PolarHBondContact SG-CE1 2.89Å; C890-H903 PolarHBondContact SG-NE2 3.09Å; C890-H907 WeakPolarHBondContact CB-NE2 3.48Å
891	G	73.4	Confident	73.2	Confident	61 Å²	61	62.9 Å²	62.9	63%	0.629	36%	0.356	S	S	*	.			trans	70.9	-16.9	178.9	0	0	0	0	0	116.2	C887	C887-G891 PolarHBondContact O-N 2.98Å
892	V	77.8	Confident	73.9	Confident	77 Å²	77	65.1 Å²	65.1	47%	0.467	35%	0.348	S	S	.	.			trans	-63.3	140.2	178.3	-176	0	0	0	0	110.1	E886 C887 C890 W894	E886-V892 CarbonylContact C-O 3.48Å; C887-V892 PolarHBondContact N-O 2.97Å; C890-V892 PolarHBondContact O-N 3.18Å; V892-W894 HydrophobicContact CB-CH2 3.66Å; V892-W894 HydrophobicContact CB-CZ2 4Å; V892-W894 HydrophobicContact CG1-CH2 3.62Å; V892-W894 HydrophobicContact CG1-CZ2 3.44Å; V892-W894 VanDerWaalsContact CG1-CZ2 3.44Å; V892-W894 VanDerWaalsContact O-CH2 3.26Å; V892-W894 WeakPolarHBondContact O-CH2 3.47Å; V892-W894 WeakPolarHBondContact O-CZ3 3.48Å
893	A	77.1	Confident	74.6	Confident	24 Å²	24	62.9 Å²	62.9	20%	0.198	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.8	-175.5	0	0	0	0	0	114.3	K883 F885 E886	K883-A893 HydrophobicContact CB-CB 3.64Å; K883-A893 HydrophobicContact CD-CB 4.22Å; K883-A893 WeakPolarHBondContact CD-O 3.15Å; K883-A893 HydrophobicContact CG-CB 4.45Å; F885-A893 WeakPolarHBondContact O-CA 3.48Å; E886-A893 HydrophobicContact CB-CB 3.97Å
894	W	73.9	Confident	75.1	Confident	54 Å²	54	58 Å²	58	21%	0.205	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153	179.7	-58.4	-88.4	0	0	0	112.9	K883 F885 C887 V892 D896 L900 H903	K883-W894 CarbonylContact C-O 3.59Å; K883-W894 WeakPolarHBondContact CA-O 3.49Å; F885-W894 WeakPolarHBondContact CB-O 3.48Å; F885-W894 PolarHBondContact N-O 3.23Å; F885-W894 VanDerWaalsContact O-CE3 3.3Å; F885-W894 PolarHBondContact O-N 3Å; C887-W894 HydrophobicContact CB-CH2 4Å; C887-W894 HydrophobicContact CB-CZ3 3.76Å; V892-W894 HydrophobicContact CB-CH2 3.66Å; V892-W894 HydrophobicContact CB-CZ2 4Å; V892-W894 HydrophobicContact CG1-CH2 3.62Å; V892-W894 HydrophobicContact CG1-CZ2 3.44Å; V892-W894 VanDerWaalsContact CG1-CZ2 3.44Å; V892-W894 VanDerWaalsContact O-CH2 3.26Å; V892-W894 WeakPolarHBondContact O-CH2 3.47Å; V892-W894 WeakPolarHBondContact O-CZ3 3.48Å; W894-D896 PolarHBondContact O-N 3.44Å; W894-L900 HydrophobicContact CE3-CB 3.79Å; W894-L900 HydrophobicContact CE3-CD1 3.76Å; W894-L900 HydrophobicContact CE3-CG 4.39Å; W894-L900 HydrophobicContact CZ3-CB 4.4Å; W894-L900 HydrophobicContact CZ3-CD1 3.51Å; W894-H903 HydrophobicContact CH2-CB 3.77Å; W894-H903 AromaticContact CH2-CD2 2.99Å; W894-H903 WeakPolarHBondContact CH2-CD2 3.41Å; W894-H903 AromaticContact CH2-CE1 3.88Å; W894-H903 AromaticContact CH2-CG 3.2Å; W894-H903 AromaticContact CH2-ND1 3.77Å; W894-H903 AromaticContact CH2-NE2 3.44Å; W894-H903 WeakPolarHBondContact CH2-NE2 3.49Å; W894-H903 HydrophobicContact CZ2-CB 3.56Å; W894-H903 AromaticContact CZ2-CD2 3.64Å; W894-H903 AromaticContact CZ2-CG 3.29Å; W894-H903 AromaticContact CZ2-ND1 3.68Å; W894-H903 HydrophobicContact CZ3-CB 4.35Å; W894-H903 AromaticContact CZ3-CD2 3.62Å
895	A	70.4	Confident	75.7	Confident	13 Å²	13	58.2 Å²	58.2	11%	0.107	31%	0.309	C	S	.	.	S	Bend	trans	-68.6	-6.5	169.7	0	0	0	0	0	114.7	N877 N878	N877-A895 HydrophobicContact CB-CB 3.74Å; N878-A895 VanDerWaalsContact OD1-CB 3.26Å; N878-A895 WeakPolarHBondContact OD1-CB 3.38Å
896	D	71.1	Confident	75.9	Confident	37 Å²	37	60 Å²	60	20%	0.198	32%	0.323	C	S	.	.	S	Bend	trans	-145.7	119.7	-166.1	-144.5	12.8	0	0	0	111	R874 W894 R898 S899 L900	R874-D896 WeakPolarHBondContact CD-OD2 3.38Å; R874-D896 HydrophobicContact CG-CB 4.44Å; R874-D896 IonicContact NH1-OD2 2.97Å; W894-D896 PolarHBondContact O-N 3.44Å; D896-R898 PolarHBondContact O-N 2.97Å; D896-S899 WeakPolarHBondContact O-CA 3.47Å; D896-S899 VanDerWaalsContact O-CB 3.32Å; D896-S899 WeakPolarHBondContact O-CB 3.21Å; D896-S899 PolarHBondContact O-N 3.29Å; D896-L900 PolarHBondContact O-N 2.91Å
897	A	71.3	Confident	75.8	Confident	27 Å²	27	60.1 Å²	60.1	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-21.6	-178.9	0	0	0	0	0	114.2	F885 K901	F885-A897 HydrophobicContact CD1-CB 3.78Å; F885-A897 HydrophobicContact CD2-CB 4.25Å; F885-A897 VanDerWaalsContact CD2-N 3.34Å; F885-A897 HydrophobicContact CE1-CB 3.75Å; F885-A897 HydrophobicContact CE2-CB 4.21Å; F885-A897 HydrophobicContact CG-CB 4.04Å; F885-A897 HydrophobicContact CZ-CB 3.97Å; A897-K901 WeakPolarHBondContact O-CB 3.37Å; A897-K901 PolarHBondContact O-N 2.88Å
898	R	74.6	Confident	75.5	Confident	173 Å²	173	63.6 Å²	63.6	65%	0.653	35%	0.345	S	S	*	.	H	α-helix	trans	-70.3	-32.7	172.4	-173.7	-173.5	-83.7	-151.4	-3.4	111.7	D896 R902 D949	D896-R898 PolarHBondContact O-N 2.97Å; R898-R902 PolarHBondContact O-N 2.86Å; R898-D949 IonicContact CZ-OD2 2.99Å; R898-D949 IonicContact NH1-OD2 2.82Å; R898-D949 PolarHBondContact NH1-OD2 3.03Å; R898-D949 IonicContact NH2-OD2 2.76Å; R898-D949 PolarHBondContact NH2-OD2 3.41Å; R898-D949 VanDerWaalsContact NH2-OD2 3.13Å
899	S	77.9	Confident	75.5	Confident	31 Å²	31	59 Å²	59	22%	0.217	33%	0.332	C	S	.	.	H	α-helix	trans	-72.9	-45.9	175.6	-61.3	0	0	0	0	110.7	D896 K901 R902 H903	D896-S899 WeakPolarHBondContact O-CA 3.47Å; D896-S899 VanDerWaalsContact O-CB 3.32Å; D896-S899 WeakPolarHBondContact O-CB 3.21Å; D896-S899 PolarHBondContact O-N 3.29Å; S899-K901 PolarHBondContact O-N 2.61Å; S899-R902 PolarHBondContact O-N 3.47Å; S899-R902 VanDerWaalsContact O-N 3.09Å; S899-H903 PolarHBondContact O-N 3.49Å
900	L	79.1	Confident	75.7	Confident	11 Å²	11	56.7 Å²	56.7	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-52.9	-54.7	170.6	173.5	61.4	0	0	0	111.2	F885 E886 C887 W894 D896 R902 H903 V904	F885-L900 HydrophobicContact CB-CB 4.04Å; F885-L900 HydrophobicContact CB-CD2 3.84Å; E886-L900 VanDerWaalsContact O-CD1 3.27Å; E886-L900 WeakPolarHBondContact O-CD1 3.32Å; E886-L900 WeakPolarHBondContact O-CD2 3.37Å; C887-L900 HydrophobicContact CB-CD1 3.75Å; W894-L900 HydrophobicContact CE3-CB 3.79Å; W894-L900 HydrophobicContact CE3-CD1 3.76Å; W894-L900 HydrophobicContact CE3-CG 4.39Å; W894-L900 HydrophobicContact CZ3-CB 4.4Å; W894-L900 HydrophobicContact CZ3-CD1 3.51Å; D896-L900 PolarHBondContact O-N 2.91Å; L900-R902 PolarHBondContact O-N 3.48Å; L900-H903 PolarHBondContact O-N 2.96Å; L900-V904 HydrophobicContact CD1-CG2 3.76Å; L900-V904 HydrophobicContact CG-CG2 4.23Å; L900-V904 WeakPolarHBondContact O-CG2 3.28Å; L900-V904 PolarHBondContact O-N 3.44Å
901	K	78.1	Confident	76	Confident	77 Å²	77	61.4 Å²	61.4	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-12.4	179.1	-82.2	-174.1	176.6	-84.9	0	115.3	A897 S899 R905 V960	A897-K901 WeakPolarHBondContact O-CB 3.37Å; A897-K901 PolarHBondContact O-N 2.88Å; S899-K901 PolarHBondContact O-N 2.61Å; K901-R905 PolarHBondContact O-NH1 3.01Å; K901-V960 PolarHBondContact NZ-O 3.1Å
