A0A3Q0KQZ2_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,209 aa.

						>A0A3Q0KQZ2_SCHMA|A0A3Q0KQZ2
MTKYDDGGFLKGSFATLFQDDLKTSEEKKSKMSYLLRQTPIDELSMEWLILENHPIEARAYLIDNILPQVVLGLESILKEATRRNLITLDVLDETSYRAGLDRNFNPVNRLAEYLMRNNHKHNHFNESSPYVRGLRYTLAKLQNEMFMQSGNQLAKVKSSADARRTEEKQNELKVKRECDAQIAIISTICNSLIPPKKNSTNVNMIEDVVLTFMELTSKLPEEMKQWLVQTFKTQLAKDYQAFYDKEQFVKCLMIYARLMSTDVFEQFTEHLRLCMVEFRKAEKREERRELLKSCFRSCDLDQLNELSRAQVFQLCEDYFDTCQQIIKDMIHDPRDWSTREYHLKLTVTEPVTTMNTNECQFLSKVDDDSNTEDKQHSLLNYNGNNSDNDSQHDDSISLQLGTRQLDEITVFPIQSDIEDQLIKTCQLADTVGITQNQFISIMEFIIPETAPLKIFNDCLTYLKRYKVSAEEREERRLQHFRKSSRMEKHQLLNKIFHTLDQECSGMLNLKKIEDFILNYEDGFYEAHLKQAKSDLASNIQSTARSFSTSSDQVTSSFTFNSSFISSSETFSGQSYLQRSVNQLQNLHYYYHPEKSVEINITDFKILLDDIFWPKNNQYLSGHDEYDFSCLEKFLNYLKEKLVQTIPEKIRTQIRREWIEKILAVSLNTFDNSMELVYKTIFQTLIKDTIKHGEQKQISINIALLYPTETTNDILSLDANTQSCLKYVAAIPESEAEILLDQCPQRDESNLLFKCLRTGLTLVHSEISTLKRFSRTENESRNMSVSTETNTEQNYQSPSFALAIPIPNAKKYFIGVMKVNKLENNSKLPMFEEHEIQFYRGVVYHLGFAFSLINSRYLLSSMIHYAFDWIYKRLGNIDEITFYHRCNDDDNDDGGDVNHSTTIDSTEEKSYRPNKEVNYKLCKLVSKYGIHQTTVHTDLQVIDKKKNYLYYYLFDVLESGYLLVKCVLGRKHYTFPFTDSNNKVIGIIDVCCLNFLNKHQLDYLHKSLVLFQEAYEQLVHYIGVDTDGQYNNADEYKTISKNQEETEINSQIEESKSDWMDGNNKFMPKIIVKKLAKMELSLLTSKIDKDLFRNIKRYEIRLCNSEIYLLWAVILLLNRSQGDESLNQENISKLLDSVMTGIHESIVDYDPFVGEQQIINSQQSRLNEIYEKISSEQLKQYSCESMINLYEWMTLCMIIWKENFLMHHG
					

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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	30.6	Very low	39.6	Very low	240 Å²	240	129.1 Å²	129.1	100%	1.182	67%	0.673	S	S	*	*				0	95.3	0	-86.3	161.7	140.2	0	0	107.4	K3	M1-K3 PolarHBondContact O-N 2.66Å
2	T	32.6	Very low	40.4	Very low	115 Å²	115	121.9 Å²	121.9	71%	0.706	65%	0.654	S	S	*	*			trans	-56.4	121.4	167.6	35.8	0	0	0	0	107.2	Y4	T2-Y4 VanDerWaalsContact C-N 3.27Å; T2-Y4 PolarHBondContact O-N 3Å
3	K	34.4	Very low	40.8	Very low	208 Å²	208	113.4 Å²	113.4	90%	0.904	61%	0.61	S	S	*	*			trans	-53.4	95.4	171	-78.5	177.8	171.6	-179.5	0	107.1	M1 D5	M1-K3 PolarHBondContact O-N 2.66Å; K3-D5 PolarHBondContact O-N 3.27Å
4	Y	38.8	Very low	41.1	Very low	170 Å²	170	111.6 Å²	111.6	67%	0.667	59%	0.594	S	S	*	*			trans	-66.1	129.6	159.9	-85.1	-86.9	0	0	0	104.9	T2 D6	T2-Y4 VanDerWaalsContact C-N 3.27Å; T2-Y4 PolarHBondContact O-N 3Å; Y4-D6 PolarHBondContact O-N 2.89Å
5	D	39.7	Very low	41.7	Very low	149 Å²	149	107.7 Å²	107.7	80%	0.797	58%	0.583	S	S	*	*			trans	-61.8	80	166.8	-90.3	-36.4	0	0	0	107.6	K3 G7 G8 F9	K3-D5 PolarHBondContact O-N 3.27Å; D5-G7 PolarHBondContact O-N 3.03Å; D5-G7 VanDerWaalsContact O-N 3.12Å; D5-G8 PolarHBondContact O-N 2.89Å; D5-F9 PolarHBondContact O-N 3.43Å
6	D	42.6	Very low	42.4	Very low	96 Å²	96	103.4 Å²	103.4	51%	0.513	56%	0.562	S	S	.	*	H	α-helix	trans	-59.1	-27.8	-171.6	-81.6	-29.3	0	0	0	111.8	Y4 G8 F9 L10	Y4-D6 PolarHBondContact O-N 2.89Å; D6-G8 VanDerWaalsContact C-N 3.28Å; D6-G8 PolarHBondContact O-N 2.88Å; D6-F9 PolarHBondContact O-N 2.76Å; D6-L10 PolarHBondContact O-N 2.91Å; D6-L10 VanDerWaalsContact O-N 3.11Å
7	G	40.1	Very low	42.7	Very low	60 Å²	60	99.6 Å²	99.6	62%	0.619	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-33	176.2	0	0	0	0	0	113.5	D5	D5-G7 PolarHBondContact O-N 3.03Å; D5-G7 VanDerWaalsContact O-N 3.12Å
8	G	42.6	Very low	43.2	Very low	52 Å²	52	103.1 Å²	103.1	54%	0.536	55%	0.551	S	S	.	*	H	α-helix	trans	-80.7	-39.1	175.8	0	0	0	0	0	112.1	D5 D6 G12	D5-G8 PolarHBondContact O-N 2.89Å; D6-G8 VanDerWaalsContact C-N 3.28Å; D6-G8 PolarHBondContact O-N 2.88Å; G8-G12 PolarHBondContact O-N 3.4Å
9	F	45	Very low	43.5	Very low	102 Å²	102	103.5 Å²	103.5	45%	0.447	55%	0.549	S	S	.	.	H	α-helix	trans	-61.4	-56	-178.3	-171.6	-101.8	0	0	0	110.4	D5 D6 K11 G12 S13 M32 L35	D5-F9 PolarHBondContact O-N 3.43Å; D6-F9 PolarHBondContact O-N 2.76Å; F9-K11 PolarHBondContact O-N 2.93Å; F9-G12 PolarHBondContact O-N 3.23Å; F9-S13 WeakPolarHBondContact O-CB 3.31Å; F9-S13 PolarHBondContact O-N 3.21Å; F9-S13 PolarHBondContact O-OG 2.98Å; F9-M32 HydrophobicContact CE1-CE 4.11Å; F9-M32 HydrophobicContact CE2-CE 4.41Å; F9-M32 HydrophobicContact CZ-CE 3.76Å; F9-L35 HydrophobicContact CZ-CD1 4.37Å
10	L	44.7	Very low	43.7	Very low	51 Å²	51	104.1 Å²	104.1	27%	0.267	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-41.1	-176.3	-69.6	176.3	0	0	0	112.9	D6 S13 F14 L44	D6-L10 PolarHBondContact O-N 2.91Å; D6-L10 VanDerWaalsContact O-N 3.11Å; L10-S13 WeakPolarHBondContact O-CB 3.45Å; L10-S13 PolarHBondContact O-N 2.94Å; L10-F14 WeakPolarHBondContact O-CD2 3.28Å; L10-F14 PolarHBondContact O-N 3.15Å; L10-L44 HydrophobicContact CD1-CD2 4.04Å; L10-L44 HydrophobicContact CD2-CD2 4.44Å
11	K	45	Very low	43.9	Very low	177 Å²	177	105.3 Å²	105.3	77%	0.77	56%	0.559	S	S	*	*	H	α-helix	trans	-63.8	-46.9	179.2	-120.3	178.2	-177.9	176.6	0	112.4	F9 S13 A15	F9-K11 PolarHBondContact O-N 2.93Å; K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 2.79Å; K11-A15 PolarHBondContact O-N 3.22Å
12	G	48.3	Very low	44.5	Very low	43 Å²	43	100.6 Å²	100.6	44%	0.443	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-31.7	174.8	0	0	0	0	0	112.6	G8 F9 A15 T16	G8-G12 PolarHBondContact O-N 3.4Å; F9-G12 PolarHBondContact O-N 3.23Å; G12-A15 PolarHBondContact O-N 3.15Å; G12-T16 PolarHBondContact O-N 3.4Å; G12-T16 PolarHBondContact O-OG1 3.38Å
13	S	46.7	Very low	45.4	Very low	11 Å²	11	103.9 Å²	103.9	8%	0.077	54%	0.542	C	S	.	.	H	α-helix	trans	-69.1	-42	-179.1	-65.7	0	0	0	0	113.5	F9 L10 K11 T16 L17 M32	F9-S13 WeakPolarHBondContact O-CB 3.31Å; F9-S13 PolarHBondContact O-N 3.21Å; F9-S13 PolarHBondContact O-OG 2.98Å; L10-S13 WeakPolarHBondContact O-CB 3.45Å; L10-S13 PolarHBondContact O-N 2.94Å; K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 2.79Å; S13-T16 WeakPolarHBondContact CA-OG1 3.34Å; S13-T16 PolarHBondContact O-N 2.83Å; S13-T16 PolarHBondContact O-OG1 3.13Å; S13-T16 VanDerWaalsContact O-OG1 3.11Å; S13-L17 PolarHBondContact O-N 2.87Å; S13-M32 WeakPolarHBondContact OG-CE 3.45Å
14	F	44.9	Very low	46.2	Very low	88 Å²	88	99.6 Å²	99.6	39%	0.386	53%	0.534	S	S	.	.	H	α-helix	trans	-66.9	-40.2	174.7	-80.8	-72	0	0	0	111.3	L10 T16 L17 F18 L36	L10-F14 WeakPolarHBondContact O-CD2 3.28Å; L10-F14 PolarHBondContact O-N 3.15Å; F14-T16 PolarHBondContact O-N 2.76Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 PolarHBondContact O-N 3.12Å; F14-L17 VanDerWaalsContact O-N 3.08Å; F14-F18 HydrophobicContact CD1-CE2 4.23Å; F14-F18 WeakPolarHBondContact O-CD2 3.18Å; F14-F18 PolarHBondContact O-N 3.5Å; F14-L36 HydrophobicContact CE1-CD2 4.34Å; F14-L36 HydrophobicContact CZ-CD2 4.18Å
15	A	50.4	Low	46.8	Very low	53 Å²	53	92.2 Å²	92.2	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-59.2	-36.1	177	0	0	0	0	0	112.3	K11 G12 L17 F18 Q19	K11-A15 PolarHBondContact O-N 3.22Å; G12-A15 PolarHBondContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 3.01Å; A15-F18 PolarHBondContact O-N 3.08Å; A15-Q19 WeakPolarHBondContact O-CG 3.4Å; A15-Q19 PolarHBondContact O-N 2.89Å
16	T	52.8	Low	47.6	Very low	39 Å²	39	91.4 Å²	91.4	24%	0.239	50%	0.498	C	S	.	.	H	α-helix	trans	-71.6	-27.2	177.4	10.2	0	0	0	0	113.2	G12 S13 F14	G12-T16 PolarHBondContact O-N 3.4Å; G12-T16 PolarHBondContact O-OG1 3.38Å; S13-T16 WeakPolarHBondContact CA-OG1 3.34Å; S13-T16 PolarHBondContact O-N 2.83Å; S13-T16 PolarHBondContact O-OG1 3.13Å; S13-T16 VanDerWaalsContact O-OG1 3.11Å; F14-T16 PolarHBondContact O-N 2.76Å
17	L	47.5	Very low	48.4	Very low	40 Å²	40	94.5 Å²	94.5	21%	0.209	51%	0.51	C	S	.	.	H	α-helix	trans	-73.5	-29.4	175.9	-106.2	145.5	0	0	0	113.4	S13 F14 A15 K29 M32 L36	S13-L17 PolarHBondContact O-N 2.87Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 PolarHBondContact O-N 3.12Å; F14-L17 VanDerWaalsContact O-N 3.08Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 3.01Å; L17-K29 WeakPolarHBondContact O-CE 3.48Å; L17-M32 HydrophobicContact CD1-CB 3.86Å; L17-M32 HydrophobicContact CD1-CG 3.86Å; L17-M32 HydrophobicContact CG-CB 4.22Å; L17-M32 HydrophobicContact CG-CG 4.49Å; L17-L36 HydrophobicContact CD1-CD1 3.23Å
18	F	50.4	Low	49	Very low	162 Å²	162	98 Å²	98	71%	0.711	51%	0.508	S	S	*	.	S	Bend	trans	-98.9	2.1	179.6	-61.5	-69.3	0	0	0	113.8	F14 A15	F14-F18 HydrophobicContact CD1-CE2 4.23Å; F14-F18 WeakPolarHBondContact O-CD2 3.18Å; F14-F18 PolarHBondContact O-N 3.5Å; A15-F18 PolarHBondContact O-N 3.08Å
19	Q	48.8	Very low	49.6	Very low	110 Å²	110	98 Å²	98	51%	0.514	49%	0.493	S	S	.	.			trans	-79.6	122.6	170.1	-84.9	176.8	-18	0	0	110.4	A15 K29	A15-Q19 WeakPolarHBondContact O-CG 3.4Å; A15-Q19 PolarHBondContact O-N 2.89Å; Q19-K29 WeakPolarHBondContact O-CE 3.23Å; Q19-K29 PolarHBondContact O-NZ 3.16Å
20	D	48.4	Very low	50.3	Low	115 Å²	115	96.9 Å²	96.9	62%	0.615	50%	0.498	S	S	*	.			trans	-88.3	-2.3	178.9	-83.3	-18.6	0	0	0	113.9	L22 K29 L89	D20-L22 PolarHBondContact O-N 3.07Å; D20-K29 IonicContact OD1-NZ 2.74Å; D20-L89 WeakPolarHBondContact OD2-CD2 3.38Å
21	D	47.3	Very low	50.9	Low	131 Å²	131	102 Å²	102	70%	0.701	52%	0.518	S	S	*	.			trans	-83.7	118.4	-175.7	-70	-36.7	0	0	0	113.7
22	L	44.3	Very low	51.3	Low	140 Å²	140	94.8 Å²	94.8	73%	0.733	49%	0.487	S	S	*	.			trans	68.3	136.7	153.8	-64.9	165.5	0	0	0	118.2	D20 T24 S25	D20-L22 PolarHBondContact O-N 3.07Å; L22-T24 PolarHBondContact O-N 3.33Å; L22-S25 WeakPolarHBondContact O-CB 3.27Å; L22-S25 PolarHBondContact O-N 3.14Å
23	K	51.3	Low	51.4	Low	184 Å²	184	95.1 Å²	95.1	80%	0.8	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.6	-26.4	-175.2	-94.8	176.9	170.4	177.9	0	117.3	S25 E26	K23-S25 PolarHBondContact O-N 3.18Å; K23-E26 PolarHBondContact O-N 3.37Å
24	T	49.8	Very low	52	Low	119 Å²	119	101.4 Å²	101.4	73%	0.73	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-12.7	173.3	42.5	0	0	0	0	112.8	L22	L22-T24 PolarHBondContact O-N 3.33Å
25	S	51.8	Low	52.3	Low	14 Å²	14	100.6 Å²	100.6	10%	0.098	51%	0.505	C	S	.	.	H	α-helix	trans	-85.2	-19.1	175.9	-157.9	0	0	0	0	113.5	L22 K23 K28 K29	L22-S25 WeakPolarHBondContact O-CB 3.27Å; L22-S25 PolarHBondContact O-N 3.14Å; K23-S25 PolarHBondContact O-N 3.18Å; S25-K28 PolarHBondContact O-N 3.28Å; S25-K29 VanDerWaalsContact O-CB 3.25Å; S25-K29 WeakPolarHBondContact O-CB 3.48Å; S25-K29 WeakPolarHBondContact O-CG 3.24Å; S25-K29 PolarHBondContact O-N 3.44Å
26	E	57.2	Low	52.4	Low	133 Å²	133	101 Å²	101	62%	0.621	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-41.9	-179.8	-89.6	-173.1	155.4	0	0	113	K23 K28 K29 S30	K23-E26 PolarHBondContact O-N 3.37Å; E26-K28 VanDerWaalsContact C-N 3.35Å; E26-K29 PolarHBondContact O-N 3.06Å; E26-S30 VanDerWaalsContact O-CB 3.29Å; E26-S30 WeakPolarHBondContact O-CB 3.36Å; E26-S30 PolarHBondContact O-N 3.4Å; E26-S30 PolarHBondContact O-OG 2.95Å
27	E	58.7	Low	52.5	Low	160 Å²	160	109.7 Å²	109.7	75%	0.748	53%	0.528	S	S	*	.	H	α-helix	trans	-64.6	-41.7	174.3	-78.9	-172.4	163.8	0	0	111.2	S30 K31	E27-S30 PolarHBondContact O-N 2.94Å; E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 PolarHBondContact O-N 2.97Å
28	K	54.1	Low	52.7	Low	135 Å²	135	113.5 Å²	113.5	59%	0.587	55%	0.545	S	S	*	.	H	α-helix	trans	-63.2	-47.6	175	-74.2	-175.6	178.2	178.6	0	110.9	S25 E26 S30 K31 M32	S25-K28 PolarHBondContact O-N 3.28Å; E26-K28 VanDerWaalsContact C-N 3.35Å; K28-S30 VanDerWaalsContact C-N 3.29Å; K28-S30 PolarHBondContact O-N 3.02Å; K28-K31 PolarHBondContact O-N 3.39Å; K28-M32 VanDerWaalsContact O-CB 3.31Å; K28-M32 WeakPolarHBondContact O-CB 3.17Å; K28-M32 PolarHBondContact O-N 3.07Å
29	K	54.5	Low	52.8	Low	52 Å²	52	107.9 Å²	107.9	23%	0.226	52%	0.524	C	S	.	.	H	α-helix	trans	-58.2	-38.3	174	-87.4	177.5	167.8	173.1	0	112.1	L17 Q19 D20 S25 E26 M32 S33	L17-K29 WeakPolarHBondContact O-CE 3.48Å; Q19-K29 WeakPolarHBondContact O-CE 3.23Å; Q19-K29 PolarHBondContact O-NZ 3.16Å; D20-K29 IonicContact OD1-NZ 2.74Å; S25-K29 VanDerWaalsContact O-CB 3.25Å; S25-K29 WeakPolarHBondContact O-CB 3.48Å; S25-K29 WeakPolarHBondContact O-CG 3.24Å; S25-K29 PolarHBondContact O-N 3.44Å; E26-K29 PolarHBondContact O-N 3.06Å; K29-M32 PolarHBondContact O-N 3.11Å; K29-S33 VanDerWaalsContact O-CB 3.27Å; K29-S33 WeakPolarHBondContact O-CB 3.45Å; K29-S33 PolarHBondContact O-N 2.88Å; K29-S33 PolarHBondContact O-OG 3.46Å
30	S	59.4	Low	53.4	Low	78 Å²	78	105.6 Å²	105.6	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-70.9	-46.3	177.7	-62.4	0	0	0	0	111.6	E26 E27 K28 M32 S33 Y34	E26-S30 VanDerWaalsContact O-CB 3.29Å; E26-S30 WeakPolarHBondContact O-CB 3.36Å; E26-S30 PolarHBondContact O-N 3.4Å; E26-S30 PolarHBondContact O-OG 2.95Å; E27-S30 PolarHBondContact O-N 2.94Å; K28-S30 VanDerWaalsContact C-N 3.29Å; K28-S30 PolarHBondContact O-N 3.02Å; S30-M32 VanDerWaalsContact C-N 3.26Å; S30-M32 PolarHBondContact O-N 2.99Å; S30-S33 PolarHBondContact O-N 3.14Å; S30-Y34 WeakPolarHBondContact O-CB 3.27Å; S30-Y34 PolarHBondContact O-N 2.88Å
31	K	58.2	Low	54	Low	157 Å²	157	103.2 Å²	103.2	68%	0.683	51%	0.505	S	S	*	.	H	α-helix	trans	-58.5	-39.5	170.8	-112.4	176	175.8	173.8	0	111.5	E27 K28 Y34 L35	E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 PolarHBondContact O-N 2.97Å; K28-K31 PolarHBondContact O-N 3.39Å; K31-Y34 WeakPolarHBondContact O-CB 3.28Å; K31-Y34 PolarHBondContact O-N 3.25Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.33Å
32	M	51.7	Low	54.8	Low	27 Å²	27	98.3 Å²	98.3	13%	0.133	48%	0.479	C	S	.	.	H	α-helix	trans	-69.8	-44.3	178	-123.3	65.6	-168.7	0	0	112.3	F9 S13 L17 K28 K29 S30 Y34 L35 L36	F9-M32 HydrophobicContact CE1-CE 4.11Å; F9-M32 HydrophobicContact CE2-CE 4.41Å; F9-M32 HydrophobicContact CZ-CE 3.76Å; S13-M32 WeakPolarHBondContact OG-CE 3.45Å; L17-M32 HydrophobicContact CD1-CB 3.86Å; L17-M32 HydrophobicContact CD1-CG 3.86Å; L17-M32 HydrophobicContact CG-CB 4.22Å; L17-M32 HydrophobicContact CG-CG 4.49Å; K28-M32 VanDerWaalsContact O-CB 3.31Å; K28-M32 WeakPolarHBondContact O-CB 3.17Å; K28-M32 PolarHBondContact O-N 3.07Å; K29-M32 PolarHBondContact O-N 3.11Å; S30-M32 VanDerWaalsContact C-N 3.26Å; S30-M32 PolarHBondContact O-N 2.99Å; M32-Y34 PolarHBondContact O-N 3Å; M32-L35 PolarHBondContact O-N 3.03Å; M32-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 HydrophobicContact SD-CD1 4.37Å; M32-L36 WeakPolarHBondContact O-CB 3.32Å; M32-L36 PolarHBondContact O-N 2.97Å
33	S	52.1	Low	55.8	Low	50 Å²	50	97.2 Å²	97.2	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-33.2	174.9	-65.3	0	0	0	0	111.1	K29 S30 R37	K29-S33 VanDerWaalsContact O-CB 3.27Å; K29-S33 WeakPolarHBondContact O-CB 3.45Å; K29-S33 PolarHBondContact O-N 2.88Å; K29-S33 PolarHBondContact O-OG 3.46Å; S30-S33 PolarHBondContact O-N 3.14Å; S33-R37 WeakPolarHBondContact O-CB 2.99Å; S33-R37 VanDerWaalsContact O-CG 3.23Å; S33-R37 WeakPolarHBondContact O-CG 3.44Å; S33-R37 PolarHBondContact O-N 2.87Å; S33-R37 VanDerWaalsContact O-N 3.15Å
34	Y	58.1	Low	56.6	Low	142 Å²	142	90.5 Å²	90.5	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-67.2	-46.5	171.5	-176.9	-95.9	0	0	0	111.7	S30 K31 M32 R37 Q38	S30-Y34 WeakPolarHBondContact O-CB 3.27Å; S30-Y34 PolarHBondContact O-N 2.88Å; K31-Y34 WeakPolarHBondContact O-CB 3.28Å; K31-Y34 PolarHBondContact O-N 3.25Å; M32-Y34 PolarHBondContact O-N 3Å; Y34-R37 PolarHBondContact O-N 3.34Å; Y34-Q38 HydrophobicContact CE1-CG 4.41Å; Y34-Q38 PolarHBondContact O-N 3.37Å; Y34-Q38 PolarHBondContact OH-NE2 2.89Å
35	L	51.1	Low	57.4	Low	71 Å²	71	85.3 Å²	85.3	37%	0.372	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-47	176.4	-78.8	165	0	0	0	112.3	F9 K31 M32 R37 Q38 T39	F9-L35 HydrophobicContact CZ-CD1 4.37Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.33Å; M32-L35 PolarHBondContact O-N 3.03Å; M32-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 HydrophobicContact SD-CD1 4.37Å; L35-R37 VanDerWaalsContact C-N 3.26Å; L35-R37 PolarHBondContact O-N 3.4Å; L35-Q38 CarbonylContact O-C 3.47Å; L35-Q38 WeakPolarHBondContact O-CA 3.26Å; L35-Q38 WeakPolarHBondContact O-CB 3.31Å; L35-Q38 PolarHBondContact O-N 3.16Å; L35-T39 PolarHBondContact O-N 2.9Å; L35-T39 PolarHBondContact O-OG1 3.31Å
36	L	52.4	Low	58.1	Low	61 Å²	61	85.3 Å²	85.3	32%	0.319	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-29.7	176.9	-87.9	155.7	0	0	0	113.4	F14 L17 M32 Q38 L44	F14-L36 HydrophobicContact CE1-CD2 4.34Å; F14-L36 HydrophobicContact CZ-CD2 4.18Å; L17-L36 HydrophobicContact CD1-CD1 3.23Å; M32-L36 WeakPolarHBondContact O-CB 3.32Å; M32-L36 PolarHBondContact O-N 2.97Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-L44 HydrophobicContact CD2-CD1 4.4Å
37	R	54.8	Low	58.6	Low	223 Å²	223	83.5 Å²	83.5	84%	0.842	40%	0.402	S	S	*	.	H	α-helix	trans	-71.4	-26.6	171.3	-78.8	176.2	-177.9	-171.6	2.7	112.4	S33 Y34 L35	S33-R37 WeakPolarHBondContact O-CB 2.99Å; S33-R37 VanDerWaalsContact O-CG 3.23Å; S33-R37 WeakPolarHBondContact O-CG 3.44Å; S33-R37 PolarHBondContact O-N 2.87Å; S33-R37 VanDerWaalsContact O-N 3.15Å; Y34-R37 PolarHBondContact O-N 3.34Å; L35-R37 VanDerWaalsContact C-N 3.26Å; L35-R37 PolarHBondContact O-N 3.4Å
38	Q	52.2	Low	59.1	Low	120 Å²	120	82.3 Å²	82.3	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-85.4	-32.9	177.8	-72.6	-168.9	-14.8	0	0	113.1	Y34 L35 L36 P40	Y34-Q38 HydrophobicContact CE1-CG 4.41Å; Y34-Q38 PolarHBondContact O-N 3.37Å; Y34-Q38 PolarHBondContact OH-NE2 2.89Å; L35-Q38 CarbonylContact O-C 3.47Å; L35-Q38 WeakPolarHBondContact O-CA 3.26Å; L35-Q38 WeakPolarHBondContact O-CB 3.31Å; L35-Q38 PolarHBondContact O-N 3.16Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; Q38-P40 VanDerWaalsContact O-CD 3.3Å; Q38-P40 WeakPolarHBondContact O-CD 3.43Å
39	T	53.1	Low	59.7	Low	44 Å²	44	76 Å²	76	27%	0.27	36%	0.363	S	S	.	.	S	Bend	trans	-68.2	118.1	177.6	-36.8	0	0	0	0	109	L35 I41 L44	L35-T39 PolarHBondContact O-N 2.9Å; L35-T39 PolarHBondContact O-OG1 3.31Å; T39-I41 PolarHBondContact O-N 2.7Å; T39-I41 VanDerWaalsContact O-N 3.1Å; T39-L44 HydrophobicContact CG2-CG 4.33Å
40	P	59.9	Low	60	Low	61 Å²	61	78.3 Å²	78.3	40%	0.396	38%	0.376	S	S	.	.			trans	-57.6	122.2	175.1	-18.4	30.4	0	0	0	108.4	Q38 D42 E43	Q38-P40 VanDerWaalsContact O-CD 3.3Å; Q38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-D42 PolarHBondContact O-N 2.82Å; P40-E43 WeakPolarHBondContact O-CB 3.47Å; P40-E43 PolarHBondContact O-N 2.8Å
41	I	61.9	Low	60.2	Low	66 Å²	66	80.9 Å²	80.9	34%	0.338	38%	0.384	S	S	.	.	H	α-helix	trans	-53.3	-24.6	176.5	-74.4	163.5	0	0	0	111.6	T39 E43 L44 S45 P130	T39-I41 PolarHBondContact O-N 2.7Å; T39-I41 VanDerWaalsContact O-N 3.1Å; I41-E43 VanDerWaalsContact C-N 3.29Å; I41-E43 PolarHBondContact O-N 3.02Å; I41-L44 PolarHBondContact O-N 3.27Å; I41-S45 PolarHBondContact O-N 3.47Å; I41-S45 VanDerWaalsContact O-N 3.12Å; I41-S45 PolarHBondContact O-OG 3.47Å; I41-P130 HydrophobicContact CB-CB 4.49Å; I41-P130 HydrophobicContact CD1-CB 3.55Å; I41-P130 HydrophobicContact CD1-CG 3.87Å; I41-P130 HydrophobicContact CG2-CB 4.41Å; I41-P130 WeakPolarHBondContact CG2-O 3.33Å
42	D	64.2	Low	60.5	Low	27 Å²	27	76.8 Å²	76.8	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-30.7	176	-42.9	-48.7	0	0	0	112.7	P40 M46 R133 G134 Y137	P40-D42 PolarHBondContact O-N 2.82Å; D42-M46 WeakPolarHBondContact O-CG 3.47Å; D42-M46 PolarHBondContact O-N 2.8Å; D42-R133 IonicContact OD1-CZ 2.73Å; D42-R133 IonicContact OD1-NE 3.76Å; D42-R133 PolarHBondContact OD1-NE 3.43Å; D42-R133 IonicContact OD1-NH2 3.49Å; D42-R133 PolarHBondContact OD1-NH2 3.11Å; D42-R133 IonicContact OD2-CZ 2.69Å; D42-R133 IonicContact OD2-NE 2.63Å; D42-R133 PolarHBondContact OD2-NE 3.42Å; D42-R133 IonicContact OD2-NH2 3.09Å; D42-R133 PolarHBondContact OD2-NH2 3.38Å; D42-G134 WeakPolarHBondContact OD1-CA 3.25Å; D42-G134 PolarHBondContact OD1-N 2.84Å; D42-Y137 HydrophobicContact CB-CD1 3.72Å; D42-Y137 HydrophobicContact CB-CE1 4.29Å; D42-Y137 HydrophobicContact CB-CG 4.02Å
43	E	66	Low	61.3	Low	117 Å²	117	83.4 Å²	83.4	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-78.5	-40.3	179.7	-150.8	163.3	-138.8	0	0	111.6	P40 I41 S45 M46 E47	P40-E43 WeakPolarHBondContact O-CB 3.47Å; P40-E43 PolarHBondContact O-N 2.8Å; I41-E43 VanDerWaalsContact C-N 3.29Å; I41-E43 PolarHBondContact O-N 3.02Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 3.26Å; E43-M46 WeakPolarHBondContact O-CB 3.25Å; E43-M46 PolarHBondContact O-N 3.24Å; E43-E47 PolarHBondContact O-N 3.4Å
44	L	66.5	Low	62.4	Low	43 Å²	43	85.4 Å²	85.4	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-37.8	172.8	-67.8	172.4	0	0	0	112.1	L10 L36 T39 I41 W48	L10-L44 HydrophobicContact CD1-CD2 4.04Å; L10-L44 HydrophobicContact CD2-CD2 4.44Å; L36-L44 HydrophobicContact CD2-CD1 4.4Å; T39-L44 HydrophobicContact CG2-CG 4.33Å; I41-L44 PolarHBondContact O-N 3.27Å; L44-W48 WeakPolarHBondContact O-CB 3.48Å; L44-W48 PolarHBondContact O-N 3.43Å; L44-W48 VanDerWaalsContact O-N 3.11Å
45	S	67.9	Low	63.4	Low	11 Å²	11	82.5 Å²	82.5	8%	0.077	41%	0.405	C	S	.	.	H	α-helix	trans	-62.9	-44.6	176.6	-56.1	0	0	0	0	110.9	I41 E43 L49	I41-S45 PolarHBondContact O-N 3.47Å; I41-S45 VanDerWaalsContact O-N 3.12Å; I41-S45 PolarHBondContact O-OG 3.47Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 3.26Å; S45-L49 WeakPolarHBondContact O-CD1 3.33Å; S45-L49 PolarHBondContact O-N 3.33Å
46	M	66.7	Low	64.6	Low	14 Å²	14	80 Å²	80	7%	0.069	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-51.9	176.1	-76.5	-73.7	-44.4	0	0	112.1	D42 E43 W48 L49 I50 Y137 T138 K141	D42-M46 WeakPolarHBondContact O-CG 3.47Å; D42-M46 PolarHBondContact O-N 2.8Å; E43-M46 WeakPolarHBondContact O-CB 3.25Å; E43-M46 PolarHBondContact O-N 3.24Å; M46-W48 VanDerWaalsContact C-N 3.35Å; M46-W48 PolarHBondContact O-N 2.92Å; M46-L49 PolarHBondContact O-N 3.42Å; M46-I50 HydrophobicContact CB-CD1 4.4Å; M46-I50 HydrophobicContact CE-CD1 3.76Å; M46-I50 HydrophobicContact CE-CG1 4.26Å; M46-I50 WeakPolarHBondContact O-CB 3.28Å; M46-I50 WeakPolarHBondContact O-CD1 3.29Å; M46-I50 WeakPolarHBondContact O-CG1 3.23Å; M46-I50 PolarHBondContact O-N 3.48Å; M46-Y137 HydrophobicContact CG-CD1 4.07Å; M46-Y137 HydrophobicContact CG-CE1 3.89Å; M46-Y137 HydrophobicContact SD-CD1 4.48Å; M46-Y137 HydrophobicContact SD-CE1 4.37Å; M46-T138 HydrophobicContact CG-CG2 4.4Å; M46-T138 HydrophobicContact SD-CG2 3.58Å; M46-T138 VanDerWaalsContact SD-CG2 3.58Å; M46-K141 HydrophobicContact CE-CD 3.63Å; M46-K141 HydrophobicContact CE-CG 4.26Å; M46-K141 HydrophobicContact SD-CB 4.15Å; M46-K141 HydrophobicContact SD-CD 3.73Å; M46-K141 HydrophobicContact SD-CG 4.35Å
47	E	67.8	Low	65.8	Low	95 Å²	95	82.3 Å²	82.3	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-54.4	-50.1	-179.6	-82.2	-91.2	132.9	0	0	111.7	E43 L49 I50 L51	E43-E47 PolarHBondContact O-N 3.4Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 2.83Å; E47-I50 PolarHBondContact O-N 3.17Å; E47-L51 PolarHBondContact O-N 3.45Å
48	W	69.3	Low	67	Low	135 Å²	135	73.1 Å²	73.1	51%	0.511	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-37.6	-178	-174.9	67.4	0	0	0	112.4	L44 M46 L67	L44-W48 WeakPolarHBondContact O-CB 3.48Å; L44-W48 PolarHBondContact O-N 3.43Å; L44-W48 VanDerWaalsContact O-N 3.11Å; M46-W48 VanDerWaalsContact C-N 3.35Å; M46-W48 PolarHBondContact O-N 2.92Å; W48-L67 HydrophobicContact CH2-CD1 4.02Å; W48-L67 HydrophobicContact CH2-CD2 3.44Å; W48-L67 VanDerWaalsContact CH2-CD2 3.44Å; W48-L67 HydrophobicContact CH2-CG 4.3Å; W48-L67 HydrophobicContact CZ3-CD1 3.61Å; W48-L67 HydrophobicContact CZ3-CD2 3.5Å; W48-L67 HydrophobicContact CZ3-CG 4.17Å
49	L	65.4	Low	68.3	Low	3 Å²	3	69.1 Å²	69.1	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-85.3	-19	-179.8	-77.9	152.1	0	0	0	114.1	S45 M46 E47 L51 R59 I63 L67 L135 T138	S45-L49 WeakPolarHBondContact O-CD1 3.33Å; S45-L49 PolarHBondContact O-N 3.33Å; M46-L49 PolarHBondContact O-N 3.42Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 2.83Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-R59 VanDerWaalsContact O-CD 3.23Å; L49-R59 WeakPolarHBondContact O-CD 3.49Å; L49-R59 PolarHBondContact O-NH1 2.97Å; L49-I63 HydrophobicContact CB-CD1 4.41Å; L49-I63 HydrophobicContact CD1-CD1 3.54Å; L49-I63 HydrophobicContact CD1-CG1 3.5Å; L49-I63 HydrophobicContact CD2-CD1 3.81Å; L49-I63 HydrophobicContact CD2-CG1 3.57Å; L49-I63 HydrophobicContact CG-CD1 4.1Å; L49-I63 HydrophobicContact CG-CG1 4.13Å; L49-L67 HydrophobicContact CD2-CD1 3.8Å; L49-L135 HydrophobicContact CD1-CD2 3.87Å; L49-T138 HydrophobicContact CB-CG2 4.21Å; L49-T138 HydrophobicContact CD1-CG2 3.84Å
50	I	61.9	Low	69.5	Low	99 Å²	99	67.5 Å²	67.5	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-71.4	-34	170.8	-72.6	164	0	0	0	110.5	M46 E47 E52	M46-I50 HydrophobicContact CB-CD1 4.4Å; M46-I50 HydrophobicContact CE-CD1 3.76Å; M46-I50 HydrophobicContact CE-CG1 4.26Å; M46-I50 WeakPolarHBondContact O-CB 3.28Å; M46-I50 WeakPolarHBondContact O-CD1 3.29Å; M46-I50 WeakPolarHBondContact O-CG1 3.23Å; M46-I50 PolarHBondContact O-N 3.48Å; E47-I50 PolarHBondContact O-N 3.17Å; I50-E52 PolarHBondContact O-N 3.08Å
51	L	62.1	Low	70.5	Confident	133 Å²	133	70.5 Å²	70.5	70%	0.696	35%	0.348	S	S	*	.	S	Bend	trans	-66.6	-14.9	176.9	-86.1	147.9	0	0	0	113.9	E47 L49 N53	E47-L51 PolarHBondContact O-N 3.45Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L51-N53 PolarHBondContact O-N 3.46Å
52	E	64.9	Low	71.3	Confident	71 Å²	71	69.6 Å²	69.6	33%	0.332	34%	0.343	S	S	.	.			trans	-77.5	119.6	176.1	-81.6	-67.4	155.4	0	0	111.4	I50 H54 R59	I50-E52 PolarHBondContact O-N 3.08Å; E52-H54 PolarHBondContact O-N 2.87Å; E52-H54 IonicContact OE2-CE1 2.88Å; E52-H54 PolarHBondContact OE2-CE1 3.13Å; E52-H54 VanDerWaalsContact OE2-CE1 3.24Å; E52-H54 IonicContact OE2-ND1 3.63Å; E52-H54 PolarHBondContact OE2-ND1 2.76Å; E52-R59 HydrophobicContact CB-CG 4.38Å; E52-R59 WeakPolarHBondContact O-CD 3.45Å
53	N	69.1	Low	72	Confident	166 Å²	166	68.5 Å²	68.5	89%	0.888	34%	0.338	S	S	*	.			trans	-70.7	11.5	-179.8	-78	-18.8	0	0	0	114.6	L51	L51-N53 PolarHBondContact O-N 3.46Å
54	H	75.4	Confident	72.5	Confident	91 Å²	91	67.3 Å²	67.3	42%	0.421	34%	0.335	S	S	.	.	S	Bend	trans	-81.5	147.9	-177.2	-70.4	94.3	0	0	0	111.7	E52 A58 R59	E52-H54 PolarHBondContact O-N 2.87Å; E52-H54 IonicContact OE2-CE1 2.88Å; E52-H54 PolarHBondContact OE2-CE1 3.13Å; E52-H54 VanDerWaalsContact OE2-CE1 3.24Å; E52-H54 IonicContact OE2-ND1 3.63Å; E52-H54 PolarHBondContact OE2-ND1 2.76Å; H54-A58 HydrophobicContact CB-CB 4.11Å; H54-R59 HydrophobicContact CB-CG 3.83Å; H54-R59 WeakPolarHBondContact O-CD 3.5Å; H54-R59 PolarHBondContact O-NE 3.44Å
55	P	78.5	Confident	72.9	Confident	81 Å²	81	67.3 Å²	67.3	53%	0.526	34%	0.335	S	S	.	.			trans	-57	153.9	175.5	22	-30.2	0	0	0	111.1	E57 A58 R59	P55-E57 PolarHBondContact O-N 3.34Å; P55-E57 VanDerWaalsContact O-N 3.17Å; P55-A58 HydrophobicContact CG-CB 3.75Å; P55-A58 WeakPolarHBondContact O-CA 3.03Å; P55-A58 WeakPolarHBondContact O-CB 3.2Å; P55-A58 PolarHBondContact O-N 3.28Å; P55-R59 PolarHBondContact O-N 3.19Å
56	I	75.9	Confident	73.3	Confident	20 Å²	20	70.1 Å²	70.1	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-39.2	-172.7	-67.6	166.4	0	0	0	110.7	R59 A60 L142 M146 Q149	I56-R59 PolarHBondContact O-N 2.97Å; I56-A60 VanDerWaalsContact O-CB 3.3Å; I56-A60 WeakPolarHBondContact O-CB 3.27Å; I56-A60 PolarHBondContact O-N 3.47Å; I56-L142 HydrophobicContact CG2-CB 4.4Å; I56-L142 HydrophobicContact CG2-CD2 4.1Å; I56-M146 HydrophobicContact CG2-CG 3.47Å; I56-M146 VanDerWaalsContact CG2-CG 3.47Å; I56-M146 HydrophobicContact CG2-SD 4.11Å; I56-Q149 VanDerWaalsContact CD1-NE2 3.28Å
57	E	77.8	Confident	73.9	Confident	108 Å²	108	70.5 Å²	70.5	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-41.6	177.4	-59.9	79	-176.2	0	0	111.8	P55 Y61 M146	P55-E57 PolarHBondContact O-N 3.34Å; P55-E57 VanDerWaalsContact O-N 3.17Å; E57-Y61 WeakPolarHBondContact O-CB 3.49Å; E57-Y61 PolarHBondContact O-N 3.16Å; E57-M146 HydrophobicContact CG-CE 4.23Å
58	A	80.2	Confident	74.2	Confident	30 Å²	30	66.5 Å²	66.5	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-69.9	-38.8	177.4	0	0	0	0	0	111.4	H54 P55 Y61 L62	H54-A58 HydrophobicContact CB-CB 4.11Å; P55-A58 HydrophobicContact CG-CB 3.75Å; P55-A58 WeakPolarHBondContact O-CA 3.03Å; P55-A58 WeakPolarHBondContact O-CB 3.2Å; P55-A58 PolarHBondContact O-N 3.28Å; A58-Y61 PolarHBondContact O-N 2.92Å; A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.22Å; A58-L62 WeakPolarHBondContact O-CG 3.33Å; A58-L62 PolarHBondContact O-N 2.98Å
59	R	80.6	Confident	74.6	Confident	36 Å²	36	60.4 Å²	60.4	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-47.4	175	-72	-173.6	-77.6	157.4	2.3	111.6	L49 E52 H54 P55 I56 Y61 L62 I63 L142	L49-R59 VanDerWaalsContact O-CD 3.23Å; L49-R59 WeakPolarHBondContact O-CD 3.49Å; L49-R59 PolarHBondContact O-NH1 2.97Å; E52-R59 HydrophobicContact CB-CG 4.38Å; E52-R59 WeakPolarHBondContact O-CD 3.45Å; H54-R59 HydrophobicContact CB-CG 3.83Å; H54-R59 WeakPolarHBondContact O-CD 3.5Å; H54-R59 PolarHBondContact O-NE 3.44Å; P55-R59 PolarHBondContact O-N 3.19Å; I56-R59 PolarHBondContact O-N 2.97Å; R59-Y61 VanDerWaalsContact C-N 3.26Å; R59-Y61 PolarHBondContact O-N 3.39Å; R59-L62 PolarHBondContact O-N 3.19Å; R59-I63 WeakPolarHBondContact O-CB 3.33Å; R59-I63 WeakPolarHBondContact O-CD1 3.38Å; R59-I63 WeakPolarHBondContact O-CG1 3.37Å; R59-I63 PolarHBondContact O-N 3.2Å; R59-L142 HydrophobicContact CB-CD1 4.27Å
60	A	77.9	Confident	75.3	Confident	11 Å²	11	62 Å²	62	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-44.3	173.8	0	0	0	0	0	110.5	I56 I63 D64 L139 L142 M146	I56-A60 VanDerWaalsContact O-CB 3.3Å; I56-A60 WeakPolarHBondContact O-CB 3.27Å; I56-A60 PolarHBondContact O-N 3.47Å; A60-I63 PolarHBondContact O-N 3.15Å; A60-D64 WeakPolarHBondContact O-CB 3.35Å; A60-D64 PolarHBondContact O-N 3.01Å; A60-L139 HydrophobicContact CB-CD1 4.01Å; A60-L142 HydrophobicContact CB-CD1 4.49Å; A60-M146 HydrophobicContact CB-SD 4.3Å
61	Y	80.8	Confident	76.1	Confident	124 Å²	124	60 Å²	60	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.3	-176.8	-96.7	0	0	0	113.2	E57 A58 R59 D64 N65 I66	E57-Y61 WeakPolarHBondContact O-CB 3.49Å; E57-Y61 PolarHBondContact O-N 3.16Å; A58-Y61 PolarHBondContact O-N 2.92Å; R59-Y61 VanDerWaalsContact C-N 3.26Å; R59-Y61 PolarHBondContact O-N 3.39Å; Y61-D64 PolarHBondContact O-N 3.39Å; Y61-N65 HydrophobicContact CD2-CB 4.46Å; Y61-N65 WeakPolarHBondContact CD2-ND2 3.34Å; Y61-N65 HydrophobicContact CE1-CB 4.38Å; Y61-N65 HydrophobicContact CE2-CB 4.13Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.14Å; Y61-N65 VanDerWaalsContact O-CB 3.3Å; Y61-N65 WeakPolarHBondContact O-CB 3.24Å; Y61-N65 PolarHBondContact O-N 2.96Å; Y61-N65 PolarHBondContact O-ND2 2.99Å; Y61-I66 HydrophobicContact CD1-CD1 4.43Å; Y61-I66 HydrophobicContact CE1-CD1 3.94Å; Y61-I66 HydrophobicContact CE1-CG1 4.28Å
62	L	78.7	Confident	76.8	Confident	46 Å²	46	56.6 Å²	56.6	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-45.4	177.7	-76.3	167.2	0	0	0	111.3	A58 R59 I66 L67	A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.22Å; A58-L62 WeakPolarHBondContact O-CG 3.33Å; A58-L62 PolarHBondContact O-N 2.98Å; R59-L62 PolarHBondContact O-N 3.19Å; L62-I66 HydrophobicContact CD2-CB 4.2Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 HydrophobicContact CD2-CG1 4.44Å; L62-I66 HydrophobicContact CD2-CG2 4.45Å; L62-I66 PolarHBondContact O-N 3.1Å; L62-L67 HydrophobicContact CB-CD1 4.25Å; L62-L67 WeakPolarHBondContact O-CB 3.45Å; L62-L67 PolarHBondContact O-N 3.12Å
63	I	78.1	Confident	77.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-44.1	178.6	-67.3	161.9	0	0	0	111	L49 R59 A60 L67 P68 L135 T138 L139 L142	L49-I63 HydrophobicContact CB-CD1 4.41Å; L49-I63 HydrophobicContact CD1-CD1 3.54Å; L49-I63 HydrophobicContact CD1-CG1 3.5Å; L49-I63 HydrophobicContact CD2-CD1 3.81Å; L49-I63 HydrophobicContact CD2-CG1 3.57Å; L49-I63 HydrophobicContact CG-CD1 4.1Å; L49-I63 HydrophobicContact CG-CG1 4.13Å; R59-I63 WeakPolarHBondContact O-CB 3.33Å; R59-I63 WeakPolarHBondContact O-CD1 3.38Å; R59-I63 WeakPolarHBondContact O-CG1 3.37Å; R59-I63 PolarHBondContact O-N 3.2Å; A60-I63 PolarHBondContact O-N 3.15Å; I63-L67 HydrophobicContact CG1-CD1 4.43Å; I63-P68 WeakPolarHBondContact O-CD 3.34Å; I63-P68 VanDerWaalsContact O-CG 3.23Å; I63-P68 WeakPolarHBondContact O-CG 3.21Å; I63-L135 HydrophobicContact CG2-CB 4.01Å; I63-L135 HydrophobicContact CG2-CD2 4.17Å; I63-L135 WeakPolarHBondContact CG2-O 3.38Å; I63-T138 HydrophobicContact CD1-CG2 3.8Å; I63-L139 HydrophobicContact CG2-CB 4.07Å; I63-L142 HydrophobicContact CD1-CD1 3.33Å
64	D	76.4	Confident	78.2	Confident	92 Å²	92	49.1 Å²	49.1	49%	0.492	26%	0.257	S	S	.	.	H	α-helix	trans	-75.5	-36	-174.5	-167.1	40.8	0	0	0	111.7	A60 Y61 L139	A60-D64 WeakPolarHBondContact O-CB 3.35Å; A60-D64 PolarHBondContact O-N 3.01Å; Y61-D64 PolarHBondContact O-N 3.39Å; D64-L139 HydrophobicContact CB-CD1 4.18Å; D64-L139 HydrophobicContact CB-CD2 4.18Å
65	N	75.2	Confident	78.4	Confident	43 Å²	43	48.8 Å²	48.8	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-118.7	-24.2	-167.3	-61.6	-79.2	0	0	0	116.3	Y61 H120	Y61-N65 HydrophobicContact CD2-CB 4.46Å; Y61-N65 WeakPolarHBondContact CD2-ND2 3.34Å; Y61-N65 HydrophobicContact CE1-CB 4.38Å; Y61-N65 HydrophobicContact CE2-CB 4.13Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.14Å; Y61-N65 VanDerWaalsContact O-CB 3.3Å; Y61-N65 WeakPolarHBondContact O-CB 3.24Å; Y61-N65 PolarHBondContact O-N 2.96Å; Y61-N65 PolarHBondContact O-ND2 2.99Å; N65-H120 VanDerWaalsContact O-CB 3.23Å; N65-H120 WeakPolarHBondContact O-CB 3.35Å
66	I	76.6	Confident	78.6	Confident	70 Å²	70	47.2 Å²	47.2	36%	0.359	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-55.1	-167.4	-58.2	-167.3	0	0	0	112.4	Y61 L62 Q69 V70	Y61-I66 HydrophobicContact CD1-CD1 4.43Å; Y61-I66 HydrophobicContact CE1-CD1 3.94Å; Y61-I66 HydrophobicContact CE1-CG1 4.28Å; L62-I66 HydrophobicContact CD2-CB 4.2Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 HydrophobicContact CD2-CG1 4.44Å; L62-I66 HydrophobicContact CD2-CG2 4.45Å; L62-I66 PolarHBondContact O-N 3.1Å; I66-Q69 WeakPolarHBondContact O-CB 3.28Å; I66-Q69 PolarHBondContact O-N 2.97Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-V70 HydrophobicContact CG2-CG2 3.84Å; I66-V70 WeakPolarHBondContact O-CG2 3.46Å; I66-V70 PolarHBondContact O-N 2.9Å; I66-V70 VanDerWaalsContact O-N 3.16Å
67	L	78.6	Confident	79	Confident	22 Å²	22	46.9 Å²	46.9	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-44	-172.1	-98.3	157.3	0	0	0	115.2	W48 L49 L62 I63 Q69 V70 V71 Y131	W48-L67 HydrophobicContact CH2-CD1 4.02Å; W48-L67 HydrophobicContact CH2-CD2 3.44Å; W48-L67 VanDerWaalsContact CH2-CD2 3.44Å; W48-L67 HydrophobicContact CH2-CG 4.3Å; W48-L67 HydrophobicContact CZ3-CD1 3.61Å; W48-L67 HydrophobicContact CZ3-CD2 3.5Å; W48-L67 HydrophobicContact CZ3-CG 4.17Å; L49-L67 HydrophobicContact CD2-CD1 3.8Å; L62-L67 HydrophobicContact CB-CD1 4.25Å; L62-L67 WeakPolarHBondContact O-CB 3.45Å; L62-L67 PolarHBondContact O-N 3.12Å; I63-L67 HydrophobicContact CG1-CD1 4.43Å; L67-Q69 PolarHBondContact O-N 2.86Å; L67-V70 PolarHBondContact O-N 2.8Å; L67-V71 PolarHBondContact O-N 3.37Å; L67-Y131 PolarHBondContact O-OH 3.39Å
68	P	75.2	Confident	79.2	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.071	25%	0.247	C	C	.	.	H	α-helix	trans	-52.8	-39.1	174.6	-30	36.3	0	0	0	113.3	I63 F125 L135	I63-P68 WeakPolarHBondContact O-CD 3.34Å; I63-P68 VanDerWaalsContact O-CG 3.23Å; I63-P68 WeakPolarHBondContact O-CG 3.21Å; P68-F125 HydrophobicContact CB-CD1 4.05Å; P68-F125 HydrophobicContact CB-CD2 4.09Å; P68-F125 HydrophobicContact CB-CE1 3.42Å; P68-F125 VanDerWaalsContact CB-CE1 3.42Å; P68-F125 HydrophobicContact CB-CE2 3.48Å; P68-F125 VanDerWaalsContact CB-CE2 3.48Å; P68-F125 HydrophobicContact CB-CG 4.37Å; P68-F125 HydrophobicContact CB-CZ 3.13Å; P68-F125 HydrophobicContact CG-CE2 4.33Å; P68-F125 HydrophobicContact CG-CZ 4.36Å; P68-L135 HydrophobicContact CG-CD1 3.76Å
69	Q	77	Confident	79.3	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-74.7	-45.7	-179.1	-126.7	96.5	6.8	0	0	112.9	I66 L67 V71 L72 G73 L115 N118 N119 H120	I66-Q69 WeakPolarHBondContact O-CB 3.28Å; I66-Q69 PolarHBondContact O-N 2.97Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; L67-Q69 PolarHBondContact O-N 2.86Å; Q69-V71 VanDerWaalsContact C-N 3.32Å; Q69-V71 PolarHBondContact O-N 2.94Å; Q69-L72 PolarHBondContact O-N 3.5Å; Q69-G73 PolarHBondContact O-N 3.1Å; Q69-L115 HydrophobicContact CB-CD2 3.99Å; Q69-L115 HydrophobicContact CG-CD2 4.18Å; Q69-N118 PolarHBondContact NE2-O 3.22Å; Q69-N119 PolarHBondContact NE2-O 2.88Å; Q69-H120 VanDerWaalsContact CD-CA 3.44Å; Q69-H120 VanDerWaalsContact OE1-CA 3.23Å
70	V	79.8	Confident	79.4	Confident	36 Å²	36	51.9 Å²	51.9	22%	0.218	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-40.4	-172.4	172.7	0	0	0	0	110.6	I66 L67 L72 G73 L74 L115	I66-V70 HydrophobicContact CG2-CG2 3.84Å; I66-V70 WeakPolarHBondContact O-CG2 3.46Å; I66-V70 PolarHBondContact O-N 2.9Å; I66-V70 VanDerWaalsContact O-N 3.16Å; L67-V70 PolarHBondContact O-N 2.8Å; V70-L72 PolarHBondContact O-N 2.98Å; V70-G73 PolarHBondContact O-N 3.35Å; V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 HydrophobicContact CG1-CG 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 3.41Å; V70-L115 HydrophobicContact CG2-CD1 4.34Å; V70-L115 HydrophobicContact CG2-CD2 4.15Å
71	V	78.5	Confident	79.5	Confident	56 Å²	56	51.8 Å²	51.8	34%	0.339	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-42.8	178.8	173.3	0	0	0	0	111.6	L67 Q69 G73 L74 E75 Y131	L67-V71 PolarHBondContact O-N 3.37Å; Q69-V71 VanDerWaalsContact C-N 3.32Å; Q69-V71 PolarHBondContact O-N 2.94Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.4Å; V71-L74 PolarHBondContact O-N 2.83Å; V71-E75 PolarHBondContact O-N 3.32Å; V71-Y131 HydrophobicContact CB-CE1 4.36Å; V71-Y131 HydrophobicContact CG1-CE1 4.46Å; V71-Y131 HydrophobicContact CG2-CE2 4.49Å; V71-Y131 WeakPolarHBondContact CG2-OH 2.93Å
72	L	76.7	Confident	79.2	Confident	63 Å²	63	49.7 Å²	49.7	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-36.6	174.6	-65.3	178.5	0	0	0	112.3	Q69 V70 E75 S76 Y114 F125	Q69-L72 PolarHBondContact O-N 3.5Å; V70-L72 PolarHBondContact O-N 2.98Å; L72-E75 PolarHBondContact O-N 3.24Å; L72-S76 WeakPolarHBondContact O-CB 3.44Å; L72-S76 PolarHBondContact O-N 3.39Å; L72-Y114 HydrophobicContact CB-CE1 4.45Å; L72-F125 HydrophobicContact CD1-CD1 4.02Å; L72-F125 HydrophobicContact CD1-CE1 3.65Å
73	G	80.6	Confident	79.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-46.5	174.7	0	0	0	0	0	112.2	Q69 V70 V71 S76 I77	Q69-G73 PolarHBondContact O-N 3.1Å; V70-G73 PolarHBondContact O-N 3.35Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.4Å; G73-S76 WeakPolarHBondContact O-CB 3.48Å; G73-S76 PolarHBondContact O-N 2.84Å; G73-I77 VanDerWaalsContact O-CD1 3.31Å; G73-I77 WeakPolarHBondContact O-CD1 3.21Å; G73-I77 WeakPolarHBondContact O-CG1 3.4Å; G73-I77 PolarHBondContact O-N 2.95Å
74	L	84.1	Confident	79.1	Confident	80 Å²	80	60 Å²	60	42%	0.419	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-43.2	175.1	-71	170.4	0	0	0	111.7	V70 V71 S76 I77 L78 L111	V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 HydrophobicContact CG1-CG 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 3.41Å; V71-L74 PolarHBondContact O-N 2.83Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.34Å; L74-I77 PolarHBondContact O-N 2.78Å; L74-L78 WeakPolarHBondContact O-CB 3.06Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 2.8Å; L74-L111 HydrophobicContact CD2-CD1 4.4Å; L74-L111 HydrophobicContact CD2-CD2 4.21Å; L74-L111 HydrophobicContact CG-CD1 4.37Å
75	E	79.9	Confident	78.6	Confident	84 Å²	84	62.2 Å²	62.2	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-43.6	175.4	-169.9	-170.3	166.8	0	0	111.4	V71 L72 L78 K79	V71-E75 PolarHBondContact O-N 3.32Å; L72-E75 PolarHBondContact O-N 3.24Å; E75-L78 PolarHBondContact O-N 2.89Å; E75-K79 HydrophobicContact CG-CD 4.47Å; E75-K79 WeakPolarHBondContact O-CB 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.22Å; E75-K79 WeakPolarHBondContact OE1-CE 3.32Å; E75-K79 IonicContact OE1-NZ 3.97Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å
76	S	81.9	Confident	78.3	Confident	48 Å²	48	61.5 Å²	61.5	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-43.1	176.9	-172.1	0	0	0	0	112.2	L72 G73 L74 K79 E80 Y114	L72-S76 WeakPolarHBondContact O-CB 3.44Å; L72-S76 PolarHBondContact O-N 3.39Å; G73-S76 WeakPolarHBondContact O-CB 3.48Å; G73-S76 PolarHBondContact O-N 2.84Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.34Å; S76-K79 PolarHBondContact O-N 3.16Å; S76-E80 WeakPolarHBondContact O-CB 3.3Å; S76-E80 PolarHBondContact O-N 3.24Å; S76-Y114 VanDerWaalsContact CB-CE2 3.49Å
77	I	84.8	Confident	77.8	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-41	179.2	-64.4	158.7	0	0	0	110.7	G73 L74 E80 A81 F105 P107 R110 L111	G73-I77 VanDerWaalsContact O-CD1 3.31Å; G73-I77 WeakPolarHBondContact O-CD1 3.21Å; G73-I77 WeakPolarHBondContact O-CG1 3.4Å; G73-I77 PolarHBondContact O-N 2.95Å; L74-I77 PolarHBondContact O-N 2.78Å; I77-E80 PolarHBondContact O-N 3.46Å; I77-A81 WeakPolarHBondContact O-CB 3.35Å; I77-A81 PolarHBondContact O-N 2.89Å; I77-F105 HydrophobicContact CG2-CE1 4.38Å; I77-F105 HydrophobicContact CG2-CZ 3.77Å; I77-P107 HydrophobicContact CG2-CB 3.98Å; I77-R110 HydrophobicContact CD1-CB 4.43Å; I77-R110 HydrophobicContact CG1-CB 4.02Å; I77-L111 HydrophobicContact CD1-CB 3.41Å; I77-L111 VanDerWaalsContact CD1-CB 3.41Å; I77-L111 HydrophobicContact CD1-CD1 3.64Å; I77-L111 HydrophobicContact CD1-CG 4.08Å
78	L	81.7	Confident	76.8	Confident	106 Å²	106	65 Å²	65	56%	0.555	33%	0.329	S	S	*	.	H	α-helix	trans	-62.3	-47.1	176.1	-74.4	169.8	0	0	0	110.5	L74 E75 E80 A81 T82	L74-L78 WeakPolarHBondContact O-CB 3.06Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 2.8Å; E75-L78 PolarHBondContact O-N 2.89Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 3.4Å; L78-A81 WeakPolarHBondContact O-CB 3.49Å; L78-A81 PolarHBondContact O-N 3.26Å; L78-A81 VanDerWaalsContact O-N 3.16Å; L78-T82 PolarHBondContact O-N 3.07Å; L78-T82 PolarHBondContact O-OG1 3.17Å
79	K	81.7	Confident	75.8	Confident	127 Å²	127	71.1 Å²	71.1	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-59	-39.6	174.4	-74.4	176.1	-176	169.9	0	112.3	E75 S76 R83	E75-K79 HydrophobicContact CG-CD 4.47Å; E75-K79 WeakPolarHBondContact O-CB 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.22Å; E75-K79 WeakPolarHBondContact OE1-CE 3.32Å; E75-K79 IonicContact OE1-NZ 3.97Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å; S76-K79 PolarHBondContact O-N 3.16Å; K79-R83 WeakPolarHBondContact O-CB 3.46Å; K79-R83 PolarHBondContact O-N 3.28Å
80	E	82.2	Confident	74.6	Confident	46 Å²	46	77.1 Å²	77.1	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-66.1	-43.7	175.5	-169.4	-178.8	166.3	0	0	111.9	S76 I77 L78 T82 R83 R84 F105 R110	S76-E80 WeakPolarHBondContact O-CB 3.3Å; S76-E80 PolarHBondContact O-N 3.24Å; I77-E80 PolarHBondContact O-N 3.46Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 3.4Å; E80-T82 VanDerWaalsContact C-N 3.35Å; E80-R83 PolarHBondContact O-N 2.84Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.9Å; E80-R84 IonicContact OE1-CZ 3.3Å; E80-R84 VanDerWaalsContact OE1-CZ 3.29Å; E80-R84 IonicContact OE1-NE 3.79Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 VanDerWaalsContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.48Å; E80-R84 PolarHBondContact OE1-NH2 3.08Å; E80-F105 HydrophobicContact CB-CE2 4.12Å; E80-F105 HydrophobicContact CG-CE2 3.84Å; E80-R110 IonicContact OE1-NE 2.83Å
81	A	79.9	Confident	73.2	Confident	9 Å²	9	82.3 Å²	82.3	7%	0.074	42%	0.424	C	S	.	.	H	α-helix	trans	-61.2	-43.1	175.8	0	0	0	0	0	111.3	I77 L78 R84 N85 L86 I87 F105	I77-A81 WeakPolarHBondContact O-CB 3.35Å; I77-A81 PolarHBondContact O-N 2.89Å; L78-A81 WeakPolarHBondContact O-CB 3.49Å; L78-A81 PolarHBondContact O-N 3.26Å; L78-A81 VanDerWaalsContact O-N 3.16Å; A81-R84 PolarHBondContact O-N 2.82Å; A81-N85 PolarHBondContact O-N 2.93Å; A81-L86 HydrophobicContact CB-CB 4.43Å; A81-L86 PolarHBondContact O-N 2.93Å; A81-I87 HydrophobicContact CB-CD1 4.06Å; A81-I87 HydrophobicContact CB-CG1 3.9Å; A81-F105 HydrophobicContact CB-CE1 3.78Å; A81-F105 HydrophobicContact CB-CZ 3.68Å
82	T	76.5	Confident	71.8	Confident	80 Å²	80	83.8 Å²	83.8	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-46.9	174.1	-47.7	0	0	0	0	110.7	L78 E80 R84 N85 I87	L78-T82 PolarHBondContact O-N 3.07Å; L78-T82 PolarHBondContact O-OG1 3.17Å; E80-T82 VanDerWaalsContact C-N 3.35Å; T82-R84 PolarHBondContact O-N 2.74Å; T82-N85 WeakPolarHBondContact O-CA 3.48Å; T82-N85 PolarHBondContact O-N 3.48Å; T82-N85 PolarHBondContact O-OD1 3.31Å; T82-I87 WeakPolarHBondContact OG1-CD1 3.3Å
83	R	77.2	Confident	70.4	Confident	192 Å²	192	86.4 Å²	86.4	73%	0.725	44%	0.444	S	S	*	.	H	α-helix	trans	-62.7	-30.7	-179.9	-165.9	-174.6	72.6	86.9	0	112.7	K79 E80 N85	K79-R83 WeakPolarHBondContact O-CB 3.46Å; K79-R83 PolarHBondContact O-N 3.28Å; E80-R83 PolarHBondContact O-N 2.84Å; R83-N85 VanDerWaalsContact C-N 3.27Å
84	R	76.9	Confident	69	Low	75 Å²	75	94.1 Å²	94.1	28%	0.283	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.2	175	-67.2	-179.4	-174.1	-132.7	4.1	113.1	E80 A81 T82 L86 D102	E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.9Å; E80-R84 IonicContact OE1-CZ 3.3Å; E80-R84 VanDerWaalsContact OE1-CZ 3.29Å; E80-R84 IonicContact OE1-NE 3.79Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 VanDerWaalsContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.48Å; E80-R84 PolarHBondContact OE1-NH2 3.08Å; A81-R84 PolarHBondContact O-N 2.82Å; T82-R84 PolarHBondContact O-N 2.74Å; R84-L86 HydrophobicContact CB-CD1 3.73Å; R84-L86 HydrophobicContact CB-CD2 4.5Å; R84-L86 HydrophobicContact CB-CG 3.63Å; R84-L86 HydrophobicContact CG-CD1 4.44Å; R84-L86 PolarHBondContact O-N 3.24Å; R84-D102 IonicContact NH1-OD2 2.87Å; R84-D102 PolarHBondContact NH1-OD2 3.4Å
85	N	65.5	Low	67.4	Low	137 Å²	137	95.4 Å²	95.4	73%	0.733	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.9	-172.7	-66.3	-33.7	0	0	0	113.5	A81 T82 R83 I87	A81-N85 PolarHBondContact O-N 2.93Å; T82-N85 WeakPolarHBondContact O-CA 3.48Å; T82-N85 PolarHBondContact O-N 3.48Å; T82-N85 PolarHBondContact O-OD1 3.31Å; R83-N85 VanDerWaalsContact C-N 3.27Å; N85-I87 VanDerWaalsContact C-N 3.28Å
86	L	69.8	Low	65.9	Low	29 Å²	29	93.3 Å²	93.3	15%	0.152	49%	0.486	C	S	.	.			trans	-83	-9.9	178.5	-59.9	173.8	0	0	0	112.4	A81 R84 D102 F105	A81-L86 HydrophobicContact CB-CB 4.43Å; A81-L86 PolarHBondContact O-N 2.93Å; R84-L86 HydrophobicContact CB-CD1 3.73Å; R84-L86 HydrophobicContact CB-CD2 4.5Å; R84-L86 HydrophobicContact CB-CG 3.63Å; R84-L86 HydrophobicContact CG-CD1 4.44Å; R84-L86 PolarHBondContact O-N 3.24Å; L86-D102 HydrophobicContact CD1-CB 4.28Å; L86-D102 HydrophobicContact CD2-CB 3.72Å; L86-F105 HydrophobicContact CD1-CB 3.55Å; L86-F105 HydrophobicContact CD1-CD1 3.34Å; L86-F105 HydrophobicContact CD1-CD2 4.04Å; L86-F105 HydrophobicContact CD1-CE1 4.01Å; L86-F105 HydrophobicContact CD1-CG 3.35Å
87	I	65.8	Low	64.4	Low	92 Å²	92	97.6 Å²	97.6	47%	0.472	50%	0.496	S	S	.	.			trans	-97	103.2	177.9	-48.3	-176.8	0	0	0	107.6	A81 T82 N85	A81-I87 HydrophobicContact CB-CD1 4.06Å; A81-I87 HydrophobicContact CB-CG1 3.9Å; T82-I87 WeakPolarHBondContact OG1-CD1 3.3Å; N85-I87 VanDerWaalsContact C-N 3.28Å
88	T	57.5	Low	62.7	Low	72 Å²	72	106.7 Å²	106.7	44%	0.442	53%	0.529	S	S	.	.			trans	-105	126.1	170	32.7	0	0	0	0	108.4
89	L	54.3	Low	61.2	Low	140 Å²	140	105.2 Å²	105.2	73%	0.733	53%	0.532	S	S	*	.			trans	-78.6	-31.3	177.3	-170.5	69.7	0	0	0	111.1	D20 V91	D20-L89 WeakPolarHBondContact OD2-CD2 3.38Å; L89-V91 PolarHBondContact O-N 3.36Å
90	D	52.1	Low	59.7	Low	134 Å²	134	100.7 Å²	100.7	72%	0.717	52%	0.521	S	S	*	.	S	Bend	trans	-72.3	127.5	-179.6	-70.1	-29.5	0	0	0	110.6	L92	D90-L92 PolarHBondContact O-N 3.42Å
91	V	50.4	Low	58.3	Low	146 Å²	146	103.3 Å²	103.3	89%	0.885	54%	0.537	S	S	*	.			trans	-39.7	113.1	168.7	177.3	0	0	0	0	108	L89 D93	L89-V91 PolarHBondContact O-N 3.36Å; V91-D93 PolarHBondContact O-N 2.66Å
92	L	47.8	Very low	57.3	Low	86 Å²	86	105.3 Å²	105.3	45%	0.45	55%	0.546	S	S	.	.			trans	-51.3	102.6	-168.5	-64.4	152.5	0	0	0	110.7	D90 Y97	D90-L92 PolarHBondContact O-N 3.42Å; L92-Y97 HydrophobicContact CD1-CD2 3.54Å; L92-Y97 HydrophobicContact CD1-CE2 4.15Å; L92-Y97 HydrophobicContact CD2-CD2 4.2Å; L92-Y97 HydrophobicContact CG-CD2 4.3Å
93	D	48.3	Very low	56.7	Low	118 Å²	118	113.1 Å²	113.1	63%	0.631	57%	0.566	S	S	*	*			trans	-61.6	142.2	153.1	-154.3	-2.7	0	0	0	106.9	V91 T95 S96 Y97	V91-D93 PolarHBondContact O-N 2.66Å; D93-T95 PolarHBondContact O-N 2.94Å; D93-S96 WeakPolarHBondContact O-CB 3.44Å; D93-S96 PolarHBondContact O-N 3.43Å; D93-Y97 PolarHBondContact O-N 3.42Å
94	E	50.7	Low	56.4	Low	163 Å²	163	109.7 Å²	109.7	76%	0.762	56%	0.563	S	S	*	*	H	α-helix	trans	-56	-24.9	-168.6	-83.7	-156.7	164.4	0	0	113.3
95	T	50.2	Low	56.3	Low	107 Å²	107	107.5 Å²	107.5	66%	0.656	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-38.3	175.7	54.4	0	0	0	0	112.4	D93 A99	D93-T95 PolarHBondContact O-N 2.94Å; T95-A99 PolarHBondContact O-N 3.34Å
96	S	49.3	Very low	56.9	Low	40 Å²	40	104.4 Å²	104.4	28%	0.28	54%	0.539	S	S	.	.	H	α-helix	trans	-74.5	-34.7	177	-46.6	0	0	0	0	112.6	D93 R98 A99 G100	D93-S96 WeakPolarHBondContact O-CB 3.44Å; D93-S96 PolarHBondContact O-N 3.43Å; S96-R98 PolarHBondContact O-N 2.95Å; S96-A99 WeakPolarHBondContact O-CB 3.47Å; S96-A99 PolarHBondContact O-N 2.83Å; S96-G100 PolarHBondContact O-N 2.94Å
97	Y	50.5	Low	57.3	Low	137 Å²	137	106.2 Å²	106.2	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-58.4	-36.2	175.3	-171.2	-112.6	0	0	0	112.4	L92 D93 L101	L92-Y97 HydrophobicContact CD1-CD2 3.54Å; L92-Y97 HydrophobicContact CD1-CE2 4.15Å; L92-Y97 HydrophobicContact CD2-CD2 4.2Å; L92-Y97 HydrophobicContact CG-CD2 4.3Å; D93-Y97 PolarHBondContact O-N 3.42Å; Y97-L101 HydrophobicContact CD1-CD1 4.09Å; Y97-L101 HydrophobicContact CE1-CD1 3.99Å; Y97-L101 WeakPolarHBondContact O-CD1 3.2Å; Y97-L101 WeakPolarHBondContact O-CG 3.2Å; Y97-L101 PolarHBondContact O-N 3.02Å
98	R	49.7	Very low	58.1	Low	205 Å²	205	106.7 Å²	106.7	77%	0.774	56%	0.559	S	S	*	*	H	α-helix	trans	-76.6	-27.5	173.7	-66.4	-162.7	-179.2	-155.6	2.7	113.6	S96 L101	S96-R98 PolarHBondContact O-N 2.95Å; R98-L101 PolarHBondContact O-N 3.35Å
99	A	49.3	Very low	59.3	Low	75 Å²	75	107.7 Å²	107.7	62%	0.62	56%	0.562	S	S	*	*	H	α-helix	trans	-71.3	-32.4	173.3	0	0	0	0	0	112.4	T95 S96 L101	T95-A99 PolarHBondContact O-N 3.34Å; S96-A99 WeakPolarHBondContact O-CB 3.47Å; S96-A99 PolarHBondContact O-N 2.83Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 2.8Å
100	G	50.2	Low	60.7	Low	31 Å²	31	104 Å²	104	32%	0.32	54%	0.538	S	S	.	.	S	Bend	trans	-74.9	-14.4	174.8	0	0	0	0	0	114.9	S96 D102	S96-G100 PolarHBondContact O-N 2.94Å; G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 3.49Å; G100-D102 VanDerWaalsContact O-N 3.13Å
101	L	52	Low	62.2	Low	102 Å²	102	99.5 Å²	99.5	53%	0.534	51%	0.514	S	S	.	.			trans	-86.6	60.2	175.3	-74	160	0	0	0	110.7	Y97 R98 A99 R103	Y97-L101 HydrophobicContact CD1-CD1 4.09Å; Y97-L101 HydrophobicContact CE1-CD1 3.99Å; Y97-L101 WeakPolarHBondContact O-CD1 3.2Å; Y97-L101 WeakPolarHBondContact O-CG 3.2Å; Y97-L101 PolarHBondContact O-N 3.02Å; R98-L101 PolarHBondContact O-N 3.35Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 2.8Å; L101-R103 PolarHBondContact O-N 3.31Å
102	D	59.1	Low	63.7	Low	50 Å²	50	94.8 Å²	94.8	27%	0.267	49%	0.49	S	S	.	.			trans	-61.9	106.3	161.2	178.6	7.3	0	0	0	107.4	R84 L86 G100 N104 F105	R84-D102 IonicContact NH1-OD2 2.87Å; R84-D102 PolarHBondContact NH1-OD2 3.4Å; L86-D102 HydrophobicContact CD1-CB 4.28Å; L86-D102 HydrophobicContact CD2-CB 3.72Å; G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 3.49Å; G100-D102 VanDerWaalsContact O-N 3.13Å; D102-N104 PolarHBondContact O-N 3.1Å; D102-N104 WeakPolarHBondContact OD1-CB 3.27Å; D102-N104 PolarHBondContact OD1-N 2.85Å; D102-F105 HydrophobicContact CB-CB 4.12Å; D102-F105 PolarHBondContact O-N 2.82Å
103	R	65	Low	65.4	Low	244 Å²	244	94.6 Å²	94.6	92%	0.921	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.4	177.8	-69	-177.2	178.3	-169.4	-0.9	112.4	L101	L101-R103 PolarHBondContact O-N 3.31Å
104	N	69.7	Low	67.1	Low	121 Å²	121	91.3 Å²	91.3	65%	0.647	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.1	178.9	-63.5	-27.8	0	0	0	114.7	D102 R110	D102-N104 PolarHBondContact O-N 3.1Å; D102-N104 WeakPolarHBondContact OD1-CB 3.27Å; D102-N104 PolarHBondContact OD1-N 2.85Å; N104-R110 PolarHBondContact O-NH2 3.4Å
105	F	75.3	Confident	68.5	Low	28 Å²	28	86.5 Å²	86.5	12%	0.123	45%	0.445	C	S	.	.			trans	-119.3	87.5	177.3	-168.3	-94.8	0	0	0	111.2	I77 E80 A81 L86 D102 P107 R110	I77-F105 HydrophobicContact CG2-CE1 4.38Å; I77-F105 HydrophobicContact CG2-CZ 3.77Å; E80-F105 HydrophobicContact CB-CE2 4.12Å; E80-F105 HydrophobicContact CG-CE2 3.84Å; A81-F105 HydrophobicContact CB-CE1 3.78Å; A81-F105 HydrophobicContact CB-CZ 3.68Å; L86-F105 HydrophobicContact CD1-CB 3.55Å; L86-F105 HydrophobicContact CD1-CD1 3.34Å; L86-F105 HydrophobicContact CD1-CD2 4.04Å; L86-F105 HydrophobicContact CD1-CE1 4.01Å; L86-F105 HydrophobicContact CD1-CG 3.35Å; D102-F105 HydrophobicContact CB-CB 4.12Å; D102-F105 PolarHBondContact O-N 2.82Å; F105-P107 HydrophobicContact CE1-CB 4.32Å; F105-R110 HydrophobicContact CD2-CG 4.41Å; F105-R110 HydrophobicContact CE2-CG 4.21Å
106	N	78.8	Confident	69.9	Low	73 Å²	73	89.2 Å²	89.2	39%	0.39	45%	0.452	S	S	.	.			trans	-97.4	113.2	166.5	-178	-29.9	0	0	0	109	V108 N109 R110	N106-V108 VanDerWaalsContact C-N 3.28Å; N106-V108 PolarHBondContact O-N 3.45Å; N106-V108 WeakPolarHBondContact OD1-CB 3.35Å; N106-V108 PolarHBondContact OD1-N 3.21Å; N106-N109 HydrophobicContact CB-CB 4.12Å; N106-N109 PolarHBondContact O-N 3.29Å; N106-N109 PolarHBondContact OD1-N 3.42Å; N106-R110 WeakPolarHBondContact O-CG 3.43Å; N106-R110 PolarHBondContact O-N 3.45Å
107	P	78.3	Confident	71.3	Confident	66 Å²	66	97.3 Å²	97.3	43%	0.429	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-31.5	-175	24.2	-33	0	0	0	113	I77 F105 R110 L111	I77-P107 HydrophobicContact CG2-CB 3.98Å; F105-P107 HydrophobicContact CE1-CB 4.32Å; P107-R110 PolarHBondContact O-N 3.43Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 3.5Å
108	V	81	Confident	72.5	Confident	102 Å²	102	92.9 Å²	92.9	62%	0.618	46%	0.462	S	S	*	.	H	α-helix	trans	-69	-43.7	178	-179.7	0	0	0	0	110.7	N106 R110 L111 A112	N106-V108 VanDerWaalsContact C-N 3.28Å; N106-V108 PolarHBondContact O-N 3.45Å; N106-V108 WeakPolarHBondContact OD1-CB 3.35Å; N106-V108 PolarHBondContact OD1-N 3.21Å; V108-R110 VanDerWaalsContact C-N 3.31Å; V108-R110 PolarHBondContact O-N 2.94Å; V108-L111 PolarHBondContact O-N 2.9Å; V108-A112 PolarHBondContact O-N 3.14Å
109	N	84.2	Confident	73.3	Confident	94 Å²	94	86.6 Å²	86.6	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-38.4	176.3	-69.3	-4.9	0	0	0	111.2	N106 A112 E113	N106-N109 HydrophobicContact CB-CB 4.12Å; N106-N109 PolarHBondContact O-N 3.29Å; N106-N109 PolarHBondContact OD1-N 3.42Å; N109-A112 PolarHBondContact O-N 3.5Å; N109-E113 WeakPolarHBondContact O-CB 3Å; N109-E113 WeakPolarHBondContact O-CG 3.43Å; N109-E113 PolarHBondContact O-N 3.25Å
110	R	82.7	Confident	74	Confident	63 Å²	63	86.6 Å²	86.6	24%	0.238	43%	0.431	C	S	.	.	H	α-helix	trans	-66.5	-37.2	175.5	-66.9	-66	179.7	-149.4	-5.6	112.3	I77 E80 N104 F105 N106 P107 V108 E113 Y114	I77-R110 HydrophobicContact CD1-CB 4.43Å; I77-R110 HydrophobicContact CG1-CB 4.02Å; E80-R110 IonicContact OE1-NE 2.83Å; N104-R110 PolarHBondContact O-NH2 3.4Å; F105-R110 HydrophobicContact CD2-CG 4.41Å; F105-R110 HydrophobicContact CE2-CG 4.21Å; N106-R110 WeakPolarHBondContact O-CG 3.43Å; N106-R110 PolarHBondContact O-N 3.45Å; P107-R110 PolarHBondContact O-N 3.43Å; V108-R110 VanDerWaalsContact C-N 3.31Å; V108-R110 PolarHBondContact O-N 2.94Å; R110-E113 IonicContact CZ-OE2 3.29Å; R110-E113 IonicContact NH1-OE1 3.12Å; R110-E113 PolarHBondContact NH1-OE1 3.13Å; R110-E113 IonicContact NH1-OE2 2.68Å; R110-E113 PolarHBondContact NH1-OE2 2.72Å; R110-E113 PolarHBondContact O-N 2.87Å; R110-Y114 WeakPolarHBondContact O-CB 3.23Å; R110-Y114 PolarHBondContact O-N 2.77Å
111	L	84.3	Confident	74.6	Confident	39 Å²	39	92.7 Å²	92.7	20%	0.204	45%	0.449	C	S	.	.	H	α-helix	trans	-63.9	-46.5	172.8	-171.9	60.7	0	0	0	111.5	L74 I77 P107 V108 E113 Y114 L115	L74-L111 HydrophobicContact CD2-CD1 4.4Å; L74-L111 HydrophobicContact CD2-CD2 4.21Å; L74-L111 HydrophobicContact CG-CD1 4.37Å; I77-L111 HydrophobicContact CD1-CB 3.41Å; I77-L111 VanDerWaalsContact CD1-CB 3.41Å; I77-L111 HydrophobicContact CD1-CD1 3.64Å; I77-L111 HydrophobicContact CD1-CG 4.08Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 3.5Å; V108-L111 PolarHBondContact O-N 2.9Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 2.91Å; L111-Y114 PolarHBondContact O-N 2.94Å; L111-L115 HydrophobicContact CD1-CD1 4.24Å; L111-L115 HydrophobicContact CD1-CG 4.25Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 HydrophobicContact CG-CG 4.38Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.92Å
112	A	81.5	Confident	74.9	Confident	47 Å²	47	94.6 Å²	94.6	39%	0.388	46%	0.455	S	S	.	.	H	α-helix	trans	-59.7	-45.3	175.4	0	0	0	0	0	111.5	V108 N109 Y114 L115 M116	V108-A112 PolarHBondContact O-N 3.14Å; N109-A112 PolarHBondContact O-N 3.5Å; A112-Y114 PolarHBondContact O-N 3.28Å; A112-L115 PolarHBondContact O-N 2.87Å; A112-M116 WeakPolarHBondContact O-CB 3.33Å; A112-M116 VanDerWaalsContact O-CG 3.29Å; A112-M116 WeakPolarHBondContact O-CG 3.48Å; A112-M116 PolarHBondContact O-N 2.98Å
113	E	84.1	Confident	74.8	Confident	81 Å²	81	95.3 Å²	95.3	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-59.5	-43.5	174.3	-77.6	177.6	-176.1	0	0	112.1	N109 R110 L111 M116 R117	N109-E113 WeakPolarHBondContact O-CB 3Å; N109-E113 WeakPolarHBondContact O-CG 3.43Å; N109-E113 PolarHBondContact O-N 3.25Å; R110-E113 IonicContact CZ-OE2 3.29Å; R110-E113 IonicContact NH1-OE1 3.12Å; R110-E113 PolarHBondContact NH1-OE1 3.13Å; R110-E113 IonicContact NH1-OE2 2.68Å; R110-E113 PolarHBondContact NH1-OE2 2.72Å; R110-E113 PolarHBondContact O-N 2.87Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 2.91Å; E113-M116 PolarHBondContact O-N 3.38Å; E113-R117 WeakPolarHBondContact O-CB 3.44Å; E113-R117 VanDerWaalsContact O-CG 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 2.81Å
114	Y	84.1	Confident	74.4	Confident	49 Å²	49	92.4 Å²	92.4	19%	0.192	46%	0.455	C	S	.	.	H	α-helix	trans	-64.2	-46.8	178.6	-175.4	-83	0	0	0	111.5	L72 S76 R110 L111 A112 R117 N118	L72-Y114 HydrophobicContact CB-CE1 4.45Å; S76-Y114 VanDerWaalsContact CB-CE2 3.49Å; R110-Y114 WeakPolarHBondContact O-CB 3.23Å; R110-Y114 PolarHBondContact O-N 2.77Å; L111-Y114 PolarHBondContact O-N 2.94Å; A112-Y114 PolarHBondContact O-N 3.28Å; Y114-R117 PolarHBondContact O-N 2.9Å; Y114-N118 HydrophobicContact CD1-CB 4.39Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.49Å; Y114-N118 HydrophobicContact CE1-CB 4.1Å; Y114-N118 VanDerWaalsContact CE1-ND2 3.25Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.44Å; Y114-N118 VanDerWaalsContact CE2-ND2 3.35Å; Y114-N118 WeakPolarHBondContact CE2-ND2 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.42Å; Y114-N118 PolarHBondContact O-N 2.85Å; Y114-N118 PolarHBondContact O-ND2 2.87Å
115	L	79	Confident	74	Confident	63 Å²	63	89 Å²	89	33%	0.33	44%	0.435	S	S	.	.	H	α-helix	trans	-67.4	-35.8	179.3	-68.4	174.5	0	0	0	111.8	Q69 V70 L111 A112 N118	Q69-L115 HydrophobicContact CB-CD2 3.99Å; Q69-L115 HydrophobicContact CG-CD2 4.18Å; V70-L115 HydrophobicContact CG2-CD1 4.34Å; V70-L115 HydrophobicContact CG2-CD2 4.15Å; L111-L115 HydrophobicContact CD1-CD1 4.24Å; L111-L115 HydrophobicContact CD1-CG 4.25Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 HydrophobicContact CG-CG 4.38Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.92Å; A112-L115 PolarHBondContact O-N 2.87Å; L115-N118 CarbonylContact O-C 3.21Å
116	M	80	Confident	73.3	Confident	164 Å²	164	93.8 Å²	93.8	81%	0.808	46%	0.461	S	S	*	.	H	α-helix	trans	-65.5	-38	173	-79	-179.4	66.2	0	0	112.3	A112 E113	A112-M116 WeakPolarHBondContact O-CB 3.33Å; A112-M116 VanDerWaalsContact O-CG 3.29Å; A112-M116 WeakPolarHBondContact O-CG 3.48Å; A112-M116 PolarHBondContact O-N 2.98Å; E113-M116 PolarHBondContact O-N 3.38Å
117	R	78.4	Confident	72.2	Confident	210 Å²	210	96.6 Å²	96.6	79%	0.792	47%	0.472	S	S	*	.	H	α-helix	trans	-76.5	-32.1	178.1	-72	178.1	-178.2	-141.2	2	112.8	E113 Y114	E113-R117 WeakPolarHBondContact O-CB 3.44Å; E113-R117 VanDerWaalsContact O-CG 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 2.81Å; Y114-R117 PolarHBondContact O-N 2.9Å