902	R	79.6	Confident	76.2	Confident	97 Å²	97	61.8 Å²	61.8	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-87.8	-41.9	168.4	176.8	178.4	59.9	174.2	2.9	111.2	R898 S899 L900 R905 I923 D924	R898-R902 PolarHBondContact O-N 2.86Å; S899-R902 PolarHBondContact O-N 3.47Å; S899-R902 VanDerWaalsContact O-N 3.09Å; L900-R902 PolarHBondContact O-N 3.48Å; R902-R905 WeakPolarHBondContact O-CB 3.15Å; R902-R905 PolarHBondContact O-N 3.27Å; R902-I923 HydrophobicContact CG-CG2 4.39Å; R902-D924 WeakPolarHBondContact CD-OD2 3.31Å; R902-D924 HydrophobicContact CG-CB 4.21Å; R902-D924 IonicContact CZ-OD2 2.71Å; R902-D924 IonicContact NE-OD2 3.1Å; R902-D924 IonicContact NH1-OD2 3.17Å; R902-D924 PolarHBondContact NH1-OD2 3.45Å
903	H	79.4	Confident	76.2	Confident	34 Å²	34	62.2 Å²	62.2	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-38.3	178	162.4	81.6	0	0	0	112.4	C890 W894 S899 L900 R905 T906 H907	C890-H903 PolarHBondContact SG-CE1 2.89Å; C890-H903 PolarHBondContact SG-NE2 3.09Å; W894-H903 HydrophobicContact CH2-CB 3.77Å; W894-H903 AromaticContact CH2-CD2 2.99Å; W894-H903 WeakPolarHBondContact CH2-CD2 3.41Å; W894-H903 AromaticContact CH2-CE1 3.88Å; W894-H903 AromaticContact CH2-CG 3.2Å; W894-H903 AromaticContact CH2-ND1 3.77Å; W894-H903 AromaticContact CH2-NE2 3.44Å; W894-H903 WeakPolarHBondContact CH2-NE2 3.49Å; W894-H903 HydrophobicContact CZ2-CB 3.56Å; W894-H903 AromaticContact CZ2-CD2 3.64Å; W894-H903 AromaticContact CZ2-CG 3.29Å; W894-H903 AromaticContact CZ2-ND1 3.68Å; W894-H903 HydrophobicContact CZ3-CB 4.35Å; W894-H903 AromaticContact CZ3-CD2 3.62Å; S899-H903 PolarHBondContact O-N 3.49Å; L900-H903 PolarHBondContact O-N 2.96Å; H903-R905 PolarHBondContact O-N 2.93Å; H903-T906 PolarHBondContact O-N 3.18Å; H903-T906 PolarHBondContact O-OG1 3.33Å; H903-H907 AromaticContact CE1-CD2 3.74Å; H903-H907 AromaticContact NE2-CD2 3.37Å; H903-H907 PolarHBondContact NE2-CD2 3.17Å
904	V	77.8	Confident	76.3	Confident	26 Å²	26	65.1 Å²	65.1	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-55.1	-28.6	175.3	171.3	0	0	0	0	112	L900 T906 H907 T908 V960	L900-V904 HydrophobicContact CD1-CG2 3.76Å; L900-V904 HydrophobicContact CG-CG2 4.23Å; L900-V904 WeakPolarHBondContact O-CG2 3.28Å; L900-V904 PolarHBondContact O-N 3.44Å; V904-T906 VanDerWaalsContact C-N 3.33Å; V904-T906 PolarHBondContact O-N 3.23Å; V904-H907 WeakPolarHBondContact O-CB 3.29Å; V904-H907 PolarHBondContact O-N 3.32Å; V904-H907 VanDerWaalsContact O-N 3.11Å; V904-T908 HydrophobicContact CG1-CG2 4.14Å; V904-T908 PolarHBondContact O-N 2.92Å; V904-T908 PolarHBondContact O-OG1 3.33Å; V904-V960 HydrophobicContact CG1-CG1 4.37Å
905	R	82	Confident	76.8	Confident	49 Å²	49	62.7 Å²	62.7	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-72.7	-15.7	173.9	-62.6	-163.1	-173.9	95.1	12.2	115.6	K901 R902 H903 H907 G909 E910 I923	K901-R905 PolarHBondContact O-NH1 3.01Å; R902-R905 WeakPolarHBondContact O-CB 3.15Å; R902-R905 PolarHBondContact O-N 3.27Å; H903-R905 PolarHBondContact O-N 2.93Å; R905-H907 VanDerWaalsContact C-N 3.27Å; R905-G909 PolarHBondContact O-N 3.49Å; R905-G909 VanDerWaalsContact O-N 3.15Å; R905-E910 HydrophobicContact CB-CB 4.09Å; R905-E910 WeakPolarHBondContact CD-O 3.17Å; R905-E910 WeakPolarHBondContact CD-OE2 3.45Å; R905-E910 HydrophobicContact CG-CB 3.79Å; R905-E910 IonicContact NE-OE2 2.74Å; R905-E910 PolarHBondContact NE-OE2 2.9Å; R905-I923 HydrophobicContact CB-CG2 3.63Å
906	T	75.9	Confident	77	Confident	82 Å²	82	67.2 Å²	67.2	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-74	-23.9	167.7	63.1	0	0	0	0	111.2	H903 V904 I923	H903-T906 PolarHBondContact O-N 3.18Å; H903-T906 PolarHBondContact O-OG1 3.33Å; V904-T906 VanDerWaalsContact C-N 3.33Å; V904-T906 PolarHBondContact O-N 3.23Å; T906-I923 HydrophobicContact CG2-CD1 3.87Å
907	H	74.6	Confident	77.3	Confident	105 Å²	105	68.4 Å²	68.4	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-86.1	-44	172.1	-65.3	-64.2	0	0	0	112.7	T889 C890 H903 V904 R905 G909	T889-H907 HydrophobicContact CG2-CB 4.05Å; C890-H907 WeakPolarHBondContact CB-NE2 3.48Å; H903-H907 AromaticContact CE1-CD2 3.74Å; H903-H907 AromaticContact NE2-CD2 3.37Å; H903-H907 PolarHBondContact NE2-CD2 3.17Å; V904-H907 WeakPolarHBondContact O-CB 3.29Å; V904-H907 PolarHBondContact O-N 3.32Å; V904-H907 VanDerWaalsContact O-N 3.11Å; R905-H907 VanDerWaalsContact C-N 3.27Å; H907-G909 VanDerWaalsContact C-N 3.28Å; H907-G909 PolarHBondContact O-N 2.91Å
908	T	73.4	Confident	77.8	Confident	76 Å²	76	69.3 Å²	69.3	47%	0.466	36%	0.357	S	S	.	.	S	Bend	trans	-81.9	-1.3	-179.2	66.2	0	0	0	0	114.5	V904 E910	V904-T908 HydrophobicContact CG1-CG2 4.14Å; V904-T908 PolarHBondContact O-N 2.92Å; V904-T908 PolarHBondContact O-OG1 3.33Å; T908-E910 PolarHBondContact O-N 3.44Å
909	G	73.6	Confident	77.8	Confident	45 Å²	45	65.6 Å²	65.6	46%	0.464	36%	0.358	S	S	.	.			trans	68	-5.4	-177.4	0	0	0	0	0	115.7	R905 H907 R911	R905-G909 PolarHBondContact O-N 3.49Å; R905-G909 VanDerWaalsContact O-N 3.15Å; H907-G909 VanDerWaalsContact C-N 3.28Å; H907-G909 PolarHBondContact O-N 2.91Å; G909-R911 WeakPolarHBondContact O-CG 3.36Å; G909-R911 PolarHBondContact O-N 2.88Å; G909-R911 VanDerWaalsContact O-N 3.15Å
910	E	75	Confident	77.9	Confident	41 Å²	41	68.5 Å²	68.5	19%	0.192	37%	0.368	C	S	.	.			trans	-53	118.3	-178.3	-81.5	-173.8	-165.5	0	0	111.8	R905 T908 P912 T958	R905-E910 HydrophobicContact CB-CB 4.09Å; R905-E910 WeakPolarHBondContact CD-O 3.17Å; R905-E910 WeakPolarHBondContact CD-OE2 3.45Å; R905-E910 HydrophobicContact CG-CB 3.79Å; R905-E910 IonicContact NE-OE2 2.74Å; R905-E910 PolarHBondContact NE-OE2 2.9Å; T908-E910 PolarHBondContact O-N 3.44Å; E910-P912 WeakPolarHBondContact O-CD 3.48Å; E910-T958 WeakPolarHBondContact OE1-CB 3.35Å
911	R	79.1	Confident	78	Confident	149 Å²	149	69.9 Å²	69.9	56%	0.562	38%	0.381	S	S	*	.			trans	-122.2	71.6	176.5	-72.8	163.2	-178.5	-159.1	6	111.6	G909 Y913 A921 Y922 I923	G909-R911 WeakPolarHBondContact O-CG 3.36Å; G909-R911 PolarHBondContact O-N 2.88Å; G909-R911 VanDerWaalsContact O-N 3.15Å; R911-Y913 PolarHBondContact O-N 3.08Å; R911-Y913 VanDerWaalsContact O-N 3.09Å; R911-A921 HydrophobicContact CB-CB 3.62Å; R911-A921 WeakPolarHBondContact CD-O 3.4Å; R911-Y922 CarbonylContact C-O 3.56Å; R911-Y922 VanDerWaalsContact CA-O 3.27Å; R911-Y922 WeakPolarHBondContact CA-O 3.36Å; R911-I923 HydrophobicContact CG-CG1 3.7Å
912	P	77.5	Confident	78.1	Confident	69 Å²	69	68.5 Å²	68.5	45%	0.448	37%	0.374	S	S	.	.			trans	-72.2	-3.6	-170.2	-17.1	32.9	0	0	0	115.3	E910	E910-P912 WeakPolarHBondContact O-CD 3.48Å
913	Y	79.1	Confident	78.1	Confident	87 Å²	87	65.8 Å²	65.8	34%	0.341	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	78.1	-173.5	-60.6	-80.5	0	0	0	110.5	R911 Y922 D924 A925	R911-Y913 PolarHBondContact O-N 3.08Å; R911-Y913 VanDerWaalsContact O-N 3.09Å; Y913-Y922 WeakPolarHBondContact CB-O 3.25Å; Y913-Y922 PolarHBondContact N-O 3.25Å; Y913-Y922 WeakPolarHBondContact O-CB 3.39Å; Y913-Y922 PolarHBondContact O-N 2.94Å; Y913-D924 VanDerWaalsContact CD2-CA 3.47Å; Y913-A925 HydrophobicContact CD1-CB 3.9Å; Y913-A925 HydrophobicContact CE1-CB 3.72Å; Y913-A925 HydrophobicContact CG-CB 4.5Å
914	V	79.9	Confident	78	Confident	85 Å²	85	65.3 Å²	65.3	52%	0.515	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.3	177.2	179.9	0	0	0	0	110.9	E920 A921	V914-E920 CarbonylContact C-O 3.54Å; V914-A921 HydrophobicContact CG2-CB 4.21Å
915	C	83.1	Confident	78	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.014	37%	0.371	C	S	.	.			trans	-72.6	125.3	172.2	180	0	0	0	0	110.9	V917 C918 S919 E920 L928 H931 M932	C915-V917 PolarHBondContact O-N 3.42Å; C915-V917 PolarHBondContact SG-N 3.26Å; C915-V917 VanDerWaalsContact SG-N 3.43Å; C915-C918 VanDerWaalsContact CB-SG 3.55Å; C915-C918 PolarHBondContact SG-SG 3.29Å; C915-S919 VanDerWaalsContact O-CA 3.23Å; C915-S919 WeakPolarHBondContact O-CA 3.01Å; C915-S919 PolarHBondContact O-N 2.92Å; C915-E920 HydrophobicContact CB-CB 4.42Å; C915-E920 WeakPolarHBondContact CB-O 3.5Å; C915-E920 PolarHBondContact N-O 3.33Å; C915-L928 HydrophobicContact CB-CD1 3.78Å; C915-H931 PolarHBondContact SG-NE2 3.09Å; C915-M932 WeakPolarHBondContact SG-CE 3.47Å
916	P	75.7	Confident	77.8	Confident	108 Å²	108	71.1 Å²	71.1	70%	0.701	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	0	180	32.2	-36.3	0	0	0	114.3	M932	P916-M932 HydrophobicContact CG-SD 4.35Å
917	V	76.3	Confident	78	Confident	63 Å²	63	70 Å²	70	38%	0.382	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-44	-177.8	-172.3	0	0	0	0	112.1	C915 M932 H936 Y939	C915-V917 PolarHBondContact O-N 3.42Å; C915-V917 PolarHBondContact SG-N 3.26Å; C915-V917 VanDerWaalsContact SG-N 3.43Å; V917-M932 HydrophobicContact CB-CE 4.44Å; V917-M932 HydrophobicContact CG2-CE 3.96Å; V917-H936 WeakPolarHBondContact CG1-ND1 3.49Å; V917-Y939 HydrophobicContact CG2-CD1 4.05Å; V917-Y939 HydrophobicContact CG2-CG 4.34Å
918	C	81.8	Confident	78.3	Confident	45 Å²	45	66.2 Å²	66.2	30%	0.304	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	6.8	179.6	70.2	0	0	0	0	115.1	C915 E920 H931	C915-C918 VanDerWaalsContact CB-SG 3.55Å; C915-C918 PolarHBondContact SG-SG 3.29Å; C918-E920 PolarHBondContact O-N 3.23Å; C918-E920 VanDerWaalsContact SG-CG 3.56Å; C918-H931 PolarHBondContact SG-CE1 3.38Å; C918-H931 PolarHBondContact SG-NE2 3.05Å
919	S	74.2	Confident	78.6	Confident	95 Å²	95	67.3 Å²	67.3	66%	0.664	36%	0.363	S	S	*	.			trans	56.9	2.1	-175.7	73.7	0	0	0	0	117.9	C915 A921	C915-S919 VanDerWaalsContact O-CA 3.23Å; C915-S919 WeakPolarHBondContact O-CA 3.01Å; C915-S919 PolarHBondContact O-N 2.92Å; S919-A921 PolarHBondContact O-N 3.27Å
920	E	80	Confident	78.9	Confident	92 Å²	92	72.1 Å²	72.1	43%	0.43	37%	0.372	S	S	.	.			trans	-57.2	131.5	174.3	-74.1	-176.2	152.5	0	0	112.7	V914 C915 C918 Y922 H931	V914-E920 CarbonylContact C-O 3.54Å; C915-E920 HydrophobicContact CB-CB 4.42Å; C915-E920 WeakPolarHBondContact CB-O 3.5Å; C915-E920 PolarHBondContact N-O 3.33Å; C918-E920 PolarHBondContact O-N 3.23Å; C918-E920 VanDerWaalsContact SG-CG 3.56Å; E920-Y922 HydrophobicContact CB-CD2 4.41Å; E920-Y922 HydrophobicContact CB-CE2 3.6Å; E920-Y922 WeakPolarHBondContact O-CD2 3.39Å; E920-Y922 PolarHBondContact OE2-OH 3.38Å; E920-H931 IonicContact OE2-CE1 3.91Å; E920-H931 PolarHBondContact OE2-CE1 2.85Å; E920-H931 IonicContact OE2-CG 3.11Å; E920-H931 IonicContact OE2-ND1 3.01Å; E920-H931 PolarHBondContact OE2-ND1 3.01Å; E920-H931 IonicContact OE2-NE2 3.01Å
921	A	82.9	Confident	79.2	Confident	40 Å²	40	70.7 Å²	70.7	33%	0.331	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128	-176.4	0	0	0	0	0	112.7	R911 V914 S919	R911-A921 HydrophobicContact CB-CB 3.62Å; R911-A921 WeakPolarHBondContact CD-O 3.4Å; V914-A921 HydrophobicContact CG2-CB 4.21Å; S919-A921 PolarHBondContact O-N 3.27Å
922	Y	79.4	Confident	79.2	Confident	48 Å²	48	64.6 Å²	64.6	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.1	-175.4	-71.5	-86.1	0	0	0	114.4	R911 Y913 E920 L928 H931	R911-Y922 CarbonylContact C-O 3.56Å; R911-Y922 VanDerWaalsContact CA-O 3.27Å; R911-Y922 WeakPolarHBondContact CA-O 3.36Å; Y913-Y922 WeakPolarHBondContact CB-O 3.25Å; Y913-Y922 PolarHBondContact N-O 3.25Å; Y913-Y922 WeakPolarHBondContact O-CB 3.39Å; Y913-Y922 PolarHBondContact O-N 2.94Å; E920-Y922 HydrophobicContact CB-CD2 4.41Å; E920-Y922 HydrophobicContact CB-CE2 3.6Å; E920-Y922 WeakPolarHBondContact O-CD2 3.39Å; E920-Y922 PolarHBondContact OE2-OH 3.38Å; Y922-L928 HydrophobicContact CD2-CB 4.08Å; Y922-L928 HydrophobicContact CD2-CD1 3.85Å; Y922-L928 HydrophobicContact CE2-CD1 4.3Å; Y922-L928 HydrophobicContact CG-CB 4.08Å; Y922-H931 HydrophobicContact CE1-CB 4.11Å; Y922-H931 HydrophobicContact CE2-CB 3.94Å; Y922-H931 AromaticContact CE2-CD2 3.94Å; Y922-H931 AromaticContact CE2-CG 3.7Å; Y922-H931 AromaticContact CZ-CG 3.61Å; Y922-H931 AromaticContact CZ-ND1 3.88Å; Y922-H931 WeakPolarHBondContact OH-CB 3.49Å; Y922-H931 VanDerWaalsContact OH-CG 3.24Å; Y922-H931 PolarHBondContact OH-ND1 3.4Å; Y922-H931 VanDerWaalsContact OH-ND1 3.08Å
923	I	78.4	Confident	79.3	Confident	41 Å²	41	64.9 Å²	64.9	21%	0.21	34%	0.344	C	S	.	.	S	Bend	trans	-79	-29.4	-176.3	-59.4	-179.4	0	0	0	112.5	R902 R905 T906 R911	R902-I923 HydrophobicContact CG-CG2 4.39Å; R905-I923 HydrophobicContact CB-CG2 3.63Å; T906-I923 HydrophobicContact CG2-CD1 3.87Å; R911-I923 HydrophobicContact CG-CG1 3.7Å
924	D	79.4	Confident	79.3	Confident	23 Å²	23	68 Å²	68	12%	0.123	36%	0.359	C	S	.	.	S	Bend	trans	-141.5	158.8	173.1	86.9	-0.9	0	0	0	114.5	R902 Y913 R926 T927 L928	R902-D924 WeakPolarHBondContact CD-OD2 3.31Å; R902-D924 HydrophobicContact CG-CB 4.21Å; R902-D924 IonicContact CZ-OD2 2.71Å; R902-D924 IonicContact NE-OD2 3.1Å; R902-D924 IonicContact NH1-OD2 3.17Å; R902-D924 PolarHBondContact NH1-OD2 3.45Å; Y913-D924 VanDerWaalsContact CD2-CA 3.47Å; D924-R926 PolarHBondContact O-N 3.47Å; D924-R926 WeakPolarHBondContact OD1-CA 3.45Å; D924-R926 VanDerWaalsContact OD1-CB 3.3Å; D924-R926 WeakPolarHBondContact OD1-CB 3.27Å; D924-R926 PolarHBondContact OD1-N 2.86Å; D924-T927 PolarHBondContact N-OG1 2.81Å; D924-T927 PolarHBondContact O-N 2.89Å; D924-T927 PolarHBondContact O-OG1 3.49Å; D924-T927 PolarHBondContact OD1-N 3Å; D924-T927 PolarHBondContact OD1-OG1 3.18Å; D924-T927 VanDerWaalsContact OD1-OG1 3.06Å; D924-L928 PolarHBondContact O-N 2.88Å
925	A	77.2	Confident	79.2	Confident	34 Å²	34	69.9 Å²	69.9	28%	0.281	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	8.8	175.9	0	0	0	0	0	114.4	Y913 R929	Y913-A925 HydrophobicContact CD1-CB 3.9Å; Y913-A925 HydrophobicContact CE1-CB 3.72Å; Y913-A925 HydrophobicContact CG-CB 4.5Å; A925-R929 PolarHBondContact O-NE 2.79Å; A925-R929 PolarHBondContact O-NH2 2.73Å