118	N	75.2	Confident	71.2	Confident	43 Å²	43	98.4 Å²	98.4	23%	0.23	49%	0.486	C	S	.	.	S	Bend	trans	-107.2	75.9	-178.5	-65.5	-69	0	0	0	110.9	Q69 Y114 L115 H120	Q69-N118 PolarHBondContact NE2-O 3.22Å; Y114-N118 HydrophobicContact CD1-CB 4.39Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.49Å; Y114-N118 HydrophobicContact CE1-CB 4.1Å; Y114-N118 VanDerWaalsContact CE1-ND2 3.25Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.44Å; Y114-N118 VanDerWaalsContact CE2-ND2 3.35Å; Y114-N118 WeakPolarHBondContact CE2-ND2 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.42Å; Y114-N118 PolarHBondContact O-N 2.85Å; Y114-N118 PolarHBondContact O-ND2 2.87Å; L115-N118 CarbonylContact O-C 3.21Å; N118-H120 PolarHBondContact O-N 3.41Å
119	N	67.8	Low	70.5	Confident	74 Å²	74	95.7 Å²	95.7	40%	0.396	47%	0.472	S	S	.	.			trans	-59.2	130.3	179.2	-169.7	-6	0	0	0	111.9	Q69 K121 H122	Q69-N119 PolarHBondContact NE2-O 2.88Å; N119-K121 PolarHBondContact O-N 2.95Å; N119-K121 PolarHBondContact OD1-N 3.13Å; N119-H122 PolarHBondContact O-N 2.72Å
120	H	63.8	Low	69.7	Low	74 Å²	74	94 Å²	94	34%	0.343	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-55.7	-34.7	-179.2	59.2	-81.1	0	0	0	114.3	N65 Q69 N118 H122	N65-H120 VanDerWaalsContact O-CB 3.23Å; N65-H120 WeakPolarHBondContact O-CB 3.35Å; Q69-H120 VanDerWaalsContact CD-CA 3.44Å; Q69-H120 VanDerWaalsContact OE1-CA 3.23Å; N118-H120 PolarHBondContact O-N 3.41Å; H120-H122 PolarHBondContact O-N 3.28Å
121	K	62.2	Low	69.1	Low	159 Å²	159	94.3 Å²	94.3	69%	0.691	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-69.3	-15.4	-177.8	-60.1	-169.6	177.1	-178.2	0	114.9	N119	N119-K121 PolarHBondContact O-N 2.95Å; N119-K121 PolarHBondContact OD1-N 3.13Å
122	H	59.2	Low	68.4	Low	142 Å²	142	93.1 Å²	93.1	66%	0.657	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-122.7	-4	-170	-70.1	-55.2	0	0	0	115.5	N119 H120 H124	N119-H122 PolarHBondContact O-N 2.72Å; H120-H122 PolarHBondContact O-N 3.28Å; H122-H124 PolarHBondContact O-N 3.03Å
123	N	57.2	Low	67.9	Low	65 Å²	65	97.2 Å²	97.2	35%	0.348	47%	0.468	S	S	.	.			trans	-88.5	112.6	176.2	-98.4	-8.1	0	0	0	111.1	F125	N123-F125 PolarHBondContact O-N 2.87Å
124	H	55.8	Low	67.3	Low	183 Å²	183	93.4 Å²	93.4	85%	0.847	45%	0.45	S	S	*	.			trans	-81.7	102.4	169.1	-62.3	87	0	0	0	108.1	H122	H122-H124 PolarHBondContact O-N 3.03Å
125	F	61.1	Low	67	Low	50 Å²	50	91.4 Å²	91.4	22%	0.219	44%	0.442	C	S	.	.			trans	-62.9	139.6	172.6	-60.5	-82	0	0	0	109.9	P68 L72 N123 E127 V132	P68-F125 HydrophobicContact CB-CD1 4.05Å; P68-F125 HydrophobicContact CB-CD2 4.09Å; P68-F125 HydrophobicContact CB-CE1 3.42Å; P68-F125 VanDerWaalsContact CB-CE1 3.42Å; P68-F125 HydrophobicContact CB-CE2 3.48Å; P68-F125 VanDerWaalsContact CB-CE2 3.48Å; P68-F125 HydrophobicContact CB-CG 4.37Å; P68-F125 HydrophobicContact CB-CZ 3.13Å; P68-F125 HydrophobicContact CG-CE2 4.33Å; P68-F125 HydrophobicContact CG-CZ 4.36Å; L72-F125 HydrophobicContact CD1-CD1 4.02Å; L72-F125 HydrophobicContact CD1-CE1 3.65Å; N123-F125 PolarHBondContact O-N 2.87Å; F125-E127 PolarHBondContact O-N 3.26Å; F125-V132 HydrophobicContact CB-CG1 4.18Å; F125-V132 HydrophobicContact CB-CG2 4Å; F125-V132 HydrophobicContact CG-CG2 4.49Å
126	N	60.8	Low	66.8	Low	128 Å²	128	94.6 Å²	94.6	68%	0.684	45%	0.45	S	S	*	.			trans	-68.2	119	176	-148.2	8.1	0	0	0	108.7	S128 S129	N126-S128 PolarHBondContact O-N 2.9Å; N126-S129 PolarHBondContact O-N 2.85Å
127	E	56.5	Low	66.6	Low	132 Å²	132	92.4 Å²	92.4	62%	0.617	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.3	-174.6	-66.4	-167	144.2	0	0	113.2	F125 S129 R136	F125-E127 PolarHBondContact O-N 3.26Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.83Å; E127-R136 IonicContact OE1-CZ 3.94Å; E127-R136 IonicContact OE1-NH1 3.73Å; E127-R136 PolarHBondContact OE1-NH1 3.2Å; E127-R136 IonicContact OE1-NH2 3.77Å; E127-R136 PolarHBondContact OE1-NH2 3.24Å
128	S	57.6	Low	66.4	Low	104 Å²	104	82.5 Å²	82.5	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.9	-179.6	-45.7	0	0	0	0	114.7	N126	N126-S128 PolarHBondContact O-N 2.9Å
129	S	66	Low	66.7	Low	45 Å²	45	81.4 Å²	81.4	32%	0.315	39%	0.39	S	S	.	.			trans	-73.4	125	179.8	177	0	0	0	0	110.6	N126 E127 Y131 V132 R133	N126-S129 PolarHBondContact O-N 2.85Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.83Å; S129-Y131 PolarHBondContact O-N 2.88Å; S129-V132 PolarHBondContact O-N 2.82Å; S129-R133 PolarHBondContact O-N 2.88Å
130	P	65.8	Low	67.2	Low	60 Å²	60	80.4 Å²	80.4	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-27.6	179.9	25.7	-33.7	0	0	0	112.6	I41 R133 G134	I41-P130 HydrophobicContact CB-CB 4.49Å; I41-P130 HydrophobicContact CD1-CB 3.55Å; I41-P130 HydrophobicContact CD1-CG 3.87Å; I41-P130 HydrophobicContact CG2-CB 4.41Å; I41-P130 WeakPolarHBondContact CG2-O 3.33Å; P130-R133 PolarHBondContact O-N 3.42Å; P130-G134 PolarHBondContact O-N 2.88Å
131	Y	70.3	Confident	68	Low	68 Å²	68	81.1 Å²	81.1	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-46.8	171	170.7	-105.1	0	0	0	111.7	L67 V71 S129 R133 G134 L135	L67-Y131 PolarHBondContact O-OH 3.39Å; V71-Y131 HydrophobicContact CB-CE1 4.36Å; V71-Y131 HydrophobicContact CG1-CE1 4.46Å; V71-Y131 HydrophobicContact CG2-CE2 4.49Å; V71-Y131 WeakPolarHBondContact CG2-OH 2.93Å; S129-Y131 PolarHBondContact O-N 2.88Å; Y131-R133 VanDerWaalsContact C-N 3.33Å; Y131-R133 PolarHBondContact O-N 3.22Å; Y131-G134 PolarHBondContact O-N 3.09Å; Y131-L135 HydrophobicContact CD1-CD1 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CG 4.32Å; Y131-L135 HydrophobicContact CE2-CD1 4.11Å; Y131-L135 HydrophobicContact CE2-CD2 4.44Å; Y131-L135 HydrophobicContact CE2-CG 4.2Å; Y131-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.49Å; Y131-L135 PolarHBondContact O-N 2.63Å
132	V	69.4	Low	68.7	Low	15 Å²	15	73.8 Å²	73.8	9%	0.091	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-39.2	179	177.6	0	0	0	0	110.6	F125 S129 L135 R136	F125-V132 HydrophobicContact CB-CG1 4.18Å; F125-V132 HydrophobicContact CB-CG2 4Å; F125-V132 HydrophobicContact CG-CG2 4.49Å; S129-V132 PolarHBondContact O-N 2.82Å; V132-L135 PolarHBondContact O-N 3.21Å; V132-R136 WeakPolarHBondContact O-CB 3.4Å; V132-R136 WeakPolarHBondContact O-CG 3.49Å; V132-R136 PolarHBondContact O-N 3.03Å
133	R	71.8	Confident	69.8	Low	133 Å²	133	72.1 Å²	72.1	50%	0.502	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-46.1	173.3	-169.1	-171.8	70.7	177.2	2.2	111.6	D42 S129 P130 Y131 R136 Y137	D42-R133 IonicContact OD1-CZ 2.73Å; D42-R133 IonicContact OD1-NE 3.76Å; D42-R133 PolarHBondContact OD1-NE 3.43Å; D42-R133 IonicContact OD1-NH2 3.49Å; D42-R133 PolarHBondContact OD1-NH2 3.11Å; D42-R133 IonicContact OD2-CZ 2.69Å; D42-R133 IonicContact OD2-NE 2.63Å; D42-R133 PolarHBondContact OD2-NE 3.42Å; D42-R133 IonicContact OD2-NH2 3.09Å; D42-R133 PolarHBondContact OD2-NH2 3.38Å; S129-R133 PolarHBondContact O-N 2.88Å; P130-R133 PolarHBondContact O-N 3.42Å; Y131-R133 VanDerWaalsContact C-N 3.33Å; Y131-R133 PolarHBondContact O-N 3.22Å; R133-R136 PolarHBondContact O-N 2.93Å; R133-Y137 WeakPolarHBondContact O-CB 3.36Å; R133-Y137 PolarHBondContact O-N 2.77Å
134	G	72.5	Confident	70.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-41.1	178.3	0	0	0	0	0	113.2	D42 P130 Y131 Y137 T138	D42-G134 WeakPolarHBondContact OD1-CA 3.25Å; D42-G134 PolarHBondContact OD1-N 2.84Å; P130-G134 PolarHBondContact O-N 2.88Å; Y131-G134 PolarHBondContact O-N 3.09Å; G134-Y137 PolarHBondContact O-N 3.18Å; G134-T138 WeakPolarHBondContact O-CB 3.41Å; G134-T138 PolarHBondContact O-N 3.14Å; G134-T138 PolarHBondContact O-OG1 3.3Å
135	L	76.2	Confident	71.7	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.037	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-44.8	172.3	-72.9	-176.2	0	0	0	112.3	L49 I63 P68 Y131 V132 T138 L139	L49-L135 HydrophobicContact CD1-CD2 3.87Å; I63-L135 HydrophobicContact CG2-CB 4.01Å; I63-L135 HydrophobicContact CG2-CD2 4.17Å; I63-L135 WeakPolarHBondContact CG2-O 3.38Å; P68-L135 HydrophobicContact CG-CD1 3.76Å; Y131-L135 HydrophobicContact CD1-CD1 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CG 4.32Å; Y131-L135 HydrophobicContact CE2-CD1 4.11Å; Y131-L135 HydrophobicContact CE2-CD2 4.44Å; Y131-L135 HydrophobicContact CE2-CG 4.2Å; Y131-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.49Å; Y131-L135 PolarHBondContact O-N 2.63Å; V132-L135 PolarHBondContact O-N 3.21Å; L135-T138 WeakPolarHBondContact O-CB 3.33Å; L135-T138 PolarHBondContact O-N 3.44Å; L135-L139 WeakPolarHBondContact O-CB 3.47Å; L135-L139 PolarHBondContact O-N 3.15Å
136	R	75	Confident	72.5	Confident	131 Å²	131	68.2 Å²	68.2	49%	0.494	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-39.1	178	-77.9	-167.7	178.5	178.8	4.2	112.8	E127 V132 R133 T138 L139 A140	E127-R136 IonicContact OE1-CZ 3.94Å; E127-R136 IonicContact OE1-NH1 3.73Å; E127-R136 PolarHBondContact OE1-NH1 3.2Å; E127-R136 IonicContact OE1-NH2 3.77Å; E127-R136 PolarHBondContact OE1-NH2 3.24Å; V132-R136 WeakPolarHBondContact O-CB 3.4Å; V132-R136 WeakPolarHBondContact O-CG 3.49Å; V132-R136 PolarHBondContact O-N 3.03Å; R133-R136 PolarHBondContact O-N 2.93Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.48Å; R136-L139 PolarHBondContact O-N 2.69Å; R136-A140 WeakPolarHBondContact O-CB 3.2Å; R136-A140 PolarHBondContact O-N 2.99Å
137	Y	75.6	Confident	73.3	Confident	117 Å²	117	65 Å²	65	46%	0.459	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-45.5	172.6	173.8	-101.9	0	0	0	110.9	D42 M46 R133 G134 L139 A140 K141	D42-Y137 HydrophobicContact CB-CD1 3.72Å; D42-Y137 HydrophobicContact CB-CE1 4.29Å; D42-Y137 HydrophobicContact CB-CG 4.02Å; M46-Y137 HydrophobicContact CG-CD1 4.07Å; M46-Y137 HydrophobicContact CG-CE1 3.89Å; M46-Y137 HydrophobicContact SD-CD1 4.48Å; M46-Y137 HydrophobicContact SD-CE1 4.37Å; R133-Y137 WeakPolarHBondContact O-CB 3.36Å; R133-Y137 PolarHBondContact O-N 2.77Å; G134-Y137 PolarHBondContact O-N 3.18Å; Y137-L139 PolarHBondContact O-N 2.7Å; Y137-A140 PolarHBondContact O-N 3.37Å; Y137-K141 WeakPolarHBondContact O-CB 3.46Å; Y137-K141 PolarHBondContact O-N 3.2Å
138	T	75.3	Confident	74.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-43.5	176.1	-52	0	0	0	0	111.3	M46 L49 I63 G134 L135 R136 K141 L142	M46-T138 HydrophobicContact CG-CG2 4.4Å; M46-T138 HydrophobicContact SD-CG2 3.58Å; M46-T138 VanDerWaalsContact SD-CG2 3.58Å; L49-T138 HydrophobicContact CB-CG2 4.21Å; L49-T138 HydrophobicContact CD1-CG2 3.84Å; I63-T138 HydrophobicContact CD1-CG2 3.8Å; G134-T138 WeakPolarHBondContact O-CB 3.41Å; G134-T138 PolarHBondContact O-N 3.14Å; G134-T138 PolarHBondContact O-OG1 3.3Å; L135-T138 WeakPolarHBondContact O-CB 3.33Å; L135-T138 PolarHBondContact O-N 3.44Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.48Å; T138-K141 PolarHBondContact O-N 2.92Å; T138-L142 HydrophobicContact CG2-CD1 4.21Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.15Å
139	L	81.1	Confident	74.9	Confident	20 Å²	20	62.5 Å²	62.5	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-47.8	175.6	-178.3	64.5	0	0	0	112	A60 I63 D64 L135 R136 Y137 K141 L142 Q143	A60-L139 HydrophobicContact CB-CD1 4.01Å; I63-L139 HydrophobicContact CG2-CB 4.07Å; D64-L139 HydrophobicContact CB-CD1 4.18Å; D64-L139 HydrophobicContact CB-CD2 4.18Å; L135-L139 WeakPolarHBondContact O-CB 3.47Å; L135-L139 PolarHBondContact O-N 3.15Å; R136-L139 PolarHBondContact O-N 2.69Å; Y137-L139 PolarHBondContact O-N 2.7Å; L139-K141 VanDerWaalsContact C-N 3.25Å; L139-K141 PolarHBondContact O-N 2.89Å; L139-L142 PolarHBondContact O-N 2.93Å; L139-Q143 HydrophobicContact CD1-CG 4.45Å; L139-Q143 HydrophobicContact CG-CG 4.47Å; L139-Q143 WeakPolarHBondContact O-CB 3.27Å; L139-Q143 VanDerWaalsContact O-CG 3.29Å; L139-Q143 WeakPolarHBondContact O-CG 3.15Å; L139-Q143 PolarHBondContact O-N 3.35Å
140	A	79.2	Confident	75.3	Confident	53 Å²	53	63.1 Å²	63.1	44%	0.438	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-36.9	178.5	0	0	0	0	0	111.7	R136 Y137 Q143 N144	R136-A140 WeakPolarHBondContact O-CB 3.2Å; R136-A140 PolarHBondContact O-N 2.99Å; Y137-A140 PolarHBondContact O-N 3.37Å; A140-Q143 PolarHBondContact O-N 2.96Å; A140-N144 WeakPolarHBondContact O-CB 3.49Å; A140-N144 PolarHBondContact O-N 2.81Å
141	K	79	Confident	75.5	Confident	89 Å²	89	62.2 Å²	62.2	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-69.5	-44.4	176.4	-165.9	161.8	168.5	-171.5	0	111.8	M46 Y137 T138 L139 Q143 N144 E145	M46-K141 HydrophobicContact CE-CD 3.63Å; M46-K141 HydrophobicContact CE-CG 4.26Å; M46-K141 HydrophobicContact SD-CB 4.15Å; M46-K141 HydrophobicContact SD-CD 3.73Å; M46-K141 HydrophobicContact SD-CG 4.35Å; Y137-K141 WeakPolarHBondContact O-CB 3.46Å; Y137-K141 PolarHBondContact O-N 3.2Å; T138-K141 PolarHBondContact O-N 2.92Å; L139-K141 VanDerWaalsContact C-N 3.25Å; L139-K141 PolarHBondContact O-N 2.89Å; K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 3.48Å; K141-N144 PolarHBondContact O-N 2.81Å; K141-E145 PolarHBondContact O-N 2.76Å
142	L	78.3	Confident	76	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-40.6	172.7	-69.9	169.4	0	0	0	111.6	I56 R59 A60 I63 T138 L139 N144 E145 M146	I56-L142 HydrophobicContact CG2-CB 4.4Å; I56-L142 HydrophobicContact CG2-CD2 4.1Å; R59-L142 HydrophobicContact CB-CD1 4.27Å; A60-L142 HydrophobicContact CB-CD1 4.49Å; I63-L142 HydrophobicContact CD1-CD1 3.33Å; T138-L142 HydrophobicContact CG2-CD1 4.21Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.15Å; L139-L142 PolarHBondContact O-N 2.93Å; L142-N144 PolarHBondContact O-N 3.28Å; L142-E145 WeakPolarHBondContact O-CB 3.48Å; L142-E145 PolarHBondContact O-N 3.28Å; L142-M146 VanDerWaalsContact O-CG 3.23Å; L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.1Å
143	Q	81.6	Confident	76.3	Confident	107 Å²	107	71 Å²	71	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-39.3	174.6	-75.7	175.8	-8.7	0	0	112.3	L139 A140 K141 M146 F147	L139-Q143 HydrophobicContact CD1-CG 4.45Å; L139-Q143 HydrophobicContact CG-CG 4.47Å; L139-Q143 WeakPolarHBondContact O-CB 3.27Å; L139-Q143 VanDerWaalsContact O-CG 3.29Å; L139-Q143 WeakPolarHBondContact O-CG 3.15Å; L139-Q143 PolarHBondContact O-N 3.35Å; A140-Q143 PolarHBondContact O-N 2.96Å; K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 3.48Å; Q143-M146 PolarHBondContact O-N 3.17Å; Q143-F147 WeakPolarHBondContact O-CB 3.32Å; Q143-F147 PolarHBondContact O-N 3.15Å
144	N	77.3	Confident	76.6	Confident	68 Å²	68	70.3 Å²	70.3	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-67.5	-38.5	173.5	-174.4	49.5	0	0	0	111.2	A140 K141 L142 F147 M148 K158	A140-N144 WeakPolarHBondContact O-CB 3.49Å; A140-N144 PolarHBondContact O-N 2.81Å; K141-N144 PolarHBondContact O-N 2.81Å; L142-N144 PolarHBondContact O-N 3.28Å; N144-F147 WeakPolarHBondContact O-CB 3.27Å; N144-F147 PolarHBondContact O-N 2.85Å; N144-M148 VanDerWaalsContact O-CG 3.25Å; N144-M148 WeakPolarHBondContact O-CG 2.79Å; N144-M148 PolarHBondContact O-N 3.16Å; N144-K158 PolarHBondContact OD1-NZ 2.95Å
145	E	76.5	Confident	76.8	Confident	79 Å²	79	70.4 Å²	70.4	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-44.3	171.6	-76.4	-176.3	177.1	0	0	111.7	K141 L142 F147 M148 Q149	K141-E145 PolarHBondContact O-N 2.76Å; L142-E145 WeakPolarHBondContact O-CB 3.48Å; L142-E145 PolarHBondContact O-N 3.28Å; E145-F147 VanDerWaalsContact C-N 3.33Å; E145-F147 PolarHBondContact O-N 2.96Å; E145-M148 PolarHBondContact O-N 3.05Å; E145-Q149 WeakPolarHBondContact O-CB 3.3Å; E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.3Å
146	M	76.8	Confident	77	Confident	68 Å²	68	76.6 Å²	76.6	34%	0.335	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-43.5	173.4	-68.5	171.1	69	0	0	111.4	I56 E57 A60 L142 Q143 M148 Q149 S150	I56-M146 HydrophobicContact CG2-CG 3.47Å; I56-M146 VanDerWaalsContact CG2-CG 3.47Å; I56-M146 HydrophobicContact CG2-SD 4.11Å; E57-M146 HydrophobicContact CG-CE 4.23Å; A60-M146 HydrophobicContact CB-SD 4.3Å; L142-M146 VanDerWaalsContact O-CG 3.23Å; L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.1Å; Q143-M146 PolarHBondContact O-N 3.17Å; M146-M148 PolarHBondContact O-N 3.35Å; M146-Q149 PolarHBondContact O-N 3.16Å; M146-S150 PolarHBondContact O-N 3.04Å
147	F	78.4	Confident	77.2	Confident	61 Å²	61	74.9 Å²	74.9	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-44.2	175.8	174.2	-98.1	0	0	0	111.5	Q143 N144 E145 Q149 S150 L154 A155 K158	Q143-F147 WeakPolarHBondContact O-CB 3.32Å; Q143-F147 PolarHBondContact O-N 3.15Å; N144-F147 WeakPolarHBondContact O-CB 3.27Å; N144-F147 PolarHBondContact O-N 2.85Å; E145-F147 VanDerWaalsContact C-N 3.33Å; E145-F147 PolarHBondContact O-N 2.96Å; F147-Q149 VanDerWaalsContact C-N 3.33Å; F147-Q149 PolarHBondContact O-N 2.87Å; F147-S150 WeakPolarHBondContact O-CB 3.44Å; F147-S150 PolarHBondContact O-N 2.81Å; F147-S150 PolarHBondContact O-OG 3.14Å; F147-L154 HydrophobicContact CE2-CD2 4.24Å; F147-L154 HydrophobicContact CZ-CB 4.03Å; F147-L154 HydrophobicContact CZ-CD2 3.87Å; F147-L154 HydrophobicContact CZ-CG 3.92Å; F147-A155 HydrophobicContact CD1-CB 4.28Å; F147-A155 HydrophobicContact CE1-CB 3.86Å; F147-A155 HydrophobicContact CZ-CB 4.09Å; F147-A155 WeakPolarHBondContact O-CB 3.12Å; F147-K158 HydrophobicContact CE1-CD 4.05Å
148	M	72	Confident	77.5	Confident	56 Å²	56	73.3 Å²	73.3	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-35.8	176.9	-67.8	-60.4	-176.6	0	0	112.2	N144 E145 M146 K158	N144-M148 VanDerWaalsContact O-CG 3.25Å; N144-M148 WeakPolarHBondContact O-CG 2.79Å; N144-M148 PolarHBondContact O-N 3.16Å; E145-M148 PolarHBondContact O-N 3.05Å; M146-M148 PolarHBondContact O-N 3.35Å; M148-K158 HydrophobicContact CE-CB 4.4Å; M148-K158 HydrophobicContact CE-CD 3.47Å; M148-K158 VanDerWaalsContact CE-CD 3.47Å; M148-K158 HydrophobicContact CE-CG 3.84Å
149	Q	74.4	Confident	77.6	Confident	127 Å²	127	75.9 Å²	75.9	59%	0.593	40%	0.399	S	S	*	.	H	α-helix	trans	-76.3	-21	176.7	-72.5	-176.7	5.2	0	0	113.9	I56 E145 M146 F147 G151	I56-Q149 VanDerWaalsContact CD1-NE2 3.28Å; E145-Q149 WeakPolarHBondContact O-CB 3.3Å; E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.3Å; M146-Q149 PolarHBondContact O-N 3.16Å; F147-Q149 VanDerWaalsContact C-N 3.33Å; F147-Q149 PolarHBondContact O-N 2.87Å; Q149-G151 PolarHBondContact O-N 2.76Å
150	S	75.3	Confident	77.6	Confident	58 Å²	58	78.8 Å²	78.8	41%	0.406	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.1	-178.2	72.7	0	0	0	0	114.5	M146 F147 N152	M146-S150 PolarHBondContact O-N 3.04Å; F147-S150 WeakPolarHBondContact O-CB 3.44Å; F147-S150 PolarHBondContact O-N 2.81Å; F147-S150 PolarHBondContact O-OG 3.14Å; S150-N152 PolarHBondContact O-N 2.77Å; S150-N152 VanDerWaalsContact O-N 3.13Å; S150-N152 PolarHBondContact OG-ND2 2.93Å
151	G	69	Low	77.8	Confident	42 Å²	42	77.9 Å²	77.9	43%	0.433	41%	0.414	S	S	.	.			trans	70.2	5.3	178.4	0	0	0	0	0	114.8	Q149	Q149-G151 PolarHBondContact O-N 2.76Å
152	N	81.4	Confident	78	Confident	94 Å²	94	76.4 Å²	76.4	50%	0.503	41%	0.41	S	S	.	.			trans	-58	150.2	178.8	-79.7	-32	0	0	0	112	S150 L154 A155 K156	S150-N152 PolarHBondContact O-N 2.77Å; S150-N152 VanDerWaalsContact O-N 3.13Å; S150-N152 PolarHBondContact OG-ND2 2.93Å; N152-L154 PolarHBondContact O-N 2.84Å; N152-A155 HydrophobicContact CB-CB 4.49Å; N152-A155 WeakPolarHBondContact O-CA 3.5Å; N152-A155 WeakPolarHBondContact O-CB 3.29Å; N152-A155 PolarHBondContact O-N 2.97Å; N152-K156 PolarHBondContact O-N 3.32Å
153	Q	76.7	Confident	78.3	Confident	172 Å²	172	78.6 Å²	78.6	80%	0.804	43%	0.429	S	S	*	.	H	α-helix	trans	-55	-39.6	177.8	-74.2	-174.2	-19.1	0	0	112	A155 K156 V157	Q153-A155 VanDerWaalsContact C-N 3.34Å; Q153-A155 PolarHBondContact O-N 3.09Å; Q153-K156 PolarHBondContact O-N 3.04Å; Q153-V157 VanDerWaalsContact O-CG2 3.32Å; Q153-V157 WeakPolarHBondContact O-CG2 3.28Å; Q153-V157 PolarHBondContact O-N 3.28Å
154	L	77.9	Confident	78.5	Confident	119 Å²	119	81.4 Å²	81.4	62%	0.623	44%	0.435	S	S	*	.	H	α-helix	trans	-63.6	-37	176.5	-168.2	68.6	0	0	0	112.6	F147 N152 V157 K158	F147-L154 HydrophobicContact CE2-CD2 4.24Å; F147-L154 HydrophobicContact CZ-CB 4.03Å; F147-L154 HydrophobicContact CZ-CD2 3.87Å; F147-L154 HydrophobicContact CZ-CG 3.92Å; N152-L154 PolarHBondContact O-N 2.84Å; L154-V157 PolarHBondContact O-N 2.99Å; L154-K158 WeakPolarHBondContact O-CB 3.34Å; L154-K158 PolarHBondContact O-N 3.41Å
155	A	76.6	Confident	78.8	Confident	2 Å²	2	84.7 Å²	84.7	2%	0.017	44%	0.443	C	S	.	.	H	α-helix	trans	-65.5	-46	174.6	0	0	0	0	0	110.8	F147 N152 Q153 V157 K158 S159	F147-A155 HydrophobicContact CD1-CB 4.28Å; F147-A155 HydrophobicContact CE1-CB 3.86Å; F147-A155 HydrophobicContact CZ-CB 4.09Å; F147-A155 WeakPolarHBondContact O-CB 3.12Å; N152-A155 HydrophobicContact CB-CB 4.49Å; N152-A155 WeakPolarHBondContact O-CA 3.5Å; N152-A155 WeakPolarHBondContact O-CB 3.29Å; N152-A155 PolarHBondContact O-N 2.97Å; Q153-A155 VanDerWaalsContact C-N 3.34Å; Q153-A155 PolarHBondContact O-N 3.09Å; A155-V157 VanDerWaalsContact C-N 3.35Å; A155-V157 PolarHBondContact O-N 3.27Å; A155-K158 PolarHBondContact O-N 3.18Å; A155-S159 PolarHBondContact O-N 3.12Å; A155-S159 PolarHBondContact O-OG 3.23Å; A155-S159 VanDerWaalsContact O-OG 3.05Å
156	K	79.1	Confident	79.3	Confident	137 Å²	137	84.8 Å²	84.8	60%	0.596	45%	0.449	S	S	*	.	H	α-helix	trans	-59.4	-43.1	175.2	-67.5	-176.9	-179.7	-179.4	0	112.5	N152 Q153 S160	N152-K156 PolarHBondContact O-N 3.32Å; Q153-K156 PolarHBondContact O-N 3.04Å; K156-S160 WeakPolarHBondContact O-CB 3.46Å; K156-S160 PolarHBondContact O-N 3.31Å; K156-S160 PolarHBondContact O-OG 2.85Å
157	V	79.1	Confident	79.8	Confident	96 Å²	96	87 Å²	87	58%	0.582	46%	0.458	S	S	*	.	H	α-helix	trans	-64.7	-43.4	176.5	171.9	0	0	0	0	110.9	Q153 L154 A155 S160 A161	Q153-V157 VanDerWaalsContact O-CG2 3.32Å; Q153-V157 WeakPolarHBondContact O-CG2 3.28Å; Q153-V157 PolarHBondContact O-N 3.28Å; L154-V157 PolarHBondContact O-N 2.99Å; A155-V157 VanDerWaalsContact C-N 3.35Å; A155-V157 PolarHBondContact O-N 3.27Å; V157-S160 PolarHBondContact O-N 3.38Å; V157-A161 WeakPolarHBondContact O-CB 3.31Å; V157-A161 PolarHBondContact O-N 3.32Å
158	K	82.9	Confident	80.1	Confident	83 Å²	83	88.1 Å²	88.1	36%	0.361	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-47.8	177	-170.5	177	173.4	-172.1	0	111.6	N144 F147 M148 L154 A155 S160 A161 D162	N144-K158 PolarHBondContact OD1-NZ 2.95Å; F147-K158 HydrophobicContact CE1-CD 4.05Å; M148-K158 HydrophobicContact CE-CB 4.4Å; M148-K158 HydrophobicContact CE-CD 3.47Å; M148-K158 VanDerWaalsContact CE-CD 3.47Å; M148-K158 HydrophobicContact CE-CG 3.84Å; L154-K158 WeakPolarHBondContact O-CB 3.34Å; L154-K158 PolarHBondContact O-N 3.41Å; A155-K158 PolarHBondContact O-N 3.18Å; K158-S160 VanDerWaalsContact C-N 3.33Å; K158-S160 PolarHBondContact O-N 3.11Å; K158-A161 PolarHBondContact O-N 2.89Å; K158-D162 WeakPolarHBondContact O-CB 3.31Å; K158-D162 PolarHBondContact O-N 2.97Å
159	S	77.4	Confident	80.8	Confident	57 Å²	57	91.8 Å²	91.8	40%	0.399	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-40.9	175.9	-56.8	0	0	0	0	112.4	A155 D162 A163	A155-S159 PolarHBondContact O-N 3.12Å; A155-S159 PolarHBondContact O-OG 3.23Å; A155-S159 VanDerWaalsContact O-OG 3.05Å; S159-D162 PolarHBondContact O-N 3.24Å; S159-A163 WeakPolarHBondContact O-CB 3.04Å; S159-A163 PolarHBondContact O-N 2.79Å
160	S	81.5	Confident	81.4	Confident	80 Å²	80	92 Å²	92	56%	0.559	48%	0.48	S	S	*	.	H	α-helix	trans	-66.9	-40.3	177.2	-55.2	0	0	0	0	111.9	K156 V157 K158 R164	K156-S160 WeakPolarHBondContact O-CB 3.46Å; K156-S160 PolarHBondContact O-N 3.31Å; K156-S160 PolarHBondContact O-OG 2.85Å; V157-S160 PolarHBondContact O-N 3.38Å; K158-S160 VanDerWaalsContact C-N 3.33Å; K158-S160 PolarHBondContact O-N 3.11Å; S160-R164 PolarHBondContact O-N 3.04Å
161	A	82.5	Confident	81.7	Confident	35 Å²	35	93.4 Å²	93.4	29%	0.289	48%	0.482	S	S	.	.	H	α-helix	trans	-66.6	-40.6	176	0	0	0	0	0	112.3	V157 K158 R164 R165	V157-A161 WeakPolarHBondContact O-CB 3.31Å; V157-A161 PolarHBondContact O-N 3.32Å; K158-A161 PolarHBondContact O-N 2.89Å; A161-R164 PolarHBondContact O-N 2.99Å; A161-R165 WeakPolarHBondContact O-CG 3.5Å; A161-R165 PolarHBondContact O-N 3.44Å
162	D	83.2	Confident	82.5	Confident	57 Å²	57	98 Å²	98	31%	0.305	49%	0.492	S	S	.	.	H	α-helix	trans	-68.4	-40.4	176.8	-69.6	-25.4	0	0	0	111.2	K158 S159 R164 R165 T166	K158-D162 WeakPolarHBondContact O-CB 3.31Å; K158-D162 PolarHBondContact O-N 2.97Å; S159-D162 PolarHBondContact O-N 3.24Å; D162-R164 PolarHBondContact O-N 3.45Å; D162-R165 PolarHBondContact O-N 3.08Å; D162-R165 IonicContact OD1-NH1 3.77Å; D162-R165 PolarHBondContact OD1-NH1 2.83Å; D162-T166 WeakPolarHBondContact O-CG2 3.48Å; D162-T166 PolarHBondContact O-N 2.94Å; D162-T166 PolarHBondContact O-OG1 2.82Å
163	A	84.5	Confident	82.8	Confident	52 Å²	52	97.5 Å²	97.5	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-57.9	-48.5	172.6	0	0	0	0	0	111.6	S159 R165 T166 E167	S159-A163 WeakPolarHBondContact O-CB 3.04Å; S159-A163 PolarHBondContact O-N 2.79Å; A163-R165 PolarHBondContact O-N 3.39Å; A163-T166 WeakPolarHBondContact CA-OG1 3.17Å; A163-T166 PolarHBondContact O-N 2.77Å; A163-T166 VanDerWaalsContact O-N 3.11Å; A163-T166 PolarHBondContact O-OG1 2.82Å; A163-E167 PolarHBondContact O-N 2.8Å
164	R	85.3	Confident	83.1	Confident	166 Å²	166	96 Å²	96	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-61.3	-42.3	178.1	-157.4	-177.9	90.8	-175.8	3.1	112.5	S160 A161 D162 T166 E167 E168	S160-R164 PolarHBondContact O-N 3.04Å; A161-R164 PolarHBondContact O-N 2.99Å; D162-R164 PolarHBondContact O-N 3.45Å; R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 2.57Å; R164-E167 PolarHBondContact O-N 3.28Å; R164-E168 IonicContact CZ-OE1 2.89Å; R164-E168 IonicContact NE-OE1 2.77Å; R164-E168 PolarHBondContact NE-OE1 3.32Å; R164-E168 IonicContact NH2-OE1 3.54Å; R164-E168 PolarHBondContact NH2-OE1 2.83Å; R164-E168 WeakPolarHBondContact O-CB 3.34Å; R164-E168 VanDerWaalsContact O-CG 3.31Å; R164-E168 WeakPolarHBondContact O-CG 3.26Å; R164-E168 PolarHBondContact O-N 3.28Å
165	R	85.1	Confident	83.3	Confident	138 Å²	138	94.3 Å²	94.3	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-38.2	174.2	-73.3	173.3	-174.2	145.8	-2.2	112.3	A161 D162 A163 K169	A161-R165 WeakPolarHBondContact O-CG 3.5Å; A161-R165 PolarHBondContact O-N 3.44Å; D162-R165 PolarHBondContact O-N 3.08Å; D162-R165 IonicContact OD1-NH1 3.77Å; D162-R165 PolarHBondContact OD1-NH1 2.83Å; A163-R165 PolarHBondContact O-N 3.39Å; R165-K169 WeakPolarHBondContact O-CB 2.98Å; R165-K169 VanDerWaalsContact O-CG 3.25Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.04Å
166	T	87.3	Confident	83.7	Confident	81 Å²	81	100.4 Å²	100.4	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-38.5	176.8	52.8	0	0	0	0	111.9	D162 A163 R164 Q170	D162-T166 WeakPolarHBondContact O-CG2 3.48Å; D162-T166 PolarHBondContact O-N 2.94Å; D162-T166 PolarHBondContact O-OG1 2.82Å; A163-T166 WeakPolarHBondContact CA-OG1 3.17Å; A163-T166 PolarHBondContact O-N 2.77Å; A163-T166 VanDerWaalsContact O-N 3.11Å; A163-T166 PolarHBondContact O-OG1 2.82Å; R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 2.57Å; T166-Q170 WeakPolarHBondContact O-CB 2.99Å; T166-Q170 VanDerWaalsContact O-CG 3.28Å; T166-Q170 WeakPolarHBondContact O-CG 3.21Å; T166-Q170 PolarHBondContact O-N 3.29Å
167	E	86.2	Confident	84	Confident	113 Å²	113	102 Å²	102	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-46.9	176.4	-171.7	-178.6	179.9	0	0	111.9	A163 R164 K169 Q170 N171	A163-E167 PolarHBondContact O-N 2.8Å; R164-E167 PolarHBondContact O-N 3.28Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 2.82Å; E167-Q170 PolarHBondContact O-N 3.3Å; E167-Q170 VanDerWaalsContact O-N 3.12Å; E167-N171 PolarHBondContact O-N 3.03Å
168	E	84.3	Confident	84.1	Confident	85 Å²	85	101.3 Å²	101.3	40%	0.397	49%	0.493	S	S	.	.	H	α-helix	trans	-55.2	-48	173.4	-74.4	167.8	-170.7	0	0	110.9	R164 Q170 N171 E172	R164-E168 IonicContact CZ-OE1 2.89Å; R164-E168 IonicContact NE-OE1 2.77Å; R164-E168 PolarHBondContact NE-OE1 3.32Å; R164-E168 IonicContact NH2-OE1 3.54Å; R164-E168 PolarHBondContact NH2-OE1 2.83Å; R164-E168 WeakPolarHBondContact O-CB 3.34Å; R164-E168 VanDerWaalsContact O-CG 3.31Å; R164-E168 WeakPolarHBondContact O-CG 3.26Å; R164-E168 PolarHBondContact O-N 3.28Å; E168-Q170 VanDerWaalsContact C-N 3.35Å; E168-Q170 PolarHBondContact O-N 2.72Å; E168-N171 PolarHBondContact O-N 2.92Å; E168-E172 WeakPolarHBondContact O-CG 3.42Å; E168-E172 PolarHBondContact O-N 2.86Å
169	K	87.7	Confident	84.1	Confident	133 Å²	133	98.8 Å²	98.8	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-37.7	176	-76	176.7	-179	-176.7	0	113.1	R165 E167 L173	R165-K169 WeakPolarHBondContact O-CB 2.98Å; R165-K169 VanDerWaalsContact O-CG 3.25Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.04Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 2.82Å; K169-L173 VanDerWaalsContact O-CB 3.29Å; K169-L173 WeakPolarHBondContact O-CB 3.28Å; K169-L173 WeakPolarHBondContact O-CD1 3.47Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 2.8Å
170	Q	85.8	Confident	84.4	Confident	133 Å²	133	100.2 Å²	100.2	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-67.5	-40.9	176.7	-79.2	178.6	0.8	0	0	111.5	T166 E167 E168 L173 K174	T166-Q170 WeakPolarHBondContact O-CB 2.99Å; T166-Q170 VanDerWaalsContact O-CG 3.28Å; T166-Q170 WeakPolarHBondContact O-CG 3.21Å; T166-Q170 PolarHBondContact O-N 3.29Å; E167-Q170 PolarHBondContact O-N 3.3Å; E167-Q170 VanDerWaalsContact O-N 3.12Å; E168-Q170 VanDerWaalsContact C-N 3.35Å; E168-Q170 PolarHBondContact O-N 2.72Å; Q170-L173 PolarHBondContact O-N 3.21Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 PolarHBondContact O-N 2.79Å
171	N	83.1	Confident	84.6	Confident	86 Å²	86	98.7 Å²	98.7	46%	0.46	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-44.5	176.3	-71.8	-21.6	0	0	0	111.4	E167 E168 L173 K174 V175	E167-N171 PolarHBondContact O-N 3.03Å; E168-N171 PolarHBondContact O-N 2.92Å; N171-L173 VanDerWaalsContact C-N 3.35Å; N171-L173 PolarHBondContact O-N 2.93Å; N171-K174 PolarHBondContact O-N 3.44Å; N171-V175 WeakPolarHBondContact O-CG2 3.37Å; N171-V175 PolarHBondContact O-N 3.27Å
172	E	84.3	Confident	84.8	Confident	138 Å²	138	97.8 Å²	97.8	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-59.2	-43.7	172.8	-75.2	179.6	174.7	0	0	112.1	E168 K174 K176	E168-E172 WeakPolarHBondContact O-CG 3.42Å; E168-E172 PolarHBondContact O-N 2.86Å; E172-K174 VanDerWaalsContact C-N 3.34Å; E172-K174 PolarHBondContact O-N 2.78Å; E172-K176 VanDerWaalsContact O-CB 3.29Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 2.99Å
173	L	87.8	Confident	84.9	Confident	85 Å²	85	98.3 Å²	98.3	45%	0.445	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-38.6	175.1	-86.4	160.2	0	0	0	112.2	K169 Q170 N171 R177	K169-L173 VanDerWaalsContact O-CB 3.29Å; K169-L173 WeakPolarHBondContact O-CB 3.28Å; K169-L173 WeakPolarHBondContact O-CD1 3.47Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 2.8Å; Q170-L173 PolarHBondContact O-N 3.21Å; N171-L173 VanDerWaalsContact C-N 3.35Å; N171-L173 PolarHBondContact O-N 2.93Å; L173-R177 WeakPolarHBondContact O-CB 3.34Å; L173-R177 WeakPolarHBondContact O-CG 3.35Å; L173-R177 PolarHBondContact O-N 2.87Å
174	K	84.2	Confident	84.9	Confident	141 Å²	141	98.3 Å²	98.3	61%	0.613	47%	0.473	S	S	*	.	H	α-helix	trans	-65.8	-49.9	177.8	-173.4	-178.1	175.6	-172.4	0	110.9	Q170 N171 E172 K176 R177 E178	Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 PolarHBondContact O-N 2.79Å; N171-K174 PolarHBondContact O-N 3.44Å; E172-K174 VanDerWaalsContact C-N 3.34Å; E172-K174 PolarHBondContact O-N 2.78Å; K174-K176 VanDerWaalsContact C-N 3.32Å; K174-K176 PolarHBondContact O-N 2.87Å; K174-R177 PolarHBondContact O-N 2.75Å; K174-E178 PolarHBondContact O-N 2.8Å
175	V	82.6	Confident	84.9	Confident	82 Å²	82	93.5 Å²	93.5	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.2	173.1	0	0	0	0	110.8	N171 R177 E178 C179	N171-V175 WeakPolarHBondContact O-CG2 3.37Å; N171-V175 PolarHBondContact O-N 3.27Å; V175-R177 PolarHBondContact O-N 2.95Å; V175-E178 PolarHBondContact O-N 3.31Å; V175-C179 PolarHBondContact O-N 3.06Å; V175-C179 PolarHBondContact O-SG 3.11Å; V175-C179 VanDerWaalsContact O-SG 3.34Å
176	K	84.3	Confident	84.9	Confident	131 Å²	131	87 Å²	87	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-62.4	-43.9	177.2	-173.2	174	-178.9	177.4	0	112.3	E172 K174 E178 C179 D180	E172-K176 VanDerWaalsContact O-CB 3.29Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 2.99Å; K174-K176 VanDerWaalsContact C-N 3.32Å; K174-K176 PolarHBondContact O-N 2.87Å; K176-E178 VanDerWaalsContact C-N 3.32Å; K176-E178 PolarHBondContact O-N 3.11Å; K176-C179 PolarHBondContact O-N 3.18Å; K176-D180 WeakPolarHBondContact O-CB 3.13Å; K176-D180 PolarHBondContact O-N 3.49Å
177	R	84.4	Confident	84.7	Confident	170 Å²	170	84.4 Å²	84.4	64%	0.642	42%	0.421	S	S	*	.	H	α-helix	trans	-62.6	-39.2	176.6	-74.1	170.8	-170.1	170.3	4.4	112.3	L173 K174 V175 A181	L173-R177 WeakPolarHBondContact O-CB 3.34Å; L173-R177 WeakPolarHBondContact O-CG 3.35Å; L173-R177 PolarHBondContact O-N 2.87Å; K174-R177 PolarHBondContact O-N 2.75Å; V175-R177 PolarHBondContact O-N 2.95Å; R177-A181 VanDerWaalsContact O-CB 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.3Å; R177-A181 PolarHBondContact O-N 2.82Å
178	E	81.7	Confident	84.6	Confident	81 Å²	81	83.5 Å²	83.5	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-65.9	-46.4	176.7	-172.3	168.6	-174.8	0	0	111.2	K174 V175 K176 D180 A181 Q182	K174-E178 PolarHBondContact O-N 2.8Å; V175-E178 PolarHBondContact O-N 3.31Å; K176-E178 VanDerWaalsContact C-N 3.32Å; K176-E178 PolarHBondContact O-N 3.11Å; E178-D180 PolarHBondContact O-N 2.86Å; E178-A181 PolarHBondContact O-N 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.4Å; E178-Q182 PolarHBondContact O-N 2.84Å
179	C	82	Confident	84.5	Confident	31 Å²	31	80 Å²	80	21%	0.209	41%	0.407	C	S	.	.	H	α-helix	trans	-57.9	-47.7	172.6	-71.4	0	0	0	0	112.3	V175 K176 A181 Q182 I183	V175-C179 PolarHBondContact O-N 3.06Å; V175-C179 PolarHBondContact O-SG 3.11Å; V175-C179 VanDerWaalsContact O-SG 3.34Å; K176-C179 PolarHBondContact O-N 3.18Å; C179-A181 VanDerWaalsContact C-N 3.28Å; C179-A181 PolarHBondContact O-N 3.28Å; C179-Q182 PolarHBondContact O-N 2.83Å; C179-I183 WeakPolarHBondContact O-CB 3.45Å; C179-I183 WeakPolarHBondContact O-CD1 3.29Å; C179-I183 WeakPolarHBondContact O-CG1 3.42Å; C179-I183 PolarHBondContact O-N 2.83Å
180	D	85.4	Confident	83.9	Confident	86 Å²	86	73.9 Å²	73.9	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-36.3	179.4	-69.3	-22.2	0	0	0	111.2	K176 E178 A184	K176-D180 WeakPolarHBondContact O-CB 3.13Å; K176-D180 PolarHBondContact O-N 3.49Å; E178-D180 PolarHBondContact O-N 2.86Å; D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 2.86Å
181	A	85.5	Confident	83.2	Confident	49 Å²	49	71.7 Å²	71.7	41%	0.405	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174.8	0	0	0	0	0	112.2	R177 E178 C179 I183 A184 I185	R177-A181 VanDerWaalsContact O-CB 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.3Å; R177-A181 PolarHBondContact O-N 2.82Å; E178-A181 PolarHBondContact O-N 3.32Å; C179-A181 VanDerWaalsContact C-N 3.28Å; C179-A181 PolarHBondContact O-N 3.28Å; A181-I183 VanDerWaalsContact C-N 3.35Å; A181-I183 PolarHBondContact O-N 3.39Å; A181-A184 PolarHBondContact O-N 2.67Å; A181-I185 VanDerWaalsContact O-CG1 3.32Å; A181-I185 WeakPolarHBondContact O-CG1 2.95Å; A181-I185 PolarHBondContact O-N 3.06Å
182	Q	85.8	Confident	82.5	Confident	15 Å²	15	71.2 Å²	71.2	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175.1	-70.9	179.7	-12.6	0	0	111.4	E178 C179 A184 I185 I186 M254 F265	E178-Q182 WeakPolarHBondContact O-CG 3.4Å; E178-Q182 PolarHBondContact O-N 2.84Å; C179-Q182 PolarHBondContact O-N 2.83Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 2.92Å; Q182-I185 PolarHBondContact O-N 2.66Å; Q182-I186 PolarHBondContact O-N 2.83Å; Q182-M254 HydrophobicContact CB-CE 3.89Å; Q182-M254 HydrophobicContact CB-SD 4.05Å; Q182-F265 HydrophobicContact CB-CE1 4.26Å; Q182-F265 HydrophobicContact CB-CE2 4.11Å; Q182-F265 HydrophobicContact CB-CZ 3.7Å; Q182-F265 HydrophobicContact CG-CD1 4.19Å; Q182-F265 HydrophobicContact CG-CD2 4.41Å; Q182-F265 HydrophobicContact CG-CE1 3.74Å; Q182-F265 HydrophobicContact CG-CE2 3.97Å; Q182-F265 HydrophobicContact CG-CZ 3.61Å
183	I	85.1	Confident	81.4	Confident	68 Å²	68	65.7 Å²	65.7	35%	0.349	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-45.5	174.1	-70.8	165.1	0	0	0	110.5	C179 A181 I185 S187 V250 M254	C179-I183 WeakPolarHBondContact O-CB 3.45Å; C179-I183 WeakPolarHBondContact O-CD1 3.29Å; C179-I183 WeakPolarHBondContact O-CG1 3.42Å; C179-I183 PolarHBondContact O-N 2.83Å; A181-I183 VanDerWaalsContact C-N 3.35Å; A181-I183 PolarHBondContact O-N 3.39Å; I183-I185 VanDerWaalsContact C-N 3.35Å; I183-I185 PolarHBondContact O-N 3.31Å; I183-S187 WeakPolarHBondContact O-CB 3.49Å; I183-S187 PolarHBondContact O-N 3.46Å; I183-V250 HydrophobicContact CG2-CG1 4.25Å; I183-M254 HydrophobicContact CG1-CE 3.89Å; I183-M254 HydrophobicContact CG1-CG 3.78Å; I183-M254 HydrophobicContact CG1-SD 3.66Å
184	A	85.2	Confident	80.1	Confident	52 Å²	52	63.5 Å²	63.5	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-39	179.5	0	0	0	0	0	112.4	D180 A181 Q182 T188	D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 2.86Å; A181-A184 PolarHBondContact O-N 2.67Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 2.92Å; A184-T188 VanDerWaalsContact O-CB 3.3Å; A184-T188 WeakPolarHBondContact O-CB 3.26Å; A184-T188 PolarHBondContact O-N 3.36Å; A184-T188 PolarHBondContact O-OG1 3.48Å
185	I	85.2	Confident	78.6	Confident	66 Å²	66	58.9 Å²	58.9	34%	0.338	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-53.2	177	-68	164.9	0	0	0	110.4	A181 Q182 I183 S187 T188 I189 F265 T269	A181-I185 VanDerWaalsContact O-CG1 3.32Å; A181-I185 WeakPolarHBondContact O-CG1 2.95Å; A181-I185 PolarHBondContact O-N 3.06Å; Q182-I185 PolarHBondContact O-N 2.66Å; I183-I185 VanDerWaalsContact C-N 3.35Å; I183-I185 PolarHBondContact O-N 3.31Å; I185-S187 VanDerWaalsContact C-N 3.34Å; I185-S187 PolarHBondContact O-N 2.76Å; I185-T188 WeakPolarHBondContact O-CB 3.34Å; I185-T188 PolarHBondContact O-N 3.15Å; I185-I189 HydrophobicContact CG2-CD1 4.02Å; I185-I189 WeakPolarHBondContact O-CG1 2.98Å; I185-I189 PolarHBondContact O-N 3.15Å; I185-F265 HydrophobicContact CD1-CE1 4.22Å; I185-T269 HydrophobicContact CG2-CG2 3.58Å
186	I	84.3	Confident	77	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-43.7	-179.9	-69	167	0	0	0	110.5	Q182 T188 I189 C190 V250 L253 M254 A257 F265 L272	Q182-I186 PolarHBondContact O-N 2.83Å; I186-T188 VanDerWaalsContact C-N 3.33Å; I186-T188 PolarHBondContact O-N 3.34Å; I186-I189 PolarHBondContact O-N 3.3Å; I186-C190 PolarHBondContact O-N 3.12Å; I186-C190 PolarHBondContact O-SG 3.03Å; I186-V250 HydrophobicContact CG2-CG1 4.24Å; I186-V250 HydrophobicContact CG2-CG2 4.24Å; I186-L253 HydrophobicContact CD1-CB 4.48Å; I186-L253 HydrophobicContact CG2-CB 4.3Å; I186-L253 HydrophobicContact CG2-CD1 3.87Å; I186-M254 HydrophobicContact CD1-CG 4.49Å; I186-M254 HydrophobicContact CD1-SD 3.59Å; I186-M254 VanDerWaalsContact CD1-SD 3.59Å; I186-A257 HydrophobicContact CD1-CB 4.17Å; I186-F265 HydrophobicContact CD1-CE2 3.93Å; I186-F265 HydrophobicContact CD1-CZ 4.19Å; I186-F265 HydrophobicContact CG1-CE2 4.43Å; I186-F265 HydrophobicContact CG1-CZ 4.29Å; I186-L272 HydrophobicContact CG1-CD2 4.3Å; I186-L272 HydrophobicContact CG2-CD2 4.3Å
187	S	83.6	Confident	75.5	Confident	28 Å²	28	64 Å²	64	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-40.5	177.4	-175.3	0	0	0	0	111.9	I183 I185 I189 C190 N191 K246	I183-S187 WeakPolarHBondContact O-CB 3.49Å; I183-S187 PolarHBondContact O-N 3.46Å; I185-S187 VanDerWaalsContact C-N 3.34Å; I185-S187 PolarHBondContact O-N 2.76Å; S187-I189 VanDerWaalsContact C-N 3.34Å; S187-I189 PolarHBondContact O-N 2.94Å; S187-C190 PolarHBondContact O-N 2.78Å; S187-N191 PolarHBondContact O-N 3Å; S187-N191 PolarHBondContact O-ND2 3.41Å; S187-N191 VanDerWaalsContact O-ND2 3.16Å; S187-N191 PolarHBondContact O-OD1 3.01Å; S187-K246 WeakPolarHBondContact OG-CE 3.33Å
188	T	84.6	Confident	74.2	Confident	93 Å²	93	61.4 Å²	61.4	57%	0.571	35%	0.345	S	S	*	.	H	α-helix	trans	-60.2	-43.7	174	-61.4	0	0	0	0	111.6	A184 I185 I186 N191	A184-T188 VanDerWaalsContact O-CB 3.3Å; A184-T188 WeakPolarHBondContact O-CB 3.26Å; A184-T188 PolarHBondContact O-N 3.36Å; A184-T188 PolarHBondContact O-OG1 3.48Å; I185-T188 WeakPolarHBondContact O-CB 3.34Å; I185-T188 PolarHBondContact O-N 3.15Å; I186-T188 VanDerWaalsContact C-N 3.33Å; I186-T188 PolarHBondContact O-N 3.34Å; T188-N191 WeakPolarHBondContact O-CB 3.29Å; T188-N191 PolarHBondContact O-N 3.32Å
189	I	81.3	Confident	72.9	Confident	13 Å²	13	64 Å²	64	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-67.1	-43.8	178.3	-66.5	165.6	0	0	0	110.6	I185 I186 S187 N191 S192 T269 L272 R273 M276	I185-I189 HydrophobicContact CG2-CD1 4.02Å; I185-I189 WeakPolarHBondContact O-CG1 2.98Å; I185-I189 PolarHBondContact O-N 3.15Å; I186-I189 PolarHBondContact O-N 3.3Å; S187-I189 VanDerWaalsContact C-N 3.34Å; S187-I189 PolarHBondContact O-N 2.94Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.32Å; I189-S192 WeakPolarHBondContact O-CB 3.24Å; I189-S192 PolarHBondContact O-N 3.41Å; I189-S192 VanDerWaalsContact O-N 3.09Å; I189-S192 PolarHBondContact O-OG 2.7Å; I189-T269 HydrophobicContact CD1-CG2 3.56Å; I189-L272 HydrophobicContact CB-CD2 4.29Å; I189-L272 HydrophobicContact CD1-CD2 4.16Å; I189-L272 HydrophobicContact CG2-CD2 3.93Å; I189-L272 HydrophobicContact CG2-CG 3.89Å; I189-R273 HydrophobicContact CD1-CG 3.86Å; I189-R273 HydrophobicContact CG1-CG 4.07Å; I189-R273 HydrophobicContact CG2-CG 4.41Å; I189-M276 HydrophobicContact CG2-CB 4.41Å; I189-M276 HydrophobicContact CG2-CG 3.46Å; I189-M276 VanDerWaalsContact CG2-CG 3.46Å
190	C	75.8	Confident	71.9	Confident	3 Å²	3	65 Å²	65	2%	0.02	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-32.6	177.9	-64.8	0	0	0	0	112.9	I186 S187 S192 L193 I194	I186-C190 PolarHBondContact O-N 3.12Å; I186-C190 PolarHBondContact O-SG 3.03Å; S187-C190 PolarHBondContact O-N 2.78Å; C190-S192 PolarHBondContact O-N 2.87Å; C190-L193 PolarHBondContact O-N 2.91Å; C190-L193 VanDerWaalsContact O-N 3.08Å; C190-I194 PolarHBondContact O-N 3.41Å
191	N	71.7	Confident	70.8	Confident	87 Å²	87	61.7 Å²	61.7	47%	0.465	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-28.2	174.8	-69.8	-30.7	0	0	0	113	S187 T188 I189 L193 K246	S187-N191 PolarHBondContact O-N 3Å; S187-N191 PolarHBondContact O-ND2 3.41Å; S187-N191 VanDerWaalsContact O-ND2 3.16Å; S187-N191 PolarHBondContact O-OD1 3.01Å; T188-N191 WeakPolarHBondContact O-CB 3.29Å; T188-N191 PolarHBondContact O-N 3.32Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.32Å; N191-L193 VanDerWaalsContact C-N 3.28Å; N191-K246 WeakPolarHBondContact OD1-CE 3.47Å; N191-K246 PolarHBondContact OD1-NZ 2.77Å
192	S	67.2	Low	70.1	Confident	76 Å²	76	60.6 Å²	60.6	53%	0.531	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.8	178.9	74.9	0	0	0	0	113.2	I189 C190	I189-S192 WeakPolarHBondContact O-CB 3.24Å; I189-S192 PolarHBondContact O-N 3.41Å; I189-S192 VanDerWaalsContact O-N 3.09Å; I189-S192 PolarHBondContact O-OG 2.7Å; C190-S192 PolarHBondContact O-N 2.87Å
193	L	62	Low	69.3	Low	23 Å²	23	60.3 Å²	60.3	12%	0.12	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-53.8	-175.5	-167.4	81.5	0	0	0	112.5	C190 N191 P195 M276 F279 R280	C190-L193 PolarHBondContact O-N 2.91Å; C190-L193 VanDerWaalsContact O-N 3.08Å; N191-L193 VanDerWaalsContact C-N 3.28Å; L193-P195 WeakPolarHBondContact O-CD 3.49Å; L193-M276 HydrophobicContact CB-SD 3.78Å; L193-M276 HydrophobicContact CD1-CB 4.19Å; L193-M276 WeakPolarHBondContact CD1-O 3.39Å; L193-M276 HydrophobicContact CD1-SD 4.05Å; L193-M276 HydrophobicContact CD2-CE 4.44Å; L193-M276 HydrophobicContact CD2-SD 3.64Å; L193-M276 HydrophobicContact CG-SD 4Å; L193-F279 HydrophobicContact CD1-CB 3.62Å; L193-F279 HydrophobicContact CD2-CB 4.32Å; L193-F279 HydrophobicContact CD2-CD2 4.2Å; L193-R280 HydrophobicContact CD1-CB 4.33Å
194	I	59.9	Low	68.7	Low	38 Å²	38	58.6 Å²	58.6	20%	0.195	33%	0.33	C	S	.	.			trans	-67.6	107.9	-166.8	-56.9	174.5	0	0	0	109.4	C190 K198 T201 K246	C190-I194 PolarHBondContact O-N 3.41Å; I194-K198 VanDerWaalsContact CG2-O 3.32Å; I194-K198 WeakPolarHBondContact CG2-O 3.4Å; I194-T201 HydrophobicContact CD1-CG2 4.47Å; I194-T201 HydrophobicContact CG1-CG2 4.04Å; I194-K246 HydrophobicContact CD1-CB 3.82Å; I194-K246 HydrophobicContact CD1-CG 4.04Å
195	P	53.3	Low	68.3	Low	44 Å²	44	57.5 Å²	57.5	29%	0.286	32%	0.317	S	S	.	.			trans	-64.4	139.7	172.9	-11.3	27.4	0	0	0	107.3	L193 K197 K198 E283	L193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-K197 PolarHBondContact O-N 3.07Å; P195-K198 PolarHBondContact O-N 3.11Å; P195-K198 VanDerWaalsContact O-N 3.12Å; P195-E283 WeakPolarHBondContact CG-OE2 3.47Å
196	P	49.7	Very low	67.9	Low	124 Å²	124	54.4 Å²	54.4	81%	0.805	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-6.8	-178.6	23.7	-33.9	0	0	0	114.1
197	K	53.1	Low	67.5	Low	196 Å²	196	56.8 Å²	56.8	85%	0.852	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-28.2	179.7	-67.7	-174.8	177.1	179.9	0	114.2	P195	P195-K197 PolarHBondContact O-N 3.07Å
198	K	55.1	Low	67.1	Low	116 Å²	116	55.5 Å²	55.5	50%	0.504	30%	0.303	S	S	.	.			trans	-113.7	101.9	178.9	-72.3	177	-175.6	159.1	0	107.8	I194 P195 S200 E283	I194-K198 VanDerWaalsContact CG2-O 3.32Å; I194-K198 WeakPolarHBondContact CG2-O 3.4Å; P195-K198 PolarHBondContact O-N 3.11Å; P195-K198 VanDerWaalsContact O-N 3.12Å; K198-S200 PolarHBondContact O-N 3.27Å; K198-E283 IonicContact NZ-OE1 3.25Å; K198-E283 PolarHBondContact NZ-OE1 3.25Å
199	N	55.8	Low	67	Low	136 Å²	136	51 Å²	51	73%	0.727	28%	0.276	S	S	*	.	S	Bend	trans	-68.3	3.2	177.9	-72.8	-9.2	0	0	0	113.5
200	S	60.8	Low	67	Low	53 Å²	53	50.7 Å²	50.7	37%	0.371	27%	0.274	S	S	.	.			trans	-143.5	143.9	-174.6	72.9	0	0	0	0	112.9	K198 Y244	K198-S200 PolarHBondContact O-N 3.27Å; S200-Y244 CarbonylContact C-O 3.58Å; S200-Y244 WeakPolarHBondContact CA-O 3.36Å
201	T	61.4	Low	67.1	Low	15 Å²	15	53.1 Å²	53.1	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.8	-179.8	35.4	0	0	0	0	110.4	I194 F243 Y244 F249	I194-T201 HydrophobicContact CD1-CG2 4.47Å; I194-T201 HydrophobicContact CG1-CG2 4.04Å; T201-F243 CarbonylContact O-C 3.58Å; T201-F243 VanDerWaalsContact O-CA 3.27Å; T201-F243 WeakPolarHBondContact O-CA 3.02Å; T201-Y244 PolarHBondContact N-O 2.96Å; T201-Y244 PolarHBondContact O-N 3.32Å; T201-Y244 PolarHBondContact OG1-O 3.47Å; T201-Y244 VanDerWaalsContact OG1-O 3.11Å; T201-F249 WeakPolarHBondContact OG1-CD2 3.29Å
202	N	71	Confident	67.4	Low	27 Å²	27	49.1 Å²	49.1	14%	0.144	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.5	-179.2	-170.9	-18.5	0	0	0	111.1	N204 M205 A242 F243 Y948	N202-N204 PolarHBondContact ND2-ND2 3.28Å; N202-N204 PolarHBondContact O-N 3.48Å; N202-N204 WeakPolarHBondContact OD1-CB 3.48Å; N202-N204 VanDerWaalsContact OD1-CG 3.27Å; N202-N204 PolarHBondContact OD1-N 2.71Å; N202-N204 VanDerWaalsContact OD1-N 3.08Å; N202-N204 PolarHBondContact OD1-ND2 3.21Å; N202-M205 WeakPolarHBondContact O-CB 3.36Å; N202-M205 PolarHBondContact O-N 3.47Å; N202-M205 VanDerWaalsContact O-N 3.12Å; N202-A242 WeakPolarHBondContact CA-O 3.35Å; N202-A242 PolarHBondContact OD1-O 2.79Å; N202-F243 HydrophobicContact CB-CE1 4.43Å; N202-Y948 HydrophobicContact CB-CE2 4.37Å; N202-Y948 PolarHBondContact ND2-OH 2.98Å
203	V	70.5	Confident	68.2	Low	8 Å²	8	45.7 Å²	45.7	5%	0.048	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.4	176.5	179.5	0	0	0	0	112.9	M205 I206 E207 L236 Q241 A242 Y244	V203-M205 PolarHBondContact O-N 2.86Å; V203-I206 WeakPolarHBondContact O-CB 3.22Å; V203-I206 PolarHBondContact O-N 3.12Å; V203-E207 PolarHBondContact O-N 2.92Å; V203-L236 HydrophobicContact CG1-CD1 3.86Å; V203-L236 HydrophobicContact CG1-CD2 3.95Å; V203-L236 HydrophobicContact CG1-CG 4.22Å; V203-Q241 WeakPolarHBondContact CG2-O 3.35Å; V203-A242 PolarHBondContact N-O 2.92Å; V203-Y244 HydrophobicContact CB-CD2 4.46Å; V203-Y244 HydrophobicContact CB-CE2 4.15Å; V203-Y244 HydrophobicContact CG1-CE2 3.95Å; V203-Y244 HydrophobicContact CG2-CD2 3.58Å; V203-Y244 HydrophobicContact CG2-CE1 4.43Å; V203-Y244 HydrophobicContact CG2-CE2 3.34Å; V203-Y244 HydrophobicContact CG2-CG 4.23Å
204	N	72.5	Confident	68.9	Low	32 Å²	32	45.3 Å²	45.3	17%	0.171	24%	0.238	C	C	.	.	H	α-helix	trans	-55.1	-28.1	179.3	-66.8	-6.8	0	0	0	112.5	N202 I206 E207 D208 K946 Y948	N202-N204 PolarHBondContact ND2-ND2 3.28Å; N202-N204 PolarHBondContact O-N 3.48Å; N202-N204 WeakPolarHBondContact OD1-CB 3.48Å; N202-N204 VanDerWaalsContact OD1-CG 3.27Å; N202-N204 PolarHBondContact OD1-N 2.71Å; N202-N204 VanDerWaalsContact OD1-N 3.08Å; N202-N204 PolarHBondContact OD1-ND2 3.21Å; N204-I206 VanDerWaalsContact C-N 3.35Å; N204-I206 PolarHBondContact O-N 3.42Å; N204-E207 PolarHBondContact O-N 3.02Å; N204-D208 PolarHBondContact O-N 3.36Å; N204-K946 WeakPolarHBondContact CB-O 3.46Å; N204-Y948 HydrophobicContact CB-CE2 4.12Å
205	M	76.4	Confident	69.5	Low	29 Å²	29	46.4 Å²	46.4	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-32.5	174.3	-65.6	178.2	174.4	0	0	112.9	N202 V203 V209 F249 F279 Y948	N202-M205 WeakPolarHBondContact O-CB 3.36Å; N202-M205 PolarHBondContact O-N 3.47Å; N202-M205 VanDerWaalsContact O-N 3.12Å; V203-M205 PolarHBondContact O-N 2.86Å; M205-V209 WeakPolarHBondContact O-CG2 3.05Å; M205-V209 PolarHBondContact O-N 3.46Å; M205-V209 VanDerWaalsContact O-N 3.08Å; M205-F249 HydrophobicContact CB-CE2 4.47Å; M205-F279 HydrophobicContact CB-CE1 4.45Å; M205-F279 HydrophobicContact CB-CE2 3.87Å; M205-F279 HydrophobicContact CB-CZ 3.83Å; M205-F279 HydrophobicContact CG-CE1 4.29Å; M205-F279 HydrophobicContact CG-CE2 4.29Å; M205-F279 HydrophobicContact CG-CZ 4.15Å; M205-F279 HydrophobicContact SD-CD2 4.41Å; M205-Y948 HydrophobicContact CE-CD1 4.15Å; M205-Y948 HydrophobicContact CE-CD2 4.16Å; M205-Y948 HydrophobicContact CE-CE1 3.88Å; M205-Y948 HydrophobicContact CE-CE2 3.87Å; M205-Y948 HydrophobicContact CE-CG 4.29Å; M205-Y948 HydrophobicContact CG-CD2 3.57Å; M205-Y948 HydrophobicContact CG-CE2 3.56Å; M205-Y948 HydrophobicContact CG-CG 4.36Å
206	I	75.8	Confident	70.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-43.9	175.5	-58.9	-178.1	0	0	0	109.5	V203 N204 V209 V210 Y244 F249 C252 L253 Y256	V203-I206 WeakPolarHBondContact O-CB 3.22Å; V203-I206 PolarHBondContact O-N 3.12Å; N204-I206 VanDerWaalsContact C-N 3.35Å; N204-I206 PolarHBondContact O-N 3.42Å; I206-V209 PolarHBondContact O-N 2.74Å; I206-V210 HydrophobicContact CG2-CG2 4.36Å; I206-V210 WeakPolarHBondContact O-CG2 3.37Å; I206-V210 PolarHBondContact O-N 3.15Å; I206-Y244 HydrophobicContact CD1-CD2 3.71Å; I206-Y244 HydrophobicContact CD1-CE2 3.97Å; I206-F249 HydrophobicContact CD1-CD2 3.55Å; I206-F249 HydrophobicContact CD1-CE2 3.75Å; I206-F249 HydrophobicContact CD1-CG 4.14Å; I206-F249 HydrophobicContact CD1-CZ 4.47Å; I206-F249 HydrophobicContact CG1-CD2 3.57Å; I206-F249 HydrophobicContact CG1-CE2 3.17Å; I206-F249 HydrophobicContact CG1-CG 4.39Å; I206-F249 HydrophobicContact CG1-CZ 3.72Å; I206-C252 HydrophobicContact CD1-CB 3.68Å; I206-L253 HydrophobicContact CG2-CD2 4.01Å; I206-Y256 HydrophobicContact CG2-CE2 4.47Å
207	E	75.6	Confident	71.3	Confident	50 Å²	50	41 Å²	41	23%	0.234	21%	0.205	C	C	.	.	H	α-helix	trans	-57	-51.3	175.5	-179.5	165	-161.1	0	0	110.8	V203 N204 V209 V210 L211 F232	V203-E207 PolarHBondContact O-N 2.92Å; N204-E207 PolarHBondContact O-N 3.02Å; E207-V209 PolarHBondContact O-N 3.36Å; E207-V210 PolarHBondContact O-N 2.86Å; E207-L211 HydrophobicContact CG-CD1 3.51Å; E207-L211 HydrophobicContact CG-CG 4.08Å; E207-L211 WeakPolarHBondContact O-CB 3.41Å; E207-L211 VanDerWaalsContact O-CG 3.3Å; E207-L211 WeakPolarHBondContact O-CG 2.79Å; E207-L211 PolarHBondContact O-N 3Å; E207-F232 HydrophobicContact CB-CE2 3.82Å; E207-F232 HydrophobicContact CB-CZ 3.58Å; E207-F232 VanDerWaalsContact CD-CZ 3.46Å; E207-F232 HydrophobicContact CG-CE1 4.1Å; E207-F232 HydrophobicContact CG-CE2 3.98Å; E207-F232 HydrophobicContact CG-CZ 3.38Å
208	D	76.8	Confident	71.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-49.1	175.6	-78.8	-6.4	0	0	0	112.6	N204 V210 T212 F279 N947 Y948 L949	N204-D208 PolarHBondContact O-N 3.36Å; D208-V210 PolarHBondContact O-N 3.4Å; D208-T212 VanDerWaalsContact O-CB 3.29Å; D208-T212 WeakPolarHBondContact O-CB 3.5Å; D208-T212 VanDerWaalsContact O-CG2 3.28Å; D208-T212 WeakPolarHBondContact O-CG2 3.39Å; D208-T212 PolarHBondContact O-N 3.39Å; D208-T212 PolarHBondContact O-OG1 2.92Å; D208-F279 HydrophobicContact CB-CZ 4.22Å; D208-N947 WeakPolarHBondContact OD1-CA 3.47Å; D208-N947 PolarHBondContact OD1-OD1 3.44Å; D208-N947 VanDerWaalsContact OD1-OD1 3.04Å; D208-Y948 WeakPolarHBondContact OD2-CB 3.43Å; D208-Y948 PolarHBondContact OD2-N 3.43Å; D208-L949 HydrophobicContact CB-CD1 3.93Å; D208-L949 HydrophobicContact CB-CG 4.2Å
209	V	82.6	Confident	71.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-45.4	-179.1	169.2	0	0	0	0	111	M205 I206 E207 T212 F213 F268 H271 L272 C275 M276 F279	M205-V209 WeakPolarHBondContact O-CG2 3.05Å; M205-V209 PolarHBondContact O-N 3.46Å; M205-V209 VanDerWaalsContact O-N 3.08Å; I206-V209 PolarHBondContact O-N 2.74Å; E207-V209 PolarHBondContact O-N 3.36Å; V209-T212 PolarHBondContact O-OG1 3.19Å; V209-F213 VanDerWaalsContact O-CB 3.25Å; V209-F213 WeakPolarHBondContact O-CB 3.17Å; V209-F213 PolarHBondContact O-N 2.78Å; V209-F268 HydrophobicContact CG1-CE2 4.09Å; V209-F268 HydrophobicContact CG1-CZ 4.27Å; V209-H271 PolarHBondContact O-NE2 3.49Å; V209-L272 HydrophobicContact CG1-CD1 3.93Å; V209-L272 HydrophobicContact CG2-CD1 4.43Å; V209-C275 HydrophobicContact CG2-CB 3.8Å; V209-M276 HydrophobicContact CG2-CE 4.33Å; V209-F279 HydrophobicContact CG2-CE2 3.66Å; V209-F279 HydrophobicContact CG2-CZ 3.83Å
210	V	79.5	Confident	72.3	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-72.5	-46.3	-176.5	174.9	0	0	0	0	110.8	I206 E207 D208 F213 M214 Y256	I206-V210 HydrophobicContact CG2-CG2 4.36Å; I206-V210 WeakPolarHBondContact O-CG2 3.37Å; I206-V210 PolarHBondContact O-N 3.15Å; E207-V210 PolarHBondContact O-N 2.86Å; D208-V210 PolarHBondContact O-N 3.4Å; V210-F213 PolarHBondContact O-N 2.83Å; V210-M214 HydrophobicContact CG1-CE 3.98Å; V210-M214 HydrophobicContact CG1-SD 4.3Å; V210-M214 VanDerWaalsContact O-CG 3.3Å; V210-M214 WeakPolarHBondContact O-CG 3.48Å; V210-M214 PolarHBondContact O-N 3.4Å; V210-Y256 HydrophobicContact CG1-CD1 4.44Å; V210-Y256 HydrophobicContact CG1-CE1 4.35Å; V210-Y256 HydrophobicContact CG2-CD2 4.12Å; V210-Y256 HydrophobicContact CG2-CE2 4.18Å; V210-Y256 HydrophobicContact CG2-CG 4.35Å
211	L	77.9	Confident	72.7	Confident	54 Å²	54	33.7 Å²	33.7	28%	0.283	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-50.9	177.6	-70.6	177.3	0	0	0	111	E207 F213 M214 E215	E207-L211 HydrophobicContact CG-CD1 3.51Å; E207-L211 HydrophobicContact CG-CG 4.08Å; E207-L211 WeakPolarHBondContact O-CB 3.41Å; E207-L211 VanDerWaalsContact O-CG 3.3Å; E207-L211 WeakPolarHBondContact O-CG 2.79Å; E207-L211 PolarHBondContact O-N 3Å; L211-F213 VanDerWaalsContact C-N 3.32Å; L211-F213 PolarHBondContact O-N 2.71Å; L211-M214 HydrophobicContact CD2-CE 3.7Å; L211-M214 PolarHBondContact O-N 3.12Å; L211-M214 VanDerWaalsContact O-N 3.16Å; L211-E215 WeakPolarHBondContact O-CG 3.3Å; L211-E215 PolarHBondContact O-N 3.5Å
212	T	79	Confident	73.1	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-36.7	178.1	54.8	0	0	0	0	112.4	D208 V209 M214 E215 L216 H271 L949 Y950	D208-T212 VanDerWaalsContact O-CB 3.29Å; D208-T212 WeakPolarHBondContact O-CB 3.5Å; D208-T212 VanDerWaalsContact O-CG2 3.28Å; D208-T212 WeakPolarHBondContact O-CG2 3.39Å; D208-T212 PolarHBondContact O-N 3.39Å; D208-T212 PolarHBondContact O-OG1 2.92Å; V209-T212 PolarHBondContact O-OG1 3.19Å; T212-M214 VanDerWaalsContact C-N 3.33Å; T212-M214 PolarHBondContact O-N 3.5Å; T212-E215 PolarHBondContact O-N 2.85Å; T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 WeakPolarHBondContact O-CD1 3.48Å; T212-L216 WeakPolarHBondContact O-CG 3.49Å; T212-L216 PolarHBondContact O-N 3.02Å; T212-H271 PolarHBondContact OG1-CE1 3.31Å; T212-H271 VanDerWaalsContact OG1-CE1 3.27Å; T212-H271 PolarHBondContact OG1-NE2 3Å; T212-H271 VanDerWaalsContact OG1-NE2 3.09Å; T212-L949 HydrophobicContact CG2-CB 4.33Å; T212-L949 HydrophobicContact CG2-CD1 3.61Å; T212-Y950 HydrophobicContact CG2-CE2 3.86Å
213	F	84.1	Confident	73.1	Confident	4 Å²	4	44 Å²	44	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-42.3	175.6	-175.6	-115	0	0	0	111.9	V209 V210 L211 T217 M260 V264 Q267 F268 H271	V209-F213 VanDerWaalsContact O-CB 3.25Å; V209-F213 WeakPolarHBondContact O-CB 3.17Å; V209-F213 PolarHBondContact O-N 2.78Å; V210-F213 PolarHBondContact O-N 2.83Å; L211-F213 VanDerWaalsContact C-N 3.32Å; L211-F213 PolarHBondContact O-N 2.71Å; F213-T217 WeakPolarHBondContact CD2-OG1 3.46Å; F213-T217 VanDerWaalsContact CE2-OG1 3.23Å; F213-T217 WeakPolarHBondContact CE2-OG1 3.3Å; F213-T217 HydrophobicContact CZ-CG2 4.4Å; F213-T217 VanDerWaalsContact O-CB 3.25Å; F213-T217 WeakPolarHBondContact O-CB 3.41Å; F213-T217 PolarHBondContact O-N 3.48Å; F213-T217 VanDerWaalsContact O-N 3.09Å; F213-T217 PolarHBondContact O-OG1 3.01Å; F213-M260 HydrophobicContact CD1-CE 4.28Å; F213-M260 HydrophobicContact CE1-CE 3.93Å; F213-M260 HydrophobicContact CE1-SD 4.34Å; F213-V264 HydrophobicContact CE1-CG1 4.35Å; F213-V264 HydrophobicContact CZ-CG1 4.26Å; F213-Q267 HydrophobicContact CE2-CB 4.35Å; F213-Q267 HydrophobicContact CZ-CB 4.48Å; F213-F268 HydrophobicContact CB-CD2 4.36Å; F213-F268 HydrophobicContact CB-CE2 4.49Å; F213-F268 AromaticContact CD1-CD2 3.67Å; F213-F268 HydrophobicContact CD1-CD2 3.67Å; F213-F268 HydrophobicContact CD1-CE2 4.32Å; F213-F268 AromaticContact CD2-CD2 3.98Å; F213-F268 HydrophobicContact CD2-CD2 3.98Å; F213-F268 HydrophobicContact CE1-CB 4.11Å; F213-F268 AromaticContact CE1-CD2 3.86Å; F213-F268 HydrophobicContact CE1-CD2 3.86Å; F213-F268 HydrophobicContact CE1-CG 4.42Å; F213-F268 VanDerWaalsContact CE2-CA 3.49Å; F213-F268 HydrophobicContact CE2-CB 3.99Å; F213-F268 HydrophobicContact CE2-CD2 4.16Å; F213-F268 AromaticContact CG-CD2 3.73Å; F213-F268 HydrophobicContact CG-CD2 3.73Å; F213-F268 HydrophobicContact CG-CE2 4.31Å; F213-F268 HydrophobicContact CZ-CB 3.7Å; F213-F268 HydrophobicContact CZ-CD2 4.1Å; F213-F268 HydrophobicContact CZ-CG 4.41Å; F213-H271 HydrophobicContact CD2-CB 3.71Å; F213-H271 AromaticContact CD2-CD2 3.72Å; F213-H271 AromaticContact CD2-CG 3.69Å; F213-H271 HydrophobicContact CE2-CB 4.17Å; F213-H271 PolarHBondContact N-NE2 3.31Å
214	M	76	Confident	73	Confident	15 Å²	15	46.2 Å²	46.2	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.3	-70.3	-174.5	-57.5	0	0	112.4	V210 L211 T212 K225 L228 V229	V210-M214 HydrophobicContact CG1-CE 3.98Å; V210-M214 HydrophobicContact CG1-SD 4.3Å; V210-M214 VanDerWaalsContact O-CG 3.3Å; V210-M214 WeakPolarHBondContact O-CG 3.48Å; V210-M214 PolarHBondContact O-N 3.4Å; L211-M214 HydrophobicContact CD2-CE 3.7Å; L211-M214 PolarHBondContact O-N 3.12Å; L211-M214 VanDerWaalsContact O-N 3.16Å; T212-M214 VanDerWaalsContact C-N 3.33Å; T212-M214 PolarHBondContact O-N 3.5Å; M214-K225 WeakPolarHBondContact O-CE 3.46Å; M214-L228 HydrophobicContact CG-CD1 4.22Å; M214-L228 HydrophobicContact SD-CB 3.66Å; M214-L228 HydrophobicContact SD-CD1 4.33Å; M214-V229 HydrophobicContact CE-CG2 3.71Å; M214-V229 HydrophobicContact SD-CG2 3.68Å
215	E	73.1	Confident	72.9	Confident	61 Å²	61	46.9 Å²	46.9	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-69.8	-44.3	176.5	-71.2	-175.9	125.1	0	0	111.7	L211 T212 K923 Y950	L211-E215 WeakPolarHBondContact O-CG 3.3Å; L211-E215 PolarHBondContact O-N 3.5Å; T212-E215 PolarHBondContact O-N 2.85Å; E215-K923 IonicContact OE1-NZ 2.7Å; E215-K923 PolarHBondContact OE1-NZ 2.87Å; E215-Y950 PolarHBondContact OE2-OH 3.47Å
216	L	70.6	Confident	72.6	Confident	41 Å²	41	50.9 Å²	50.9	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-81.8	-22.3	-171.5	-62	172.4	0	0	0	113.9	T212 S218 L968 R970	T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 WeakPolarHBondContact O-CD1 3.48Å; T212-L216 WeakPolarHBondContact O-CG 3.49Å; T212-L216 PolarHBondContact O-N 3.02Å; L216-S218 PolarHBondContact O-N 3.5Å; L216-L968 HydrophobicContact CD1-CD1 3.72Å; L216-R970 VanDerWaalsContact CD2-CZ 3.5Å
217	T	69.2	Low	72.3	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.092	29%	0.288	C	S	.	.			trans	-89.1	97.2	-174.8	-50.5	0	0	0	0	111.3	F213 K219 L220	F213-T217 WeakPolarHBondContact CD2-OG1 3.46Å; F213-T217 VanDerWaalsContact CE2-OG1 3.23Å; F213-T217 WeakPolarHBondContact CE2-OG1 3.3Å; F213-T217 HydrophobicContact CZ-CG2 4.4Å; F213-T217 VanDerWaalsContact O-CB 3.25Å; F213-T217 WeakPolarHBondContact O-CB 3.41Å; F213-T217 PolarHBondContact O-N 3.48Å; F213-T217 VanDerWaalsContact O-N 3.09Å; F213-T217 PolarHBondContact O-OG1 3.01Å; T217-K219 VanDerWaalsContact C-N 3.27Å; T217-K219 PolarHBondContact O-N 2.99Å; T217-L220 HydrophobicContact CG2-CB 4.1Å
218	S	60	Low	72	Confident	111 Å²	111	56.8 Å²	56.8	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	177.3	59.5	0	0	0	0	114	L216	L216-S218 PolarHBondContact O-N 3.5Å
219	K	59.8	Low	71.6	Confident	163 Å²	163	59 Å²	59	71%	0.709	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	-176.5	-67.4	-175.9	178.8	178.2	0	114.7	T217 P221	T217-K219 VanDerWaalsContact C-N 3.27Å; T217-K219 PolarHBondContact O-N 2.99Å; K219-P221 WeakPolarHBondContact O-CD 3.48Å
220	L	66.6	Low	71	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.042	32%	0.318	C	S	.	.	S	Bend	trans	-82.7	121.6	-176.8	-168.3	68.2	0	0	0	109.8	T217 E222 M224 K225 L228 V264	T217-L220 HydrophobicContact CG2-CB 4.1Å; L220-E222 PolarHBondContact O-N 3.15Å; L220-M224 HydrophobicContact CD1-CB 3.91Å; L220-M224 HydrophobicContact CD1-CE 3.83Å; L220-M224 HydrophobicContact CD1-SD 4.15Å; L220-M224 HydrophobicContact CG-CB 4.03Å; L220-K225 HydrophobicContact CB-CG 4.32Å; L220-K225 HydrophobicContact CD2-CG 3.58Å; L220-K225 HydrophobicContact CG-CG 4.01Å; L220-L228 HydrophobicContact CD2-CD1 3.83Å; L220-V264 HydrophobicContact CD1-CG1 4.02Å
221	P	69.2	Low	70.5	Confident	65 Å²	65	65.3 Å²	65.3	42%	0.422	32%	0.322	S	S	.	.			trans	-53.2	138.3	174.6	-25	34.9	0	0	0	111.2	K219 E223 M224 K225	K219-P221 WeakPolarHBondContact O-CD 3.48Å; P221-E223 PolarHBondContact O-N 3.31Å; P221-M224 HydrophobicContact CG-CE 3.86Å; P221-M224 WeakPolarHBondContact O-CA 3.37Å; P221-M224 WeakPolarHBondContact O-CB 3.49Å; P221-M224 PolarHBondContact O-N 3.02Å; P221-K225 PolarHBondContact O-N 2.96Å; P221-K225 VanDerWaalsContact O-N 3.13Å
222	E	69.6	Low	69.9	Low	112 Å²	112	63.8 Å²	63.8	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-35.5	-176.9	-168.7	56.3	-144.3	0	0	112	L220 M224 K225 Q226	L220-E222 PolarHBondContact O-N 3.15Å; E222-M224 VanDerWaalsContact C-N 3.35Å; E222-M224 PolarHBondContact O-N 3.43Å; E222-K225 WeakPolarHBondContact O-CB 3.17Å; E222-K225 PolarHBondContact O-N 3.46Å; E222-Q226 WeakPolarHBondContact O-CG 3.34Å; E222-Q226 PolarHBondContact O-N 3.45Å
223	E	70.9	Confident	69.3	Low	145 Å²	145	70.9 Å²	70.9	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-55.2	-49.5	171.7	-64	173.2	-172.1	0	0	110.9	P221 K225 Q226 W227	P221-E223 PolarHBondContact O-N 3.31Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 PolarHBondContact O-N 3Å; E223-Q226 PolarHBondContact O-N 2.87Å; E223-W227 PolarHBondContact O-N 2.7Å
224	M	68.7	Low	68.3	Low	56 Å²	56	74.8 Å²	74.8	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-38.2	178.2	-79.3	-149.8	-90.8	0	0	112.3	L220 P221 E222 W227 L228	L220-M224 HydrophobicContact CD1-CB 3.91Å; L220-M224 HydrophobicContact CD1-CE 3.83Å; L220-M224 HydrophobicContact CD1-SD 4.15Å; L220-M224 HydrophobicContact CG-CB 4.03Å; P221-M224 HydrophobicContact CG-CE 3.86Å; P221-M224 WeakPolarHBondContact O-CA 3.37Å; P221-M224 WeakPolarHBondContact O-CB 3.49Å; P221-M224 PolarHBondContact O-N 3.02Å; E222-M224 VanDerWaalsContact C-N 3.35Å; E222-M224 PolarHBondContact O-N 3.43Å; M224-W227 PolarHBondContact O-N 2.88Å; M224-L228 VanDerWaalsContact O-CG 3.31Å; M224-L228 WeakPolarHBondContact O-CG 3.22Å; M224-L228 PolarHBondContact O-N 2.88Å
225	K	69.5	Low	67.6	Low	46 Å²	46	77.7 Å²	77.7	20%	0.2	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-48.5	174	-70.4	-179.3	-176.7	-174.8	0	111.1	M214 L220 P221 E222 E223 W227 L228 V229	M214-K225 WeakPolarHBondContact O-CE 3.46Å; L220-K225 HydrophobicContact CB-CG 4.32Å; L220-K225 HydrophobicContact CD2-CG 3.58Å; L220-K225 HydrophobicContact CG-CG 4.01Å; P221-K225 PolarHBondContact O-N 2.96Å; P221-K225 VanDerWaalsContact O-N 3.13Å; E222-K225 WeakPolarHBondContact O-CB 3.17Å; E222-K225 PolarHBondContact O-N 3.46Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 PolarHBondContact O-N 3Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-W227 PolarHBondContact O-N 3.44Å; K225-L228 PolarHBondContact O-N 3.25Å; K225-V229 WeakPolarHBondContact O-CG2 2.96Å; K225-V229 PolarHBondContact O-N 2.94Å
226	Q	71	Confident	66.7	Low	113 Å²	113	77 Å²	77	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-41.8	177.2	-68.4	178.2	6.7	0	0	112	E222 E223 V229 Q230	E222-Q226 WeakPolarHBondContact O-CG 3.34Å; E222-Q226 PolarHBondContact O-N 3.45Å; E223-Q226 PolarHBondContact O-N 2.87Å; Q226-V229 PolarHBondContact O-N 3.44Å; Q226-Q230 WeakPolarHBondContact O-CB 3.39Å; Q226-Q230 WeakPolarHBondContact O-CG 3.48Å; Q226-Q230 PolarHBondContact O-N 3.3Å
227	W	69.2	Low	65.9	Low	167 Å²	167	77.5 Å²	77.5	63%	0.633	39%	0.39	S	S	*	.	H	α-helix	trans	-62.5	-43.1	175.4	-79.8	106.2	0	0	0	112.4	E223 M224 K225 Q230 T231	E223-W227 PolarHBondContact O-N 2.7Å; M224-W227 PolarHBondContact O-N 2.88Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-W227 PolarHBondContact O-N 3.44Å; W227-Q230 PolarHBondContact O-N 2.87Å; W227-T231 VanDerWaalsContact O-CB 3.3Å; W227-T231 WeakPolarHBondContact O-CB 3.42Å; W227-T231 PolarHBondContact O-N 3.23Å; W227-T231 PolarHBondContact O-OG1 2.89Å
228	L	68.9	Low	65.3	Low	7 Å²	7	84.9 Å²	84.9	4%	0.037	42%	0.421	C	S	.	.	H	α-helix	trans	-64.6	-43.9	176.9	-70.7	170.8	0	0	0	111.4	M214 L220 M224 K225 T231 F232 Y256 L259 M260	M214-L228 HydrophobicContact CG-CD1 4.22Å; M214-L228 HydrophobicContact SD-CB 3.66Å; M214-L228 HydrophobicContact SD-CD1 4.33Å; L220-L228 HydrophobicContact CD2-CD1 3.83Å; M224-L228 VanDerWaalsContact O-CG 3.31Å; M224-L228 WeakPolarHBondContact O-CG 3.22Å; M224-L228 PolarHBondContact O-N 2.88Å; K225-L228 PolarHBondContact O-N 3.25Å; L228-T231 PolarHBondContact O-N 2.95Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 3.44Å; L228-Y256 HydrophobicContact CD2-CD1 3.8Å; L228-Y256 HydrophobicContact CD2-CG 4.5Å; L228-L259 HydrophobicContact CD2-CD1 4.25Å; L228-M260 HydrophobicContact CD1-CE 4.3Å; L228-M260 HydrophobicContact CD2-CE 4.25Å
229	V	69.1	Low	65.1	Low	49 Å²	49	84 Å²	84	30%	0.297	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-43.3	176.4	173.7	0	0	0	0	111.6	M214 K225 Q226 F232 K233	M214-V229 HydrophobicContact CE-CG2 3.71Å; M214-V229 HydrophobicContact SD-CG2 3.68Å; K225-V229 WeakPolarHBondContact O-CG2 2.96Å; K225-V229 PolarHBondContact O-N 2.94Å; Q226-V229 PolarHBondContact O-N 3.44Å; V229-F232 WeakPolarHBondContact O-CB 3.13Å; V229-F232 PolarHBondContact O-N 3.28Å; V229-K233 HydrophobicContact CG1-CD 4.3Å; V229-K233 WeakPolarHBondContact O-CG 3.2Å; V229-K233 PolarHBondContact O-N 3.24Å
230	Q	69.5	Low	64.7	Low	118 Å²	118	86.1 Å²	86.1	55%	0.551	41%	0.412	S	S	*	.	H	α-helix	trans	-65.7	-41.2	175.9	-77.7	-173.4	-1.9	0	0	111.7	Q226 W227 F232 K233 T234	Q226-Q230 WeakPolarHBondContact O-CB 3.39Å; Q226-Q230 WeakPolarHBondContact O-CG 3.48Å; Q226-Q230 PolarHBondContact O-N 3.3Å; W227-Q230 PolarHBondContact O-N 2.87Å; Q230-F232 VanDerWaalsContact C-N 3.28Å; Q230-F232 PolarHBondContact O-N 3.37Å; Q230-K233 PolarHBondContact O-N 3.22Å; Q230-T234 WeakPolarHBondContact O-CB 3.34Å; Q230-T234 VanDerWaalsContact O-CG2 3.26Å; Q230-T234 WeakPolarHBondContact O-CG2 3.4Å; Q230-T234 PolarHBondContact O-N 3.42Å; Q230-T234 PolarHBondContact O-OG1 3.34Å
231	T	68.3	Low	64.3	Low	18 Å²	18	90.7 Å²	90.7	11%	0.11	43%	0.433	C	S	.	.	H	α-helix	trans	-61.1	-41.7	175.4	-55.9	0	0	0	0	110.4	W227 L228 T234 Q235 I255 Y256 L259	W227-T231 VanDerWaalsContact O-CB 3.3Å; W227-T231 WeakPolarHBondContact O-CB 3.42Å; W227-T231 PolarHBondContact O-N 3.23Å; W227-T231 PolarHBondContact O-OG1 2.89Å; L228-T231 PolarHBondContact O-N 2.95Å; T231-T234 PolarHBondContact O-N 2.95Å; T231-T234 PolarHBondContact O-OG1 2.81Å; T231-Q235 HydrophobicContact CG2-CG 4.23Å; T231-Q235 WeakPolarHBondContact O-CB 3.43Å; T231-Q235 WeakPolarHBondContact O-CG 3.29Å; T231-Q235 PolarHBondContact O-N 3.29Å; T231-I255 HydrophobicContact CG2-CG2 3.73Å; T231-Y256 HydrophobicContact CG2-CE1 4.29Å; T231-L259 HydrophobicContact CG2-CD1 4.37Å
232	F	65.4	Low	63.9	Low	22 Å²	22	90.5 Å²	90.5	10%	0.096	44%	0.438	C	S	.	.	H	α-helix	trans	-60.4	-55.2	175.1	-176.3	-90.7	0	0	0	111.8	E207 L228 V229 Q230 T234 L236 Y256	E207-F232 HydrophobicContact CB-CE2 3.82Å; E207-F232 HydrophobicContact CB-CZ 3.58Å; E207-F232 VanDerWaalsContact CD-CZ 3.46Å; E207-F232 HydrophobicContact CG-CE1 4.1Å; E207-F232 HydrophobicContact CG-CE2 3.98Å; E207-F232 HydrophobicContact CG-CZ 3.38Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 3.44Å; V229-F232 WeakPolarHBondContact O-CB 3.13Å; V229-F232 PolarHBondContact O-N 3.28Å; Q230-F232 VanDerWaalsContact C-N 3.28Å; Q230-F232 PolarHBondContact O-N 3.37Å; F232-T234 VanDerWaalsContact C-N 3.28Å; F232-T234 PolarHBondContact O-N 3.35Å; F232-L236 HydrophobicContact CE2-CD1 4.09Å; F232-L236 HydrophobicContact CZ-CD1 4.38Å; F232-L236 HydrophobicContact CZ-CD2 4.09Å; F232-L236 WeakPolarHBondContact O-CB 3.39Å; F232-L236 PolarHBondContact O-N 2.9Å; F232-Y256 WeakPolarHBondContact CA-OH 3.25Å; F232-Y256 HydrophobicContact CB-CE1 4.2Å; F232-Y256 WeakPolarHBondContact CD2-OH 3.15Å
233	K	66	Low	63.9	Low	153 Å²	153	91 Å²	91	67%	0.665	44%	0.438	S	S	*	.	H	α-helix	trans	-60.1	-35	179.8	-72.1	-176.9	179.8	-177.4	0	113	V229 Q230	V229-K233 HydrophobicContact CG1-CD 4.3Å; V229-K233 WeakPolarHBondContact O-CG 3.2Å; V229-K233 PolarHBondContact O-N 3.24Å; Q230-K233 PolarHBondContact O-N 3.22Å
234	T	64.8	Low	63.9	Low	85 Å²	85	84.4 Å²	84.4	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-86	-35.4	-175.1	54.1	0	0	0	0	114.3	Q230 T231 F232	Q230-T234 WeakPolarHBondContact O-CB 3.34Å; Q230-T234 VanDerWaalsContact O-CG2 3.26Å; Q230-T234 WeakPolarHBondContact O-CG2 3.4Å; Q230-T234 PolarHBondContact O-N 3.42Å; Q230-T234 PolarHBondContact O-OG1 3.34Å; T231-T234 PolarHBondContact O-N 2.95Å; T231-T234 PolarHBondContact O-OG1 2.81Å; F232-T234 VanDerWaalsContact C-N 3.28Å; F232-T234 PolarHBondContact O-N 3.35Å
235	Q	60.7	Low	64.1	Low	76 Å²	76	85 Å²	85	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-87.5	-38.7	-176.2	-65.2	-156.6	19.5	0	0	112.9	T231 A237 K238 I255	T231-Q235 HydrophobicContact CG2-CG 4.23Å; T231-Q235 WeakPolarHBondContact O-CB 3.43Å; T231-Q235 WeakPolarHBondContact O-CG 3.29Å; T231-Q235 PolarHBondContact O-N 3.29Å; Q235-A237 PolarHBondContact O-N 3.41Å; Q235-K238 PolarHBondContact O-N 2.91Å; Q235-K238 VanDerWaalsContact O-N 3.07Å; Q235-I255 VanDerWaalsContact OE1-CG2 3.25Å
236	L	54.6	Low	64.2	Low	47 Å²	47	86.8 Å²	86.8	25%	0.246	42%	0.419	C	S	.	.	H	α-helix	trans	-64.8	-30.8	178.3	-141.2	95.8	0	0	0	111.8	V203 F232 K238 D239	V203-L236 HydrophobicContact CG1-CD1 3.86Å; V203-L236 HydrophobicContact CG1-CD2 3.95Å; V203-L236 HydrophobicContact CG1-CG 4.22Å; F232-L236 HydrophobicContact CE2-CD1 4.09Å; F232-L236 HydrophobicContact CZ-CD1 4.38Å; F232-L236 HydrophobicContact CZ-CD2 4.09Å; F232-L236 WeakPolarHBondContact O-CB 3.39Å; F232-L236 PolarHBondContact O-N 2.9Å; L236-K238 PolarHBondContact O-N 3.3Å; L236-D239 PolarHBondContact O-N 3.07Å
237	A	54	Low	64.5	Low	52 Å²	52	87.4 Å²	87.4	43%	0.43	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.7	175.3	0	0	0	0	0	114	Q235 Y240	Q235-A237 PolarHBondContact O-N 3.41Å; A237-Y240 WeakPolarHBondContact O-CE2 3.49Å
238	K	55.7	Low	65	Low	170 Å²	170	82.1 Å²	82.1	74%	0.739	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-28	178.1	-63.7	-175.2	-178.7	177.6	0	113.4	Q235 L236	Q235-K238 PolarHBondContact O-N 2.91Å; Q235-K238 VanDerWaalsContact O-N 3.07Å; L236-K238 PolarHBondContact O-N 3.3Å
239	D	54.9	Low	65.3	Low	92 Å²	92	82 Å²	82	49%	0.492	40%	0.403	S	S	.	.			trans	-116.6	72.9	-169.3	-68.9	-23.5	0	0	0	111.7	L236 Q241 Y244	L236-D239 PolarHBondContact O-N 3.07Å; D239-Q241 PolarHBondContact O-N 2.95Å; D239-Y244 WeakPolarHBondContact CB-OH 3.45Å; D239-Y244 PolarHBondContact O-OH 2.69Å; D239-Y244 VanDerWaalsContact O-OH 3.12Å
240	Y	52.2	Low	65.9	Low	208 Å²	208	80.1 Å²	80.1	82%	0.816	39%	0.392	S	S	*	.			trans	-71	40.4	179.4	-71.3	-86	0	0	0	115	A237	A237-Y240 WeakPolarHBondContact O-CE2 3.49Å
241	Q	57.8	Low	66.4	Low	103 Å²	103	80.2 Å²	80.2	48%	0.481	39%	0.391	S	S	.	.			trans	-92.1	111.6	168.8	-78.3	-175.6	-20.4	0	0	109	V203 D239 F243 Y244	V203-Q241 WeakPolarHBondContact CG2-O 3.35Å; D239-Q241 PolarHBondContact O-N 2.95Å; Q241-F243 PolarHBondContact O-N 3.26Å; Q241-F243 VanDerWaalsContact O-N 3.08Å; Q241-Y244 HydrophobicContact CB-CD1 4.29Å; Q241-Y244 HydrophobicContact CB-CE1 4.01Å
242	A	62.2	Low	66.8	Low	62 Å²	62	80.1 Å²	80.1	51%	0.512	39%	0.391	S	S	.	.	S	Bend	trans	-60.1	-18.6	176.7	0	0	0	0	0	113.6	N202 V203	N202-A242 WeakPolarHBondContact CA-O 3.35Å; N202-A242 PolarHBondContact OD1-O 2.79Å; V203-A242 PolarHBondContact N-O 2.92Å
243	F	69.1	Low	67.5	Low	122 Å²	122	79 Å²	79	54%	0.535	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.2	179.5	-64	-81.5	0	0	0	110.6	T201 N202 Q241	T201-F243 CarbonylContact O-C 3.58Å; T201-F243 VanDerWaalsContact O-CA 3.27Å; T201-F243 WeakPolarHBondContact O-CA 3.02Å; N202-F243 HydrophobicContact CB-CE1 4.43Å; Q241-F243 PolarHBondContact O-N 3.26Å; Q241-F243 VanDerWaalsContact O-N 3.08Å
244	Y	69.6	Low	68.3	Low	6 Å²	6	72.9 Å²	72.9	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.7	173.8	-71.7	-42.9	0	0	0	111.4	S200 T201 V203 I206 D239 Q241 Q248	S200-Y244 CarbonylContact C-O 3.58Å; S200-Y244 WeakPolarHBondContact CA-O 3.36Å; T201-Y244 PolarHBondContact N-O 2.96Å; T201-Y244 PolarHBondContact O-N 3.32Å; T201-Y244 PolarHBondContact OG1-O 3.47Å; T201-Y244 VanDerWaalsContact OG1-O 3.11Å; V203-Y244 HydrophobicContact CB-CD2 4.46Å; V203-Y244 HydrophobicContact CB-CE2 4.15Å; V203-Y244 HydrophobicContact CG1-CE2 3.95Å; V203-Y244 HydrophobicContact CG2-CD2 3.58Å; V203-Y244 HydrophobicContact CG2-CE1 4.43Å; V203-Y244 HydrophobicContact CG2-CE2 3.34Å; V203-Y244 HydrophobicContact CG2-CG 4.23Å; I206-Y244 HydrophobicContact CD1-CD2 3.71Å; I206-Y244 HydrophobicContact CD1-CE2 3.97Å; D239-Y244 WeakPolarHBondContact CB-OH 3.45Å; D239-Y244 PolarHBondContact O-OH 2.69Å; D239-Y244 VanDerWaalsContact O-OH 3.12Å; Q241-Y244 HydrophobicContact CB-CD1 4.29Å; Q241-Y244 HydrophobicContact CB-CE1 4.01Å; Y244-Q248 HydrophobicContact CD1-CB 3.74Å; Y244-Q248 HydrophobicContact CD1-CG 4.39Å; Y244-Q248 HydrophobicContact CG-CB 3.95Å
245	D	73.1	Confident	69	Low	70 Å²	70	71.3 Å²	71.3	37%	0.374	35%	0.348	S	S	.	.			trans	-70.8	172.8	162.7	73.1	30.1	0	0	0	111	E247 Q248 F249	D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 3.49Å; D245-E247 WeakPolarHBondContact OD1-CA 3.17Å; D245-E247 PolarHBondContact OD1-N 2.93Å; D245-Q248 PolarHBondContact O-N 2.79Å; D245-Q248 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q248 VanDerWaalsContact OD1-CG 3.29Å; D245-Q248 WeakPolarHBondContact OD1-CG 3.48Å; D245-Q248 PolarHBondContact OD1-N 3.48Å; D245-F249 WeakPolarHBondContact O-CB 3.39Å; D245-F249 PolarHBondContact O-N 3.17Å
246	K	72.8	Confident	69.8	Low	82 Å²	82	68 Å²	68	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-42.7	179.5	179	-175.9	165.3	-171.5	0	112.7	S187 N191 I194 V250	S187-K246 WeakPolarHBondContact OG-CE 3.33Å; N191-K246 WeakPolarHBondContact OD1-CE 3.47Å; N191-K246 PolarHBondContact OD1-NZ 2.77Å; I194-K246 HydrophobicContact CD1-CB 3.82Å; I194-K246 HydrophobicContact CD1-CG 4.04Å; K246-V250 VanDerWaalsContact O-CG2 3.29Å; K246-V250 WeakPolarHBondContact O-CG2 3.45Å; K246-V250 PolarHBondContact O-N 3.45Å
247	E	77.9	Confident	71	Confident	127 Å²	127	65.8 Å²	65.8	59%	0.593	32%	0.321	S	S	*	.	H	α-helix	trans	-69.8	-40.9	-177.4	-83.6	-163.7	-174.9	0	0	111.6	D245 V250 K251	D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 3.49Å; D245-E247 WeakPolarHBondContact OD1-CA 3.17Å; D245-E247 PolarHBondContact OD1-N 2.93Å; E247-V250 PolarHBondContact O-N 3.19Å; E247-K251 WeakPolarHBondContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CD 3.48Å; E247-K251 WeakPolarHBondContact O-CG 3.26Å; E247-K251 PolarHBondContact O-N 3.29Å; E247-K251 IonicContact OE2-NZ 2.63Å; E247-K251 PolarHBondContact OE2-NZ 3.28Å
248	Q	77.7	Confident	72.2	Confident	55 Å²	55	72.5 Å²	72.5	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-46	177	-70.7	174.7	-31.1	0	0	110.6	Y244 D245 V250 K251 C252	Y244-Q248 HydrophobicContact CD1-CB 3.74Å; Y244-Q248 HydrophobicContact CD1-CG 4.39Å; Y244-Q248 HydrophobicContact CG-CB 3.95Å; D245-Q248 PolarHBondContact O-N 2.79Å; D245-Q248 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q248 VanDerWaalsContact OD1-CG 3.29Å; D245-Q248 WeakPolarHBondContact OD1-CG 3.48Å; D245-Q248 PolarHBondContact OD1-N 3.48Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 3.07Å; Q248-K251 PolarHBondContact O-N 3.14Å; Q248-K251 VanDerWaalsContact O-N 3.13Å; Q248-C252 PolarHBondContact O-N 3.5Å; Q248-C252 PolarHBondContact O-SG 3.48Å
249	F	77	Confident	73.2	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-45.4	177.5	-167.4	-87.8	0	0	0	111.9	T201 M205 I206 D245 C252 L253	T201-F249 WeakPolarHBondContact OG1-CD2 3.29Å; M205-F249 HydrophobicContact CB-CE2 4.47Å; I206-F249 HydrophobicContact CD1-CD2 3.55Å; I206-F249 HydrophobicContact CD1-CE2 3.75Å; I206-F249 HydrophobicContact CD1-CG 4.14Å; I206-F249 HydrophobicContact CD1-CZ 4.47Å; I206-F249 HydrophobicContact CG1-CD2 3.57Å; I206-F249 HydrophobicContact CG1-CE2 3.17Å; I206-F249 HydrophobicContact CG1-CG 4.39Å; I206-F249 HydrophobicContact CG1-CZ 3.72Å; D245-F249 WeakPolarHBondContact O-CB 3.39Å; D245-F249 PolarHBondContact O-N 3.17Å; F249-C252 PolarHBondContact O-N 3.43Å; F249-L253 HydrophobicContact CD1-CD1 3.87Å; F249-L253 HydrophobicContact CD1-CG 4.4Å; F249-L253 HydrophobicContact CE1-CD1 3.46Å; F249-L253 VanDerWaalsContact CE1-CD1 3.46Å; F249-L253 HydrophobicContact CE1-CG 4.2Å; F249-L253 HydrophobicContact CZ-CD1 4.34Å; F249-L253 PolarHBondContact O-N 2.99Å
250	V	80.2	Confident	74.4	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-44.6	175.3	175.5	0	0	0	0	111	I183 I186 K246 E247 Q248 C252 L253 M254	I183-V250 HydrophobicContact CG2-CG1 4.25Å; I186-V250 HydrophobicContact CG2-CG1 4.24Å; I186-V250 HydrophobicContact CG2-CG2 4.24Å; K246-V250 VanDerWaalsContact O-CG2 3.29Å; K246-V250 WeakPolarHBondContact O-CG2 3.45Å; K246-V250 PolarHBondContact O-N 3.45Å; E247-V250 PolarHBondContact O-N 3.19Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 3.07Å; V250-C252 VanDerWaalsContact C-N 3.3Å; V250-C252 PolarHBondContact O-N 2.79Å; V250-L253 PolarHBondContact O-N 2.97Å; V250-M254 HydrophobicContact CG1-CG 4.19Å; V250-M254 WeakPolarHBondContact O-CB 3.47Å; V250-M254 VanDerWaalsContact O-CG 3.23Å; V250-M254 WeakPolarHBondContact O-CG 2.99Å; V250-M254 PolarHBondContact O-N 3.4Å
251	K	80.9	Confident	75.8	Confident	119 Å²	119	58 Å²	58	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-41.2	177.4	-74.8	164.6	-168.3	161.7	0	111.6	E247 Q248 M254 I255	E247-K251 WeakPolarHBondContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CD 3.48Å; E247-K251 WeakPolarHBondContact O-CG 3.26Å; E247-K251 PolarHBondContact O-N 3.29Å; E247-K251 IonicContact OE2-NZ 2.63Å; E247-K251 PolarHBondContact OE2-NZ 3.28Å; Q248-K251 PolarHBondContact O-N 3.14Å; Q248-K251 VanDerWaalsContact O-N 3.13Å; K251-M254 PolarHBondContact O-N 3.31Å; K251-I255 PolarHBondContact O-N 2.8Å
252	C	77.1	Confident	76.9	Confident	16 Å²	16	57.4 Å²	57.4	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-48.1	175.8	-68.6	0	0	0	0	112.2	I206 Q248 F249 V250 M254 I255 Y256	I206-C252 HydrophobicContact CD1-CB 3.68Å; Q248-C252 PolarHBondContact O-N 3.5Å; Q248-C252 PolarHBondContact O-SG 3.48Å; F249-C252 PolarHBondContact O-N 3.43Å; V250-C252 VanDerWaalsContact C-N 3.3Å; V250-C252 PolarHBondContact O-N 2.79Å; C252-M254 VanDerWaalsContact C-N 3.28Å; C252-M254 PolarHBondContact O-N 3.32Å; C252-I255 WeakPolarHBondContact O-CB 3.3Å; C252-I255 PolarHBondContact O-N 3.08Å; C252-Y256 WeakPolarHBondContact O-CD2 3.1Å; C252-Y256 WeakPolarHBondContact O-CE2 3.22Å
253	L	80.1	Confident	77.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-33.7	176.7	-69.8	179.4	0	0	0	112.6	I186 I206 F249 V250 I255 Y256 A257 F268 L272	I186-L253 HydrophobicContact CD1-CB 4.48Å; I186-L253 HydrophobicContact CG2-CB 4.3Å; I186-L253 HydrophobicContact CG2-CD1 3.87Å; I206-L253 HydrophobicContact CG2-CD2 4.01Å; F249-L253 HydrophobicContact CD1-CD1 3.87Å; F249-L253 HydrophobicContact CD1-CG 4.4Å; F249-L253 HydrophobicContact CE1-CD1 3.46Å; F249-L253 VanDerWaalsContact CE1-CD1 3.46Å; F249-L253 HydrophobicContact CE1-CG 4.2Å; F249-L253 HydrophobicContact CZ-CD1 4.34Å; F249-L253 PolarHBondContact O-N 2.99Å; V250-L253 PolarHBondContact O-N 2.97Å; L253-I255 VanDerWaalsContact C-N 3.27Å; L253-I255 PolarHBondContact O-N 3.01Å; L253-Y256 PolarHBondContact O-N 3.25Å; L253-Y256 VanDerWaalsContact O-N 3.15Å; L253-A257 PolarHBondContact O-N 3.2Å; L253-F268 HydrophobicContact CD2-CZ 4.15Å; L253-L272 HydrophobicContact CD1-CD1 4.01Å; L253-L272 HydrophobicContact CD1-CD2 4.32Å
254	M	82.7	Confident	78.6	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-27.4	178	-77	-56.9	-52.9	0	0	113.7	Q182 I183 I186 V250 K251 C252 Y256 A257 R258	Q182-M254 HydrophobicContact CB-CE 3.89Å; Q182-M254 HydrophobicContact CB-SD 4.05Å; I183-M254 HydrophobicContact CG1-CE 3.89Å; I183-M254 HydrophobicContact CG1-CG 3.78Å; I183-M254 HydrophobicContact CG1-SD 3.66Å; I186-M254 HydrophobicContact CD1-CG 4.49Å; I186-M254 HydrophobicContact CD1-SD 3.59Å; I186-M254 VanDerWaalsContact CD1-SD 3.59Å; V250-M254 HydrophobicContact CG1-CG 4.19Å; V250-M254 WeakPolarHBondContact O-CB 3.47Å; V250-M254 VanDerWaalsContact O-CG 3.23Å; V250-M254 WeakPolarHBondContact O-CG 2.99Å; V250-M254 PolarHBondContact O-N 3.4Å; K251-M254 PolarHBondContact O-N 3.31Å; C252-M254 VanDerWaalsContact C-N 3.28Å; C252-M254 PolarHBondContact O-N 3.32Å; M254-Y256 VanDerWaalsContact C-N 3.25Å; M254-Y256 PolarHBondContact O-N 3.27Å; M254-A257 HydrophobicContact CE-CB 4.48Å; M254-A257 HydrophobicContact SD-CB 4.28Å; M254-R258 VanDerWaalsContact O-CB 3.29Å; M254-R258 WeakPolarHBondContact O-CB 3.43Å; M254-R258 PolarHBondContact O-N 3.37Å
255	I	79.4	Confident	79.4	Confident	52 Å²	52	55.2 Å²	55.2	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-41.9	173.3	-71.9	155.2	0	0	0	110.2	T231 Q235 K251 C252 L253	T231-I255 HydrophobicContact CG2-CG2 3.73Å; Q235-I255 VanDerWaalsContact OE1-CG2 3.25Å; K251-I255 PolarHBondContact O-N 2.8Å; C252-I255 WeakPolarHBondContact O-CB 3.3Å; C252-I255 PolarHBondContact O-N 3.08Å; L253-I255 VanDerWaalsContact C-N 3.27Å; L253-I255 PolarHBondContact O-N 3.01Å
256	Y	77	Confident	80	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-77.9	-45.1	178.5	-56.2	-77.8	0	0	0	111.7	I206 V210 L228 T231 F232 C252 L253 M254 R258 L259	I206-Y256 HydrophobicContact CG2-CE2 4.47Å; V210-Y256 HydrophobicContact CG1-CD1 4.44Å; V210-Y256 HydrophobicContact CG1-CE1 4.35Å; V210-Y256 HydrophobicContact CG2-CD2 4.12Å; V210-Y256 HydrophobicContact CG2-CE2 4.18Å; V210-Y256 HydrophobicContact CG2-CG 4.35Å; L228-Y256 HydrophobicContact CD2-CD1 3.8Å; L228-Y256 HydrophobicContact CD2-CG 4.5Å; T231-Y256 HydrophobicContact CG2-CE1 4.29Å; F232-Y256 WeakPolarHBondContact CA-OH 3.25Å; F232-Y256 HydrophobicContact CB-CE1 4.2Å; F232-Y256 WeakPolarHBondContact CD2-OH 3.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.1Å; C252-Y256 WeakPolarHBondContact O-CE2 3.22Å; L253-Y256 PolarHBondContact O-N 3.25Å; L253-Y256 VanDerWaalsContact O-N 3.15Å; M254-Y256 VanDerWaalsContact C-N 3.25Å; M254-Y256 PolarHBondContact O-N 3.27Å; Y256-R258 PolarHBondContact O-N 2.66Å; Y256-L259 WeakPolarHBondContact O-CB 3.26Å; Y256-L259 PolarHBondContact O-N 2.66Å
257	A	79.9	Confident	80.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-36.4	-179.3	0	0	0	0	0	112.9	I186 L253 M254 L259 M260 F265	I186-A257 HydrophobicContact CD1-CB 4.17Å; L253-A257 PolarHBondContact O-N 3.2Å; M254-A257 HydrophobicContact CE-CB 4.48Å; M254-A257 HydrophobicContact SD-CB 4.28Å; A257-L259 PolarHBondContact O-N 3.11Å; A257-M260 PolarHBondContact O-N 3.06Å; A257-M260 VanDerWaalsContact O-N 3.1Å; A257-F265 HydrophobicContact CB-CD2 3.77Å; A257-F265 HydrophobicContact CB-CE2 3.6Å
258	R	79	Confident	81.1	Confident	192 Å²	192	52.1 Å²	52.1	73%	0.725	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.8	178.6	179.8	176	157.2	131.7	0.1	113.4	M254 Y256	M254-R258 VanDerWaalsContact O-CB 3.29Å; M254-R258 WeakPolarHBondContact O-CB 3.43Å; M254-R258 PolarHBondContact O-N 3.37Å; Y256-R258 PolarHBondContact O-N 2.66Å
259	L	76.7	Confident	81.4	Confident	89 Å²	89	50 Å²	50	47%	0.466	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.7	178.6	-60.2	173.1	0	0	0	112.6	L228 T231 Y256 A257	L228-L259 HydrophobicContact CD2-CD1 4.25Å; T231-L259 HydrophobicContact CG2-CD1 4.37Å; Y256-L259 WeakPolarHBondContact O-CB 3.26Å; Y256-L259 PolarHBondContact O-N 2.66Å; A257-L259 PolarHBondContact O-N 3.11Å
260	M	80.5	Confident	81.9	Confident	19 Å²	19	54.1 Å²	54.1	9%	0.094	27%	0.267	C	S	.	.	S	Bend	trans	-94.6	147.3	-172.6	-60.9	178.6	-175.9	0	0	111.7	F213 L228 A257 V264 F265 F268	F213-M260 HydrophobicContact CD1-CE 4.28Å; F213-M260 HydrophobicContact CE1-CE 3.93Å; F213-M260 HydrophobicContact CE1-SD 4.34Å; L228-M260 HydrophobicContact CD1-CE 4.3Å; L228-M260 HydrophobicContact CD2-CE 4.25Å; A257-M260 PolarHBondContact O-N 3.06Å; A257-M260 VanDerWaalsContact O-N 3.1Å; M260-V264 HydrophobicContact CB-CB 4.13Å; M260-V264 HydrophobicContact CB-CG1 3.94Å; M260-V264 HydrophobicContact CG-CG1 3.9Å; M260-V264 HydrophobicContact SD-CG1 3.97Å; M260-F265 HydrophobicContact CB-CB 4.44Å; M260-F268 HydrophobicContact CE-CD2 4.06Å; M260-F268 HydrophobicContact CE-CE2 4.43Å; M260-F268 HydrophobicContact CE-CG 4.16Å; M260-F268 HydrophobicContact SD-CB 3.84Å; M260-F268 HydrophobicContact SD-CD1 4.31Å; M260-F268 HydrophobicContact SD-CD2 4.4Å; M260-F268 HydrophobicContact SD-CG 3.93Å
261	S	81.8	Confident	82.3	Confident	58 Å²	58	54.4 Å²	54.4	41%	0.406	27%	0.267	S	S	.	.			trans	-70	164.1	165.8	66.8	0	0	0	0	110.8	D263 V264 F265	S261-D263 VanDerWaalsContact C-N 3.3Å; S261-D263 PolarHBondContact O-N 2.95Å; S261-V264 PolarHBondContact O-N 3.13Å; S261-V264 VanDerWaalsContact O-N 3.16Å; S261-V264 WeakPolarHBondContact OG-CG2 3.29Å; S261-F265 WeakPolarHBondContact O-CB 3.03Å; S261-F265 PolarHBondContact O-N 2.81Å
262	T	81.4	Confident	82.6	Confident	90 Å²	90	48.8 Å²	48.8	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-55.2	-42.9	-179.9	-46.1	0	0	0	0	112.5	F265 E266	T262-F265 PolarHBondContact O-N 3.18Å; T262-E266 PolarHBondContact O-N 2.8Å
263	D	82.5	Confident	83.1	Confident	114 Å²	114	53.8 Å²	53.8	61%	0.61	26%	0.26	S	S	*	.	H	α-helix	trans	-67.7	-37.4	179.5	-56.5	-27.3	0	0	0	112.7	S261 E266 Q267	S261-D263 VanDerWaalsContact C-N 3.3Å; S261-D263 PolarHBondContact O-N 2.95Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-Q267 PolarHBondContact O-N 2.8Å
264	V	83.2	Confident	83.4	Confident	17 Å²	17	56.9 Å²	56.9	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-72	-37.2	177.2	176.1	0	0	0	0	110.1	F213 L220 M260 S261 E266 Q267 F268	F213-V264 HydrophobicContact CE1-CG1 4.35Å; F213-V264 HydrophobicContact CZ-CG1 4.26Å; L220-V264 HydrophobicContact CD1-CG1 4.02Å; M260-V264 HydrophobicContact CB-CB 4.13Å; M260-V264 HydrophobicContact CB-CG1 3.94Å; M260-V264 HydrophobicContact CG-CG1 3.9Å; M260-V264 HydrophobicContact SD-CG1 3.97Å; S261-V264 PolarHBondContact O-N 3.13Å; S261-V264 VanDerWaalsContact O-N 3.16Å; S261-V264 WeakPolarHBondContact OG-CG2 3.29Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.96Å; V264-Q267 PolarHBondContact O-N 3.25Å; V264-F268 WeakPolarHBondContact O-CB 3.39Å; V264-F268 PolarHBondContact O-N 2.9Å
265	F	86	Confident	83.6	Confident	14 Å²	14	55.8 Å²	55.8	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-35.9	175.1	-179.1	-98.4	0	0	0	112.3	Q182 I185 I186 A257 M260 S261 T262 F268 T269	Q182-F265 HydrophobicContact CB-CE1 4.26Å; Q182-F265 HydrophobicContact CB-CE2 4.11Å; Q182-F265 HydrophobicContact CB-CZ 3.7Å; Q182-F265 HydrophobicContact CG-CD1 4.19Å; Q182-F265 HydrophobicContact CG-CD2 4.41Å; Q182-F265 HydrophobicContact CG-CE1 3.74Å; Q182-F265 HydrophobicContact CG-CE2 3.97Å; Q182-F265 HydrophobicContact CG-CZ 3.61Å; I185-F265 HydrophobicContact CD1-CE1 4.22Å; I186-F265 HydrophobicContact CD1-CE2 3.93Å; I186-F265 HydrophobicContact CD1-CZ 4.19Å; I186-F265 HydrophobicContact CG1-CE2 4.43Å; I186-F265 HydrophobicContact CG1-CZ 4.29Å; A257-F265 HydrophobicContact CB-CD2 3.77Å; A257-F265 HydrophobicContact CB-CE2 3.6Å; M260-F265 HydrophobicContact CB-CB 4.44Å; S261-F265 WeakPolarHBondContact O-CB 3.03Å; S261-F265 PolarHBondContact O-N 2.81Å; T262-F265 PolarHBondContact O-N 3.18Å; F265-F268 PolarHBondContact O-N 2.91Å; F265-T269 WeakPolarHBondContact CE1-OG1 3.28Å; F265-T269 WeakPolarHBondContact O-CB 3.48Å; F265-T269 PolarHBondContact O-N 2.84Å; F265-T269 PolarHBondContact O-OG1 3.17Å
266	E	86.4	Confident	83.8	Confident	139 Å²	139	53.5 Å²	53.5	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-64.1	-45.1	174.4	-174.1	171.7	-166.6	0	0	111.7	T262 D263 V264 F268 T269 E270	T262-E266 PolarHBondContact O-N 2.8Å; D263-E266 PolarHBondContact O-N 3.36Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.96Å; E266-F268 VanDerWaalsContact C-N 3.34Å; E266-F268 PolarHBondContact O-N 2.82Å; E266-T269 WeakPolarHBondContact O-CB 3.47Å; E266-T269 PolarHBondContact O-N 2.88Å; E266-E270 PolarHBondContact O-N 2.72Å
267	Q	85.5	Confident	84.2	Confident	74 Å²	74	56.8 Å²	56.8	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-42	174.2	-68.8	172.4	37.1	0	0	111.9	F213 D263 V264 T269 E270 H271	F213-Q267 HydrophobicContact CE2-CB 4.35Å; F213-Q267 HydrophobicContact CZ-CB 4.48Å; D263-Q267 PolarHBondContact O-N 2.8Å; V264-Q267 PolarHBondContact O-N 3.25Å; Q267-T269 VanDerWaalsContact C-N 3.3Å; Q267-T269 PolarHBondContact O-N 2.87Å; Q267-E270 PolarHBondContact O-N 2.84Å; Q267-H271 WeakPolarHBondContact O-CB 3.49Å; Q267-H271 PolarHBondContact O-N 3.37Å
268	F	87.4	Confident	84.4	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-39.1	175.2	-178.6	-109.8	0	0	0	111.9	V209 F213 L253 M260 V264 F265 E266 E270 H271 L272	V209-F268 HydrophobicContact CG1-CE2 4.09Å; V209-F268 HydrophobicContact CG1-CZ 4.27Å; F213-F268 HydrophobicContact CB-CD2 4.36Å; F213-F268 HydrophobicContact CB-CE2 4.49Å; F213-F268 AromaticContact CD1-CD2 3.67Å; F213-F268 HydrophobicContact CD1-CD2 3.67Å; F213-F268 HydrophobicContact CD1-CE2 4.32Å; F213-F268 AromaticContact CD2-CD2 3.98Å; F213-F268 HydrophobicContact CD2-CD2 3.98Å; F213-F268 HydrophobicContact CE1-CB 4.11Å; F213-F268 AromaticContact CE1-CD2 3.86Å; F213-F268 HydrophobicContact CE1-CD2 3.86Å; F213-F268 HydrophobicContact CE1-CG 4.42Å; F213-F268 VanDerWaalsContact CE2-CA 3.49Å; F213-F268 HydrophobicContact CE2-CB 3.99Å; F213-F268 HydrophobicContact CE2-CD2 4.16Å; F213-F268 AromaticContact CG-CD2 3.73Å; F213-F268 HydrophobicContact CG-CD2 3.73Å; F213-F268 HydrophobicContact CG-CE2 4.31Å; F213-F268 HydrophobicContact CZ-CB 3.7Å; F213-F268 HydrophobicContact CZ-CD2 4.1Å; F213-F268 HydrophobicContact CZ-CG 4.41Å; L253-F268 HydrophobicContact CD2-CZ 4.15Å; M260-F268 HydrophobicContact CE-CD2 4.06Å; M260-F268 HydrophobicContact CE-CE2 4.43Å; M260-F268 HydrophobicContact CE-CG 4.16Å; M260-F268 HydrophobicContact SD-CB 3.84Å; M260-F268 HydrophobicContact SD-CD1 4.31Å; M260-F268 HydrophobicContact SD-CD2 4.4Å; M260-F268 HydrophobicContact SD-CG 3.93Å; V264-F268 WeakPolarHBondContact O-CB 3.39Å; V264-F268 PolarHBondContact O-N 2.9Å; F265-F268 PolarHBondContact O-N 2.91Å; E266-F268 VanDerWaalsContact C-N 3.34Å; E266-F268 PolarHBondContact O-N 2.82Å; F268-E270 VanDerWaalsContact C-N 3.34Å; F268-H271 PolarHBondContact O-N 3.25Å; F268-L272 VanDerWaalsContact O-CB 3.25Å; F268-L272 WeakPolarHBondContact O-CB 3.5Å; F268-L272 PolarHBondContact O-N 3.5Å
269	T	85.9	Confident	84.6	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-41.6	177	-61.1	0	0	0	0	111.1	I185 I189 F265 E266 Q267 L272 R273	I185-T269 HydrophobicContact CG2-CG2 3.58Å; I189-T269 HydrophobicContact CD1-CG2 3.56Å; F265-T269 WeakPolarHBondContact CE1-OG1 3.28Å; F265-T269 WeakPolarHBondContact O-CB 3.48Å; F265-T269 PolarHBondContact O-N 2.84Å; F265-T269 PolarHBondContact O-OG1 3.17Å; E266-T269 WeakPolarHBondContact O-CB 3.47Å; E266-T269 PolarHBondContact O-N 2.88Å; Q267-T269 VanDerWaalsContact C-N 3.3Å; Q267-T269 PolarHBondContact O-N 2.87Å; T269-L272 PolarHBondContact O-N 3.34Å; T269-R273 WeakPolarHBondContact O-CG 3.49Å; T269-R273 PolarHBondContact O-N 3.37Å
270	E	87	Confident	84.8	Confident	92 Å²	92	51.4 Å²	51.4	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-69.4	-43.7	177.4	-170.4	58	-162.6	0	0	112.1	E266 Q267 F268 L272 R273 L274	E266-E270 PolarHBondContact O-N 2.72Å; Q267-E270 PolarHBondContact O-N 2.84Å; F268-E270 VanDerWaalsContact C-N 3.34Å; E270-L272 VanDerWaalsContact C-N 3.29Å; E270-L272 PolarHBondContact O-N 3.43Å; E270-R273 WeakPolarHBondContact O-CB 3.34Å; E270-R273 PolarHBondContact O-N 3.13Å; E270-R273 VanDerWaalsContact O-N 3.14Å; E270-R273 IonicContact OE2-CZ 2.72Å; E270-R273 IonicContact OE2-NH1 3.24Å; E270-R273 PolarHBondContact OE2-NH1 3.06Å; E270-L274 PolarHBondContact O-N 2.96Å
271	H	88.1	Confident	84.9	Confident	17 Å²	17	54 Å²	54	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-45.4	171.2	177.9	72.3	0	0	0	111.7	V209 T212 F213 Q267 F268 R273 L274 C275	V209-H271 PolarHBondContact O-NE2 3.49Å; T212-H271 PolarHBondContact OG1-CE1 3.31Å; T212-H271 VanDerWaalsContact OG1-CE1 3.27Å; T212-H271 PolarHBondContact OG1-NE2 3Å; T212-H271 VanDerWaalsContact OG1-NE2 3.09Å; F213-H271 HydrophobicContact CD2-CB 3.71Å; F213-H271 AromaticContact CD2-CD2 3.72Å; F213-H271 AromaticContact CD2-CG 3.69Å; F213-H271 HydrophobicContact CE2-CB 4.17Å; F213-H271 PolarHBondContact N-NE2 3.31Å; Q267-H271 WeakPolarHBondContact O-CB 3.49Å; Q267-H271 PolarHBondContact O-N 3.37Å; F268-H271 PolarHBondContact O-N 3.25Å; H271-R273 VanDerWaalsContact C-N 3.31Å; H271-R273 PolarHBondContact O-N 2.98Å; H271-L274 PolarHBondContact O-N 3.3Å; H271-L274 VanDerWaalsContact O-N 3.15Å; H271-C275 PolarHBondContact CE1-SG 3.33Å; H271-C275 PolarHBondContact NE2-SG 2.67Å; H271-C275 PolarHBondContact O-N 2.98Å; H271-C275 PolarHBondContact O-SG 2.93Å; H271-C275 VanDerWaalsContact O-SG 3.34Å
272	L	87.9	Confident	84.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-42	177.2	-175.1	69.1	0	0	0	111.3	I186 I189 V209 L253 F268 T269 E270 C275 M276	I186-L272 HydrophobicContact CG1-CD2 4.3Å; I186-L272 HydrophobicContact CG2-CD2 4.3Å; I189-L272 HydrophobicContact CB-CD2 4.29Å; I189-L272 HydrophobicContact CD1-CD2 4.16Å; I189-L272 HydrophobicContact CG2-CD2 3.93Å; I189-L272 HydrophobicContact CG2-CG 3.89Å; V209-L272 HydrophobicContact CG1-CD1 3.93Å; V209-L272 HydrophobicContact CG2-CD1 4.43Å; L253-L272 HydrophobicContact CD1-CD1 4.01Å; L253-L272 HydrophobicContact CD1-CD2 4.32Å; F268-L272 VanDerWaalsContact O-CB 3.25Å; F268-L272 WeakPolarHBondContact O-CB 3.5Å; F268-L272 PolarHBondContact O-N 3.5Å; T269-L272 PolarHBondContact O-N 3.34Å; E270-L272 VanDerWaalsContact C-N 3.29Å; E270-L272 PolarHBondContact O-N 3.43Å; L272-C275 PolarHBondContact O-N 2.88Å; L272-M276 HydrophobicContact CD1-CE 3.82Å; L272-M276 VanDerWaalsContact O-CG 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.44Å; L272-M276 PolarHBondContact O-N 3.28Å
273	R	87.4	Confident	84.8	Confident	122 Å²	122	50.4 Å²	50.4	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-44.6	175.5	-73.1	178.5	-175.1	138.3	0.1	112	I189 T269 E270 H271 M276 V277	I189-R273 HydrophobicContact CD1-CG 3.86Å; I189-R273 HydrophobicContact CG1-CG 4.07Å; I189-R273 HydrophobicContact CG2-CG 4.41Å; T269-R273 WeakPolarHBondContact O-CG 3.49Å; T269-R273 PolarHBondContact O-N 3.37Å; E270-R273 WeakPolarHBondContact O-CB 3.34Å; E270-R273 PolarHBondContact O-N 3.13Å; E270-R273 VanDerWaalsContact O-N 3.14Å; E270-R273 IonicContact OE2-CZ 2.72Å; E270-R273 IonicContact OE2-NH1 3.24Å; E270-R273 PolarHBondContact OE2-NH1 3.06Å; H271-R273 VanDerWaalsContact C-N 3.31Å; H271-R273 PolarHBondContact O-N 2.98Å; R273-M276 PolarHBondContact O-N 3.39Å; R273-V277 WeakPolarHBondContact O-CG2 3.18Å; R273-V277 PolarHBondContact O-N 3Å; R273-V277 VanDerWaalsContact O-N 3.11Å
274	L	86.5	Confident	84.7	Confident	65 Å²	65	50.2 Å²	50.2	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-46.5	176.8	-66.6	175	0	0	0	111.1	E270 H271 M276 V277 E278 L968	E270-L274 PolarHBondContact O-N 2.96Å; H271-L274 PolarHBondContact O-N 3.3Å; H271-L274 VanDerWaalsContact O-N 3.15Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 3.48Å; L274-V277 PolarHBondContact O-N 3.06Å; L274-V277 VanDerWaalsContact O-N 3.16Å; L274-E278 PolarHBondContact O-N 3.01Å; L274-L968 HydrophobicContact CB-CD2 3.71Å
275	C	86.9	Confident	84.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-42.4	175.4	-70.3	0	0	0	0	112.1	V209 H271 L272 V277 E278 F279 L968	V209-C275 HydrophobicContact CG2-CB 3.8Å; H271-C275 PolarHBondContact CE1-SG 3.33Å; H271-C275 PolarHBondContact NE2-SG 2.67Å; H271-C275 PolarHBondContact O-N 2.98Å; H271-C275 PolarHBondContact O-SG 2.93Å; H271-C275 VanDerWaalsContact O-SG 3.34Å; L272-C275 PolarHBondContact O-N 2.88Å; C275-V277 VanDerWaalsContact C-N 3.32Å; C275-V277 PolarHBondContact O-N 3.42Å; C275-E278 PolarHBondContact O-N 3.22Å; C275-F279 HydrophobicContact CB-CE2 4.27Å; C275-F279 WeakPolarHBondContact O-CD2 3.33Å; C275-F279 WeakPolarHBondContact O-CG 3.22Å; C275-F279 PolarHBondContact O-N 2.92Å; C275-L968 HydrophobicContact CB-CD2 4.31Å; C275-L968 VanDerWaalsContact SG-CD2 3.56Å
276	M	82.9	Confident	84.6	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-38.2	178.3	-69.2	-49.9	93	0	0	112.2	I189 L193 V209 L272 R273 L274 F279 R280	I189-M276 HydrophobicContact CG2-CB 4.41Å; I189-M276 HydrophobicContact CG2-CG 3.46Å; I189-M276 VanDerWaalsContact CG2-CG 3.46Å; L193-M276 HydrophobicContact CB-SD 3.78Å; L193-M276 HydrophobicContact CD1-CB 4.19Å; L193-M276 WeakPolarHBondContact CD1-O 3.39Å; L193-M276 HydrophobicContact CD1-SD 4.05Å; L193-M276 HydrophobicContact CD2-CE 4.44Å; L193-M276 HydrophobicContact CD2-SD 3.64Å; L193-M276 HydrophobicContact CG-SD 4Å; V209-M276 HydrophobicContact CG2-CE 4.33Å; L272-M276 HydrophobicContact CD1-CE 3.82Å; L272-M276 VanDerWaalsContact O-CG 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.44Å; L272-M276 PolarHBondContact O-N 3.28Å; R273-M276 PolarHBondContact O-N 3.39Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 3.48Å; M276-F279 HydrophobicContact CE-CD2 3.48Å; M276-F279 VanDerWaalsContact CE-CD2 3.48Å; M276-F279 HydrophobicContact CE-CE2 3.54Å; M276-F279 HydrophobicContact SD-CD2 4.42Å; M276-R280 PolarHBondContact O-N 2.82Å; M276-R280 VanDerWaalsContact O-N 3.16Å
277	V	84.6	Confident	84.5	Confident	77 Å²	77	52.8 Å²	52.8	47%	0.467	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-44	174.7	171.3	0	0	0	0	110.6	R273 L274 C275 R280 K281	R273-V277 WeakPolarHBondContact O-CG2 3.18Å; R273-V277 PolarHBondContact O-N 3Å; R273-V277 VanDerWaalsContact O-N 3.11Å; L274-V277 PolarHBondContact O-N 3.06Å; L274-V277 VanDerWaalsContact O-N 3.16Å; C275-V277 VanDerWaalsContact C-N 3.32Å; C275-V277 PolarHBondContact O-N 3.42Å; V277-R280 PolarHBondContact O-N 3.03Å; V277-K281 HydrophobicContact CG1-CD 4.46Å; V277-K281 WeakPolarHBondContact O-CG 3.15Å; V277-K281 PolarHBondContact O-N 3.32Å; V277-K281 VanDerWaalsContact O-N 3.1Å
278	E	85.5	Confident	84.5	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-41	179	-66.8	-50.3	127.6	0	0	112.7	L274 C275 R280 K281 A282 L949 L968	L274-E278 PolarHBondContact O-N 3.01Å; C275-E278 PolarHBondContact O-N 3.22Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 2.96Å; E278-K281 WeakPolarHBondContact O-CB 3.44Å; E278-K281 PolarHBondContact O-N 3.34Å; E278-K281 IonicContact OE1-NZ 3Å; E278-K281 PolarHBondContact OE1-NZ 3.22Å; E278-K281 IonicContact OE2-NZ 2.77Å; E278-A282 WeakPolarHBondContact O-CB 3.28Å; E278-A282 PolarHBondContact O-N 3.3Å; E278-L949 HydrophobicContact CB-CD2 3.87Å; E278-L968 HydrophobicContact CG-CD2 3.93Å; E278-L968 HydrophobicContact CG-CG 4.48Å
279	F	83.6	Confident	84.5	Confident	7 Å²	7	51 Å²	51	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-37.4	175	-67.3	-30.9	0	0	0	112.8	L193 M205 D208 V209 C275 M276 A282 E283 Y948 L949	L193-F279 HydrophobicContact CD1-CB 3.62Å; L193-F279 HydrophobicContact CD2-CB 4.32Å; L193-F279 HydrophobicContact CD2-CD2 4.2Å; M205-F279 HydrophobicContact CB-CE1 4.45Å; M205-F279 HydrophobicContact CB-CE2 3.87Å; M205-F279 HydrophobicContact CB-CZ 3.83Å; M205-F279 HydrophobicContact CG-CE1 4.29Å; M205-F279 HydrophobicContact CG-CE2 4.29Å; M205-F279 HydrophobicContact CG-CZ 4.15Å; M205-F279 HydrophobicContact SD-CD2 4.41Å; D208-F279 HydrophobicContact CB-CZ 4.22Å; V209-F279 HydrophobicContact CG2-CE2 3.66Å; V209-F279 HydrophobicContact CG2-CZ 3.83Å; C275-F279 HydrophobicContact CB-CE2 4.27Å; C275-F279 WeakPolarHBondContact O-CD2 3.33Å; C275-F279 WeakPolarHBondContact O-CG 3.22Å; C275-F279 PolarHBondContact O-N 2.92Å; M276-F279 HydrophobicContact CE-CD2 3.48Å; M276-F279 VanDerWaalsContact CE-CD2 3.48Å; M276-F279 HydrophobicContact CE-CE2 3.54Å; M276-F279 HydrophobicContact SD-CD2 4.42Å; F279-A282 WeakPolarHBondContact O-CB 3.41Å; F279-A282 PolarHBondContact O-N 2.9Å; F279-E283 PolarHBondContact O-N 3.06Å; F279-Y948 HydrophobicContact CD1-CG 4.47Å; F279-Y948 HydrophobicContact CE1-CG 4.42Å; F279-L949 HydrophobicContact CD1-CD2 4.15Å; F279-L949 HydrophobicContact CE1-CD1 4.4Å; F279-L949 HydrophobicContact CE1-CD2 3.71Å; F279-L949 HydrophobicContact CE1-CG 3.78Å; F279-L949 HydrophobicContact CZ-CD1 4.4Å; F279-L949 HydrophobicContact CZ-CD2 4.33Å; F279-L949 HydrophobicContact CZ-CG 4.27Å
280	R	80	Confident	84.6	Confident	143 Å²	143	54.5 Å²	54.5	54%	0.54	25%	0.246	S	C	.	.	H	α-helix	trans	-67	-37.8	175.5	-171.6	178.3	-178.4	-171.1	1.2	112.3	L193 M276 V277 E278 K284	L193-R280 HydrophobicContact CD1-CB 4.33Å; M276-R280 PolarHBondContact O-N 2.82Å; M276-R280 VanDerWaalsContact O-N 3.16Å; V277-R280 PolarHBondContact O-N 3.03Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 2.96Å; R280-K284 PolarHBondContact O-N 3.49Å
281	K	82.4	Confident	84.6	Confident	75 Å²	75	53.5 Å²	53.5	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-43.2	171.6	-69.8	174.3	-173.9	167.7	0	110.6	V277 E278 E283 K284 R285 E449	V277-K281 HydrophobicContact CG1-CD 4.46Å; V277-K281 WeakPolarHBondContact O-CG 3.15Å; V277-K281 PolarHBondContact O-N 3.32Å; V277-K281 VanDerWaalsContact O-N 3.1Å; E278-K281 WeakPolarHBondContact O-CB 3.44Å; E278-K281 PolarHBondContact O-N 3.34Å; E278-K281 IonicContact OE1-NZ 3Å; E278-K281 PolarHBondContact OE1-NZ 3.22Å; E278-K281 IonicContact OE2-NZ 2.77Å; K281-E283 PolarHBondContact O-N 3.22Å; K281-K284 PolarHBondContact O-N 3.38Å; K281-R285 WeakPolarHBondContact O-CB 3.49Å; K281-R285 PolarHBondContact O-N 2.96Å; K281-E449 VanDerWaalsContact CB-OE1 3.31Å; K281-E449 WeakPolarHBondContact CB-OE1 3.29Å
282	A	82	Confident	84.7	Confident	10 Å²	10	52.7 Å²	52.7	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-41.6	179.8	0	0	0	0	0	112.9	E278 F279 R285 E286	E278-A282 WeakPolarHBondContact O-CB 3.28Å; E278-A282 PolarHBondContact O-N 3.3Å; F279-A282 WeakPolarHBondContact O-CB 3.41Å; F279-A282 PolarHBondContact O-N 2.9Å; A282-R285 PolarHBondContact O-N 2.63Å; A282-E286 PolarHBondContact O-N 3.4Å
283	E	78.7	Confident	84.7	Confident	61 Å²	61	53.7 Å²	53.7	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-46.1	176.2	-174.9	172.3	-140.4	0	0	112	P195 K198 F279 K281 R285 E286 E287	P195-E283 WeakPolarHBondContact CG-OE2 3.47Å; K198-E283 IonicContact NZ-OE1 3.25Å; K198-E283 PolarHBondContact NZ-OE1 3.25Å; F279-E283 PolarHBondContact O-N 3.06Å; K281-E283 PolarHBondContact O-N 3.22Å; E283-R285 VanDerWaalsContact C-N 3.32Å; E283-R285 PolarHBondContact O-N 2.91Å; E283-E286 PolarHBondContact O-N 3.41Å; E283-E287 PolarHBondContact O-N 2.91Å; E283-E287 VanDerWaalsContact O-N 3.12Å
284	K	80.8	Confident	84.7	Confident	110 Å²	110	50.8 Å²	50.8	48%	0.478	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-38.6	176.4	-69.4	179.3	178	-177.9	0	112.4	R280 K281 E287 R288	R280-K284 PolarHBondContact O-N 3.49Å; K281-K284 PolarHBondContact O-N 3.38Å; K284-E287 PolarHBondContact O-N 3.38Å; K284-R288 WeakPolarHBondContact O-CG 3.29Å; K284-R288 PolarHBondContact O-N 3.44Å; K284-R288 VanDerWaalsContact O-N 3.15Å
285	R	84.1	Confident	84.6	Confident	26 Å²	26	47.8 Å²	47.8	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-45.1	175.3	-176.7	-176	63.9	88.3	10.4	110.5	K281 A282 E283 E287 R288 R289 D955	K281-R285 WeakPolarHBondContact O-CB 3.49Å; K281-R285 PolarHBondContact O-N 2.96Å; A282-R285 PolarHBondContact O-N 2.63Å; E283-R285 VanDerWaalsContact C-N 3.32Å; E283-R285 PolarHBondContact O-N 2.91Å; R285-E287 PolarHBondContact O-N 3.39Å; R285-R288 WeakPolarHBondContact O-CB 3.27Å; R285-R288 PolarHBondContact O-N 3.43Å; R285-R289 WeakPolarHBondContact O-CG 3.28Å; R285-R289 PolarHBondContact O-N 2.95Å; R285-D955 IonicContact NH1-OD1 2.72Å; R285-D955 IonicContact NH1-OD2 3.45Å
286	E	83.4	Confident	84.5	Confident	77 Å²	77	47.8 Å²	47.8	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-41.4	179.1	-167.8	57.3	-147.2	0	0	112.2	A282 E283 R288 R289 E290 K293	A282-E286 PolarHBondContact O-N 3.4Å; E283-E286 PolarHBondContact O-N 3.41Å; E286-R288 VanDerWaalsContact C-N 3.3Å; E286-R288 PolarHBondContact O-N 2.88Å; E286-R289 PolarHBondContact O-N 3.15Å; E286-R289 VanDerWaalsContact O-N 3.17Å; E286-E290 PolarHBondContact O-N 3.17Å; E286-K293 IonicContact OE1-NZ 3.12Å; E286-K293 PolarHBondContact OE1-NZ 3.02Å
287	E	83.1	Confident	84.5	Confident	122 Å²	122	53.9 Å²	53.9	57%	0.57	25%	0.25	S	C	*	.	H	α-helix	trans	-57.9	-42.5	173.4	-70.2	-177.9	170.2	0	0	112	E283 K284 R285 E290 L291	E283-E287 PolarHBondContact O-N 2.91Å; E283-E287 VanDerWaalsContact O-N 3.12Å; K284-E287 PolarHBondContact O-N 3.38Å; R285-E287 PolarHBondContact O-N 3.39Å; E287-E290 PolarHBondContact O-N 3.45Å; E287-L291 WeakPolarHBondContact O-CG 3.25Å; E287-L291 PolarHBondContact O-N 2.99Å
288	R	86.9	Confident	84.3	Confident	21 Å²	21	52.7 Å²	52.7	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-40.9	175.8	-70.6	174.5	69.2	96.9	-10.6	111.8	K284 R285 E286 E290 L291 L292 I447 F456	K284-R288 WeakPolarHBondContact O-CG 3.29Å; K284-R288 PolarHBondContact O-N 3.44Å; K284-R288 VanDerWaalsContact O-N 3.15Å; R285-R288 WeakPolarHBondContact O-CB 3.27Å; R285-R288 PolarHBondContact O-N 3.43Å; E286-R288 VanDerWaalsContact C-N 3.3Å; E286-R288 PolarHBondContact O-N 2.88Å; R288-E290 VanDerWaalsContact C-N 3.35Å; R288-L291 WeakPolarHBondContact O-CB 3.48Å; R288-L291 PolarHBondContact O-N 2.9Å; R288-L292 WeakPolarHBondContact O-CG 3.44Å; R288-L292 PolarHBondContact O-N 3.1Å; R288-I447 PolarHBondContact NH2-O 3.28Å; R288-I447 VanDerWaalsContact NH2-O 3.09Å; R288-F456 HydrophobicContact CB-CE1 4.28Å; R288-F456 HydrophobicContact CB-CE2 4.49Å; R288-F456 HydrophobicContact CB-CZ 3.88Å; R288-F456 HydrophobicContact CG-CE1 4.22Å; R288-F456 HydrophobicContact CG-CZ 4.19Å
289	R	87.7	Confident	84.1	Confident	15 Å²	15	52.6 Å²	52.6	6%	0.057	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-39.7	177.8	-75.2	-173.2	173	-148	7.8	112.1	R285 E286 L291 L292 K293 I440 E444 D955	R285-R289 WeakPolarHBondContact O-CG 3.28Å; R285-R289 PolarHBondContact O-N 2.95Å; E286-R289 PolarHBondContact O-N 3.15Å; E286-R289 VanDerWaalsContact O-N 3.17Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3Å; R289-L292 PolarHBondContact O-N 2.87Å; R289-L292 VanDerWaalsContact O-N 3.16Å; R289-K293 WeakPolarHBondContact O-CB 3.44Å; R289-K293 VanDerWaalsContact O-CG 3.23Å; R289-K293 WeakPolarHBondContact O-CG 3.36Å; R289-K293 PolarHBondContact O-N 3.27Å; R289-I440 HydrophobicContact CG-CG2 4.01Å; R289-E444 WeakPolarHBondContact CG-OE1 3.22Å; R289-E444 IonicContact CZ-OE1 3.81Å; R289-E444 IonicContact CZ-OE2 3.4Å; R289-E444 IonicContact NE-OE1 2.76Å; R289-E444 PolarHBondContact NE-OE1 3.26Å; R289-E444 IonicContact NE-OE2 3.4Å; R289-E444 VanDerWaalsContact NH2-CD 3.35Å; R289-E444 IonicContact NH2-OE1 3Å; R289-E444 PolarHBondContact NH2-OE1 2.9Å; R289-E444 IonicContact NH2-OE2 2.9Å; R289-E444 PolarHBondContact NH2-OE2 3.44Å; R289-D955 IonicContact CZ-OD1 3.39Å; R289-D955 VanDerWaalsContact CZ-OD1 3.24Å; R289-D955 IonicContact CZ-OD2 3.04Å; R289-D955 IonicContact NH1-OD1 3.92Å; R289-D955 PolarHBondContact NH1-OD1 3.07Å; R289-D955 IonicContact NH1-OD2 3.46Å; R289-D955 IonicContact NH2-OD1 2.74Å; R289-D955 PolarHBondContact NH2-OD1 3.05Å; R289-D955 VanDerWaalsContact NH2-OD1 3.08Å; R289-D955 IonicContact NH2-OD2 3.69Å; R289-D955 PolarHBondContact NH2-OD2 3.06Å
290	E	87.3	Confident	83.9	Confident	83 Å²	83	52.8 Å²	52.8	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-38.3	173.7	-76.7	-54	128.4	0	0	112.6	E286 E287 R288 K293 S294	E286-E290 PolarHBondContact O-N 3.17Å; E287-E290 PolarHBondContact O-N 3.45Å; R288-E290 VanDerWaalsContact C-N 3.35Å; E290-K293 WeakPolarHBondContact OE1-CD 3.37Å; E290-K293 IonicContact OE1-NZ 3.22Å; E290-K293 PolarHBondContact OE1-NZ 3.4Å; E290-S294 VanDerWaalsContact O-CB 3.29Å; E290-S294 WeakPolarHBondContact O-CB 3.48Å; E290-S294 PolarHBondContact O-N 2.95Å
291	L	87.5	Confident	83.3	Confident	71 Å²	71	52.1 Å²	52.1	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-39.6	172.6	-66.3	173.1	0	0	0	112.3	E287 R288 R289 S294 C295 F456 L460	E287-L291 WeakPolarHBondContact O-CG 3.25Å; E287-L291 PolarHBondContact O-N 2.99Å; R288-L291 WeakPolarHBondContact O-CB 3.48Å; R288-L291 PolarHBondContact O-N 2.9Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3Å; L291-S294 WeakPolarHBondContact O-CB 3.33Å; L291-S294 PolarHBondContact O-N 3.22Å; L291-C295 WeakPolarHBondContact O-CB 3.41Å; L291-C295 PolarHBondContact O-N 3.5Å; L291-F456 HydrophobicContact CB-CE1 3.93Å; L291-F456 HydrophobicContact CB-CZ 4.35Å; L291-F456 HydrophobicContact CD1-CD1 4.48Å; L291-F456 HydrophobicContact CD1-CE1 3.83Å; L291-L460 HydrophobicContact CB-CD1 3.98Å
292	L	89.3	Confident	82.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-46	175.1	-74.7	165.6	0	0	0	112.1	R288 R289 S294 C295 F296 F439 I440 M443 E444 F456 L460	R288-L292 WeakPolarHBondContact O-CG 3.44Å; R288-L292 PolarHBondContact O-N 3.1Å; R289-L292 PolarHBondContact O-N 2.87Å; R289-L292 VanDerWaalsContact O-N 3.16Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.93Å; L292-C295 CarbonylContact O-C 3.44Å; L292-C295 WeakPolarHBondContact O-CB 3.21Å; L292-C295 PolarHBondContact O-N 3.02Å; L292-C295 VanDerWaalsContact O-N 3.11Å; L292-F296 WeakPolarHBondContact O-CB 3.41Å; L292-F296 PolarHBondContact O-N 2.79Å; L292-F439 HydrophobicContact CB-CE1 4.49Å; L292-F439 HydrophobicContact CD2-CE1 4.01Å; L292-I440 HydrophobicContact CB-CG1 3.96Å; L292-I440 HydrophobicContact CD1-CG2 4.14Å; L292-M443 HydrophobicContact CD1-CB 4.22Å; L292-M443 HydrophobicContact CD2-CB 3.51Å; L292-M443 HydrophobicContact CD2-CG 3.79Å; L292-E444 HydrophobicContact CD1-CG 4.21Å; L292-F456 HydrophobicContact CD1-CE2 4.27Å; L292-F456 HydrophobicContact CD1-CZ 4.32Å; L292-F456 HydrophobicContact CD2-CE2 4.11Å; L292-F456 HydrophobicContact CD2-CZ 4.24Å; L292-F456 HydrophobicContact CG-CE2 4.07Å; L292-F456 HydrophobicContact CG-CZ 3.86Å; L292-L460 HydrophobicContact CD2-CD2 3.62Å
293	K	88.1	Confident	82.4	Confident	21 Å²	21	55 Å²	55	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-43.7	174.2	-68.7	173.7	-164.9	168	0	110.4	E286 R289 E290 F296 R297 I440	E286-K293 IonicContact OE1-NZ 3.12Å; E286-K293 PolarHBondContact OE1-NZ 3.02Å; R289-K293 WeakPolarHBondContact O-CB 3.44Å; R289-K293 VanDerWaalsContact O-CG 3.23Å; R289-K293 WeakPolarHBondContact O-CG 3.36Å; R289-K293 PolarHBondContact O-N 3.27Å; E290-K293 WeakPolarHBondContact OE1-CD 3.37Å; E290-K293 IonicContact OE1-NZ 3.22Å; E290-K293 PolarHBondContact OE1-NZ 3.4Å; K293-F296 PolarHBondContact O-N 2.95Å; K293-R297 WeakPolarHBondContact O-CG 3.07Å; K293-R297 PolarHBondContact O-N 3.28Å; K293-I440 HydrophobicContact CG-CD1 3.74Å
294	S	86.6	Confident	81.9	Confident	61 Å²	61	53 Å²	53	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-43	174.5	-172.3	0	0	0	0	112.1	E290 L291 L292 R297 S298	E290-S294 VanDerWaalsContact O-CB 3.29Å; E290-S294 WeakPolarHBondContact O-CB 3.48Å; E290-S294 PolarHBondContact O-N 2.95Å; L291-S294 WeakPolarHBondContact O-CB 3.33Å; L291-S294 PolarHBondContact O-N 3.22Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.93Å; S294-R297 PolarHBondContact O-N 3.45Å; S294-S298 PolarHBondContact O-N 3.44Å
295	C	84.6	Confident	81.6	Confident	2 Å²	2	51 Å²	51	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-45.2	176.2	-164.4	0	0	0	0	111.9	L291 L292 R297 S298 C299 L460	L291-C295 WeakPolarHBondContact O-CB 3.41Å; L291-C295 PolarHBondContact O-N 3.5Å; L292-C295 CarbonylContact O-C 3.44Å; L292-C295 WeakPolarHBondContact O-CB 3.21Å; L292-C295 PolarHBondContact O-N 3.02Å; L292-C295 VanDerWaalsContact O-N 3.11Å; C295-R297 PolarHBondContact O-N 3.3Å; C295-S298 WeakPolarHBondContact CA-OG 3.3Å; C295-S298 PolarHBondContact O-N 3.22Å; C295-S298 VanDerWaalsContact O-N 3.11Å; C295-S298 PolarHBondContact O-OG 3.37Å; C295-C299 PolarHBondContact O-N 3.31Å; C295-C299 VanDerWaalsContact O-N 3.08Å; C295-C299 PolarHBondContact O-SG 3.15Å; C295-L460 HydrophobicContact CB-CD2 4.05Å
296	F	86	Confident	81.2	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-51.2	176.4	-177	-86.6	0	0	0	110.8	L292 K293 S298 C299 D300 L307 Q436 F439	L292-F296 WeakPolarHBondContact O-CB 3.41Å; L292-F296 PolarHBondContact O-N 2.79Å; K293-F296 PolarHBondContact O-N 2.95Å; F296-S298 PolarHBondContact O-N 3.48Å; F296-C299 PolarHBondContact O-N 2.86Å; F296-D300 HydrophobicContact CD1-CB 4.45Å; F296-D300 HydrophobicContact CE1-CB 4.15Å; F296-D300 PolarHBondContact O-N 3.45Å; F296-L307 HydrophobicContact CD2-CD1 3.37Å; F296-L307 HydrophobicContact CD2-CG 3.86Å; F296-L307 HydrophobicContact CE2-CB 4.21Å; F296-L307 HydrophobicContact CE2-CD1 3.49Å; F296-L307 VanDerWaalsContact CE2-CD1 3.49Å; F296-L307 HydrophobicContact CE2-CG 3.43Å; F296-L307 VanDerWaalsContact CE2-CG 3.43Å; F296-L307 HydrophobicContact CG-CD1 4.23Å; F296-L307 HydrophobicContact CZ-CD1 4.39Å; F296-L307 HydrophobicContact CZ-CG 3.94Å; F296-Q436 HydrophobicContact CB-CG 4.28Å; F296-Q436 HydrophobicContact CD1-CB 3.91Å; F296-Q436 HydrophobicContact CD1-CG 3.81Å; F296-Q436 HydrophobicContact CD2-CB 4.35Å; F296-Q436 HydrophobicContact CD2-CG 4.39Å; F296-Q436 HydrophobicContact CE1-CB 3.82Å; F296-Q436 HydrophobicContact CE1-CG 4.25Å; F296-Q436 VanDerWaalsContact CE2-CA 3.5Å; F296-Q436 HydrophobicContact CE2-CB 4.24Å; F296-Q436 HydrophobicContact CG-CB 4.19Å; F296-Q436 HydrophobicContact CG-CG 3.9Å; F296-Q436 HydrophobicContact CZ-CB 3.99Å; F296-F439 HydrophobicContact CB-CD1 3.96Å; F296-F439 HydrophobicContact CB-CE1 4.11Å; F296-F439 HydrophobicContact CD2-CB 3.68Å; F296-F439 AromaticContact CD2-CD1 3.74Å; F296-F439 HydrophobicContact CD2-CD1 3.74Å; F296-F439 HydrophobicContact CD2-CD2 4.41Å; F296-F439 HydrophobicContact CD2-CE1 4.49Å; F296-F439 AromaticContact CD2-CG 3.68Å; F296-F439 HydrophobicContact CD2-CG 3.68Å; F296-F439 HydrophobicContact CE2-CB 3.95Å; F296-F439 HydrophobicContact CE2-CG 4.38Å; F296-F439 HydrophobicContact CG-CD1 4.32Å
297	R	83.3	Confident	81	Confident	132 Å²	132	47.6 Å²	47.6	50%	0.498	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-33.9	175.7	-72.9	-175	-69.8	-113.2	4.3	113.1	K293 S294 C295 C299	K293-R297 WeakPolarHBondContact O-CG 3.07Å; K293-R297 PolarHBondContact O-N 3.28Å; S294-R297 PolarHBondContact O-N 3.45Å; C295-R297 PolarHBondContact O-N 3.3Å; R297-C299 VanDerWaalsContact C-N 3.33Å
298	S	80.6	Confident	80.7	Confident	52 Å²	52	42.1 Å²	42.1	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-73.6	-24.1	176.2	71.2	0	0	0	0	113.8	S294 C295 F296	S294-S298 PolarHBondContact O-N 3.44Å; C295-S298 WeakPolarHBondContact CA-OG 3.3Å; C295-S298 PolarHBondContact O-N 3.22Å; C295-S298 VanDerWaalsContact O-N 3.11Å; C295-S298 PolarHBondContact O-OG 3.37Å; F296-S298 PolarHBondContact O-N 3.48Å
299	C	80.2	Confident	80.2	Confident	15 Å²	15	44.1 Å²	44.1	10%	0.101	22%	0.221	C	C	.	.	H	α-helix	trans	-87.9	-33.5	176.2	-58.4	0	0	0	0	111.6	C295 F296 R297 L301 L307 Y466	C295-C299 PolarHBondContact O-N 3.31Å; C295-C299 VanDerWaalsContact O-N 3.08Å; C295-C299 PolarHBondContact O-SG 3.15Å; F296-C299 PolarHBondContact O-N 2.86Å; R297-C299 VanDerWaalsContact C-N 3.33Å; C299-L301 VanDerWaalsContact C-N 3.31Å; C299-L301 PolarHBondContact O-N 3.48Å; C299-L301 VanDerWaalsContact O-N 3.07Å; C299-L307 HydrophobicContact CB-CD1 4.07Å; C299-L307 HydrophobicContact CB-CD2 3.84Å; C299-Y466 HydrophobicContact CB-CD1 3.93Å; C299-Y466 HydrophobicContact CB-CG 4.25Å
300	D	78.5	Confident	79.7	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.053	25%	0.247	C	C	.	.			trans	-84.3	68.3	177.8	-176.2	24.4	0	0	0	112	F296 D302 Q303 L304 N305 L307	F296-D300 HydrophobicContact CD1-CB 4.45Å; F296-D300 HydrophobicContact CE1-CB 4.15Å; F296-D300 PolarHBondContact O-N 3.45Å; D300-D302 PolarHBondContact O-N 3.46Å; D300-Q303 PolarHBondContact O-N 3.18Å; D300-Q303 VanDerWaalsContact O-N 3.11Å; D300-Q303 PolarHBondContact OD1-N 3Å; D300-Q303 VanDerWaalsContact OD2-CA 3.28Å; D300-Q303 WeakPolarHBondContact OD2-CA 3.45Å; D300-L304 PolarHBondContact OD1-N 3.31Å; D300-L304 PolarHBondContact OD2-N 3Å; D300-N305 WeakPolarHBondContact OD2-CA 3.41Å; D300-N305 PolarHBondContact OD2-N 2.65Å; D300-L307 HydrophobicContact CB-CD2 4.07Å
301	L	68.8	Low	79.3	Confident	129 Å²	129	44.6 Å²	44.6	68%	0.675	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.6	-178.4	-62.7	173.9	0	0	0	113.7	C299	C299-L301 VanDerWaalsContact C-N 3.31Å; C299-L301 PolarHBondContact O-N 3.48Å; C299-L301 VanDerWaalsContact O-N 3.07Å
302	D	69.6	Low	79.1	Confident	31 Å²	31	41.3 Å²	41.3	17%	0.166	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.6	176.8	-72	-57	0	0	0	113.5	D300 L304 R473 R477	D300-D302 PolarHBondContact O-N 3.46Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 HydrophobicContact CB-CD1 3.86Å; D302-L304 HydrophobicContact CB-CD2 4.49Å; D302-L304 HydrophobicContact CB-CG 3.64Å; D302-L304 PolarHBondContact O-N 3Å; D302-R473 IonicContact OD1-CZ 3.59Å; D302-R473 IonicContact OD1-NE 3.71Å; D302-R473 PolarHBondContact OD1-NE 3.09Å; D302-R473 IonicContact OD1-NH2 2.74Å; D302-R473 PolarHBondContact OD1-NH2 3.24Å; D302-R473 WeakPolarHBondContact OD2-CD 3.38Å; D302-R473 WeakPolarHBondContact OD2-CG 3.43Å; D302-R473 IonicContact OD2-CZ 2.65Å; D302-R473 IonicContact OD2-NE 3.89Å; D302-R473 PolarHBondContact OD2-NE 2.89Å; D302-R473 IonicContact OD2-NH1 2.81Å; D302-R473 PolarHBondContact OD2-NH1 3.41Å; D302-R473 IonicContact OD2-NH2 3.03Å; D302-R473 PolarHBondContact OD2-NH2 3.07Å; D302-R473 VanDerWaalsContact OD2-NH2 3.12Å; D302-R477 IonicContact OD1-NH1 2.86Å; D302-R477 PolarHBondContact OD1-NH1 3.23Å
303	Q	74.4	Confident	78.7	Confident	114 Å²	114	42.3 Å²	42.3	53%	0.533	22%	0.224	S	C	.	.			trans	59.3	36.7	-171.6	-53.4	177.8	-6.6	0	0	113.1	D300 N305	D300-Q303 PolarHBondContact O-N 3.18Å; D300-Q303 VanDerWaalsContact O-N 3.11Å; D300-Q303 PolarHBondContact OD1-N 3Å; D300-Q303 VanDerWaalsContact OD2-CA 3.28Å; D300-Q303 WeakPolarHBondContact OD2-CA 3.45Å; Q303-N305 PolarHBondContact O-N 3.43Å
304	L	68.8	Low	78.5	Confident	19 Å²	19	46 Å²	46	10%	0.099	24%	0.241	C	C	.	.			trans	-77.5	-9.5	176	-66.4	170.6	0	0	0	112.6	D300 D302 E306 R476 R477 H480	D300-L304 PolarHBondContact OD1-N 3.31Å; D300-L304 PolarHBondContact OD2-N 3Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 HydrophobicContact CB-CD1 3.86Å; D302-L304 HydrophobicContact CB-CD2 4.49Å; D302-L304 HydrophobicContact CB-CG 3.64Å; D302-L304 PolarHBondContact O-N 3Å; L304-E306 PolarHBondContact O-N 3.18Å; L304-R476 HydrophobicContact CD1-CB 4.32Å; L304-R477 HydrophobicContact CD1-CG 3.98Å; L304-R477 HydrophobicContact CD2-CG 4.34Å; L304-H480 HydrophobicContact CD2-CB 3.91Å