926	R	78.3	Confident	78.9	Confident	164 Å²	164	71.6 Å²	71.6	62%	0.619	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-41.2	171.6	-174.5	-171.4	-67.2	-157.2	-2.5	110.1	D924 R929 K930	D924-R926 PolarHBondContact O-N 3.47Å; D924-R926 WeakPolarHBondContact OD1-CA 3.45Å; D924-R926 VanDerWaalsContact OD1-CB 3.3Å; D924-R926 WeakPolarHBondContact OD1-CB 3.27Å; D924-R926 PolarHBondContact OD1-N 2.86Å; R926-R929 PolarHBondContact O-N 3Å; R926-K930 PolarHBondContact O-N 2.87Å
927	T	79.9	Confident	78.4	Confident	57 Å²	57	75.1 Å²	75.1	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-47.3	173.4	47.3	0	0	0	0	111.1	D924 R929 K930 H931	D924-T927 PolarHBondContact N-OG1 2.81Å; D924-T927 PolarHBondContact O-N 2.89Å; D924-T927 PolarHBondContact O-OG1 3.49Å; D924-T927 PolarHBondContact OD1-N 3Å; D924-T927 PolarHBondContact OD1-OG1 3.18Å; D924-T927 VanDerWaalsContact OD1-OG1 3.06Å; T927-R929 VanDerWaalsContact C-N 3.33Å; T927-R929 PolarHBondContact O-N 2.84Å; T927-K930 WeakPolarHBondContact O-CB 3.45Å; T927-K930 PolarHBondContact O-N 2.94Å; T927-K930 VanDerWaalsContact O-N 3.16Å; T927-H931 PolarHBondContact O-N 3.38Å
928	L	80.8	Confident	77.8	Confident	27 Å²	27	79.9 Å²	79.9	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-55.4	-46	171.4	174.7	59.1	0	0	0	112	C915 Y922 D924 K930 H931 M932	C915-L928 HydrophobicContact CB-CD1 3.78Å; Y922-L928 HydrophobicContact CD2-CB 4.08Å; Y922-L928 HydrophobicContact CD2-CD1 3.85Å; Y922-L928 HydrophobicContact CE2-CD1 4.3Å; Y922-L928 HydrophobicContact CG-CB 4.08Å; D924-L928 PolarHBondContact O-N 2.88Å; L928-K930 PolarHBondContact O-N 3.08Å; L928-H931 WeakPolarHBondContact O-CB 3.32Å; L928-H931 PolarHBondContact O-N 2.99Å; L928-M932 HydrophobicContact CD1-CG 3.91Å; L928-M932 HydrophobicContact CD1-SD 4.27Å; L928-M932 HydrophobicContact CG-CG 4.18Å; L928-M932 WeakPolarHBondContact O-CG 3.38Å; L928-M932 PolarHBondContact O-N 2.84Å
929	R	78.7	Confident	76.8	Confident	98 Å²	98	86 Å²	86	37%	0.37	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-41.9	177.8	-91.7	-176	-67.3	-164.3	-7.5	112.8	A925 R926 T927 H931 M932 T933	A925-R929 PolarHBondContact O-NE 2.79Å; A925-R929 PolarHBondContact O-NH2 2.73Å; R926-R929 PolarHBondContact O-N 3Å; T927-R929 VanDerWaalsContact C-N 3.33Å; T927-R929 PolarHBondContact O-N 2.84Å; R929-H931 VanDerWaalsContact C-N 3.33Å; R929-H931 PolarHBondContact O-N 3.44Å; R929-M932 PolarHBondContact O-N 3.03Å; R929-T933 WeakPolarHBondContact O-CG2 3.4Å; R929-T933 PolarHBondContact O-N 3.36Å; R929-T933 PolarHBondContact O-OG1 3.25Å
930	K	80.4	Confident	75.9	Confident	147 Å²	147	83.1 Å²	83.1	64%	0.639	39%	0.387	S	S	*	.	H	α-helix	trans	-57.6	-47.5	174.3	-84.6	-168.3	168.6	-162.8	0	111.2	R926 T927 L928 T933 K934	R926-K930 PolarHBondContact O-N 2.87Å; T927-K930 WeakPolarHBondContact O-CB 3.45Å; T927-K930 PolarHBondContact O-N 2.94Å; T927-K930 VanDerWaalsContact O-N 3.16Å; L928-K930 PolarHBondContact O-N 3.08Å; K930-T933 WeakPolarHBondContact CA-OG1 3.4Å; K930-T933 PolarHBondContact O-N 3.19Å; K930-T933 PolarHBondContact O-OG1 3.13Å; K930-K934 WeakPolarHBondContact O-CB 3.38Å; K930-K934 PolarHBondContact O-N 2.92Å; K930-K934 VanDerWaalsContact O-N 3.09Å
931	H	81.9	Confident	74.4	Confident	10 Å²	10	82.2 Å²	82.2	5%	0.046	39%	0.389	C	S	.	.	H	α-helix	trans	-57.7	-52	175.4	158	87	0	0	0	111.3	C915 C918 E920 Y922 T927 L928 R929 T933 K934 F935 H936	C915-H931 PolarHBondContact SG-NE2 3.09Å; C918-H931 PolarHBondContact SG-CE1 3.38Å; C918-H931 PolarHBondContact SG-NE2 3.05Å; E920-H931 IonicContact OE2-CE1 3.91Å; E920-H931 PolarHBondContact OE2-CE1 2.85Å; E920-H931 IonicContact OE2-CG 3.11Å; E920-H931 IonicContact OE2-ND1 3.01Å; E920-H931 PolarHBondContact OE2-ND1 3.01Å; E920-H931 IonicContact OE2-NE2 3.01Å; Y922-H931 HydrophobicContact CE1-CB 4.11Å; Y922-H931 HydrophobicContact CE2-CB 3.94Å; Y922-H931 AromaticContact CE2-CD2 3.94Å; Y922-H931 AromaticContact CE2-CG 3.7Å; Y922-H931 AromaticContact CZ-CG 3.61Å; Y922-H931 AromaticContact CZ-ND1 3.88Å; Y922-H931 WeakPolarHBondContact OH-CB 3.49Å; Y922-H931 VanDerWaalsContact OH-CG 3.24Å; Y922-H931 PolarHBondContact OH-ND1 3.4Å; Y922-H931 VanDerWaalsContact OH-ND1 3.08Å; T927-H931 PolarHBondContact O-N 3.38Å; L928-H931 WeakPolarHBondContact O-CB 3.32Å; L928-H931 PolarHBondContact O-N 2.99Å; R929-H931 VanDerWaalsContact C-N 3.33Å; R929-H931 PolarHBondContact O-N 3.44Å; H931-T933 VanDerWaalsContact C-N 3.3Å; H931-T933 PolarHBondContact O-N 3.23Å; H931-K934 PolarHBondContact O-N 3.42Å; H931-F935 AromaticContact ND1-CD2 3.46Å; H931-F935 WeakPolarHBondContact ND1-CD2 3.5Å; H931-F935 PolarHBondContact O-N 3.1Å; H931-H936 AromaticContact CE1-CD2 3.78Å; H931-H936 AromaticContact CE1-NE2 3.63Å; H931-H936 AromaticContact NE2-CD2 3.23Å; H931-H936 PolarHBondContact NE2-CD2 2.91Å; H931-H936 AromaticContact NE2-NE2 3.41Å; H931-H936 PolarHBondContact NE2-NE2 3.38Å
932	M	78.3	Confident	72.4	Confident	21 Å²	21	85.2 Å²	85.2	10%	0.103	41%	0.406	C	S	.	.	H	α-helix	trans	-55.4	-44.2	178.3	-58.5	-108.6	65.9	0	0	111.6	C915 P916 V917 L928 R929 K934 H936 R937 V940	C915-M932 WeakPolarHBondContact SG-CE 3.47Å; P916-M932 HydrophobicContact CG-SD 4.35Å; V917-M932 HydrophobicContact CB-CE 4.44Å; V917-M932 HydrophobicContact CG2-CE 3.96Å; L928-M932 HydrophobicContact CD1-CG 3.91Å; L928-M932 HydrophobicContact CD1-SD 4.27Å; L928-M932 HydrophobicContact CG-CG 4.18Å; L928-M932 WeakPolarHBondContact O-CG 3.38Å; L928-M932 PolarHBondContact O-N 2.84Å; R929-M932 PolarHBondContact O-N 3.03Å; M932-K934 VanDerWaalsContact C-N 3.28Å; M932-K934 PolarHBondContact O-N 3.04Å; M932-H936 HydrophobicContact CE-CB 3.83Å; M932-H936 CarbonylContact O-C 3.47Å; M932-H936 WeakPolarHBondContact O-CA 3.37Å; M932-H936 PolarHBondContact O-N 2.87Å; M932-R937 PolarHBondContact O-N 2.93Å; M932-V940 HydrophobicContact CB-CG2 4.45Å
933	T	79.5	Confident	70.6	Confident	76 Å²	76	90.8 Å²	90.8	47%	0.466	43%	0.432	S	S	.	.	H	α-helix	trans	-74.1	-9.9	178.1	54.4	0	0	0	0	115.4	R929 K930 H931 R937	R929-T933 WeakPolarHBondContact O-CG2 3.4Å; R929-T933 PolarHBondContact O-N 3.36Å; R929-T933 PolarHBondContact O-OG1 3.25Å; K930-T933 WeakPolarHBondContact CA-OG1 3.4Å; K930-T933 PolarHBondContact O-N 3.19Å; K930-T933 PolarHBondContact O-OG1 3.13Å; H931-T933 VanDerWaalsContact C-N 3.3Å; H931-T933 PolarHBondContact O-N 3.23Å; T933-R937 VanDerWaalsContact O-CG 3.27Å; T933-R937 WeakPolarHBondContact O-CG 3.33Å; T933-R937 PolarHBondContact O-NE 3.35Å; T933-R937 VanDerWaalsContact O-NE 3.17Å