305	N	74.6	Confident	78.3	Confident	69 Å²	69	44.4 Å²	44.4	37%	0.369	23%	0.228	S	C	.	.	S	Bend	trans	57.7	20.2	-171.4	-60.9	-50.6	0	0	0	114.4	D300 Q303 N914	D300-N305 WeakPolarHBondContact OD2-CA 3.41Å; D300-N305 PolarHBondContact OD2-N 2.65Å; Q303-N305 PolarHBondContact O-N 3.43Å; N305-N914 PolarHBondContact ND2-ND2 3.45Å
306	E	76.7	Confident	78.3	Confident	29 Å²	29	44.4 Å²	44.4	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.6	178.9	-67.3	-178.1	-178.4	0	0	111.2	L304 I434 R476 K483	L304-E306 PolarHBondContact O-N 3.18Å; E306-I434 CarbonylContact C-O 3.54Å; E306-I434 VanDerWaalsContact CA-O 3.23Å; E306-I434 WeakPolarHBondContact CA-O 3.28Å; E306-R476 PolarHBondContact O-NH1 3Å; E306-K483 IonicContact OE1-NZ 3.46Å; E306-K483 PolarHBondContact OE1-NZ 3.14Å; E306-K483 IonicContact OE2-NZ 3.85Å
307	L	79.4	Confident	78.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.8	172.6	-64.4	177.4	0	0	0	111	F296 C299 D300 R309 V312 G433 I434 F439 Y466	F296-L307 HydrophobicContact CD2-CD1 3.37Å; F296-L307 HydrophobicContact CD2-CG 3.86Å; F296-L307 HydrophobicContact CE2-CB 4.21Å; F296-L307 HydrophobicContact CE2-CD1 3.49Å; F296-L307 VanDerWaalsContact CE2-CD1 3.49Å; F296-L307 HydrophobicContact CE2-CG 3.43Å; F296-L307 VanDerWaalsContact CE2-CG 3.43Å; F296-L307 HydrophobicContact CG-CD1 4.23Å; F296-L307 HydrophobicContact CZ-CD1 4.39Å; F296-L307 HydrophobicContact CZ-CG 3.94Å; C299-L307 HydrophobicContact CB-CD1 4.07Å; C299-L307 HydrophobicContact CB-CD2 3.84Å; D300-L307 HydrophobicContact CB-CD2 4.07Å; L307-R309 PolarHBondContact O-N 3.19Å; L307-V312 HydrophobicContact CB-CG2 4.06Å; L307-V312 HydrophobicContact CD1-CG2 4.29Å; L307-G433 CarbonylContact O-C 3.51Å; L307-G433 WeakPolarHBondContact O-CA 3.49Å; L307-I434 HydrophobicContact CB-CD1 4.46Å; L307-I434 HydrophobicContact CB-CG1 3.95Å; L307-I434 PolarHBondContact N-O 3.47Å; L307-I434 WeakPolarHBondContact O-CG1 3.04Å; L307-I434 PolarHBondContact O-N 2.86Å; L307-F439 HydrophobicContact CD1-CD2 4.12Å; L307-F439 HydrophobicContact CD1-CE2 4.4Å; L307-Y466 HydrophobicContact CD2-CD1 4.5Å; L307-Y466 HydrophobicContact CD2-CE1 3.88Å
308	S	76.3	Confident	78.4	Confident	8 Å²	8	43.2 Å²	43.2	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.9	176.9	169.3	0	0	0	0	110.9	A310 Q311 V312 V432 Y466	S308-A310 PolarHBondContact O-N 2.93Å; S308-Q311 PolarHBondContact O-N 3.35Å; S308-Q311 PolarHBondContact OG-N 2.86Å; S308-V312 WeakPolarHBondContact O-CG2 3.47Å; S308-V312 PolarHBondContact O-N 3.24Å; S308-V312 VanDerWaalsContact O-N 3.09Å; S308-V432 WeakPolarHBondContact CA-O 3.28Å; S308-Y466 WeakPolarHBondContact CB-OH 3.4Å; S308-Y466 PolarHBondContact N-OH 3.17Å
309	R	76.2	Confident	78.6	Confident	63 Å²	63	41.7 Å²	41.7	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-55.5	-54.5	176.4	-173.5	172.3	166	116.6	-12	110.2	L307 Q311 V312 F313 E341 V432 I434 Y961	L307-R309 PolarHBondContact O-N 3.19Å; R309-Q311 VanDerWaalsContact C-N 3.33Å; R309-Q311 PolarHBondContact O-N 3.23Å; R309-V312 PolarHBondContact O-N 2.91Å; R309-F313 HydrophobicContact CG-CD2 3.67Å; R309-F313 HydrophobicContact CG-CE2 3.67Å; R309-F313 VanDerWaalsContact O-CD2 3.27Å; R309-F313 WeakPolarHBondContact O-CD2 3.33Å; R309-F313 PolarHBondContact O-N 2.91Å; R309-E341 IonicContact CZ-OE1 3.24Å; R309-E341 IonicContact NH1-OE1 3.62Å; R309-E341 IonicContact NH2-OE1 2.82Å; R309-E341 PolarHBondContact NH2-OE1 3.18Å; R309-V432 PolarHBondContact N-O 3.5Å; R309-I434 HydrophobicContact CB-CG2 3.71Å; R309-I434 HydrophobicContact CG-CG2 3.84Å; R309-Y961 PolarHBondContact NH1-OH 3.45Å
310	A	77.4	Confident	78.9	Confident	72 Å²	72	42 Å²	42	60%	0.595	22%	0.216	S	C	*	.	H	α-helix	trans	-58.2	-42.7	-175.5	0	0	0	0	0	112.5	S308 Q314	S308-A310 PolarHBondContact O-N 2.93Å; A310-Q314 WeakPolarHBondContact O-CB 3.41Å; A310-Q314 PolarHBondContact O-N 2.89Å
311	Q	78.9	Confident	79.4	Confident	35 Å²	35	45.2 Å²	45.2	16%	0.164	23%	0.233	C	C	.	.	H	α-helix	trans	-72.4	-36.8	-179.6	-72.4	-178.6	-15	0	0	113.2	S308 R309 Q314 L315 Y466 E472	S308-Q311 PolarHBondContact O-N 3.35Å; S308-Q311 PolarHBondContact OG-N 2.86Å; R309-Q311 VanDerWaalsContact C-N 3.33Å; R309-Q311 PolarHBondContact O-N 3.23Å; Q311-Q314 PolarHBondContact O-N 2.68Å; Q311-L315 WeakPolarHBondContact O-CB 3.33Å; Q311-L315 WeakPolarHBondContact O-CG 3.49Å; Q311-L315 PolarHBondContact O-N 3.18Å; Q311-Y466 HydrophobicContact CB-CD2 4.36Å; Q311-Y466 HydrophobicContact CB-CE2 3.64Å; Q311-Y466 PolarHBondContact OE1-OH 3.01Å; Q311-E472 PolarHBondContact NE2-OE1 2.92Å; Q311-E472 PolarHBondContact NE2-OE2 2.87Å
312	V	82.5	Confident	80.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-46.3	175.4	170.7	0	0	0	0	109.8	L307 S308 R309 L315 C316 I434 F439 Y466	L307-V312 HydrophobicContact CB-CG2 4.06Å; L307-V312 HydrophobicContact CD1-CG2 4.29Å; S308-V312 WeakPolarHBondContact O-CG2 3.47Å; S308-V312 PolarHBondContact O-N 3.24Å; S308-V312 VanDerWaalsContact O-N 3.09Å; R309-V312 PolarHBondContact O-N 2.91Å; V312-L315 PolarHBondContact O-N 3.24Å; V312-C316 WeakPolarHBondContact O-CB 3.49Å; V312-C316 PolarHBondContact O-N 3.44Å; V312-C316 PolarHBondContact O-SG 3.1Å; V312-I434 HydrophobicContact CB-CD1 3.99Å; V312-I434 HydrophobicContact CG1-CD1 3.97Å; V312-I434 HydrophobicContact CG2-CD1 3.88Å; V312-F439 HydrophobicContact CG1-CD2 4.06Å; V312-F439 HydrophobicContact CG1-CE2 4.18Å; V312-Y466 HydrophobicContact CG2-CD2 4.3Å; V312-Y466 HydrophobicContact CG2-CE2 3.9Å
313	F	82.1	Confident	80.9	Confident	22 Å²	22	43.4 Å²	43.4	10%	0.096	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-46.1	174.5	-82	-74	0	0	0	112.1	R309 L315 C316 E317 W337 I442	R309-F313 HydrophobicContact CG-CD2 3.67Å; R309-F313 HydrophobicContact CG-CE2 3.67Å; R309-F313 VanDerWaalsContact O-CD2 3.27Å; R309-F313 WeakPolarHBondContact O-CD2 3.33Å; R309-F313 PolarHBondContact O-N 2.91Å; F313-L315 VanDerWaalsContact C-N 3.35Å; F313-L315 PolarHBondContact O-N 3.5Å; F313-C316 WeakPolarHBondContact O-CB 3.44Å; F313-C316 PolarHBondContact O-N 3.41Å; F313-C316 VanDerWaalsContact O-N 3.11Å; F313-E317 WeakPolarHBondContact O-CB 3.5Å; F313-E317 VanDerWaalsContact O-CG 3.32Å; F313-E317 WeakPolarHBondContact O-CG 3.44Å; F313-E317 PolarHBondContact O-N 3.11Å; F313-W337 HydrophobicContact CE1-CB 3.61Å; F313-W337 AromaticContact CE1-CD1 3.62Å; F313-W337 HydrophobicContact CE1-CD2 4.35Å; F313-W337 AromaticContact CE1-CG 3.54Å; F313-W337 HydrophobicContact CE1-CG 3.54Å; F313-W337 HydrophobicContact CZ-CB 4.15Å; F313-W337 AromaticContact CZ-CD1 3.25Å; F313-W337 HydrophobicContact CZ-CD2 4.12Å; F313-W337 AromaticContact CZ-CG 3.55Å; F313-W337 HydrophobicContact CZ-CG 3.55Å; F313-W337 AromaticContact CZ-NE1 3.65Å; F313-I442 HydrophobicContact CE1-CG2 4.17Å; F313-I442 HydrophobicContact CE2-CD1 3.99Å; F313-I442 HydrophobicContact CZ-CD1 3.98Å; F313-I442 HydrophobicContact CZ-CG1 4.14Å; F313-I442 HydrophobicContact CZ-CG2 3.98Å
314	Q	82.1	Confident	81.4	Confident	98 Å²	98	44.7 Å²	44.7	46%	0.458	24%	0.235	S	C	.	.	H	α-helix	trans	-57.6	-45.2	177.8	-172.2	63.7	49	0	0	112.3	A310 Q311 C316 E317 D318	A310-Q314 WeakPolarHBondContact O-CB 3.41Å; A310-Q314 PolarHBondContact O-N 2.89Å; Q311-Q314 PolarHBondContact O-N 2.68Å; Q314-C316 VanDerWaalsContact C-N 3.32Å; Q314-C316 PolarHBondContact O-N 3.38Å; Q314-E317 PolarHBondContact O-N 3.31Å; Q314-D318 PolarHBondContact NE2-OD1 3.02Å; Q314-D318 WeakPolarHBondContact O-CB 3.36Å; Q314-D318 PolarHBondContact O-N 3.45Å
315	L	82.9	Confident	82.2	Confident	28 Å²	28	49.5 Å²	49.5	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-36.4	177.7	-72.7	170.8	0	0	0	112.5	Q311 V312 F313 Y319 Y462 L463 Y466	Q311-L315 WeakPolarHBondContact O-CB 3.33Å; Q311-L315 WeakPolarHBondContact O-CG 3.49Å; Q311-L315 PolarHBondContact O-N 3.18Å; V312-L315 PolarHBondContact O-N 3.24Å; F313-L315 VanDerWaalsContact C-N 3.35Å; F313-L315 PolarHBondContact O-N 3.5Å; L315-Y319 VanDerWaalsContact O-CB 3.25Å; L315-Y319 WeakPolarHBondContact O-CB 3.4Å; L315-Y319 PolarHBondContact O-N 2.88Å; L315-Y462 HydrophobicContact CD2-CE1 4.25Å; L315-Y462 WeakPolarHBondContact O-CE1 3.25Å; L315-L463 HydrophobicContact CB-CD2 3.93Å; L315-L463 HydrophobicContact CD1-CD2 4.45Å; L315-Y466 HydrophobicContact CD1-CD2 3.56Å; L315-Y466 HydrophobicContact CD1-CG 4.12Å
316	C	85.1	Confident	82.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-43.6	174.6	-73.7	0	0	0	0	111.2	V312 F313 Q314 Y319 F320 P334 I446	V312-C316 WeakPolarHBondContact O-CB 3.49Å; V312-C316 PolarHBondContact O-N 3.44Å; V312-C316 PolarHBondContact O-SG 3.1Å; F313-C316 WeakPolarHBondContact O-CB 3.44Å; F313-C316 PolarHBondContact O-N 3.41Å; F313-C316 VanDerWaalsContact O-N 3.11Å; Q314-C316 VanDerWaalsContact C-N 3.32Å; Q314-C316 PolarHBondContact O-N 3.38Å; C316-Y319 PolarHBondContact O-N 3.48Å; C316-F320 WeakPolarHBondContact O-CB 3.43Å; C316-F320 PolarHBondContact O-N 3.02Å; C316-P334 HydrophobicContact CB-CB 3.94Å; C316-P334 HydrophobicContact CB-CG 3.73Å; C316-I446 HydrophobicContact CB-CD1 3.74Å; C316-I446 VanDerWaalsContact SG-CD1 3.52Å
317	E	85.8	Confident	83	Confident	50 Å²	50	52 Å²	52	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-47.5	176	-71.2	175.9	-170.3	0	0	111.2	F313 Q314 Y319 F320 D321 P334 R335	F313-E317 WeakPolarHBondContact O-CB 3.5Å; F313-E317 VanDerWaalsContact O-CG 3.32Å; F313-E317 WeakPolarHBondContact O-CG 3.44Å; F313-E317 PolarHBondContact O-N 3.11Å; Q314-E317 PolarHBondContact O-N 3.31Å; E317-Y319 VanDerWaalsContact C-N 3.3Å; E317-Y319 PolarHBondContact O-N 3.37Å; E317-F320 PolarHBondContact O-N 3.26Å; E317-F320 VanDerWaalsContact O-N 3.16Å; E317-D321 WeakPolarHBondContact O-CB 3.39Å; E317-D321 PolarHBondContact O-N 3.23Å; E317-P334 HydrophobicContact CG-CB 4.01Å; E317-R335 HydrophobicContact CG-CG 4.05Å
318	D	85.7	Confident	83.3	Confident	59 Å²	59	54.3 Å²	54.3	32%	0.316	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-41.7	176.3	-68.3	-14.1	0	0	0	111.4	Q314 T322 Y462	Q314-D318 PolarHBondContact NE2-OD1 3.02Å; Q314-D318 WeakPolarHBondContact O-CB 3.36Å; Q314-D318 PolarHBondContact O-N 3.45Å; D318-T322 VanDerWaalsContact O-CB 3.27Å; D318-T322 WeakPolarHBondContact O-CB 3.23Å; D318-T322 PolarHBondContact O-N 2.81Å; D318-T322 PolarHBondContact O-OG1 2.84Å; D318-Y462 HydrophobicContact CB-CE1 4.49Å; D318-Y462 WeakPolarHBondContact CB-OH 3.4Å
319	Y	85.4	Confident	83.6	Confident	19 Å²	19	59.5 Å²	59.5	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-48.6	174.9	178.6	-101.6	0	0	0	111.1	L315 C316 E317 D321 T322 C323 I331 C459 Y462	L315-Y319 VanDerWaalsContact O-CB 3.25Å; L315-Y319 WeakPolarHBondContact O-CB 3.4Å; L315-Y319 PolarHBondContact O-N 2.88Å; C316-Y319 PolarHBondContact O-N 3.48Å; E317-Y319 VanDerWaalsContact C-N 3.3Å; E317-Y319 PolarHBondContact O-N 3.37Å; Y319-D321 PolarHBondContact O-N 3.37Å; Y319-T322 PolarHBondContact O-N 2.8Å; Y319-C323 VanDerWaalsContact CE1-SG 3.53Å; Y319-C323 VanDerWaalsContact CZ-SG 3.57Å; Y319-C323 PolarHBondContact O-N 3.38Å; Y319-C323 VanDerWaalsContact O-N 3.09Å; Y319-C323 PolarHBondContact O-SG 2.66Å; Y319-I331 HydrophobicContact CD1-CD1 4.44Å; Y319-I331 HydrophobicContact CE1-CD1 4.14Å; Y319-C459 HydrophobicContact CD1-CB 4.35Å; Y319-C459 HydrophobicContact CE1-CB 3.72Å; Y319-C459 HydrophobicContact CE2-CB 4.23Å; Y319-Y462 AromaticContact CD2-CD1 3.95Å; Y319-Y462 HydrophobicContact CD2-CD1 3.95Å; Y319-Y462 AromaticContact CD2-CD2 3.81Å; Y319-Y462 HydrophobicContact CD2-CD2 3.81Å; Y319-Y462 HydrophobicContact CD2-CE2 4.4Å; Y319-Y462 AromaticContact CD2-CG 3.55Å; Y319-Y462 HydrophobicContact CD2-CG 3.55Å; Y319-Y462 HydrophobicContact CE2-CG 4.37Å; Y319-Y462 HydrophobicContact CG-CD1 4.27Å; Y319-Y462 HydrophobicContact CG-CG 4.32Å
320	F	86	Confident	84.1	Confident	21 Å²	21	60.5 Å²	60.5	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-48.3	179.1	-177.4	-90.3	0	0	0	110.8	C316 E317 T322 C323 K328 I331 D333 P334	C316-F320 WeakPolarHBondContact O-CB 3.43Å; C316-F320 PolarHBondContact O-N 3.02Å; E317-F320 PolarHBondContact O-N 3.26Å; E317-F320 VanDerWaalsContact O-N 3.16Å; F320-T322 VanDerWaalsContact C-N 3.31Å; F320-T322 PolarHBondContact O-N 3.41Å; F320-C323 WeakPolarHBondContact O-CB 3.44Å; F320-C323 PolarHBondContact O-N 3.36Å; F320-C323 VanDerWaalsContact O-N 3.13Å; F320-K328 HydrophobicContact CE1-CD 4.33Å; F320-K328 HydrophobicContact CE1-CG 4.44Å; F320-K328 HydrophobicContact CE2-CB 4.28Å; F320-K328 HydrophobicContact CE2-CG 4.18Å; F320-K328 HydrophobicContact CZ-CB 4.24Å; F320-K328 HydrophobicContact CZ-CD 4.38Å; F320-K328 HydrophobicContact CZ-CG 4.11Å; F320-K328 WeakPolarHBondContact O-CE 3.45Å; F320-I331 HydrophobicContact CD2-CD1 3.69Å; F320-I331 HydrophobicContact CD2-CG1 3.85Å; F320-I331 HydrophobicContact CE2-CD1 4.32Å; F320-I331 HydrophobicContact CE2-CG1 4Å; F320-D333 HydrophobicContact CE1-CB 4.13Å; F320-D333 WeakPolarHBondContact CE1-OD2 3.24Å; F320-D333 HydrophobicContact CE2-CB 4.01Å; F320-D333 HydrophobicContact CZ-CB 3.77Å; F320-P334 HydrophobicContact CB-CG 4.15Å
321	D	88.4	Confident	84.4	Confident	79 Å²	79	57.5 Å²	57.5	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-36.2	-178.6	-74.3	-18.2	0	0	0	112.3	E317 Y319 C323 K328 R335	E317-D321 WeakPolarHBondContact O-CB 3.39Å; E317-D321 PolarHBondContact O-N 3.23Å; Y319-D321 PolarHBondContact O-N 3.37Å; D321-C323 VanDerWaalsContact C-N 3.33Å; D321-C323 PolarHBondContact O-N 2.8Å; D321-K328 PolarHBondContact O-NZ 3.38Å; D321-R335 IonicContact OD1-CZ 3.48Å; D321-R335 IonicContact OD1-NH1 3.63Å; D321-R335 PolarHBondContact OD1-NH1 2.99Å; D321-R335 IonicContact OD1-NH2 2.63Å; D321-R335 PolarHBondContact OD1-NH2 3Å; D321-R335 IonicContact OD2-NH1 3.96Å; D321-R335 PolarHBondContact OD2-NH1 3.28Å; D321-R335 VanDerWaalsContact OD2-NH1 3.15Å
322	T	86	Confident	84.6	Confident	107 Å²	107	60.3 Å²	60.3	66%	0.656	30%	0.302	S	S	*	.	H	α-helix	trans	-71.7	-22.2	176.6	-55.5	0	0	0	0	113.4	D318 Y319 F320	D318-T322 VanDerWaalsContact O-CB 3.27Å; D318-T322 WeakPolarHBondContact O-CB 3.23Å; D318-T322 PolarHBondContact O-N 2.81Å; D318-T322 PolarHBondContact O-OG1 2.84Å; Y319-T322 PolarHBondContact O-N 2.8Å; F320-T322 VanDerWaalsContact C-N 3.31Å; F320-T322 PolarHBondContact O-N 3.41Å
323	C	84.5	Confident	84.6	Confident	15 Å²	15	61.7 Å²	61.7	10%	0.101	31%	0.309	C	S	.	.	S	Bend	trans	-68.4	148.6	-175.1	-80.3	0	0	0	0	113.5	Y319 F320 D321 I327 K328	Y319-C323 VanDerWaalsContact CE1-SG 3.53Å; Y319-C323 VanDerWaalsContact CZ-SG 3.57Å; Y319-C323 PolarHBondContact O-N 3.38Å; Y319-C323 VanDerWaalsContact O-N 3.09Å; Y319-C323 PolarHBondContact O-SG 2.66Å; F320-C323 WeakPolarHBondContact O-CB 3.44Å; F320-C323 PolarHBondContact O-N 3.36Å; F320-C323 VanDerWaalsContact O-N 3.13Å; D321-C323 VanDerWaalsContact C-N 3.33Å; D321-C323 PolarHBondContact O-N 2.8Å; C323-I327 HydrophobicContact CB-CB 4.07Å; C323-I327 HydrophobicContact CB-CG2 4.01Å; C323-K328 HydrophobicContact CB-CG 4.15Å; C323-K328 WeakPolarHBondContact O-CE 3.32Å
324	Q	85.5	Confident	84.5	Confident	140 Å²	140	60.7 Å²	60.7	65%	0.654	31%	0.305	S	S	*	.			trans	-65.7	153.6	168.7	-67.3	-178.6	-16	0	0	110.7	I326 I327 K328	Q324-I326 PolarHBondContact O-N 2.85Å; Q324-I327 WeakPolarHBondContact O-CB 3.38Å; Q324-I327 PolarHBondContact O-N 3.32Å; Q324-K328 PolarHBondContact O-N 3Å; Q324-K328 VanDerWaalsContact O-N 3.08Å
325	Q	85.4	Confident	84.4	Confident	121 Å²	121	60.8 Å²	60.8	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-54.9	-39	-178	-167.8	60	40.3	0	0	112.9	I327 K328 D329	Q325-I327 PolarHBondContact O-N 3.49Å; Q325-K328 WeakPolarHBondContact O-CA 3.38Å; Q325-K328 WeakPolarHBondContact O-CB 3.48Å; Q325-K328 PolarHBondContact O-N 3.47Å; Q325-D329 PolarHBondContact NE2-OD1 2.86Å; Q325-D329 PolarHBondContact O-N 3.43Å
326	I	84.5	Confident	83.8	Confident	114 Å²	114	62.7 Å²	62.7	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-57.2	-36.8	177.1	-59.4	168.7	0	0	0	112	Q324 M330	Q324-I326 PolarHBondContact O-N 2.85Å; I326-M330 HydrophobicContact CG2-CE 4.04Å; I326-M330 WeakPolarHBondContact O-CG 3.2Å
327	I	84.1	Confident	82.9	Confident	36 Å²	36	62.9 Å²	62.9	19%	0.185	31%	0.312	C	S	.	.	H	α-helix	trans	-76.8	-42	177.2	-61.7	170.9	0	0	0	109.7	C323 Q324 Q325 D329 M330 I331 I455	C323-I327 HydrophobicContact CB-CB 4.07Å; C323-I327 HydrophobicContact CB-CG2 4.01Å; Q324-I327 WeakPolarHBondContact O-CB 3.38Å; Q324-I327 PolarHBondContact O-N 3.32Å; Q325-I327 PolarHBondContact O-N 3.49Å; I327-D329 PolarHBondContact O-N 3.27Å; I327-M330 WeakPolarHBondContact O-CA 3.34Å; I327-M330 PolarHBondContact O-N 2.75Å; I327-I331 HydrophobicContact CG2-CD1 4.03Å; I327-I331 HydrophobicContact CG2-CG1 4.47Å; I327-I331 HydrophobicContact CG2-CG2 4.42Å; I327-I331 WeakPolarHBondContact O-CG1 3.32Å; I327-I331 PolarHBondContact O-N 3.31Å; I327-I331 VanDerWaalsContact O-N 3.15Å; I327-I455 HydrophobicContact CG1-CD1 4.38Å; I327-I455 HydrophobicContact CG2-CD1 4.47Å; I327-I455 HydrophobicContact CG2-CG2 3.93Å
328	K	85.2	Confident	81.5	Confident	50 Å²	50	64 Å²	64	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-32.9	176.6	-68.8	-179.7	171.4	174.2	0	112.5	F320 D321 C323 Q324 Q325 M330	F320-K328 HydrophobicContact CE1-CD 4.33Å; F320-K328 HydrophobicContact CE1-CG 4.44Å; F320-K328 HydrophobicContact CE2-CB 4.28Å; F320-K328 HydrophobicContact CE2-CG 4.18Å; F320-K328 HydrophobicContact CZ-CB 4.24Å; F320-K328 HydrophobicContact CZ-CD 4.38Å; F320-K328 HydrophobicContact CZ-CG 4.11Å; F320-K328 WeakPolarHBondContact O-CE 3.45Å; D321-K328 PolarHBondContact O-NZ 3.38Å; C323-K328 HydrophobicContact CB-CG 4.15Å; C323-K328 WeakPolarHBondContact O-CE 3.32Å; Q324-K328 PolarHBondContact O-N 3Å; Q324-K328 VanDerWaalsContact O-N 3.08Å; Q325-K328 WeakPolarHBondContact O-CA 3.38Å; Q325-K328 WeakPolarHBondContact O-CB 3.48Å; Q325-K328 PolarHBondContact O-N 3.47Å; K328-M330 PolarHBondContact O-N 3.3Å
329	D	83	Confident	79.6	Confident	118 Å²	118	62.6 Å²	62.6	63%	0.631	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.3	176.1	-57.5	-22.2	0	0	0	112.9	Q325 I327	Q325-D329 PolarHBondContact NE2-OD1 2.86Å; Q325-D329 PolarHBondContact O-N 3.43Å; I327-D329 PolarHBondContact O-N 3.27Å
330	M	84.7	Confident	77.7	Confident	84 Å²	84	65 Å²	65	41%	0.414	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-14.2	-178.8	-63.9	-173.6	-168.2	0	0	114.6	I326 I327 K328 P452 I455	I326-M330 HydrophobicContact CG2-CE 4.04Å; I326-M330 WeakPolarHBondContact O-CG 3.2Å; I327-M330 WeakPolarHBondContact O-CA 3.34Å; I327-M330 PolarHBondContact O-N 2.75Å; K328-M330 PolarHBondContact O-N 3.3Å; M330-P452 HydrophobicContact SD-CG 4.26Å; M330-I455 HydrophobicContact CB-CD1 4.47Å; M330-I455 HydrophobicContact SD-CD1 3.68Å
331	I	85.3	Confident	75.8	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.046	33%	0.331	C	S	.	.	S	Bend	trans	-117.5	157.7	179.2	66.2	178.4	0	0	0	109.9	Y319 F320 I327 I446 I455	Y319-I331 HydrophobicContact CD1-CD1 4.44Å; Y319-I331 HydrophobicContact CE1-CD1 4.14Å; F320-I331 HydrophobicContact CD2-CD1 3.69Å; F320-I331 HydrophobicContact CD2-CG1 3.85Å; F320-I331 HydrophobicContact CE2-CD1 4.32Å; F320-I331 HydrophobicContact CE2-CG1 4Å; I327-I331 HydrophobicContact CG2-CD1 4.03Å; I327-I331 HydrophobicContact CG2-CG1 4.47Å; I327-I331 HydrophobicContact CG2-CG2 4.42Å; I327-I331 WeakPolarHBondContact O-CG1 3.32Å; I327-I331 PolarHBondContact O-N 3.31Å; I327-I331 VanDerWaalsContact O-N 3.15Å; I331-I446 WeakPolarHBondContact CB-O 3.16Å; I331-I455 HydrophobicContact CG2-CG2 4.13Å
332	H	82.5	Confident	73.2	Confident	93 Å²	93	64.5 Å²	64.5	43%	0.431	32%	0.321	S	S	.	.			trans	-88.5	144.9	175.6	-67.5	-42.4	0	0	0	110.8	P334 F445 I446 P448	H332-P334 WeakPolarHBondContact O-CD 3.5Å; H332-F445 HydrophobicContact CB-CE1 4.24Å; H332-F445 HydrophobicContact CB-CE2 4.45Å; H332-F445 HydrophobicContact CB-CZ 4.2Å; H332-F445 PolarHBondContact CD2-O 3.43Å; H332-I446 PolarHBondContact N-O 3.36Å; H332-P448 WeakPolarHBondContact CD2-CG 3.36Å; H332-P448 VanDerWaalsContact NE2-CG 3.33Å; H332-P448 WeakPolarHBondContact NE2-CG 3.38Å
333	D	82.2	Confident	70.8	Confident	31 Å²	31	60.9 Å²	60.9	17%	0.166	30%	0.297	C	S	.	.			trans	-65.7	122.9	175.3	-166.9	-38.2	0	0	0	108.8	F320 R335 D336	F320-D333 HydrophobicContact CE1-CB 4.13Å; F320-D333 WeakPolarHBondContact CE1-OD2 3.24Å; F320-D333 HydrophobicContact CE2-CB 4.01Å; F320-D333 HydrophobicContact CZ-CB 3.77Å; D333-R335 PolarHBondContact O-N 2.84Å; D333-R335 VanDerWaalsContact OD1-CB 3.29Å; D333-R335 WeakPolarHBondContact OD1-CB 3.27Å; D333-R335 WeakPolarHBondContact OD1-CG 3.43Å; D333-R335 IonicContact OD1-CZ 3.24Å; D333-R335 PolarHBondContact OD1-N 2.98Å; D333-R335 IonicContact OD1-NE 3.37Å; D333-R335 PolarHBondContact OD1-NE 3.08Å; D333-R335 IonicContact OD1-NH2 2.71Å; D333-R335 IonicContact OD2-CZ 2.72Å; D333-R335 IonicContact OD2-NE 3.77Å; D333-R335 PolarHBondContact OD2-NE 2.97Å; D333-R335 VanDerWaalsContact OD2-NE 3.11Å; D333-R335 IonicContact OD2-NH2 3.82Å; D333-R335 PolarHBondContact OD2-NH2 3.41Å; D333-D336 WeakPolarHBondContact O-CB 3.49Å; D333-D336 PolarHBondContact O-N 3.37Å
334	P	79.6	Confident	68.4	Low	1 Å²	1	63.5 Å²	63.5	1%	0.006	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.4	177.7	-24.2	33.8	0	0	0	113.6	C316 E317 F320 H332 D336 W337 I446	C316-P334 HydrophobicContact CB-CB 3.94Å; C316-P334 HydrophobicContact CB-CG 3.73Å; E317-P334 HydrophobicContact CG-CB 4.01Å; F320-P334 HydrophobicContact CB-CG 4.15Å; H332-P334 WeakPolarHBondContact O-CD 3.5Å; P334-D336 PolarHBondContact O-N 3.37Å; P334-W337 WeakPolarHBondContact O-CB 3.17Å; P334-W337 PolarHBondContact O-N 3.41Å; P334-I446 HydrophobicContact CB-CD1 4.01Å; P334-I446 HydrophobicContact CB-CG1 4.35Å; P334-I446 HydrophobicContact CG-CD1 4.14Å; P334-I446 HydrophobicContact CG-CG1 4.33Å; P334-I446 HydrophobicContact CG-CG2 4.13Å
335	R	80	Confident	65.5	Low	100 Å²	100	64.1 Å²	64.1	38%	0.377	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-65.1	-26.6	178.7	-65.8	167.8	-77.7	-137.5	-1.9	112.1	E317 D321 D333 W337 S338	E317-R335 HydrophobicContact CG-CG 4.05Å; D321-R335 IonicContact OD1-CZ 3.48Å; D321-R335 IonicContact OD1-NH1 3.63Å; D321-R335 PolarHBondContact OD1-NH1 2.99Å; D321-R335 IonicContact OD1-NH2 2.63Å; D321-R335 PolarHBondContact OD1-NH2 3Å; D321-R335 IonicContact OD2-NH1 3.96Å; D321-R335 PolarHBondContact OD2-NH1 3.28Å; D321-R335 VanDerWaalsContact OD2-NH1 3.15Å; D333-R335 PolarHBondContact O-N 2.84Å; D333-R335 VanDerWaalsContact OD1-CB 3.29Å; D333-R335 WeakPolarHBondContact OD1-CB 3.27Å; D333-R335 WeakPolarHBondContact OD1-CG 3.43Å; D333-R335 IonicContact OD1-CZ 3.24Å; D333-R335 PolarHBondContact OD1-N 2.98Å; D333-R335 IonicContact OD1-NE 3.37Å; D333-R335 PolarHBondContact OD1-NE 3.08Å; D333-R335 IonicContact OD1-NH2 2.71Å; D333-R335 IonicContact OD2-CZ 2.72Å; D333-R335 IonicContact OD2-NE 3.77Å; D333-R335 PolarHBondContact OD2-NE 2.97Å; D333-R335 VanDerWaalsContact OD2-NE 3.11Å; D333-R335 IonicContact OD2-NH2 3.82Å; D333-R335 PolarHBondContact OD2-NH2 3.41Å; R335-W337 PolarHBondContact O-N 3.36Å; R335-S338 PolarHBondContact O-OG 2.91Å
336	D	71.7	Confident	62.7	Low	68 Å²	68	63 Å²	63	36%	0.364	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-76.4	-1.1	173.7	-67.1	-32.2	0	0	0	112.8	D333 P334 T339 R340 F445	D333-D336 WeakPolarHBondContact O-CB 3.49Å; D333-D336 PolarHBondContact O-N 3.37Å; P334-D336 PolarHBondContact O-N 3.37Å; D336-T339 WeakPolarHBondContact CA-OG1 3.36Å; D336-T339 WeakPolarHBondContact CB-OG1 3.43Å; D336-T339 CarbonylContact O-C 3.57Å; D336-T339 WeakPolarHBondContact O-CA 3.33Å; D336-T339 WeakPolarHBondContact O-CB 3.44Å; D336-T339 PolarHBondContact O-N 3.2Å; D336-T339 VanDerWaalsContact O-N 3.11Å; D336-T339 PolarHBondContact O-OG1 3.48Å; D336-R340 PolarHBondContact O-N 3.42Å; D336-F445 HydrophobicContact CB-CZ 4.35Å
337	W	66.4	Low	59.8	Low	6 Å²	6	63.4 Å²	63.4	2%	0.023	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-64	-40	174.3	175.9	-92.5	0	0	0	112.2	F313 P334 R335 T339 R340 E341 I442 F445 Y961	F313-W337 HydrophobicContact CE1-CB 3.61Å; F313-W337 AromaticContact CE1-CD1 3.62Å; F313-W337 HydrophobicContact CE1-CD2 4.35Å; F313-W337 AromaticContact CE1-CG 3.54Å; F313-W337 HydrophobicContact CE1-CG 3.54Å; F313-W337 HydrophobicContact CZ-CB 4.15Å; F313-W337 AromaticContact CZ-CD1 3.25Å; F313-W337 HydrophobicContact CZ-CD2 4.12Å; F313-W337 AromaticContact CZ-CG 3.55Å; F313-W337 HydrophobicContact CZ-CG 3.55Å; F313-W337 AromaticContact CZ-NE1 3.65Å; P334-W337 WeakPolarHBondContact O-CB 3.17Å; P334-W337 PolarHBondContact O-N 3.41Å; R335-W337 PolarHBondContact O-N 3.36Å; W337-T339 PolarHBondContact O-N 3.38Å; W337-R340 WeakPolarHBondContact O-CA 3.42Å; W337-R340 WeakPolarHBondContact O-CB 3.41Å; W337-R340 PolarHBondContact O-N 2.87Å; W337-E341 PolarHBondContact O-N 2.68Å; W337-I442 HydrophobicContact CD2-CG1 4.34Å; W337-I442 HydrophobicContact CH2-CB 4.41Å; W337-I442 HydrophobicContact CH2-CG1 3.79Å; W337-I442 HydrophobicContact CZ2-CG1 3.58Å; W337-I442 HydrophobicContact CZ3-CB 4.5Å; W337-I442 HydrophobicContact CZ3-CG1 4.28Å; W337-F445 HydrophobicContact CB-CD1 4.43Å; W337-F445 HydrophobicContact CB-CE1 4.09Å; W337-F445 HydrophobicContact CD2-CD1 4.44Å; W337-F445 HydrophobicContact CE3-CB 3.75Å; W337-F445 AromaticContact CE3-CD1 3.41Å; W337-F445 HydrophobicContact CE3-CD1 3.41Å; W337-F445 VanDerWaalsContact CE3-CD1 3.41Å; W337-F445 HydrophobicContact CE3-CE1 4.06Å; W337-F445 AromaticContact CE3-CG 3.64Å; W337-F445 HydrophobicContact CE3-CG 3.64Å; W337-F445 HydrophobicContact CZ3-CB 3.46Å; W337-F445 VanDerWaalsContact CZ3-CB 3.46Å; W337-F445 HydrophobicContact CZ3-CD1 4.09Å; W337-F445 AromaticContact CZ3-CG 3.85Å; W337-F445 HydrophobicContact CZ3-CG 3.85Å; W337-Y961 AromaticContact CH2-CD2 3.97Å; W337-Y961 HydrophobicContact CH2-CD2 3.97Å; W337-Y961 HydrophobicContact CH2-CE2 4.4Å; W337-Y961 HydrophobicContact CH2-CG 4.36Å; W337-Y961 HydrophobicContact CZ2-CD1 4.28Å; W337-Y961 AromaticContact CZ2-CD2 3.68Å; W337-Y961 HydrophobicContact CZ2-CD2 3.68Å; W337-Y961 HydrophobicContact CZ2-CE1 4.41Å; W337-Y961 AromaticContact CZ2-CE2 3.81Å; W337-Y961 HydrophobicContact CZ2-CE2 3.81Å; W337-Y961 AromaticContact CZ2-CG 3.94Å; W337-Y961 HydrophobicContact CZ2-CG 3.94Å
338	S	55.8	Low	57.2	Low	72 Å²	72	66 Å²	66	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-33.6	173.1	64.3	0	0	0	0	110.9	R335 R340 E341 Y342	R335-S338 PolarHBondContact O-OG 2.91Å; S338-R340 VanDerWaalsContact C-N 3.31Å; S338-R340 PolarHBondContact O-N 3.47Å; S338-E341 CarbonylContact O-C 3.58Å; S338-E341 WeakPolarHBondContact O-CA 3.4Å; S338-E341 VanDerWaalsContact O-CB 3.31Å; S338-E341 WeakPolarHBondContact O-CB 3.31Å; S338-E341 PolarHBondContact O-N 2.87Å; S338-Y342 PolarHBondContact O-N 3.41Å
339	T	44.7	Very low	54.3	Low	31 Å²	31	69.8 Å²	69.8	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-73.7	-8.8	170.2	41	0	0	0	0	114.2	D336 W337 Y342 H343	D336-T339 WeakPolarHBondContact CA-OG1 3.36Å; D336-T339 WeakPolarHBondContact CB-OG1 3.43Å; D336-T339 CarbonylContact O-C 3.57Å; D336-T339 WeakPolarHBondContact O-CA 3.33Å; D336-T339 WeakPolarHBondContact O-CB 3.44Å; D336-T339 PolarHBondContact O-N 3.2Å; D336-T339 VanDerWaalsContact O-N 3.11Å; D336-T339 PolarHBondContact O-OG1 3.48Å; W337-T339 PolarHBondContact O-N 3.38Å; T339-Y342 CarbonylContact O-C 3.59Å; T339-Y342 PolarHBondContact O-N 3.04Å; T339-H343 HydrophobicContact CG2-CB 4.26Å; T339-H343 CarbonylContact O-C 3.6Å; T339-H343 WeakPolarHBondContact O-CA 3.43Å; T339-H343 PolarHBondContact O-N 3.09Å
340	R	46.1	Very low	51.5	Low	68 Å²	68	71.8 Å²	71.8	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-74.6	-31.8	158.2	-94.2	-165.2	175.5	-174.6	6	112.4	D336 W337 S338 Y342 F445	D336-R340 PolarHBondContact O-N 3.42Å; W337-R340 WeakPolarHBondContact O-CA 3.42Å; W337-R340 WeakPolarHBondContact O-CB 3.41Å; W337-R340 PolarHBondContact O-N 2.87Å; S338-R340 VanDerWaalsContact C-N 3.31Å; S338-R340 PolarHBondContact O-N 3.47Å; R340-Y342 PolarHBondContact O-N 3.09Å; R340-F445 HydrophobicContact CG-CD2 4.26Å; R340-F445 HydrophobicContact CG-CE2 3.91Å; R340-F445 HydrophobicContact CG-CZ 4.42Å
341	E	45.7	Very low	48.6	Very low	32 Å²	32	72.6 Å²	72.6	15%	0.15	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-20.9	170.1	-69.3	173.6	-158.1	0	0	111.2	R309 W337 S338 C426	R309-E341 IonicContact CZ-OE1 3.24Å; R309-E341 IonicContact NH1-OE1 3.62Å; R309-E341 IonicContact NH2-OE1 2.82Å; R309-E341 PolarHBondContact NH2-OE1 3.18Å; W337-E341 PolarHBondContact O-N 2.68Å; S338-E341 CarbonylContact O-C 3.58Å; S338-E341 WeakPolarHBondContact O-CA 3.4Å; S338-E341 VanDerWaalsContact O-CB 3.31Å; S338-E341 WeakPolarHBondContact O-CB 3.31Å; S338-E341 PolarHBondContact O-N 2.87Å; E341-C426 HydrophobicContact CB-CB 3.75Å; E341-C426 HydrophobicContact CG-CB 3.94Å; E341-C426 PolarHBondContact O-SG 2.82Å
342	Y	34.4	Very low	45.8	Very low	58 Å²	58	77.5 Å²	77.5	23%	0.227	41%	0.408	C	S	.	.	H	α-helix	trans	-125.4	-45.8	-173.6	-157.1	-111.6	0	0	0	117.8	S338 T339 R340 L422	S338-Y342 PolarHBondContact O-N 3.41Å; T339-Y342 CarbonylContact O-C 3.59Å; T339-Y342 PolarHBondContact O-N 3.04Å; R340-Y342 PolarHBondContact O-N 3.09Å; Y342-L422 HydrophobicContact CE2-CB 4.35Å; Y342-L422 HydrophobicContact CE2-CD1 3.95Å
343	H	35.6	Very low	42.9	Very low	32 Å²	32	77.9 Å²	77.9	15%	0.148	42%	0.417	C	S	.	.			trans	-148.5	113.8	-173	-67.3	-31.1	0	0	0	116.5	T339 K345 K998 D1002	T339-H343 HydrophobicContact CG2-CB 4.26Å; T339-H343 CarbonylContact O-C 3.6Å; T339-H343 WeakPolarHBondContact O-CA 3.43Å; T339-H343 PolarHBondContact O-N 3.09Å; H343-K345 PolarHBondContact O-N 3.34Å; H343-K998 WeakPolarHBondContact CE1-CE 3.43Å; H343-K998 PolarHBondContact CE1-NZ 3.09Å; H343-K998 WeakPolarHBondContact ND1-CE 3.4Å; H343-K998 WeakPolarHBondContact NE2-CE 3.42Å; H343-K998 PolarHBondContact NE2-NZ 3.34Å; H343-K998 VanDerWaalsContact NE2-NZ 3.1Å; H343-D1002 IonicContact CE1-OD1 3.65Å; H343-D1002 IonicContact ND1-OD1 3.63Å
344	L	33	Very low	40.2	Very low	70 Å²	70	81.6 Å²	81.6	37%	0.366	44%	0.44	S	S	.	.			trans	-64.3	99.2	150.2	-94.6	157.2	0	0	0	109.1	L346 V964 Y973 L1001	L344-L346 PolarHBondContact O-N 2.88Å; L344-L346 VanDerWaalsContact O-N 3.17Å; L344-V964 HydrophobicContact CD1-CB 3.99Å; L344-V964 HydrophobicContact CD1-CG1 4.13Å; L344-V964 HydrophobicContact CD1-CG2 3.53Å; L344-Y973 HydrophobicContact CD1-CE1 4.02Å; L344-L1001 HydrophobicContact CB-CD2 3.87Å; L344-L1001 HydrophobicContact CD1-CD2 4.13Å
345	K	25.9	Very low	37.4	Very low	153 Å²	153	89 Å²	89	67%	0.665	48%	0.477	S	S	*	.			trans	-61.9	112.3	156.1	-87.3	177.3	178.7	166.6	0	107.5	H343 T347	H343-K345 PolarHBondContact O-N 3.34Å; K345-T347 PolarHBondContact O-N 2.86Å
346	L	26.6	Very low	34.9	Very low	98 Å²	98	91.3 Å²	91.3	51%	0.513	50%	0.497	S	S	.	.			trans	-60.4	86	163.5	-78.1	151.6	0	0	0	109.3	L344 F995	L344-L346 PolarHBondContact O-N 2.88Å; L344-L346 VanDerWaalsContact O-N 3.17Å; L346-F995 HydrophobicContact CD2-CB 4.25Å
347	T	23.4	Very low	32.6	Very low	121 Å²	121	93.6 Å²	93.6	74%	0.742	51%	0.513	S	S	*	.			trans	-120.1	62.2	153.8	53.9	0	0	0	0	107.6	K345	K345-T347 PolarHBondContact O-N 2.86Å
348	V	29.1	Very low	30.6	Very low	91 Å²	91	100.5 Å²	100.5	55%	0.552	55%	0.551	S	S	*	*			trans	-92.7	98.3	156.6	-179.4	0	0	0	0	104.7	E350 F995	V348-E350 PolarHBondContact O-N 3.4Å; V348-F995 HydrophobicContact CG2-CE2 4.48Å; V348-F995 HydrophobicContact CG2-CZ 4.32Å
349	T	24.8	Very low	29.1	Very low	129 Å²	129	106.1 Å²	106.1	79%	0.791	57%	0.569	S	S	*	*			trans	-46.3	111.4	159.9	-18	0	0	0	0	106.4	P351	T349-P351 VanDerWaalsContact O-CD 3.25Å; T349-P351 WeakPolarHBondContact O-CD 3.43Å; T349-P351 VanDerWaalsContact O-N 3.08Å
350	E	23.3	Very low	27.9	Very low	160 Å²	160	111 Å²	111	75%	0.748	60%	0.602	S	S	*	*			trans	-51.4	119.7	168.2	-70.9	-177.9	161.5	0	0	106.6	V348 V352	V348-E350 PolarHBondContact O-N 3.4Å; E350-V352 PolarHBondContact O-N 3.47Å
351	P	24.7	Very low	26.9	Very low	102 Å²	102	115.8 Å²	115.8	66%	0.662	63%	0.628	S	S	*	*			trans	-68	99.9	162	25.9	-22.1	0	0	0	104.3	T349 T353	T349-P351 VanDerWaalsContact O-CD 3.25Å; T349-P351 WeakPolarHBondContact O-CD 3.43Å; T349-P351 VanDerWaalsContact O-N 3.08Å; P351-T353 PolarHBondContact O-N 2.88Å
352	V	25.4	Very low	25.9	Very low	112 Å²	112	123.7 Å²	123.7	68%	0.679	66%	0.662	S	S	*	*			trans	-63.9	74.8	162.1	-178.1	0	0	0	0	106.2	E350 T354	E350-V352 PolarHBondContact O-N 3.47Å; V352-T354 VanDerWaalsContact C-N 3.31Å
353	T	23	Very low	25.2	Very low	101 Å²	101	129.4 Å²	129.4	62%	0.62	70%	0.696	S	S	*	*			trans	-100.5	67.5	159.6	51.9	0	0	0	0	105.8	P351 M355	P351-T353 PolarHBondContact O-N 2.88Å; T353-M355 PolarHBondContact O-N 3.22Å
354	T	24.5	Very low	24.7	Very low	108 Å²	108	132.5 Å²	132.5	66%	0.663	72%	0.721	S	S	*	*			trans	-57.8	100.7	141.3	45.7	0	0	0	0	104.8	V352 N356	V352-T354 VanDerWaalsContact C-N 3.31Å; T354-N356 PolarHBondContact O-N 3.13Å
355	M	22	Very low	24.4	Very low	157 Å²	157	138.9 Å²	138.9	77%	0.773	75%	0.746	S	S	*	*			trans	-55	83.5	170.6	-70.5	-80.8	-161.7	0	0	108.4	T353 T357	T353-M355 PolarHBondContact O-N 3.22Å; M355-T357 PolarHBondContact O-N 3.34Å
356	N	25.8	Very low	24.4	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	75%	0.752	S	S	*	*			trans	-72.4	86	151.3	-78.8	-10.5	0	0	0	104.7	T354 N358	T354-N356 PolarHBondContact O-N 3.13Å; N356-N358 PolarHBondContact O-N 3.33Å
357	T	23.4	Very low	24.5	Very low	117 Å²	117	140.9 Å²	140.9	72%	0.718	77%	0.768	S	S	*	*			trans	-51.2	93.9	159.2	32.1	0	0	0	0	107.7	M355	M355-T357 PolarHBondContact O-N 3.34Å
358	N	25.9	Very low	24.5	Very low	150 Å²	150	142 Å²	142	80%	0.802	77%	0.77	S	S	*	*			trans	-175.3	141.6	151	-83.1	-25.4	0	0	0	106.8	N356	N356-N358 PolarHBondContact O-N 3.33Å
359	E	24.8	Very low	24.3	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	78%	0.783	S	S	*	*			trans	91.8	49.7	175.4	-50	-175.3	178.5	0	0	117.1
360	C	19.1	Very low	24.4	Very low	132 Å²	132	144 Å²	144	89%	0.892	78%	0.781	S	S	*	*			trans	-91.6	83.9	140.8	-85.4	0	0	0	0	109.2
361	Q	23.4	Very low	24.5	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	78%	0.781	S	S	*	*			trans	-168.2	107.9	159.9	-107.9	168.5	24.8	0	0	107
362	F	25.6	Very low	24.5	Very low	199 Å²	199	143.2 Å²	143.2	87%	0.873	78%	0.78	S	S	*	*			trans	163.5	78.4	144.7	-88	-66.1	0	0	0	109.2
363	L	20.8	Very low	24.4	Very low	178 Å²	178	145.8 Å²	145.8	93%	0.932	79%	0.785	S	S	*	*			trans	-103.6	93.5	154	-93.1	159.8	0	0	0	106.4
364	S	24.8	Very low	24.4	Very low	96 Å²	96	147.8 Å²	147.8	67%	0.671	79%	0.792	S	S	*	*			trans	176.1	111.6	148.5	47.7	0	0	0	0	110.3
365	K	27	Very low	24.7	Very low	205 Å²	205	151.8 Å²	151.8	89%	0.891	80%	0.8	S	S	*	*			trans	159.6	90.3	135.3	-89.1	171.6	178.4	-177.6	0	108.5
366	V	25.4	Very low	24.7	Very low	131 Å²	131	153.2 Å²	153.2	79%	0.794	81%	0.805	S	S	*	*			trans	-83.6	116.2	152.5	173.6	0	0	0	0	104.5
367	D	28.7	Very low	24.7	Very low	161 Å²	161	154.2 Å²	154.2	86%	0.861	80%	0.804	S	S	*	*			trans	-164.2	80.2	152.1	-88	-26.9	0	0	0	105.2
368	D	23.8	Very low	24.8	Very low	145 Å²	145	153.3 Å²	153.3	78%	0.775	80%	0.803	S	S	*	*			trans	-66.3	120.1	155.7	-79.2	-40.8	0	0	0	107.1
369	D	24.9	Very low	24.6	Very low	156 Å²	156	154.4 Å²	154.4	83%	0.834	81%	0.808	S	S	*	*			trans	172.4	118.6	134.1	-92.9	-23.8	0	0	0	109.7
370	S	26	Very low	24.6	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	81%	0.805	S	S	*	*			trans	136.3	119.7	135.1	67.8	0	0	0	0	113.9
371	N	24.8	Very low	24.9	Very low	140 Å²	140	153.9 Å²	153.9	75%	0.749	80%	0.802	S	S	*	*			trans	87.8	114.8	136.8	-86.7	-8.8	0	0	0	120.3
372	T	25.8	Very low	24.9	Very low	104 Å²	104	156.6 Å²	156.6	64%	0.638	81%	0.806	S	S	*	*				94.4	102.3	123.4	49.4	0	0	0	0	118.4
373	E	23.2	Very low	24.9	Very low	167 Å²	167	154.1 Å²	154.1	78%	0.78	80%	0.802	S	S	*	*				76	112.4	119	-68.4	178.7	177.9	0	0	118.8
374	D	23.2	Very low	25.1	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	80%	0.795	S	S	*	*				54.2	110.1	128	-68.6	-15.1	0	0	0	119
375	K	30.4	Very low	25.1	Very low	192 Å²	192	151.5 Å²	151.5	84%	0.835	80%	0.8	S	S	*	*				-177	114.1	105.7	-95.9	158.1	-172.1	175.8	0	111.3	H377	K375-H377 PolarHBondContact O-N 2.84Å
376	Q	22.6	Very low	25.2	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	80%	0.798	S	S	*	*			trans	-64.6	121.1	157.3	-66.4	172.8	-19.3	0	0	109
377	H	26.2	Very low	25.2	Very low	168 Å²	168	148 Å²	148	78%	0.778	79%	0.794	S	S	*	*			trans	-152	105.6	153.1	-91.1	-62.7	0	0	0	111.1	K375	K375-H377 PolarHBondContact O-N 2.84Å
378	S	25.3	Very low	25.2	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	79%	0.794	S	S	*	*				61.6	99.4	127.1	-52	0	0	0	0	119.1	L380	S378-L380 PolarHBondContact O-N 3.28Å
379	L	21.2	Very low	25.2	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	79%	0.793	S	S	*	*			trans	-38.2	124.5	148.3	-73.1	137.6	0	0	0	112.6
380	L	25.5	Very low	25.3	Very low	159 Å²	159	147.7 Å²	147.7	83%	0.832	79%	0.792	S	S	*	*			trans	-116.2	108	162.7	-82.2	170.2	0	0	0	109	S378 Y382	S378-L380 PolarHBondContact O-N 3.28Å; L380-Y382 PolarHBondContact O-N 3.43Å
381	N	24.6	Very low	25.4	Very low	153 Å²	153	148 Å²	148	82%	0.818	79%	0.794	S	S	*	*			trans	-58.4	122.9	165.9	-87.8	-19.1	0	0	0	110.4
382	Y	23.9	Very low	25.3	Very low	225 Å²	225	149.8 Å²	149.8	88%	0.882	80%	0.798	S	S	*	*			trans	-105.7	98.6	160.7	-108.6	-90.5	0	0	0	108.5	L380	L380-Y382 PolarHBondContact O-N 3.43Å
383	N	24.3	Very low	25.4	Very low	147 Å²	147	153.1 Å²	153.1	79%	0.786	81%	0.806	S	S	*	*			trans	-81.4	110.9	164.6	-102.4	-4.2	0	0	0	108.1
384	G	26.7	Very low	25.4	Very low	76 Å²	76	151.7 Å²	151.7	78%	0.784	80%	0.804	S	S	*	*			trans	-109.6	91.8	169.6	0	0	0	0	0	109.9
385	N	24.6	Very low	25.6	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	80%	0.803	S	S	*	*			trans	-72	125.3	165.6	-68.4	-22	0	0	0	108.6
386	N	28.7	Very low	25.2	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	80%	0.797	S	S	*	*			trans	-141.6	103.6	153.3	-109.3	2.1	0	0	0	108.5
387	S	24.5	Very low	25.4	Very low	101 Å²	101	145 Å²	145	71%	0.706	79%	0.79	S	S	*	*			trans	-72.1	131.8	159.4	50.2	0	0	0	0	109
388	D	29.4	Very low	25.3	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	79%	0.79	S	S	*	*			trans	-148.2	127.5	147.3	-92.4	-33.2	0	0	0	109.5
389	N	23.7	Very low	25.3	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	79%	0.794	S	S	*	*			trans	-70.9	150	176.1	-60.4	-56.6	0	0	0	109.8
390	D	26.5	Very low	25.6	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	78%	0.784	S	S	*	*				-179.5	145.4	121.8	-94.1	-23.2	0	0	0	113.8
391	S	28.6	Very low	25.6	Very low	113 Å²	113	143.4 Å²	143.4	79%	0.79	78%	0.784	S	S	*	*			trans	73.5	94.6	155.4	57.8	0	0	0	0	119.8
392	Q	23.4	Very low	25.9	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	77%	0.765	S	S	*	*			trans	-34.4	132.6	144.5	-68.4	162.5	-50	0	0	114.2
393	H	26.4	Very low	26.5	Very low	174 Å²	174	129 Å²	129	81%	0.806	73%	0.733	S	S	*	*			trans	-140.3	97.4	138	-134.5	-50.6	0	0	0	108.1	D395	H393-D395 PolarHBondContact O-N 3.44Å
394	D	23.1	Very low	27	Very low	136 Å²	136	131.1 Å²	131.1	73%	0.727	73%	0.73	S	S	*	*			trans	-64	113.6	163.7	-95.1	-39.6	0	0	0	108.1
395	D	27.2	Very low	27.4	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	73%	0.731	S	S	*	*			trans	-121	85.1	151.2	-87.5	-26.3	0	0	0	107.3	H393 I397	H393-D395 PolarHBondContact O-N 3.44Å; D395-I397 VanDerWaalsContact C-N 3.32Å; D395-I397 PolarHBondContact O-N 3.33Å
396	S	23.8	Very low	27.8	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	70%	0.701	S	S	*	*			trans	-63.5	86.8	168.5	56.7	0	0	0	0	110.3
397	I	25	Very low	28.2	Very low	140 Å²	140	127.5 Å²	127.5	72%	0.718	69%	0.686	S	S	*	*			trans	-99.2	87.9	158.5	-59.1	179.6	0	0	0	107.1	D395 L399	D395-I397 VanDerWaalsContact C-N 3.32Å; D395-I397 PolarHBondContact O-N 3.33Å; I397-L399 VanDerWaalsContact C-N 3.26Å; I397-L399 HydrophobicContact CG2-CD1 3.88Å; I397-L399 HydrophobicContact CG2-CG 3.97Å; I397-L399 PolarHBondContact O-N 3.5Å
398	S	24.2	Very low	28.5	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	69%	0.694	S	S	*	*			trans	-62.9	83	168.1	-54.8	0	0	0	0	110.2
399	L	25.2	Very low	28.4	Very low	150 Å²	150	128.5 Å²	128.5	79%	0.785	68%	0.677	S	S	*	*			trans	-91.6	121.2	164.5	-84.3	160.8	0	0	0	108.8	I397 L401	I397-L399 VanDerWaalsContact C-N 3.26Å; I397-L399 HydrophobicContact CG2-CD1 3.88Å; I397-L399 HydrophobicContact CG2-CG 3.97Å; I397-L399 PolarHBondContact O-N 3.5Å; L399-L401 PolarHBondContact O-N 3Å
400	Q	27.8	Very low	28.7	Very low	147 Å²	147	125.1 Å²	125.1	69%	0.687	66%	0.662	S	S	*	*			trans	-66.4	121	-160.7	-60.7	-177.6	-60.7	0	0	112.8	G402 R1101	Q400-G402 PolarHBondContact O-N 3.12Å; Q400-R1101 VanDerWaalsContact NE2-NH1 3.11Å
401	L	26.2	Very low	28.6	Very low	158 Å²	158	124.8 Å²	124.8	83%	0.827	67%	0.665	S	S	*	*			trans	-73.1	41.9	173.5	-91.5	141	0	0	0	113.6	L399 T403	L399-L401 PolarHBondContact O-N 3Å; L401-T403 PolarHBondContact O-N 2.96Å
402	G	30.4	Very low	28.5	Very low	41 Å²	41	127.5 Å²	127.5	42%	0.423	66%	0.663	S	S	.	*			trans	-78.2	-15.2	-159.7	0	0	0	0	0	119.5	Q400	Q400-G402 PolarHBondContact O-N 3.12Å
403	T	36.2	Very low	28.6	Very low	34 Å²	34	123.4 Å²	123.4	21%	0.209	65%	0.652	C	S	.	*	S	Bend	trans	-122.9	-5.9	-168	49.5	0	0	0	0	115.9	L401 Q405 I1100 R1101 Y1181	L401-T403 PolarHBondContact O-N 2.96Å; T403-Q405 PolarHBondContact O-N 3Å; T403-I1100 HydrophobicContact CG2-CG2 4.32Å; T403-R1101 WeakPolarHBondContact CG2-O 3.45Å; T403-Y1181 WeakPolarHBondContact CB-O 3.47Å; T403-Y1181 PolarHBondContact OG1-O 3.04Å
404	R	35.2	Very low	28.5	Very low	192 Å²	192	121.2 Å²	121.2	73%	0.725	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-84.4	-1.9	-177.8	-75.2	-171	176.7	170.6	-0.6	115.8	L406	R404-L406 VanDerWaalsContact C-N 3.25Å; R404-L406 PolarHBondContact O-N 3.14Å
405	Q	35.6	Very low	28.8	Very low	174 Å²	174	119 Å²	119	81%	0.813	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-75	-9	-179.3	-83.4	-171.8	-27.5	0	0	114.6	T403	T403-Q405 PolarHBondContact O-N 3Å
406	L	33.4	Very low	29	Very low	28 Å²	28	116.1 Å²	116.1	15%	0.147	62%	0.621	C	S	.	*	G	3₁₀ helix	trans	-81.7	-18.5	178.9	-85.7	157.1	0	0	0	113.9	R404 E408 L1091 N1094 I1100 C1183	R404-L406 VanDerWaalsContact C-N 3.25Å; R404-L406 PolarHBondContact O-N 3.14Å; L406-E408 VanDerWaalsContact C-N 3.3Å; L406-E408 PolarHBondContact O-N 3.24Å; L406-L1091 HydrophobicContact CD1-CD1 4.02Å; L406-N1094 HydrophobicContact CD2-CB 3.76Å; L406-I1100 HydrophobicContact CD1-CD1 3.63Å; L406-I1100 HydrophobicContact CG-CD1 4.16Å; L406-C1183 HydrophobicContact CB-CB 4.34Å
407	D	36.4	Very low	29.3	Very low	101 Å²	101	117.4 Å²	117.4	54%	0.54	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-13.5	-174.8	-66.7	-20	0	0	0	113.4
408	E	30.5	Very low	29.8	Very low	185 Å²	185	114.2 Å²	114.2	86%	0.864	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	2.6	-177.3	-77.2	-171.1	168.8	0	0	114.8	L406	L406-E408 VanDerWaalsContact C-N 3.3Å; L406-E408 PolarHBondContact O-N 3.24Å
409	I	28.5	Very low	30.1	Very low	97 Å²	97	112.3 Å²	112.3	50%	0.497	58%	0.582	S	S	.	*	S	Bend	trans	-123.5	112.4	-176.6	-55.1	179.6	0	0	0	110.3
410	T	29.2	Very low	30.5	Very low	73 Å²	73	110.4 Å²	110.4	45%	0.448	57%	0.573	S	S	.	*			trans	79.8	93.6	154.1	53.2	0	0	0	0	120.1	F412	T410-F412 HydrophobicContact CG2-CD2 3.77Å; T410-F412 HydrophobicContact CG2-CE2 3.39Å; T410-F412 HydrophobicContact CG2-CZ 4.35Å
411	V	25.4	Very low	30.7	Very low	146 Å²	146	111 Å²	111	89%	0.885	58%	0.575	S	S	*	*			trans	-92.5	102.8	144.6	178.7	0	0	0	0	107.3
412	F	25.6	Very low	31	Very low	169 Å²	169	104.9 Å²	104.9	74%	0.741	54%	0.544	S	S	*	.			trans	-101.1	122.8	165.4	-82.6	-72.9	0	0	0	109	T410 I414	T410-F412 HydrophobicContact CG2-CD2 3.77Å; T410-F412 HydrophobicContact CG2-CE2 3.39Å; T410-F412 HydrophobicContact CG2-CZ 4.35Å; F412-I414 PolarHBondContact O-N 2.96Å
413	P	25.2	Very low	31	Very low	93 Å²	93	105.9 Å²	105.9	60%	0.604	54%	0.539	S	S	*	.			trans	-78.9	114.6	177.3	4.1	10.6	0	0	0	110.4	Q415	P413-Q415 HydrophobicContact CB-CB 4.42Å
414	I	25.2	Very low	30.9	Very low	128 Å²	128	112.4 Å²	112.4	66%	0.656	56%	0.564	S	S	*	*			trans	-90.2	95.6	160.9	-56.7	170.5	0	0	0	105.2	F412	F412-I414 PolarHBondContact O-N 2.96Å
415	Q	28.8	Very low	30.9	Very low	90 Å²	90	105.4 Å²	105.4	42%	0.421	54%	0.543	S	S	.	.			trans	-127.6	-6	-169.3	-131.1	168.8	-46	0	0	116.1	P413 E419	P413-Q415 HydrophobicContact CB-CB 4.42Å; Q415-E419 PolarHBondContact NE2-OE1 3.38Å; Q415-E419 WeakPolarHBondContact O-CB 3.22Å; Q415-E419 WeakPolarHBondContact O-CG 3.49Å
416	S	30.9	Very low	31.1	Very low	81 Å²	81	99.2 Å²	99.2	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-80.7	-53.7	-175.8	69.2	0	0	0	0	114.4	I418 E419 D420	S416-I418 VanDerWaalsContact C-N 3.26Å; S416-I418 PolarHBondContact O-N 3.05Å; S416-E419 PolarHBondContact O-N 3.36Å; S416-D420 PolarHBondContact O-N 3.19Å
417	D	31.5	Very low	31.2	Very low	127 Å²	127	101.6 Å²	101.6	68%	0.679	53%	0.529	S	S	*	.	H	α-helix	trans	-72.1	-21.3	-169.3	-74.1	-2.1	0	0	0	113.6
418	I	34.8	Very low	31.5	Very low	74 Å²	74	98.8 Å²	98.8	38%	0.379	51%	0.513	S	S	.	.	H	α-helix	trans	-86.8	-30.9	-179.9	-54	178.7	0	0	0	110.9	S416 L422	S416-I418 VanDerWaalsContact C-N 3.26Å; S416-I418 PolarHBondContact O-N 3.05Å; I418-L422 HydrophobicContact CG2-CD1 3.75Å; I418-L422 WeakPolarHBondContact O-CB 3.38Å; I418-L422 PolarHBondContact O-N 2.8Å
419	E	30.7	Very low	31.7	Very low	71 Å²	71	92.8 Å²	92.8	33%	0.332	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-47.3	173.2	-90.4	176.7	177	0	0	110.3	Q415 S416 Q421 L422 I423	Q415-E419 PolarHBondContact NE2-OE1 3.38Å; Q415-E419 WeakPolarHBondContact O-CB 3.22Å; Q415-E419 WeakPolarHBondContact O-CG 3.49Å; S416-E419 PolarHBondContact O-N 3.36Å; E419-Q421 VanDerWaalsContact C-N 3.34Å; E419-Q421 PolarHBondContact O-N 3.35Å; E419-L422 PolarHBondContact O-N 3.17Å; E419-I423 HydrophobicContact CB-CD1 4.05Å; E419-I423 VanDerWaalsContact O-CB 3.25Å; E419-I423 WeakPolarHBondContact O-CB 3.35Å; E419-I423 WeakPolarHBondContact O-CD1 2.79Å; E419-I423 WeakPolarHBondContact O-CG1 3.46Å; E419-I423 PolarHBondContact O-N 3.12Å
420	D	32.7	Very low	32.3	Very low	110 Å²	110	95 Å²	95	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-36.3	-176.9	-78.7	-16.4	0	0	0	113.6	S416	S416-D420 PolarHBondContact O-N 3.19Å
421	Q	32.4	Very low	33.2	Very low	158 Å²	158	93.7 Å²	93.7	74%	0.738	50%	0.5	S	S	*	.	H	α-helix	trans	-76	-35.7	176.7	-72.8	-159.5	-13.2	0	0	113.2	E419 T425	E419-Q421 VanDerWaalsContact C-N 3.34Å; E419-Q421 PolarHBondContact O-N 3.35Å; Q421-T425 PolarHBondContact O-OG1 3.41Å
422	L	31.6	Very low	34.8	Very low	31 Å²	31	89.8 Å²	89.8	16%	0.162	48%	0.476	C	S	.	.	H	α-helix	trans	-78	-35.4	179.7	-84.5	161.4	0	0	0	112.7	Y342 I418 E419 K424 T425 C426 V1009	Y342-L422 HydrophobicContact CE2-CB 4.35Å; Y342-L422 HydrophobicContact CE2-CD1 3.95Å; I418-L422 HydrophobicContact CG2-CD1 3.75Å; I418-L422 WeakPolarHBondContact O-CB 3.38Å; I418-L422 PolarHBondContact O-N 2.8Å; E419-L422 PolarHBondContact O-N 3.17Å; L422-K424 PolarHBondContact O-N 3.29Å; L422-T425 PolarHBondContact O-N 2.93Å; L422-T425 VanDerWaalsContact O-N 3.09Å; L422-T425 PolarHBondContact O-OG1 3.28Å; L422-C426 PolarHBondContact O-N 3.1Å; L422-V1009 HydrophobicContact CD2-CG2 3.8Å
423	I	32.4	Very low	36.9	Very low	62 Å²	62	81.8 Å²	81.8	32%	0.318	44%	0.442	S	S	.	.	H	α-helix	trans	-59.2	-37.3	174.4	-71.2	167.1	0	0	0	110.1	E419 T425 C426 Q427	E419-I423 HydrophobicContact CB-CD1 4.05Å; E419-I423 VanDerWaalsContact O-CB 3.25Å; E419-I423 WeakPolarHBondContact O-CB 3.35Å; E419-I423 WeakPolarHBondContact O-CD1 2.79Å; E419-I423 WeakPolarHBondContact O-CG1 3.46Å; E419-I423 PolarHBondContact O-N 3.12Å; I423-T425 VanDerWaalsContact C-N 3.28Å; I423-T425 PolarHBondContact O-N 2.67Å; I423-C426 PolarHBondContact O-N 3.1Å; I423-Q427 VanDerWaalsContact CG2-CD 3.42Å; I423-Q427 HydrophobicContact CG2-CG 3.88Å; I423-Q427 VanDerWaalsContact O-CB 3.3Å; I423-Q427 WeakPolarHBondContact O-CB 3.27Å; I423-Q427 VanDerWaalsContact O-CG 3.32Å; I423-Q427 WeakPolarHBondContact O-CG 3.41Å; I423-Q427 PolarHBondContact O-N 3.18Å
424	K	32.9	Very low	39.4	Very low	170 Å²	170	77.4 Å²	77.4	74%	0.739	41%	0.414	S	S	*	.	H	α-helix	trans	-60	-32	174.7	-87.6	-176.6	175.3	180	0	114.4	L422	L422-K424 PolarHBondContact O-N 3.29Å
425	T	36.3	Very low	42.1	Very low	46 Å²	46	73.6 Å²	73.6	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-84.1	-30.7	-178.5	17	0	0	0	0	113.9	Q421 L422 I423 V1009	Q421-T425 PolarHBondContact O-OG1 3.41Å; L422-T425 PolarHBondContact O-N 2.93Å; L422-T425 VanDerWaalsContact O-N 3.09Å; L422-T425 PolarHBondContact O-OG1 3.28Å; I423-T425 VanDerWaalsContact C-N 3.28Å; I423-T425 PolarHBondContact O-N 2.67Å; T425-V1009 HydrophobicContact CG2-CG2 4.46Å
426	C	38.8	Very low	44.8	Very low	44 Å²	44	71.5 Å²	71.5	30%	0.297	39%	0.387	S	S	.	.	H	α-helix	trans	-94.8	-22	-179.9	-70.4	0	0	0	0	113.4	E341 L422 I423 L428	E341-C426 HydrophobicContact CB-CB 3.75Å; E341-C426 HydrophobicContact CG-CB 3.94Å; E341-C426 PolarHBondContact O-SG 2.82Å; L422-C426 PolarHBondContact O-N 3.1Å; I423-C426 PolarHBondContact O-N 3.1Å; C426-L428 PolarHBondContact O-N 2.91Å; C426-L428 VanDerWaalsContact O-N 3.14Å
427	Q	36.6	Very low	47.4	Very low	78 Å²	78	69.5 Å²	69.5	36%	0.364	37%	0.37	S	S	.	.	S	Bend	trans	-70	109.2	164.2	-71.8	-176.7	-3.7	0	0	107.9	I423 A429	I423-Q427 VanDerWaalsContact CG2-CD 3.42Å; I423-Q427 HydrophobicContact CG2-CG 3.88Å; I423-Q427 VanDerWaalsContact O-CB 3.3Å; I423-Q427 WeakPolarHBondContact O-CB 3.27Å; I423-Q427 VanDerWaalsContact O-CG 3.32Å; I423-Q427 WeakPolarHBondContact O-CG 3.41Å; I423-Q427 PolarHBondContact O-N 3.18Å; Q427-A429 VanDerWaalsContact C-N 3.28Å; Q427-A429 PolarHBondContact O-N 3.35Å
428	L	40.9	Very low	50	Low	42 Å²	42	63.9 Å²	63.9	22%	0.22	34%	0.339	C	S	.	.			trans	-48.8	106.1	150.5	-97.6	110.5	0	0	0	106.4	C426 D430 T431 Y961	C426-L428 PolarHBondContact O-N 2.91Å; C426-L428 VanDerWaalsContact O-N 3.14Å; L428-D430 PolarHBondContact O-N 3.45Å; L428-T431 PolarHBondContact O-N 3.32Å; L428-Y961 HydrophobicContact CD1-CD1 4.42Å; L428-Y961 HydrophobicContact CD1-CE1 3.92Å
429	A	36.4	Very low	52.4	Low	59 Å²	59	60.5 Å²	60.5	49%	0.488	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.3	105.8	-168.4	0	0	0	0	0	112.5	Q427 T431 N982	Q427-A429 VanDerWaalsContact C-N 3.28Å; Q427-A429 PolarHBondContact O-N 3.35Å; A429-T431 WeakPolarHBondContact O-CG2 3.44Å; A429-T431 PolarHBondContact O-N 3.34Å; A429-N982 WeakPolarHBondContact CB-ND2 3.38Å; A429-N982 PolarHBondContact N-ND2 3.21Å; A429-N982 VanDerWaalsContact N-ND2 3.12Å
430	D	39.3	Very low	55.1	Low	142 Å²	142	57.2 Å²	57.2	76%	0.759	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	32.9	38.3	169.6	-74.6	-33.2	0	0	0	114.7	L428 V432	L428-D430 PolarHBondContact O-N 3.45Å; D430-V432 VanDerWaalsContact C-N 3.29Å; D430-V432 PolarHBondContact O-N 3.37Å
431	T	49.2	Very low	57.5	Low	47 Å²	47	52.8 Å²	52.8	29%	0.288	28%	0.284	S	S	.	.			trans	-77.5	97.4	178.5	57.1	0	0	0	0	104.3	L428 A429 G433	L428-T431 PolarHBondContact O-N 3.32Å; A429-T431 WeakPolarHBondContact O-CG2 3.44Å; A429-T431 PolarHBondContact O-N 3.34Å; T431-G433 WeakPolarHBondContact CB-O 3.22Å; T431-G433 CarbonylContact O-C 3.5Å; T431-G433 PolarHBondContact O-N 3.29Å; T431-G433 PolarHBondContact OG1-O 2.9Å
432	V	57.9	Low	59.8	Low	63 Å²	63	45.2 Å²	45.2	38%	0.382	25%	0.249	S	C	.	.	S	Bend	trans	-48.8	-28.8	174.6	-178.6	0	0	0	0	110.1	S308 R309 D430	S308-V432 WeakPolarHBondContact CA-O 3.28Å; R309-V432 PolarHBondContact N-O 3.5Å; D430-V432 VanDerWaalsContact C-N 3.29Å; D430-V432 PolarHBondContact O-N 3.37Å
433	G	70.8	Confident	62.5	Low	2 Å²	2	43.8 Å²	43.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	172.3	0	0	0	0	0	115.8	L307 T431	L307-G433 CarbonylContact O-C 3.51Å; L307-G433 WeakPolarHBondContact O-CA 3.49Å; T431-G433 WeakPolarHBondContact CB-O 3.22Å; T431-G433 CarbonylContact O-C 3.5Å; T431-G433 PolarHBondContact O-N 3.29Å; T431-G433 PolarHBondContact OG1-O 2.9Å
434	I	77.2	Confident	64.9	Low	1 Å²	1	43 Å²	43	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.7	160.5	59	171.3	0	0	0	110.5	E306 L307 R309 V312 Q438 F439 I442	E306-I434 CarbonylContact C-O 3.54Å; E306-I434 VanDerWaalsContact CA-O 3.23Å; E306-I434 WeakPolarHBondContact CA-O 3.28Å; L307-I434 HydrophobicContact CB-CD1 4.46Å; L307-I434 HydrophobicContact CB-CG1 3.95Å; L307-I434 PolarHBondContact N-O 3.47Å; L307-I434 WeakPolarHBondContact O-CG1 3.04Å; L307-I434 PolarHBondContact O-N 2.86Å; R309-I434 HydrophobicContact CB-CG2 3.71Å; R309-I434 HydrophobicContact CG-CG2 3.84Å; V312-I434 HydrophobicContact CB-CD1 3.99Å; V312-I434 HydrophobicContact CG1-CD1 3.97Å; V312-I434 HydrophobicContact CG2-CD1 3.88Å; I434-Q438 HydrophobicContact CB-CB 4.15Å; I434-F439 HydrophobicContact CD1-CB 3.93Å; I434-F439 HydrophobicContact CD1-CD2 4.1Å; I434-I442 HydrophobicContact CD1-CD1 4.01Å; I434-I442 HydrophobicContact CG2-CD1 4.23Å
435	T	81.3	Confident	67.2	Low	47 Å²	47	35.7 Å²	35.7	29%	0.288	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	167.3	175.9	69.6	0	0	0	0	112.1	N437 Q438 F439	T435-N437 VanDerWaalsContact C-N 3.27Å; T435-N437 PolarHBondContact O-N 2.97Å; T435-Q438 PolarHBondContact O-N 2.93Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.3Å; T435-Q438 PolarHBondContact OG1-N 3.33Å; T435-F439 WeakPolarHBondContact O-CB 3.46Å; T435-F439 PolarHBondContact O-N 2.93Å
436	Q	86.6	Confident	69.4	Low	47 Å²	47	33.6 Å²	33.6	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-52.8	-43.5	175.4	-172.6	-171.6	-89.9	0	0	112.8	F296 F439 I440	F296-Q436 HydrophobicContact CB-CG 4.28Å; F296-Q436 HydrophobicContact CD1-CB 3.91Å; F296-Q436 HydrophobicContact CD1-CG 3.81Å; F296-Q436 HydrophobicContact CD2-CB 4.35Å; F296-Q436 HydrophobicContact CD2-CG 4.39Å; F296-Q436 HydrophobicContact CE1-CB 3.82Å; F296-Q436 HydrophobicContact CE1-CG 4.25Å; F296-Q436 VanDerWaalsContact CE2-CA 3.5Å; F296-Q436 HydrophobicContact CE2-CB 4.24Å; F296-Q436 HydrophobicContact CG-CB 4.19Å; F296-Q436 HydrophobicContact CG-CG 3.9Å; F296-Q436 HydrophobicContact CZ-CB 3.99Å; Q436-F439 WeakPolarHBondContact O-CB 3.35Å; Q436-F439 PolarHBondContact O-N 3.43Å; Q436-I440 HydrophobicContact CG-CD1 4.2Å; Q436-I440 VanDerWaalsContact O-CG1 3.27Å; Q436-I440 WeakPolarHBondContact O-CG1 3.24Å; Q436-I440 PolarHBondContact O-N 2.96Å
437	N	85.8	Confident	71.6	Confident	39 Å²	39	31.6 Å²	31.6	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-74.9	-35.5	-177.3	-70.1	-20.9	0	0	0	111.9	T435 I440 S441 E958	T435-N437 VanDerWaalsContact C-N 3.27Å; T435-N437 PolarHBondContact O-N 2.97Å; N437-I440 PolarHBondContact O-N 3.43Å; N437-S441 PolarHBondContact O-N 3.4Å; N437-S441 PolarHBondContact O-OG 3.36Å; N437-E958 HydrophobicContact CB-CB 3.99Å; N437-E958 WeakPolarHBondContact ND2-CB 3.34Å; N437-E958 PolarHBondContact ND2-OE2 3.49Å
438	Q	84.8	Confident	73.7	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-44	170.2	-73.8	173.5	-18.7	0	0	111.7	I434 T435 I440 S441 I442 S959 Y961	I434-Q438 HydrophobicContact CB-CB 4.15Å; T435-Q438 PolarHBondContact O-N 2.93Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.3Å; T435-Q438 PolarHBondContact OG1-N 3.33Å; Q438-I440 PolarHBondContact O-N 2.96Å; Q438-S441 PolarHBondContact O-N 3.4Å; Q438-I442 WeakPolarHBondContact O-CD1 3.1Å; Q438-I442 VanDerWaalsContact O-CG1 3.24Å; Q438-I442 WeakPolarHBondContact O-CG1 3.37Å; Q438-I442 PolarHBondContact O-N 2.9Å; Q438-S959 WeakPolarHBondContact CG-O 3.42Å; Q438-S959 PolarHBondContact NE2-O 3.12Å; Q438-Y961 HydrophobicContact CB-CE2 3.69Å; Q438-Y961 HydrophobicContact CG-CD2 4.42Å; Q438-Y961 HydrophobicContact CG-CE2 3.61Å
439	F	86.4	Confident	75.4	Confident	3 Å²	3	30 Å²	30	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-46.1	174	171.4	-98	0	0	0	111.7	L292 F296 L307 V312 I434 T435 Q436 S441 I442 M443 L463	L292-F439 HydrophobicContact CB-CE1 4.49Å; L292-F439 HydrophobicContact CD2-CE1 4.01Å; F296-F439 HydrophobicContact CB-CD1 3.96Å; F296-F439 HydrophobicContact CB-CE1 4.11Å; F296-F439 HydrophobicContact CD2-CB 3.68Å; F296-F439 AromaticContact CD2-CD1 3.74Å; F296-F439 HydrophobicContact CD2-CD1 3.74Å; F296-F439 HydrophobicContact CD2-CD2 4.41Å; F296-F439 HydrophobicContact CD2-CE1 4.49Å; F296-F439 AromaticContact CD2-CG 3.68Å; F296-F439 HydrophobicContact CD2-CG 3.68Å; F296-F439 HydrophobicContact CE2-CB 3.95Å; F296-F439 HydrophobicContact CE2-CG 4.38Å; F296-F439 HydrophobicContact CG-CD1 4.32Å; L307-F439 HydrophobicContact CD1-CD2 4.12Å; L307-F439 HydrophobicContact CD1-CE2 4.4Å; V312-F439 HydrophobicContact CG1-CD2 4.06Å; V312-F439 HydrophobicContact CG1-CE2 4.18Å; I434-F439 HydrophobicContact CD1-CB 3.93Å; I434-F439 HydrophobicContact CD1-CD2 4.1Å; T435-F439 WeakPolarHBondContact O-CB 3.46Å; T435-F439 PolarHBondContact O-N 2.93Å; Q436-F439 WeakPolarHBondContact O-CB 3.35Å; Q436-F439 PolarHBondContact O-N 3.43Å; F439-S441 PolarHBondContact O-N 3.13Å; F439-I442 PolarHBondContact O-N 3.39Å; F439-M443 HydrophobicContact CD1-CG 4.32Å; F439-M443 HydrophobicContact CD2-CG 4.14Å; F439-M443 HydrophobicContact CE1-CG 3.92Å; F439-M443 HydrophobicContact CE2-CG 3.72Å; F439-M443 HydrophobicContact CE2-SD 4.14Å; F439-M443 HydrophobicContact CG-CG 4.43Å; F439-M443 HydrophobicContact CZ-CG 3.61Å; F439-M443 HydrophobicContact CZ-SD 4.3Å; F439-M443 WeakPolarHBondContact O-CB 3.38Å; F439-M443 VanDerWaalsContact O-CG 3.29Å; F439-M443 WeakPolarHBondContact O-CG 3.4Å; F439-M443 PolarHBondContact O-N 3.48Å; F439-L463 HydrophobicContact CZ-CD1 4.31Å
440	I	86	Confident	77.5	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-48.7	176.6	-70.2	163.8	0	0	0	110.6	R289 L292 K293 Q436 N437 Q438 I442 M443 E444	R289-I440 HydrophobicContact CG-CG2 4.01Å; L292-I440 HydrophobicContact CB-CG1 3.96Å; L292-I440 HydrophobicContact CD1-CG2 4.14Å; K293-I440 HydrophobicContact CG-CD1 3.74Å; Q436-I440 HydrophobicContact CG-CD1 4.2Å; Q436-I440 VanDerWaalsContact O-CG1 3.27Å; Q436-I440 WeakPolarHBondContact O-CG1 3.24Å; Q436-I440 PolarHBondContact O-N 2.96Å; N437-I440 PolarHBondContact O-N 3.43Å; Q438-I440 PolarHBondContact O-N 2.96Å; I440-I442 VanDerWaalsContact C-N 3.34Å; I440-I442 PolarHBondContact O-N 2.9Å; I440-M443 PolarHBondContact O-N 3.42Å; I440-E444 HydrophobicContact CG2-CG 4.27Å; I440-E444 WeakPolarHBondContact O-CB 3.49Å; I440-E444 WeakPolarHBondContact O-CG 3.34Å; I440-E444 PolarHBondContact O-N 2.92Å
441	S	83.4	Confident	79.7	Confident	17 Å²	17	26.9 Å²	26.9	12%	0.119	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-38.5	-179.8	-66.4	0	0	0	0	113.1	N437 Q438 F439 F445 S959	N437-S441 PolarHBondContact O-N 3.4Å; N437-S441 PolarHBondContact O-OG 3.36Å; Q438-S441 PolarHBondContact O-N 3.4Å; F439-S441 PolarHBondContact O-N 3.13Å; S441-F445 PolarHBondContact O-N 3.36Å; S441-S959 VanDerWaalsContact OG-CB 3.23Å; S441-S959 WeakPolarHBondContact OG-CB 3.45Å; S441-S959 PolarHBondContact OG-OG 2.84Å
442	I	82.3	Confident	81.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-48.6	173.7	-68.4	162.2	0	0	0	110	F313 W337 I434 Q438 F439 I440 E444 F445 I446 Y961	F313-I442 HydrophobicContact CE1-CG2 4.17Å; F313-I442 HydrophobicContact CE2-CD1 3.99Å; F313-I442 HydrophobicContact CZ-CD1 3.98Å; F313-I442 HydrophobicContact CZ-CG1 4.14Å; F313-I442 HydrophobicContact CZ-CG2 3.98Å; W337-I442 HydrophobicContact CD2-CG1 4.34Å; W337-I442 HydrophobicContact CH2-CB 4.41Å; W337-I442 HydrophobicContact CH2-CG1 3.79Å; W337-I442 HydrophobicContact CZ2-CG1 3.58Å; W337-I442 HydrophobicContact CZ3-CB 4.5Å; W337-I442 HydrophobicContact CZ3-CG1 4.28Å; I434-I442 HydrophobicContact CD1-CD1 4.01Å; I434-I442 HydrophobicContact CG2-CD1 4.23Å; Q438-I442 WeakPolarHBondContact O-CD1 3.1Å; Q438-I442 VanDerWaalsContact O-CG1 3.24Å; Q438-I442 WeakPolarHBondContact O-CG1 3.37Å; Q438-I442 PolarHBondContact O-N 2.9Å; F439-I442 PolarHBondContact O-N 3.39Å; I440-I442 VanDerWaalsContact C-N 3.34Å; I440-I442 PolarHBondContact O-N 2.9Å; I442-E444 PolarHBondContact O-N 3Å; I442-F445 WeakPolarHBondContact O-CB 3.24Å; I442-F445 PolarHBondContact O-N 2.94Å; I442-I446 HydrophobicContact CG2-CD1 3.74Å; I442-I446 HydrophobicContact CG2-CG1 4.49Å; I442-I446 WeakPolarHBondContact O-CG1 3.45Å; I442-I446 PolarHBondContact O-N 3.21Å; I442-Y961 HydrophobicContact CD1-CE2 4.46Å; I442-Y961 HydrophobicContact CG1-CE2 4.33Å