934	K	80.1	Confident	69	Low	152 Å²	152	91.9 Å²	91.9	66%	0.661	44%	0.437	S	S	*	.	H	α-helix	trans	-102.3	-42.5	178	-176.1	175.3	175.4	-175.2	0	112.4	K930 H931 M932	K930-K934 WeakPolarHBondContact O-CB 3.38Å; K930-K934 PolarHBondContact O-N 2.92Å; K930-K934 VanDerWaalsContact O-N 3.09Å; H931-K934 PolarHBondContact O-N 3.42Å; M932-K934 VanDerWaalsContact C-N 3.28Å; M932-K934 PolarHBondContact O-N 3.04Å
935	F	76.2	Confident	67.3	Low	124 Å²	124	97.8 Å²	97.8	54%	0.544	47%	0.466	S	S	.	.	H	α-helix	trans	-111.5	-15.9	-170.1	-61.5	-75.4	0	0	0	114.6	H931	H931-F935 AromaticContact ND1-CD2 3.46Å; H931-F935 WeakPolarHBondContact ND1-CD2 3.5Å; H931-F935 PolarHBondContact O-N 3.1Å
936	H	77.7	Confident	65.4	Low	38 Å²	38	103.5 Å²	103.5	18%	0.176	49%	0.491	C	S	.	.			trans	-136.8	39.9	-174.6	-59.1	-54.4	0	0	0	112.1	V917 H931 M932 D938 Y939 V940	V917-H936 WeakPolarHBondContact CG1-ND1 3.49Å; H931-H936 AromaticContact CE1-CD2 3.78Å; H931-H936 AromaticContact CE1-NE2 3.63Å; H931-H936 AromaticContact NE2-CD2 3.23Å; H931-H936 PolarHBondContact NE2-CD2 2.91Å; H931-H936 AromaticContact NE2-NE2 3.41Å; H931-H936 PolarHBondContact NE2-NE2 3.38Å; M932-H936 HydrophobicContact CE-CB 3.83Å; M932-H936 CarbonylContact O-C 3.47Å; M932-H936 WeakPolarHBondContact O-CA 3.37Å; M932-H936 PolarHBondContact O-N 2.87Å; H936-D938 VanDerWaalsContact C-N 3.26Å; H936-D938 PolarHBondContact O-N 3.45Å; H936-Y939 PolarHBondContact O-N 3.19Å; H936-V940 WeakPolarHBondContact O-CG2 3.3Å; H936-V940 PolarHBondContact O-N 3.26Å
937	R	65.9	Low	63.4	Low	183 Å²	183	100.9 Å²	100.9	69%	0.691	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-50.1	-46.3	-175.3	-78.5	-175.7	168	-173.1	-3	112.7	M932 T933 Y939 V940	M932-R937 PolarHBondContact O-N 2.93Å; T933-R937 VanDerWaalsContact O-CG 3.27Å; T933-R937 WeakPolarHBondContact O-CG 3.33Å; T933-R937 PolarHBondContact O-NE 3.35Å; T933-R937 VanDerWaalsContact O-NE 3.17Å; R937-Y939 PolarHBondContact O-N 2.83Å; R937-V940 WeakPolarHBondContact O-CB 3.48Å; R937-V940 WeakPolarHBondContact O-CG2 3.44Å; R937-V940 PolarHBondContact O-N 3.05Å
938	D	62.8	Low	61.5	Low	162 Å²	162	107.1 Å²	107.1	87%	0.866	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-76.8	-16.7	-173.1	-39.3	-69.9	0	0	0	112.2	H936	H936-D938 VanDerWaalsContact C-N 3.26Å; H936-D938 PolarHBondContact O-N 3.45Å
939	Y	60.2	Low	59.4	Low	173 Å²	173	111 Å²	111	68%	0.678	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-95.5	1	174.2	-112.3	-93.8	0	0	0	113.6	V917 H936 R937 P941	V917-Y939 HydrophobicContact CG2-CD1 4.05Å; V917-Y939 HydrophobicContact CG2-CG 4.34Å; H936-Y939 PolarHBondContact O-N 3.19Å; R937-Y939 PolarHBondContact O-N 2.83Å; Y939-P941 WeakPolarHBondContact O-CD 3.47Å
940	V	56.3	Low	57.3	Low	35 Å²	35	110.2 Å²	110.2	21%	0.212	54%	0.535	C	S	.	.			trans	-73.6	109.5	177.4	-179.9	0	0	0	0	110	M932 H936 R937 C942 M945	M932-V940 HydrophobicContact CB-CG2 4.45Å; H936-V940 WeakPolarHBondContact O-CG2 3.3Å; H936-V940 PolarHBondContact O-N 3.26Å; R937-V940 WeakPolarHBondContact O-CB 3.48Å; R937-V940 WeakPolarHBondContact O-CG2 3.44Å; R937-V940 PolarHBondContact O-N 3.05Å; V940-C942 PolarHBondContact O-N 2.86Å; V940-M945 HydrophobicContact CG1-CG 4.25Å; V940-M945 HydrophobicContact CG1-SD 4.4Å
941	P	47.3	Very low	55.2	Low	73 Å²	73	109.7 Å²	109.7	47%	0.474	54%	0.539	S	S	.	.			trans	-72.6	125.9	174.9	-8.8	27.9	0	0	0	107.9	Y939 K943 I944	Y939-P941 WeakPolarHBondContact O-CD 3.47Å; P941-K943 PolarHBondContact O-N 2.75Å; P941-I944 HydrophobicContact CG-CD1 4.03Å; P941-I944 HydrophobicContact CG-CG1 4.3Å; P941-I944 PolarHBondContact O-N 2.97Å
942	C	42.1	Very low	53	Low	103 Å²	103	117.6 Å²	117.6	70%	0.696	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-51.6	-22.4	-175.1	-51.5	0	0	0	0	114.1	V940 I944 M945	V940-C942 PolarHBondContact O-N 2.86Å; C942-I944 PolarHBondContact O-N 3.26Å; C942-M945 PolarHBondContact O-N 2.9Å
943	K	42.1	Very low	50.6	Low	166 Å²	166	124.4 Å²	124.4	72%	0.722	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-65.5	-30	175.6	-151.8	172	-173.9	178.8	0	114.2	P941 M945 L946	P941-K943 PolarHBondContact O-N 2.75Å; K943-M945 VanDerWaalsContact C-N 3.26Å; K943-M945 PolarHBondContact O-N 3.42Å; K943-L946 PolarHBondContact O-N 3.05Å
944	I	45.1	Very low	48.3	Very low	64 Å²	64	128.4 Å²	128.4	33%	0.328	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-70.1	-24.1	178	-60	-169.6	0	0	0	111.5	P941 C942	P941-I944 HydrophobicContact CG-CD1 4.03Å; P941-I944 HydrophobicContact CG-CG1 4.3Å; P941-I944 PolarHBondContact O-N 2.97Å; C942-I944 PolarHBondContact O-N 3.26Å
945	M	41.9	Very low	46.1	Very low	146 Å²	146	127.7 Å²	127.7	72%	0.719	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-75.8	-22.8	-179.8	-63.8	178.3	68.3	0	0	113.7	V940 C942 K943	V940-M945 HydrophobicContact CG1-CG 4.25Å; V940-M945 HydrophobicContact CG1-SD 4.4Å; C942-M945 PolarHBondContact O-N 2.9Å; K943-M945 VanDerWaalsContact C-N 3.26Å; K943-M945 PolarHBondContact O-N 3.42Å
946	L	38.3	Very low	43.8	Very low	154 Å²	154	129.9 Å²	129.9	81%	0.806	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-12.2	-168.5	-79	164.8	0	0	0	115.5	K943	K943-L946 PolarHBondContact O-N 3.05Å
947	E	35.6	Very low	42.1	Very low	110 Å²	110	131.6 Å²	131.6	51%	0.514	66%	0.662	S	S	.	*			trans	-107.9	103.4	-177.9	-80.5	-167.1	-154	0	0	113.1	D949 T950	E947-D949 PolarHBondContact O-N 3.24Å; E947-T950 WeakPolarHBondContact CB-OG1 3.48Å; E947-T950 WeakPolarHBondContact OE2-CB 3.32Å; E947-T950 PolarHBondContact OE2-OG1 2.81Å
948	K	40.4	Very low	40.7	Very low	187 Å²	187	126.8 Å²	126.8	81%	0.813	65%	0.652	S	S	*	*	S	Bend	trans	-75.9	114.9	166.8	-82.3	179.4	176.5	170.6	0	110.2
949	D	36.5	Very low	39.4	Very low	109 Å²	109	128.6 Å²	128.6	58%	0.583	66%	0.656	S	S	*	*	S	Bend	trans	69.3	35.2	167.9	-64.2	17.1	0	0	0	116.8	R898 E947	R898-D949 IonicContact CZ-OD2 2.99Å; R898-D949 IonicContact NH1-OD2 2.82Å; R898-D949 PolarHBondContact NH1-OD2 3.03Å; R898-D949 IonicContact NH2-OD2 2.76Å; R898-D949 PolarHBondContact NH2-OD2 3.41Å; R898-D949 VanDerWaalsContact NH2-OD2 3.13Å; E947-D949 PolarHBondContact O-N 3.24Å
950	T	35.4	Very low	38.2	Very low	82 Å²	82	122.4 Å²	122.4	50%	0.503	64%	0.636	S	S	.	*			trans	-127.4	14.4	177.7	38.4	0	0	0	0	118.1	E947 Q952	E947-T950 WeakPolarHBondContact CB-OG1 3.48Å; E947-T950 WeakPolarHBondContact OE2-CB 3.32Å; E947-T950 PolarHBondContact OE2-OG1 2.81Å; T950-Q952 PolarHBondContact O-N 3.03Å
951	L	35.1	Very low	37.1	Very low	135 Å²	135	124.9 Å²	124.9	71%	0.707	66%	0.66	S	S	*	*			trans	-72	95.5	164.7	-84.1	172	0	0	0	110.8	F953	L951-F953 HydrophobicContact CB-CD2 4.46Å; L951-F953 HydrophobicContact CB-CE2 4.47Å; L951-F953 HydrophobicContact CD2-CE2 4.3Å; L951-F953 PolarHBondContact O-N 3.16Å
952	Q	35.4	Very low	36.3	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.822	68%	0.679	S	S	*	*			trans	-88.4	70.7	-174.3	-168.7	-177.8	-14.9	0	0	112.3	T950	T950-Q952 PolarHBondContact O-N 3.03Å