443	M	86.5	Confident	82.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-35.1	-178.2	-70.7	-52.3	-53.7	0	0	113.4	L292 F439 I440 F445 I446 I447 L463	L292-M443 HydrophobicContact CD1-CB 4.22Å; L292-M443 HydrophobicContact CD2-CB 3.51Å; L292-M443 HydrophobicContact CD2-CG 3.79Å; F439-M443 HydrophobicContact CD1-CG 4.32Å; F439-M443 HydrophobicContact CD2-CG 4.14Å; F439-M443 HydrophobicContact CE1-CG 3.92Å; F439-M443 HydrophobicContact CE2-CG 3.72Å; F439-M443 HydrophobicContact CE2-SD 4.14Å; F439-M443 HydrophobicContact CG-CG 4.43Å; F439-M443 HydrophobicContact CZ-CG 3.61Å; F439-M443 HydrophobicContact CZ-SD 4.3Å; F439-M443 WeakPolarHBondContact O-CB 3.38Å; F439-M443 VanDerWaalsContact O-CG 3.29Å; F439-M443 WeakPolarHBondContact O-CG 3.4Å; F439-M443 PolarHBondContact O-N 3.48Å; I440-M443 PolarHBondContact O-N 3.42Å; M443-F445 VanDerWaalsContact C-N 3.26Å; M443-F445 PolarHBondContact O-N 3.28Å; M443-I446 PolarHBondContact O-N 2.91Å; M443-I447 HydrophobicContact CE-CD1 3.67Å; M443-I447 HydrophobicContact CE-CG1 4.2Å; M443-I447 PolarHBondContact O-N 3.12Å; M443-L463 HydrophobicContact CE-CD1 3.36Å; M443-L463 HydrophobicContact SD-CD1 3.54Å; M443-L463 VanDerWaalsContact SD-CD1 3.54Å
444	E	84.6	Confident	83.1	Confident	46 Å²	46	36.9 Å²	36.9	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-69.4	-23.5	174.8	-75.4	-172.3	156.6	0	0	113.2	R289 L292 I440 I442	R289-E444 WeakPolarHBondContact CG-OE1 3.22Å; R289-E444 IonicContact CZ-OE1 3.81Å; R289-E444 IonicContact CZ-OE2 3.4Å; R289-E444 IonicContact NE-OE1 2.76Å; R289-E444 PolarHBondContact NE-OE1 3.26Å; R289-E444 IonicContact NE-OE2 3.4Å; R289-E444 VanDerWaalsContact NH2-CD 3.35Å; R289-E444 IonicContact NH2-OE1 3Å; R289-E444 PolarHBondContact NH2-OE1 2.9Å; R289-E444 IonicContact NH2-OE2 2.9Å; R289-E444 PolarHBondContact NH2-OE2 3.44Å; L292-E444 HydrophobicContact CD1-CG 4.21Å; I440-E444 HydrophobicContact CG2-CG 4.27Å; I440-E444 WeakPolarHBondContact O-CB 3.49Å; I440-E444 WeakPolarHBondContact O-CG 3.34Å; I440-E444 PolarHBondContact O-N 2.92Å; I442-E444 PolarHBondContact O-N 3Å
445	F	81.4	Confident	83.4	Confident	17 Å²	17	37.7 Å²	37.7	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-75.1	-55.9	167.9	168.9	-103.6	0	0	0	111.5	H332 D336 W337 R340 S441 I442 M443 I447	H332-F445 HydrophobicContact CB-CE1 4.24Å; H332-F445 HydrophobicContact CB-CE2 4.45Å; H332-F445 HydrophobicContact CB-CZ 4.2Å; H332-F445 PolarHBondContact CD2-O 3.43Å; D336-F445 HydrophobicContact CB-CZ 4.35Å; W337-F445 HydrophobicContact CB-CD1 4.43Å; W337-F445 HydrophobicContact CB-CE1 4.09Å; W337-F445 HydrophobicContact CD2-CD1 4.44Å; W337-F445 HydrophobicContact CE3-CB 3.75Å; W337-F445 AromaticContact CE3-CD1 3.41Å; W337-F445 HydrophobicContact CE3-CD1 3.41Å; W337-F445 VanDerWaalsContact CE3-CD1 3.41Å; W337-F445 HydrophobicContact CE3-CE1 4.06Å; W337-F445 AromaticContact CE3-CG 3.64Å; W337-F445 HydrophobicContact CE3-CG 3.64Å; W337-F445 HydrophobicContact CZ3-CB 3.46Å; W337-F445 VanDerWaalsContact CZ3-CB 3.46Å; W337-F445 HydrophobicContact CZ3-CD1 4.09Å; W337-F445 AromaticContact CZ3-CG 3.85Å; W337-F445 HydrophobicContact CZ3-CG 3.85Å; R340-F445 HydrophobicContact CG-CD2 4.26Å; R340-F445 HydrophobicContact CG-CE2 3.91Å; R340-F445 HydrophobicContact CG-CZ 4.42Å; S441-F445 PolarHBondContact O-N 3.36Å; I442-F445 WeakPolarHBondContact O-CB 3.24Å; I442-F445 PolarHBondContact O-N 2.94Å; M443-F445 VanDerWaalsContact C-N 3.26Å; M443-F445 PolarHBondContact O-N 3.28Å; F445-I447 PolarHBondContact O-N 3.44Å
446	I	82.2	Confident	83.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-38.8	-175.1	-63.7	170.4	0	0	0	110.3	C316 I331 H332 P334 I442 M443 P448	C316-I446 HydrophobicContact CB-CD1 3.74Å; C316-I446 VanDerWaalsContact SG-CD1 3.52Å; I331-I446 WeakPolarHBondContact CB-O 3.16Å; H332-I446 PolarHBondContact N-O 3.36Å; P334-I446 HydrophobicContact CB-CD1 4.01Å; P334-I446 HydrophobicContact CB-CG1 4.35Å; P334-I446 HydrophobicContact CG-CD1 4.14Å; P334-I446 HydrophobicContact CG-CG1 4.33Å; P334-I446 HydrophobicContact CG-CG2 4.13Å; I442-I446 HydrophobicContact CG2-CD1 3.74Å; I442-I446 HydrophobicContact CG2-CG1 4.49Å; I442-I446 WeakPolarHBondContact O-CG1 3.45Å; I442-I446 PolarHBondContact O-N 3.21Å; M443-I446 PolarHBondContact O-N 2.91Å; I446-P448 VanDerWaalsContact O-CD 3.31Å; I446-P448 WeakPolarHBondContact O-CD 3.21Å
447	I	85.3	Confident	83.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-118	88.5	178.4	-44.7	176	0	0	0	109.6	R288 M443 F445 A451 F456 C459	R288-I447 PolarHBondContact NH2-O 3.28Å; R288-I447 VanDerWaalsContact NH2-O 3.09Å; M443-I447 HydrophobicContact CE-CD1 3.67Å; M443-I447 HydrophobicContact CE-CG1 4.2Å; M443-I447 PolarHBondContact O-N 3.12Å; F445-I447 PolarHBondContact O-N 3.44Å; I447-A451 HydrophobicContact CG2-CB 3.66Å; I447-F456 HydrophobicContact CB-CD2 4.46Å; I447-F456 HydrophobicContact CD1-CD2 4.07Å; I447-F456 HydrophobicContact CG2-CB 4.34Å; I447-F456 HydrophobicContact CG2-CD2 4.12Å; I447-C459 HydrophobicContact CD1-CB 3.47Å; I447-C459 VanDerWaalsContact CD1-CB 3.47Å; I447-C459 VanDerWaalsContact CD1-SG 3.57Å
448	P	78.9	Confident	83.6	Confident	20 Å²	20	38 Å²	38	13%	0.13	20%	0.202	C	C	.	.			trans	-54.8	158.4	177.7	-27.4	35.9	0	0	0	113.1	H332 I446 T450 A451	H332-P448 WeakPolarHBondContact CD2-CG 3.36Å; H332-P448 VanDerWaalsContact NE2-CG 3.33Å; H332-P448 WeakPolarHBondContact NE2-CG 3.38Å; I446-P448 VanDerWaalsContact O-CD 3.31Å; I446-P448 WeakPolarHBondContact O-CD 3.21Å; P448-T450 PolarHBondContact O-N 3.13Å; P448-T450 VanDerWaalsContact O-N 3.14Å; P448-A451 VanDerWaalsContact O-CB 3.26Å; P448-A451 WeakPolarHBondContact O-CB 3.36Å; P448-A451 PolarHBondContact O-N 3.38Å
449	E	78.3	Confident	83.6	Confident	66 Å²	66	37.7 Å²	37.7	31%	0.308	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.6	176.7	-166.8	-176.2	161.1	0	0	113.2	K281 A451	K281-E449 VanDerWaalsContact CB-OE1 3.31Å; K281-E449 WeakPolarHBondContact CB-OE1 3.29Å; E449-A451 PolarHBondContact O-N 3.36Å
450	T	79.3	Confident	83.4	Confident	130 Å²	130	37.9 Å²	37.9	80%	0.798	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.3	175.5	50	0	0	0	0	113.2	P448	P448-T450 PolarHBondContact O-N 3.13Å; P448-T450 VanDerWaalsContact O-N 3.14Å
451	A	84.7	Confident	83.4	Confident	6 Å²	6	41.8 Å²	41.8	5%	0.05	23%	0.225	C	C	.	.	S	Bend	trans	-73	133.9	-178.9	0	0	0	0	0	111.8	I447 P448 E449	I447-A451 HydrophobicContact CG2-CB 3.66Å; P448-A451 VanDerWaalsContact O-CB 3.26Å; P448-A451 WeakPolarHBondContact O-CB 3.36Å; P448-A451 PolarHBondContact O-N 3.38Å; E449-A451 PolarHBondContact O-N 3.36Å
452	P	84.4	Confident	83.4	Confident	63 Å²	63	42.9 Å²	42.9	41%	0.409	23%	0.227	S	C	.	.			trans	-53.6	142.9	177.2	-26.5	32.2	0	0	0	113.9	M330 K454 I455 F456	M330-P452 HydrophobicContact SD-CG 4.26Å; P452-K454 PolarHBondContact O-N 3.27Å; P452-K454 VanDerWaalsContact O-N 3.08Å; P452-I455 HydrophobicContact CB-CG1 4.45Å; P452-I455 HydrophobicContact CG-CD1 4.23Å; P452-I455 PolarHBondContact O-N 2.93Å; P452-F456 PolarHBondContact O-N 3.45Å
453	L	80.9	Confident	83.3	Confident	99 Å²	99	43 Å²	43	52%	0.518	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-28.2	-179.1	-170	66.3	0	0	0	113.2	F456 N457	L453-F456 HydrophobicContact CD1-CD1 3.93Å; L453-N457 WeakPolarHBondContact O-CB 3.43Å; L453-N457 PolarHBondContact O-N 3.4Å; L453-N457 PolarHBondContact O-ND2 3.16Å
454	K	85.4	Confident	83	Confident	160 Å²	160	49 Å²	49	70%	0.696	25%	0.254	S	S	*	.	H	α-helix	trans	-62.8	-50.5	174.7	-172.8	179.8	177.7	-174.4	0	111.9	P452 F456 N457 D458	P452-K454 PolarHBondContact O-N 3.27Å; P452-K454 VanDerWaalsContact O-N 3.08Å; K454-F456 VanDerWaalsContact C-N 3.29Å; K454-F456 PolarHBondContact O-N 3.02Å; K454-N457 PolarHBondContact O-N 2.98Å; K454-D458 PolarHBondContact O-N 3.41Å
455	I	83.7	Confident	82.5	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-42.9	178.6	-60.1	-177.6	0	0	0	110.1	I327 M330 I331 P452 N457 D458 C459	I327-I455 HydrophobicContact CG1-CD1 4.38Å; I327-I455 HydrophobicContact CG2-CD1 4.47Å; I327-I455 HydrophobicContact CG2-CG2 3.93Å; M330-I455 HydrophobicContact CB-CD1 4.47Å; M330-I455 HydrophobicContact SD-CD1 3.68Å; I331-I455 HydrophobicContact CG2-CG2 4.13Å; P452-I455 HydrophobicContact CB-CG1 4.45Å; P452-I455 HydrophobicContact CG-CD1 4.23Å; P452-I455 PolarHBondContact O-N 2.93Å; I455-N457 PolarHBondContact O-N 3.13Å; I455-D458 PolarHBondContact O-N 2.95Å; I455-C459 PolarHBondContact O-N 3.46Å
456	F	85.1	Confident	82.2	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-49.9	175.1	176.4	-103.8	0	0	0	112.1	R288 L291 L292 I447 P452 L453 K454 D458 C459 L460	R288-F456 HydrophobicContact CB-CE1 4.28Å; R288-F456 HydrophobicContact CB-CE2 4.49Å; R288-F456 HydrophobicContact CB-CZ 3.88Å; R288-F456 HydrophobicContact CG-CE1 4.22Å; R288-F456 HydrophobicContact CG-CZ 4.19Å; L291-F456 HydrophobicContact CB-CE1 3.93Å; L291-F456 HydrophobicContact CB-CZ 4.35Å; L291-F456 HydrophobicContact CD1-CD1 4.48Å; L291-F456 HydrophobicContact CD1-CE1 3.83Å; L292-F456 HydrophobicContact CD1-CE2 4.27Å; L292-F456 HydrophobicContact CD1-CZ 4.32Å; L292-F456 HydrophobicContact CD2-CE2 4.11Å; L292-F456 HydrophobicContact CD2-CZ 4.24Å; L292-F456 HydrophobicContact CG-CE2 4.07Å; L292-F456 HydrophobicContact CG-CZ 3.86Å; I447-F456 HydrophobicContact CB-CD2 4.46Å; I447-F456 HydrophobicContact CD1-CD2 4.07Å; I447-F456 HydrophobicContact CG2-CB 4.34Å; I447-F456 HydrophobicContact CG2-CD2 4.12Å; P452-F456 PolarHBondContact O-N 3.45Å; L453-F456 HydrophobicContact CD1-CD1 3.93Å; K454-F456 VanDerWaalsContact C-N 3.29Å; K454-F456 PolarHBondContact O-N 3.02Å; F456-D458 PolarHBondContact O-N 3.26Å; F456-C459 PolarHBondContact O-N 3.44Å; F456-L460 HydrophobicContact CD1-CD1 4.01Å; F456-L460 HydrophobicContact CD1-CG 4.5Å; F456-L460 HydrophobicContact CE1-CD1 3.48Å; F456-L460 VanDerWaalsContact CE1-CD1 3.48Å; F456-L460 HydrophobicContact CE1-CG 4.28Å; F456-L460 HydrophobicContact CE2-CD1 4.4Å; F456-L460 HydrophobicContact CE2-CD2 4.5Å; F456-L460 HydrophobicContact CZ-CD1 3.74Å; F456-L460 HydrophobicContact CZ-CD2 4.49Å; F456-L460 HydrophobicContact CZ-CG 4.32Å; F456-L460 WeakPolarHBondContact O-CG 3.49Å; F456-L460 PolarHBondContact O-N 2.9Å
457	N	86.5	Confident	81.6	Confident	61 Å²	61	63.4 Å²	63.4	33%	0.326	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-35.9	178	-75.2	-27.4	0	0	0	113.1	L453 K454 I455 L460 T461	L453-N457 WeakPolarHBondContact O-CB 3.43Å; L453-N457 PolarHBondContact O-N 3.4Å; L453-N457 PolarHBondContact O-ND2 3.16Å; K454-N457 PolarHBondContact O-N 2.98Å; I455-N457 PolarHBondContact O-N 3.13Å; N457-L460 PolarHBondContact O-N 3.39Å; N457-T461 WeakPolarHBondContact O-CB 3.29Å; N457-T461 PolarHBondContact O-N 2.99Å; N457-T461 PolarHBondContact O-OG1 3.37Å
458	D	85.6	Confident	80.7	Confident	78 Å²	78	65 Å²	65	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176	-68.2	-20.6	0	0	0	110.4	K454 I455 F456 T461 Y462	K454-D458 PolarHBondContact O-N 3.41Å; I455-D458 PolarHBondContact O-N 2.95Å; F456-D458 PolarHBondContact O-N 3.26Å; D458-T461 WeakPolarHBondContact O-CB 3.3Å; D458-T461 PolarHBondContact O-N 3.07Å; D458-Y462 PolarHBondContact O-N 2.98Å
459	C	84.2	Confident	80.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-45.4	174.4	-169.7	0	0	0	0	112.3	Y319 I447 I455 F456 T461 Y462 L463	Y319-C459 HydrophobicContact CD1-CB 4.35Å; Y319-C459 HydrophobicContact CE1-CB 3.72Å; Y319-C459 HydrophobicContact CE2-CB 4.23Å; I447-C459 HydrophobicContact CD1-CB 3.47Å; I447-C459 VanDerWaalsContact CD1-CB 3.47Å; I447-C459 VanDerWaalsContact CD1-SG 3.57Å; I455-C459 PolarHBondContact O-N 3.46Å; F456-C459 PolarHBondContact O-N 3.44Å; C459-T461 PolarHBondContact O-N 3.06Å; C459-Y462 CarbonylContact O-C 3.53Å; C459-Y462 WeakPolarHBondContact O-CA 3.42Å; C459-Y462 WeakPolarHBondContact O-CB 3.23Å; C459-Y462 PolarHBondContact O-N 2.69Å; C459-L463 WeakPolarHBondContact O-CG 3.42Å; C459-L463 PolarHBondContact O-N 3.38Å
460	L	83.8	Confident	79.8	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-36.5	174.1	-65.3	-174.5	0	0	0	112	L291 L292 C295 F456 N457 Y462 L463 K464	L291-L460 HydrophobicContact CB-CD1 3.98Å; L292-L460 HydrophobicContact CD2-CD2 3.62Å; C295-L460 HydrophobicContact CB-CD2 4.05Å; F456-L460 HydrophobicContact CD1-CD1 4.01Å; F456-L460 HydrophobicContact CD1-CG 4.5Å; F456-L460 HydrophobicContact CE1-CD1 3.48Å; F456-L460 VanDerWaalsContact CE1-CD1 3.48Å; F456-L460 HydrophobicContact CE1-CG 4.28Å; F456-L460 HydrophobicContact CE2-CD1 4.4Å; F456-L460 HydrophobicContact CE2-CD2 4.5Å; F456-L460 HydrophobicContact CZ-CD1 3.74Å; F456-L460 HydrophobicContact CZ-CD2 4.49Å; F456-L460 HydrophobicContact CZ-CG 4.32Å; F456-L460 WeakPolarHBondContact O-CG 3.49Å; F456-L460 PolarHBondContact O-N 2.9Å; N457-L460 PolarHBondContact O-N 3.39Å; L460-Y462 VanDerWaalsContact C-N 3.33Å; L460-L463 HydrophobicContact CD2-CD1 4.48Å; L460-L463 PolarHBondContact O-N 2.99Å; L460-K464 WeakPolarHBondContact O-CG 3.39Å; L460-K464 PolarHBondContact O-N 3.46Å; L460-K464 VanDerWaalsContact O-N 3.1Å
461	T	84.3	Confident	79.4	Confident	84 Å²	84	69 Å²	69	52%	0.515	35%	0.349	S	S	.	.	H	α-helix	trans	-67.6	-35.5	175.7	-56.9	0	0	0	0	111.6	N457 D458 C459	N457-T461 WeakPolarHBondContact O-CB 3.29Å; N457-T461 PolarHBondContact O-N 2.99Å; N457-T461 PolarHBondContact O-OG1 3.37Å; D458-T461 WeakPolarHBondContact O-CB 3.3Å; D458-T461 PolarHBondContact O-N 3.07Å; C459-T461 PolarHBondContact O-N 3.06Å
462	Y	83.4	Confident	78.7	Confident	39 Å²	39	72.3 Å²	72.3	15%	0.153	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-44.8	172.5	-169.5	-85.7	0	0	0	111.7	L315 D318 Y319 D458 C459 L460 K464 R465	L315-Y462 HydrophobicContact CD2-CE1 4.25Å; L315-Y462 WeakPolarHBondContact O-CE1 3.25Å; D318-Y462 HydrophobicContact CB-CE1 4.49Å; D318-Y462 WeakPolarHBondContact CB-OH 3.4Å; Y319-Y462 AromaticContact CD2-CD1 3.95Å; Y319-Y462 HydrophobicContact CD2-CD1 3.95Å; Y319-Y462 AromaticContact CD2-CD2 3.81Å; Y319-Y462 HydrophobicContact CD2-CD2 3.81Å; Y319-Y462 HydrophobicContact CD2-CE2 4.4Å; Y319-Y462 AromaticContact CD2-CG 3.55Å; Y319-Y462 HydrophobicContact CD2-CG 3.55Å; Y319-Y462 HydrophobicContact CE2-CG 4.37Å; Y319-Y462 HydrophobicContact CG-CD1 4.27Å; Y319-Y462 HydrophobicContact CG-CG 4.32Å; D458-Y462 PolarHBondContact O-N 2.98Å; C459-Y462 CarbonylContact O-C 3.53Å; C459-Y462 WeakPolarHBondContact O-CA 3.42Å; C459-Y462 WeakPolarHBondContact O-CB 3.23Å; C459-Y462 PolarHBondContact O-N 2.69Å; L460-Y462 VanDerWaalsContact C-N 3.33Å; Y462-K464 PolarHBondContact O-N 3.06Å; Y462-R465 VanDerWaalsContact CE2-NH1 3.29Å; Y462-R465 WeakPolarHBondContact O-CB 3.46Å; Y462-R465 VanDerWaalsContact O-CG 3.23Å; Y462-R465 WeakPolarHBondContact O-CG 3.44Å; Y462-R465 PolarHBondContact O-N 3.16Å
463	L	81.1	Confident	78	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-27.5	178.9	-72	172.4	0	0	0	113.3	L315 F439 M443 C459 L460 R465 Y466	L315-L463 HydrophobicContact CB-CD2 3.93Å; L315-L463 HydrophobicContact CD1-CD2 4.45Å; F439-L463 HydrophobicContact CZ-CD1 4.31Å; M443-L463 HydrophobicContact CE-CD1 3.36Å; M443-L463 HydrophobicContact SD-CD1 3.54Å; M443-L463 VanDerWaalsContact SD-CD1 3.54Å; C459-L463 WeakPolarHBondContact O-CG 3.42Å; C459-L463 PolarHBondContact O-N 3.38Å; L460-L463 HydrophobicContact CD2-CD1 4.48Å; L460-L463 PolarHBondContact O-N 2.99Å; L463-R465 PolarHBondContact O-N 3.27Å; L463-Y466 WeakPolarHBondContact O-CB 3.39Å; L463-Y466 PolarHBondContact O-N 3.02Å
464	K	79.3	Confident	77.5	Confident	125 Å²	125	73.6 Å²	73.6	54%	0.543	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.4	170.1	-74.3	173.8	-177.2	179.2	0	114.1	L460 Y462 Y466	L460-K464 WeakPolarHBondContact O-CG 3.39Å; L460-K464 PolarHBondContact O-N 3.46Å; L460-K464 VanDerWaalsContact O-N 3.1Å; Y462-K464 PolarHBondContact O-N 3.06Å; K464-Y466 PolarHBondContact O-N 2.78Å
465	R	75.9	Confident	76.9	Confident	157 Å²	157	71.1 Å²	71.1	59%	0.592	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.2	169	-58.7	174.4	-179.1	178	0.2	112.8	Y462 L463 K467	Y462-R465 VanDerWaalsContact CE2-NH1 3.29Å; Y462-R465 WeakPolarHBondContact O-CB 3.46Å; Y462-R465 VanDerWaalsContact O-CG 3.23Å; Y462-R465 WeakPolarHBondContact O-CG 3.44Å; Y462-R465 PolarHBondContact O-N 3.16Å; L463-R465 PolarHBondContact O-N 3.27Å; R465-K467 WeakPolarHBondContact O-CG 3.19Å; R465-K467 PolarHBondContact O-N 3.07Å; R465-K467 VanDerWaalsContact O-N 3.11Å
466	Y	75	Confident	76.4	Confident	23 Å²	23	70.7 Å²	70.7	9%	0.09	35%	0.347	C	S	.	.			trans	-49.9	115.6	174.2	-177.3	-89.9	0	0	0	110.5	C299 L307 S308 Q311 V312 L315 L463 K464 V468	C299-Y466 HydrophobicContact CB-CD1 3.93Å; C299-Y466 HydrophobicContact CB-CG 4.25Å; L307-Y466 HydrophobicContact CD2-CD1 4.5Å; L307-Y466 HydrophobicContact CD2-CE1 3.88Å; S308-Y466 WeakPolarHBondContact CB-OH 3.4Å; S308-Y466 PolarHBondContact N-OH 3.17Å; Q311-Y466 HydrophobicContact CB-CD2 4.36Å; Q311-Y466 HydrophobicContact CB-CE2 3.64Å; Q311-Y466 PolarHBondContact OE1-OH 3.01Å; V312-Y466 HydrophobicContact CG2-CD2 4.3Å; V312-Y466 HydrophobicContact CG2-CE2 3.9Å; L315-Y466 HydrophobicContact CD1-CD2 3.56Å; L315-Y466 HydrophobicContact CD1-CG 4.12Å; L463-Y466 WeakPolarHBondContact O-CB 3.39Å; L463-Y466 PolarHBondContact O-N 3.02Å; K464-Y466 PolarHBondContact O-N 2.78Å; Y466-V468 HydrophobicContact CD1-CG2 4Å; Y466-V468 HydrophobicContact CE1-CG2 3.13Å; Y466-V468 VanDerWaalsContact CZ-CG2 3.49Å; Y466-V468 WeakPolarHBondContact OH-CG2 3.47Å
467	K	69.5	Low	75.9	Confident	187 Å²	187	76.5 Å²	76.5	81%	0.813	37%	0.368	S	S	*	.			trans	-132.8	126.1	178	-73.7	-179.6	-176.8	-176.3	0	107.5	R465	R465-K467 WeakPolarHBondContact O-CG 3.19Å; R465-K467 PolarHBondContact O-N 3.07Å; R465-K467 VanDerWaalsContact O-N 3.11Å
468	V	65.3	Low	75.3	Confident	35 Å²	35	76.8 Å²	76.8	21%	0.212	37%	0.37	C	S	.	.			trans	-100.9	144.3	176.9	-166.4	0	0	0	0	108.6	Y466 E472	Y466-V468 HydrophobicContact CD1-CG2 4Å; Y466-V468 HydrophobicContact CE1-CG2 3.13Å; Y466-V468 VanDerWaalsContact CZ-CG2 3.49Å; Y466-V468 WeakPolarHBondContact OH-CG2 3.47Å; V468-E472 HydrophobicContact CG1-CB 3.67Å; V468-E472 VanDerWaalsContact CG1-OE2 3.24Å; V468-E472 WeakPolarHBondContact CG1-OE2 3.36Å
469	S	68.4	Low	74.7	Confident	60 Å²	60	75.3 Å²	75.3	42%	0.42	36%	0.36	S	S	.	.			trans	-59.3	152	167.5	-176.7	0	0	0	0	110.5	E471 E472 R473	S469-E471 PolarHBondContact O-N 2.88Å; S469-E472 PolarHBondContact N-OE2 3.31Å; S469-R473 WeakPolarHBondContact O-CB 3.44Å; S469-R473 PolarHBondContact O-N 3.37Å
470	A	69.6	Low	74.3	Confident	81 Å²	81	77.8 Å²	77.8	67%	0.669	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-32.5	174.8	0	0	0	0	0	111.9	E474	A470-E474 PolarHBondContact O-N 3.07Å; A470-E474 VanDerWaalsContact O-N 3.1Å
471	E	72.3	Confident	73.9	Confident	159 Å²	159	82.2 Å²	82.2	74%	0.743	39%	0.391	S	S	*	.	H	α-helix	trans	-69.6	-52.1	-178.9	-67	175.6	175	0	0	112.6	S469 R473 E474 E475	S469-E471 PolarHBondContact O-N 2.88Å; E471-R473 PolarHBondContact O-N 3.36Å; E471-E474 WeakPolarHBondContact O-CB 3.23Å; E471-E474 PolarHBondContact O-N 2.91Å; E471-E474 VanDerWaalsContact O-N 3.07Å; E471-E475 PolarHBondContact O-N 3.37Å
472	E	69.3	Low	73.6	Confident	76 Å²	76	84 Å²	84	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-30.8	176.2	-64.9	169.3	146.6	0	0	112.2	Q311 V468 S469 R476	Q311-E472 PolarHBondContact NE2-OE1 2.92Å; Q311-E472 PolarHBondContact NE2-OE2 2.87Å; V468-E472 HydrophobicContact CG1-CB 3.67Å; V468-E472 VanDerWaalsContact CG1-OE2 3.24Å; V468-E472 WeakPolarHBondContact CG1-OE2 3.36Å; S469-E472 PolarHBondContact N-OE2 3.31Å; E472-R476 WeakPolarHBondContact O-CG 3.44Å; E472-R476 PolarHBondContact O-N 3.19Å; E472-R476 VanDerWaalsContact O-N 3.11Å; E472-R476 PolarHBondContact O-NE 3.33Å
473	R	69.1	Low	73.1	Confident	70 Å²	70	86.8 Å²	86.8	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-64.1	-44.5	173.3	-169.7	-175.3	-176.7	96.3	-5.3	110.3	D302 S469 E471 R476 R477	D302-R473 IonicContact OD1-CZ 3.59Å; D302-R473 IonicContact OD1-NE 3.71Å; D302-R473 PolarHBondContact OD1-NE 3.09Å; D302-R473 IonicContact OD1-NH2 2.74Å; D302-R473 PolarHBondContact OD1-NH2 3.24Å; D302-R473 WeakPolarHBondContact OD2-CD 3.38Å; D302-R473 WeakPolarHBondContact OD2-CG 3.43Å; D302-R473 IonicContact OD2-CZ 2.65Å; D302-R473 IonicContact OD2-NE 3.89Å; D302-R473 PolarHBondContact OD2-NE 2.89Å; D302-R473 IonicContact OD2-NH1 2.81Å; D302-R473 PolarHBondContact OD2-NH1 3.41Å; D302-R473 IonicContact OD2-NH2 3.03Å; D302-R473 PolarHBondContact OD2-NH2 3.07Å; D302-R473 VanDerWaalsContact OD2-NH2 3.12Å; S469-R473 WeakPolarHBondContact O-CB 3.44Å; S469-R473 PolarHBondContact O-N 3.37Å; E471-R473 PolarHBondContact O-N 3.36Å; R473-R476 PolarHBondContact O-N 3.36Å; R473-R477 VanDerWaalsContact O-CG 3.27Å; R473-R477 WeakPolarHBondContact O-CG 3.39Å; R473-R477 PolarHBondContact O-N 3.09Å
474	E	71.2	Confident	72.9	Confident	118 Å²	118	89.2 Å²	89.2	55%	0.551	42%	0.418	S	S	*	.	H	α-helix	trans	-66.7	-42.8	178.1	-170.5	59.1	-162	0	0	112.1	A470 E471 R476 R477 L478	A470-E474 PolarHBondContact O-N 3.07Å; A470-E474 VanDerWaalsContact O-N 3.1Å; E471-E474 WeakPolarHBondContact O-CB 3.23Å; E471-E474 PolarHBondContact O-N 2.91Å; E471-E474 VanDerWaalsContact O-N 3.07Å; E474-R476 VanDerWaalsContact C-N 3.35Å; E474-R476 PolarHBondContact O-N 3.3Å; E474-R477 WeakPolarHBondContact O-CB 3.49Å; E474-R477 PolarHBondContact O-N 3.03Å; E474-R477 IonicContact OE2-NE 3.94Å; E474-L478 WeakPolarHBondContact O-CB 3.34Å; E474-L478 PolarHBondContact O-N 3.3Å
475	E	73.2	Confident	72.9	Confident	109 Å²	109	83.5 Å²	83.5	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.4	-173.5	179.3	-178.5	0	0	112.1	E471 L478 Q479	E471-E475 PolarHBondContact O-N 3.37Å; E475-L478 WeakPolarHBondContact O-CB 3.46Å; E475-L478 PolarHBondContact O-N 3.27Å; E475-Q479 WeakPolarHBondContact O-CG 3.48Å; E475-Q479 PolarHBondContact O-N 3.26Å
476	R	72.2	Confident	73	Confident	10 Å²	10	81.9 Å²	81.9	4%	0.038	39%	0.388	C	S	.	.	H	α-helix	trans	-68	-38.6	177.1	-72.6	-173.6	-61.4	130.7	7	112.6	L304 E306 E472 R473 E474 L478 Q479 H480	L304-R476 HydrophobicContact CD1-CB 4.32Å; E306-R476 PolarHBondContact O-NH1 3Å; E472-R476 WeakPolarHBondContact O-CG 3.44Å; E472-R476 PolarHBondContact O-N 3.19Å; E472-R476 VanDerWaalsContact O-N 3.11Å; E472-R476 PolarHBondContact O-NE 3.33Å; R473-R476 PolarHBondContact O-N 3.36Å; E474-R476 VanDerWaalsContact C-N 3.35Å; E474-R476 PolarHBondContact O-N 3.3Å; R476-L478 PolarHBondContact O-N 3.22Å; R476-Q479 PolarHBondContact O-N 2.77Å; R476-H480 PolarHBondContact O-N 2.87Å
477	R	75	Confident	73.1	Confident	122 Å²	122	86.3 Å²	86.3	46%	0.46	41%	0.411	S	S	.	.	H	α-helix	trans	-58.3	-42.1	171.7	-74.8	172.1	65.2	124.7	-1	110.6	D302 L304 R473 E474 F481	D302-R477 IonicContact OD1-NH1 2.86Å; D302-R477 PolarHBondContact OD1-NH1 3.23Å; L304-R477 HydrophobicContact CD1-CG 3.98Å; L304-R477 HydrophobicContact CD2-CG 4.34Å; R473-R477 VanDerWaalsContact O-CG 3.27Å; R473-R477 WeakPolarHBondContact O-CG 3.39Å; R473-R477 PolarHBondContact O-N 3.09Å; E474-R477 WeakPolarHBondContact O-CB 3.49Å; E474-R477 PolarHBondContact O-N 3.03Å; E474-R477 IonicContact OE2-NE 3.94Å; R477-F481 WeakPolarHBondContact O-CB 3.21Å; R477-F481 PolarHBondContact O-N 2.7Å
478	L	74.4	Confident	73.7	Confident	68 Å²	68	81.9 Å²	81.9	36%	0.356	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-45.2	175.9	-175.7	62.4	0	0	0	111.7	E474 E475 R476 F481 R482	E474-L478 WeakPolarHBondContact O-CB 3.34Å; E474-L478 PolarHBondContact O-N 3.3Å; E475-L478 WeakPolarHBondContact O-CB 3.46Å; E475-L478 PolarHBondContact O-N 3.27Å; R476-L478 PolarHBondContact O-N 3.22Å; L478-F481 WeakPolarHBondContact O-CB 3.41Å; L478-F481 PolarHBondContact O-N 2.94Å; L478-R482 VanDerWaalsContact O-CG 3.25Å; L478-R482 WeakPolarHBondContact O-CG 3.4Å; L478-R482 PolarHBondContact O-N 3.49Å
479	Q	72.4	Confident	74.7	Confident	47 Å²	47	82.2 Å²	82.2	22%	0.22	39%	0.392	C	S	.	.	H	α-helix	trans	-62.9	-44.8	177.3	-70.6	-179.1	8.2	0	0	112.9	E475 R476 F481 R482 K483	E475-Q479 WeakPolarHBondContact O-CG 3.48Å; E475-Q479 PolarHBondContact O-N 3.26Å; R476-Q479 PolarHBondContact O-N 2.77Å; Q479-F481 VanDerWaalsContact C-N 3.35Å; Q479-R482 WeakPolarHBondContact O-CB 3.42Å; Q479-R482 PolarHBondContact O-N 2.86Å; Q479-K483 PolarHBondContact O-N 2.82Å
480	H	76	Confident	75.4	Confident	51 Å²	51	83.1 Å²	83.1	24%	0.236	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-43.7	176.2	-175.9	-74.9	0	0	0	110.9	L304 R476 R482 K483 S484	L304-H480 HydrophobicContact CD2-CB 3.91Å; R476-H480 PolarHBondContact O-N 2.87Å; H480-R482 VanDerWaalsContact C-N 3.34Å; H480-R482 PolarHBondContact O-N 2.93Å; H480-K483 PolarHBondContact O-N 3.12Å; H480-S484 PolarHBondContact CE1-OG 3.2Å; H480-S484 VanDerWaalsContact CE1-OG 3.24Å; H480-S484 PolarHBondContact ND1-OG 3.22Å; H480-S484 PolarHBondContact O-N 3.05Å; H480-S484 PolarHBondContact O-OG 3.05Å
481	F	76.1	Confident	76.2	Confident	101 Å²	101	84.2 Å²	84.2	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-55.3	-49.1	173.2	178.2	-104.2	0	0	0	110.9	R477 L478 Q479 K483 S484 S485 Y626	R477-F481 WeakPolarHBondContact O-CB 3.21Å; R477-F481 PolarHBondContact O-N 2.7Å; L478-F481 WeakPolarHBondContact O-CB 3.41Å; L478-F481 PolarHBondContact O-N 2.94Å; Q479-F481 VanDerWaalsContact C-N 3.35Å; F481-K483 PolarHBondContact O-N 3.02Å; F481-S484 PolarHBondContact O-N 3.4Å; F481-S485 WeakPolarHBondContact O-CB 3.36Å; F481-S485 PolarHBondContact O-N 2.97Å; F481-S485 PolarHBondContact O-OG 3Å; F481-Y626 HydrophobicContact CD1-CD1 4.39Å; F481-Y626 HydrophobicContact CD1-CD2 4.35Å; F481-Y626 HydrophobicContact CD1-CG 4.16Å; F481-Y626 VanDerWaalsContact CE1-CB 3.46Å; F481-Y626 AromaticContact CE1-CD1 3.98Å; F481-Y626 HydrophobicContact CE1-CD1 3.98Å; F481-Y626 AromaticContact CE1-CD2 3.64Å; F481-Y626 HydrophobicContact CE1-CD2 3.64Å; F481-Y626 HydrophobicContact CE1-CE2 4.46Å; F481-Y626 AromaticContact CE1-CG 3.38Å; F481-Y626 HydrophobicContact CE1-CG 3.38Å; F481-Y626 HydrophobicContact CZ-CG 4.09Å
482	R	76.4	Confident	76.9	Confident	121 Å²	121	77.3 Å²	77.3	46%	0.457	35%	0.348	S	S	.	.	H	α-helix	trans	-54.6	-48.2	175.1	-71.2	-177.6	174.6	159.6	1.6	113.1	L478 Q479 H480 R486 Y626	L478-R482 VanDerWaalsContact O-CG 3.25Å; L478-R482 WeakPolarHBondContact O-CG 3.4Å; L478-R482 PolarHBondContact O-N 3.49Å; Q479-R482 WeakPolarHBondContact O-CB 3.42Å; Q479-R482 PolarHBondContact O-N 2.86Å; H480-R482 VanDerWaalsContact C-N 3.34Å; H480-R482 PolarHBondContact O-N 2.93Å; R482-R486 WeakPolarHBondContact O-CB 3.41Å; R482-R486 PolarHBondContact O-N 3.43Å; R482-Y626 HydrophobicContact CB-CE1 4.23Å; R482-Y626 WeakPolarHBondContact CD-OH 3.39Å; R482-Y626 HydrophobicContact CG-CE1 3.74Å; R482-Y626 VanDerWaalsContact CG-OH 3.31Å; R482-Y626 WeakPolarHBondContact CG-OH 3.42Å; R482-Y626 PolarHBondContact NE-OH 2.82Å; R482-Y626 VanDerWaalsContact NE-OH 3.12Å
483	K	73.4	Confident	77.9	Confident	98 Å²	98	73.9 Å²	73.9	43%	0.426	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-49.4	178.6	-70.8	179.1	-173.4	173.4	0	111.5	E306 Q479 H480 F481 R486 M487	E306-K483 IonicContact OE1-NZ 3.46Å; E306-K483 PolarHBondContact OE1-NZ 3.14Å; E306-K483 IonicContact OE2-NZ 3.85Å; Q479-K483 PolarHBondContact O-N 2.82Å; H480-K483 PolarHBondContact O-N 3.12Å; F481-K483 PolarHBondContact O-N 3.02Å; K483-R486 PolarHBondContact O-N 3.4Å; K483-M487 PolarHBondContact O-N 3.5Å
484	S	76.7	Confident	78.8	Confident	55 Å²	55	72.3 Å²	72.3	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-44.5	178.8	-63.4	0	0	0	0	111.9	H480 F481 R486 M487 E488	H480-S484 PolarHBondContact CE1-OG 3.2Å; H480-S484 VanDerWaalsContact CE1-OG 3.24Å; H480-S484 PolarHBondContact ND1-OG 3.22Å; H480-S484 PolarHBondContact O-N 3.05Å; H480-S484 PolarHBondContact O-OG 3.05Å; F481-S484 PolarHBondContact O-N 3.4Å; S484-R486 VanDerWaalsContact C-N 3.32Å; S484-R486 PolarHBondContact O-N 3.33Å; S484-M487 WeakPolarHBondContact O-CB 3.46Å; S484-M487 PolarHBondContact O-N 3.07Å; S484-E488 PolarHBondContact O-N 2.91Å
485	S	78.6	Confident	79.7	Confident	5 Å²	5	72.2 Å²	72.2	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-38.5	177.5	-66.5	0	0	0	0	111.9	F481 M487 E488 K489 F628	F481-S485 WeakPolarHBondContact O-CB 3.36Å; F481-S485 PolarHBondContact O-N 2.97Å; F481-S485 PolarHBondContact O-OG 3Å; S485-M487 VanDerWaalsContact C-N 3.35Å; S485-M487 PolarHBondContact O-N 3.32Å; S485-E488 PolarHBondContact O-N 3.21Å; S485-K489 WeakPolarHBondContact O-CB 3.45Å; S485-K489 PolarHBondContact O-N 3.12Å; S485-F628 WeakPolarHBondContact O-CE2 3.33Å; S485-F628 WeakPolarHBondContact O-CZ 3.37Å
486	R	78.9	Confident	80.7	Confident	123 Å²	123	67 Å²	67	46%	0.464	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-41.5	174	-170.6	176.2	-175.5	-165.5	-2	112.4	R482 K483 S484 H490 E1035 Y1036	R482-R486 WeakPolarHBondContact O-CB 3.41Å; R482-R486 PolarHBondContact O-N 3.43Å; K483-R486 PolarHBondContact O-N 3.4Å; S484-R486 VanDerWaalsContact C-N 3.32Å; S484-R486 PolarHBondContact O-N 3.33Å; R486-H490 PolarHBondContact O-N 3.46Å; R486-E1035 IonicContact NH2-OE2 2.72Å; R486-Y1036 PolarHBondContact NH1-OH 2.85Å; R486-Y1036 VanDerWaalsContact NH2-CZ 3.27Å; R486-Y1036 PolarHBondContact NH2-OH 3.47Å
487	M	77.2	Confident	81.6	Confident	116 Å²	116	66.9 Å²	66.9	57%	0.571	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-42.7	176.5	-70.8	-59.2	-61.3	0	0	112	K483 S484 S485 H490 Q491	K483-M487 PolarHBondContact O-N 3.5Å; S484-M487 WeakPolarHBondContact O-CB 3.46Å; S484-M487 PolarHBondContact O-N 3.07Å; S485-M487 VanDerWaalsContact C-N 3.35Å; S485-M487 PolarHBondContact O-N 3.32Å; M487-H490 PolarHBondContact O-N 3.47Å; M487-Q491 WeakPolarHBondContact O-CG 3.4Å; M487-Q491 PolarHBondContact O-N 3.02Å
488	E	82.5	Confident	82.3	Confident	95 Å²	95	64.6 Å²	64.6	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-46.8	176	-177.2	170.7	-153.6	0	0	111.4	S484 S485 H490 Q491 L492 F628	S484-E488 PolarHBondContact O-N 2.91Å; S485-E488 PolarHBondContact O-N 3.21Å; E488-H490 PolarHBondContact O-N 3.32Å; E488-Q491 PolarHBondContact O-N 2.96Å; E488-L492 WeakPolarHBondContact O-CB 3.44Å; E488-L492 PolarHBondContact O-N 3.27Å; E488-F628 HydrophobicContact CB-CD2 4.4Å; E488-F628 HydrophobicContact CB-CE2 4.24Å; E488-F628 HydrophobicContact CG-CD2 4.06Å; E488-F628 HydrophobicContact CG-CE2 4.39Å
489	K	85.1	Confident	83	Confident	41 Å²	41	63 Å²	63	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-49.6	173	-177.4	179.6	172.5	-173.9	0	111.6	S485 Q491 L492 L493 D609 F628 L631	S485-K489 WeakPolarHBondContact O-CB 3.45Å; S485-K489 PolarHBondContact O-N 3.12Å; K489-Q491 PolarHBondContact O-N 3Å; K489-L492 PolarHBondContact O-N 3.22Å; K489-L493 HydrophobicContact CG-CD1 4.01Å; K489-L493 WeakPolarHBondContact O-CB 3.46Å; K489-L493 VanDerWaalsContact O-CG 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.5Å; K489-L493 PolarHBondContact O-N 2.77Å; K489-D609 VanDerWaalsContact CE-CG 3.41Å; K489-D609 WeakPolarHBondContact CE-OD1 3.36Å; K489-D609 WeakPolarHBondContact CE-OD2 3.47Å; K489-D609 IonicContact NZ-OD1 3.11Å; K489-D609 PolarHBondContact NZ-OD1 3.25Å; K489-D609 IonicContact NZ-OD2 2.83Å; K489-D609 PolarHBondContact NZ-OD2 2.73Å; K489-F628 HydrophobicContact CB-CD1 4.23Å; K489-F628 HydrophobicContact CB-CE1 3.77Å; K489-F628 HydrophobicContact CB-CE2 4.37Å; K489-F628 HydrophobicContact CB-CZ 3.83Å; K489-F628 HydrophobicContact CD-CE1 4.01Å; K489-F628 HydrophobicContact CG-CD1 4.42Å; K489-F628 HydrophobicContact CG-CE1 4.08Å; K489-L631 HydrophobicContact CG-CD1 4.32Å
490	H	82.8	Confident	83.8	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-43.2	178.8	-173.8	105.9	0	0	0	112.3	R486 M487 E488 L492 L493 N494 K605	R486-H490 PolarHBondContact O-N 3.46Å; M487-H490 PolarHBondContact O-N 3.47Å; E488-H490 PolarHBondContact O-N 3.32Å; H490-L492 VanDerWaalsContact C-N 3.34Å; H490-L493 PolarHBondContact O-N 2.63Å; H490-N494 PolarHBondContact CD2-ND2 3.49Å; H490-N494 PolarHBondContact NE2-ND2 3.1Å; H490-N494 VanDerWaalsContact NE2-ND2 3.18Å; H490-N494 PolarHBondContact O-N 2.89Å; H490-K605 PolarHBondContact CE1-NZ 2.83Å; H490-K605 PolarHBondContact NE2-NZ 3.38Å; H490-K605 VanDerWaalsContact NE2-NZ 3.15Å
491	Q	86.3	Confident	84.5	Confident	104 Å²	104	59.9 Å²	59.9	49%	0.486	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-40.4	176.2	-73.9	-180	0.5	0	0	111.9	M487 E488 K489 N494 K495	M487-Q491 WeakPolarHBondContact O-CG 3.4Å; M487-Q491 PolarHBondContact O-N 3.02Å; E488-Q491 PolarHBondContact O-N 2.96Å; K489-Q491 PolarHBondContact O-N 3Å; Q491-N494 PolarHBondContact O-N 3.09Å; Q491-K495 VanDerWaalsContact O-CG 3.29Å; Q491-K495 WeakPolarHBondContact O-CG 3.49Å; Q491-K495 PolarHBondContact O-N 3.08Å
492	L	88.6	Confident	85	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-42.9	178.8	-171.5	55.7	0	0	0	111.5	E488 K489 H490 N494 K495 I496 F628 L631 E632 L635	E488-L492 WeakPolarHBondContact O-CB 3.44Å; E488-L492 PolarHBondContact O-N 3.27Å; K489-L492 PolarHBondContact O-N 3.22Å; H490-L492 VanDerWaalsContact C-N 3.34Å; L492-N494 PolarHBondContact O-N 3.29Å; L492-K495 WeakPolarHBondContact O-CB 3.46Å; L492-K495 PolarHBondContact O-N 3.4Å; L492-K495 VanDerWaalsContact O-N 3.15Å; L492-I496 HydrophobicContact CG-CD1 4.29Å; L492-I496 VanDerWaalsContact O-CG1 3.28Å; L492-I496 WeakPolarHBondContact O-CG1 3.49Å; L492-I496 PolarHBondContact O-N 3.44Å; L492-F628 HydrophobicContact CD2-CB 4.16Å; L492-L631 HydrophobicContact CD2-CB 3.3Å; L492-L631 HydrophobicContact CD2-CD1 4.09Å; L492-L631 HydrophobicContact CD2-CG 4.35Å; L492-L631 HydrophobicContact CG-CB 3.9Å; L492-L631 HydrophobicContact CG-CD1 4.48Å; L492-E632 HydrophobicContact CD1-CG 4.4Å; L492-E632 HydrophobicContact CD2-CG 3.82Å; L492-L635 HydrophobicContact CD1-CD2 3.75Å
493	L	89.4	Confident	85.5	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-43.3	173.2	-71.4	169.4	0	0	0	112	K489 H490 K495 I496 F497 K605 L608 L631	K489-L493 HydrophobicContact CG-CD1 4.01Å; K489-L493 WeakPolarHBondContact O-CB 3.46Å; K489-L493 VanDerWaalsContact O-CG 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.5Å; K489-L493 PolarHBondContact O-N 2.77Å; H490-L493 PolarHBondContact O-N 2.63Å; L493-K495 PolarHBondContact O-N 2.79Å; L493-I496 PolarHBondContact O-N 2.69Å; L493-F497 WeakPolarHBondContact O-CB 3.4Å; L493-F497 PolarHBondContact O-N 2.83Å; L493-K605 HydrophobicContact CB-CG 4.09Å; L493-K605 HydrophobicContact CD1-CB 4.39Å; L493-K605 HydrophobicContact CD1-CG 4.1Å; L493-L608 HydrophobicContact CD2-CB 3.86Å; L493-L608 HydrophobicContact CD2-CD1 3.73Å; L493-L608 HydrophobicContact CD2-CG 4.41Å; L493-L631 HydrophobicContact CD2-CD1 4.34Å; L493-L631 HydrophobicContact CD2-CD2 4.22Å; L493-L631 HydrophobicContact CG-CD1 4.47Å
494	N	88.4	Confident	86.3	Confident	36 Å²	36	48.7 Å²	48.7	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-45.1	173.3	-73.3	-14.8	0	0	0	111.2	H490 Q491 L492 I496 F497 H498 I601 K605	H490-N494 PolarHBondContact CD2-ND2 3.49Å; H490-N494 PolarHBondContact NE2-ND2 3.1Å; H490-N494 VanDerWaalsContact NE2-ND2 3.18Å; H490-N494 PolarHBondContact O-N 2.89Å; Q491-N494 PolarHBondContact O-N 3.09Å; L492-N494 PolarHBondContact O-N 3.29Å; N494-I496 VanDerWaalsContact C-N 3.34Å; N494-I496 PolarHBondContact O-N 3.33Å; N494-F497 PolarHBondContact O-N 3.28Å; N494-H498 WeakPolarHBondContact O-CB 3.37Å; N494-H498 PolarHBondContact O-CD2 3.28Å; N494-H498 VanDerWaalsContact O-CG 3.3Å; N494-H498 PolarHBondContact O-N 3.36Å; N494-I601 WeakPolarHBondContact OD1-CD1 3.41Å; N494-K605 WeakPolarHBondContact OD1-CE 3.33Å; N494-K605 PolarHBondContact OD1-NZ 3.38Å
495	K	90.6	Very high	86.8	Confident	117 Å²	117	46.5 Å²	46.5	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-41.7	176.7	-74.6	169.9	-177	171.2	0	112	Q491 L492 L493 T499 L635	Q491-K495 VanDerWaalsContact O-CG 3.29Å; Q491-K495 WeakPolarHBondContact O-CG 3.49Å; Q491-K495 PolarHBondContact O-N 3.08Å; L492-K495 WeakPolarHBondContact O-CB 3.46Å; L492-K495 PolarHBondContact O-N 3.4Å; L492-K495 VanDerWaalsContact O-N 3.15Å; L493-K495 PolarHBondContact O-N 2.79Å; K495-T499 WeakPolarHBondContact O-CB 3.35Å; K495-T499 PolarHBondContact O-N 3.31Å; K495-T499 PolarHBondContact O-OG1 3.33Å; K495-L635 HydrophobicContact CB-CD2 4.45Å
496	I	93.2	Very high	87	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-49.4	176.8	-65.4	165.1	0	0	0	110	L492 L493 N494 H498 T499 L500 F604 L608 L631 F634 L635 L638	L492-I496 HydrophobicContact CG-CD1 4.29Å; L492-I496 VanDerWaalsContact O-CG1 3.28Å; L492-I496 WeakPolarHBondContact O-CG1 3.49Å; L492-I496 PolarHBondContact O-N 3.44Å; L493-I496 PolarHBondContact O-N 2.69Å; N494-I496 VanDerWaalsContact C-N 3.34Å; N494-I496 PolarHBondContact O-N 3.33Å; I496-H498 VanDerWaalsContact C-N 3.35Å; I496-H498 PolarHBondContact O-N 2.99Å; I496-T499 WeakPolarHBondContact O-CB 3.46Å; I496-T499 PolarHBondContact O-N 3.29Å; I496-T499 VanDerWaalsContact O-N 3.09Å; I496-L500 HydrophobicContact CG2-CD1 4.17Å; I496-L500 PolarHBondContact O-N 3.49Å; I496-F604 HydrophobicContact CB-CE1 4.42Å; I496-F604 HydrophobicContact CB-CZ 4.48Å; I496-F604 HydrophobicContact CG2-CE1 4.11Å; I496-F604 HydrophobicContact CG2-CZ 3.68Å; I496-L608 HydrophobicContact CD1-CD1 4.38Å; I496-L608 HydrophobicContact CG2-CD1 4.14Å; I496-L631 HydrophobicContact CD1-CB 4.1Å; I496-L631 HydrophobicContact CD1-CD2 3.91Å; I496-F634 HydrophobicContact CD1-CD1 4.48Å; I496-F634 HydrophobicContact CG2-CD1 4.26Å; I496-F634 HydrophobicContact CG2-CE1 4.12Å; I496-L635 HydrophobicContact CG1-CB 4.02Å; I496-L635 HydrophobicContact CG1-CD1 3.99Å; I496-L635 HydrophobicContact CG1-CG 4.43Å; I496-L638 HydrophobicContact CG2-CD1 3.74Å
497	F	91.5	Very high	87.2	Confident	6 Å²	6	42 Å²	42	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-49.9	177.8	-176	-88.5	0	0	0	111.4	L493 N494 T499 L500 D501 G506 L508 I601 F604	L493-F497 WeakPolarHBondContact O-CB 3.4Å; L493-F497 PolarHBondContact O-N 2.83Å; N494-F497 PolarHBondContact O-N 3.28Å; F497-T499 VanDerWaalsContact C-N 3.26Å; F497-T499 PolarHBondContact O-N 2.94Å; F497-L500 PolarHBondContact O-N 3.21Å; F497-L500 VanDerWaalsContact O-N 3.16Å; F497-D501 HydrophobicContact CD1-CB 4.48Å; F497-D501 HydrophobicContact CE1-CB 4.16Å; F497-D501 WeakPolarHBondContact O-CB 3.33Å; F497-D501 PolarHBondContact O-N 3.49Å; F497-G506 WeakPolarHBondContact CZ-O 3.49Å; F497-L508 HydrophobicContact CD2-CD1 3.35Å; F497-L508 HydrophobicContact CD2-CG 3.95Å; F497-L508 HydrophobicContact CE2-CB 4.43Å; F497-L508 HydrophobicContact CE2-CD1 3.47Å; F497-L508 VanDerWaalsContact CE2-CD1 3.47Å; F497-L508 HydrophobicContact CE2-CG 3.53Å; F497-L508 HydrophobicContact CG-CD1 4.15Å; F497-L508 HydrophobicContact CZ-CD1 4.32Å; F497-L508 HydrophobicContact CZ-CG 4Å; F497-I601 HydrophobicContact CB-CD1 4.22Å; F497-I601 HydrophobicContact CB-CG1 4.16Å; F497-I601 HydrophobicContact CD1-CB 4.2Å; F497-I601 HydrophobicContact CD1-CD1 3.85Å; F497-I601 HydrophobicContact CD1-CG1 4Å; F497-I601 HydrophobicContact CD2-CB 4Å; F497-I601 HydrophobicContact CD2-CG1 3.92Å; F497-I601 HydrophobicContact CE1-CB 4.11Å; F497-I601 HydrophobicContact CE1-CD1 4.42Å; F497-I601 HydrophobicContact CE1-CG1 4.43Å; F497-I601 VanDerWaalsContact CE2-CA 3.46Å; F497-I601 HydrophobicContact CE2-CB 3.88Å; F497-I601 HydrophobicContact CE2-CG1 4.33Å; F497-I601 HydrophobicContact CG-CB 4.15Å; F497-I601 HydrophobicContact CG-CD1 3.97Å; F497-I601 HydrophobicContact CG-CG1 3.74Å; F497-I601 HydrophobicContact CZ-CB 3.95Å; F497-F604 HydrophobicContact CB-CD1 3.92Å; F497-F604 HydrophobicContact CB-CE1 3.85Å; F497-F604 HydrophobicContact CD2-CB 3.87Å; F497-F604 AromaticContact CD2-CD1 3.63Å; F497-F604 HydrophobicContact CD2-CD1 3.63Å; F497-F604 HydrophobicContact CD2-CD2 4.39Å; F497-F604 HydrophobicContact CD2-CE1 4.23Å; F497-F604 AromaticContact CD2-CG 3.7Å; F497-F604 HydrophobicContact CD2-CG 3.7Å; F497-F604 HydrophobicContact CE2-CB 4.17Å; F497-F604 HydrophobicContact CE2-CG 4.39Å; F497-F604 HydrophobicContact CG-CD1 4.27Å
498	H	89.2	Confident	87.6	Confident	74 Å²	74	37 Å²	37	34%	0.343	18%	0.179	S	C	.	.	H	α-helix	trans	-65.7	-26.2	179	-68.6	-46.1	0	0	0	113.9	N494 I496 R656	N494-H498 WeakPolarHBondContact O-CB 3.37Å; N494-H498 PolarHBondContact O-CD2 3.28Å; N494-H498 VanDerWaalsContact O-CG 3.3Å; N494-H498 PolarHBondContact O-N 3.36Å; I496-H498 VanDerWaalsContact C-N 3.35Å; I496-H498 PolarHBondContact O-N 2.99Å; H498-R656 PolarHBondContact O-NH2 3.36Å
499	T	89	Confident	87.7	Confident	34 Å²	34	34.1 Å²	34.1	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-72.5	-38	174.6	-59.1	0	0	0	0	111.1	K495 I496 F497 L635 K639 L642	K495-T499 WeakPolarHBondContact O-CB 3.35Å; K495-T499 PolarHBondContact O-N 3.31Å; K495-T499 PolarHBondContact O-OG1 3.33Å; I496-T499 WeakPolarHBondContact O-CB 3.46Å; I496-T499 PolarHBondContact O-N 3.29Å; I496-T499 VanDerWaalsContact O-N 3.09Å; F497-T499 VanDerWaalsContact C-N 3.26Å; F497-T499 PolarHBondContact O-N 2.94Å; T499-L635 HydrophobicContact CG2-CD1 4.22Å; T499-L635 WeakPolarHBondContact OG1-CD1 3.4Å; T499-K639 HydrophobicContact CG2-CG 4.13Å; T499-L642 HydrophobicContact CG2-CD1 4.16Å; T499-L642 WeakPolarHBondContact O-CD1 3.29Å
500	L	89.9	Confident	87.6	Confident	23 Å²	23	32.3 Å²	32.3	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-73.9	-37.6	175.4	-69	169.7	0	0	0	112.2	I496 F497 Q502 L508 I513 F516 F604 L638 L642	I496-L500 HydrophobicContact CG2-CD1 4.17Å; I496-L500 PolarHBondContact O-N 3.49Å; F497-L500 PolarHBondContact O-N 3.21Å; F497-L500 VanDerWaalsContact O-N 3.16Å; L500-Q502 VanDerWaalsContact C-N 3.32Å; L500-Q502 PolarHBondContact O-N 3.47Å; L500-L508 HydrophobicContact CB-CD1 3.78Å; L500-L508 HydrophobicContact CB-CD2 3.64Å; L500-L508 HydrophobicContact CB-CG 4.4Å; L500-L508 HydrophobicContact CD1-CD1 3.81Å; L500-L508 HydrophobicContact CG-CD1 4.46Å; L500-I513 HydrophobicContact CD1-CG1 4.46Å; L500-F516 HydrophobicContact CD2-CD2 3.97Å; L500-F516 HydrophobicContact CD2-CE2 4.09Å; L500-F604 HydrophobicContact CD1-CE2 3.61Å; L500-F604 HydrophobicContact CD1-CZ 3.64Å; L500-L638 HydrophobicContact CD1-CD1 4.2Å; L500-L638 HydrophobicContact CD2-CD1 3.81Å; L500-L638 HydrophobicContact CD2-CD2 3.75Å; L500-L638 HydrophobicContact CD2-CG 4.36Å; L500-L638 HydrophobicContact CG-CD1 3.93Å; L500-L642 HydrophobicContact CD2-CD1 4.16Å
501	D	90	Very high	87.7	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.053	17%	0.169	C	C	.	.			trans	-84.4	71.5	-179.3	-172	26.9	0	0	0	111.5	F497 E503 C504 S505 G506 L508	F497-D501 HydrophobicContact CD1-CB 4.48Å; F497-D501 HydrophobicContact CE1-CB 4.16Å; F497-D501 WeakPolarHBondContact O-CB 3.33Å; F497-D501 PolarHBondContact O-N 3.49Å; D501-E503 VanDerWaalsContact C-N 3.29Å; D501-E503 PolarHBondContact O-N 3.1Å; D501-C504 PolarHBondContact O-N 3.5Å; D501-C504 PolarHBondContact OD1-N 3.44Å; D501-C504 VanDerWaalsContact OD2-CA 3.3Å; D501-C504 WeakPolarHBondContact OD2-CA 3.49Å; D501-S505 VanDerWaalsContact CG-N 3.33Å; D501-S505 PolarHBondContact OD1-N 2.92Å; D501-S505 PolarHBondContact OD1-OG 3.36Å; D501-S505 PolarHBondContact OD2-N 2.95Å; D501-G506 PolarHBondContact OD2-N 3.33Å; D501-L508 HydrophobicContact CB-CD2 3.83Å
502	Q	87.5	Confident	87.6	Confident	44 Å²	44	36.4 Å²	36.4	21%	0.206	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.2	-178.2	-59.8	-174.2	-24.4	0	0	112.6	L500 T652	L500-Q502 VanDerWaalsContact C-N 3.32Å; L500-Q502 PolarHBondContact O-N 3.47Å; Q502-T652 WeakPolarHBondContact O-CB 3.49Å; Q502-T652 WeakPolarHBondContact O-CG2 3.25Å; Q502-T652 PolarHBondContact O-OG1 3.16Å
503	E	87.2	Confident	87.5	Confident	36 Å²	36	36 Å²	36	17%	0.168	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	6.5	-178.5	-61.7	-59.5	167.2	0	0	113.8	D501 S505 R651 R655 H834 Q837 F838	D501-E503 VanDerWaalsContact C-N 3.29Å; D501-E503 PolarHBondContact O-N 3.1Å; E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 2.85Å; E503-R651 IonicContact OE1-CZ 3.06Å; E503-R651 IonicContact OE1-NE 2.8Å; E503-R651 IonicContact OE1-NH2 3.15Å; E503-R651 PolarHBondContact OE1-NH2 3.01Å; E503-R651 IonicContact OE2-NE 2.85Å; E503-R651 PolarHBondContact OE2-NE 3.11Å; E503-R651 IonicContact OE2-NH2 3.4Å; E503-R655 IonicContact OE2-CZ 2.96Å; E503-R655 IonicContact OE2-NH1 2.97Å; E503-R655 PolarHBondContact OE2-NH1 2.94Å; E503-H834 HydrophobicContact CG-CB 4.28Å; E503-Q837 HydrophobicContact CB-CB 3.87Å; E503-Q837 HydrophobicContact CG-CB 4.49Å; E503-F838 WeakPolarHBondContact O-CA 3.38Å
504	C	90	Very high	87.4	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.041	18%	0.178	C	C	.	.			trans	54.2	43.1	-179.3	-56.1	0	0	0	0	112.3	D501 R655 I659 F838 G841	D501-C504 PolarHBondContact O-N 3.5Å; D501-C504 PolarHBondContact OD1-N 3.44Å; D501-C504 VanDerWaalsContact OD2-CA 3.3Å; D501-C504 WeakPolarHBondContact OD2-CA 3.49Å; C504-R655 HydrophobicContact CB-CB 4.46Å; C504-I659 HydrophobicContact CB-CG1 4.13Å; C504-F838 HydrophobicContact CB-CD2 4.28Å; C504-G841 WeakPolarHBondContact O-CA 3.45Å
505	S	86.3	Confident	87.4	Confident	8 Å²	8	39.2 Å²	39.2	6%	0.056	19%	0.188	C	C	.	.			trans	-81.7	-15.7	-177.9	67.3	0	0	0	0	113.5	D501 E503 M507 Q837 G841	D501-S505 VanDerWaalsContact CG-N 3.33Å; D501-S505 PolarHBondContact OD1-N 2.92Å; D501-S505 PolarHBondContact OD1-OG 3.36Å; D501-S505 PolarHBondContact OD2-N 2.95Å; E503-S505 VanDerWaalsContact C-N 3.26Å; E503-S505 PolarHBondContact O-N 2.85Å; S505-M507 PolarHBondContact O-N 3.2Å; S505-M507 PolarHBondContact OG-N 3.08Å; S505-M507 PolarHBondContact OG-O 3.32Å; S505-Q837 VanDerWaalsContact CA-O 3.32Å; S505-Q837 WeakPolarHBondContact CA-O 3.44Å; S505-Q837 VanDerWaalsContact CB-O 3.3Å; S505-Q837 WeakPolarHBondContact CB-O 3.29Å; S505-G841 VanDerWaalsContact C-CA 3.47Å; S505-G841 WeakPolarHBondContact O-CA 3.22Å; S505-G841 PolarHBondContact O-N 3.36Å
506	G	83.1	Confident	87.4	Confident	7 Å²	7	35.8 Å²	35.8	7%	0.072	17%	0.173	C	C	.	.	S	Bend	trans	72.7	2.3	-173.5	0	0	0	0	0	114	F497 D501	F497-G506 WeakPolarHBondContact CZ-O 3.49Å; D501-G506 PolarHBondContact OD2-N 3.33Å
507	M	83.2	Confident	87.1	Confident	26 Å²	26	35.9 Å²	35.9	13%	0.128	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.9	-174.9	-60.3	-66.4	-78.6	0	0	110.5	S505 Y589 E598 I599 N600	S505-M507 PolarHBondContact O-N 3.2Å; S505-M507 PolarHBondContact OG-N 3.08Å; S505-M507 PolarHBondContact OG-O 3.32Å; M507-Y589 HydrophobicContact CE-CE1 4.02Å; M507-Y589 HydrophobicContact CE-CE2 4.2Å; M507-Y589 WeakPolarHBondContact CE-OH 3.36Å; M507-E598 HydrophobicContact CB-CB 4.32Å; M507-E598 HydrophobicContact CE-CB 4.16Å; M507-I599 CarbonylContact C-O 3.5Å; M507-I599 WeakPolarHBondContact CA-O 3.35Å; M507-N600 HydrophobicContact CE-CB 4.48Å; M507-N600 HydrophobicContact SD-CB 3.61Å
508	L	86.1	Confident	86.9	Confident	11 Å²	11	38.5 Å²	38.5	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.7	176.8	-65.8	178.6	0	0	0	110.7	F497 L500 D501 L510 I513 E598 I599 F604	F497-L508 HydrophobicContact CD2-CD1 3.35Å; F497-L508 HydrophobicContact CD2-CG 3.95Å; F497-L508 HydrophobicContact CE2-CB 4.43Å; F497-L508 HydrophobicContact CE2-CD1 3.47Å; F497-L508 VanDerWaalsContact CE2-CD1 3.47Å; F497-L508 HydrophobicContact CE2-CG 3.53Å; F497-L508 HydrophobicContact CG-CD1 4.15Å; F497-L508 HydrophobicContact CZ-CD1 4.32Å; F497-L508 HydrophobicContact CZ-CG 4Å; L500-L508 HydrophobicContact CB-CD1 3.78Å; L500-L508 HydrophobicContact CB-CD2 3.64Å; L500-L508 HydrophobicContact CB-CG 4.4Å; L500-L508 HydrophobicContact CD1-CD1 3.81Å; L500-L508 HydrophobicContact CG-CD1 4.46Å; D501-L508 HydrophobicContact CB-CD2 3.83Å; L508-L510 PolarHBondContact O-N 3.47Å; L508-I513 HydrophobicContact CB-CD1 3.48Å; L508-I513 VanDerWaalsContact CB-CD1 3.48Å; L508-I513 HydrophobicContact CB-CG1 4.26Å; L508-I513 HydrophobicContact CD1-CD1 4.02Å; L508-I513 HydrophobicContact CG-CD1 4.41Å; L508-E598 CarbonylContact O-C 3.56Å; L508-E598 WeakPolarHBondContact O-CA 3.46Å; L508-I599 HydrophobicContact CB-CG1 4.43Å; L508-I599 PolarHBondContact N-O 3.49Å; L508-I599 PolarHBondContact O-N 3.12Å; L508-F604 HydrophobicContact CD1-CD2 3.73Å; L508-F604 HydrophobicContact CD1-CE2 3.83Å; L508-F604 HydrophobicContact CD1-CG 4.21Å; L508-F604 HydrophobicContact CD1-CZ 4.37Å
509	N	83.7	Confident	86.9	Confident	35 Å²	35	40.2 Å²	40.2	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	117	174.4	-173.6	-64.2	0	0	0	109.9	K511 K512 I513 E598	N509-K511 PolarHBondContact O-N 2.89Å; N509-K511 VanDerWaalsContact OD1-CB 3.28Å; N509-K511 WeakPolarHBondContact OD1-CB 3.09Å; N509-K511 PolarHBondContact OD1-N 3.44Å; N509-K512 HydrophobicContact CB-CB 4.24Å; N509-K512 HydrophobicContact CB-CD 4.08Å; N509-K512 HydrophobicContact CB-CG 3.98Å; N509-K512 WeakPolarHBondContact O-CB 3.35Å; N509-K512 PolarHBondContact O-N 3.06Å; N509-K512 VanDerWaalsContact O-N 3.08Å; N509-K512 PolarHBondContact OD1-N 3.46Å; N509-I513 PolarHBondContact O-N 3.04Å; N509-I513 VanDerWaalsContact O-N 3.15Å; N509-E598 HydrophobicContact CB-CG 4.46Å
510	L	83.2	Confident	86.8	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-39.5	-176.7	-178	64.1	0	0	0	111.4	L508 K512 I513 E514 Y591 V597 I599 L607	L508-L510 PolarHBondContact O-N 3.47Å; L510-K512 PolarHBondContact O-N 3.48Å; L510-I513 WeakPolarHBondContact O-CB 3.37Å; L510-I513 PolarHBondContact O-N 3.12Å; L510-E514 HydrophobicContact CG-CG 4.41Å; L510-E514 VanDerWaalsContact O-CG 3.29Å; L510-E514 WeakPolarHBondContact O-CG 3.3Å; L510-E514 PolarHBondContact O-N 3.13Å; L510-Y591 HydrophobicContact CD2-CE1 4.37Å; L510-V597 HydrophobicContact CB-CB 4.08Å; L510-V597 HydrophobicContact CB-CG1 4.25Å; L510-V597 WeakPolarHBondContact CB-O 3.45Å; L510-V597 HydrophobicContact CD2-CB 4.09Å; L510-V597 HydrophobicContact CD2-CG1 4Å; L510-V597 PolarHBondContact N-O 2.97Å; L510-I599 HydrophobicContact CD1-CD1 4.14Å; L510-L607 HydrophobicContact CD1-CD2 3.7Å
511	K	84.9	Confident	86.6	Confident	133 Å²	133	42 Å²	42	58%	0.578	20%	0.204	S	C	*	.	H	α-helix	trans	-64.4	-39.1	178.8	-168.8	178.9	-179.2	178.5	0	112.3	N509 I513 E514 D515	N509-K511 PolarHBondContact O-N 2.89Å; N509-K511 VanDerWaalsContact OD1-CB 3.28Å; N509-K511 WeakPolarHBondContact OD1-CB 3.09Å; N509-K511 PolarHBondContact OD1-N 3.44Å; K511-I513 VanDerWaalsContact C-N 3.32Å; K511-I513 PolarHBondContact O-N 3.44Å; K511-E514 WeakPolarHBondContact O-CB 3.32Å; K511-E514 PolarHBondContact O-N 3.38Å; K511-D515 VanDerWaalsContact O-CG 3.25Å; K511-D515 PolarHBondContact O-N 2.91Å
512	K	84.9	Confident	86.3	Confident	137 Å²	137	49.8 Å²	49.8	60%	0.596	25%	0.246	S	C	*	.	H	α-helix	trans	-63.4	-40.7	174.3	-67.8	-174.3	-178.7	178.9	0	111.2	N509 L510 D515 F516	N509-K512 HydrophobicContact CB-CB 4.24Å; N509-K512 HydrophobicContact CB-CD 4.08Å; N509-K512 HydrophobicContact CB-CG 3.98Å; N509-K512 WeakPolarHBondContact O-CB 3.35Å; N509-K512 PolarHBondContact O-N 3.06Å; N509-K512 VanDerWaalsContact O-N 3.08Å; N509-K512 PolarHBondContact OD1-N 3.46Å; L510-K512 PolarHBondContact O-N 3.48Å; K512-D515 PolarHBondContact O-N 3.37Å; K512-F516 WeakPolarHBondContact O-CD2 3.25Å; K512-F516 PolarHBondContact O-N 2.92Å; K512-F516 VanDerWaalsContact O-N 3.08Å
513	I	86.6	Confident	86	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-45.2	176.1	-64.6	161.7	0	0	0	110.4	L500 L508 N509 L510 K511 D515 F516 I517 I599 F604 L607	L500-I513 HydrophobicContact CD1-CG1 4.46Å; L508-I513 HydrophobicContact CB-CD1 3.48Å; L508-I513 VanDerWaalsContact CB-CD1 3.48Å; L508-I513 HydrophobicContact CB-CG1 4.26Å; L508-I513 HydrophobicContact CD1-CD1 4.02Å; L508-I513 HydrophobicContact CG-CD1 4.41Å; N509-I513 PolarHBondContact O-N 3.04Å; N509-I513 VanDerWaalsContact O-N 3.15Å; L510-I513 WeakPolarHBondContact O-CB 3.37Å; L510-I513 PolarHBondContact O-N 3.12Å; K511-I513 VanDerWaalsContact C-N 3.32Å; K511-I513 PolarHBondContact O-N 3.44Å; I513-D515 VanDerWaalsContact C-N 3.33Å; I513-D515 PolarHBondContact O-N 2.96Å; I513-F516 PolarHBondContact O-N 2.98Å; I513-I517 HydrophobicContact CG2-CD1 3.48Å; I513-I517 VanDerWaalsContact CG2-CD1 3.48Å; I513-I517 HydrophobicContact CG2-CG1 4.33Å; I513-I517 WeakPolarHBondContact O-CD1 3.4Å; I513-I517 WeakPolarHBondContact O-CG1 3.41Å; I513-I517 PolarHBondContact O-N 3.46Å; I513-I599 HydrophobicContact CD1-CD1 3.77Å; I513-I599 HydrophobicContact CD1-CG1 4Å; I513-F604 HydrophobicContact CD1-CD2 3.87Å; I513-F604 HydrophobicContact CD1-CE2 4.1Å; I513-F604 HydrophobicContact CG1-CE2 4.46Å; I513-L607 HydrophobicContact CG2-CD2 4.4Å
514	E	87	Confident	85.9	Confident	34 Å²	34	52.2 Å²	52.2	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-54.5	-49.1	174.4	-71.2	172.7	176.6	0	0	110.6	L510 K511 F516 I517 L518 L529 K533	L510-E514 HydrophobicContact CG-CG 4.41Å; L510-E514 VanDerWaalsContact O-CG 3.29Å; L510-E514 WeakPolarHBondContact O-CG 3.3Å; L510-E514 PolarHBondContact O-N 3.13Å; K511-E514 WeakPolarHBondContact O-CB 3.32Å; K511-E514 PolarHBondContact O-N 3.38Å; E514-F516 VanDerWaalsContact C-N 3.34Å; E514-F516 PolarHBondContact O-N 2.91Å; E514-I517 PolarHBondContact O-N 3.18Å; E514-L518 WeakPolarHBondContact O-CB 3.4Å; E514-L518 VanDerWaalsContact O-CG 3.23Å; E514-L518 WeakPolarHBondContact O-CG 3.44Å; E514-L518 PolarHBondContact O-N 3.39Å; E514-L529 HydrophobicContact CB-CD2 4.08Å; E514-L529 HydrophobicContact CG-CD1 4.24Å; E514-L529 HydrophobicContact CG-CD2 4.08Å; E514-L529 HydrophobicContact CG-CG 4.48Å; E514-K533 WeakPolarHBondContact OE1-CD 3.43Å; E514-K533 IonicContact OE1-NZ 2.76Å; E514-K533 PolarHBondContact OE1-NZ 2.86Å
515	D	88.2	Confident	85.6	Confident	75 Å²	75	52.1 Å²	52.1	40%	0.401	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-40.3	178.9	-67.7	-26.8	0	0	0	112.1	K511 K512 I513 N519	K511-D515 VanDerWaalsContact O-CG 3.25Å; K511-D515 PolarHBondContact O-N 2.91Å; K512-D515 PolarHBondContact O-N 3.37Å; I513-D515 VanDerWaalsContact C-N 3.33Å; I513-D515 PolarHBondContact O-N 2.96Å; D515-N519 WeakPolarHBondContact O-CB 3.43Å; D515-N519 VanDerWaalsContact O-CG 3.31Å; D515-N519 PolarHBondContact O-N 3.26Å; D515-N519 PolarHBondContact O-ND2 3.01Å
516	F	89.9	Confident	85.5	Confident	45 Å²	45	55.8 Å²	55.8	20%	0.197	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-40.2	175.9	-75.4	-60.3	0	0	0	112.5	L500 K512 I513 E514 Y520 Y637 L638 K641 L642	L500-F516 HydrophobicContact CD2-CD2 3.97Å; L500-F516 HydrophobicContact CD2-CE2 4.09Å; K512-F516 WeakPolarHBondContact O-CD2 3.25Å; K512-F516 PolarHBondContact O-N 2.92Å; K512-F516 VanDerWaalsContact O-N 3.08Å; I513-F516 PolarHBondContact O-N 2.98Å; E514-F516 VanDerWaalsContact C-N 3.34Å; E514-F516 PolarHBondContact O-N 2.91Å; F516-Y520 WeakPolarHBondContact O-CB 3.2Å; F516-Y520 PolarHBondContact O-N 3.41Å; F516-Y520 VanDerWaalsContact O-N 3.16Å; F516-Y637 HydrophobicContact CD1-CE1 4.39Å; F516-Y637 PolarHBondContact O-OH 2.96Å; F516-L638 HydrophobicContact CB-CD2 3.93Å; F516-L638 HydrophobicContact CD1-CD2 3.86Å; F516-L638 HydrophobicContact CD2-CD2 4.21Å; F516-L638 HydrophobicContact CE1-CD2 4.46Å; F516-L638 HydrophobicContact CG-CD2 3.74Å; F516-K641 HydrophobicContact CE1-CB 4.15Å; F516-L642 HydrophobicContact CE1-CD2 4.31Å; F516-L642 HydrophobicContact CE2-CD2 4.26Å; F516-L642 HydrophobicContact CZ-CD2 3.58Å; F516-L642 HydrophobicContact CZ-CG 4.18Å
517	I	87.8	Confident	85.6	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-72.7	-41	-179.1	-66.3	161.8	0	0	0	111.1	I513 E514 N519 Y520 L529 L608 I611 F634	I513-I517 HydrophobicContact CG2-CD1 3.48Å; I513-I517 VanDerWaalsContact CG2-CD1 3.48Å; I513-I517 HydrophobicContact CG2-CG1 4.33Å; I513-I517 WeakPolarHBondContact O-CD1 3.4Å; I513-I517 WeakPolarHBondContact O-CG1 3.41Å; I513-I517 PolarHBondContact O-N 3.46Å; E514-I517 PolarHBondContact O-N 3.18Å; I517-N519 VanDerWaalsContact C-N 3.26Å; I517-N519 PolarHBondContact O-N 3.31Å; I517-Y520 WeakPolarHBondContact O-CB 3.31Å; I517-Y520 PolarHBondContact O-N 2.96Å; I517-Y520 VanDerWaalsContact O-N 3.15Å; I517-L529 HydrophobicContact CB-CD2 4.21Å; I517-L529 HydrophobicContact CD1-CD1 3.91Å; I517-L529 HydrophobicContact CG2-CB 4.27Å; I517-L529 HydrophobicContact CG2-CD2 4.07Å; I517-L608 HydrophobicContact CD1-CD2 4.47Å; I517-I611 HydrophobicContact CD1-CD1 3.7Å; I517-F634 HydrophobicContact CG1-CE2 4.35Å; I517-F634 HydrophobicContact CG1-CZ 4.07Å
518	L	88.3	Confident	85.6	Confident	61 Å²	61	58.2 Å²	58.2	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-31.6	177.4	-72.2	171	0	0	0	112.5	E514 G523 E526 L529	E514-L518 WeakPolarHBondContact O-CB 3.4Å; E514-L518 VanDerWaalsContact O-CG 3.23Å; E514-L518 WeakPolarHBondContact O-CG 3.44Å; E514-L518 PolarHBondContact O-N 3.39Å; L518-G523 WeakPolarHBondContact O-CA 3.24Å; L518-G523 PolarHBondContact O-N 2.89Å; L518-E526 HydrophobicContact CD2-CB 3.79Å; L518-E526 HydrophobicContact CD2-CG 3.6Å; L518-L529 HydrophobicContact CD2-CD2 4.17Å; L518-L529 HydrophobicContact CG-CD2 4Å
519	N	87.4	Confident	85.5	Confident	110 Å²	110	58.1 Å²	58.1	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.1	177.1	-67.5	-50.8	0	0	0	113.4	D515 I517 Y637	D515-N519 WeakPolarHBondContact O-CB 3.43Å; D515-N519 VanDerWaalsContact O-CG 3.31Å; D515-N519 PolarHBondContact O-N 3.26Å; D515-N519 PolarHBondContact O-ND2 3.01Å; I517-N519 VanDerWaalsContact C-N 3.26Å; I517-N519 PolarHBondContact O-N 3.31Å; N519-Y637 VanDerWaalsContact C-OH 3.25Å; N519-Y637 VanDerWaalsContact CB-OH 3.32Å; N519-Y637 WeakPolarHBondContact CB-OH 3.07Å; N519-Y637 PolarHBondContact O-OH 2.76Å
520	Y	88.7	Confident	85.6	Confident	11 Å²	11	62.6 Å²	62.6	4%	0.043	31%	0.314	C	S	.	.	S	Bend	trans	-88.9	134.3	176.8	-178.1	-112.9	0	0	0	109.6	F516 I517 D522 G523 Y525 K633 F634 Y637	F516-Y520 WeakPolarHBondContact O-CB 3.2Å; F516-Y520 PolarHBondContact O-N 3.41Å; F516-Y520 VanDerWaalsContact O-N 3.16Å; I517-Y520 WeakPolarHBondContact O-CB 3.31Å; I517-Y520 PolarHBondContact O-N 2.96Å; I517-Y520 VanDerWaalsContact O-N 3.15Å; Y520-D522 VanDerWaalsContact C-N 3.25Å; Y520-D522 PolarHBondContact O-N 3.31Å; Y520-G523 PolarHBondContact O-N 3.1Å; Y520-Y525 AromaticContact CD1-CD2 3.78Å; Y520-Y525 HydrophobicContact CD1-CD2 3.78Å; Y520-Y525 AromaticContact CD1-CE2 3.53Å; Y520-Y525 HydrophobicContact CD1-CE2 3.53Å; Y520-Y525 HydrophobicContact CE1-CD2 4.25Å; Y520-Y525 AromaticContact CE1-CE2 3.53Å; Y520-Y525 HydrophobicContact CE1-CE2 3.53Å; Y520-K633 VanDerWaalsContact OH-CB 3.27Å; Y520-K633 WeakPolarHBondContact OH-CB 3.39Å; Y520-F634 AromaticContact CD1-CD2 3.93Å; Y520-F634 HydrophobicContact CD1-CD2 3.93Å; Y520-F634 AromaticContact CD2-CD2 3.93Å; Y520-F634 HydrophobicContact CD2-CD2 3.93Å; Y520-F634 HydrophobicContact CE1-CB 4.46Å; Y520-F634 HydrophobicContact CE1-CD2 4.22Å; Y520-F634 HydrophobicContact CE2-CD2 4.19Å; Y520-F634 AromaticContact CG-CD2 3.8Å; Y520-F634 HydrophobicContact CG-CD2 3.8Å; Y520-F634 HydrophobicContact CG-CE2 4.22Å; Y520-Y637 AromaticContact CD2-CD1 3.57Å; Y520-Y637 HydrophobicContact CD2-CD1 3.57Å; Y520-Y637 AromaticContact CD2-CD2 3.73Å; Y520-Y637 HydrophobicContact CD2-CD2 3.73Å; Y520-Y637 HydrophobicContact CD2-CE1 4.03Å; Y520-Y637 HydrophobicContact CD2-CE2 4.12Å; Y520-Y637 AromaticContact CD2-CG 3.41Å; Y520-Y637 HydrophobicContact CD2-CG 3.41Å; Y520-Y637 VanDerWaalsContact CD2-CG 3.41Å; Y520-Y637 HydrophobicContact CE2-CD1 4.3Å; Y520-Y637 HydrophobicContact CE2-CD2 4.28Å; Y520-Y637 AromaticContact CE2-CG 3.85Å; Y520-Y637 HydrophobicContact CE2-CG 3.85Å; Y520-Y637 HydrophobicContact CG-CD1 4.34Å; Y520-Y637 HydrophobicContact CG-CE1 4.48Å
521	E	85.2	Confident	85.6	Confident	83 Å²	83	67.5 Å²	67.5	39%	0.388	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	45.9	47	-179.4	-68.6	178.5	179.5	0	0	113.2	G523 F524 Y525	E521-G523 PolarHBondContact O-N 3.24Å; E521-G523 VanDerWaalsContact O-N 3.14Å; E521-F524 HydrophobicContact CB-CB 4.13Å; E521-F524 VanDerWaalsContact O-CB 3.31Å; E521-F524 WeakPolarHBondContact O-CB 3.49Å; E521-F524 PolarHBondContact O-N 3.03Å; E521-F524 VanDerWaalsContact O-N 3.16Å; E521-Y525 HydrophobicContact CB-CE2 4.4Å; E521-Y525 VanDerWaalsContact OE2-CE2 3.24Å; E521-Y525 WeakPolarHBondContact OE2-CE2 3.39Å; E521-Y525 PolarHBondContact OE2-OH 3.33Å; E521-Y525 VanDerWaalsContact OE2-OH 3.1Å
522	D	83.1	Confident	85.6	Confident	174 Å²	174	61.2 Å²	61.2	93%	0.93	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	53.7	32.5	178.8	-60.7	-41.2	0	0	0	114.7	Y520	Y520-D522 VanDerWaalsContact C-N 3.25Å; Y520-D522 PolarHBondContact O-N 3.31Å
523	G	81.4	Confident	85.6	Confident	18 Å²	18	58.5 Å²	58.5	19%	0.186	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	84.1	14.6	176.1	0	0	0	0	0	114.5	L518 Y520 E521 Y525 E526	L518-G523 WeakPolarHBondContact O-CA 3.24Å; L518-G523 PolarHBondContact O-N 2.89Å; Y520-G523 PolarHBondContact O-N 3.1Å; E521-G523 PolarHBondContact O-N 3.24Å; E521-G523 VanDerWaalsContact O-N 3.14Å; G523-Y525 PolarHBondContact O-N 3.3Å; G523-Y525 VanDerWaalsContact O-N 3.08Å; G523-E526 WeakPolarHBondContact O-CB 3.35Å; G523-E526 PolarHBondContact O-N 2.96Å
524	F	84.1	Confident	85.4	Confident	112 Å²	112	61.5 Å²	61.5	49%	0.491	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-34.5	-179.6	-178.7	-100.8	0	0	0	114	E521 L620	E521-F524 HydrophobicContact CB-CB 4.13Å; E521-F524 VanDerWaalsContact O-CB 3.31Å; E521-F524 WeakPolarHBondContact O-CB 3.49Å; E521-F524 PolarHBondContact O-N 3.03Å; E521-F524 VanDerWaalsContact O-N 3.16Å; F524-L620 HydrophobicContact CE1-CD2 4.04Å; F524-L620 HydrophobicContact CZ-CD2 4.42Å
525	Y	84.1	Confident	85.1	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.016	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.5	-178.4	-58	-87.4	0	0	0	114.8	Y520 E521 G523 A527 H528 L529 I611 F612	Y520-Y525 AromaticContact CD1-CD2 3.78Å; Y520-Y525 HydrophobicContact CD1-CD2 3.78Å; Y520-Y525 AromaticContact CD1-CE2 3.53Å; Y520-Y525 HydrophobicContact CD1-CE2 3.53Å; Y520-Y525 HydrophobicContact CE1-CD2 4.25Å; Y520-Y525 AromaticContact CE1-CE2 3.53Å; Y520-Y525 HydrophobicContact CE1-CE2 3.53Å; E521-Y525 HydrophobicContact CB-CE2 4.4Å; E521-Y525 VanDerWaalsContact OE2-CE2 3.24Å; E521-Y525 WeakPolarHBondContact OE2-CE2 3.39Å; E521-Y525 PolarHBondContact OE2-OH 3.33Å; E521-Y525 VanDerWaalsContact OE2-OH 3.1Å; G523-Y525 PolarHBondContact O-N 3.3Å; G523-Y525 VanDerWaalsContact O-N 3.08Å; Y525-A527 VanDerWaalsContact C-N 3.33Å; Y525-A527 PolarHBondContact O-N 2.94Å; Y525-H528 PolarHBondContact O-N 3.35Å; Y525-H528 VanDerWaalsContact O-N 3.12Å; Y525-L529 WeakPolarHBondContact O-CB 3.41Å; Y525-L529 PolarHBondContact O-N 2.87Å; Y525-I611 HydrophobicContact CD1-CG2 4.02Å; Y525-I611 HydrophobicContact CG-CG2 4.29Å; Y525-F612 HydrophobicContact CD1-CD1 4.38Å; Y525-F612 HydrophobicContact CD1-CE1 4.43Å; Y525-F612 AromaticContact CE1-CD1 3.77Å; Y525-F612 HydrophobicContact CE1-CD1 3.77Å; Y525-F612 AromaticContact CE1-CE1 3.93Å; Y525-F612 HydrophobicContact CE1-CE1 3.93Å; Y525-F612 HydrophobicContact CE2-CE1 4.29Å; Y525-F612 AromaticContact CZ-CE1 3.87Å
526	E	85.3	Confident	84.6	Confident	85 Å²	85	58.8 Å²	58.8	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-56.1	-43.8	-175.3	177.7	179	176.1	0	0	113	L518 G523 L529 K530	L518-E526 HydrophobicContact CD2-CB 3.79Å; L518-E526 HydrophobicContact CD2-CG 3.6Å; G523-E526 WeakPolarHBondContact O-CB 3.35Å; G523-E526 PolarHBondContact O-N 2.96Å; E526-L529 PolarHBondContact O-N 3.42Å; E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 3.47Å; E526-K530 VanDerWaalsContact O-N 3.15Å; E526-K530 VanDerWaalsContact OE1-CE 3.31Å; E526-K530 WeakPolarHBondContact OE1-CE 3.16Å; E526-K530 IonicContact OE1-NZ 2.66Å; E526-K530 PolarHBondContact OE1-NZ 3.48Å
527	A	84	Confident	83.9	Confident	68 Å²	68	57.8 Å²	57.8	56%	0.562	31%	0.305	S	S	*	.	H	α-helix	trans	-65.2	-40.9	179.2	0	0	0	0	0	111.9	Y525 K530 Q531	Y525-A527 VanDerWaalsContact C-N 3.33Å; Y525-A527 PolarHBondContact O-N 2.94Å; A527-K530 PolarHBondContact O-N 3.5Å; A527-Q531 PolarHBondContact O-N 3.38Å; A527-Q531 VanDerWaalsContact O-N 3.15Å
528	H	82.9	Confident	83.3	Confident	17 Å²	17	60.3 Å²	60.3	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-41.6	178.6	-55.5	113.1	0	0	0	111.6	Y525 K530 Q531 A532 I611 N617 L620	Y525-H528 PolarHBondContact O-N 3.35Å; Y525-H528 VanDerWaalsContact O-N 3.12Å; H528-K530 VanDerWaalsContact C-N 3.32Å; H528-K530 PolarHBondContact O-N 2.87Å; H528-Q531 PolarHBondContact O-N 3.08Å; H528-A532 VanDerWaalsContact O-CB 3.24Å; H528-A532 WeakPolarHBondContact O-CB 3.39Å; H528-A532 PolarHBondContact O-N 3.24Å; H528-I611 HydrophobicContact CB-CG2 4.46Å; H528-N617 PolarHBondContact NE2-ND2 2.98Å; H528-L620 WeakPolarHBondContact CE1-CD1 3.4Å; H528-L620 WeakPolarHBondContact NE2-CD1 3.34Å
529	L	85.8	Confident	82.3	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-43.3	174.2	176.8	62.9	0	0	0	112	E514 I517 L518 Y525 E526 K533 I611	E514-L529 HydrophobicContact CB-CD2 4.08Å; E514-L529 HydrophobicContact CG-CD1 4.24Å; E514-L529 HydrophobicContact CG-CD2 4.08Å; E514-L529 HydrophobicContact CG-CG 4.48Å; I517-L529 HydrophobicContact CB-CD2 4.21Å; I517-L529 HydrophobicContact CD1-CD1 3.91Å; I517-L529 HydrophobicContact CG2-CB 4.27Å; I517-L529 HydrophobicContact CG2-CD2 4.07Å; L518-L529 HydrophobicContact CD2-CD2 4.17Å; L518-L529 HydrophobicContact CG-CD2 4Å; Y525-L529 WeakPolarHBondContact O-CB 3.41Å; Y525-L529 PolarHBondContact O-N 2.87Å; E526-L529 PolarHBondContact O-N 3.42Å; L529-K533 VanDerWaalsContact O-CB 3.27Å; L529-K533 WeakPolarHBondContact O-CB 3.43Å; L529-K533 PolarHBondContact O-N 3.4Å; L529-I611 HydrophobicContact CD1-CD1 3.96Å
530	K	85.1	Confident	81.2	Confident	128 Å²	128	55.4 Å²	55.4	56%	0.557	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-42.4	177.1	-73.1	175	-173	167.4	0	111.9	E526 A527 H528 S534	E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 3.47Å; E526-K530 VanDerWaalsContact O-N 3.15Å; E526-K530 VanDerWaalsContact OE1-CE 3.31Å; E526-K530 WeakPolarHBondContact OE1-CE 3.16Å; E526-K530 IonicContact OE1-NZ 2.66Å; E526-K530 PolarHBondContact OE1-NZ 3.48Å; A527-K530 PolarHBondContact O-N 3.5Å; H528-K530 VanDerWaalsContact C-N 3.32Å; H528-K530 PolarHBondContact O-N 2.87Å; K530-S534 PolarHBondContact O-N 2.92Å
531	Q	83	Confident	80	Confident	107 Å²	107	59.4 Å²	59.4	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-52.3	177.8	-177.2	56.7	39.8	0	0	111.4	A527 H528 K533 S534 D535	A527-Q531 PolarHBondContact O-N 3.38Å; A527-Q531 VanDerWaalsContact O-N 3.15Å; H528-Q531 PolarHBondContact O-N 3.08Å; Q531-K533 PolarHBondContact O-N 2.83Å; Q531-S534 CarbonylContact O-C 3.58Å; Q531-S534 WeakPolarHBondContact O-CA 3.28Å; Q531-S534 VanDerWaalsContact O-CB 3.28Å; Q531-S534 WeakPolarHBondContact O-CB 3.29Å; Q531-S534 PolarHBondContact O-N 2.74Å; Q531-D535 VanDerWaalsContact NE2-CG 3.27Å; Q531-D535 PolarHBondContact NE2-OD1 3.36Å; Q531-D535 PolarHBondContact NE2-OD2 3.44Å; Q531-D535 PolarHBondContact O-N 3.3Å
532	A	85.1	Confident	78.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-36.1	179.4	0	0	0	0	0	112.4	H528 D535 L536 L607 D610 I611	H528-A532 VanDerWaalsContact O-CB 3.24Å; H528-A532 WeakPolarHBondContact O-CB 3.39Å; H528-A532 PolarHBondContact O-N 3.24Å; A532-D535 PolarHBondContact O-N 2.89Å; A532-L536 VanDerWaalsContact O-CB 3.23Å; A532-L536 WeakPolarHBondContact O-CB 3.41Å; A532-L536 PolarHBondContact O-N 2.99Å; A532-L607 HydrophobicContact CB-CD1 3.93Å; A532-D610 HydrophobicContact CB-CB 3.6Å; A532-I611 HydrophobicContact CB-CG1 3.72Å
533	K	84.5	Confident	77.1	Confident	80 Å²	80	52.3 Å²	52.3	35%	0.348	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-41.5	172.7	179.6	177.6	175.6	166.5	0	112.5	E514 L529 Q531 D535 A537	E514-K533 WeakPolarHBondContact OE1-CD 3.43Å; E514-K533 IonicContact OE1-NZ 2.76Å; E514-K533 PolarHBondContact OE1-NZ 2.86Å; L529-K533 VanDerWaalsContact O-CB 3.27Å; L529-K533 WeakPolarHBondContact O-CB 3.43Å; L529-K533 PolarHBondContact O-N 3.4Å; Q531-K533 PolarHBondContact O-N 2.83Å; K533-D535 VanDerWaalsContact C-N 3.31Å; K533-A537 WeakPolarHBondContact O-CB 3.28Å; K533-A537 PolarHBondContact O-N 3.19Å
534	S	81.7	Confident	75.4	Confident	68 Å²	68	51.8 Å²	51.8	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.8	-175.1	0	0	0	0	110.5	K530 Q531 A537 S538	K530-S534 PolarHBondContact O-N 2.92Å; Q531-S534 CarbonylContact O-C 3.58Å; Q531-S534 WeakPolarHBondContact O-CA 3.28Å; Q531-S534 VanDerWaalsContact O-CB 3.28Å; Q531-S534 WeakPolarHBondContact O-CB 3.29Å; Q531-S534 PolarHBondContact O-N 2.74Å; S534-A537 PolarHBondContact O-N 3.47Å; S534-S538 WeakPolarHBondContact O-CB 3.4Å; S534-S538 PolarHBondContact O-N 3.36Å
535	D	80.6	Confident	73	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-47.5	-180	-65.5	-24.5	0	0	0	111	Q531 A532 K533 A537 S538 N539	Q531-D535 VanDerWaalsContact NE2-CG 3.27Å; Q531-D535 PolarHBondContact NE2-OD1 3.36Å; Q531-D535 PolarHBondContact NE2-OD2 3.44Å; Q531-D535 PolarHBondContact O-N 3.3Å; A532-D535 PolarHBondContact O-N 2.89Å; K533-D535 VanDerWaalsContact C-N 3.31Å; D535-A537 PolarHBondContact O-N 3.04Å; D535-S538 PolarHBondContact O-N 3.38Å; D535-S538 VanDerWaalsContact O-N 3.11Å; D535-S538 PolarHBondContact O-OG 3.4Å; D535-N539 WeakPolarHBondContact O-CB 3.12Å; D535-N539 VanDerWaalsContact O-CG 3.3Å; D535-N539 PolarHBondContact O-N 3.37Å; D535-N539 PolarHBondContact O-ND2 2.93Å
536	L	79.3	Confident	70.6	Confident	1 Å²	1	57 Å²	57	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-59.2	-44.2	173.8	-178	64.1	0	0	0	111.9	A532 S538 N539 I540 Y591 I599 D603 I606 L607	A532-L536 VanDerWaalsContact O-CB 3.23Å; A532-L536 WeakPolarHBondContact O-CB 3.41Å; A532-L536 PolarHBondContact O-N 2.99Å; L536-S538 VanDerWaalsContact C-N 3.3Å; L536-S538 PolarHBondContact O-N 3.05Å; L536-N539 PolarHBondContact O-N 2.9Å; L536-I540 HydrophobicContact CD1-CD1 3.95Å; L536-I540 HydrophobicContact CD1-CG1 4.28Å; L536-I540 HydrophobicContact CG-CD1 3.83Å; L536-I540 WeakPolarHBondContact O-CB 3.33Å; L536-I540 VanDerWaalsContact O-CG1 3.25Å; L536-I540 WeakPolarHBondContact O-CG1 3.47Å; L536-I540 PolarHBondContact O-N 3.26Å; L536-Y591 WeakPolarHBondContact CD2-OH 3.49Å; L536-I599 HydrophobicContact CD2-CG2 4.37Å; L536-D603 HydrophobicContact CD1-CB 4.15Å; L536-I606 HydrophobicContact CD1-CG2 4.41Å; L536-L607 HydrophobicContact CD2-CB 4.25Å; L536-L607 HydrophobicContact CD2-CD1 4.14Å
537	A	75.5	Confident	68.2	Low	23 Å²	23	56 Å²	56	19%	0.19	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-38.2	176.2	0	0	0	0	0	111.6	K533 S534 D535 Q541 Y591	K533-A537 WeakPolarHBondContact O-CB 3.28Å; K533-A537 PolarHBondContact O-N 3.19Å; S534-A537 PolarHBondContact O-N 3.47Å; D535-A537 PolarHBondContact O-N 3.04Å; A537-Q541 WeakPolarHBondContact O-CB 3.37Å; A537-Q541 VanDerWaalsContact O-CG 3.26Å; A537-Q541 WeakPolarHBondContact O-CG 3.5Å; A537-Q541 PolarHBondContact O-N 2.89Å; A537-Y591 HydrophobicContact CB-CE1 4.42Å
538	S	73.4	Confident	65.5	Low	56 Å²	56	54.7 Å²	54.7	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-39	176.2	81.4	0	0	0	0	112.5	S534 D535 L536 Q541 S542	S534-S538 WeakPolarHBondContact O-CB 3.4Å; S534-S538 PolarHBondContact O-N 3.36Å; D535-S538 PolarHBondContact O-N 3.38Å; D535-S538 VanDerWaalsContact O-N 3.11Å; D535-S538 PolarHBondContact O-OG 3.4Å; L536-S538 VanDerWaalsContact C-N 3.3Å; L536-S538 PolarHBondContact O-N 3.05Å; S538-Q541 PolarHBondContact O-N 2.92Å; S538-S542 WeakPolarHBondContact O-CB 3.34Å; S538-S542 PolarHBondContact O-N 2.94Å; S538-S542 PolarHBondContact O-OG 2.92Å
539	N	67.1	Low	62.7	Low	39 Å²	39	58.6 Å²	58.6	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-47.4	175.8	-72.5	-20.2	0	0	0	110.3	D535 L536 Q541 S542 T543	D535-N539 WeakPolarHBondContact O-CB 3.12Å; D535-N539 VanDerWaalsContact O-CG 3.3Å; D535-N539 PolarHBondContact O-N 3.37Å; D535-N539 PolarHBondContact O-ND2 2.93Å; L536-N539 PolarHBondContact O-N 2.9Å; N539-Q541 VanDerWaalsContact C-N 3.3Å; N539-Q541 PolarHBondContact O-N 2.97Å; N539-S542 PolarHBondContact O-N 3.2Å; N539-S542 VanDerWaalsContact O-N 3.14Å; N539-S542 PolarHBondContact O-OG 3.37Å; N539-T543 PolarHBondContact O-N 3.42Å; N539-T543 PolarHBondContact O-OG1 2.88Å
540	I	65.4	Low	59.9	Low	28 Å²	28	61.9 Å²	61.9	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-38.1	177.8	-67.3	169.5	0	0	0	111.4	L536 A544 Y591	L536-I540 HydrophobicContact CD1-CD1 3.95Å; L536-I540 HydrophobicContact CD1-CG1 4.28Å; L536-I540 HydrophobicContact CG-CD1 3.83Å; L536-I540 WeakPolarHBondContact O-CB 3.33Å; L536-I540 VanDerWaalsContact O-CG1 3.25Å; L536-I540 WeakPolarHBondContact O-CG1 3.47Å; L536-I540 PolarHBondContact O-N 3.26Å; I540-A544 WeakPolarHBondContact O-CB 3.22Å; I540-A544 PolarHBondContact O-N 3.33Å; I540-A544 VanDerWaalsContact O-N 3.16Å; I540-Y591 HydrophobicContact CD1-CD2 4.01Å; I540-Y591 HydrophobicContact CD1-CE2 3.3Å; I540-Y591 HydrophobicContact CG2-CD2 4.41Å
541	Q	62.5	Low	57	Low	96 Å²	96	59.8 Å²	59.8	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-37.5	174.6	-75.4	-179.9	16.4	0	0	113	A537 S538 N539 A544 R545	A537-Q541 WeakPolarHBondContact O-CB 3.37Å; A537-Q541 VanDerWaalsContact O-CG 3.26Å; A537-Q541 WeakPolarHBondContact O-CG 3.5Å; A537-Q541 PolarHBondContact O-N 2.89Å; S538-Q541 PolarHBondContact O-N 2.92Å; N539-Q541 VanDerWaalsContact C-N 3.3Å; N539-Q541 PolarHBondContact O-N 2.97Å; Q541-A544 PolarHBondContact O-N 3.45Å; Q541-R545 WeakPolarHBondContact O-CG 3Å; Q541-R545 PolarHBondContact O-N 3.44Å
542	S	55.4	Low	54.1	Low	63 Å²	63	61 Å²	61	44%	0.441	35%	0.349	S	S	.	.	H	α-helix	trans	-71.2	-43.4	179.2	69.4	0	0	0	0	111.2	S538 N539 A544 R545 S546	S538-S542 WeakPolarHBondContact O-CB 3.34Å; S538-S542 PolarHBondContact O-N 2.94Å; S538-S542 PolarHBondContact O-OG 2.92Å; N539-S542 PolarHBondContact O-N 3.2Å; N539-S542 VanDerWaalsContact O-N 3.14Å; N539-S542 PolarHBondContact O-OG 3.37Å; S542-A544 PolarHBondContact O-N 2.89Å; S542-R545 PolarHBondContact O-N 2.9Å; S542-R545 VanDerWaalsContact O-N 3.11Å; S542-S546 PolarHBondContact O-N 3.2Å; S542-S546 PolarHBondContact O-OG 2.99Å
543	T	52.7	Low	51.1	Low	44 Å²	44	69.7 Å²	69.7	27%	0.27	39%	0.389	S	S	.	.	H	α-helix	trans	-56.4	-34.1	171.3	-47.3	0	0	0	0	110.7	N539 S546 F547 D1034	N539-T543 PolarHBondContact O-N 3.42Å; N539-T543 PolarHBondContact O-OG1 2.88Å; T543-S546 PolarHBondContact O-OG 3.39Å; T543-S546 VanDerWaalsContact O-OG 3.07Å; T543-F547 HydrophobicContact CG2-CE2 3.99Å; T543-F547 WeakPolarHBondContact O-CD2 3.49Å; T543-F547 WeakPolarHBondContact O-CE2 3.4Å; T543-D1034 PolarHBondContact OG1-OD2 3.33Å
544	A	46	Very low	48.1	Very low	8 Å²	8	72.3 Å²	72.3	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-78.7	-32.4	176.7	0	0	0	0	0	114.6	I540 Q541 S542 S548 Y590	I540-A544 WeakPolarHBondContact O-CB 3.22Å; I540-A544 PolarHBondContact O-N 3.33Å; I540-A544 VanDerWaalsContact O-N 3.16Å; Q541-A544 PolarHBondContact O-N 3.45Å; S542-A544 PolarHBondContact O-N 2.89Å; A544-S548 PolarHBondContact O-N 2.98Å; A544-S548 PolarHBondContact O-OG 2.92Å; A544-Y590 HydrophobicContact CB-CE1 4.15Å; A544-Y590 WeakPolarHBondContact CB-OH 3.37Å
545	R	34.6	Very low	45.2	Very low	162 Å²	162	75.7 Å²	75.7	61%	0.611	43%	0.43	S	S	*	.	H	α-helix	trans	-75.5	-36	177.2	-73.7	-176.6	-159.6	166.7	9.2	113.1	Q541 S542 F547 S548 T549	Q541-R545 WeakPolarHBondContact O-CG 3Å; Q541-R545 PolarHBondContact O-N 3.44Å; S542-R545 PolarHBondContact O-N 2.9Å; S542-R545 VanDerWaalsContact O-N 3.11Å; R545-F547 PolarHBondContact O-N 2.73Å; R545-S548 PolarHBondContact O-N 3.34Å; R545-T549 PolarHBondContact O-N 2.79Å; R545-T549 PolarHBondContact O-OG1 3.33Å
546	S	32.7	Very low	42.3	Very low	62 Å²	62	77.5 Å²	77.5	43%	0.434	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-25.4	177.3	54.7	0	0	0	0	112.4	S542 T543	S542-S546 PolarHBondContact O-N 3.2Å; S542-S546 PolarHBondContact O-OG 2.99Å; T543-S546 PolarHBondContact O-OG 3.39Å; T543-S546 VanDerWaalsContact O-OG 3.07Å
547	F	35.7	Very low	39.4	Very low	66 Å²	66	82.6 Å²	82.6	29%	0.289	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13	171.3	-63.4	-63.4	0	0	0	114.6	T543 R545 Y812	T543-F547 HydrophobicContact CG2-CE2 3.99Å; T543-F547 WeakPolarHBondContact O-CD2 3.49Å; T543-F547 WeakPolarHBondContact O-CE2 3.4Å; R545-F547 PolarHBondContact O-N 2.73Å; F547-Y812 VanDerWaalsContact CD2-OH 3.23Å; F547-Y812 WeakPolarHBondContact CD2-OH 3.27Å; F547-Y812 WeakPolarHBondContact CG-OH 3.14Å
548	S	26.6	Very low	36.7	Very low	39 Å²	39	91.4 Å²	91.4	27%	0.273	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-28.8	178.4	-54.8	0	0	0	0	113.1	A544 R545 S550 S551	A544-S548 PolarHBondContact O-N 2.98Å; A544-S548 PolarHBondContact O-OG 2.92Å; R545-S548 PolarHBondContact O-N 3.34Å; S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 3.08Å; S548-S551 PolarHBondContact O-N 2.71Å; S548-S551 PolarHBondContact O-OG 2.72Å; S548-S551 VanDerWaalsContact O-OG 3.06Å
549	T	24.2	Very low	34	Very low	100 Å²	100	94.7 Å²	94.7	61%	0.613	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-76	-14.9	-175.6	38.9	0	0	0	0	114	R545 S551	R545-T549 PolarHBondContact O-N 2.79Å; R545-T549 PolarHBondContact O-OG1 3.33Å; T549-S551 PolarHBondContact O-N 3.4Å
550	S	26.1	Very low	31.7	Very low	77 Å²	77	101.8 Å²	101.8	54%	0.538	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-75.4	-3.4	174.3	55.3	0	0	0	0	114.6	S548	S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 3.08Å
551	S	25.3	Very low	29.5	Very low	85 Å²	85	106.9 Å²	106.9	59%	0.594	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-105.4	-10.8	-179.9	62.2	0	0	0	0	116.6	S548 T549 Q553	S548-S551 PolarHBondContact O-N 2.71Å; S548-S551 PolarHBondContact O-OG 2.72Å; S548-S551 VanDerWaalsContact O-OG 3.06Å; T549-S551 PolarHBondContact O-N 3.4Å; S551-Q553 PolarHBondContact O-N 3.39Å
552	D	22	Very low	27.4	Very low	131 Å²	131	107.8 Å²	107.8	70%	0.701	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	1	-165.1	-81.8	-2.5	0	0	0	115.8
553	Q	22.6	Very low	25.7	Very low	184 Å²	184	109.4 Å²	109.4	86%	0.86	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	0.3	-175.2	-66.6	-144.3	-0.3	0	0	117.3	S551	S551-Q553 PolarHBondContact O-N 3.39Å
554	V	21.4	Very low	24.1	Very low	135 Å²	135	116 Å²	116	82%	0.818	65%	0.645	S	S	*	*			trans	-124.6	63.7	-178.6	-164.8	0	0	0	0	112.2
555	T	19.9	Very low	22.8	Very low	139 Å²	139	122.3 Å²	122.3	85%	0.853	68%	0.676	S	S	*	*			trans	-133.5	69.1	158.6	43.5	0	0	0	0	110.3
556	S	19.1	Very low	22.1	Very low	90 Å²	90	119.5 Å²	119.5	63%	0.629	68%	0.681	S	S	*	*	S	Bend	trans	-127.3	99	159.3	52.6	0	0	0	0	110.4
557	S	18.5	Very low	21.5	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	70%	0.7	S	S	*	*			trans	40.9	86.4	141.5	58.9	0	0	0	0	118.6
558	F	18.9	Very low	20.8	Very low	208 Å²	208	123.7 Å²	123.7	91%	0.912	72%	0.719	S	S	*	*			trans	-131.6	102.7	149.6	-82.3	-83	0	0	0	109.9
559	T	18	Very low	20.7	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	75%	0.745	S	S	*	*			trans	-89.2	131.4	162.4	35.8	0	0	0	0	106.5
560	F	18.8	Very low	20.5	Very low	188 Å²	188	131.8 Å²	131.8	83%	0.825	76%	0.755	S	S	*	*			trans	-173.8	115.9	139.7	-118.7	-92.3	0	0	0	113.3
561	N	19	Very low	20.3	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	77%	0.769	S	S	*	*			trans	30	116.3	145.7	-61.7	-16	0	0	0	122.6
562	S	18.7	Very low	20.3	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	78%	0.78	S	S	*	*			trans	-55.6	137.7	156.5	53.2	0	0	0	0	115.2
563	S	18.2	Very low	20.3	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	79%	0.785	S	S	*	*			trans	-169.9	130	143.7	62.5	0	0	0	0	113.8
564	F	19.2	Very low	20.4	Very low	182 Å²	182	134.8 Å²	134.8	80%	0.798	78%	0.778	S	S	*	*			trans	98.8	115.3	146.9	-65	-62.8	0	0	0	123.5
565	I	19.7	Very low	20.8	Very low	141 Å²	141	132.2 Å²	132.2	72%	0.723	77%	0.766	S	S	*	*			trans	74.3	105.1	130.6	-56.3	165.4	0	0	0	117.6
566	S	18.7	Very low	21.1	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	75%	0.754	S	S	*	*				96.5	136.8	71.9	-59.8	0	0	0	0	114.9
567	S	21.2	Very low	21.5	Very low	118 Å²	118	132 Å²	132	83%	0.825	74%	0.742	S	S	*	*			trans	76.6	146.2	166.5	69.3	0	0	0	0	117.4
568	S	21.6	Very low	21.9	Very low	99 Å²	99	131 Å²	131	69%	0.692	73%	0.725	S	S	*	*			cis	-179.9	155.7	-16.6	49.6	0	0	0	0	108.2
569	E	23.5	Very low	22.1	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	71%	0.714	S	S	*	*			trans	94.9	107.5	155.5	-60.9	-176.6	175.7	0	0	123.7
570	T	20.8	Very low	22.8	Very low	134 Å²	134	125.5 Å²	125.5	82%	0.822	69%	0.69	S	S	*	*			trans	53.8	119.8	134.4	56.3	0	0	0	0	124.2
571	F	20.9	Very low	23.2	Very low	190 Å²	190	118.9 Å²	118.9	83%	0.833	67%	0.666	S	S	*	*			trans	-141.8	148.6	166.8	-109.8	-89.8	0	0	0	113
572	S	25	Very low	23.6	Very low	119 Å²	119	115.7 Å²	115.7	83%	0.832	65%	0.648	S	S	*	*			trans	-133.9	140.9	-178.8	59	0	0	0	0	112.4
573	G	23.5	Very low	24.1	Very low	78 Å²	78	115.1 Å²	115.1	80%	0.804	63%	0.633	S	S	*	*			trans	131.1	100.1	164.3	0	0	0	0	0	114.9
574	Q	24.5	Very low	24.4	Very low	153 Å²	153	113.7 Å²	113.7	72%	0.715	62%	0.617	S	S	*	*			trans	-94.9	124.4	-170.4	-73.5	156.8	-48	0	0	113.6	Y576	Q574-Y576 HydrophobicContact CB-CD2 3.93Å; Q574-Y576 HydrophobicContact CB-CE2 3.56Å; Q574-Y576 HydrophobicContact CG-CD2 4.37Å; Q574-Y576 HydrophobicContact CG-CE2 3.51Å; Q574-Y576 PolarHBondContact NE2-OH 3.38Å
575	S	28.6	Very low	24.6	Very low	82 Å²	82	112.6 Å²	112.6	57%	0.573	62%	0.615	S	S	*	*			trans	-132.7	95.3	161	48.9	0	0	0	0	110.4	L577	S575-L577 PolarHBondContact O-N 3.47Å; S575-L577 VanDerWaalsContact O-N 3.1Å
576	Y	25.8	Very low	25.1	Very low	152 Å²	152	109.2 Å²	109.2	60%	0.596	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	60.3	-168.4	-76.4	-81.9	0	0	0	114.8	Q574	Q574-Y576 HydrophobicContact CB-CD2 3.93Å; Q574-Y576 HydrophobicContact CB-CE2 3.56Å; Q574-Y576 HydrophobicContact CG-CD2 4.37Å; Q574-Y576 HydrophobicContact CG-CE2 3.51Å; Q574-Y576 PolarHBondContact NE2-OH 3.38Å
577	L	28.1	Very low	25.5	Very low	71 Å²	71	106.9 Å²	106.9	37%	0.372	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.6	11.7	162.9	-75.3	179.6	0	0	0	113.4	S575 N672	S575-L577 PolarHBondContact O-N 3.47Å; S575-L577 VanDerWaalsContact O-N 3.1Å; L577-N672 VanDerWaalsContact CD1-O 3.27Å; L577-N672 WeakPolarHBondContact CD1-O 3.28Å
578	Q	27.8	Very low	25.9	Very low	86 Å²	86	103.2 Å²	103.2	40%	0.402	55%	0.547	S	S	.	.			trans	-120	82.7	-161.8	-146.5	165.9	5.9	0	0	109.6	Y857	Q578-Y857 HydrophobicContact CG-CE1 4.46Å; Q578-Y857 PolarHBondContact NE2-OH 2.81Å; Q578-Y857 PolarHBondContact OE1-OH 2.89Å
579	R	22.9	Very low	26.4	Very low	180 Å²	180	102.1 Å²	102.1	68%	0.679	53%	0.528	S	S	*	.			trans	151.4	90.4	163	-87.6	167.8	-150.4	173.5	3.9	108.3	P707	R579-P707 HydrophobicContact CB-CG 4.05Å; R579-P707 WeakPolarHBondContact O-CD 3.43Å; R579-P707 WeakPolarHBondContact O-CG 3.46Å
580	S	32.3	Very low	27.1	Very low	39 Å²	39	98.7 Å²	98.7	27%	0.273	51%	0.508	S	S	.	.			trans	-156.5	163.2	166.7	60	0	0	0	0	111	K1065	S580-K1065 WeakPolarHBondContact O-CE 3.4Å
581	V	27.6	Very low	27.5	Very low	50 Å²	50	94.7 Å²	94.7	30%	0.303	48%	0.479	S	S	.	.	S	Bend	trans	70.8	85.4	172.8	-156.2	0	0	0	0	115.4	I814 K1065	V581-I814 HydrophobicContact CG2-CG2 4.33Å; V581-K1065 WeakPolarHBondContact O-CE 3.33Å
582	N	26.9	Very low	28	Very low	66 Å²	66	91.3 Å²	91.3	35%	0.353	47%	0.465	S	S	.	.			trans	159.6	95.1	140.8	-83.8	-12.6	0	0	0	108	N1063 N1064	N582-N1063 WeakPolarHBondContact CB-O 3.33Å; N582-N1063 PolarHBondContact ND2-O 2.9Å; N582-N1064 PolarHBondContact ND2-O 3.27Å
583	Q	28.4	Very low	28.5	Very low	105 Å²	105	91.7 Å²	91.7	49%	0.491	47%	0.465	S	S	.	.	S	Bend	trans	170.7	58.3	152.3	-94.4	176.8	29.3	0	0	108.6	T721 N1063	Q583-T721 PolarHBondContact OE1-OG1 3.49Å; Q583-N1063 PolarHBondContact NE2-OD1 2.96Å
584	L	24.4	Very low	29.3	Very low	65 Å²	65	97.1 Å²	97.1	34%	0.34	47%	0.469	S	S	.	.	S	Bend	trans	-157.2	99.8	159.2	-111.9	157.3	0	0	0	105.9	N586 S723	L584-N586 VanDerWaalsContact C-N 3.31Å; L584-N586 PolarHBondContact O-N 3.13Å; L584-S723 WeakPolarHBondContact CD1-OG 3.38Å
585	Q	24.8	Very low	30.5	Very low	159 Å²	159	95.5 Å²	95.5	74%	0.743	46%	0.46	S	S	*	.			trans	27.5	67.3	153.8	-67.3	174.5	-9.2	0	0	113	L587	Q585-L587 VanDerWaalsContact C-N 3.27Å; Q585-L587 WeakPolarHBondContact O-CG 3.27Å; Q585-L587 PolarHBondContact O-N 3.43Å
586	N	29.8	Very low	31.8	Very low	71 Å²	71	95.7 Å²	95.7	38%	0.38	46%	0.461	S	S	.	.			trans	33.1	64.3	138.8	-99.6	4.7	0	0	0	112.1	L584 H588	L584-N586 VanDerWaalsContact C-N 3.31Å; L584-N586 PolarHBondContact O-N 3.13Å; N586-H588 WeakPolarHBondContact CB-CE1 3.22Å; N586-H588 VanDerWaalsContact CB-ND1 3.34Å; N586-H588 WeakPolarHBondContact CB-ND1 3.46Å; N586-H588 PolarHBondContact ND2-CE1 2.84Å; N586-H588 VanDerWaalsContact ND2-CE1 3.34Å; N586-H588 PolarHBondContact O-N 3.24Å; N586-H588 PolarHBondContact O-ND1 3.48Å
587	L	27.1	Very low	33.8	Very low	54 Å²	54	89.6 Å²	89.6	28%	0.283	44%	0.44	S	S	.	.			trans	-77.2	70.7	-179.2	-71.1	177.2	0	0	0	107.1	Q585 L756 R757 F813	Q585-L587 VanDerWaalsContact C-N 3.27Å; Q585-L587 WeakPolarHBondContact O-CG 3.27Å; Q585-L587 PolarHBondContact O-N 3.43Å; L587-L756 HydrophobicContact CD1-CB 3.99Å; L587-R757 HydrophobicContact CD2-CB 4.37Å; L587-R757 HydrophobicContact CD2-CG 4.32Å; L587-F813 HydrophobicContact CB-CD2 4.34Å; L587-F813 VanDerWaalsContact O-CD2 3.28Å; L587-F813 WeakPolarHBondContact O-CD2 3.21Å
588	H	29.1	Very low	36	Very low	41 Å²	41	87.5 Å²	87.5	19%	0.19	43%	0.428	C	S	.	.			trans	-72.1	136.3	-172.5	-73.6	97.4	0	0	0	110.4	N586 Y590	N586-H588 WeakPolarHBondContact CB-CE1 3.22Å; N586-H588 VanDerWaalsContact CB-ND1 3.34Å; N586-H588 WeakPolarHBondContact CB-ND1 3.46Å; N586-H588 PolarHBondContact ND2-CE1 2.84Å; N586-H588 VanDerWaalsContact ND2-CE1 3.34Å; N586-H588 PolarHBondContact O-N 3.24Å; N586-H588 PolarHBondContact O-ND1 3.48Å; H588-Y590 HydrophobicContact CB-CD2 3.18Å; H588-Y590 HydrophobicContact CB-CE2 3.29Å; H588-Y590 HydrophobicContact CB-CG 4.04Å; H588-Y590 AromaticContact CD2-CE2 3.72Å; H588-Y590 AromaticContact CG-CD2 3.81Å; H588-Y590 AromaticContact CG-CE2 3.33Å; H588-Y590 AromaticContact ND1-CE2 3.63Å; H588-Y590 PolarHBondContact O-N 3.36Å
589	Y	33.1	Very low	38.5	Very low	76 Å²	76	83.4 Å²	83.4	30%	0.298	41%	0.409	S	S	.	.			trans	-66	80.7	159.6	-164.2	-87.3	0	0	0	108.9	M507 F813	M507-Y589 HydrophobicContact CE-CE1 4.02Å; M507-Y589 HydrophobicContact CE-CE2 4.2Å; M507-Y589 WeakPolarHBondContact CE-OH 3.36Å; Y589-F813 HydrophobicContact CD2-CE1 4.35Å; Y589-F813 AromaticContact CD2-CZ 3.77Å; Y589-F813 HydrophobicContact CD2-CZ 3.77Å
590	Y	38.3	Very low	41.1	Very low	101 Å²	101	75.3 Å²	75.3	40%	0.396	38%	0.379	S	S	.	.			trans	-95.7	132.6	179.8	-91.9	-61.1	0	0	0	113.7	A544 H588 H592	A544-Y590 HydrophobicContact CB-CE1 4.15Å; A544-Y590 WeakPolarHBondContact CB-OH 3.37Å; H588-Y590 HydrophobicContact CB-CD2 3.18Å; H588-Y590 HydrophobicContact CB-CE2 3.29Å; H588-Y590 HydrophobicContact CB-CG 4.04Å; H588-Y590 AromaticContact CD2-CE2 3.72Å; H588-Y590 AromaticContact CG-CD2 3.81Å; H588-Y590 AromaticContact CG-CE2 3.33Å; H588-Y590 AromaticContact ND1-CE2 3.63Å; H588-Y590 PolarHBondContact O-N 3.36Å; Y590-H592 PolarHBondContact O-N 2.63Å
591	Y	28.7	Very low	43.5	Very low	51 Å²	51	74.9 Å²	74.9	20%	0.2	37%	0.373	C	S	.	.			trans	-36.5	99.1	145.8	-94.4	-114.8	0	0	0	111.2	L510 L536 A537 I540 V597	L510-Y591 HydrophobicContact CD2-CE1 4.37Å; L536-Y591 WeakPolarHBondContact CD2-OH 3.49Å; A537-Y591 HydrophobicContact CB-CE1 4.42Å; I540-Y591 HydrophobicContact CD1-CD2 4.01Å; I540-Y591 HydrophobicContact CD1-CE2 3.3Å; I540-Y591 HydrophobicContact CG2-CD2 4.41Å; Y591-V597 HydrophobicContact CD1-CG1 4.22Å; Y591-V597 HydrophobicContact CD1-CG2 4.04Å; Y591-V597 HydrophobicContact CD2-CG1 3.92Å; Y591-V597 HydrophobicContact CE1-CG1 3.91Å; Y591-V597 HydrophobicContact CE1-CG2 4.27Å; Y591-V597 HydrophobicContact CE2-CG1 3.54Å; Y591-V597 HydrophobicContact CG-CG1 4.24Å; Y591-V597 HydrophobicContact CG-CG2 4.33Å
592	H	31.1	Very low	46	Very low	118 Å²	118	73.4 Å²	73.4	55%	0.546	37%	0.365	S	S	.	.			trans	-94	117.6	156.1	-80.1	-69.5	0	0	0	107.4	Y590 E594 K595	Y590-H592 PolarHBondContact O-N 2.63Å; H592-E594 PolarHBondContact O-N 3.1Å; H592-K595 HydrophobicContact CB-CB 4.33Å; H592-K595 HydrophobicContact CB-CG 4.48Å; H592-K595 PolarHBondContact O-N 2.99Å
593	P	35.7	Very low	48.6	Very low	127 Å²	127	71.1 Å²	71.1	83%	0.825	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.4	-178.3	20	-30.3	0	0	0	113.4
594	E	40.3	Very low	51.5	Low	193 Å²	193	66.1 Å²	66.1	90%	0.902	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.3	179	-61.8	-172.2	170.3	0	0	114.4	H592	H592-E594 PolarHBondContact O-N 3.1Å
595	K	49.3	Very low	54.5	Low	119 Å²	119	63.8 Å²	63.8	52%	0.517	32%	0.316	S	S	.	.	S	Bend	trans	-120	155.8	-179.9	-69.6	-174.9	179	177.5	0	111.4	H592 V597 L760	H592-K595 HydrophobicContact CB-CB 4.33Å; H592-K595 HydrophobicContact CB-CG 4.48Å; H592-K595 PolarHBondContact O-N 2.99Å; K595-V597 PolarHBondContact O-N 3.4Å; K595-L760 HydrophobicContact CD-CD1 4.49Å
596	S	55.5	Low	57.3	Low	86 Å²	86	58 Å²	58	60%	0.601	29%	0.29	S	S	*	.			trans	-56.8	106.8	172.4	50.1	0	0	0	0	110
597	V	67.9	Low	60	Low	24 Å²	24	54.6 Å²	54.6	15%	0.145	27%	0.272	C	S	.	.			trans	-75.1	132.8	175	178.6	0	0	0	0	108.3	L510 Y591 K595 I599	L510-V597 HydrophobicContact CB-CB 4.08Å; L510-V597 HydrophobicContact CB-CG1 4.25Å; L510-V597 WeakPolarHBondContact CB-O 3.45Å; L510-V597 HydrophobicContact CD2-CB 4.09Å; L510-V597 HydrophobicContact CD2-CG1 4Å; L510-V597 PolarHBondContact N-O 2.97Å; Y591-V597 HydrophobicContact CD1-CG1 4.22Å; Y591-V597 HydrophobicContact CD1-CG2 4.04Å; Y591-V597 HydrophobicContact CD2-CG1 3.92Å; Y591-V597 HydrophobicContact CE1-CG1 3.91Å; Y591-V597 HydrophobicContact CE1-CG2 4.27Å; Y591-V597 HydrophobicContact CE2-CG1 3.54Å; Y591-V597 HydrophobicContact CG-CG1 4.24Å; Y591-V597 HydrophobicContact CG-CG2 4.33Å; K595-V597 PolarHBondContact O-N 3.4Å; V597-I599 HydrophobicContact CG1-CG2 4.3Å
598	E	75.7	Confident	62.9	Low	26 Å²	26	52 Å²	52	12%	0.121	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.6	170.7	-68.5	174	169	0	0	109.3	M507 L508 N509 R840	M507-E598 HydrophobicContact CB-CB 4.32Å; M507-E598 HydrophobicContact CE-CB 4.16Å; L508-E598 CarbonylContact O-C 3.56Å; L508-E598 WeakPolarHBondContact O-CA 3.46Å; N509-E598 HydrophobicContact CB-CG 4.46Å; E598-R840 VanDerWaalsContact CD-NH1 3.27Å; E598-R840 IonicContact OE1-CZ 2.61Å; E598-R840 IonicContact OE1-NH1 3.76Å; E598-R840 PolarHBondContact OE1-NH1 3.02Å; E598-R840 IonicContact OE2-CZ 3.15Å; E598-R840 IonicContact OE2-NH1 3.78Å; E598-R840 PolarHBondContact OE2-NH1 3.22Å; E598-R840 IonicContact OE2-NH2 3.12Å; E598-R840 PolarHBondContact OE2-NH2 2.82Å
599	I	79.7	Confident	65.6	Low	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.8	-177.8	62.1	171.3	0	0	0	109.9	M507 L508 L510 I513 L536 V597 D603 F604 L607	M507-I599 CarbonylContact C-O 3.5Å; M507-I599 WeakPolarHBondContact CA-O 3.35Å; L508-I599 HydrophobicContact CB-CG1 4.43Å; L508-I599 PolarHBondContact N-O 3.49Å; L508-I599 PolarHBondContact O-N 3.12Å; L510-I599 HydrophobicContact CD1-CD1 4.14Å; I513-I599 HydrophobicContact CD1-CD1 3.77Å; I513-I599 HydrophobicContact CD1-CG1 4Å; L536-I599 HydrophobicContact CD2-CG2 4.37Å; V597-I599 HydrophobicContact CG1-CG2 4.3Å; I599-D603 HydrophobicContact CB-CB 3.95Å; I599-D603 HydrophobicContact CG2-CB 4.4Å; I599-F604 HydrophobicContact CD1-CB 4.06Å; I599-F604 HydrophobicContact CD1-CD2 4.24Å; I599-F604 HydrophobicContact CG1-CB 4.5Å; I599-L607 HydrophobicContact CD1-CD2 3.69Å
600	N	77.5	Confident	68	Low	9 Å²	9	50.1 Å²	50.1	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-178.4	176.9	73.7	0.9	0	0	0	111.2	M507 T602 D603 F604 K811	M507-N600 HydrophobicContact CE-CB 4.48Å; M507-N600 HydrophobicContact SD-CB 3.61Å; N600-T602 VanDerWaalsContact C-N 3.31Å; N600-T602 PolarHBondContact O-N 2.99Å; N600-T602 PolarHBondContact OD1-N 2.93Å; N600-T602 VanDerWaalsContact OD1-N 3.15Å; N600-D603 PolarHBondContact O-N 3.03Å; N600-D603 WeakPolarHBondContact OD1-CB 3.39Å; N600-D603 PolarHBondContact OD1-N 3.05Å; N600-D603 PolarHBondContact OD1-OD2 2.78Å; N600-F604 WeakPolarHBondContact O-CB 3.33Å; N600-F604 PolarHBondContact O-N 3.04Å; N600-K811 WeakPolarHBondContact ND2-CE 3.41Å
601	I	82.9	Confident	70.2	Confident	30 Å²	30	45.3 Å²	45.3	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-34	-179.7	-166.4	166.1	0	0	0	113.8	N494 F497 K605	N494-I601 WeakPolarHBondContact OD1-CD1 3.41Å; F497-I601 HydrophobicContact CB-CD1 4.22Å; F497-I601 HydrophobicContact CB-CG1 4.16Å; F497-I601 HydrophobicContact CD1-CB 4.2Å; F497-I601 HydrophobicContact CD1-CD1 3.85Å; F497-I601 HydrophobicContact CD1-CG1 4Å; F497-I601 HydrophobicContact CD2-CB 4Å; F497-I601 HydrophobicContact CD2-CG1 3.92Å; F497-I601 HydrophobicContact CE1-CB 4.11Å; F497-I601 HydrophobicContact CE1-CD1 4.42Å; F497-I601 HydrophobicContact CE1-CG1 4.43Å; F497-I601 VanDerWaalsContact CE2-CA 3.46Å; F497-I601 HydrophobicContact CE2-CB 3.88Å; F497-I601 HydrophobicContact CE2-CG1 4.33Å; F497-I601 HydrophobicContact CG-CB 4.15Å; F497-I601 HydrophobicContact CG-CD1 3.97Å; F497-I601 HydrophobicContact CG-CG1 3.74Å; F497-I601 HydrophobicContact CZ-CB 3.95Å; I601-K605 VanDerWaalsContact O-CG 3.27Å; I601-K605 WeakPolarHBondContact O-CG 3.44Å; I601-K605 PolarHBondContact O-N 2.81Å
602	T	79.6	Confident	72.8	Confident	20 Å²	20	43.3 Å²	43.3	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-49.9	180	-52.6	0	0	0	0	110.9	N600 F604 K605 I606 N1032	N600-T602 VanDerWaalsContact C-N 3.31Å; N600-T602 PolarHBondContact O-N 2.99Å; N600-T602 PolarHBondContact OD1-N 2.93Å; N600-T602 VanDerWaalsContact OD1-N 3.15Å; T602-F604 PolarHBondContact O-N 2.82Å; T602-K605 WeakPolarHBondContact O-CB 3.41Å; T602-K605 PolarHBondContact O-N 3.24Å; T602-K605 VanDerWaalsContact O-N 3.16Å; T602-I606 HydrophobicContact CG2-CD1 4.45Å; T602-I606 WeakPolarHBondContact O-CG1 3.47Å; T602-I606 PolarHBondContact O-N 3.06Å; T602-I606 VanDerWaalsContact O-N 3.14Å; T602-N1032 WeakPolarHBondContact CG2-OD1 3.45Å
603	D	82.4	Confident	75.2	Confident	17 Å²	17	39.9 Å²	39.9	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-35.1	177.7	-62.5	-19.6	0	0	0	110.8	L536 I599 N600 L607 K811	L536-D603 HydrophobicContact CD1-CB 4.15Å; I599-D603 HydrophobicContact CB-CB 3.95Å; I599-D603 HydrophobicContact CG2-CB 4.4Å; N600-D603 PolarHBondContact O-N 3.03Å; N600-D603 WeakPolarHBondContact OD1-CB 3.39Å; N600-D603 PolarHBondContact OD1-N 3.05Å; N600-D603 PolarHBondContact OD1-OD2 2.78Å; D603-L607 VanDerWaalsContact O-CB 3.28Å; D603-L607 WeakPolarHBondContact O-CB 3.34Å; D603-L607 PolarHBondContact O-N 3.43Å; D603-K811 IonicContact OD1-NZ 3.94Å; D603-K811 PolarHBondContact OD1-NZ 3.42Å; D603-K811 IonicContact OD2-NZ 2.82Å; D603-K811 PolarHBondContact OD2-NZ 2.99Å
604	F	88	Confident	77	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-40.8	174	176.6	-99.1	0	0	0	113.1	I496 F497 L500 L508 I513 I599 N600 T602 L607 L608	I496-F604 HydrophobicContact CB-CE1 4.42Å; I496-F604 HydrophobicContact CB-CZ 4.48Å; I496-F604 HydrophobicContact CG2-CE1 4.11Å; I496-F604 HydrophobicContact CG2-CZ 3.68Å; F497-F604 HydrophobicContact CB-CD1 3.92Å; F497-F604 HydrophobicContact CB-CE1 3.85Å; F497-F604 HydrophobicContact CD2-CB 3.87Å; F497-F604 AromaticContact CD2-CD1 3.63Å; F497-F604 HydrophobicContact CD2-CD1 3.63Å; F497-F604 HydrophobicContact CD2-CD2 4.39Å; F497-F604 HydrophobicContact CD2-CE1 4.23Å; F497-F604 AromaticContact CD2-CG 3.7Å; F497-F604 HydrophobicContact CD2-CG 3.7Å; F497-F604 HydrophobicContact CE2-CB 4.17Å; F497-F604 HydrophobicContact CE2-CG 4.39Å; F497-F604 HydrophobicContact CG-CD1 4.27Å; L500-F604 HydrophobicContact CD1-CE2 3.61Å; L500-F604 HydrophobicContact CD1-CZ 3.64Å; L508-F604 HydrophobicContact CD1-CD2 3.73Å; L508-F604 HydrophobicContact CD1-CE2 3.83Å; L508-F604 HydrophobicContact CD1-CG 4.21Å; L508-F604 HydrophobicContact CD1-CZ 4.37Å; I513-F604 HydrophobicContact CD1-CD2 3.87Å; I513-F604 HydrophobicContact CD1-CE2 4.1Å; I513-F604 HydrophobicContact CG1-CE2 4.46Å; I599-F604 HydrophobicContact CD1-CB 4.06Å; I599-F604 HydrophobicContact CD1-CD2 4.24Å; I599-F604 HydrophobicContact CG1-CB 4.5Å; N600-F604 WeakPolarHBondContact O-CB 3.33Å; N600-F604 PolarHBondContact O-N 3.04Å; T602-F604 PolarHBondContact O-N 2.82Å; F604-L607 PolarHBondContact O-N 3.44Å; F604-L608 HydrophobicContact CD1-CD1 4.36Å; F604-L608 HydrophobicContact CD2-CG 4.49Å; F604-L608 HydrophobicContact CE1-CD1 3.49Å; F604-L608 VanDerWaalsContact CE1-CD1 3.49Å; F604-L608 HydrophobicContact CE1-CG 4.03Å; F604-L608 HydrophobicContact CE2-CD1 4.03Å; F604-L608 HydrophobicContact CE2-CD2 4.35Å; F604-L608 HydrophobicContact CE2-CG 4Å; F604-L608 HydrophobicContact CZ-CD1 3.29Å; F604-L608 HydrophobicContact CZ-CD2 4.39Å; F604-L608 HydrophobicContact CZ-CG 3.76Å; F604-L608 PolarHBondContact O-N 3.5Å
605	K	88	Confident	78.2	Confident	17 Å²	17	32.4 Å²	32.4	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-48.2	176.2	-75.9	170.1	179	174.7	0	111.3	H490 L493 N494 I601 T602 L607 L608 D609	H490-K605 PolarHBondContact CE1-NZ 2.83Å; H490-K605 PolarHBondContact NE2-NZ 3.38Å; H490-K605 VanDerWaalsContact NE2-NZ 3.15Å; L493-K605 HydrophobicContact CB-CG 4.09Å; L493-K605 HydrophobicContact CD1-CB 4.39Å; L493-K605 HydrophobicContact CD1-CG 4.1Å; N494-K605 WeakPolarHBondContact OD1-CE 3.33Å; N494-K605 PolarHBondContact OD1-NZ 3.38Å; I601-K605 VanDerWaalsContact O-CG 3.27Å; I601-K605 WeakPolarHBondContact O-CG 3.44Å; I601-K605 PolarHBondContact O-N 2.81Å; T602-K605 WeakPolarHBondContact O-CB 3.41Å; T602-K605 PolarHBondContact O-N 3.24Å; T602-K605 VanDerWaalsContact O-N 3.16Å; K605-L607 VanDerWaalsContact C-N 3.3Å; K605-L607 PolarHBondContact O-N 2.99Å; K605-L608 PolarHBondContact O-N 3.41Å; K605-D609 WeakPolarHBondContact O-CB 3.39Å; K605-D609 PolarHBondContact O-N 2.88Å
606	I	83.5	Confident	78.7	Confident	36 Å²	36	34.5 Å²	34.5	19%	0.185	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-46.8	176.7	-63.6	167.9	0	0	0	109.9	L536 T602 L608 D609 D610	L536-I606 HydrophobicContact CD1-CG2 4.41Å; T602-I606 HydrophobicContact CG2-CD1 4.45Å; T602-I606 WeakPolarHBondContact O-CG1 3.47Å; T602-I606 PolarHBondContact O-N 3.06Å; T602-I606 VanDerWaalsContact O-N 3.14Å; I606-L608 PolarHBondContact O-N 3.17Å; I606-D609 PolarHBondContact O-N 3.2Å; I606-D610 PolarHBondContact O-N 3.33Å
607	L	87.1	Confident	78.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-50.2	178.8	-176.3	68.5	0	0	0	112.3	L510 I513 A532 L536 I599 D603 F604 K605 D609 D610 I611	L510-L607 HydrophobicContact CD1-CD2 3.7Å; I513-L607 HydrophobicContact CG2-CD2 4.4Å; A532-L607 HydrophobicContact CB-CD1 3.93Å; L536-L607 HydrophobicContact CD2-CB 4.25Å; L536-L607 HydrophobicContact CD2-CD1 4.14Å; I599-L607 HydrophobicContact CD1-CD2 3.69Å; D603-L607 VanDerWaalsContact O-CB 3.28Å; D603-L607 WeakPolarHBondContact O-CB 3.34Å; D603-L607 PolarHBondContact O-N 3.43Å; F604-L607 PolarHBondContact O-N 3.44Å; K605-L607 VanDerWaalsContact C-N 3.3Å; K605-L607 PolarHBondContact O-N 2.99Å; L607-D609 VanDerWaalsContact C-N 3.33Å; L607-D610 PolarHBondContact O-N 2.9Å; L607-I611 HydrophobicContact CD1-CD1 4.2Å; L607-I611 HydrophobicContact CG-CD1 3.85Å; L607-I611 VanDerWaalsContact O-CD1 3.27Å; L607-I611 WeakPolarHBondContact O-CD1 3.39Å; L607-I611 WeakPolarHBondContact O-CG1 3.36Å; L607-I611 PolarHBondContact O-N 3.37Å; L607-I611 VanDerWaalsContact O-N 3.13Å
608	L	88.2	Confident	78.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-35.9	-179.7	-76.5	-161.3	0	0	0	112.6	L493 I496 I517 F604 K605 I606 I611 F612	L493-L608 HydrophobicContact CD2-CB 3.86Å; L493-L608 HydrophobicContact CD2-CD1 3.73Å; L493-L608 HydrophobicContact CD2-CG 4.41Å; I496-L608 HydrophobicContact CD1-CD1 4.38Å; I496-L608 HydrophobicContact CG2-CD1 4.14Å; I517-L608 HydrophobicContact CD1-CD2 4.47Å; F604-L608 HydrophobicContact CD1-CD1 4.36Å; F604-L608 HydrophobicContact CD2-CG 4.49Å; F604-L608 HydrophobicContact CE1-CD1 3.49Å; F604-L608 VanDerWaalsContact CE1-CD1 3.49Å; F604-L608 HydrophobicContact CE1-CG 4.03Å; F604-L608 HydrophobicContact CE2-CD1 4.03Å; F604-L608 HydrophobicContact CE2-CD2 4.35Å; F604-L608 HydrophobicContact CE2-CG 4Å; F604-L608 HydrophobicContact CZ-CD1 3.29Å; F604-L608 HydrophobicContact CZ-CD2 4.39Å; F604-L608 HydrophobicContact CZ-CG 3.76Å; F604-L608 PolarHBondContact O-N 3.5Å; K605-L608 PolarHBondContact O-N 3.41Å; I606-L608 PolarHBondContact O-N 3.17Å; L608-I611 HydrophobicContact CD2-CD1 4.16Å; L608-I611 PolarHBondContact O-N 2.79Å; L608-F612 HydrophobicContact CB-CD2 4.4Å; L608-F612 HydrophobicContact CD2-CD2 4.44Å; L608-F612 HydrophobicContact CD2-CE2 3.98Å; L608-F612 WeakPolarHBondContact O-CD2 3.34Å; L608-F612 PolarHBondContact O-N 3.42Å
609	D	84.7	Confident	77.1	Confident	45 Å²	45	48 Å²	48	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-46.4	175.7	-83.8	6.8	0	0	0	111.3	K489 K605 I606 L607 I611 W613	K489-D609 VanDerWaalsContact CE-CG 3.41Å; K489-D609 WeakPolarHBondContact CE-OD1 3.36Å; K489-D609 WeakPolarHBondContact CE-OD2 3.47Å; K489-D609 IonicContact NZ-OD1 3.11Å; K489-D609 PolarHBondContact NZ-OD1 3.25Å; K489-D609 IonicContact NZ-OD2 2.83Å; K489-D609 PolarHBondContact NZ-OD2 2.73Å; K605-D609 WeakPolarHBondContact O-CB 3.39Å; K605-D609 PolarHBondContact O-N 2.88Å; I606-D609 PolarHBondContact O-N 3.2Å; L607-D609 VanDerWaalsContact C-N 3.33Å; D609-I611 VanDerWaalsContact C-N 3.25Å; D609-I611 PolarHBondContact O-N 2.88Å; D609-W613 CarbonylContact O-C 3.49Å; D609-W613 WeakPolarHBondContact O-CA 3.04Å; D609-W613 PolarHBondContact O-N 2.82Å
610	D	84.1	Confident	76	Confident	33 Å²	33	48.4 Å²	48.4	18%	0.176	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-25.9	177.8	-72.5	-22.6	0	0	0	112.8	A532 I606 L607	A532-D610 HydrophobicContact CB-CB 3.6Å; I606-D610 PolarHBondContact O-N 3.33Å; L607-D610 PolarHBondContact O-N 2.9Å
611	I	84	Confident	74.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-77.3	-50.6	177.3	-69.3	159.7	0	0	0	111.9	I517 Y525 H528 L529 A532 L607 L608 D609	I517-I611 HydrophobicContact CD1-CD1 3.7Å; Y525-I611 HydrophobicContact CD1-CG2 4.02Å; Y525-I611 HydrophobicContact CG-CG2 4.29Å; H528-I611 HydrophobicContact CB-CG2 4.46Å; L529-I611 HydrophobicContact CD1-CD1 3.96Å; A532-I611 HydrophobicContact CB-CG1 3.72Å; L607-I611 HydrophobicContact CD1-CD1 4.2Å; L607-I611 HydrophobicContact CG-CD1 3.85Å; L607-I611 VanDerWaalsContact O-CD1 3.27Å; L607-I611 WeakPolarHBondContact O-CD1 3.39Å; L607-I611 WeakPolarHBondContact O-CG1 3.36Å; L607-I611 PolarHBondContact O-N 3.37Å; L607-I611 VanDerWaalsContact O-N 3.13Å; L608-I611 HydrophobicContact CD2-CD1 4.16Å; L608-I611 PolarHBondContact O-N 2.79Å; D609-I611 VanDerWaalsContact C-N 3.25Å; D609-I611 PolarHBondContact O-N 2.88Å
612	F	84.3	Confident	73.2	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-87.2	-25.3	-173.9	-70.5	-72	0	0	0	112.7	Y525 L608 C630 L631 F634	Y525-F612 HydrophobicContact CD1-CD1 4.38Å; Y525-F612 HydrophobicContact CD1-CE1 4.43Å; Y525-F612 AromaticContact CE1-CD1 3.77Å; Y525-F612 HydrophobicContact CE1-CD1 3.77Å; Y525-F612 AromaticContact CE1-CE1 3.93Å; Y525-F612 HydrophobicContact CE1-CE1 3.93Å; Y525-F612 HydrophobicContact CE2-CE1 4.29Å; Y525-F612 AromaticContact CZ-CE1 3.87Å; L608-F612 HydrophobicContact CB-CD2 4.4Å; L608-F612 HydrophobicContact CD2-CD2 4.44Å; L608-F612 HydrophobicContact CD2-CE2 3.98Å; L608-F612 WeakPolarHBondContact O-CD2 3.34Å; L608-F612 PolarHBondContact O-N 3.42Å; F612-C630 HydrophobicContact CD1-CB 4.1Å; F612-C630 HydrophobicContact CE1-CB 4.41Å; F612-L631 HydrophobicContact CD2-CD2 3.6Å; F612-L631 HydrophobicContact CE2-CD2 3.79Å; F612-L631 HydrophobicContact CG-CD2 4.24Å; F612-F634 HydrophobicContact CE2-CD1 4.23Å; F612-F634 HydrophobicContact CE2-CG 4.47Å; F612-F634 HydrophobicContact CZ-CB 3.96Å; F612-F634 HydrophobicContact CZ-CD1 4.08Å; F612-F634 HydrophobicContact CZ-CD2 4.29Å; F612-F634 AromaticContact CZ-CG 3.85Å; F612-F634 HydrophobicContact CZ-CG 3.85Å
613	W	80.6	Confident	72	Confident	45 Å²	45	56.1 Å²	56.1	17%	0.17	29%	0.293	C	S	.	.	S	Bend	trans	-130.3	68.2	177.1	-82.8	-84.4	0	0	0	112.7	D609 K615 D624 E625 D627 F628 L631	D609-W613 CarbonylContact O-C 3.49Å; D609-W613 WeakPolarHBondContact O-CA 3.04Å; D609-W613 PolarHBondContact O-N 2.82Å; W613-K615 PolarHBondContact O-N 3.35Å; W613-D624 PolarHBondContact NE1-O 3.11Å; W613-E625 VanDerWaalsContact NE1-CA 3.34Å; W613-D627 WeakPolarHBondContact CH2-O 3.4Å; W613-D627 WeakPolarHBondContact CZ2-O 3.22Å; W613-F628 AromaticContact CH2-CD1 3.76Å; W613-F628 HydrophobicContact CH2-CD1 3.76Å; W613-F628 HydrophobicContact CH2-CE1 4.32Å; W613-F628 HydrophobicContact CZ2-CD1 4.28Å; W613-F628 HydrophobicContact CZ3-CD1 4.48Å; W613-L631 HydrophobicContact CZ3-CD1 4.13Å; W613-L631 HydrophobicContact CZ3-CG 4.16Å
614	P	72.7	Confident	71	Confident	30 Å²	30	61.1 Å²	61.1	20%	0.195	32%	0.319	C	S	.	.			trans	-69.9	129.6	178.4	28.3	-34.2	0	0	0	112.1	N616 N617 L620	P614-N616 VanDerWaalsContact C-N 3.26Å; P614-N616 PolarHBondContact O-N 3.03Å; P614-N616 VanDerWaalsContact O-N 3.13Å; P614-N617 HydrophobicContact CB-CB 4.33Å; P614-N617 HydrophobicContact CG-CB 3.99Å; P614-L620 HydrophobicContact CG-CB 4.05Å; P614-L620 HydrophobicContact CG-CD1 3.72Å
615	K	65.6	Low	70	Confident	134 Å²	134	66.9 Å²	66.9	58%	0.583	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.8	-175.4	-64.9	-179.6	-179.6	174	0	115.4	W613 T1038	W613-K615 PolarHBondContact O-N 3.35Å; K615-T1038 PolarHBondContact NZ-O 3.45Å
616	N	60.5	Low	68.9	Low	163 Å²	163	68.6 Å²	68.6	87%	0.872	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	22.8	-165.3	-73.7	-20.3	0	0	0	115.4	P614	P614-N616 VanDerWaalsContact C-N 3.26Å; P614-N616 PolarHBondContact O-N 3.03Å; P614-N616 VanDerWaalsContact O-N 3.13Å
617	N	56.7	Low	68.5	Low	52 Å²	52	69.6 Å²	69.6	28%	0.278	36%	0.359	S	S	.	.			trans	-119.5	123.2	-171.9	-148.5	-9.9	0	0	0	115.1	H528 P614 Y619 S621	H528-N617 PolarHBondContact NE2-ND2 2.98Å; P614-N617 HydrophobicContact CB-CB 4.33Å; P614-N617 HydrophobicContact CG-CB 3.99Å; N617-Y619 VanDerWaalsContact C-N 3.25Å; N617-Y619 PolarHBondContact O-N 3.46Å; N617-S621 VanDerWaalsContact O-CB 3.27Å; N617-S621 WeakPolarHBondContact O-CB 3.41Å; N617-S621 PolarHBondContact O-N 3.25Å; N617-S621 PolarHBondContact O-OG 3.09Å
618	Q	54.3	Low	68.2	Low	169 Å²	169	70.3 Å²	70.3	79%	0.79	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	-178.5	-67.5	-178.2	-3.3	0	0	113.9	S621	Q618-S621 WeakPolarHBondContact CA-OG 3.46Å; Q618-S621 PolarHBondContact O-OG 3.06Å; Q618-S621 VanDerWaalsContact O-OG 3.07Å
619	Y	53.9	Low	67.8	Low	199 Å²	199	71.9 Å²	71.9	78%	0.78	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-30	-175	-64.5	-79	0	0	0	113.4	N617	N617-Y619 VanDerWaalsContact C-N 3.25Å; N617-Y619 PolarHBondContact O-N 3.46Å
620	L	56.6	Low	67.8	Low	8 Å²	8	70 Å²	70	4%	0.042	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-9.6	176.3	-75.8	176.1	0	0	0	112.9	F524 H528 P614 G622 H623	F524-L620 HydrophobicContact CE1-CD2 4.04Å; F524-L620 HydrophobicContact CZ-CD2 4.42Å; H528-L620 WeakPolarHBondContact CE1-CD1 3.4Å; H528-L620 WeakPolarHBondContact NE2-CD1 3.34Å; P614-L620 HydrophobicContact CG-CB 4.05Å; P614-L620 HydrophobicContact CG-CD1 3.72Å; L620-G622 PolarHBondContact O-N 2.75Å; L620-H623 WeakPolarHBondContact CD2-CD2 3.32Å; L620-H623 WeakPolarHBondContact O-CB 3.16Å; L620-H623 PolarHBondContact O-N 3.05Å
621	S	52.2	Low	67.9	Low	92 Å²	92	68.5 Å²	68.5	64%	0.643	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10	175.4	59.7	0	0	0	0	114.1	N617 Q618	N617-S621 VanDerWaalsContact O-CB 3.27Å; N617-S621 WeakPolarHBondContact O-CB 3.41Å; N617-S621 PolarHBondContact O-N 3.25Å; N617-S621 PolarHBondContact O-OG 3.09Å; Q618-S621 WeakPolarHBondContact CA-OG 3.46Å; Q618-S621 PolarHBondContact O-OG 3.06Å; Q618-S621 VanDerWaalsContact O-OG 3.07Å
622	G	49.9	Very low	68.1	Low	69 Å²	69	73.2 Å²	73.2	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.7	171.9	0	0	0	0	0	114.6	L620 D624	L620-G622 PolarHBondContact O-N 2.75Å; G622-D624 PolarHBondContact O-N 3.14Å
623	H	54.7	Low	68.4	Low	61 Å²	61	77.9 Å²	77.9	28%	0.282	40%	0.397	S	S	.	.	S	Bend	trans	-72	121.5	168.1	-81.6	-82.4	0	0	0	108.4	L620 E625 C630	L620-H623 WeakPolarHBondContact CD2-CD2 3.32Å; L620-H623 WeakPolarHBondContact O-CB 3.16Å; L620-H623 PolarHBondContact O-N 3.05Å; H623-E625 PolarHBondContact O-N 3.45Å; H623-C630 PolarHBondContact CE1-SG 3.42Å
624	D	60.4	Low	68.8	Low	121 Å²	121	75.8 Å²	75.8	65%	0.647	39%	0.389	S	S	*	.			trans	-52.6	130.6	168.7	-72.4	-33.3	0	0	0	108.2	W613 G622 Y626 D627	W613-D624 PolarHBondContact NE1-O 3.11Å; G622-D624 PolarHBondContact O-N 3.14Å; D624-Y626 PolarHBondContact O-N 2.87Å; D624-D627 HydrophobicContact CB-CB 4.15Å; D624-D627 PolarHBondContact O-N 2.94Å
625	E	67.2	Low	69.7	Low	121 Å²	121	75 Å²	75	57%	0.565	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-22.1	178.7	-168.4	-175.1	-174.9	0	0	112.9	W613 H623	W613-E625 VanDerWaalsContact NE1-CA 3.34Å; H623-E625 PolarHBondContact O-N 3.45Å
626	Y	66.4	Low	71	Confident	54 Å²	54	72.6 Å²	72.6	21%	0.212	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	4.9	-175.5	-48	-75.2	0	0	0	113.7	F481 R482 D624 F628	F481-Y626 HydrophobicContact CD1-CD1 4.39Å; F481-Y626 HydrophobicContact CD1-CD2 4.35Å; F481-Y626 HydrophobicContact CD1-CG 4.16Å; F481-Y626 VanDerWaalsContact CE1-CB 3.46Å; F481-Y626 AromaticContact CE1-CD1 3.98Å; F481-Y626 HydrophobicContact CE1-CD1 3.98Å; F481-Y626 AromaticContact CE1-CD2 3.64Å; F481-Y626 HydrophobicContact CE1-CD2 3.64Å; F481-Y626 HydrophobicContact CE1-CE2 4.46Å; F481-Y626 AromaticContact CE1-CG 3.38Å; F481-Y626 HydrophobicContact CE1-CG 3.38Å; F481-Y626 HydrophobicContact CZ-CG 4.09Å; R482-Y626 HydrophobicContact CB-CE1 4.23Å; R482-Y626 WeakPolarHBondContact CD-OH 3.39Å; R482-Y626 HydrophobicContact CG-CE1 3.74Å; R482-Y626 VanDerWaalsContact CG-OH 3.31Å; R482-Y626 WeakPolarHBondContact CG-OH 3.42Å; R482-Y626 PolarHBondContact NE-OH 2.82Å; R482-Y626 VanDerWaalsContact NE-OH 3.12Å; D624-Y626 PolarHBondContact O-N 2.87Å; Y626-F628 PolarHBondContact O-N 2.86Å
627	D	73.9	Confident	72.5	Confident	57 Å²	57	66.4 Å²	66.4	31%	0.305	34%	0.342	S	S	.	.			trans	-82.7	90.9	173	179	16.3	0	0	0	111.1	W613 D624 S629	W613-D627 WeakPolarHBondContact CH2-O 3.4Å; W613-D627 WeakPolarHBondContact CZ2-O 3.22Å; D624-D627 HydrophobicContact CB-CB 4.15Å; D624-D627 PolarHBondContact O-N 2.94Å; D627-S629 VanDerWaalsContact CG-OG 3.3Å; D627-S629 PolarHBondContact O-N 3.07Å; D627-S629 WeakPolarHBondContact OD1-CB 2.97Å; D627-S629 PolarHBondContact OD1-N 3.07Å; D627-S629 PolarHBondContact OD1-OG 3.2Å; D627-S629 PolarHBondContact OD2-OG 3.25Å; D627-S629 VanDerWaalsContact OD2-OG 3.13Å
628	F	80.9	Confident	74.2	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.066	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.2	177.4	-50.3	-46.7	0	0	0	114.4	S485 E488 K489 L492 W613 Y626 C630 L631 E632	S485-F628 WeakPolarHBondContact O-CE2 3.33Å; S485-F628 WeakPolarHBondContact O-CZ 3.37Å; E488-F628 HydrophobicContact CB-CD2 4.4Å; E488-F628 HydrophobicContact CB-CE2 4.24Å; E488-F628 HydrophobicContact CG-CD2 4.06Å; E488-F628 HydrophobicContact CG-CE2 4.39Å; K489-F628 HydrophobicContact CB-CD1 4.23Å; K489-F628 HydrophobicContact CB-CE1 3.77Å; K489-F628 HydrophobicContact CB-CE2 4.37Å; K489-F628 HydrophobicContact CB-CZ 3.83Å; K489-F628 HydrophobicContact CD-CE1 4.01Å; K489-F628 HydrophobicContact CG-CD1 4.42Å; K489-F628 HydrophobicContact CG-CE1 4.08Å; L492-F628 HydrophobicContact CD2-CB 4.16Å; W613-F628 AromaticContact CH2-CD1 3.76Å; W613-F628 HydrophobicContact CH2-CD1 3.76Å; W613-F628 HydrophobicContact CH2-CE1 4.32Å; W613-F628 HydrophobicContact CZ2-CD1 4.28Å; W613-F628 HydrophobicContact CZ3-CD1 4.48Å; Y626-F628 PolarHBondContact O-N 2.86Å; F628-C630 PolarHBondContact O-N 2.65Å; F628-C630 VanDerWaalsContact O-N 3.14Å; F628-L631 PolarHBondContact O-N 2.97Å; F628-E632 PolarHBondContact O-N 3.37Å; F628-E632 VanDerWaalsContact O-N 3.11Å
629	S	81	Confident	75.8	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-30	179.9	73.2	0	0	0	0	112.4	D627 E632 K633	D627-S629 VanDerWaalsContact CG-OG 3.3Å; D627-S629 PolarHBondContact O-N 3.07Å; D627-S629 WeakPolarHBondContact OD1-CB 2.97Å; D627-S629 PolarHBondContact OD1-N 3.07Å; D627-S629 PolarHBondContact OD1-OG 3.2Å; D627-S629 PolarHBondContact OD2-OG 3.25Å; D627-S629 VanDerWaalsContact OD2-OG 3.13Å; S629-E632 PolarHBondContact O-N 3.32Å; S629-K633 WeakPolarHBondContact O-CB 3.46Å; S629-K633 WeakPolarHBondContact O-CD 3.37Å; S629-K633 WeakPolarHBondContact O-CG 3.4Å; S629-K633 PolarHBondContact O-N 3.11Å
630	C	83.2	Confident	77.5	Confident	7 Å²	7	58.9 Å²	58.9	5%	0.047	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-43.2	176	-57.9	0	0	0	0	111.9	F612 H623 F628 K633 F634	F612-C630 HydrophobicContact CD1-CB 4.1Å; F612-C630 HydrophobicContact CE1-CB 4.41Å; H623-C630 PolarHBondContact CE1-SG 3.42Å; F628-C630 PolarHBondContact O-N 2.65Å; F628-C630 VanDerWaalsContact O-N 3.14Å; C630-K633 PolarHBondContact O-N 3.11Å; C630-F634 VanDerWaalsContact O-CB 3.3Å; C630-F634 WeakPolarHBondContact O-CB 3.48Å; C630-F634 PolarHBondContact O-N 2.74Å
631	L	86.8	Confident	79	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-68.3	-36.7	176.3	-70.1	177.7	0	0	0	111.6	K489 L492 L493 I496 F612 W613 F628 L635	K489-L631 HydrophobicContact CG-CD1 4.32Å; L492-L631 HydrophobicContact CD2-CB 3.3Å; L492-L631 HydrophobicContact CD2-CD1 4.09Å; L492-L631 HydrophobicContact CD2-CG 4.35Å; L492-L631 HydrophobicContact CG-CB 3.9Å; L492-L631 HydrophobicContact CG-CD1 4.48Å; L493-L631 HydrophobicContact CD2-CD1 4.34Å; L493-L631 HydrophobicContact CD2-CD2 4.22Å; L493-L631 HydrophobicContact CG-CD1 4.47Å; I496-L631 HydrophobicContact CD1-CB 4.1Å; I496-L631 HydrophobicContact CD1-CD2 3.91Å; F612-L631 HydrophobicContact CD2-CD2 3.6Å; F612-L631 HydrophobicContact CE2-CD2 3.79Å; F612-L631 HydrophobicContact CG-CD2 4.24Å; W613-L631 HydrophobicContact CZ3-CD1 4.13Å; W613-L631 HydrophobicContact CZ3-CG 4.16Å; F628-L631 PolarHBondContact O-N 2.97Å; L631-L635 VanDerWaalsContact O-CB 3.31Å; L631-L635 WeakPolarHBondContact O-CB 3.42Å; L631-L635 PolarHBondContact O-N 3.11Å
632	E	89.3	Confident	80.6	Confident	98 Å²	98	61.8 Å²	61.8	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-44.2	175.2	-67.4	-169.4	159.5	0	0	112.4	L492 F628 S629 F634 L635 N636	L492-E632 HydrophobicContact CD1-CG 4.4Å; L492-E632 HydrophobicContact CD2-CG 3.82Å; F628-E632 PolarHBondContact O-N 3.37Å; F628-E632 VanDerWaalsContact O-N 3.11Å; S629-E632 PolarHBondContact O-N 3.32Å; E632-F634 VanDerWaalsContact C-N 3.32Å; E632-F634 PolarHBondContact O-N 3.04Å; E632-L635 PolarHBondContact O-N 3.31Å; E632-N636 VanDerWaalsContact O-CG 3.31Å; E632-N636 PolarHBondContact O-N 3.29Å; E632-N636 PolarHBondContact O-ND2 3.46Å
633	K	88.9	Confident	82.1	Confident	107 Å²	107	64.5 Å²	64.5	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-44.1	174.1	-73	166.6	-175	165.5	0	110.7	Y520 S629 C630 N636 Y637	Y520-K633 VanDerWaalsContact OH-CB 3.27Å; Y520-K633 WeakPolarHBondContact OH-CB 3.39Å; S629-K633 WeakPolarHBondContact O-CB 3.46Å; S629-K633 WeakPolarHBondContact O-CD 3.37Å; S629-K633 WeakPolarHBondContact O-CG 3.4Å; S629-K633 PolarHBondContact O-N 3.11Å; C630-K633 PolarHBondContact O-N 3.11Å; K633-N636 PolarHBondContact O-N 2.97Å; K633-Y637 WeakPolarHBondContact O-CB 3.49Å; K633-Y637 PolarHBondContact O-N 3.46Å
634	F	90.7	Very high	83.3	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-43.2	175.4	-175.5	-117.6	0	0	0	111.9	I496 I517 Y520 F612 C630 E632 N636 Y637 L638	I496-F634 HydrophobicContact CD1-CD1 4.48Å; I496-F634 HydrophobicContact CG2-CD1 4.26Å; I496-F634 HydrophobicContact CG2-CE1 4.12Å; I517-F634 HydrophobicContact CG1-CE2 4.35Å; I517-F634 HydrophobicContact CG1-CZ 4.07Å; Y520-F634 AromaticContact CD1-CD2 3.93Å; Y520-F634 HydrophobicContact CD1-CD2 3.93Å; Y520-F634 AromaticContact CD2-CD2 3.93Å; Y520-F634 HydrophobicContact CD2-CD2 3.93Å; Y520-F634 HydrophobicContact CE1-CB 4.46Å; Y520-F634 HydrophobicContact CE1-CD2 4.22Å; Y520-F634 HydrophobicContact CE2-CD2 4.19Å; Y520-F634 AromaticContact CG-CD2 3.8Å; Y520-F634 HydrophobicContact CG-CD2 3.8Å; Y520-F634 HydrophobicContact CG-CE2 4.22Å; F612-F634 HydrophobicContact CE2-CD1 4.23Å; F612-F634 HydrophobicContact CE2-CG 4.47Å; F612-F634 HydrophobicContact CZ-CB 3.96Å; F612-F634 HydrophobicContact CZ-CD1 4.08Å; F612-F634 HydrophobicContact CZ-CD2 4.29Å; F612-F634 AromaticContact CZ-CG 3.85Å; F612-F634 HydrophobicContact CZ-CG 3.85Å; C630-F634 VanDerWaalsContact O-CB 3.3Å; C630-F634 WeakPolarHBondContact O-CB 3.48Å; C630-F634 PolarHBondContact O-N 2.74Å; E632-F634 VanDerWaalsContact C-N 3.32Å; E632-F634 PolarHBondContact O-N 3.04Å; F634-N636 VanDerWaalsContact C-N 3.32Å; F634-N636 PolarHBondContact O-N 3.2Å; F634-Y637 HydrophobicContact CD2-CD1 4.17Å; F634-Y637 HydrophobicContact CE2-CD1 4.18Å; F634-Y637 HydrophobicContact CE2-CE1 4.46Å; F634-Y637 WeakPolarHBondContact O-CB 3.5Å; F634-Y637 PolarHBondContact O-N 3.29Å; F634-L638 HydrophobicContact CD1-CD1 3.91Å; F634-L638 HydrophobicContact CD1-CG 4.37Å; F634-L638 HydrophobicContact CE1-CD1 3.51Å; F634-L638 HydrophobicContact CE1-CD2 4.48Å; F634-L638 HydrophobicContact CE1-CG 4.07Å; F634-L638 HydrophobicContact CE2-CD2 4.2Å; F634-L638 HydrophobicContact CE2-CG 4.2Å; F634-L638 HydrophobicContact CZ-CD1 3.85Å; F634-L638 HydrophobicContact CZ-CD2 3.96Å; F634-L638 HydrophobicContact CZ-CG 3.97Å; F634-L638 WeakPolarHBondContact O-CB 3.32Å; F634-L638 VanDerWaalsContact O-CG 3.32Å; F634-L638 WeakPolarHBondContact O-CG 3.38Å; F634-L638 PolarHBondContact O-N 3.07Å
635	L	91.2	Very high	84.6	Confident	12 Å²	12	62 Å²	62	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-41.6	174.6	178.5	60.7	0	0	0	112	L492 K495 I496 T499 L631 E632 L638 K639	L492-L635 HydrophobicContact CD1-CD2 3.75Å; K495-L635 HydrophobicContact CB-CD2 4.45Å; I496-L635 HydrophobicContact CG1-CB 4.02Å; I496-L635 HydrophobicContact CG1-CD1 3.99Å; I496-L635 HydrophobicContact CG1-CG 4.43Å; T499-L635 HydrophobicContact CG2-CD1 4.22Å; T499-L635 WeakPolarHBondContact OG1-CD1 3.4Å; L631-L635 VanDerWaalsContact O-CB 3.31Å; L631-L635 WeakPolarHBondContact O-CB 3.42Å; L631-L635 PolarHBondContact O-N 3.11Å; E632-L635 PolarHBondContact O-N 3.31Å; L635-L638 PolarHBondContact O-N 3.29Å; L635-K639 HydrophobicContact CG-CD 4.47Å; L635-K639 WeakPolarHBondContact O-CG 3.19Å; L635-K639 PolarHBondContact O-N 2.83Å
636	N	91.6	Very high	85.6	Confident	85 Å²	85	62.7 Å²	62.7	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-44.2	177.3	-71.3	-26.3	0	0	0	111.6	E632 K633 F634 L638 K639 E640	E632-N636 VanDerWaalsContact O-CG 3.31Å; E632-N636 PolarHBondContact O-N 3.29Å; E632-N636 PolarHBondContact O-ND2 3.46Å; K633-N636 PolarHBondContact O-N 2.97Å; F634-N636 VanDerWaalsContact C-N 3.32Å; F634-N636 PolarHBondContact O-N 3.2Å; N636-L638 VanDerWaalsContact C-N 3.31Å; N636-L638 PolarHBondContact O-N 2.84Å; N636-K639 PolarHBondContact O-N 2.61Å; N636-E640 WeakPolarHBondContact O-CG 3.36Å; N636-E640 PolarHBondContact O-N 2.92Å
637	Y	92.9	Very high	86.6	Confident	32 Å²	32	64.3 Å²	64.3	13%	0.125	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-46.7	171.6	166	-95.9	0	0	0	111.8	F516 N519 Y520 K633 F634 K639 E640 K641	F516-Y637 HydrophobicContact CD1-CE1 4.39Å; F516-Y637 PolarHBondContact O-OH 2.96Å; N519-Y637 VanDerWaalsContact C-OH 3.25Å; N519-Y637 VanDerWaalsContact CB-OH 3.32Å; N519-Y637 WeakPolarHBondContact CB-OH 3.07Å; N519-Y637 PolarHBondContact O-OH 2.76Å; Y520-Y637 AromaticContact CD2-CD1 3.57Å; Y520-Y637 HydrophobicContact CD2-CD1 3.57Å; Y520-Y637 AromaticContact CD2-CD2 3.73Å; Y520-Y637 HydrophobicContact CD2-CD2 3.73Å; Y520-Y637 HydrophobicContact CD2-CE1 4.03Å; Y520-Y637 HydrophobicContact CD2-CE2 4.12Å; Y520-Y637 AromaticContact CD2-CG 3.41Å; Y520-Y637 HydrophobicContact CD2-CG 3.41Å; Y520-Y637 VanDerWaalsContact CD2-CG 3.41Å; Y520-Y637 HydrophobicContact CE2-CD1 4.3Å; Y520-Y637 HydrophobicContact CE2-CD2 4.28Å; Y520-Y637 AromaticContact CE2-CG 3.85Å; Y520-Y637 HydrophobicContact CE2-CG 3.85Å; Y520-Y637 HydrophobicContact CG-CD1 4.34Å; Y520-Y637 HydrophobicContact CG-CE1 4.48Å; K633-Y637 WeakPolarHBondContact O-CB 3.49Å; K633-Y637 PolarHBondContact O-N 3.46Å; F634-Y637 HydrophobicContact CD2-CD1 4.17Å; F634-Y637 HydrophobicContact CE2-CD1 4.18Å; F634-Y637 HydrophobicContact CE2-CE1 4.46Å; F634-Y637 WeakPolarHBondContact O-CB 3.5Å; F634-Y637 PolarHBondContact O-N 3.29Å; Y637-K639 PolarHBondContact O-N 2.89Å; Y637-E640 PolarHBondContact O-N 3.27Å; Y637-K641 HydrophobicContact CD1-CG 4.45Å; Y637-K641 HydrophobicContact CD2-CG 4.14Å; Y637-K641 HydrophobicContact CE1-CG 4.07Å; Y637-K641 HydrophobicContact CE2-CD 4.26Å; Y637-K641 VanDerWaalsContact CE2-CE 3.42Å; Y637-K641 HydrophobicContact CE2-CG 3.78Å; Y637-K641 HydrophobicContact CG-CG 4.48Å; Y637-K641 WeakPolarHBondContact O-CG 3.16Å; Y637-K641 PolarHBondContact O-N 3.17Å