953	F	28.3	Very low	36	Very low	165 Å²	165	128.3 Å²	128.3	72%	0.724	67%	0.67	S	S	*	*			trans	-72.1	150.2	164.1	-73.7	-82	0	0	0	110.9	L951 N955	L951-F953 HydrophobicContact CB-CD2 4.46Å; L951-F953 HydrophobicContact CB-CE2 4.47Å; L951-F953 HydrophobicContact CD2-CE2 4.3Å; L951-F953 PolarHBondContact O-N 3.16Å; F953-N955 PolarHBondContact O-N 3.39Å
954	H	30.7	Very low	35.8	Very low	160 Å²	160	123 Å²	123	74%	0.741	65%	0.651	S	S	*	*			trans	-79.1	105.1	-179.2	-103	71.6	0	0	0	110.6	Q956	H954-Q956 VanDerWaalsContact C-N 3.29Å; H954-Q956 PolarHBondContact O-N 2.86Å
955	N	34.4	Very low	35.2	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	67%	0.669	S	S	*	*			trans	-70.1	86.9	163.5	-79.2	31.4	0	0	0	109.7	F953	F953-N955 PolarHBondContact O-N 3.39Å
956	Q	28.7	Very low	35	Very low	169 Å²	169	124.1 Å²	124.1	79%	0.79	67%	0.667	S	S	*	*			trans	-88.2	117.7	158.6	-72.8	178.7	-23.4	0	0	107.9	H954	H954-Q956 VanDerWaalsContact C-N 3.29Å; H954-Q956 PolarHBondContact O-N 2.86Å
957	G	41.9	Very low	34.7	Very low	75 Å²	75	122.4 Å²	122.4	77%	0.773	66%	0.658	S	S	*	*			trans	59.2	90.2	168.1	0	0	0	0	0	118.5
958	T	36.6	Very low	34.5	Very low	81 Å²	81	122.3 Å²	122.3	50%	0.497	67%	0.665	S	S	.	*			trans	-132.9	132.8	150.3	58.9	0	0	0	0	111.8	E910 V960	E910-T958 WeakPolarHBondContact OE1-CB 3.35Å; T958-V960 PolarHBondContact O-N 2.72Å
959	Q	35.1	Very low	34.2	Very low	201 Å²	201	117 Å²	117	94%	0.939	66%	0.657	S	S	*	*			trans	-86.5	58.9	-166.4	-61.7	-172.6	7.6	0	0	113.6
960	V	35	Very low	34	Very low	42 Å²	42	118.4 Å²	118.4	26%	0.255	66%	0.664	S	S	.	*			trans	-122.6	59.8	178.3	-163	0	0	0	0	111.9	K901 V904 T958	K901-V960 PolarHBondContact NZ-O 3.1Å; V904-V960 HydrophobicContact CG1-CG1 4.37Å; T958-V960 PolarHBondContact O-N 2.72Å
961	A	32.8	Very low	33.9	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	68%	0.679	S	S	*	*			trans	-101.2	-31.7	-178.5	0	0	0	0	0	114.7
962	H	31.5	Very low	33.6	Very low	186 Å²	186	123.3 Å²	123.3	86%	0.861	68%	0.68	S	S	*	*	S	Bend	trans	-73.7	-41.6	-167	-133.7	-116.8	0	0	0	114.3	V964	H962-V964 VanDerWaalsContact C-N 3.28Å; H962-V964 PolarHBondContact O-N 3.43Å
963	A	34.7	Very low	33.2	Very low	62 Å²	62	124.4 Å²	124.4	51%	0.512	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	25	-164.8	0	0	0	0	0	117.2
964	V	37.7	Very low	33.2	Very low	54 Å²	54	126 Å²	126	33%	0.327	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.4	-1.4	-174.4	-160.8	0	0	0	0	114.2	H962	H962-V964 VanDerWaalsContact C-N 3.28Å; H962-V964 PolarHBondContact O-N 3.43Å
965	S	33.3	Very low	33	Very low	100 Å²	100	127.8 Å²	127.8	70%	0.699	70%	0.703	S	S	*	*	S	Bend	trans	-97.2	-3.5	-164.7	-158.6	0	0	0	0	116.8
966	I	37.1	Very low	32.5	Very low	134 Å²	134	127.1 Å²	127.1	69%	0.687	71%	0.709	S	S	*	*	S	Bend	trans	-101.1	-60.1	-169.8	-60.1	179	0	0	0	112.3	T968 A969	I966-T968 PolarHBondContact O-N 3.38Å; I966-A969 PolarHBondContact O-N 2.84Å
967	L	31.8	Very low	32.4	Very low	117 Å²	117	124.9 Å²	124.9	61%	0.613	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	20.4	-170.6	-57.9	178.2	0	0	0	117.1
968	T	32.3	Very low	31.4	Very low	109 Å²	109	124.4 Å²	124.4	67%	0.669	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	11.6	176.9	59.3	0	0	0	0	114.1	I966	I966-T968 PolarHBondContact O-N 3.38Å
969	A	34.1	Very low	31.6	Very low	76 Å²	76	126.2 Å²	126.2	63%	0.628	72%	0.72	S	S	*	*	S	Bend	trans	-87.6	-46.6	176.3	0	0	0	0	0	113.1	I966	I966-A969 PolarHBondContact O-N 2.84Å
970	D	33.1	Very low	31.2	Very low	137 Å²	137	123.2 Å²	123.2	73%	0.733	71%	0.706	S	S	*	*	S	Bend	trans	-110.4	7.6	-150.2	-50.4	-45.6	0	0	0	116.2
971	M	32.6	Very low	30.7	Very low	167 Å²	167	128.3 Å²	128.3	82%	0.823	73%	0.727	S	S	*	*			trans	-121.7	74.2	-175.2	-72.9	-110.3	83.4	0	0	113.5
972	Q	28	Very low	30.3	Very low	154 Å²	154	130.4 Å²	130.4	72%	0.72	73%	0.725	S	S	*	*			trans	175.6	106.3	139	-99.9	155.2	14.5	0	0	113
973	E	27	Very low	29.9	Very low	199 Å²	199	128.9 Å²	128.9	93%	0.93	72%	0.719	S	S	*	*				-179.2	94.8	113.7	-98.7	173.1	-154.7	0	0	111.1
974	Q	28.1	Very low	29.4	Very low	197 Å²	197	131.5 Å²	131.5	92%	0.921	73%	0.728	S	S	*	*			trans	-156.1	113.4	162.5	-159.8	177.4	21.2	0	0	110.1
975	E	27	Very low	28.6	Very low	199 Å²	199	134.8 Å²	134.8	93%	0.93	75%	0.748	S	S	*	*			trans	-167	109.1	162.9	-141.7	174	-124.6	0	0	112.1
976	S	24	Very low	28.2	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	75%	0.75	S	S	*	*			trans	-170.8	131.3	143.8	60.1	0	0	0	0	108.6
977	S	26.4	Very low	27.6	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	75%	0.754	S	S	*	*			trans	-78.6	168	-166.2	52.2	0	0	0	0	115.9
978	G	20.7	Very low	27.4	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	76%	0.76	S	S	*	*			trans	-76	-140	166.9	0	0	0	0	0	113.1
979	P	40.7	Very low	27.2	Very low	119 Å²	119	133.8 Å²	133.8	77%	0.773	76%	0.763	S	S	*	*			cis	-105.2	-156.8	16.2	31.9	-12.5	0	0	0	111.5
980	Q	27.1	Very low	27	Very low	139 Å²	139	138.4 Å²	138.4	65%	0.65	77%	0.771	S	S	*	*			cis	-168.4	144.3	20.8	-164.9	159.9	-15.7	0	0	111.8
981	E	24.1	Very low	26.7	Very low	149 Å²	149	138 Å²	138	70%	0.696	77%	0.774	S	S	*	*			trans	60	155.2	154.4	-74.4	161.7	-146.2	0	0	119.7
982	L	24.6	Very low	26.7	Very low	131 Å²	131	137.9 Å²	137.9	69%	0.686	77%	0.773	S	S	*	*			cis	-154.5	169.6	3.7	-118.4	158.9	0	0	0	111.3
983	E	24.1	Very low	26.8	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	78%	0.776	S	S	*	*			trans	70.6	102.9	147.2	-91.1	167.6	160.5	0	0	126.4
984	T	23	Very low	26.7	Very low	117 Å²	117	134.1 Å²	134.1	72%	0.718	77%	0.774	S	S	*	*				71.3	137.3	115.1	54.7	0	0	0	0	127.1
985	V	21.9	Very low	26.7	Very low	123 Å²	123	132 Å²	132	75%	0.745	77%	0.769	S	S	*	*			trans	77.4	102.6	135	163.7	0	0	0	0	118.7
986	V	23.8	Very low	26.7	Very low	121 Å²	121	131 Å²	131	73%	0.733	76%	0.764	S	S	*	*				96.5	138.9	67.6	153.5	0	0	0	0	113.7
987	V	25.1	Very low	26.9	Very low	128 Å²	128	129.6 Å²	129.6	78%	0.776	76%	0.76	S	S	*	*			trans	71.9	140.6	162.3	154	0	0	0	0	117.3
988	T	27.1	Very low	27	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	76%	0.758	S	S	*	*			cis	-163	155.8	-10.2	26.3	0	0	0	0	112
989	G	29.5	Very low	27.3	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	76%	0.763	S	S	*	*			trans	72.3	173.8	133.4	0	0	0	0	0	120.2
990	E	28.9	Very low	26.8	Very low	173 Å²	173	130.1 Å²	130.1	81%	0.808	76%	0.761	S	S	*	*			cis	-168.2	156.2	-24.5	-136.2	166.5	-136.3	0	0	110.9
991	T	28	Very low	26.9	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	76%	0.762	S	S	*	*			trans	59.9	173.9	165	64.3	0	0	0	0	119.5
992	M	31.1	Very low	27.4	Very low	164 Å²	164	128.9 Å²	128.9	81%	0.808	76%	0.763	S	S	*	*				-152.1	-172.6	-64.7	-140.4	-177.8	87	0	0	109.6
993	E	30	Very low	27.4	Very low	168 Å²	168	131.2 Å²	131.2	79%	0.785	77%	0.77	S	S	*	*			trans	-79.8	159.9	-165.8	-60.1	157.6	122.2	0	0	116
994	A	24.7	Very low	27.6	Very low	107 Å²	107	134.3 Å²	134.3	88%	0.884	78%	0.776	S	S	*	*			trans	-149.8	144.9	158	0	0	0	0	0	111
995	L	28.5	Very low	28.3	Very low	153 Å²	153	134.3 Å²	134.3	80%	0.801	78%	0.778	S	S	*	*			trans	-93.4	154	-155.4	-69.8	155.9	0	0	0	117.2
996	E	27.2	Very low	28.6	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	77%	0.774	S	S	*	*			trans	24.5	144.5	136.4	-53.5	-178.1	129.4	0	0	123.8
997	A	28.6	Very low	28.7	Very low	93 Å²	93	133.7 Å²	133.7	77%	0.769	78%	0.779	S	S	*	*			trans	-169.7	116.8	130.9	0	0	0	0	0	116
998	V	28.7	Very low	29	Very low	137 Å²	137	133 Å²	133	83%	0.83	78%	0.78	S	S	*	*			trans	61.4	114.9	133.8	-173.7	0	0	0	0	123
999	A	26.5	Very low	29.3	Very low	93 Å²	93	134.1 Å²	134.1	77%	0.769	79%	0.786	S	S	*	*			trans	31.3	152.3	132.8	0	0	0	0	0	122.6
1000	A	29.9	Very low	29.5	Very low	87 Å²	87	138.5 Å²	138.5	72%	0.719	79%	0.793	S	S	*	*			cis	-162.3	168.5	25.5	0	0	0	0	0	110.5
1001	T	30.4	Very low	30.3	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	78%	0.778	S	S	*	*			cis	-155.8	-133.9	-19.1	26	0	0	0	0	107.1
1002	E	33.8	Very low	31	Very low	152 Å²	152	133.3 Å²	133.3	71%	0.71	77%	0.771	S	S	*	*			cis	-164.1	163.7	-0.6	-156.1	58.8	-84	0	0	112.2
1003	E	25	Very low	31.7	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	77%	0.767	S	S	*	*			trans	57.4	138.4	166.4	-85.4	-178.6	-167.4	0	0	123
1004	Y	27.8	Very low	32.3	Very low	218 Å²	218	127.7 Å²	127.7	86%	0.855	75%	0.75	S	S	*	*			trans	-156.9	148	179.1	-111	-84.7	0	0	0	109.3
1005	P	37.8	Very low	33.7	Very low	117 Å²	117	127.2 Å²	127.2	76%	0.76	73%	0.731	S	S	*	*				-147	156.6	103.7	32	-14	0	0	0	113.6
1006	S	28.4	Very low	34.6	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	72%	0.719	S	S	*	*			cis	111.8	97.6	10.3	78.9	0	0	0	0	115.7
1007	V	26.6	Very low	35.6	Very low	139 Å²	139	123.4 Å²	123.4	84%	0.842	71%	0.711	S	S	*	*			trans	-147.3	93.4	153.5	-178.7	0	0	0	0	107
1008	S	29.9	Very low	36.6	Very low	114 Å²	114	123.5 Å²	123.5	80%	0.797	70%	0.701	S	S	*	*				74.8	94.8	91.6	-58	0	0	0	0	115.2
1009	T	33.8	Very low	37.9	Very low	142 Å²	142	120.2 Å²	120.2	87%	0.871	68%	0.681	S	S	*	*			trans	-117.5	150.4	159.5	51.1	0	0	0	0	109.9
1010	L	33.5	Very low	38.9	Very low	163 Å²	163	120.3 Å²	120.3	85%	0.853	67%	0.669	S	S	*	*			trans	-56.2	147	-171	-64.6	166.3	0	0	0	114
1011	S	46.6	Very low	40	Very low	72 Å²	72	122.5 Å²	122.5	50%	0.503	66%	0.66	S	S	.	*			trans	-84.8	148.5	-173.7	57.3	0	0	0	0	114.1	Q1013 S1014	S1011-Q1013 PolarHBondContact O-N 2.84Å; S1011-Q1013 VanDerWaalsContact O-N 3.07Å; S1011-S1014 PolarHBondContact O-N 3.32Å
1012	D	41.3	Very low	41.3	Very low	120 Å²	120	120.4 Å²	120.4	64%	0.642	65%	0.646	S	S	*	*	H	α-helix	trans	-62.1	-20.2	-172.3	-66.9	-61.1	0	0	0	114.9	S1014 I1015 M1016	D1012-S1014 PolarHBondContact O-N 3.36Å; D1012-I1015 PolarHBondContact O-N 2.81Å; D1012-M1016 PolarHBondContact O-N 2.81Å
1013	Q	46.6	Very low	42.1	Very low	154 Å²	154	117.1 Å²	117.1	72%	0.72	63%	0.634	S	S	*	*	H	α-helix	trans	-64.6	-38.9	177.6	-72.9	-177	-18.4	0	0	112.3	S1011 I1015 M1016 Q1017	S1011-Q1013 PolarHBondContact O-N 2.84Å; S1011-Q1013 VanDerWaalsContact O-N 3.07Å; Q1013-I1015 VanDerWaalsContact C-N 3.32Å; Q1013-I1015 PolarHBondContact O-N 2.58Å; Q1013-M1016 PolarHBondContact O-N 2.92Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; Q1013-Q1017 PolarHBondContact O-N 3.23Å
1014	S	42.8	Very low	43.2	Very low	61 Å²	61	111.5 Å²	111.5	43%	0.427	62%	0.618	S	S	.	*	H	α-helix	trans	-65.8	-36.7	176	-55.4	0	0	0	0	111.6	S1011 D1012 Q1017 V1018	S1011-S1014 PolarHBondContact O-N 3.32Å; D1012-S1014 PolarHBondContact O-N 3.36Å; S1014-Q1017 PolarHBondContact O-N 3.3Å; S1014-V1018 WeakPolarHBondContact O-CG2 3.41Å; S1014-V1018 PolarHBondContact O-N 2.91Å
1015	I	54.7	Low	44.1	Very low	96 Å²	96	107.1 Å²	107.1	49%	0.492	61%	0.605	S	S	.	*	H	α-helix	trans	-65.1	-43.9	174.8	-57.6	177.4	0	0	0	109.9	D1012 Q1013 Q1017 V1018 V1019	D1012-I1015 PolarHBondContact O-N 2.81Å; Q1013-I1015 VanDerWaalsContact C-N 3.32Å; Q1013-I1015 PolarHBondContact O-N 2.58Å; I1015-Q1017 VanDerWaalsContact C-N 3.35Å; I1015-Q1017 PolarHBondContact O-N 3.13Å; I1015-V1018 PolarHBondContact O-N 3.04Å; I1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; I1015-V1019 PolarHBondContact O-N 3.39Å
1016	M	47.3	Very low	44.8	Very low	110 Å²	110	108.7 Å²	108.7	54%	0.542	60%	0.602	S	S	.	*	H	α-helix	trans	-63.5	-37.8	179.4	-149.3	67.1	64.3	0	0	112.8	D1012 Q1013 V1019 N1020	D1012-M1016 PolarHBondContact O-N 2.81Å; Q1013-M1016 PolarHBondContact O-N 2.92Å; M1016-V1019 PolarHBondContact O-N 2.92Å; M1016-N1020 WeakPolarHBondContact O-CB 3.46Å; M1016-N1020 PolarHBondContact O-N 3.26Å; M1016-N1020 PolarHBondContact O-ND2 3.29Å
1017	Q	46.7	Very low	45.5	Very low	140 Å²	140	111.5 Å²	111.5	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-65.5	-43.1	175.3	-74.3	174.6	-22.9	0	0	112.1	Q1013 S1014 I1015 N1020 Y1021	Q1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; Q1013-Q1017 PolarHBondContact O-N 3.23Å; S1014-Q1017 PolarHBondContact O-N 3.3Å; I1015-Q1017 VanDerWaalsContact C-N 3.35Å; I1015-Q1017 PolarHBondContact O-N 3.13Å; Q1017-N1020 PolarHBondContact O-N 3.28Å; Q1017-Y1021 PolarHBondContact O-N 3.24Å
1018	V	51.4	Low	46.4	Very low	95 Å²	95	108.3 Å²	108.3	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-64.5	-40.2	175.1	173.8	0	0	0	0	111.5	S1014 I1015 Y1021 V1022	S1014-V1018 WeakPolarHBondContact O-CG2 3.41Å; S1014-V1018 PolarHBondContact O-N 2.91Å; I1015-V1018 PolarHBondContact O-N 3.04Å; V1018-Y1021 PolarHBondContact O-N 3.02Å; V1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; V1018-V1022 PolarHBondContact O-N 3.28Å
1019	V	55.3	Low	46.9	Very low	68 Å²	68	111.1 Å²	111.1	41%	0.412	60%	0.601	S	S	.	*	H	α-helix	trans	-61.2	-45	174.5	168.7	0	0	0	0	111.2	I1015 M1016 Y1021 V1022 L1023	I1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; I1015-V1019 PolarHBondContact O-N 3.39Å; M1016-V1019 PolarHBondContact O-N 2.92Å; V1019-Y1021 PolarHBondContact O-N 3.18Å; V1019-V1022 PolarHBondContact O-N 3.26Å; V1019-L1023 HydrophobicContact CG1-CD1 3.89Å; V1019-L1023 HydrophobicContact CG1-CG 4.45Å; V1019-L1023 VanDerWaalsContact O-CG 3.32Å; V1019-L1023 WeakPolarHBondContact O-CG 3.43Å; V1019-L1023 PolarHBondContact O-N 3.03Å
1020	N	46.9	Very low	47.2	Very low	95 Å²	95	113.6 Å²	113.6	51%	0.508	60%	0.6	S	S	.	*	H	α-helix	trans	-66.1	-37.1	178.2	-73.1	-17.5	0	0	0	112.7	M1016 Q1017 L1023 A1024	M1016-N1020 WeakPolarHBondContact O-CB 3.46Å; M1016-N1020 PolarHBondContact O-N 3.26Å; M1016-N1020 PolarHBondContact O-ND2 3.29Å; Q1017-N1020 PolarHBondContact O-N 3.28Å; N1020-L1023 PolarHBondContact O-N 3.36Å; N1020-A1024 WeakPolarHBondContact O-CB 3.48Å; N1020-A1024 PolarHBondContact O-N 3.02Å