638	L	91.6	Very high	87.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-43.9	177.5	-73.6	179	0	0	0	111.4	I496 L500 F516 F634 L635 N636 E640 K641 L642	I496-L638 HydrophobicContact CG2-CD1 3.74Å; L500-L638 HydrophobicContact CD1-CD1 4.2Å; L500-L638 HydrophobicContact CD2-CD1 3.81Å; L500-L638 HydrophobicContact CD2-CD2 3.75Å; L500-L638 HydrophobicContact CD2-CG 4.36Å; L500-L638 HydrophobicContact CG-CD1 3.93Å; F516-L638 HydrophobicContact CB-CD2 3.93Å; F516-L638 HydrophobicContact CD1-CD2 3.86Å; F516-L638 HydrophobicContact CD2-CD2 4.21Å; F516-L638 HydrophobicContact CE1-CD2 4.46Å; F516-L638 HydrophobicContact CG-CD2 3.74Å; F634-L638 HydrophobicContact CD1-CD1 3.91Å; F634-L638 HydrophobicContact CD1-CG 4.37Å; F634-L638 HydrophobicContact CE1-CD1 3.51Å; F634-L638 HydrophobicContact CE1-CD2 4.48Å; F634-L638 HydrophobicContact CE1-CG 4.07Å; F634-L638 HydrophobicContact CE2-CD2 4.2Å; F634-L638 HydrophobicContact CE2-CG 4.2Å; F634-L638 HydrophobicContact CZ-CD1 3.85Å; F634-L638 HydrophobicContact CZ-CD2 3.96Å; F634-L638 HydrophobicContact CZ-CG 3.97Å; F634-L638 WeakPolarHBondContact O-CB 3.32Å; F634-L638 VanDerWaalsContact O-CG 3.32Å; F634-L638 WeakPolarHBondContact O-CG 3.38Å; F634-L638 PolarHBondContact O-N 3.07Å; L635-L638 PolarHBondContact O-N 3.29Å; N636-L638 VanDerWaalsContact C-N 3.31Å; N636-L638 PolarHBondContact O-N 2.84Å; L638-E640 VanDerWaalsContact C-N 3.3Å; L638-E640 PolarHBondContact O-N 3.49Å; L638-K641 PolarHBondContact O-N 3.18Å; L638-L642 HydrophobicContact CB-CD1 4.37Å; L638-L642 WeakPolarHBondContact O-CB 3.49Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.36Å; L638-L642 PolarHBondContact O-N 3.02Å
639	K	89.2	Confident	87.6	Confident	115 Å²	115	70.7 Å²	70.7	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-35.8	176.2	-73.7	171.9	-179.2	171.7	0	112.8	T499 L635 N636 Y637	T499-K639 HydrophobicContact CG2-CG 4.13Å; L635-K639 HydrophobicContact CG-CD 4.47Å; L635-K639 WeakPolarHBondContact O-CG 3.19Å; L635-K639 PolarHBondContact O-N 2.83Å; N636-K639 PolarHBondContact O-N 2.61Å; Y637-K639 PolarHBondContact O-N 2.89Å
640	E	89.6	Confident	88	Confident	148 Å²	148	73.2 Å²	73.2	69%	0.692	36%	0.364	S	S	*	.	H	α-helix	trans	-71.2	-37.9	175.9	-72.6	-176.6	174.8	0	0	112.5	N636 Y637 L638 V643	N636-E640 WeakPolarHBondContact O-CG 3.36Å; N636-E640 PolarHBondContact O-N 2.92Å; Y637-E640 PolarHBondContact O-N 3.27Å; L638-E640 VanDerWaalsContact C-N 3.3Å; L638-E640 PolarHBondContact O-N 3.49Å; E640-V643 WeakPolarHBondContact O-CG2 3.36Å
641	K	88.1	Confident	88.5	Confident	126 Å²	126	74.5 Å²	74.5	55%	0.548	37%	0.368	S	S	.	.	H	α-helix	trans	-79.1	-34.3	179.2	-66.5	-62	-177	-176.9	0	113.1	F516 Y637 L638 V643	F516-K641 HydrophobicContact CE1-CB 4.15Å; Y637-K641 HydrophobicContact CD1-CG 4.45Å; Y637-K641 HydrophobicContact CD2-CG 4.14Å; Y637-K641 HydrophobicContact CE1-CG 4.07Å; Y637-K641 HydrophobicContact CE2-CD 4.26Å; Y637-K641 VanDerWaalsContact CE2-CE 3.42Å; Y637-K641 HydrophobicContact CE2-CG 3.78Å; Y637-K641 HydrophobicContact CG-CG 4.48Å; Y637-K641 WeakPolarHBondContact O-CG 3.16Å; Y637-K641 PolarHBondContact O-N 3.17Å; L638-K641 PolarHBondContact O-N 3.18Å; K641-V643 VanDerWaalsContact C-N 3.3Å; K641-V643 PolarHBondContact O-N 3.17Å; K641-V643 VanDerWaalsContact O-N 3.1Å
642	L	85.6	Confident	88.6	Confident	34 Å²	34	74.9 Å²	74.9	18%	0.178	37%	0.37	C	S	.	.			trans	-86.1	67.8	179.8	-70.2	172.4	0	0	0	111.1	T499 L500 F516 L638 Q644	T499-L642 HydrophobicContact CG2-CD1 4.16Å; T499-L642 WeakPolarHBondContact O-CD1 3.29Å; L500-L642 HydrophobicContact CD2-CD1 4.16Å; F516-L642 HydrophobicContact CE1-CD2 4.31Å; F516-L642 HydrophobicContact CE2-CD2 4.26Å; F516-L642 HydrophobicContact CZ-CD2 3.58Å; F516-L642 HydrophobicContact CZ-CG 4.18Å; L638-L642 HydrophobicContact CB-CD1 4.37Å; L638-L642 WeakPolarHBondContact O-CB 3.49Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.36Å; L638-L642 PolarHBondContact O-N 3.02Å; L642-Q644 PolarHBondContact O-N 3.44Å
643	V	80.3	Confident	88.7	Confident	126 Å²	126	75.4 Å²	75.4	76%	0.764	37%	0.373	S	S	*	.			trans	-75	112.2	173.8	-176.3	0	0	0	0	109.2	E640 K641	E640-V643 WeakPolarHBondContact O-CG2 3.36Å; K641-V643 VanDerWaalsContact C-N 3.3Å; K641-V643 PolarHBondContact O-N 3.17Å; K641-V643 VanDerWaalsContact O-N 3.1Å
644	Q	80.1	Confident	88.9	Confident	58 Å²	58	72.2 Å²	72.2	27%	0.271	36%	0.36	S	S	.	.			trans	-97.6	144.2	173	-66.9	176	31.6	0	0	110.7	L642 E648 K649	L642-Q644 PolarHBondContact O-N 3.44Å; Q644-E648 HydrophobicContact CB-CB 4.21Å; Q644-K649 HydrophobicContact CB-CB 4.48Å; Q644-K649 VanDerWaalsContact OE1-CA 3.27Å
645	T	88.5	Confident	89.1	Confident	73 Å²	73	72.1 Å²	72.1	45%	0.448	36%	0.36	S	S	.	.			trans	-67.1	155.6	165.7	64.6	0	0	0	0	110.4	P647 E648 K649	T645-P647 VanDerWaalsContact C-CD 3.48Å; T645-P647 VanDerWaalsContact C-N 3.31Å; T645-E648 WeakPolarHBondContact CB-OE2 3.35Å; T645-E648 PolarHBondContact N-OE2 3.3Å; T645-E648 PolarHBondContact O-N 3.35Å; T645-E648 VanDerWaalsContact O-N 3.12Å; T645-E648 VanDerWaalsContact OG1-CG 3.22Å; T645-E648 WeakPolarHBondContact OG1-CG 3.43Å; T645-E648 PolarHBondContact OG1-N 2.96Å; T645-E648 PolarHBondContact OG1-OE2 3.48Å; T645-K649 PolarHBondContact O-N 3.29Å
646	I	88	Confident	89.1	Confident	135 Å²	135	74.7 Å²	74.7	69%	0.692	37%	0.369	S	S	*	.	H	α-helix	trans	-53.6	-43.8	178.3	-61.3	171	0	0	0	111.8	E648 K649 I650	I646-E648 PolarHBondContact O-N 3.12Å; I646-K649 PolarHBondContact O-N 3.45Å; I646-I650 HydrophobicContact CG2-CD1 3.84Å; I646-I650 HydrophobicContact CG2-CG1 4.49Å; I646-I650 WeakPolarHBondContact O-CG1 3.31Å; I646-I650 PolarHBondContact O-N 3.34Å
647	P	87.7	Confident	89.2	Confident	88 Å²	88	75.6 Å²	75.6	57%	0.571	37%	0.37	S	S	*	.	H	α-helix	trans	-62.1	-40.3	176.1	-24.4	36	0	0	0	114.2	T645 I650 R651	T645-P647 VanDerWaalsContact C-CD 3.48Å; T645-P647 VanDerWaalsContact C-N 3.31Å; P647-I650 PolarHBondContact O-N 3.37Å; P647-R651 WeakPolarHBondContact O-CB 3.37Å; P647-R651 PolarHBondContact O-N 3.06Å
648	E	87.8	Confident	89.3	Confident	68 Å²	68	75.5 Å²	75.5	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-40.6	177.8	-71.8	163.8	157.4	0	0	111.6	Q644 T645 I646 R651 T652	Q644-E648 HydrophobicContact CB-CB 4.21Å; T645-E648 WeakPolarHBondContact CB-OE2 3.35Å; T645-E648 PolarHBondContact N-OE2 3.3Å; T645-E648 PolarHBondContact O-N 3.35Å; T645-E648 VanDerWaalsContact O-N 3.12Å; T645-E648 VanDerWaalsContact OG1-CG 3.22Å; T645-E648 WeakPolarHBondContact OG1-CG 3.43Å; T645-E648 PolarHBondContact OG1-N 2.96Å; T645-E648 PolarHBondContact OG1-OE2 3.48Å; I646-E648 PolarHBondContact O-N 3.12Å; E648-R651 PolarHBondContact O-N 3.4Å; E648-T652 WeakPolarHBondContact O-CB 3.22Å; E648-T652 PolarHBondContact O-N 2.96Å; E648-T652 PolarHBondContact O-OG1 3.42Å
649	K	88.2	Confident	89.4	Confident	137 Å²	137	75.9 Å²	75.9	60%	0.596	37%	0.372	S	S	*	.	H	α-helix	trans	-62.3	-44.7	175.8	-173	178	179.3	-179.6	0	111.7	Q644 T645 I646 T652 Q653	Q644-K649 HydrophobicContact CB-CB 4.48Å; Q644-K649 VanDerWaalsContact OE1-CA 3.27Å; T645-K649 PolarHBondContact O-N 3.29Å; I646-K649 PolarHBondContact O-N 3.45Å; K649-T652 PolarHBondContact O-N 3.49Å; K649-Q653 WeakPolarHBondContact O-CB 3.36Å; K649-Q653 PolarHBondContact O-N 3.43Å
650	I	89.3	Confident	89.5	Confident	86 Å²	86	75.1 Å²	75.1	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-46	175.8	-67.9	168.2	0	0	0	110.4	I646 P647 T652 Q653 I654	I646-I650 HydrophobicContact CG2-CD1 3.84Å; I646-I650 HydrophobicContact CG2-CG1 4.49Å; I646-I650 WeakPolarHBondContact O-CG1 3.31Å; I646-I650 PolarHBondContact O-N 3.34Å; P647-I650 PolarHBondContact O-N 3.37Å; I650-T652 PolarHBondContact O-N 3.34Å; I650-Q653 PolarHBondContact O-N 2.61Å; I650-I654 HydrophobicContact CG2-CD1 3.71Å; I650-I654 HydrophobicContact CG2-CG1 4.43Å; I650-I654 WeakPolarHBondContact O-CG1 3.35Å; I650-I654 PolarHBondContact O-N 3.25Å
651	R	92.6	Very high	89.8	Confident	33 Å²	33	72.1 Å²	72.1	13%	0.125	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-48.9	176.8	177.6	173.1	76.1	-147.3	-3.6	111.6	E503 P647 E648 Q653 I654 R655	E503-R651 IonicContact OE1-CZ 3.06Å; E503-R651 IonicContact OE1-NE 2.8Å; E503-R651 IonicContact OE1-NH2 3.15Å; E503-R651 PolarHBondContact OE1-NH2 3.01Å; E503-R651 IonicContact OE2-NE 2.85Å; E503-R651 PolarHBondContact OE2-NE 3.11Å; E503-R651 IonicContact OE2-NH2 3.4Å; P647-R651 WeakPolarHBondContact O-CB 3.37Å; P647-R651 PolarHBondContact O-N 3.06Å; E648-R651 PolarHBondContact O-N 3.4Å; R651-Q653 VanDerWaalsContact C-N 3.34Å; R651-Q653 PolarHBondContact O-N 3.15Å; R651-I654 PolarHBondContact O-N 3.04Å; R651-R655 HydrophobicContact CG-CG 4.46Å; R651-R655 WeakPolarHBondContact O-CB 3.39Å; R651-R655 WeakPolarHBondContact O-CG 3.27Å; R651-R655 PolarHBondContact O-N 3.35Å
652	T	90.1	Very high	90.1	Very high	10 Å²	10	66.2 Å²	66.2	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-46.2	178.2	-59.5	0	0	0	0	111.2	Q502 E648 K649 I650 R656	Q502-T652 WeakPolarHBondContact O-CB 3.49Å; Q502-T652 WeakPolarHBondContact O-CG2 3.25Å; Q502-T652 PolarHBondContact O-OG1 3.16Å; E648-T652 WeakPolarHBondContact O-CB 3.22Å; E648-T652 PolarHBondContact O-N 2.96Å; E648-T652 PolarHBondContact O-OG1 3.42Å; K649-T652 PolarHBondContact O-N 3.49Å; I650-T652 PolarHBondContact O-N 3.34Å; T652-R656 VanDerWaalsContact CG2-NH2 3.27Å; T652-R656 WeakPolarHBondContact O-CB 3.38Å; T652-R656 PolarHBondContact O-N 3.29Å
653	Q	91.2	Very high	90.3	Very high	109 Å²	109	66.2 Å²	66.2	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-48.8	179.3	-178	178	-17.4	0	0	111.7	K649 I650 R651 R655 R656 E657	K649-Q653 WeakPolarHBondContact O-CB 3.36Å; K649-Q653 PolarHBondContact O-N 3.43Å; I650-Q653 PolarHBondContact O-N 2.61Å; R651-Q653 VanDerWaalsContact C-N 3.34Å; R651-Q653 PolarHBondContact O-N 3.15Å; Q653-R655 PolarHBondContact O-N 3.05Å; Q653-R656 WeakPolarHBondContact O-CB 3.23Å; Q653-R656 PolarHBondContact O-N 2.88Å; Q653-E657 PolarHBondContact NE2-OE1 3.12Å; Q653-E657 WeakPolarHBondContact O-CG 3.49Å; Q653-E657 PolarHBondContact O-N 2.99Å
654	I	92.7	Very high	90.8	Very high	40 Å²	40	62 Å²	62	21%	0.205	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-46	179.8	-69	170.8	0	0	0	111.3	I650 R651 R656 E657 W658	I650-I654 HydrophobicContact CG2-CD1 3.71Å; I650-I654 HydrophobicContact CG2-CG1 4.43Å; I650-I654 WeakPolarHBondContact O-CG1 3.35Å; I650-I654 PolarHBondContact O-N 3.25Å; R651-I654 PolarHBondContact O-N 3.04Å; I654-R656 VanDerWaalsContact C-N 3.29Å; I654-R656 PolarHBondContact O-N 3.34Å; I654-E657 WeakPolarHBondContact O-CB 3.19Å; I654-E657 PolarHBondContact O-N 3.48Å; I654-W658 HydrophobicContact CG2-CD2 3.98Å; I654-W658 VanDerWaalsContact CG2-CE2 3.46Å; I654-W658 HydrophobicContact CG2-CE3 4.23Å; I654-W658 HydrophobicContact CG2-CH2 3.59Å; I654-W658 HydrophobicContact CG2-CZ2 3.27Å; I654-W658 HydrophobicContact CG2-CZ3 4.03Å; I654-W658 PolarHBondContact O-N 3.09Å
655	R	94.7	Very high	91.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-39.4	178.3	-77.5	176.8	170.7	-168.7	-18.6	111.6	E503 C504 R651 Q653 W658 I659 D688 H834 F838	E503-R655 IonicContact OE2-CZ 2.96Å; E503-R655 IonicContact OE2-NH1 2.97Å; E503-R655 PolarHBondContact OE2-NH1 2.94Å; C504-R655 HydrophobicContact CB-CB 4.46Å; R651-R655 HydrophobicContact CG-CG 4.46Å; R651-R655 WeakPolarHBondContact O-CB 3.39Å; R651-R655 WeakPolarHBondContact O-CG 3.27Å; R651-R655 PolarHBondContact O-N 3.35Å; Q653-R655 PolarHBondContact O-N 3.05Å; R655-W658 HydrophobicContact CG-CE3 4.41Å; R655-W658 HydrophobicContact CG-CZ3 4.47Å; R655-W658 PolarHBondContact O-N 3.26Å; R655-I659 WeakPolarHBondContact O-CG1 3.33Å; R655-I659 PolarHBondContact O-N 3.13Å; R655-D688 IonicContact CZ-OD1 2.7Å; R655-D688 IonicContact CZ-OD2 2.69Å; R655-D688 IonicContact NE-OD1 3.79Å; R655-D688 PolarHBondContact NE-OD1 3.23Å; R655-D688 IonicContact NE-OD2 2.65Å; R655-D688 IonicContact NH2-OD1 2.77Å; R655-D688 PolarHBondContact NH2-OD1 2.86Å; R655-D688 VanDerWaalsContact NH2-OD1 3.12Å; R655-D688 IonicContact NH2-OD2 3.2Å; R655-D688 PolarHBondContact NH2-OD2 3.43Å; R655-H834 PolarHBondContact NH1-O 2.96Å; R655-H834 PolarHBondContact NH2-ND1 2.82Å; R655-H834 PolarHBondContact NH2-O 3.1Å; R655-F838 HydrophobicContact CB-CD2 3.81Å; R655-F838 HydrophobicContact CB-CE2 3.55Å; R655-F838 HydrophobicContact CB-CZ 4.23Å; R655-F838 HydrophobicContact CG-CD1 4.36Å; R655-F838 HydrophobicContact CG-CD2 3.7Å; R655-F838 HydrophobicContact CG-CE1 4.3Å; R655-F838 HydrophobicContact CG-CE2 3.61Å; R655-F838 HydrophobicContact CG-CG 4.09Å; R655-F838 HydrophobicContact CG-CZ 3.93Å; R655-F838 VanDerWaalsContact CZ-CB 3.49Å
656	R	91.8	Very high	91.3	Very high	65 Å²	65	56.9 Å²	56.9	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-46.8	175.5	-160.5	178.1	-53.6	-77.2	-1.9	111.6	H498 T652 Q653 I654 W658 I659 E660	H498-R656 PolarHBondContact O-NH2 3.36Å; T652-R656 VanDerWaalsContact CG2-NH2 3.27Å; T652-R656 WeakPolarHBondContact O-CB 3.38Å; T652-R656 PolarHBondContact O-N 3.29Å; Q653-R656 WeakPolarHBondContact O-CB 3.23Å; Q653-R656 PolarHBondContact O-N 2.88Å; I654-R656 VanDerWaalsContact C-N 3.29Å; I654-R656 PolarHBondContact O-N 3.34Å; R656-W658 PolarHBondContact O-N 3.49Å; R656-I659 PolarHBondContact O-N 2.88Å; R656-I659 VanDerWaalsContact O-N 3.09Å; R656-E660 WeakPolarHBondContact O-CG 3.42Å; R656-E660 PolarHBondContact O-N 2.92Å
657	E	93	Very high	91.2	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-56.2	-36.4	174.2	-70.7	170.5	-167.9	0	0	112.2	Q653 I654 K661	Q653-E657 PolarHBondContact NE2-OE1 3.12Å; Q653-E657 WeakPolarHBondContact O-CG 3.49Å; Q653-E657 PolarHBondContact O-N 2.99Å; I654-E657 WeakPolarHBondContact O-CB 3.19Å; I654-E657 PolarHBondContact O-N 3.48Å; E657-K661 WeakPolarHBondContact O-CB 3.32Å; E657-K661 PolarHBondContact O-N 3.49Å
658	W	94.9	Very high	91	Very high	31 Å²	31	54.4 Å²	54.4	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-36.1	175.6	-63.6	-16	0	0	0	113.9	I654 R655 R656 K661 I662 T684 K687 D688 K691 F838	I654-W658 HydrophobicContact CG2-CD2 3.98Å; I654-W658 VanDerWaalsContact CG2-CE2 3.46Å; I654-W658 HydrophobicContact CG2-CE3 4.23Å; I654-W658 HydrophobicContact CG2-CH2 3.59Å; I654-W658 HydrophobicContact CG2-CZ2 3.27Å; I654-W658 HydrophobicContact CG2-CZ3 4.03Å; I654-W658 PolarHBondContact O-N 3.09Å; R655-W658 HydrophobicContact CG-CE3 4.41Å; R655-W658 HydrophobicContact CG-CZ3 4.47Å; R655-W658 PolarHBondContact O-N 3.26Å; R656-W658 PolarHBondContact O-N 3.49Å; W658-K661 WeakPolarHBondContact O-CB 3.35Å; W658-K661 PolarHBondContact O-N 3.38Å; W658-I662 WeakPolarHBondContact O-CG1 3.38Å; W658-I662 PolarHBondContact O-N 3.19Å; W658-T684 HydrophobicContact CB-CG2 3.68Å; W658-T684 HydrophobicContact CD2-CG2 4.32Å; W658-T684 HydrophobicContact CE3-CG2 4.09Å; W658-T684 HydrophobicContact CG-CG2 4.22Å; W658-K687 HydrophobicContact CH2-CB 3.82Å; W658-K687 HydrophobicContact CZ2-CB 3.73Å; W658-K687 HydrophobicContact CZ2-CD 4.5Å; W658-K687 HydrophobicContact CZ3-CB 4.4Å; W658-D688 HydrophobicContact CE3-CB 4.48Å; W658-D688 HydrophobicContact CH2-CB 4.44Å; W658-D688 HydrophobicContact CZ3-CB 3.68Å; W658-K691 HydrophobicContact CH2-CB 4.27Å; W658-K691 HydrophobicContact CH2-CG 4.16Å; W658-K691 HydrophobicContact CZ2-CG 4.47Å; W658-F838 HydrophobicContact CE3-CE1 4.35Å; W658-F838 AromaticContact CE3-CZ 3.96Å; W658-F838 HydrophobicContact CE3-CZ 3.96Å
659	I	94	Very high	90.8	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-45.7	172.4	-68.6	-51.1	0	0	0	110.6	C504 R655 R656 K661 I662 L663 F838 V842 H845	C504-I659 HydrophobicContact CB-CG1 4.13Å; R655-I659 WeakPolarHBondContact O-CG1 3.33Å; R655-I659 PolarHBondContact O-N 3.13Å; R656-I659 PolarHBondContact O-N 2.88Å; R656-I659 VanDerWaalsContact O-N 3.09Å; I659-K661 PolarHBondContact O-N 3.31Å; I659-I662 HydrophobicContact CD1-CD1 4.22Å; I659-I662 WeakPolarHBondContact O-CA 3.33Å; I659-I662 WeakPolarHBondContact O-CB 3.28Å; I659-I662 PolarHBondContact O-N 2.88Å; I659-L663 HydrophobicContact CG2-CD1 4.32Å; I659-L663 PolarHBondContact O-N 3.48Å; I659-F838 HydrophobicContact CD1-CE2 4.02Å; I659-F838 HydrophobicContact CG1-CE2 4.14Å; I659-V842 HydrophobicContact CD1-CG2 3.92Å; I659-H845 VanDerWaalsContact CG2-CD2 3.49Å; I659-H845 WeakPolarHBondContact CG2-CD2 3.37Å; I659-H845 WeakPolarHBondContact CG2-NE2 3.38Å
660	E	91.9	Very high	90.1	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-38.7	174.7	-68.1	-53.7	145.4	0	0	111.1	R656 I662 L663 A664	R656-E660 WeakPolarHBondContact O-CG 3.42Å; R656-E660 PolarHBondContact O-N 2.92Å; E660-I662 PolarHBondContact O-N 2.8Å; E660-L663 PolarHBondContact O-N 3.12Å; E660-A664 VanDerWaalsContact O-CB 3.29Å; E660-A664 WeakPolarHBondContact O-CB 3.34Å; E660-A664 PolarHBondContact O-N 2.8Å
661	K	94.6	Very high	89.2	Confident	85 Å²	85	44.5 Å²	44.5	37%	0.37	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-41.8	172.7	-172.9	-178	178.9	-172.8	0	112.6	E657 W658 I659 V665 T680	E657-K661 WeakPolarHBondContact O-CB 3.32Å; E657-K661 PolarHBondContact O-N 3.49Å; W658-K661 WeakPolarHBondContact O-CB 3.35Å; W658-K661 PolarHBondContact O-N 3.38Å; I659-K661 PolarHBondContact O-N 3.31Å; K661-V665 WeakPolarHBondContact O-CB 3.11Å; K661-V665 WeakPolarHBondContact O-CG2 3.48Å; K661-V665 PolarHBondContact O-N 3.1Å; K661-T680 HydrophobicContact CD-CG2 4.43Å; K661-T680 HydrophobicContact CG-CG2 4.3Å
662	I	94.1	Very high	88.4	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-44.7	177.1	-68.7	165.2	0	0	0	110.2	W658 I659 E660 V665 S666 T680 I681 T684 V842 H845	W658-I662 WeakPolarHBondContact O-CG1 3.38Å; W658-I662 PolarHBondContact O-N 3.19Å; I659-I662 HydrophobicContact CD1-CD1 4.22Å; I659-I662 WeakPolarHBondContact O-CA 3.33Å; I659-I662 WeakPolarHBondContact O-CB 3.28Å; I659-I662 PolarHBondContact O-N 2.88Å; E660-I662 PolarHBondContact O-N 2.8Å; I662-V665 PolarHBondContact O-N 2.79Å; I662-S666 WeakPolarHBondContact O-CB 3.39Å; I662-S666 PolarHBondContact O-N 2.87Å; I662-S666 PolarHBondContact O-OG 3.41Å; I662-T680 HydrophobicContact CG1-CG2 3.94Å; I662-I681 HydrophobicContact CD1-CG1 4.09Å; I662-I681 HydrophobicContact CG1-CG1 4.34Å; I662-I681 HydrophobicContact CG2-CG1 4.34Å; I662-T684 HydrophobicContact CD1-CG2 4.14Å; I662-V842 HydrophobicContact CD1-CG1 4.17Å; I662-V842 HydrophobicContact CD1-CG2 4.43Å; I662-H845 HydrophobicContact CG2-CB 4.03Å
663	L	90.4	Very high	88.2	Confident	34 Å²	34	46.6 Å²	46.6	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-47.6	176.7	-73.7	175.4	0	0	0	111.5	I659 E660 V665 S666 L667 H845 F848	I659-L663 HydrophobicContact CG2-CD1 4.32Å; I659-L663 PolarHBondContact O-N 3.48Å; E660-L663 PolarHBondContact O-N 3.12Å; L663-V665 VanDerWaalsContact C-N 3.34Å; L663-V665 PolarHBondContact O-N 3.45Å; L663-S666 WeakPolarHBondContact O-CB 2.98Å; L663-S666 PolarHBondContact O-N 2.96Å; L663-S666 VanDerWaalsContact O-N 3.1Å; L663-L667 WeakPolarHBondContact O-CB 3.27Å; L663-L667 WeakPolarHBondContact O-CG 3.44Å; L663-L667 PolarHBondContact O-N 2.78Å; L663-H845 WeakPolarHBondContact CD2-ND1 3.46Å; L663-F848 HydrophobicContact CD2-CD1 3.79Å; L663-F848 HydrophobicContact CD2-CE1 3.73Å
664	A	90.5	Very high	88.1	Confident	38 Å²	38	42.1 Å²	42.1	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-59	-43.6	176.9	0	0	0	0	0	111.9	E660 N668	E660-A664 VanDerWaalsContact O-CB 3.29Å; E660-A664 WeakPolarHBondContact O-CB 3.34Å; E660-A664 PolarHBondContact O-N 2.8Å; A664-N668 WeakPolarHBondContact O-CB 3.49Å; A664-N668 PolarHBondContact O-N 3.45Å; A664-N668 VanDerWaalsContact O-N 3.13Å; A664-N668 PolarHBondContact O-ND2 2.08Å
665	V	90.8	Very high	88	Confident	24 Å²	24	45.2 Å²	45.2	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-45.3	174.1	167.4	0	0	0	0	110.8	K661 I662 L663 L667 N668 T669 L676 V677 T680	K661-V665 WeakPolarHBondContact O-CB 3.11Å; K661-V665 WeakPolarHBondContact O-CG2 3.48Å; K661-V665 PolarHBondContact O-N 3.1Å; I662-V665 PolarHBondContact O-N 2.79Å; L663-V665 VanDerWaalsContact C-N 3.34Å; L663-V665 PolarHBondContact O-N 3.45Å; V665-L667 PolarHBondContact O-N 3.23Å; V665-N668 CarbonylContact O-C 3.53Å; V665-N668 PolarHBondContact O-N 3.27Å; V665-T669 WeakPolarHBondContact O-CB 2.96Å; V665-T669 PolarHBondContact O-N 2.91Å; V665-T669 PolarHBondContact O-OG1 3.32Å; V665-L676 HydrophobicContact CG1-CB 4.39Å; V665-L676 HydrophobicContact CG1-CD2 3.87Å; V665-L676 HydrophobicContact CG1-CG 3.7Å; V665-V677 HydrophobicContact CG1-CG2 4.3Å; V665-T680 HydrophobicContact CG2-CG2 4.09Å
666	S	89.8	Confident	87.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-43.4	-178.9	-53.3	0	0	0	0	112.2	I662 L663 N668 T669 A849	I662-S666 WeakPolarHBondContact O-CB 3.39Å; I662-S666 PolarHBondContact O-N 2.87Å; I662-S666 PolarHBondContact O-OG 3.41Å; L663-S666 WeakPolarHBondContact O-CB 2.98Å; L663-S666 PolarHBondContact O-N 2.96Å; L663-S666 VanDerWaalsContact O-N 3.1Å; S666-N668 VanDerWaalsContact C-N 3.29Å; S666-N668 PolarHBondContact O-N 2.85Å; S666-T669 PolarHBondContact O-N 2.59Å; S666-A849 VanDerWaalsContact OG-CB 3.23Å; S666-A849 WeakPolarHBondContact OG-CB 3.49Å
667	L	86	Confident	87.9	Confident	59 Å²	59	46.3 Å²	46.3	31%	0.309	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-32.1	177.7	-71.1	170.6	0	0	0	112.4	L663 V665 L852 R856	L663-L667 WeakPolarHBondContact O-CB 3.27Å; L663-L667 WeakPolarHBondContact O-CG 3.44Å; L663-L667 PolarHBondContact O-N 2.78Å; V665-L667 PolarHBondContact O-N 3.23Å; L667-L852 HydrophobicContact CD2-CD2 3.89Å; L667-R856 PolarHBondContact O-NH1 2.94Å; L667-R856 PolarHBondContact O-NH2 3.3Å
668	N	82.4	Confident	88	Confident	111 Å²	111	42.8 Å²	42.8	59%	0.594	22%	0.22	S	C	*	.	H	α-helix	trans	-92.1	-2.7	180	-69.4	-52.6	0	0	0	114.2	A664 V665 S666	A664-N668 WeakPolarHBondContact O-CB 3.49Å; A664-N668 PolarHBondContact O-N 3.45Å; A664-N668 VanDerWaalsContact O-N 3.13Å; A664-N668 PolarHBondContact O-ND2 2.08Å; V665-N668 CarbonylContact O-C 3.53Å; V665-N668 PolarHBondContact O-N 3.27Å; S666-N668 VanDerWaalsContact C-N 3.29Å; S666-N668 PolarHBondContact O-N 2.85Å
669	T	83	Confident	88	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	24%	0.237	C	C	.	.			trans	-86.1	114.8	176.3	-57.4	0	0	0	0	108.9	V665 S666 D671 S673 I853 R856	V665-T669 WeakPolarHBondContact O-CB 2.96Å; V665-T669 PolarHBondContact O-N 2.91Å; V665-T669 PolarHBondContact O-OG1 3.32Å; S666-T669 PolarHBondContact O-N 2.59Å; T669-D671 WeakPolarHBondContact CG2-OD1 3.38Å; T669-S673 WeakPolarHBondContact CG2-O 3.5Å; T669-I853 HydrophobicContact CG2-CD1 3.77Å; T669-I853 HydrophobicContact CG2-CG1 4.29Å; T669-R856 PolarHBondContact O-NH1 3.46Å
670	F	73.4	Confident	88.1	Confident	24 Å²	24	46.2 Å²	46.2	11%	0.105	24%	0.237	C	C	.	.			trans	-123.7	-12.3	179	-74.3	-92.2	0	0	0	112.9	H884 C886 L939	F670-H884 AromaticContact CE1-ND1 3.61Å; F670-C886 WeakPolarHBondContact CZ-SG 3.46Å; F670-L939 HydrophobicContact CB-CD1 3.23Å; F670-L939 HydrophobicContact CB-CG 3.99Å; F670-L939 HydrophobicContact CD1-CD1 3.68Å; F670-L939 HydrophobicContact CD2-CD1 3.45Å; F670-L939 VanDerWaalsContact CD2-CD1 3.45Å; F670-L939 HydrophobicContact CE1-CD1 4.32Å; F670-L939 HydrophobicContact CE2-CD1 4.13Å; F670-L939 HydrophobicContact CG-CD1 3.19Å; F670-L939 HydrophobicContact CG-CG 4.4Å
671	D	72	Confident	88.3	Confident	58 Å²	58	41.5 Å²	41.5	31%	0.31	22%	0.215	S	C	.	.	S	Bend	trans	-61.7	140.6	158.9	55.8	-27.5	0	0	0	108.1	T669 S673	T669-D671 WeakPolarHBondContact CG2-OD1 3.38Å; D671-S673 PolarHBondContact O-N 2.94Å; D671-S673 WeakPolarHBondContact OD2-CB 3.2Å
672	N	75.5	Confident	88.3	Confident	49 Å²	49	38.2 Å²	38.2	26%	0.262	20%	0.2	S	C	.	.	S	Bend	trans	-73.2	40.5	177.6	-61.9	-49.9	0	0	0	111	L577 Y857	L577-N672 VanDerWaalsContact CD1-O 3.27Å; L577-N672 WeakPolarHBondContact CD1-O 3.28Å; N672-Y857 HydrophobicContact CB-CD2 4.1Å; N672-Y857 WeakPolarHBondContact OD1-CA 3.38Å; N672-Y857 WeakPolarHBondContact OD1-CB 3.46Å
673	S	85.4	Confident	88.3	Confident	38 Å²	38	42.7 Å²	42.7	27%	0.266	22%	0.221	S	C	.	.			trans	-126.5	134.8	-172.8	-176.5	0	0	0	0	110.6	T669 D671 E675	T669-S673 WeakPolarHBondContact CG2-O 3.5Å; D671-S673 PolarHBondContact O-N 2.94Å; D671-S673 WeakPolarHBondContact OD2-CB 3.2Å; S673-E675 VanDerWaalsContact C-N 3.32Å; S673-E675 WeakPolarHBondContact OG-CB 3.39Å; S673-E675 PolarHBondContact OG-N 2.74Å
674	M	89.9	Confident	88.6	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.069	21%	0.214	C	C	.	.			trans	-88.5	0.8	173.8	-71.9	-70.4	-66.4	0	0	112.5	L676 V677 Y678 L846 A849 F850 I853	M674-L676 PolarHBondContact O-N 3.28Å; M674-V677 HydrophobicContact CE-CB 4.25Å; M674-V677 HydrophobicContact CE-CG1 3.94Å; M674-V677 WeakPolarHBondContact O-CB 3.42Å; M674-V677 PolarHBondContact O-N 2.92Å; M674-Y678 HydrophobicContact CB-CD2 3.81Å; M674-Y678 HydrophobicContact CB-CE1 4.26Å; M674-Y678 HydrophobicContact CB-CE2 3.29Å; M674-Y678 HydrophobicContact CB-CG 4.48Å; M674-Y678 HydrophobicContact CE-CE1 4.14Å; M674-Y678 HydrophobicContact CG-CE2 4.38Å; M674-Y678 WeakPolarHBondContact O-CD2 3.29Å; M674-Y678 PolarHBondContact O-N 3.3Å; M674-L846 HydrophobicContact CE-CD1 3.52Å; M674-A849 HydrophobicContact CE-CB 4.43Å; M674-F850 HydrophobicContact CE-CB 4.01Å; M674-F850 HydrophobicContact CE-CD2 4.42Å; M674-F850 HydrophobicContact CG-CD2 4.4Å; M674-F850 HydrophobicContact SD-CB 4.3Å; M674-F850 HydrophobicContact SD-CD2 4.34Å; M674-I853 HydrophobicContact SD-CB 4.5Å; M674-I853 HydrophobicContact SD-CD1 3.44Å; M674-I853 WeakPolarHBondContact SD-CD1 3.36Å
675	E	90.6	Very high	88.7	Confident	105 Å²	105	39.4 Å²	39.4	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-46.8	-169.9	-172	-175.8	164.2	0	0	112.9	S673 V677 Y678 K679	S673-E675 VanDerWaalsContact C-N 3.32Å; S673-E675 WeakPolarHBondContact OG-CB 3.39Å; S673-E675 PolarHBondContact OG-N 2.74Å; E675-V677 VanDerWaalsContact C-N 3.3Å; E675-V677 PolarHBondContact O-N 2.58Å; E675-Y678 PolarHBondContact O-N 3.11Å; E675-K679 HydrophobicContact CG-CD 4.37Å; E675-K679 WeakPolarHBondContact O-CB 3.46Å; E675-K679 WeakPolarHBondContact O-CG 3.35Å; E675-K679 PolarHBondContact O-N 2.91Å; E675-K679 WeakPolarHBondContact OE1-CE 3.3Å; E675-K679 IonicContact OE1-NZ 2.72Å; E675-K679 PolarHBondContact OE1-NZ 3.25Å
676	L	90.9	Very high	88.7	Confident	87 Å²	87	41.2 Å²	41.2	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-36	179.6	-172	64.2	0	0	0	111.9	V665 M674 T680	V665-L676 HydrophobicContact CG1-CB 4.39Å; V665-L676 HydrophobicContact CG1-CD2 3.87Å; V665-L676 HydrophobicContact CG1-CG 3.7Å; M674-L676 PolarHBondContact O-N 3.28Å; L676-T680 WeakPolarHBondContact O-CB 3.15Å; L676-T680 PolarHBondContact O-N 2.65Å; L676-T680 PolarHBondContact O-OG1 2.87Å
677	V	93.6	Very high	88.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-48.9	175.7	178.5	0	0	0	0	110.2	V665 M674 E675 K679 T680 I681 L846 A849 I853	V665-V677 HydrophobicContact CG1-CG2 4.3Å; M674-V677 HydrophobicContact CE-CB 4.25Å; M674-V677 HydrophobicContact CE-CG1 3.94Å; M674-V677 WeakPolarHBondContact O-CB 3.42Å; M674-V677 PolarHBondContact O-N 2.92Å; E675-V677 VanDerWaalsContact C-N 3.3Å; E675-V677 PolarHBondContact O-N 2.58Å; V677-K679 PolarHBondContact O-N 3.09Å; V677-T680 PolarHBondContact O-N 2.74Å; V677-I681 HydrophobicContact CG1-CD1 3.71Å; V677-I681 WeakPolarHBondContact O-CB 3.3Å; V677-I681 WeakPolarHBondContact O-CG1 3.28Å; V677-I681 PolarHBondContact O-N 3.08Å; V677-L846 HydrophobicContact CG1-CD1 4.22Å; V677-A849 HydrophobicContact CG1-CB 3.77Å; V677-A849 HydrophobicContact CG2-CB 4.38Å; V677-I853 HydrophobicContact CG2-CD1 3.97Å
678	Y	95.1	Very high	89.1	Confident	30 Å²	30	42.4 Å²	42.4	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-47.2	176.1	-65.8	-42.1	0	0	0	112	M674 E675 T680 I681 F682 I702 V728 A729 L846	M674-Y678 HydrophobicContact CB-CD2 3.81Å; M674-Y678 HydrophobicContact CB-CE1 4.26Å; M674-Y678 HydrophobicContact CB-CE2 3.29Å; M674-Y678 HydrophobicContact CB-CG 4.48Å; M674-Y678 HydrophobicContact CE-CE1 4.14Å; M674-Y678 HydrophobicContact CG-CE2 4.38Å; M674-Y678 WeakPolarHBondContact O-CD2 3.29Å; M674-Y678 PolarHBondContact O-N 3.3Å; E675-Y678 PolarHBondContact O-N 3.11Å; Y678-T680 VanDerWaalsContact C-N 3.29Å; Y678-T680 PolarHBondContact O-N 2.96Å; Y678-I681 PolarHBondContact O-N 3.31Å; Y678-F682 WeakPolarHBondContact O-CB 3.43Å; Y678-F682 VanDerWaalsContact O-CD2 3.22Å; Y678-F682 WeakPolarHBondContact O-CD2 3.16Å; Y678-F682 VanDerWaalsContact O-CG 3.22Å; Y678-F682 WeakPolarHBondContact O-CG 3.41Å; Y678-F682 PolarHBondContact O-N 3.5Å; Y678-I702 HydrophobicContact CD1-CD1 3.68Å; Y678-I702 HydrophobicContact CE1-CD1 3.92Å; Y678-I702 HydrophobicContact CE1-CG2 4.32Å; Y678-V728 HydrophobicContact CE2-CG2 4.43Å; Y678-A729 HydrophobicContact CD1-CB 4.28Å; Y678-A729 HydrophobicContact CD2-CB 3.94Å; Y678-A729 HydrophobicContact CE2-CB 4.24Å; Y678-A729 HydrophobicContact CG-CB 3.97Å; Y678-L846 HydrophobicContact CD1-CD1 3.96Å; Y678-L846 HydrophobicContact CE1-CD1 3.67Å
679	K	94.4	Very high	89.4	Confident	105 Å²	105	37.4 Å²	37.4	46%	0.457	18%	0.183	S	C	.	.	H	α-helix	trans	-56.9	-44.1	175.9	-76.1	177	-176.8	170.1	0	111.6	E675 V677 Q683	E675-K679 HydrophobicContact CG-CD 4.37Å; E675-K679 WeakPolarHBondContact O-CB 3.46Å; E675-K679 WeakPolarHBondContact O-CG 3.35Å; E675-K679 PolarHBondContact O-N 2.91Å; E675-K679 WeakPolarHBondContact OE1-CE 3.3Å; E675-K679 IonicContact OE1-NZ 2.72Å; E675-K679 PolarHBondContact OE1-NZ 3.25Å; V677-K679 PolarHBondContact O-N 3.09Å; K679-Q683 WeakPolarHBondContact O-CB 3.42Å; K679-Q683 WeakPolarHBondContact O-CG 3.47Å; K679-Q683 PolarHBondContact O-N 3.06Å
680	T	95.7	Very high	89.6	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.043	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-44.3	-179.5	-58.3	0	0	0	0	111.5	K661 I662 V665 L676 V677 Y678 Q683 T684	K661-T680 HydrophobicContact CD-CG2 4.43Å; K661-T680 HydrophobicContact CG-CG2 4.3Å; I662-T680 HydrophobicContact CG1-CG2 3.94Å; V665-T680 HydrophobicContact CG2-CG2 4.09Å; L676-T680 WeakPolarHBondContact O-CB 3.15Å; L676-T680 PolarHBondContact O-N 2.65Å; L676-T680 PolarHBondContact O-OG1 2.87Å; V677-T680 PolarHBondContact O-N 2.74Å; Y678-T680 VanDerWaalsContact C-N 3.29Å; Y678-T680 PolarHBondContact O-N 2.96Å; T680-Q683 PolarHBondContact O-N 3.3Å; T680-T684 WeakPolarHBondContact O-CB 3.41Å; T680-T684 PolarHBondContact O-N 2.91Å; T680-T684 PolarHBondContact O-OG1 2.77Å; T680-T684 VanDerWaalsContact O-OG1 3.08Å
681	I	96.3	Very high	90.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-49.1	176.4	-75.8	163.5	0	0	0	111.2	I662 V677 Y678 Q683 T684 L685 V842 L846	I662-I681 HydrophobicContact CD1-CG1 4.09Å; I662-I681 HydrophobicContact CG1-CG1 4.34Å; I662-I681 HydrophobicContact CG2-CG1 4.34Å; V677-I681 HydrophobicContact CG1-CD1 3.71Å; V677-I681 WeakPolarHBondContact O-CB 3.3Å; V677-I681 WeakPolarHBondContact O-CG1 3.28Å; V677-I681 PolarHBondContact O-N 3.08Å; Y678-I681 PolarHBondContact O-N 3.31Å; I681-Q683 VanDerWaalsContact C-N 3.35Å; I681-Q683 PolarHBondContact O-N 2.83Å; I681-T684 WeakPolarHBondContact O-CB 3.5Å; I681-T684 PolarHBondContact O-N 3.17Å; I681-T684 VanDerWaalsContact O-N 3.12Å; I681-L685 HydrophobicContact CG2-CD1 3.88Å; I681-L685 HydrophobicContact CG2-CG 4.45Å; I681-L685 WeakPolarHBondContact O-CG 3.37Å; I681-L685 PolarHBondContact O-N 3.34Å; I681-V842 HydrophobicContact CB-CG1 4.31Å; I681-V842 HydrophobicContact CG1-CG1 4.12Å; I681-V842 HydrophobicContact CG2-CG1 3.6Å; I681-L846 HydrophobicContact CD1-CB 3.61Å; I681-L846 HydrophobicContact CD1-CD1 3.43Å; I681-L846 VanDerWaalsContact CD1-CD1 3.43Å; I681-L846 HydrophobicContact CD1-CD2 4.39Å; I681-L846 HydrophobicContact CD1-CG 3.96Å
682	F	95.4	Very high	90.9	Very high	16 Å²	16	47 Å²	47	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-44.7	178.4	-72.4	-27.1	0	0	0	112.3	Y678 T684 L685 I686 I700 I702 A729 I731	Y678-F682 WeakPolarHBondContact O-CB 3.43Å; Y678-F682 VanDerWaalsContact O-CD2 3.22Å; Y678-F682 WeakPolarHBondContact O-CD2 3.16Å; Y678-F682 VanDerWaalsContact O-CG 3.22Å; Y678-F682 WeakPolarHBondContact O-CG 3.41Å; Y678-F682 PolarHBondContact O-N 3.5Å; F682-T684 VanDerWaalsContact C-N 3.3Å; F682-T684 PolarHBondContact O-N 2.89Å; F682-L685 PolarHBondContact O-N 2.95Å; F682-I686 WeakPolarHBondContact O-CB 3.39Å; F682-I686 WeakPolarHBondContact O-CD1 3.43Å; F682-I686 VanDerWaalsContact O-CG1 3.24Å; F682-I686 WeakPolarHBondContact O-CG1 3.36Å; F682-I686 PolarHBondContact O-N 3.11Å; F682-I700 HydrophobicContact CD1-CB 4.23Å; F682-I700 HydrophobicContact CD1-CD1 4.1Å; F682-I700 HydrophobicContact CD1-CG2 4.06Å; F682-I700 HydrophobicContact CE1-CB 4.01Å; F682-I700 HydrophobicContact CE1-CG2 3.65Å; F682-I702 HydrophobicContact CE1-CD1 3.77Å; F682-I702 HydrophobicContact CE1-CG1 4.24Å; F682-I702 HydrophobicContact CZ-CD1 3.88Å; F682-I702 HydrophobicContact CZ-CG1 4.39Å; F682-A729 HydrophobicContact CE2-CB 3.93Å; F682-A729 HydrophobicContact CZ-CB 3.68Å; F682-I731 HydrophobicContact CB-CD1 3.47Å; F682-I731 VanDerWaalsContact CB-CD1 3.47Å; F682-I731 HydrophobicContact CD1-CD1 4.25Å; F682-I731 HydrophobicContact CD1-CG1 4.5Å; F682-I731 HydrophobicContact CD2-CD1 3.35Å; F682-I731 HydrophobicContact CD2-CG1 3.7Å; F682-I731 HydrophobicContact CE2-CD1 4.1Å; F682-I731 HydrophobicContact CE2-CG1 3.91Å; F682-I731 HydrophobicContact CG-CD1 3.43Å; F682-I731 VanDerWaalsContact CG-CD1 3.43Å; F682-I731 HydrophobicContact CG-CG1 4.01Å; F682-I731 HydrophobicContact CZ-CG1 4.42Å
683	Q	94.3	Very high	91	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-59.6	-41.5	173.7	-74.9	176.3	10.6	0	0	112	K679 T680 I681 K687	K679-Q683 WeakPolarHBondContact O-CB 3.42Å; K679-Q683 WeakPolarHBondContact O-CG 3.47Å; K679-Q683 PolarHBondContact O-N 3.06Å; T680-Q683 PolarHBondContact O-N 3.3Å; I681-Q683 VanDerWaalsContact C-N 3.35Å; I681-Q683 PolarHBondContact O-N 2.83Å; Q683-K687 WeakPolarHBondContact O-CB 3.46Å; Q683-K687 WeakPolarHBondContact O-CG 3.27Å; Q683-K687 PolarHBondContact O-N 3.43Å
684	T	95.2	Very high	90.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-47.2	178.2	-68.7	0	0	0	0	111.6	W658 I662 T680 I681 F682 K687 D688 F838 V842	W658-T684 HydrophobicContact CB-CG2 3.68Å; W658-T684 HydrophobicContact CD2-CG2 4.32Å; W658-T684 HydrophobicContact CE3-CG2 4.09Å; W658-T684 HydrophobicContact CG-CG2 4.22Å; I662-T684 HydrophobicContact CD1-CG2 4.14Å; T680-T684 WeakPolarHBondContact O-CB 3.41Å; T680-T684 PolarHBondContact O-N 2.91Å; T680-T684 PolarHBondContact O-OG1 2.77Å; T680-T684 VanDerWaalsContact O-OG1 3.08Å; I681-T684 WeakPolarHBondContact O-CB 3.5Å; I681-T684 PolarHBondContact O-N 3.17Å; I681-T684 VanDerWaalsContact O-N 3.12Å; F682-T684 VanDerWaalsContact C-N 3.3Å; F682-T684 PolarHBondContact O-N 2.89Å; T684-K687 PolarHBondContact O-N 2.88Å; T684-D688 PolarHBondContact O-N 3.29Å; T684-F838 HydrophobicContact CG2-CE1 4.22Å; T684-F838 HydrophobicContact CG2-CZ 3.76Å; T684-V842 HydrophobicContact CG2-CG2 4.31Å
685	L	93.5	Very high	89.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-42.2	179.7	-67.2	172.3	0	0	0	111.9	I681 F682 D688 T689 I698 I700 M817 Y839 V842	I681-L685 HydrophobicContact CG2-CD1 3.88Å; I681-L685 HydrophobicContact CG2-CG 4.45Å; I681-L685 WeakPolarHBondContact O-CG 3.37Å; I681-L685 PolarHBondContact O-N 3.34Å; F682-L685 PolarHBondContact O-N 2.95Å; L685-D688 PolarHBondContact O-N 3.42Å; L685-T689 PolarHBondContact O-N 3.48Å; L685-T689 VanDerWaalsContact O-N 3.13Å; L685-I698 HydrophobicContact CB-CD1 4.47Å; L685-I700 HydrophobicContact CB-CD1 3.72Å; L685-I700 HydrophobicContact CD1-CD1 3.67Å; L685-I700 HydrophobicContact CD1-CG1 4.43Å; L685-I700 HydrophobicContact CD1-CG2 4.32Å; L685-I700 HydrophobicContact CG-CD1 4.35Å; L685-M817 HydrophobicContact CD1-CE 4Å; L685-M817 HydrophobicContact CD1-SD 3.97Å; L685-Y839 HydrophobicContact CD2-CD1 3.28Å; L685-Y839 HydrophobicContact CD2-CE1 3.62Å; L685-Y839 HydrophobicContact CD2-CG 3.84Å; L685-V842 HydrophobicContact CD1-CG1 4.32Å; L685-V842 HydrophobicContact CD2-CB 4.2Å; L685-V842 HydrophobicContact CD2-CG1 4.1Å; L685-V842 HydrophobicContact CD2-CG2 4.06Å; L685-V842 HydrophobicContact CG-CG1 4.17Å
686	I	91	Very high	89.2	Confident	62 Å²	62	49.2 Å²	49.2	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-39.4	175.6	-65.8	165.7	0	0	0	111.3	F682 D688 T689 I690 I731	F682-I686 WeakPolarHBondContact O-CB 3.39Å; F682-I686 WeakPolarHBondContact O-CD1 3.43Å; F682-I686 VanDerWaalsContact O-CG1 3.24Å; F682-I686 WeakPolarHBondContact O-CG1 3.36Å; F682-I686 PolarHBondContact O-N 3.11Å; I686-D688 VanDerWaalsContact C-N 3.29Å; I686-D688 PolarHBondContact O-N 3.32Å; I686-T689 PolarHBondContact O-N 2.99Å; I686-T689 PolarHBondContact O-OG1 3.47Å; I686-I690 HydrophobicContact CG2-CD1 4.03Å; I686-I690 WeakPolarHBondContact O-CG1 3.36Å; I686-I690 PolarHBondContact O-N 2.93Å; I686-I731 HydrophobicContact CD1-CD1 4.4Å; I686-I731 HydrophobicContact CD1-CG2 4.34Å
687	K	92.2	Very high	88.7	Confident	84 Å²	84	50.3 Å²	50.3	37%	0.365	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-37.1	175.7	-77.7	172.4	-179	-177.6	0	111.8	W658 Q683 T684 I690 K691	W658-K687 HydrophobicContact CH2-CB 3.82Å; W658-K687 HydrophobicContact CZ2-CB 3.73Å; W658-K687 HydrophobicContact CZ2-CD 4.5Å; W658-K687 HydrophobicContact CZ3-CB 4.4Å; Q683-K687 WeakPolarHBondContact O-CB 3.46Å; Q683-K687 WeakPolarHBondContact O-CG 3.27Å; Q683-K687 PolarHBondContact O-N 3.43Å; T684-K687 PolarHBondContact O-N 2.88Å; K687-I690 PolarHBondContact O-N 3.1Å; K687-K691 WeakPolarHBondContact O-CB 3.49Å; K687-K691 WeakPolarHBondContact O-CG 3.33Å; K687-K691 PolarHBondContact O-N 2.85Å
688	D	92	Very high	88.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176.6	-166.3	66.1	0	0	0	111.7	R655 W658 T684 L685 I686 I690 K691 H692 G693 F838 Y839	R655-D688 IonicContact CZ-OD1 2.7Å; R655-D688 IonicContact CZ-OD2 2.69Å; R655-D688 IonicContact NE-OD1 3.79Å; R655-D688 PolarHBondContact NE-OD1 3.23Å; R655-D688 IonicContact NE-OD2 2.65Å; R655-D688 IonicContact NH2-OD1 2.77Å; R655-D688 PolarHBondContact NH2-OD1 2.86Å; R655-D688 VanDerWaalsContact NH2-OD1 3.12Å; R655-D688 IonicContact NH2-OD2 3.2Å; R655-D688 PolarHBondContact NH2-OD2 3.43Å; W658-D688 HydrophobicContact CE3-CB 4.48Å; W658-D688 HydrophobicContact CH2-CB 4.44Å; W658-D688 HydrophobicContact CZ3-CB 3.68Å; T684-D688 PolarHBondContact O-N 3.29Å; L685-D688 PolarHBondContact O-N 3.42Å; I686-D688 VanDerWaalsContact C-N 3.29Å; I686-D688 PolarHBondContact O-N 3.32Å; D688-I690 VanDerWaalsContact C-N 3.3Å; D688-I690 PolarHBondContact O-N 2.78Å; D688-K691 PolarHBondContact O-N 2.97Å; D688-H692 WeakPolarHBondContact O-CA 3.42Å; D688-H692 PolarHBondContact O-N 3.06Å; D688-H692 IonicContact OD1-CD2 3.5Å; D688-G693 PolarHBondContact O-N 3.15Å; D688-F838 HydrophobicContact CB-CD1 4.15Å; D688-F838 HydrophobicContact CB-CE1 3.74Å; D688-Y839 HydrophobicContact CB-CE1 4.42Å; D688-Y839 WeakPolarHBondContact OD2-CE1 3.47Å
689	T	88.3	Confident	87.9	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-37.3	176.2	64.7	0	0	0	0	112.5	L685 I686 G693 Q695 K696 I698 Y839	L685-T689 PolarHBondContact O-N 3.48Å; L685-T689 VanDerWaalsContact O-N 3.13Å; I686-T689 PolarHBondContact O-N 2.99Å; I686-T689 PolarHBondContact O-OG1 3.47Å; T689-G693 CarbonylContact O-C 3.55Å; T689-G693 WeakPolarHBondContact O-CA 3.47Å; T689-G693 PolarHBondContact O-N 3.27Å; T689-Q695 WeakPolarHBondContact O-CA 3.49Å; T689-Q695 PolarHBondContact O-N 3.31Å; T689-K696 WeakPolarHBondContact CB-O 3.08Å; T689-K696 PolarHBondContact OG1-O 3.26Å; T689-I698 HydrophobicContact CG2-CD1 3.55Å; T689-I698 HydrophobicContact CG2-CG1 3.94Å; T689-I698 HydrophobicContact CG2-CG2 4.04Å; T689-Y839 WeakPolarHBondContact CG2-OH 3.35Å
690	I	87.3	Confident	87.8	Confident	96 Å²	96	44.5 Å²	44.5	49%	0.492	21%	0.209	S	C	.	.	H	α-helix	trans	-68.4	-38.7	178	-65.1	165.7	0	0	0	111.7	I686 K687 D688	I686-I690 HydrophobicContact CG2-CD1 4.03Å; I686-I690 WeakPolarHBondContact O-CG1 3.36Å; I686-I690 PolarHBondContact O-N 2.93Å; K687-I690 PolarHBondContact O-N 3.1Å; D688-I690 VanDerWaalsContact C-N 3.3Å; D688-I690 PolarHBondContact O-N 2.78Å
691	K	87.3	Confident	87.5	Confident	145 Å²	145	44.3 Å²	44.3	63%	0.63	21%	0.208	S	C	*	.	H	α-helix	trans	-90.1	-40.3	-173.3	-70.6	-68.8	-176.4	177.7	0	114.1	W658 K687 D688	W658-K691 HydrophobicContact CH2-CB 4.27Å; W658-K691 HydrophobicContact CH2-CG 4.16Å; W658-K691 HydrophobicContact CZ2-CG 4.47Å; K687-K691 WeakPolarHBondContact O-CB 3.49Å; K687-K691 WeakPolarHBondContact O-CG 3.33Å; K687-K691 PolarHBondContact O-N 2.85Å; D688-K691 PolarHBondContact O-N 2.97Å
692	H	85	Confident	87.3	Confident	45 Å²	45	44.3 Å²	44.3	21%	0.208	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-15.8	-169.1	-59.9	-55	0	0	0	113.7	D688	D688-H692 WeakPolarHBondContact O-CA 3.42Å; D688-H692 PolarHBondContact O-N 3.06Å; D688-H692 IonicContact OD1-CD2 3.5Å
693	G	77.1	Confident	87	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-102.4	35.2	-178.6	0	0	0	0	0	114.8	D688 T689 Q695 K696 E835	D688-G693 PolarHBondContact O-N 3.15Å; T689-G693 CarbonylContact O-C 3.55Å; T689-G693 WeakPolarHBondContact O-CA 3.47Å; T689-G693 PolarHBondContact O-N 3.27Å; G693-Q695 PolarHBondContact O-N 3.3Å; G693-K696 WeakPolarHBondContact O-CB 3.36Å; G693-K696 VanDerWaalsContact O-CD 3.26Å; G693-K696 WeakPolarHBondContact O-CD 3.31Å; G693-K696 WeakPolarHBondContact O-CE 3.45Å; G693-K696 WeakPolarHBondContact O-CG 3.44Å; G693-K696 PolarHBondContact O-N 3.41Å; G693-E835 WeakPolarHBondContact CA-OE1 3.29Å
694	E	77.9	Confident	86.6	Confident	100 Å²	100	39.6 Å²	39.6	47%	0.467	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.3	176.1	-54.9	-174.4	140	0	0	115.1	K696 L828 P829	E694-K696 PolarHBondContact O-N 2.88Å; E694-L828 HydrophobicContact CB-CD2 4.35Å; E694-L828 VanDerWaalsContact OE2-CD2 3.29Å; E694-L828 WeakPolarHBondContact OE2-CD2 3.31Å; E694-P829 WeakPolarHBondContact OE2-CD 3.44Å
695	Q	74.2	Confident	85.9	Confident	145 Å²	145	41.3 Å²	41.3	68%	0.678	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	30.4	-176.7	-54.4	179.6	-12.3	0	0	113.8	T689 G693 Q697	T689-Q695 WeakPolarHBondContact O-CA 3.49Å; T689-Q695 PolarHBondContact O-N 3.31Å; G693-Q695 PolarHBondContact O-N 3.3Å; Q695-Q697 PolarHBondContact O-N 3.02Å
696	K	76.9	Confident	84.8	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.03	21%	0.207	C	C	.	.			trans	-56.9	130	171.3	-68.8	161.9	-158.5	176.4	0	109.8	T689 G693 E694 I698 M830 E835	T689-K696 WeakPolarHBondContact CB-O 3.08Å; T689-K696 PolarHBondContact OG1-O 3.26Å; G693-K696 WeakPolarHBondContact O-CB 3.36Å; G693-K696 VanDerWaalsContact O-CD 3.26Å; G693-K696 WeakPolarHBondContact O-CD 3.31Å; G693-K696 WeakPolarHBondContact O-CE 3.45Å; G693-K696 WeakPolarHBondContact O-CG 3.44Å; G693-K696 PolarHBondContact O-N 3.41Å; E694-K696 PolarHBondContact O-N 2.88Å; K696-I698 HydrophobicContact CB-CG2 4.49Å; K696-M830 PolarHBondContact NZ-O 3.12Å; K696-E835 VanDerWaalsContact NZ-CD 3.3Å; K696-E835 IonicContact NZ-OE1 3.53Å; K696-E835 PolarHBondContact NZ-OE1 3.09Å; K696-E835 VanDerWaalsContact NZ-OE1 3.12Å; K696-E835 IonicContact NZ-OE2 3.61Å; K696-E835 PolarHBondContact NZ-OE2 3.22Å
697	Q	80.3	Confident	83.2	Confident	109 Å²	109	44 Å²	44	51%	0.509	21%	0.209	S	C	.	.			trans	-80.4	129.7	167.3	-71.7	-174.9	-13.9	0	0	108.7	Q695 L822 N824	Q695-Q697 PolarHBondContact O-N 3.02Å; Q697-L822 HydrophobicContact CB-CB 3.9Å; Q697-L822 HydrophobicContact CB-CD1 4.34Å; Q697-L822 PolarHBondContact O-N 2.95Å; Q697-N824 PolarHBondContact OE1-ND2 2.89Å; Q697-N824 VanDerWaalsContact OE1-ND2 3.13Å
698	I	84.8	Confident	81.1	Confident	13 Å²	13	43.2 Å²	43.2	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147	-178	60.4	170.8	0	0	0	110.5	L685 T689 K696 I700 V819 N820 F831	L685-I698 HydrophobicContact CB-CD1 4.47Å; T689-I698 HydrophobicContact CG2-CD1 3.55Å; T689-I698 HydrophobicContact CG2-CG1 3.94Å; T689-I698 HydrophobicContact CG2-CG2 4.04Å; K696-I698 HydrophobicContact CB-CG2 4.49Å; I698-I700 HydrophobicContact CD1-CD1 3.74Å; I698-I700 HydrophobicContact CD1-CG1 3.91Å; I698-I700 HydrophobicContact CG1-CD1 4.36Å; I698-I700 HydrophobicContact CG1-CG1 4.31Å; I698-V819 HydrophobicContact CB-CG1 4.06Å; I698-V819 HydrophobicContact CD1-CG1 4.11Å; I698-V819 HydrophobicContact CG2-CG1 4.25Å; I698-N820 CarbonylContact C-O 3.57Å; I698-N820 WeakPolarHBondContact CA-O 2.9Å; I698-F831 HydrophobicContact CG2-CE1 4.32Å
699	S	87.6	Confident	78.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.8	159.4	63.4	0	0	0	0	110	I731 P732 E735 V819 N820	S699-I731 CarbonylContact C-O 3.41Å; S699-I731 WeakPolarHBondContact CA-O 3.15Å; S699-I731 WeakPolarHBondContact CB-O 3.46Å; S699-P732 VanDerWaalsContact CB-CD 3.49Å; S699-E735 VanDerWaalsContact CB-CD 3.48Å; S699-E735 WeakPolarHBondContact CB-OE1 3.12Å; S699-E735 PolarHBondContact OG-OE1 3.13Å; S699-E735 PolarHBondContact OG-OE2 3.41Å; S699-V819 CarbonylContact O-C 3.52Å; S699-V819 VanDerWaalsContact O-CA 3.28Å; S699-V819 WeakPolarHBondContact O-CA 3.24Å; S699-N820 PolarHBondContact N-O 3.29Å; S699-N820 PolarHBondContact O-N 3.03Å; S699-N820 WeakPolarHBondContact OG-CB 3.36Å; S699-N820 PolarHBondContact OG-ND2 3.1Å
700	I	91.1	Very high	76.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.3	-175	-55	158.9	0	0	0	108	F682 L685 I698 A730 I731 M817 K818 V819	F682-I700 HydrophobicContact CD1-CB 4.23Å; F682-I700 HydrophobicContact CD1-CD1 4.1Å; F682-I700 HydrophobicContact CD1-CG2 4.06Å; F682-I700 HydrophobicContact CE1-CB 4.01Å; F682-I700 HydrophobicContact CE1-CG2 3.65Å; L685-I700 HydrophobicContact CB-CD1 3.72Å; L685-I700 HydrophobicContact CD1-CD1 3.67Å; L685-I700 HydrophobicContact CD1-CG1 4.43Å; L685-I700 HydrophobicContact CD1-CG2 4.32Å; L685-I700 HydrophobicContact CG-CD1 4.35Å; I698-I700 HydrophobicContact CD1-CD1 3.74Å; I698-I700 HydrophobicContact CD1-CG1 3.91Å; I698-I700 HydrophobicContact CG1-CD1 4.36Å; I698-I700 HydrophobicContact CG1-CG1 4.31Å; I700-A730 CarbonylContact O-C 3.59Å; I700-A730 VanDerWaalsContact O-CA 3.24Å; I700-A730 WeakPolarHBondContact O-CA 3.42Å; I700-I731 PolarHBondContact N-O 3.41Å; I700-I731 PolarHBondContact O-N 3.47Å; I700-M817 HydrophobicContact CG2-CG 3.83Å; I700-M817 HydrophobicContact CG2-SD 3.89Å; I700-K818 CarbonylContact C-O 3.5Å; I700-K818 WeakPolarHBondContact CA-O 3.5Å; I700-V819 HydrophobicContact CG1-CG1 4.27Å; I700-V819 HydrophobicContact CG1-CG2 4.4Å; I700-V819 HydrophobicContact CG2-CG2 4.4Å
701	N	90	Very high	73.8	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.5	-177.4	-56.7	-25.8	0	0	0	109.1	Y727 A730 E735 L739 K818	N701-Y727 HydrophobicContact CB-CD1 3.96Å; N701-Y727 HydrophobicContact CB-CE1 3.73Å; N701-A730 WeakPolarHBondContact OD1-CB 3.47Å; N701-E735 PolarHBondContact ND2-OE2 3.23Å; N701-E735 PolarHBondContact OD1-OE2 3.33Å; N701-L739 VanDerWaalsContact ND2-CD1 3.29Å; N701-L739 WeakPolarHBondContact ND2-CD1 3.29Å; N701-K818 HydrophobicContact CB-CB 4.39Å; N701-K818 PolarHBondContact N-O 3.11Å; N701-K818 PolarHBondContact O-N 3.49Å
702	I	91.9	Very high	71.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.7	178.8	-60.4	173.2	0	0	0	108.1	Y678 F682 L704 Y727 V728 A729 I806 M817 L846	Y678-I702 HydrophobicContact CD1-CD1 3.68Å; Y678-I702 HydrophobicContact CE1-CD1 3.92Å; Y678-I702 HydrophobicContact CE1-CG2 4.32Å; F682-I702 HydrophobicContact CE1-CD1 3.77Å; F682-I702 HydrophobicContact CE1-CG1 4.24Å; F682-I702 HydrophobicContact CZ-CD1 3.88Å; F682-I702 HydrophobicContact CZ-CG1 4.39Å; I702-L704 HydrophobicContact CG2-CD2 4.46Å; I702-Y727 WeakPolarHBondContact O-CA 3.43Å; I702-V728 HydrophobicContact CB-CG2 4.19Å; I702-V728 HydrophobicContact CG2-CG2 3.76Å; I702-V728 WeakPolarHBondContact O-CG2 3.34Å; I702-V728 PolarHBondContact O-N 3.06Å; I702-A729 HydrophobicContact CB-CB 4.32Å; I702-A729 HydrophobicContact CD1-CB 4.34Å; I702-A729 PolarHBondContact N-O 3.1Å; I702-I806 HydrophobicContact CG2-CD1 3.86Å; I702-M817 HydrophobicContact CG1-CB 4.45Å; I702-M817 HydrophobicContact CG1-CG 4.01Å; I702-L846 HydrophobicContact CD1-CD2 3.99Å; I702-L846 HydrophobicContact CG2-CD2 4.38Å
703	A	88.4	Confident	68.6	Low	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.1	174.1	0	0	0	0	0	110.1	L725 K726 Y727 G815 V816	A703-L725 HydrophobicContact CB-CB 4.39Å; A703-L725 HydrophobicContact CB-CD2 4.03Å; A703-K726 CarbonylContact C-O 3.56Å; A703-K726 VanDerWaalsContact CA-O 3.26Å; A703-K726 WeakPolarHBondContact CA-O 3.41Å; A703-Y727 HydrophobicContact CB-CD1 3.81Å; A703-Y727 HydrophobicContact CB-CE1 3.98Å; A703-Y727 HydrophobicContact CB-CG 4.47Å; A703-G815 CarbonylContact O-C 3.58Å; A703-G815 WeakPolarHBondContact O-CA 3.39Å; A703-V816 PolarHBondContact N-O 3.09Å; A703-V816 PolarHBondContact O-N 3.13Å
704	L	87.3	Confident	66.4	Low	11 Å²	11	66.9 Å²	66.9	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156.7	174.6	-62.2	-179.6	0	0	0	110.2	I702 Y706 L725 K726 V728 I806 F850	I702-L704 HydrophobicContact CG2-CD2 4.46Å; L704-Y706 HydrophobicContact CB-CD2 4.47Å; L704-Y706 HydrophobicContact CB-CE2 3.83Å; L704-Y706 VanDerWaalsContact O-CD2 3.22Å; L704-Y706 WeakPolarHBondContact O-CD2 3.46Å; L704-L725 WeakPolarHBondContact O-CA 3.48Å; L704-K726 PolarHBondContact N-O 3.01Å; L704-K726 PolarHBondContact O-N 3.21Å; L704-V728 HydrophobicContact CB-CG1 4.09Å; L704-V728 HydrophobicContact CD1-CG1 4.12Å; L704-V728 HydrophobicContact CD1-CG2 3.94Å; L704-V728 HydrophobicContact CG-CG1 4.09Å; L704-V728 HydrophobicContact CG-CG2 3.83Å; L704-I806 HydrophobicContact CD2-CD1 4.01Å; L704-F850 HydrophobicContact CD1-CD2 4.39Å; L704-F850 HydrophobicContact CD1-CE2 4.04Å
705	L	80.4	Confident	64.2	Low	38 Å²	38	70 Å²	70	20%	0.199	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.2	175.4	-75.4	164	0	0	0	110.3	L725 L756 F813 I814	L705-L725 HydrophobicContact CD2-CD2 4.01Å; L705-L725 HydrophobicContact CD2-CG 4.18Å; L705-L725 HydrophobicContact CG-CD2 4.1Å; L705-L756 HydrophobicContact CD1-CD1 4.27Å; L705-L756 HydrophobicContact CD1-CD2 4.42Å; L705-L756 HydrophobicContact CD2-CD1 3.83Å; L705-L756 HydrophobicContact CG-CD1 4.21Å; L705-F813 WeakPolarHBondContact CD1-O 3.38Å; L705-I814 WeakPolarHBondContact CB-O 3.42Å; L705-I814 PolarHBondContact N-O 3.18Å
706	Y	69.3	Low	62.1	Low	62 Å²	62	68 Å²	68	24%	0.243	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.1	174.1	-71.1	-96.6	0	0	0	109.9	L704 S723 C724 K726 V728	L704-Y706 HydrophobicContact CB-CD2 4.47Å; L704-Y706 HydrophobicContact CB-CE2 3.83Å; L704-Y706 VanDerWaalsContact O-CD2 3.22Å; L704-Y706 WeakPolarHBondContact O-CD2 3.46Å; Y706-S723 CarbonylContact O-C 3.52Å; Y706-S723 WeakPolarHBondContact O-CA 3.43Å; Y706-C724 PolarHBondContact N-O 3.28Å; Y706-C724 PolarHBondContact O-N 2.67Å; Y706-K726 HydrophobicContact CD2-CB 3.31Å; Y706-K726 HydrophobicContact CD2-CD 4.16Å; Y706-K726 HydrophobicContact CD2-CG 4.33Å; Y706-K726 HydrophobicContact CE2-CB 3.59Å; Y706-K726 HydrophobicContact CE2-CD 4.15Å; Y706-K726 HydrophobicContact CE2-CG 4.32Å; Y706-K726 HydrophobicContact CG-CB 4.1Å; Y706-K726 HydrophobicContact CG-CD 4.35Å; Y706-V728 HydrophobicContact CE2-CG1 3.63Å; Y706-V728 WeakPolarHBondContact OH-CG1 3.2Å
707	P	57.7	Low	59.9	Low	57 Å²	57	76 Å²	76	37%	0.37	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.7	165.9	29	-30.5	0	0	0	109.2	R579 E709	R579-P707 HydrophobicContact CB-CG 4.05Å; R579-P707 WeakPolarHBondContact O-CD 3.43Å; R579-P707 WeakPolarHBondContact O-CG 3.46Å; P707-E709 PolarHBondContact O-N 2.84Å
708	T	49.2	Very low	57.5	Low	68 Å²	68	76.8 Å²	76.8	42%	0.417	42%	0.42	S	S	.	.			trans	-68.9	128	163.6	34.3	0	0	0	0	108.7	T710 Q722 C724	T708-T710 PolarHBondContact O-N 3.16Å; T708-T710 VanDerWaalsContact O-N 3.17Å; T708-Q722 PolarHBondContact N-O 2.67Å; T708-Q722 PolarHBondContact OG1-O 3.48Å; T708-C724 HydrophobicContact CG2-CB 4.01Å
709	E	43.7	Very low	54.9	Low	148 Å²	148	80.7 Å²	80.7	69%	0.692	45%	0.453	S	S	*	.			trans	-61.3	115.1	158.3	-65.5	179.9	-178	0	0	105.4	P707 T711	P707-E709 PolarHBondContact O-N 2.84Å; E709-T711 PolarHBondContact O-N 3.36Å
710	T	35.7	Very low	52.4	Low	117 Å²	117	86.3 Å²	86.3	72%	0.718	48%	0.483	S	S	*	.			trans	-61.3	93.5	160.9	41.7	0	0	0	0	105.3	T708 N712	T708-T710 PolarHBondContact O-N 3.16Å; T708-T710 VanDerWaalsContact O-N 3.17Å; T710-N712 PolarHBondContact O-N 2.94Å
711	T	33.1	Very low	49.9	Very low	88 Å²	88	90 Å²	90	54%	0.54	51%	0.506	S	S	.	.			trans	-49.4	142.7	159.1	51.2	0	0	0	0	105.9	E709 D713	E709-T711 PolarHBondContact O-N 3.36Å; T711-D713 WeakPolarHBondContact CB-OD2 3.39Å; T711-D713 PolarHBondContact O-N 2.86Å; T711-D713 PolarHBondContact OG1-OD2 3.02Å
712	N	32.8	Very low	48.1	Very low	160 Å²	160	93.8 Å²	93.8	86%	0.856	52%	0.524	S	S	*	.	S	Bend	trans	-63.7	25.2	173.9	-71.9	-38.8	0	0	0	112.9	T710 I714	T710-N712 PolarHBondContact O-N 2.94Å; N712-I714 PolarHBondContact O-N 3.2Å
713	D	31.6	Very low	46.5	Very low	125 Å²	125	95.2 Å²	95.2	67%	0.668	53%	0.534	S	S	*	.			trans	-72.6	84.9	166.9	-64.4	-38.1	0	0	0	108.1	T711 L715	T711-D713 WeakPolarHBondContact CB-OD2 3.39Å; T711-D713 PolarHBondContact O-N 2.86Å; T711-D713 PolarHBondContact OG1-OD2 3.02Å; D713-L715 PolarHBondContact O-N 2.96Å
714	I	30	Very low	45.6	Very low	152 Å²	152	96.4 Å²	96.4	78%	0.779	54%	0.542	S	S	*	.			trans	-34.8	124.7	151.6	-58.4	159.9	0	0	0	107.5	N712	N712-I714 PolarHBondContact O-N 3.2Å
715	L	32.9	Very low	45.2	Very low	165 Å²	165	95.9 Å²	95.9	86%	0.864	54%	0.539	S	S	*	.			trans	120.4	57.8	171.7	-60.8	165.4	0	0	0	115	D713	D713-L715 PolarHBondContact O-N 2.96Å
716	S	29.9	Very low	45.4	Very low	104 Å²	104	96.1 Å²	96.1	73%	0.727	54%	0.538	S	S	*	.			trans	-175.4	104.7	133.5	35.5	0	0	0	0	109.5	D718	S716-D718 PolarHBondContact O-N 3.08Å
717	L	30.3	Very low	46.2	Very low	174 Å²	174	94.2 Å²	94.2	91%	0.911	53%	0.531	S	S	*	.			trans	-76	31.1	177.4	-161	79.2	0	0	0	111.8	A719	L717-A719 VanDerWaalsContact C-N 3.27Å; L717-A719 PolarHBondContact O-N 3.11Å
718	D	30.6	Very low	47.6	Very low	126 Å²	126	93.2 Å²	93.2	67%	0.674	52%	0.523	S	S	*	.			trans	-77.7	89.7	170.7	-84.9	-12.1	0	0	0	107.3	S716 N720	S716-D718 PolarHBondContact O-N 3.08Å; D718-N720 PolarHBondContact O-N 3.23Å
719	A	29.9	Very low	49.5	Very low	94 Å²	94	90.4 Å²	90.4	78%	0.777	51%	0.507	S	S	*	.			trans	-63.3	30	-168.5	0	0	0	0	0	116.8	L717	L717-A719 VanDerWaalsContact C-N 3.27Å; L717-A719 PolarHBondContact O-N 3.11Å
720	N	35.8	Very low	51.7	Low	119 Å²	119	83.9 Å²	83.9	64%	0.636	48%	0.479	S	S	*	.	S	Bend	trans	-115.4	98.5	169.9	-70	-21.3	0	0	0	107.6	D718 Q722	D718-N720 PolarHBondContact O-N 3.23Å; N720-Q722 WeakPolarHBondContact O-CG 3.45Å; N720-Q722 PolarHBondContact O-N 3.46Å
721	T	38.2	Very low	54.2	Low	77 Å²	77	80.5 Å²	80.5	47%	0.472	46%	0.456	S	S	.	.			trans	-44.5	109.6	172.6	50.6	0	0	0	0	110	Q583 S723	Q583-T721 PolarHBondContact OE1-OG1 3.49Å; T721-S723 PolarHBondContact O-N 3.02Å
722	Q	51.5	Low	56.7	Low	84 Å²	84	78.2 Å²	78.2	39%	0.393	44%	0.443	S	S	.	.			trans	-86.4	113	-161.3	-60.3	-173.9	3.1	0	0	110.6	T708 N720 C724	T708-Q722 PolarHBondContact N-O 2.67Å; T708-Q722 PolarHBondContact OG1-O 3.48Å; N720-Q722 WeakPolarHBondContact O-CG 3.45Å; N720-Q722 PolarHBondContact O-N 3.46Å; Q722-C724 PolarHBondContact O-N 2.94Å
723	S	57.9	Low	59.1	Low	30 Å²	30	78 Å²	78	21%	0.21	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.2	167.6	-43.8	0	0	0	0	109.6	L584 Y706 T721	L584-S723 WeakPolarHBondContact CD1-OG 3.38Å; Y706-S723 CarbonylContact O-C 3.52Å; Y706-S723 WeakPolarHBondContact O-CA 3.43Å; T721-S723 PolarHBondContact O-N 3.02Å
724	C	70.3	Confident	61.6	Low	25 Å²	25	75.6 Å²	75.6	17%	0.169	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	153.6	166.9	62.6	0	0	0	0	109.9	Y706 T708 Q722	Y706-C724 PolarHBondContact N-O 3.28Å; Y706-C724 PolarHBondContact O-N 2.67Å; T708-C724 HydrophobicContact CG2-CB 4.01Å; Q722-C724 PolarHBondContact O-N 2.94Å
725	L	78.4	Confident	63.9	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.8	165	-83.4	166.5	0	0	0	107.7	A703 L704 L705 C743 P744 L752 F753 L756	A703-L725 HydrophobicContact CB-CB 4.39Å; A703-L725 HydrophobicContact CB-CD2 4.03Å; L704-L725 WeakPolarHBondContact O-CA 3.48Å; L705-L725 HydrophobicContact CD2-CD2 4.01Å; L705-L725 HydrophobicContact CD2-CG 4.18Å; L705-L725 HydrophobicContact CG-CD2 4.1Å; L725-C743 VanDerWaalsContact O-CA 3.25Å; L725-C743 WeakPolarHBondContact O-CA 3.49Å; L725-C743 WeakPolarHBondContact O-CB 3.49Å; L725-C743 PolarHBondContact O-SG 2.86Å; L725-P744 HydrophobicContact CB-CG 4.1Å; L725-P744 WeakPolarHBondContact O-CD 3.27Å; L725-L752 HydrophobicContact CD1-CB 3.71Å; L725-L752 HydrophobicContact CD1-CD1 4.46Å; L725-F753 HydrophobicContact CB-CZ 4.35Å; L725-F753 HydrophobicContact CD1-CD1 4.24Å; L725-F753 HydrophobicContact CD1-CD2 4.48Å; L725-F753 HydrophobicContact CD1-CE1 4.07Å; L725-F753 HydrophobicContact CD1-CE2 4.32Å; L725-F753 HydrophobicContact CD1-CG 4.45Å; L725-F753 HydrophobicContact CD1-CZ 4.11Å; L725-F753 HydrophobicContact CG-CE1 4.31Å; L725-F753 HydrophobicContact CG-CZ 4.39Å; L725-L756 HydrophobicContact CD1-CD1 3.86Å; L725-L756 HydrophobicContact CD2-CD1 4.05Å; L725-L756 HydrophobicContact CG-CD1 4.13Å
726	K	84.8	Confident	66.3	Low	43 Å²	43	63 Å²	63	19%	0.187	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.9	173.9	-170.5	-177.1	173	-170.7	0	108.9	A703 L704 Y706 V728 D741	A703-K726 CarbonylContact C-O 3.56Å; A703-K726 VanDerWaalsContact CA-O 3.26Å; A703-K726 WeakPolarHBondContact CA-O 3.41Å; L704-K726 PolarHBondContact N-O 3.01Å; L704-K726 PolarHBondContact O-N 3.21Å; Y706-K726 HydrophobicContact CD2-CB 3.31Å; Y706-K726 HydrophobicContact CD2-CD 4.16Å; Y706-K726 HydrophobicContact CD2-CG 4.33Å; Y706-K726 HydrophobicContact CE2-CB 3.59Å; Y706-K726 HydrophobicContact CE2-CD 4.15Å; Y706-K726 HydrophobicContact CE2-CG 4.32Å; Y706-K726 HydrophobicContact CG-CB 4.1Å; Y706-K726 HydrophobicContact CG-CD 4.35Å; K726-V728 PolarHBondContact O-N 2.76Å; K726-D741 WeakPolarHBondContact CE-OD1 3.32Å; K726-D741 IonicContact NZ-OD1 3.12Å; K726-D741 PolarHBondContact NZ-OD1 3.22Å
727	Y	86.3	Confident	68.7	Low	22 Å²	22	65.7 Å²	65.7	9%	0.086	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.8	175.7	-69.8	-71.3	0	0	0	110.7	N701 I702 A703 L739 D741 Q742 P744 L752	N701-Y727 HydrophobicContact CB-CD1 3.96Å; N701-Y727 HydrophobicContact CB-CE1 3.73Å; I702-Y727 WeakPolarHBondContact O-CA 3.43Å; A703-Y727 HydrophobicContact CB-CD1 3.81Å; A703-Y727 HydrophobicContact CB-CE1 3.98Å; A703-Y727 HydrophobicContact CB-CG 4.47Å; Y727-L739 WeakPolarHBondContact CB-O 3.11Å; Y727-L739 HydrophobicContact CD2-CB 4.18Å; Y727-L739 HydrophobicContact CD2-CD2 4.37Å; Y727-L739 HydrophobicContact CE2-CD2 4.12Å; Y727-L739 HydrophobicContact CG-CB 4.35Å; Y727-D741 PolarHBondContact O-N 3.33Å; Y727-Q742 PolarHBondContact N-O 3.25Å; Y727-P744 HydrophobicContact CD2-CG 4.34Å; Y727-P744 HydrophobicContact CE2-CG 3.66Å; Y727-L752 HydrophobicContact CE1-CD1 4.41Å; Y727-L752 WeakPolarHBondContact OH-CD1 3.27Å
728	V	86.1	Confident	71	Confident	35 Å²	35	62.5 Å²	62.5	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-23.9	-175.3	-58.6	0	0	0	0	113.2	Y678 I702 L704 Y706 K726 L740	Y678-V728 HydrophobicContact CE2-CG2 4.43Å; I702-V728 HydrophobicContact CB-CG2 4.19Å; I702-V728 HydrophobicContact CG2-CG2 3.76Å; I702-V728 WeakPolarHBondContact O-CG2 3.34Å; I702-V728 PolarHBondContact O-N 3.06Å; L704-V728 HydrophobicContact CB-CG1 4.09Å; L704-V728 HydrophobicContact CD1-CG1 4.12Å; L704-V728 HydrophobicContact CD1-CG2 3.94Å; L704-V728 HydrophobicContact CG-CG1 4.09Å; L704-V728 HydrophobicContact CG-CG2 3.83Å; Y706-V728 HydrophobicContact CE2-CG1 3.63Å; Y706-V728 WeakPolarHBondContact OH-CG1 3.2Å; K726-V728 PolarHBondContact O-N 2.76Å; V728-L740 VanDerWaalsContact C-CD2 3.49Å
729	A	90.4	Very high	73.4	Confident	9 Å²	9	58.1 Å²	58.1	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.7	178.9	0	0	0	0	0	109.2	Y678 F682 I702	Y678-A729 HydrophobicContact CD1-CB 4.28Å; Y678-A729 HydrophobicContact CD2-CB 3.94Å; Y678-A729 HydrophobicContact CE2-CB 4.24Å; Y678-A729 HydrophobicContact CG-CB 3.97Å; F682-A729 HydrophobicContact CE2-CB 3.93Å; F682-A729 HydrophobicContact CZ-CB 3.68Å; I702-A729 HydrophobicContact CB-CB 4.32Å; I702-A729 HydrophobicContact CD1-CB 4.34Å; I702-A729 PolarHBondContact N-O 3.1Å