1021	Y	52.3	Low	47.6	Very low	134 Å²	134	113.4 Å²	113.4	53%	0.525	60%	0.599	S	S	.	*	H	α-helix	trans	-61.2	-44.3	172.9	179.9	-95.2	0	0	0	112.1	Q1017 V1018 V1019 A1024 Q1025	Q1017-Y1021 PolarHBondContact O-N 3.24Å; V1018-Y1021 PolarHBondContact O-N 3.02Å; V1019-Y1021 PolarHBondContact O-N 3.18Å; Y1021-A1024 PolarHBondContact O-N 3.13Å; Y1021-Q1025 HydrophobicContact CE1-CG 4.45Å; Y1021-Q1025 VanDerWaalsContact CE1-NE2 3.27Å; Y1021-Q1025 PolarHBondContact O-N 3.46Å; Y1021-Q1025 VanDerWaalsContact O-N 3.14Å; Y1021-Q1025 PolarHBondContact OH-NE2 3.26Å
1022	V	58.3	Low	47.1	Very low	65 Å²	65	114.5 Å²	114.5	39%	0.394	61%	0.606	S	S	.	*	H	α-helix	trans	-67.6	-33.8	176.5	172.3	0	0	0	0	112.1	V1018 V1019 Q1026	V1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; V1018-V1022 PolarHBondContact O-N 3.28Å; V1019-V1022 PolarHBondContact O-N 3.26Å; V1022-Q1026 PolarHBondContact O-N 3.36Å
1023	L	51.4	Low	47.1	Very low	84 Å²	84	117.1 Å²	117.1	44%	0.44	62%	0.615	S	S	.	*	H	α-helix	trans	-69.7	-38.7	174.3	-71.9	170	0	0	0	112.2	V1019 N1020 Q1026	V1019-L1023 HydrophobicContact CG1-CD1 3.89Å; V1019-L1023 HydrophobicContact CG1-CG 4.45Å; V1019-L1023 VanDerWaalsContact O-CG 3.32Å; V1019-L1023 WeakPolarHBondContact O-CG 3.43Å; V1019-L1023 PolarHBondContact O-N 3.03Å; N1020-L1023 PolarHBondContact O-N 3.36Å; L1023-Q1026 PolarHBondContact O-N 3.11Å; L1023-Q1026 VanDerWaalsContact O-N 3.15Å
1024	A	47.8	Very low	46.8	Very low	62 Å²	62	114.5 Å²	114.5	51%	0.512	61%	0.609	S	S	.	*	H	α-helix	trans	-62	-42.7	175	0	0	0	0	0	112	N1020 Y1021 Q1026 Q1027	N1020-A1024 WeakPolarHBondContact O-CB 3.48Å; N1020-A1024 PolarHBondContact O-N 3.02Å; Y1021-A1024 PolarHBondContact O-N 3.13Å; A1024-Q1026 PolarHBondContact O-N 3.46Å; A1024-Q1026 VanDerWaalsContact O-N 3.16Å; A1024-Q1027 PolarHBondContact O-N 3.3Å; A1024-Q1027 VanDerWaalsContact O-N 3.09Å
1025	Q	46.7	Very low	46.5	Very low	125 Å²	125	115.5 Å²	115.5	58%	0.584	62%	0.621	S	S	*	*	H	α-helix	trans	-59.2	-25.7	174.6	-74.5	-169.4	-10.4	0	0	113.5	Y1021	Y1021-Q1025 HydrophobicContact CE1-CG 4.45Å; Y1021-Q1025 VanDerWaalsContact CE1-NE2 3.27Å; Y1021-Q1025 PolarHBondContact O-N 3.46Å; Y1021-Q1025 VanDerWaalsContact O-N 3.14Å; Y1021-Q1025 PolarHBondContact OH-NE2 3.26Å
1026	Q	52	Low	45.7	Very low	150 Å²	150	119.5 Å²	119.5	70%	0.701	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-6.8	178.7	-68.2	-178.3	28.6	0	0	114.3	V1022 L1023 A1024	V1022-Q1026 PolarHBondContact O-N 3.36Å; L1023-Q1026 PolarHBondContact O-N 3.11Å; L1023-Q1026 VanDerWaalsContact O-N 3.15Å; A1024-Q1026 PolarHBondContact O-N 3.46Å; A1024-Q1026 VanDerWaalsContact O-N 3.16Å
1027	Q	43.5	Very low	45.3	Very low	152 Å²	152	118.4 Å²	118.4	71%	0.71	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-0.7	-177.8	-64.2	-168.7	8.8	0	0	114.9	A1024 Q1029	A1024-Q1027 PolarHBondContact O-N 3.3Å; A1024-Q1027 VanDerWaalsContact O-N 3.09Å; Q1027-Q1029 PolarHBondContact O-N 3.12Å
1028	G	46.2	Very low	44.8	Very low	73 Å²	73	119 Å²	119	75%	0.753	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.7	27.6	161.9	0	0	0	0	0	116.5
1029	Q	39.7	Very low	43.9	Very low	173 Å²	173	122.5 Å²	122.5	81%	0.808	66%	0.662	S	S	*	*			trans	-81.5	160.4	170.9	-69.4	179.9	-29.3	0	0	111.6	Q1027	Q1027-Q1029 PolarHBondContact O-N 3.12Å
1030	K	40.8	Very low	42.8	Very low	193 Å²	193	126 Å²	126	84%	0.839	68%	0.684	S	S	*	*			trans	-75	135.7	-168	-69.7	-178.8	178.3	178.1	0	112.5	S1032	K1030-S1032 PolarHBondContact O-N 3.41Å
1031	L	40.6	Very low	41.9	Very low	159 Å²	159	128 Å²	128	83%	0.832	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	14.3	-176.6	-82.2	161.8	0	0	0	116.4
1032	S	36.8	Very low	40.8	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-22.8	-167.2	-158.2	0	0	0	0	115.4	K1030	K1030-S1032 PolarHBondContact O-N 3.41Å
1033	E	40.6	Very low	39.4	Very low	176 Å²	176	132.7 Å²	132.7	82%	0.822	73%	0.727	S	S	*	*	S	Bend	trans	-108.6	-0.5	-165.4	-66.8	169	169.1	0	0	113.5
1034	V	40.8	Very low	38.4	Very low	98 Å²	98	136.7 Å²	136.7	59%	0.594	74%	0.743	S	S	*	*	S	Bend	trans	-99	-11.5	180	-175.3	0	0	0	0	112	E1036	V1034-E1036 PolarHBondContact O-N 3.4Å
1035	A	37.2	Very low	37.7	Very low	82 Å²	82	139.8 Å²	139.8	68%	0.678	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-20.8	-172.8	0	0	0	0	0	114.6
1036	E	37.7	Very low	36.7	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-9	-174.5	-60.8	-172.5	138.8	0	0	113.7	V1034	V1034-E1036 PolarHBondContact O-N 3.4Å
1037	A	37.7	Very low	35.7	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	77%	0.771	S	S	*	*	S	Bend	trans	-89.7	4.8	-171.7	0	0	0	0	0	115.5
1038	I	37.6	Very low	35.1	Very low	152 Å²	152	140.8 Å²	140.8	78%	0.779	78%	0.78	S	S	*	*			trans	-134.4	79.8	-178.7	-48.9	-178.8	0	0	0	110.8
1039	Q	32.5	Very low	34.5	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.794	77%	0.774	S	S	*	*			trans	-134.4	142	163.2	-78.7	-164.5	2.9	0	0	110.9
1040	T	31.1	Very low	34.3	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	78%	0.779	S	S	*	*			trans	64.2	142.2	-172.1	74.4	0	0	0	0	112.7
1041	V	29.4	Very low	34.2	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	78%	0.777	S	S	*	*			cis	-118.5	153.4	30	173.1	0	0	0	0	112.9
1042	K	28.6	Very low	33.8	Very low	178 Å²	178	142.8 Å²	142.8	77%	0.774	80%	0.799	S	S	*	*			trans	-113.5	-176.6	173.7	-96.2	-168.7	173.2	-170.4	0	110.1
1043	V	29.1	Very low	33.6	Very low	119 Å²	119	145.2 Å²	145.2	72%	0.721	81%	0.806	S	S	*	*			trans	87.9	128.4	157.9	-175.5	0	0	0	0	114.4
1044	E	29	Very low	33.3	Very low	168 Å²	168	143.6 Å²	143.6	79%	0.785	81%	0.805	S	S	*	*			cis	-160.8	-167.1	-23.4	-128.7	147.4	-132.2	0	0	111.1
1045	V	34.8	Very low	32.8	Very low	127 Å²	127	146.1 Å²	146.1	77%	0.77	82%	0.817	S	S	*	*			trans	-96.9	147.8	-169	177.8	0	0	0	0	113.2
1046	A	25.8	Very low	32.6	Very low	97 Å²	97	149.9 Å²	149.9	80%	0.802	83%	0.825	S	S	*	*			trans	-140.4	135.3	155.8	0	0	0	0	0	111.3
1047	H	30.8	Very low	32.3	Very low	177 Å²	177	147.9 Å²	147.9	82%	0.819	82%	0.823	S	S	*	*			trans	-91.7	159.6	165.8	-77.6	-68.7	0	0	0	110.4
1048	I	29.6	Very low	31.9	Very low	174 Å²	174	152.1 Å²	152.1	89%	0.892	83%	0.831	S	S	*	*				-173.2	172.5	128.6	-96.5	156.3	0	0	0	109.5
1049	S	34.6	Very low	31.5	Very low	90 Å²	90	152.1 Å²	152.1	63%	0.629	84%	0.835	S	S	*	*			trans	-121.2	153.2	-149.9	51.4	0	0	0	0	116.1
1050	E	35.2	Very low	31.4	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	84%	0.838	S	S	*	*			trans	59.9	151.6	144.8	-67.7	179.9	168	0	0	122.1
1051	G	37.9	Very low	31.4	Very low	76 Å²	76	151.6 Å²	151.6	78%	0.784	84%	0.836	S	S	*	*			trans	94.1	129	176.8	0	0	0	0	0	114.1
1052	E	32.4	Very low	31.6	Very low	278 Å²	278	152.8 Å²	152.8	100%	1.299	84%	0.836	S	S	*	*			cis	-131.8	0	-5.3	-67.7	-175.8	119.1	0	0	110.4

Retrieved 1,052 of 1,052 residues in 172.7 ms (Link to these results)

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