730	A	88.9	Confident	75.7	Confident	11 Å²	11	57.1 Å²	57.1	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150	179.8	0	0	0	0	0	111.7	I700 N701 A736	I700-A730 CarbonylContact O-C 3.59Å; I700-A730 VanDerWaalsContact O-CA 3.24Å; I700-A730 WeakPolarHBondContact O-CA 3.42Å; N701-A730 WeakPolarHBondContact OD1-CB 3.47Å; A730-A736 HydrophobicContact CB-CB 3.93Å
731	I	89.2	Confident	77.6	Confident	47 Å²	47	56.9 Å²	56.9	24%	0.241	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.9	169.6	-74.3	-168.5	0	0	0	108	F682 I686 S699 I700	F682-I731 HydrophobicContact CB-CD1 3.47Å; F682-I731 VanDerWaalsContact CB-CD1 3.47Å; F682-I731 HydrophobicContact CD1-CD1 4.25Å; F682-I731 HydrophobicContact CD1-CG1 4.5Å; F682-I731 HydrophobicContact CD2-CD1 3.35Å; F682-I731 HydrophobicContact CD2-CG1 3.7Å; F682-I731 HydrophobicContact CE2-CD1 4.1Å; F682-I731 HydrophobicContact CE2-CG1 3.91Å; F682-I731 HydrophobicContact CG-CD1 3.43Å; F682-I731 VanDerWaalsContact CG-CD1 3.43Å; F682-I731 HydrophobicContact CG-CG1 4.01Å; F682-I731 HydrophobicContact CZ-CG1 4.42Å; I686-I731 HydrophobicContact CD1-CD1 4.4Å; I686-I731 HydrophobicContact CD1-CG2 4.34Å; S699-I731 CarbonylContact C-O 3.41Å; S699-I731 WeakPolarHBondContact CA-O 3.15Å; S699-I731 WeakPolarHBondContact CB-O 3.46Å; I700-I731 PolarHBondContact N-O 3.41Å; I700-I731 PolarHBondContact O-N 3.47Å
732	P	85.1	Confident	79.4	Confident	40 Å²	40	57.8 Å²	57.8	26%	0.26	30%	0.304	S	S	.	.	S	Bend	cis	-73.7	167.2	3.6	30.7	-35.9	0	0	0	113.8	S699 S734 E735 A736	S699-P732 VanDerWaalsContact CB-CD 3.49Å; P732-S734 PolarHBondContact O-N 3.13Å; P732-S734 VanDerWaalsContact O-N 3.13Å; P732-E735 HydrophobicContact CG-CG 4.34Å; P732-E735 PolarHBondContact O-N 3.37Å; P732-A736 PolarHBondContact O-N 2.99Å; P732-A736 VanDerWaalsContact O-N 3.09Å
733	E	82.4	Confident	80.2	Confident	154 Å²	154	57.1 Å²	57.1	72%	0.72	31%	0.307	S	S	*	.	H	α-helix	trans	-53	-35	-179.6	-169.5	169.2	-163.1	0	0	112.6	E735 A736 E737	E733-E735 VanDerWaalsContact C-N 3.31Å; E733-E735 PolarHBondContact O-N 2.78Å; E733-A736 WeakPolarHBondContact O-CB 3.23Å; E733-A736 PolarHBondContact O-N 2.73Å; E733-A736 VanDerWaalsContact O-N 3.09Å; E733-E737 PolarHBondContact O-N 2.98Å
734	S	83.7	Confident	80.6	Confident	75 Å²	75	56.6 Å²	56.6	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-30.9	174.5	60.8	0	0	0	0	114.5	P732 I738	P732-S734 PolarHBondContact O-N 3.13Å; P732-S734 VanDerWaalsContact O-N 3.13Å; S734-I738 WeakPolarHBondContact O-CD1 3.5Å
735	E	80.2	Confident	80.3	Confident	43 Å²	43	63.6 Å²	63.6	20%	0.201	33%	0.334	C	S	.	.	H	α-helix	trans	-80.8	-35.3	171.7	-76.3	-168.6	-151.7	0	0	110.7	S699 N701 P732 E733 I738 L739	S699-E735 VanDerWaalsContact CB-CD 3.48Å; S699-E735 WeakPolarHBondContact CB-OE1 3.12Å; S699-E735 PolarHBondContact OG-OE1 3.13Å; S699-E735 PolarHBondContact OG-OE2 3.41Å; N701-E735 PolarHBondContact ND2-OE2 3.23Å; N701-E735 PolarHBondContact OD1-OE2 3.33Å; P732-E735 HydrophobicContact CG-CG 4.34Å; P732-E735 PolarHBondContact O-N 3.37Å; E733-E735 VanDerWaalsContact C-N 3.31Å; E733-E735 PolarHBondContact O-N 2.78Å; E735-I738 PolarHBondContact O-N 3.39Å; E735-I738 VanDerWaalsContact O-N 3.16Å; E735-L739 HydrophobicContact CB-CD1 4.22Å; E735-L739 WeakPolarHBondContact O-CB 3.2Å; E735-L739 WeakPolarHBondContact O-CG 3.47Å; E735-L739 PolarHBondContact O-N 3.01Å
736	A	82.2	Confident	79.2	Confident	11 Å²	11	69.8 Å²	69.8	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-43.8	179.8	0	0	0	0	0	112.6	A730 P732 E733 I738 L739 L740	A730-A736 HydrophobicContact CB-CB 3.93Å; P732-A736 PolarHBondContact O-N 2.99Å; P732-A736 VanDerWaalsContact O-N 3.09Å; E733-A736 WeakPolarHBondContact O-CB 3.23Å; E733-A736 PolarHBondContact O-N 2.73Å; E733-A736 VanDerWaalsContact O-N 3.09Å; A736-I738 PolarHBondContact O-N 3.45Å; A736-I738 VanDerWaalsContact O-N 3.1Å; A736-L739 PolarHBondContact O-N 3.22Å; A736-L740 HydrophobicContact CB-CD1 3.97Å; A736-L740 HydrophobicContact CB-CG 4.21Å; A736-L740 VanDerWaalsContact O-CB 3.28Å; A736-L740 WeakPolarHBondContact O-CB 3.45Å; A736-L740 WeakPolarHBondContact O-CG 3.24Å; A736-L740 PolarHBondContact O-N 3.48Å
737	E	79.5	Confident	77.9	Confident	159 Å²	159	72 Å²	72	74%	0.743	37%	0.371	S	S	*	.	H	α-helix	trans	-56.8	-27	175.6	-72.7	179.7	-177	0	0	113.3	E733	E733-E737 PolarHBondContact O-N 2.98Å
738	I	79.6	Confident	76.2	Confident	108 Å²	108	80.1 Å²	80.1	55%	0.554	41%	0.41	S	S	*	.	H	α-helix	trans	-93.8	-48.3	-178.4	-56.3	171.2	0	0	0	110.3	S734 E735 A736 Q742	S734-I738 WeakPolarHBondContact O-CD1 3.5Å; E735-I738 PolarHBondContact O-N 3.39Å; E735-I738 VanDerWaalsContact O-N 3.16Å; A736-I738 PolarHBondContact O-N 3.45Å; A736-I738 VanDerWaalsContact O-N 3.1Å; I738-Q742 WeakPolarHBondContact O-CG 3.44Å; I738-Q742 PolarHBondContact O-NE2 3.37Å
739	L	80.2	Confident	74.7	Confident	33 Å²	33	82.9 Å²	82.9	17%	0.173	43%	0.431	C	S	.	.	H	α-helix	trans	-86.4	-28.6	-167.2	-68.5	175.7	0	0	0	114.3	N701 Y727 E735 A736 D741 Q742	N701-L739 VanDerWaalsContact ND2-CD1 3.29Å; N701-L739 WeakPolarHBondContact ND2-CD1 3.29Å; Y727-L739 WeakPolarHBondContact CB-O 3.11Å; Y727-L739 HydrophobicContact CD2-CB 4.18Å; Y727-L739 HydrophobicContact CD2-CD2 4.37Å; Y727-L739 HydrophobicContact CE2-CD2 4.12Å; Y727-L739 HydrophobicContact CG-CB 4.35Å; E735-L739 HydrophobicContact CB-CD1 4.22Å; E735-L739 WeakPolarHBondContact O-CB 3.2Å; E735-L739 WeakPolarHBondContact O-CG 3.47Å; E735-L739 PolarHBondContact O-N 3.01Å; A736-L739 PolarHBondContact O-N 3.22Å; L739-D741 PolarHBondContact O-N 3.33Å; L739-Q742 VanDerWaalsContact O-CB 3.26Å; L739-Q742 WeakPolarHBondContact O-CB 3.29Å; L739-Q742 PolarHBondContact O-N 2.56Å
740	L	79.2	Confident	73.7	Confident	73 Å²	73	84 Å²	84	38%	0.382	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.3	-176.3	-72.5	175.1	0	0	0	110.6	V728 A736 Q742	V728-L740 VanDerWaalsContact C-CD2 3.49Å; A736-L740 HydrophobicContact CB-CD1 3.97Å; A736-L740 HydrophobicContact CB-CG 4.21Å; A736-L740 VanDerWaalsContact O-CB 3.28Å; A736-L740 WeakPolarHBondContact O-CB 3.45Å; A736-L740 WeakPolarHBondContact O-CG 3.24Å; A736-L740 PolarHBondContact O-N 3.48Å; L740-Q742 PolarHBondContact O-N 2.8Å; L740-Q742 VanDerWaalsContact O-N 3.08Å
741	D	75.4	Confident	72.8	Confident	114 Å²	114	84.1 Å²	84.1	61%	0.61	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	0.9	-173.4	-61.4	-50.3	0	0	0	117.1	K726 Y727 L739	K726-D741 WeakPolarHBondContact CE-OD1 3.32Å; K726-D741 IonicContact NZ-OD1 3.12Å; K726-D741 PolarHBondContact NZ-OD1 3.22Å; Y727-D741 PolarHBondContact O-N 3.33Å; L739-D741 PolarHBondContact O-N 3.33Å
742	Q	76.8	Confident	72.2	Confident	96 Å²	96	82 Å²	82	45%	0.449	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-79.7	144.1	172.8	-59.4	-165.5	-10.1	0	0	112.1	Y727 I738 L739 L740	Y727-Q742 PolarHBondContact N-O 3.25Å; I738-Q742 WeakPolarHBondContact O-CG 3.44Å; I738-Q742 PolarHBondContact O-NE2 3.37Å; L739-Q742 VanDerWaalsContact O-CB 3.26Å; L739-Q742 WeakPolarHBondContact O-CB 3.29Å; L739-Q742 PolarHBondContact O-N 2.56Å; L740-Q742 PolarHBondContact O-N 2.8Å; L740-Q742 VanDerWaalsContact O-N 3.08Å
743	C	66.9	Low	71.9	Confident	70 Å²	70	81.9 Å²	81.9	47%	0.473	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-98.4	121.7	171.8	-66.9	0	0	0	0	110	L725 Q745	L725-C743 VanDerWaalsContact O-CA 3.25Å; L725-C743 WeakPolarHBondContact O-CA 3.49Å; L725-C743 WeakPolarHBondContact O-CB 3.49Å; L725-C743 PolarHBondContact O-SG 2.86Å; C743-Q745 PolarHBondContact O-N 3.47Å
744	P	66.2	Low	71.5	Confident	20 Å²	20	80.2 Å²	80.2	13%	0.13	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-58	136.5	175	-17.8	29	0	0	0	110.7	L725 Y727 R746 L752	L725-P744 HydrophobicContact CB-CG 4.1Å; L725-P744 WeakPolarHBondContact O-CD 3.27Å; Y727-P744 HydrophobicContact CD2-CG 4.34Å; Y727-P744 HydrophobicContact CE2-CG 3.66Å; P744-R746 PolarHBondContact O-N 2.89Å; P744-L752 HydrophobicContact CB-CD1 4.12Å; P744-L752 HydrophobicContact CG-CD1 3.73Å
745	Q	64.4	Low	71.1	Confident	172 Å²	172	76.6 Å²	76.6	80%	0.804	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-60.1	134.3	174.1	-76.7	-166	-9.1	0	0	110.7	C743 D747 N750	C743-Q745 PolarHBondContact O-N 3.47Å; Q745-D747 VanDerWaalsContact C-N 3.27Å; Q745-D747 PolarHBondContact O-N 3.28Å; Q745-N750 PolarHBondContact O-ND2 2.88Å
746	R	54.7	Low	70.8	Confident	130 Å²	130	74.8 Å²	74.8	49%	0.491	38%	0.376	S	S	.	.			trans	-81.2	73.8	-179.5	-157.3	178.5	-166.6	-176.5	3	109.9	P744 F753	P744-R746 PolarHBondContact O-N 2.89Å; R746-F753 HydrophobicContact CB-CE2 4.1Å; R746-F753 HydrophobicContact CB-CZ 4.25Å; R746-F753 HydrophobicContact CG-CD1 4.42Å; R746-F753 HydrophobicContact CG-CD2 4.23Å; R746-F753 HydrophobicContact CG-CE1 4.16Å; R746-F753 HydrophobicContact CG-CE2 3.95Å; R746-F753 HydrophobicContact CG-CG 4.45Å; R746-F753 HydrophobicContact CG-CZ 3.91Å
747	D	59.1	Low	70.3	Confident	90 Å²	90	83.9 Å²	83.9	48%	0.481	41%	0.408	S	S	.	.			trans	-88.2	140.1	165.6	-169.8	-25.1	0	0	0	108.3	Q745 S749 N750	Q745-D747 VanDerWaalsContact C-N 3.27Å; Q745-D747 PolarHBondContact O-N 3.28Å; D747-S749 PolarHBondContact O-N 2.94Å; D747-S749 VanDerWaalsContact O-N 3.12Å; D747-S749 WeakPolarHBondContact OD1-CB 3.45Å; D747-S749 PolarHBondContact OD1-N 2.85Å; D747-S749 PolarHBondContact OD1-OG 3.13Å; D747-N750 HydrophobicContact CB-CB 4.34Å; D747-N750 WeakPolarHBondContact O-CB 3.41Å; D747-N750 PolarHBondContact O-N 3.07Å
748	E	50.5	Low	69.8	Low	193 Å²	193	79.2 Å²	79.2	90%	0.902	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25	170.7	-65.6	-168.5	153.5	0	0	111.9	N750	E748-N750 VanDerWaalsContact C-N 3.31Å
749	S	53.7	Low	69.3	Low	93 Å²	93	74.4 Å²	74.4	65%	0.65	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10	175.5	-44.2	0	0	0	0	113.5	D747 L751	D747-S749 PolarHBondContact O-N 2.94Å; D747-S749 VanDerWaalsContact O-N 3.12Å; D747-S749 WeakPolarHBondContact OD1-CB 3.45Å; D747-S749 PolarHBondContact OD1-N 2.85Å; D747-S749 PolarHBondContact OD1-OG 3.13Å; S749-L751 PolarHBondContact O-N 2.98Å
750	N	69	Low	69	Low	32 Å²	32	76.4 Å²	76.4	17%	0.171	38%	0.378	C	S	.	.			trans	-69.8	118.2	-175.6	-172.5	-37	0	0	0	110.8	Q745 D747 E748 L752 F753 K754	Q745-N750 PolarHBondContact O-ND2 2.88Å; D747-N750 HydrophobicContact CB-CB 4.34Å; D747-N750 WeakPolarHBondContact O-CB 3.41Å; D747-N750 PolarHBondContact O-N 3.07Å; E748-N750 VanDerWaalsContact C-N 3.31Å; N750-L752 PolarHBondContact O-N 3.24Å; N750-L752 VanDerWaalsContact O-N 3.13Å; N750-L752 WeakPolarHBondContact OD1-CB 3.47Å; N750-L752 PolarHBondContact OD1-N 2.88Å; N750-F753 HydrophobicContact CB-CD2 3.98Å; N750-F753 PolarHBondContact O-N 3.39Å; N750-K754 PolarHBondContact O-N 2.92Å; N750-K754 VanDerWaalsContact O-N 3.1Å
751	L	70	Confident	68.9	Low	13 Å²	13	74.6 Å²	74.6	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-51.4	-37.2	-178.5	-174.7	64.3	0	0	0	113.2	S749 C755 L762 H764 A801 A803	S749-L751 PolarHBondContact O-N 2.98Å; L751-C755 VanDerWaalsContact O-CB 3.23Å; L751-C755 WeakPolarHBondContact O-CB 3.25Å; L751-C755 PolarHBondContact O-N 3.06Å; L751-L762 HydrophobicContact CD1-CB 3.61Å; L751-L762 HydrophobicContact CD1-CD1 3.92Å; L751-L762 HydrophobicContact CD1-CG 4.44Å; L751-H764 HydrophobicContact CD1-CB 3.72Å; L751-H764 HydrophobicContact CD2-CB 3.97Å; L751-H764 HydrophobicContact CG-CB 4.42Å; L751-A801 HydrophobicContact CD2-CB 3.82Å; L751-A803 HydrophobicContact CD1-CB 4.41Å; L751-A803 HydrophobicContact CD2-CB 3.77Å; L751-A803 HydrophobicContact CG-CB 3.69Å
752	L	78.4	Confident	68.9	Low	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-47.4	-175.7	-56.3	174.9	0	0	0	111.9	L725 Y727 P744 N750 K754 C755 L756 V816 K818	L725-L752 HydrophobicContact CD1-CB 3.71Å; L725-L752 HydrophobicContact CD1-CD1 4.46Å; Y727-L752 HydrophobicContact CE1-CD1 4.41Å; Y727-L752 WeakPolarHBondContact OH-CD1 3.27Å; P744-L752 HydrophobicContact CB-CD1 4.12Å; P744-L752 HydrophobicContact CG-CD1 3.73Å; N750-L752 PolarHBondContact O-N 3.24Å; N750-L752 VanDerWaalsContact O-N 3.13Å; N750-L752 WeakPolarHBondContact OD1-CB 3.47Å; N750-L752 PolarHBondContact OD1-N 2.88Å; L752-K754 VanDerWaalsContact C-N 3.33Å; L752-K754 PolarHBondContact O-N 3.18Å; L752-C755 WeakPolarHBondContact O-CB 3.48Å; L752-C755 PolarHBondContact O-N 2.77Å; L752-L756 PolarHBondContact O-N 2.85Å; L752-V816 HydrophobicContact CD2-CB 4.09Å; L752-V816 HydrophobicContact CD2-CG1 3.63Å; L752-K818 HydrophobicContact CD2-CB 4.07Å; L752-K818 HydrophobicContact CD2-CD 4.49Å; L752-K818 HydrophobicContact CD2-CG 4.41Å
753	F	77	Confident	68.3	Low	37 Å²	37	69.1 Å²	69.1	16%	0.162	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-36	177.7	-71.6	-76.9	0	0	0	111.4	L725 R746 N750 R757	L725-F753 HydrophobicContact CB-CZ 4.35Å; L725-F753 HydrophobicContact CD1-CD1 4.24Å; L725-F753 HydrophobicContact CD1-CD2 4.48Å; L725-F753 HydrophobicContact CD1-CE1 4.07Å; L725-F753 HydrophobicContact CD1-CE2 4.32Å; L725-F753 HydrophobicContact CD1-CG 4.45Å; L725-F753 HydrophobicContact CD1-CZ 4.11Å; L725-F753 HydrophobicContact CG-CE1 4.31Å; L725-F753 HydrophobicContact CG-CZ 4.39Å; R746-F753 HydrophobicContact CB-CE2 4.1Å; R746-F753 HydrophobicContact CB-CZ 4.25Å; R746-F753 HydrophobicContact CG-CD1 4.42Å; R746-F753 HydrophobicContact CG-CD2 4.23Å; R746-F753 HydrophobicContact CG-CE1 4.16Å; R746-F753 HydrophobicContact CG-CE2 3.95Å; R746-F753 HydrophobicContact CG-CG 4.45Å; R746-F753 HydrophobicContact CG-CZ 3.91Å; N750-F753 HydrophobicContact CB-CD2 3.98Å; N750-F753 PolarHBondContact O-N 3.39Å; F753-R757 WeakPolarHBondContact O-CB 3.23Å; F753-R757 PolarHBondContact O-N 3.19Å
754	K	73.9	Confident	68.2	Low	118 Å²	118	70.3 Å²	70.3	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-41.2	172.6	-168.8	179.1	178.5	175.3	0	111.8	N750 L752 R757 T758 L762	N750-K754 PolarHBondContact O-N 2.92Å; N750-K754 VanDerWaalsContact O-N 3.1Å; L752-K754 VanDerWaalsContact C-N 3.33Å; L752-K754 PolarHBondContact O-N 3.18Å; K754-R757 PolarHBondContact O-N 3.13Å; K754-T758 HydrophobicContact CG-CG2 4.46Å; K754-T758 WeakPolarHBondContact O-CB 3.42Å; K754-T758 WeakPolarHBondContact O-CG2 3.14Å; K754-T758 PolarHBondContact O-N 2.86Å; K754-T758 PolarHBondContact O-OG1 3.32Å; K754-L762 HydrophobicContact CB-CD1 3.9Å; K754-L762 HydrophobicContact CD-CD1 4.01Å; K754-L762 HydrophobicContact CG-CD1 3.73Å
755	C	76.2	Confident	67.6	Low	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-50.9	176.5	-179.3	0	0	0	0	111.2	L751 L752 R757 T758 G759 L760 L762 A803 P805 V816	L751-C755 VanDerWaalsContact O-CB 3.23Å; L751-C755 WeakPolarHBondContact O-CB 3.25Å; L751-C755 PolarHBondContact O-N 3.06Å; L752-C755 WeakPolarHBondContact O-CB 3.48Å; L752-C755 PolarHBondContact O-N 2.77Å; C755-R757 VanDerWaalsContact C-N 3.35Å; C755-R757 PolarHBondContact O-N 3.22Å; C755-T758 PolarHBondContact O-N 2.8Å; C755-T758 PolarHBondContact O-OG1 2.75Å; C755-G759 WeakPolarHBondContact O-CA 3.39Å; C755-G759 PolarHBondContact O-N 3.17Å; C755-L760 PolarHBondContact SG-O 2.65Å; C755-L762 HydrophobicContact CB-CD1 3.95Å; C755-L762 HydrophobicContact CB-CG 4.31Å; C755-A803 HydrophobicContact CB-CB 4.04Å; C755-P805 WeakPolarHBondContact SG-CD 3.45Å; C755-V816 HydrophobicContact CB-CG1 4.3Å; C755-V816 HydrophobicContact CB-CG2 4.45Å
756	L	74.8	Confident	66.8	Low	5 Å²	5	66.8 Å²	66.8	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-45.8	174.3	-72.9	176.8	0	0	0	112.5	L587 L705 L725 L752 T758 G759 F813 G815 V816	L587-L756 HydrophobicContact CD1-CB 3.99Å; L705-L756 HydrophobicContact CD1-CD1 4.27Å; L705-L756 HydrophobicContact CD1-CD2 4.42Å; L705-L756 HydrophobicContact CD2-CD1 3.83Å; L705-L756 HydrophobicContact CG-CD1 4.21Å; L725-L756 HydrophobicContact CD1-CD1 3.86Å; L725-L756 HydrophobicContact CD2-CD1 4.05Å; L725-L756 HydrophobicContact CG-CD1 4.13Å; L752-L756 PolarHBondContact O-N 2.85Å; L756-T758 VanDerWaalsContact C-N 3.31Å; L756-T758 PolarHBondContact O-N 2.77Å; L756-G759 PolarHBondContact O-N 2.88Å; L756-F813 HydrophobicContact CD2-CB 3.89Å; L756-G815 WeakPolarHBondContact CD2-O 3.41Å; L756-V816 HydrophobicContact CD1-CG2 4.17Å; L756-V816 HydrophobicContact CD2-CG2 3.54Å; L756-V816 HydrophobicContact CG-CG2 3.43Å; L756-V816 VanDerWaalsContact CG-CG2 3.43Å
757	R	71.1	Confident	66	Low	201 Å²	201	66.3 Å²	66.3	76%	0.758	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-38.2	-177	-173.9	173.9	173.4	174.5	-1	112.8	L587 F753 K754 C755	L587-R757 HydrophobicContact CD2-CB 4.37Å; L587-R757 HydrophobicContact CD2-CG 4.32Å; F753-R757 WeakPolarHBondContact O-CB 3.23Å; F753-R757 PolarHBondContact O-N 3.19Å; K754-R757 PolarHBondContact O-N 3.13Å; C755-R757 VanDerWaalsContact C-N 3.35Å; C755-R757 PolarHBondContact O-N 3.22Å
758	T	69.2	Low	64.9	Low	62 Å²	62	64.8 Å²	64.8	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-86.2	-23	-178.5	56.8	0	0	0	0	112.7	K754 C755 L756 L760	K754-T758 HydrophobicContact CG-CG2 4.46Å; K754-T758 WeakPolarHBondContact O-CB 3.42Å; K754-T758 WeakPolarHBondContact O-CG2 3.14Å; K754-T758 PolarHBondContact O-N 2.86Å; K754-T758 PolarHBondContact O-OG1 3.32Å; C755-T758 PolarHBondContact O-N 2.8Å; C755-T758 PolarHBondContact O-OG1 2.75Å; L756-T758 VanDerWaalsContact C-N 3.31Å; L756-T758 PolarHBondContact O-N 2.77Å; T758-L760 PolarHBondContact O-N 3.05Å; T758-L760 PolarHBondContact OG1-N 2.89Å
759	G	68.1	Low	64.1	Low	7 Å²	7	60.8 Å²	60.8	7%	0.072	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	11.5	-168.7	0	0	0	0	0	113.9	C755 L756	C755-G759 WeakPolarHBondContact O-CA 3.39Å; C755-G759 PolarHBondContact O-N 3.17Å; L756-G759 PolarHBondContact O-N 2.88Å
760	L	73.6	Confident	63	Low	74 Å²	74	64.1 Å²	64.1	39%	0.387	33%	0.333	S	S	.	.	S	Bend	trans	-104.8	147.5	-175.2	-62.3	176.2	0	0	0	110.9	K595 C755 T758 L762	K595-L760 HydrophobicContact CD-CD1 4.49Å; C755-L760 PolarHBondContact SG-O 2.65Å; T758-L760 PolarHBondContact O-N 3.05Å; T758-L760 PolarHBondContact OG1-N 2.89Å; L760-L762 HydrophobicContact CB-CD2 4.35Å; L760-L762 PolarHBondContact O-N 2.87Å
761	T	77.6	Confident	61.1	Low	36 Å²	36	70.7 Å²	70.7	22%	0.221	36%	0.36	C	S	.	.			trans	-66.9	123	165.6	-59.5	0	0	0	0	109.3	L802 A803 I804 I836 R840	T761-L802 HydrophobicContact CG2-CD1 3.46Å; T761-L802 VanDerWaalsContact CG2-CD1 3.46Å; T761-L802 HydrophobicContact CG2-CG 4.43Å; T761-A803 CarbonylContact C-O 3.6Å; T761-A803 WeakPolarHBondContact CA-O 3.37Å; T761-I804 HydrophobicContact CG2-CG1 3.95Å; T761-I836 HydrophobicContact CG2-CG2 3.96Å; T761-R840 WeakPolarHBondContact OG1-CD 3.32Å; T761-R840 PolarHBondContact OG1-NE 2.85Å
762	L	75.4	Confident	59	Low	32 Å²	32	81.4 Å²	81.4	17%	0.168	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.2	-177.1	-59.9	-179.1	0	0	0	111	L751 K754 C755 L760 L802 A803	L751-L762 HydrophobicContact CD1-CB 3.61Å; L751-L762 HydrophobicContact CD1-CD1 3.92Å; L751-L762 HydrophobicContact CD1-CG 4.44Å; K754-L762 HydrophobicContact CB-CD1 3.9Å; K754-L762 HydrophobicContact CD-CD1 4.01Å; K754-L762 HydrophobicContact CG-CD1 3.73Å; C755-L762 HydrophobicContact CB-CD1 3.95Å; C755-L762 HydrophobicContact CB-CG 4.31Å; L760-L762 HydrophobicContact CB-CD2 4.35Å; L760-L762 PolarHBondContact O-N 2.87Å; L762-L802 CarbonylContact O-C 3.39Å; L762-L802 WeakPolarHBondContact O-CA 3.47Å; L762-A803 PolarHBondContact N-O 3.46Å; L762-A803 PolarHBondContact O-N 3.02Å
763	V	65.6	Low	56.5	Low	63 Å²	63	90.3 Å²	90.3	38%	0.382	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	171.1	-175	0	0	0	0	108.1	A801 L802 I836	V763-A801 WeakPolarHBondContact CA-O 3.32Å; V763-L802 HydrophobicContact CG2-CD1 3.72Å; V763-I836 HydrophobicContact CG2-CD1 4.3Å
764	H	64.4	Low	54.2	Low	95 Å²	95	93 Å²	93	44%	0.44	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.5	-179.1	-161	64.9	0	0	0	111.8	L751 F800 A801	L751-H764 HydrophobicContact CD1-CB 3.72Å; L751-H764 HydrophobicContact CD2-CB 3.97Å; L751-H764 HydrophobicContact CG-CB 4.42Å; H764-F800 WeakPolarHBondContact O-CA 3.1Å; H764-A801 PolarHBondContact N-O 3.24Å; H764-A801 PolarHBondContact O-N 2.81Å
765	S	53.2	Low	51.9	Low	58 Å²	58	98.6 Å²	98.6	41%	0.406	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.5	169.8	61.6	0	0	0	0	109.4	S799	S765-S799 CarbonylContact C-O 3.59Å
766	E	47.3	Very low	49.6	Very low	59 Å²	59	103.6 Å²	103.6	28%	0.276	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.7	171.6	-74.1	-177.9	176.8	0	0	110.6	P798 S799 A801 K818	E766-P798 CarbonylContact O-C 3.41Å; E766-P798 WeakPolarHBondContact O-CA 3.5Å; E766-S799 PolarHBondContact N-O 2.85Å; E766-S799 PolarHBondContact O-N 3.45Å; E766-S799 VanDerWaalsContact O-O 3.13Å; E766-A801 HydrophobicContact CG-CB 4.37Å; E766-K818 VanDerWaalsContact OE1-CE 3.26Å; E766-K818 WeakPolarHBondContact OE1-CE 3.39Å; E766-K818 IonicContact OE1-NZ 2.93Å; E766-K818 PolarHBondContact OE1-NZ 2.85Å; E766-K818 IonicContact OE2-NZ 2.63Å; E766-K818 PolarHBondContact OE2-NZ 3.4Å
767	I	38.9	Very low	47.5	Very low	121 Å²	121	111.9 Å²	111.9	62%	0.621	55%	0.549	S	S	*	.			trans	-90.9	99.1	166.2	-57.2	167.2	0	0	0	105.5	T769	I767-T769 PolarHBondContact O-N 3.16Å
768	S	35.6	Very low	45.3	Very low	58 Å²	58	109.7 Å²	109.7	41%	0.406	55%	0.552	S	S	.	*			trans	-64	97.8	-176.7	-54.6	0	0	0	0	111.3	L770	S768-L770 VanDerWaalsContact C-N 3.31Å
769	T	32.6	Very low	43.5	Very low	109 Å²	109	114.9 Å²	114.9	67%	0.669	57%	0.573	S	S	*	*			trans	-98.4	39.5	163.1	58.9	0	0	0	0	111	I767 K771	I767-T769 PolarHBondContact O-N 3.16Å; T769-K771 PolarHBondContact O-N 3.2Å
770	L	30.6	Very low	41.7	Very low	162 Å²	162	119.4 Å²	119.4	85%	0.848	60%	0.603	S	S	*	*			trans	-66.3	91.3	170.4	-95	157.5	0	0	0	107.9	S768 R772	S768-L770 VanDerWaalsContact C-N 3.31Å; L770-R772 PolarHBondContact O-N 2.99Å
771	K	29.2	Very low	39.5	Very low	170 Å²	170	127 Å²	127	74%	0.739	63%	0.627	S	S	*	*			trans	-52.5	104.2	166.3	-72.1	178.4	177.6	177.4	0	106.6	T769 F773	T769-K771 PolarHBondContact O-N 3.2Å; K771-F773 VanDerWaalsContact C-N 3.34Å; K771-F773 PolarHBondContact O-N 2.63Å
772	R	26.6	Very low	37.3	Very low	238 Å²	238	133 Å²	133	90%	0.898	66%	0.657	S	S	*	*			trans	-52.8	107.1	160.6	-92.2	-177.3	-173.8	133.7	3.8	105.9	L770 S774	L770-R772 PolarHBondContact O-N 2.99Å; R772-S774 PolarHBondContact O-N 3.45Å
773	F	26.8	Very low	34.7	Very low	192 Å²	192	140.9 Å²	140.9	84%	0.842	70%	0.695	S	S	*	*			trans	-69.4	81.3	163.2	-71.6	-81.6	0	0	0	106.1	K771 R775	K771-F773 VanDerWaalsContact C-N 3.34Å; K771-F773 PolarHBondContact O-N 2.63Å; F773-R775 PolarHBondContact O-N 3.4Å
774	S	27.6	Very low	33	Very low	93 Å²	93	142.5 Å²	142.5	65%	0.65	71%	0.71	S	S	*	*			trans	-63.3	107.5	160.5	45.3	0	0	0	0	105.8	R772 T776	R772-S774 PolarHBondContact O-N 3.45Å; S774-T776 PolarHBondContact O-N 3.02Å
775	R	25	Very low	31.2	Very low	235 Å²	235	143.9 Å²	143.9	89%	0.887	72%	0.724	S	S	*	*			trans	-62	88.1	169.6	-168.5	174.2	-179.7	164	-1.5	106.2	F773 E777	F773-R775 PolarHBondContact O-N 3.4Å; R775-E777 PolarHBondContact O-N 3.09Å
776	T	29.4	Very low	29.7	Very low	105 Å²	105	146.1 Å²	146.1	64%	0.644	74%	0.74	S	S	*	*			trans	-69.8	100.9	176.8	50.1	0	0	0	0	107.2	S774 N778	S774-T776 PolarHBondContact O-N 3.02Å; T776-N778 PolarHBondContact O-N 3.44Å
777	E	29.2	Very low	28.6	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	76%	0.763	S	S	*	*			trans	-55.9	108.9	162.5	-71.9	-178.7	159.9	0	0	107.6	R775 E779	R775-E777 PolarHBondContact O-N 3.09Å; E777-E779 VanDerWaalsContact C-N 3.29Å; E777-E779 PolarHBondContact O-N 3.21Å
778	N	26	Very low	28	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	78%	0.775	S	S	*	*			trans	-70.5	83.8	175.4	-81.3	-32.3	0	0	0	108.9	T776	T776-N778 PolarHBondContact O-N 3.44Å
779	E	31.3	Very low	27.5	Very low	172 Å²	172	154.8 Å²	154.8	80%	0.804	79%	0.788	S	S	*	*			trans	-128.3	102.4	164.2	-71.7	-161.9	165.9	0	0	111.4	E777	E777-E779 VanDerWaalsContact C-N 3.29Å; E777-E779 PolarHBondContact O-N 3.21Å
780	S	29.8	Very low	27.1	Very low	101 Å²	101	156.9 Å²	156.9	71%	0.706	80%	0.795	S	S	*	*			trans	62	105.6	142.7	40.1	0	0	0	0	119.6
781	R	28.6	Very low	26.9	Very low	235 Å²	235	154.9 Å²	154.9	89%	0.887	79%	0.79	S	S	*	*			trans	44.6	94.3	132.1	-64.6	179.9	179.1	167.5	0.6	116
782	N	29.8	Very low	26.8	Very low	161 Å²	161	154.5 Å²	154.5	86%	0.861	79%	0.79	S	S	*	*			trans	-149.7	102.3	138.1	-85.7	-36.6	0	0	0	109.4	S784	N782-S784 PolarHBondContact O-N 3.17Å
783	M	22.1	Very low	26.9	Very low	197 Å²	197	149.7 Å²	149.7	97%	0.97	78%	0.778	S	S	*	*			trans	-78.6	95.7	172.4	-178.1	127.8	58.7	0	0	107.9
784	S	29.8	Very low	26.8	Very low	98 Å²	98	146.1 Å²	146.1	69%	0.685	77%	0.768	S	S	*	*			trans	-136.4	100.5	168.1	60.2	0	0	0	0	110.3	N782	N782-S784 PolarHBondContact O-N 3.17Å
785	V	25.6	Very low	26.8	Very low	123 Å²	123	150.8 Å²	150.8	75%	0.745	77%	0.773	S	S	*	*			trans	38.8	110.2	136.5	-172	0	0	0	0	116.6	T787	V785-T787 PolarHBondContact O-N 2.82Å
786	S	21.9	Very low	27.3	Very low	106 Å²	106	145 Å²	145	74%	0.741	76%	0.755	S	S	*	*			trans	-38.3	110.8	158.8	49	0	0	0	0	113.8
787	T	24.6	Very low	27.5	Very low	122 Å²	122	143 Å²	143	75%	0.748	75%	0.746	S	S	*	*			trans	-108.5	99.1	149.5	38.8	0	0	0	0	108.3	V785 T789	V785-T787 PolarHBondContact O-N 2.82Å; T787-T789 PolarHBondContact O-N 3.13Å
788	E	25	Very low	28	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	73%	0.726	S	S	*	*			trans	-64.9	76.8	167	-68	177	158.2	0	0	109.9
789	T	26.2	Very low	29.3	Very low	110 Å²	110	131.3 Å²	131.3	68%	0.675	70%	0.695	S	S	*	*			trans	-145.4	72.5	165.6	57.3	0	0	0	0	109.1	T787	T787-T789 PolarHBondContact O-N 3.13Å
790	N	25	Very low	31	Very low	152 Å²	152	126.8 Å²	126.8	81%	0.813	67%	0.672	S	S	*	*			trans	-152.6	98.2	145.9	-85.4	-32.4	0	0	0	105.3	E792	N790-E792 PolarHBondContact O-N 3.26Å
791	T	26.2	Very low	33.3	Very low	121 Å²	121	122 Å²	122	74%	0.742	64%	0.639	S	S	*	*			trans	-52.1	92.1	157.1	43.3	0	0	0	0	107.2	Q793	T791-Q793 PolarHBondContact O-N 3.22Å
792	E	27.4	Very low	36	Very low	161 Å²	161	110.8 Å²	110.8	75%	0.752	60%	0.597	S	S	*	*			trans	-62.8	81.9	161.4	-70.6	-170.6	169.8	0	0	106.3	N790 N794	N790-E792 PolarHBondContact O-N 3.26Å; E792-N794 PolarHBondContact O-N 3.08Å
793	Q	26.6	Very low	38.6	Very low	137 Å²	137	103.1 Å²	103.1	64%	0.64	56%	0.556	S	S	*	*			trans	-67.6	82.8	165.5	-69.9	178.5	-8.9	0	0	105.9	T791 Y795	T791-Q793 PolarHBondContact O-N 3.22Å; Q793-Y795 HydrophobicContact CB-CD2 4.07Å; Q793-Y795 HydrophobicContact CB-CE2 3.95Å; Q793-Y795 PolarHBondContact O-N 2.65Å
794	N	24.9	Very low	41.8	Very low	118 Å²	118	93.9 Å²	93.9	63%	0.631	51%	0.51	S	S	*	.			trans	-62.3	80.4	170.7	-85.4	-33.6	0	0	0	108.8	E792 Q796	E792-N794 PolarHBondContact O-N 3.08Å; N794-Q796 PolarHBondContact O-N 3.5Å
795	Y	28.8	Very low	44.6	Very low	191 Å²	191	89.7 Å²	89.7	75%	0.749	48%	0.481	S	S	*	.			trans	-73.9	71.5	161.9	-76.3	-79.2	0	0	0	108.3	Q793 S797	Q793-Y795 HydrophobicContact CB-CD2 4.07Å; Q793-Y795 HydrophobicContact CB-CE2 3.95Å; Q793-Y795 PolarHBondContact O-N 2.65Å; Y795-S797 PolarHBondContact O-N 2.65Å; Y795-S797 VanDerWaalsContact O-N 3.08Å
796	Q	35.7	Very low	47.6	Very low	112 Å²	112	83.9 Å²	83.9	52%	0.523	45%	0.445	S	S	.	.			trans	-73.6	93.2	168.9	-89.1	170.9	-37.2	0	0	108.4	N794	N794-Q796 PolarHBondContact O-N 3.5Å
797	S	34	Very low	50.6	Low	63 Å²	63	79.9 Å²	79.9	44%	0.441	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-77.7	136.1	169.8	-62.7	0	0	0	0	109	Y795 S799	Y795-S797 PolarHBondContact O-N 2.65Å; Y795-S797 VanDerWaalsContact O-N 3.08Å; S797-S799 PolarHBondContact O-N 3.03Å
798	P	38.9	Very low	53.4	Low	64 Å²	64	75.5 Å²	75.5	42%	0.416	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.9	126.8	176.8	24.1	-31.7	0	0	0	109.9	E766 F800	E766-P798 CarbonylContact O-C 3.41Å; E766-P798 WeakPolarHBondContact O-CA 3.5Å; P798-F800 HydrophobicContact CG-CE2 4.33Å; P798-F800 HydrophobicContact CG-CZ 4.29Å
799	S	53.6	Low	56	Low	26 Å²	26	67.1 Å²	67.1	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.4	166	-176.8	0	0	0	0	107.8	S765 E766 S797 K821	S765-S799 CarbonylContact C-O 3.59Å; E766-S799 PolarHBondContact N-O 2.85Å; E766-S799 PolarHBondContact O-N 3.45Å; E766-S799 VanDerWaalsContact O-O 3.13Å; S797-S799 PolarHBondContact O-N 3.03Å; S799-K821 PolarHBondContact OG-O 3.31Å
800	F	67.6	Low	58.4	Low	76 Å²	76	64.1 Å²	64.1	33%	0.333	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.2	178.3	-67.6	-86.4	0	0	0	109.6	H764 P798 N820 K821	H764-F800 WeakPolarHBondContact O-CA 3.1Å; P798-F800 HydrophobicContact CG-CE2 4.33Å; P798-F800 HydrophobicContact CG-CZ 4.29Å; F800-N820 WeakPolarHBondContact O-CA 3.39Å; F800-K821 PolarHBondContact O-N 2.86Å
801	A	77.5	Confident	60.6	Low	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	179.2	0	0	0	0	0	110.3	L751 V763 H764 E766 V819 N820	L751-A801 HydrophobicContact CD2-CB 3.82Å; V763-A801 WeakPolarHBondContact CA-O 3.32Å; H764-A801 PolarHBondContact N-O 3.24Å; H764-A801 PolarHBondContact O-N 2.81Å; E766-A801 HydrophobicContact CG-CB 4.37Å; A801-V819 WeakPolarHBondContact CA-O 3.37Å; A801-N820 VanDerWaalsContact CB-OD1 3.3Å; A801-N820 WeakPolarHBondContact CB-OD1 3.33Å
802	L	84.1	Confident	63.1	Low	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.6	171.2	175.1	70.4	0	0	0	108.1	T761 L762 V763 I804 K818 V819 F831 I836 Y839	T761-L802 HydrophobicContact CG2-CD1 3.46Å; T761-L802 VanDerWaalsContact CG2-CD1 3.46Å; T761-L802 HydrophobicContact CG2-CG 4.43Å; L762-L802 CarbonylContact O-C 3.39Å; L762-L802 WeakPolarHBondContact O-CA 3.47Å; V763-L802 HydrophobicContact CG2-CD1 3.72Å; L802-I804 HydrophobicContact CD1-CG1 4.46Å; L802-I804 HydrophobicContact CD2-CD1 3.93Å; L802-I804 HydrophobicContact CD2-CG1 4.24Å; L802-I804 HydrophobicContact CG-CD1 4.24Å; L802-I804 HydrophobicContact CG-CG1 3.98Å; L802-K818 CarbonylContact O-C 3.57Å; L802-K818 VanDerWaalsContact O-CA 3.29Å; L802-K818 WeakPolarHBondContact O-CA 3.3Å; L802-V819 HydrophobicContact CB-CB 4.29Å; L802-V819 PolarHBondContact N-O 3.48Å; L802-V819 PolarHBondContact O-N 3.44Å; L802-F831 HydrophobicContact CB-CD2 3.95Å; L802-F831 HydrophobicContact CB-CE2 3.82Å; L802-F831 HydrophobicContact CB-CZ 4.49Å; L802-F831 HydrophobicContact CD2-CD2 4.42Å; L802-F831 HydrophobicContact CD2-CG 4.42Å; L802-I836 HydrophobicContact CD1-CG1 4.32Å; L802-I836 HydrophobicContact CD1-CG2 4.35Å; L802-I836 HydrophobicContact CD2-CG1 4.43Å; L802-Y839 HydrophobicContact CD2-CD2 3.88Å
803	A	85.4	Confident	65.6	Low	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	174.7	0	0	0	0	0	109.9	L751 C755 T761 L762 V816 M817	L751-A803 HydrophobicContact CD1-CB 4.41Å; L751-A803 HydrophobicContact CD2-CB 3.77Å; L751-A803 HydrophobicContact CG-CB 3.69Å; C755-A803 HydrophobicContact CB-CB 4.04Å; T761-A803 CarbonylContact C-O 3.6Å; T761-A803 WeakPolarHBondContact CA-O 3.37Å; L762-A803 PolarHBondContact N-O 3.46Å; L762-A803 PolarHBondContact O-N 3.02Å; A803-V816 HydrophobicContact CB-CG1 3.98Å; A803-M817 WeakPolarHBondContact CA-O 3.21Å
804	I	88.6	Confident	68.3	Low	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.5	-177.9	-51.2	-178.3	0	0	0	108.7	T761 L802 V816 M817 R840 V843	T761-I804 HydrophobicContact CG2-CG1 3.95Å; L802-I804 HydrophobicContact CD1-CG1 4.46Å; L802-I804 HydrophobicContact CD2-CD1 3.93Å; L802-I804 HydrophobicContact CD2-CG1 4.24Å; L802-I804 HydrophobicContact CG-CD1 4.24Å; L802-I804 HydrophobicContact CG-CG1 3.98Å; I804-V816 CarbonylContact O-C 3.57Å; I804-V816 WeakPolarHBondContact O-CA 3.12Å; I804-V816 WeakPolarHBondContact O-CG1 3.36Å; I804-M817 HydrophobicContact CD1-CE 4.06Å; I804-M817 PolarHBondContact N-O 3.33Å; I804-M817 PolarHBondContact O-N 3.36Å; I804-R840 HydrophobicContact CD1-CG 4.16Å; I804-R840 HydrophobicContact CG2-CG 3.94Å; I804-V843 HydrophobicContact CB-CG2 4.1Å; I804-V843 HydrophobicContact CD1-CG2 4.33Å; I804-V843 HydrophobicContact CG2-CB 3.88Å; I804-V843 HydrophobicContact CG2-CG1 3.82Å; I804-V843 HydrophobicContact CG2-CG2 3.88Å
805	P	88.2	Confident	71.3	Confident	10 Å²	10	38 Å²	38	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.5	179.2	33.3	-33.5	0	0	0	110.5	C755 P807 F813 V843	C755-P805 WeakPolarHBondContact SG-CD 3.45Å; P805-P807 WeakPolarHBondContact O-CD 3.28Å; P805-F813 HydrophobicContact CB-CD1 3.59Å; P805-F813 HydrophobicContact CB-CE1 3.68Å; P805-F813 HydrophobicContact CB-CG 4.15Å; P805-F813 HydrophobicContact CB-CZ 4.32Å; P805-F813 HydrophobicContact CG-CD1 4.19Å; P805-F813 HydrophobicContact CG-CE1 3.74Å; P805-F813 HydrophobicContact CG-CZ 4.22Å; P805-V843 VanDerWaalsContact O-CG1 3.22Å; P805-V843 WeakPolarHBondContact O-CG1 3.14Å
806	I	90.1	Very high	74.1	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.7	-178	-52.4	171.1	0	0	0	108.4	I702 L704 F813 I814 G815 V843 L846	I702-I806 HydrophobicContact CG2-CD1 3.86Å; L704-I806 HydrophobicContact CD2-CD1 4.01Å; I806-F813 CarbonylContact O-C 3.59Å; I806-F813 WeakPolarHBondContact O-CA 3.41Å; I806-I814 HydrophobicContact CB-CG1 4.17Å; I806-I814 HydrophobicContact CG2-CD1 4.03Å; I806-I814 HydrophobicContact CG2-CG1 3.84Å; I806-I814 WeakPolarHBondContact O-CG1 3.29Å; I806-I814 PolarHBondContact O-N 3.11Å; I806-G815 PolarHBondContact N-O 3.48Å; I806-V843 HydrophobicContact CB-CG1 4.11Å; I806-V843 HydrophobicContact CG1-CG1 3.76Å; I806-V843 HydrophobicContact CG2-CG1 4.37Å; I806-L846 HydrophobicContact CD1-CD2 3.91Å; I806-L846 HydrophobicContact CG1-CD2 4.42Å; I806-L846 HydrophobicContact CG2-CD2 4.41Å; I806-L846 HydrophobicContact CG2-CG 4.37Å
807	P	84.3	Confident	76.9	Confident	23 Å²	23	23.6 Å²	23.6	15%	0.149	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	151.5	177.3	33.9	-34	0	0	0	111.6	P805 Y812 F813 Y844 G847	P805-P807 WeakPolarHBondContact O-CD 3.28Å; P807-Y812 CarbonylContact C-O 3.57Å; P807-Y812 WeakPolarHBondContact CA-O 3.4Å; P807-F813 HydrophobicContact CB-CD1 4.27Å; P807-F813 HydrophobicContact CB-CE1 4.39Å; P807-Y844 HydrophobicContact CG-CD2 4.13Å; P807-G847 CarbonylContact O-C 3.56Å; P807-G847 WeakPolarHBondContact O-CA 3.25Å
808	N	82.8	Confident	79.5	Confident	30 Å²	30	21.6 Å²	21.6	16%	0.16	11%	0.111	C	C	.	.			trans	-90	179.4	163.9	72	3	0	0	0	111.2	K810 K811 Y812 I814	N808-K810 PolarHBondContact O-N 3.18Å; N808-K810 VanDerWaalsContact O-N 3.15Å; N808-K810 WeakPolarHBondContact OD1-CA 3.41Å; N808-K810 PolarHBondContact OD1-N 3.45Å; N808-K811 PolarHBondContact O-N 3.41Å; N808-K811 PolarHBondContact OD1-N 2.93Å; N808-K811 VanDerWaalsContact OD1-N 3.09Å; N808-Y812 PolarHBondContact N-O 2.79Å; N808-Y812 PolarHBondContact OD1-N 3.41Å; N808-Y812 PolarHBondContact OD1-O 2.85Å; N808-I814 HydrophobicContact CB-CG2 3.87Å
809	A	80.3	Confident	81.8	Confident	12 Å²	12	18.6 Å²	18.6	10%	0.099	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.1	180	0	0	0	0	0	114	K811 S851 V1024 Y1030	A809-K811 VanDerWaalsContact C-N 3.34Å; A809-S851 PolarHBondContact N-OG 2.89Å; A809-V1024 HydrophobicContact CB-CB 4.03Å; A809-V1024 HydrophobicContact CB-CG1 4.2Å; A809-Y1030 HydrophobicContact CB-CD1 4.15Å; A809-Y1030 HydrophobicContact CB-CE1 3.76Å
810	K	75.5	Confident	83.3	Confident	47 Å²	47	17.9 Å²	17.9	20%	0.204	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.8	172.4	-82.4	-167.1	171.7	177.9	0	115.2	N808 Y812 H1020 Y1021	N808-K810 PolarHBondContact O-N 3.18Å; N808-K810 VanDerWaalsContact O-N 3.15Å; N808-K810 WeakPolarHBondContact OD1-CA 3.41Å; N808-K810 PolarHBondContact OD1-N 3.45Å; K810-Y812 VanDerWaalsContact C-N 3.26Å; K810-Y812 HydrophobicContact CB-CD2 3.6Å; K810-Y812 HydrophobicContact CB-CE2 3.76Å; K810-Y812 HydrophobicContact CD-CD2 4.47Å; K810-Y812 HydrophobicContact CD-CE2 4.02Å; K810-Y812 PolarHBondContact O-N 2.91Å; K810-H1020 WeakPolarHBondContact CE-O 3.49Å; K810-H1020 PolarHBondContact NZ-O 3.21Å; K810-Y1021 VanDerWaalsContact CD-O 3.24Å; K810-Y1021 WeakPolarHBondContact CD-O 3.39Å; K810-Y1021 WeakPolarHBondContact CE-O 3.04Å; K810-Y1021 PolarHBondContact NZ-O 2.67Å
811	K	72.6	Confident	83.8	Confident	71 Å²	71	15.7 Å²	15.7	31%	0.309	8%	0.075	S	C	.	.	S	Bend	trans	69.8	14.5	-179.7	-44	174.5	-176.1	179	0	114.8	N600 D603 N808 A809	N600-K811 WeakPolarHBondContact ND2-CE 3.41Å; D603-K811 IonicContact OD1-NZ 3.94Å; D603-K811 PolarHBondContact OD1-NZ 3.42Å; D603-K811 IonicContact OD2-NZ 2.82Å; D603-K811 PolarHBondContact OD2-NZ 2.99Å; N808-K811 PolarHBondContact O-N 3.41Å; N808-K811 PolarHBondContact OD1-N 2.93Å; N808-K811 VanDerWaalsContact OD1-N 3.09Å; A809-K811 VanDerWaalsContact C-N 3.34Å
812	Y	77.3	Confident	83.4	Confident	45 Å²	45	18.2 Å²	18.2	18%	0.176	9%	0.089	C	C	.	.			trans	-84.2	141.5	169.7	-61.9	-68.8	0	0	0	110.9	F547 P807 N808 K810 I814	F547-Y812 VanDerWaalsContact CD2-OH 3.23Å; F547-Y812 WeakPolarHBondContact CD2-OH 3.27Å; F547-Y812 WeakPolarHBondContact CG-OH 3.14Å; P807-Y812 CarbonylContact C-O 3.57Å; P807-Y812 WeakPolarHBondContact CA-O 3.4Å; N808-Y812 PolarHBondContact N-O 2.79Å; N808-Y812 PolarHBondContact OD1-N 3.41Å; N808-Y812 PolarHBondContact OD1-O 2.85Å; K810-Y812 VanDerWaalsContact C-N 3.26Å; K810-Y812 HydrophobicContact CB-CD2 3.6Å; K810-Y812 HydrophobicContact CB-CE2 3.76Å; K810-Y812 HydrophobicContact CD-CD2 4.47Å; K810-Y812 HydrophobicContact CD-CE2 4.02Å; K810-Y812 PolarHBondContact O-N 2.91Å; Y812-I814 PolarHBondContact O-N 2.8Å
813	F	80.9	Confident	82.4	Confident	16 Å²	16	26.2 Å²	26.2	7%	0.07	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.3	177.7	-57.7	-61.3	0	0	0	112.1	L587 Y589 L705 L756 P805 I806 P807	L587-F813 HydrophobicContact CB-CD2 4.34Å; L587-F813 VanDerWaalsContact O-CD2 3.28Å; L587-F813 WeakPolarHBondContact O-CD2 3.21Å; Y589-F813 HydrophobicContact CD2-CE1 4.35Å; Y589-F813 AromaticContact CD2-CZ 3.77Å; Y589-F813 HydrophobicContact CD2-CZ 3.77Å; L705-F813 WeakPolarHBondContact CD1-O 3.38Å; L756-F813 HydrophobicContact CD2-CB 3.89Å; P805-F813 HydrophobicContact CB-CD1 3.59Å; P805-F813 HydrophobicContact CB-CE1 3.68Å; P805-F813 HydrophobicContact CB-CG 4.15Å; P805-F813 HydrophobicContact CB-CZ 4.32Å; P805-F813 HydrophobicContact CG-CD1 4.19Å; P805-F813 HydrophobicContact CG-CE1 3.74Å; P805-F813 HydrophobicContact CG-CZ 4.22Å; I806-F813 CarbonylContact O-C 3.59Å; I806-F813 WeakPolarHBondContact O-CA 3.41Å; P807-F813 HydrophobicContact CB-CD1 4.27Å; P807-F813 HydrophobicContact CB-CE1 4.39Å
814	I	83.4	Confident	80.8	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-10.1	-179.2	57.2	167.9	0	0	0	113.1	V581 L705 I806 N808 Y812 F850	V581-I814 HydrophobicContact CG2-CG2 4.33Å; L705-I814 WeakPolarHBondContact CB-O 3.42Å; L705-I814 PolarHBondContact N-O 3.18Å; I806-I814 HydrophobicContact CB-CG1 4.17Å; I806-I814 HydrophobicContact CG2-CD1 4.03Å; I806-I814 HydrophobicContact CG2-CG1 3.84Å; I806-I814 WeakPolarHBondContact O-CG1 3.29Å; I806-I814 PolarHBondContact O-N 3.11Å; N808-I814 HydrophobicContact CB-CG2 3.87Å; Y812-I814 PolarHBondContact O-N 2.8Å; I814-F850 HydrophobicContact CD1-CB 3.98Å; I814-F850 HydrophobicContact CD1-CD1 3.37Å; I814-F850 HydrophobicContact CD1-CD2 4.34Å; I814-F850 HydrophobicContact CD1-CE1 3.91Å; I814-F850 HydrophobicContact CD1-CG 3.62Å
815	G	86.8	Confident	79	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-169.8	-177.1	0	0	0	0	0	113.3	A703 L756 I806	A703-G815 CarbonylContact O-C 3.58Å; A703-G815 WeakPolarHBondContact O-CA 3.39Å; L756-G815 WeakPolarHBondContact CD2-O 3.41Å; I806-G815 PolarHBondContact N-O 3.48Å
816	V	89.2	Confident	77.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.8	179	-174.4	0	0	0	0	109.8	A703 L752 C755 L756 A803 I804	A703-V816 PolarHBondContact N-O 3.09Å; A703-V816 PolarHBondContact O-N 3.13Å; L752-V816 HydrophobicContact CD2-CB 4.09Å; L752-V816 HydrophobicContact CD2-CG1 3.63Å; C755-V816 HydrophobicContact CB-CG1 4.3Å; C755-V816 HydrophobicContact CB-CG2 4.45Å; L756-V816 HydrophobicContact CD1-CG2 4.17Å; L756-V816 HydrophobicContact CD2-CG2 3.54Å; L756-V816 HydrophobicContact CG-CG2 3.43Å; L756-V816 VanDerWaalsContact CG-CG2 3.43Å; A803-V816 HydrophobicContact CB-CG1 3.98Å; I804-V816 CarbonylContact O-C 3.57Å; I804-V816 WeakPolarHBondContact O-CA 3.12Å; I804-V816 WeakPolarHBondContact O-CG1 3.36Å
817	M	93.3	Very high	75.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.9	165.8	-174.6	177.9	83.3	0	0	109.4	L685 I700 I702 A803 I804 V819 V843	L685-M817 HydrophobicContact CD1-CE 4Å; L685-M817 HydrophobicContact CD1-SD 3.97Å; I700-M817 HydrophobicContact CG2-CG 3.83Å; I700-M817 HydrophobicContact CG2-SD 3.89Å; I702-M817 HydrophobicContact CG1-CB 4.45Å; I702-M817 HydrophobicContact CG1-CG 4.01Å; A803-M817 WeakPolarHBondContact CA-O 3.21Å; I804-M817 HydrophobicContact CD1-CE 4.06Å; I804-M817 PolarHBondContact N-O 3.33Å; I804-M817 PolarHBondContact O-N 3.36Å; M817-V819 HydrophobicContact CE-CG2 3.75Å; M817-V819 HydrophobicContact CG-CG2 4.43Å; M817-V843 HydrophobicContact CB-CG2 3.85Å; M817-V843 HydrophobicContact CE-CG2 3.24Å; M817-V843 HydrophobicContact CG-CG2 4.34Å; M817-V843 HydrophobicContact SD-CG2 3.62Å
818	K	88.8	Confident	73.8	Confident	22 Å²	22	51 Å²	51	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.6	173.9	-165.4	-169.4	-171.6	-159.4	0	109.2	I700 N701 L752 E766 L802 N820	I700-K818 CarbonylContact C-O 3.5Å; I700-K818 WeakPolarHBondContact CA-O 3.5Å; N701-K818 HydrophobicContact CB-CB 4.39Å; N701-K818 PolarHBondContact N-O 3.11Å; N701-K818 PolarHBondContact O-N 3.49Å; L752-K818 HydrophobicContact CD2-CB 4.07Å; L752-K818 HydrophobicContact CD2-CD 4.49Å; L752-K818 HydrophobicContact CD2-CG 4.41Å; E766-K818 VanDerWaalsContact OE1-CE 3.26Å; E766-K818 WeakPolarHBondContact OE1-CE 3.39Å; E766-K818 IonicContact OE1-NZ 2.93Å; E766-K818 PolarHBondContact OE1-NZ 2.85Å; E766-K818 IonicContact OE2-NZ 2.63Å; E766-K818 PolarHBondContact OE2-NZ 3.4Å; L802-K818 CarbonylContact O-C 3.57Å; L802-K818 VanDerWaalsContact O-CA 3.29Å; L802-K818 WeakPolarHBondContact O-CA 3.3Å; K818-N820 WeakPolarHBondContact CD-OD1 2.97Å; K818-N820 WeakPolarHBondContact CE-OD1 3.46Å; K818-N820 PolarHBondContact NZ-OD1 2.95Å
819	V	88.2	Confident	72.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.1	173.5	-172.7	0	0	0	0	108.3	I698 S699 I700 A801 L802 M817 F831 Y839	I698-V819 HydrophobicContact CB-CG1 4.06Å; I698-V819 HydrophobicContact CD1-CG1 4.11Å; I698-V819 HydrophobicContact CG2-CG1 4.25Å; S699-V819 CarbonylContact O-C 3.52Å; S699-V819 VanDerWaalsContact O-CA 3.28Å; S699-V819 WeakPolarHBondContact O-CA 3.24Å; I700-V819 HydrophobicContact CG1-CG1 4.27Å; I700-V819 HydrophobicContact CG1-CG2 4.4Å; I700-V819 HydrophobicContact CG2-CG2 4.4Å; A801-V819 WeakPolarHBondContact CA-O 3.37Å; L802-V819 HydrophobicContact CB-CB 4.29Å; L802-V819 PolarHBondContact N-O 3.48Å; L802-V819 PolarHBondContact O-N 3.44Å; M817-V819 HydrophobicContact CE-CG2 3.75Å; M817-V819 HydrophobicContact CG-CG2 4.43Å; V819-F831 HydrophobicContact CB-CZ 4.42Å; V819-F831 HydrophobicContact CG1-CE1 4.14Å; V819-F831 HydrophobicContact CG1-CZ 3.86Å; V819-Y839 HydrophobicContact CG1-CE2 4.34Å; V819-Y839 HydrophobicContact CG2-CD2 4.47Å
820	N	83.8	Confident	71.7	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.064	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.9	175.9	-46.5	-54	0	0	0	110.1	I698 S699 F800 A801 K818	I698-N820 CarbonylContact C-O 3.57Å; I698-N820 WeakPolarHBondContact CA-O 2.9Å; S699-N820 PolarHBondContact N-O 3.29Å; S699-N820 PolarHBondContact O-N 3.03Å; S699-N820 WeakPolarHBondContact OG-CB 3.36Å; S699-N820 PolarHBondContact OG-ND2 3.1Å; F800-N820 WeakPolarHBondContact O-CA 3.39Å; A801-N820 VanDerWaalsContact CB-OD1 3.3Å; A801-N820 WeakPolarHBondContact CB-OD1 3.33Å; K818-N820 WeakPolarHBondContact CD-OD1 2.97Å; K818-N820 WeakPolarHBondContact CE-OD1 3.46Å; K818-N820 PolarHBondContact NZ-OD1 2.95Å
821	K	77.7	Confident	71.6	Confident	29 Å²	29	55.2 Å²	55.2	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.2	168.1	-174.9	176.8	178	179.2	0	109.4	S799 F800 L828 P829	S799-K821 PolarHBondContact OG-O 3.31Å; F800-K821 PolarHBondContact O-N 2.86Å; K821-L828 VanDerWaalsContact NZ-CB 3.35Å; K821-L828 PolarHBondContact NZ-O 2.95Å; K821-P829 PolarHBondContact NZ-O 3.24Å
822	L	70	Confident	72.2	Confident	54 Å²	54	55.4 Å²	55.4	28%	0.283	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-77.3	145.2	172.4	-67.7	163.4	0	0	0	109.5	Q697 N824	Q697-L822 HydrophobicContact CB-CB 3.9Å; Q697-L822 HydrophobicContact CB-CD1 4.34Å; Q697-L822 PolarHBondContact O-N 2.95Å; L822-N824 PolarHBondContact O-N 3.31Å
823	E	62.9	Low	72.5	Confident	167 Å²	167	59 Å²	59	78%	0.78	30%	0.3	S	S	*	.	S	Bend	trans	-51.1	122.1	-175.7	-67.1	-178.6	159.3	0	0	111.6
824	N	52.9	Low	72.8	Confident	88 Å²	88	59.4 Å²	59.4	47%	0.471	30%	0.302	S	S	.	.	S	Bend	trans	-153.4	-12.2	163.5	-102.2	-25.4	0	0	0	117.5	Q697 L822	Q697-N824 PolarHBondContact OE1-ND2 2.89Å; Q697-N824 VanDerWaalsContact OE1-ND2 3.13Å; L822-N824 PolarHBondContact O-N 3.31Å
825	N	49.8	Very low	73	Confident	117 Å²	117	59 Å²	59	63%	0.626	30%	0.3	S	S	*	.			trans	178.5	133.1	164.4	-100.2	-45.5	0	0	0	109.1	K827 L828	N825-K827 PolarHBondContact O-N 3.28Å; N825-L828 HydrophobicContact CB-CD1 4.26Å; N825-L828 HydrophobicContact CB-CG 4.39Å; N825-L828 PolarHBondContact O-N 3.44Å
826	S	51.7	Low	73	Confident	109 Å²	109	59.7 Å²	59.7	76%	0.762	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.1	175.6	55.1	0	0	0	0	114
827	K	50.9	Low	73	Confident	193 Å²	193	61.1 Å²	61.1	84%	0.839	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.7	-179.3	-64.7	-171.8	-180	-178.4	0	114.9	N825	N825-K827 PolarHBondContact O-N 3.28Å
828	L	50.2	Low	73	Confident	52 Å²	52	61.1 Å²	61.1	27%	0.272	31%	0.31	S	S	.	.	S	Bend	trans	-78.2	133.7	-178.3	-77.4	164.8	0	0	0	110.2	E694 K821 N825	E694-L828 HydrophobicContact CB-CD2 4.35Å; E694-L828 VanDerWaalsContact OE2-CD2 3.29Å; E694-L828 WeakPolarHBondContact OE2-CD2 3.31Å; K821-L828 VanDerWaalsContact NZ-CB 3.35Å; K821-L828 PolarHBondContact NZ-O 2.95Å; N825-L828 HydrophobicContact CB-CD1 4.26Å; N825-L828 HydrophobicContact CB-CG 4.39Å; N825-L828 PolarHBondContact O-N 3.44Å
829	P	52.9	Low	73.2	Confident	58 Å²	58	60.1 Å²	60.1	38%	0.377	31%	0.306	S	S	.	.			trans	-56.7	165.1	-179.5	21.7	-30.7	0	0	0	113.2	E694 K821	E694-P829 WeakPolarHBondContact OE2-CD 3.44Å; K821-P829 PolarHBondContact NZ-O 3.24Å
830	M	66.1	Low	73.3	Confident	113 Å²	113	62.1 Å²	62.1	56%	0.557	31%	0.313	S	S	*	.			trans	-46	174.2	165	-167.8	174.7	77	0	0	111.6	K696 E832	K696-M830 PolarHBondContact NZ-O 3.12Å; M830-E832 PolarHBondContact O-N 3.35Å
831	F	75.4	Confident	73.6	Confident	5 Å²	5	61.5 Å²	61.5	2%	0.022	31%	0.31	C	S	.	.			trans	-58.8	123.5	156.9	-66.9	-73.9	0	0	0	108.5	I698 L802 V819 E835 I836 Y839	I698-F831 HydrophobicContact CG2-CE1 4.32Å; L802-F831 HydrophobicContact CB-CD2 3.95Å; L802-F831 HydrophobicContact CB-CE2 3.82Å; L802-F831 HydrophobicContact CB-CZ 4.49Å; L802-F831 HydrophobicContact CD2-CD2 4.42Å; L802-F831 HydrophobicContact CD2-CG 4.42Å; V819-F831 HydrophobicContact CB-CZ 4.42Å; V819-F831 HydrophobicContact CG1-CE1 4.14Å; V819-F831 HydrophobicContact CG1-CZ 3.86Å; F831-E835 WeakPolarHBondContact CA-OE2 3.21Å; F831-I836 HydrophobicContact CB-CD1 4.11Å; F831-I836 HydrophobicContact CB-CG1 3.75Å; F831-Y839 HydrophobicContact CD1-CE2 4.12Å; F831-Y839 HydrophobicContact CE1-CE2 4Å
832	E	83.7	Confident	74.4	Confident	75 Å²	75	60.1 Å²	60.1	35%	0.35	30%	0.304	S	S	.	.			trans	-70.6	154.8	174.9	-63.9	-163	-166.7	0	0	110	M830 H834 E835 I836	M830-E832 PolarHBondContact O-N 3.35Å; E832-H834 PolarHBondContact O-N 2.98Å; E832-H834 IonicContact OE2-CD2 3.38Å; E832-H834 PolarHBondContact OE2-CD2 3.5Å; E832-H834 IonicContact OE2-NE2 3.66Å; E832-H834 PolarHBondContact OE2-NE2 3.36Å; E832-E835 HydrophobicContact CB-CG 4.29Å; E832-E835 PolarHBondContact N-OE2 2.97Å; E832-E835 WeakPolarHBondContact O-CA 3.32Å; E832-E835 WeakPolarHBondContact O-CB 3.32Å; E832-E835 PolarHBondContact O-N 3.33Å; E832-I836 WeakPolarHBondContact O-CG1 3.44Å; E832-I836 PolarHBondContact O-N 3.1Å
833	E	83.7	Confident	75.5	Confident	121 Å²	121	57.6 Å²	57.6	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-54.9	-41.4	-179.1	-177.5	58.4	-155.4	0	0	111.6	E835 I836 Q837	E833-E835 VanDerWaalsContact C-N 3.3Å; E833-E835 PolarHBondContact O-N 3.27Å; E833-I836 PolarHBondContact O-N 2.92Å; E833-Q837 WeakPolarHBondContact O-CG 3.37Å; E833-Q837 PolarHBondContact O-N 2.56Å; E833-Q837 WeakPolarHBondContact OE1-CG 3.29Å; E833-Q837 PolarHBondContact OE1-NE2 2.68Å
834	H	87	Confident	76.7	Confident	24 Å²	24	51.2 Å²	51.2	11%	0.111	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-28.3	178	74.2	78.6	0	0	0	113.1	E503 R655 E832 F838	E503-H834 HydrophobicContact CG-CB 4.28Å; R655-H834 PolarHBondContact NH1-O 2.96Å; R655-H834 PolarHBondContact NH2-ND1 2.82Å; R655-H834 PolarHBondContact NH2-O 3.1Å; E832-H834 PolarHBondContact O-N 2.98Å; E832-H834 IonicContact OE2-CD2 3.38Å; E832-H834 PolarHBondContact OE2-CD2 3.5Å; E832-H834 IonicContact OE2-NE2 3.66Å; E832-H834 PolarHBondContact OE2-NE2 3.36Å; H834-F838 WeakPolarHBondContact O-CB 3.46Å; H834-F838 PolarHBondContact O-N 3.24Å
835	E	88.5	Confident	78.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72	-46.7	173.9	-64.6	175.9	120.5	0	0	110.1	G693 K696 F831 E832 E833 Q837 F838 Y839	G693-E835 WeakPolarHBondContact CA-OE1 3.29Å; K696-E835 VanDerWaalsContact NZ-CD 3.3Å; K696-E835 IonicContact NZ-OE1 3.53Å; K696-E835 PolarHBondContact NZ-OE1 3.09Å; K696-E835 VanDerWaalsContact NZ-OE1 3.12Å; K696-E835 IonicContact NZ-OE2 3.61Å; K696-E835 PolarHBondContact NZ-OE2 3.22Å; F831-E835 WeakPolarHBondContact CA-OE2 3.21Å; E832-E835 HydrophobicContact CB-CG 4.29Å; E832-E835 PolarHBondContact N-OE2 2.97Å; E832-E835 WeakPolarHBondContact O-CA 3.32Å; E832-E835 WeakPolarHBondContact O-CB 3.32Å; E832-E835 PolarHBondContact O-N 3.33Å; E833-E835 VanDerWaalsContact C-N 3.3Å; E833-E835 PolarHBondContact O-N 3.27Å; E835-Q837 VanDerWaalsContact C-N 3.34Å; E835-Q837 PolarHBondContact O-N 2.95Å; E835-F838 PolarHBondContact O-N 2.73Å; E835-Y839 WeakPolarHBondContact O-CD1 3.43Å; E835-Y839 VanDerWaalsContact O-CG 3.25Å; E835-Y839 PolarHBondContact O-N 3.33Å
836	I	86.7	Confident	80.7	Confident	15 Å²	15	42.8 Å²	42.8	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-48.3	179.3	-62.7	171.6	0	0	0	110.1	T761 V763 L802 F831 E832 E833 F838 Y839 R840	T761-I836 HydrophobicContact CG2-CG2 3.96Å; V763-I836 HydrophobicContact CG2-CD1 4.3Å; L802-I836 HydrophobicContact CD1-CG1 4.32Å; L802-I836 HydrophobicContact CD1-CG2 4.35Å; L802-I836 HydrophobicContact CD2-CG1 4.43Å; F831-I836 HydrophobicContact CB-CD1 4.11Å; F831-I836 HydrophobicContact CB-CG1 3.75Å; E832-I836 WeakPolarHBondContact O-CG1 3.44Å; E832-I836 PolarHBondContact O-N 3.1Å; E833-I836 PolarHBondContact O-N 2.92Å; I836-F838 PolarHBondContact O-N 2.78Å; I836-Y839 PolarHBondContact O-N 2.69Å; I836-R840 VanDerWaalsContact O-CG 3.25Å; I836-R840 WeakPolarHBondContact O-CG 3.23Å; I836-R840 PolarHBondContact O-N 3.5Å
837	Q	88.7	Confident	82.5	Confident	30 Å²	30	37.6 Å²	37.6	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-42.2	-178.7	-66.4	-57.3	-18.5	0	0	112.4	E503 S505 E833 E835 R840 G841	E503-Q837 HydrophobicContact CB-CB 3.87Å; E503-Q837 HydrophobicContact CG-CB 4.49Å; S505-Q837 VanDerWaalsContact CA-O 3.32Å; S505-Q837 WeakPolarHBondContact CA-O 3.44Å; S505-Q837 VanDerWaalsContact CB-O 3.3Å; S505-Q837 WeakPolarHBondContact CB-O 3.29Å; E833-Q837 WeakPolarHBondContact O-CG 3.37Å; E833-Q837 PolarHBondContact O-N 2.56Å; E833-Q837 WeakPolarHBondContact OE1-CG 3.29Å; E833-Q837 PolarHBondContact OE1-NE2 2.68Å; E835-Q837 VanDerWaalsContact C-N 3.34Å; E835-Q837 PolarHBondContact O-N 2.95Å; Q837-R840 WeakPolarHBondContact O-CB 3.42Å; Q837-R840 PolarHBondContact O-N 2.96Å; Q837-R840 VanDerWaalsContact OE1-NH1 3.12Å; Q837-G841 PolarHBondContact O-N 2.78Å; Q837-G841 VanDerWaalsContact O-N 3.11Å
838	F	93.5	Very high	84.4	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-43	175.7	176.8	-116.1	0	0	0	112.4	E503 C504 R655 W658 I659 T684 D688 H834 E835 I836 R840 G841 V842	E503-F838 WeakPolarHBondContact O-CA 3.38Å; C504-F838 HydrophobicContact CB-CD2 4.28Å; R655-F838 HydrophobicContact CB-CD2 3.81Å; R655-F838 HydrophobicContact CB-CE2 3.55Å; R655-F838 HydrophobicContact CB-CZ 4.23Å; R655-F838 HydrophobicContact CG-CD1 4.36Å; R655-F838 HydrophobicContact CG-CD2 3.7Å; R655-F838 HydrophobicContact CG-CE1 4.3Å; R655-F838 HydrophobicContact CG-CE2 3.61Å; R655-F838 HydrophobicContact CG-CG 4.09Å; R655-F838 HydrophobicContact CG-CZ 3.93Å; R655-F838 VanDerWaalsContact CZ-CB 3.49Å; W658-F838 HydrophobicContact CE3-CE1 4.35Å; W658-F838 AromaticContact CE3-CZ 3.96Å; W658-F838 HydrophobicContact CE3-CZ 3.96Å; I659-F838 HydrophobicContact CD1-CE2 4.02Å; I659-F838 HydrophobicContact CG1-CE2 4.14Å; T684-F838 HydrophobicContact CG2-CE1 4.22Å; T684-F838 HydrophobicContact CG2-CZ 3.76Å; D688-F838 HydrophobicContact CB-CD1 4.15Å; D688-F838 HydrophobicContact CB-CE1 3.74Å; H834-F838 WeakPolarHBondContact O-CB 3.46Å; H834-F838 PolarHBondContact O-N 3.24Å; E835-F838 PolarHBondContact O-N 2.73Å; I836-F838 PolarHBondContact O-N 2.78Å; F838-R840 VanDerWaalsContact C-N 3.27Å; F838-R840 PolarHBondContact O-N 2.83Å; F838-G841 WeakPolarHBondContact O-CA 2.81Å; F838-G841 PolarHBondContact O-N 3.07Å; F838-G841 VanDerWaalsContact O-N 3.07Å; F838-V842 HydrophobicContact CD1-CG2 4.48Å; F838-V842 HydrophobicContact CE1-CG2 3.99Å; F838-V842 HydrophobicContact CE2-CG2 4.07Å; F838-V842 HydrophobicContact CZ-CG2 3.77Å; F838-V842 WeakPolarHBondContact O-CG2 3.35Å; F838-V842 PolarHBondContact O-N 2.82Å
839	Y	93.6	Very high	86.4	Confident	1 Å²	1	26.5 Å²	26.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-32.8	179.1	-65.7	-1.8	0	0	0	112.1	L685 D688 T689 L802 V819 F831 E835 I836 V842 V843	L685-Y839 HydrophobicContact CD2-CD1 3.28Å; L685-Y839 HydrophobicContact CD2-CE1 3.62Å; L685-Y839 HydrophobicContact CD2-CG 3.84Å; D688-Y839 HydrophobicContact CB-CE1 4.42Å; D688-Y839 WeakPolarHBondContact OD2-CE1 3.47Å; T689-Y839 WeakPolarHBondContact CG2-OH 3.35Å; L802-Y839 HydrophobicContact CD2-CD2 3.88Å; V819-Y839 HydrophobicContact CG1-CE2 4.34Å; V819-Y839 HydrophobicContact CG2-CD2 4.47Å; F831-Y839 HydrophobicContact CD1-CE2 4.12Å; F831-Y839 HydrophobicContact CE1-CE2 4Å; E835-Y839 WeakPolarHBondContact O-CD1 3.43Å; E835-Y839 VanDerWaalsContact O-CG 3.25Å; E835-Y839 PolarHBondContact O-N 3.33Å; I836-Y839 PolarHBondContact O-N 2.69Å; Y839-V842 PolarHBondContact O-N 3.07Å; Y839-V843 WeakPolarHBondContact O-CG2 3.41Å; Y839-V843 PolarHBondContact O-N 3.26Å
840	R	90	Very high	88.3	Confident	41 Å²	41	25.4 Å²	25.4	16%	0.155	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-41.9	170.7	-68.9	174.2	77	-159.5	2.1	111.9	E598 T761 I804 I836 Q837 F838 V843 Y844	E598-R840 VanDerWaalsContact CD-NH1 3.27Å; E598-R840 IonicContact OE1-CZ 2.61Å; E598-R840 IonicContact OE1-NH1 3.76Å; E598-R840 PolarHBondContact OE1-NH1 3.02Å; E598-R840 IonicContact OE2-CZ 3.15Å; E598-R840 IonicContact OE2-NH1 3.78Å; E598-R840 PolarHBondContact OE2-NH1 3.22Å; E598-R840 IonicContact OE2-NH2 3.12Å; E598-R840 PolarHBondContact OE2-NH2 2.82Å; T761-R840 WeakPolarHBondContact OG1-CD 3.32Å; T761-R840 PolarHBondContact OG1-NE 2.85Å; I804-R840 HydrophobicContact CD1-CG 4.16Å; I804-R840 HydrophobicContact CG2-CG 3.94Å; I836-R840 VanDerWaalsContact O-CG 3.25Å; I836-R840 WeakPolarHBondContact O-CG 3.23Å; I836-R840 PolarHBondContact O-N 3.5Å; Q837-R840 WeakPolarHBondContact O-CB 3.42Å; Q837-R840 PolarHBondContact O-N 2.96Å; Q837-R840 VanDerWaalsContact OE1-NH1 3.12Å; F838-R840 VanDerWaalsContact C-N 3.27Å; F838-R840 PolarHBondContact O-N 2.83Å; R840-V843 PolarHBondContact O-N 2.81Å; R840-Y844 PolarHBondContact O-N 3.11Å
841	G	90	Very high	89.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-46.1	173.4	0	0	0	0	0	112.6	C504 S505 Q837 F838 V843 Y844 H845	C504-G841 WeakPolarHBondContact O-CA 3.45Å; S505-G841 VanDerWaalsContact C-CA 3.47Å; S505-G841 WeakPolarHBondContact O-CA 3.22Å; S505-G841 PolarHBondContact O-N 3.36Å; Q837-G841 PolarHBondContact O-N 2.78Å; Q837-G841 VanDerWaalsContact O-N 3.11Å; F838-G841 WeakPolarHBondContact O-CA 2.81Å; F838-G841 PolarHBondContact O-N 3.07Å; F838-G841 VanDerWaalsContact O-N 3.07Å; G841-V843 VanDerWaalsContact C-N 3.28Å; G841-V843 PolarHBondContact O-N 3.06Å; G841-Y844 WeakPolarHBondContact O-CB 3.47Å; G841-Y844 PolarHBondContact O-N 2.86Å; G841-Y844 VanDerWaalsContact O-N 3.15Å; G841-H845 PolarHBondContact O-CD2 3.01Å; G841-H845 PolarHBondContact O-N 3.22Å
842	V	95	Very high	90.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.4	-42.1	174.5	175.1	0	0	0	0	111.5	I659 I662 I681 T684 L685 F838 Y839 H845 L846	I659-V842 HydrophobicContact CD1-CG2 3.92Å; I662-V842 HydrophobicContact CD1-CG1 4.17Å; I662-V842 HydrophobicContact CD1-CG2 4.43Å; I681-V842 HydrophobicContact CB-CG1 4.31Å; I681-V842 HydrophobicContact CG1-CG1 4.12Å; I681-V842 HydrophobicContact CG2-CG1 3.6Å; T684-V842 HydrophobicContact CG2-CG2 4.31Å; L685-V842 HydrophobicContact CD1-CG1 4.32Å; L685-V842 HydrophobicContact CD2-CB 4.2Å; L685-V842 HydrophobicContact CD2-CG1 4.1Å; L685-V842 HydrophobicContact CD2-CG2 4.06Å; L685-V842 HydrophobicContact CG-CG1 4.17Å; F838-V842 HydrophobicContact CD1-CG2 4.48Å; F838-V842 HydrophobicContact CE1-CG2 3.99Å; F838-V842 HydrophobicContact CE2-CG2 4.07Å; F838-V842 HydrophobicContact CZ-CG2 3.77Å; F838-V842 WeakPolarHBondContact O-CG2 3.35Å; F838-V842 PolarHBondContact O-N 2.82Å; Y839-V842 PolarHBondContact O-N 3.07Å; V842-H845 PolarHBondContact O-N 2.96Å; V842-L846 PolarHBondContact O-N 3.28Å
843	V	92.1	Very high	90.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-37.4	176.7	168.2	0	0	0	0	112.8	I804 P805 I806 M817 Y839 R840 G841 H845 L846 G847	I804-V843 HydrophobicContact CB-CG2 4.1Å; I804-V843 HydrophobicContact CD1-CG2 4.33Å; I804-V843 HydrophobicContact CG2-CB 3.88Å; I804-V843 HydrophobicContact CG2-CG1 3.82Å; I804-V843 HydrophobicContact CG2-CG2 3.88Å; P805-V843 VanDerWaalsContact O-CG1 3.22Å; P805-V843 WeakPolarHBondContact O-CG1 3.14Å; I806-V843 HydrophobicContact CB-CG1 4.11Å; I806-V843 HydrophobicContact CG1-CG1 3.76Å; I806-V843 HydrophobicContact CG2-CG1 4.37Å; M817-V843 HydrophobicContact CB-CG2 3.85Å; M817-V843 HydrophobicContact CE-CG2 3.24Å; M817-V843 HydrophobicContact CG-CG2 4.34Å; M817-V843 HydrophobicContact SD-CG2 3.62Å; Y839-V843 WeakPolarHBondContact O-CG2 3.41Å; Y839-V843 PolarHBondContact O-N 3.26Å; R840-V843 PolarHBondContact O-N 2.81Å; G841-V843 VanDerWaalsContact C-N 3.28Å; G841-V843 PolarHBondContact O-N 3.06Å; V843-H845 VanDerWaalsContact C-N 3.32Å; V843-H845 PolarHBondContact O-N 3.3Å; V843-L846 WeakPolarHBondContact O-CB 3.44Å; V843-L846 PolarHBondContact O-N 3.29Å; V843-G847 PolarHBondContact O-N 2.72Å
844	Y	88.5	Confident	90.8	Very high	32 Å²	32	12.7 Å²	12.7	13%	0.125	6%	0.058	C	C	.	.	H	α-helix	trans	-59.1	-46.3	173.2	177.3	-95.4	0	0	0	110.9	P807 R840 G841 G847 F848 Y1030	P807-Y844 HydrophobicContact CG-CD2 4.13Å; R840-Y844 PolarHBondContact O-N 3.11Å; G841-Y844 WeakPolarHBondContact O-CB 3.47Å; G841-Y844 PolarHBondContact O-N 2.86Å; G841-Y844 VanDerWaalsContact O-N 3.15Å; Y844-G847 PolarHBondContact O-N 2.72Å; Y844-F848 PolarHBondContact O-N 3.24Å; Y844-Y1030 PolarHBondContact OH-OH 3.18Å
845	H	91.6	Very high	90.9	Very high	24 Å²	24	11.5 Å²	11.5	11%	0.111	5%	0.052	C	C	.	.	H	α-helix	trans	-69.2	-31.4	177	-71.2	-67.8	0	0	0	113.5	I659 I662 L663 G841 V842 V843 G847 F848 A849	I659-H845 VanDerWaalsContact CG2-CD2 3.49Å; I659-H845 WeakPolarHBondContact CG2-CD2 3.37Å; I659-H845 WeakPolarHBondContact CG2-NE2 3.38Å; I662-H845 HydrophobicContact CG2-CB 4.03Å; L663-H845 WeakPolarHBondContact CD2-ND1 3.46Å; G841-H845 PolarHBondContact O-CD2 3.01Å; G841-H845 PolarHBondContact O-N 3.22Å; V842-H845 PolarHBondContact O-N 2.96Å; V843-H845 VanDerWaalsContact C-N 3.32Å; V843-H845 PolarHBondContact O-N 3.3Å; H845-G847 VanDerWaalsContact C-N 3.32Å; H845-F848 PolarHBondContact O-N 2.71Å; H845-A849 WeakPolarHBondContact O-CB 3.31Å; H845-A849 PolarHBondContact O-N 3.08Å
846	L	94.4	Very high	90.9	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-59.3	-45.3	169.3	173.3	59.1	0	0	0	111.5	M674 V677 Y678 I681 I702 I806 V842 V843 A849 F850	M674-L846 HydrophobicContact CE-CD1 3.52Å; V677-L846 HydrophobicContact CG1-CD1 4.22Å; Y678-L846 HydrophobicContact CD1-CD1 3.96Å; Y678-L846 HydrophobicContact CE1-CD1 3.67Å; I681-L846 HydrophobicContact CD1-CB 3.61Å; I681-L846 HydrophobicContact CD1-CD1 3.43Å; I681-L846 VanDerWaalsContact CD1-CD1 3.43Å; I681-L846 HydrophobicContact CD1-CD2 4.39Å; I681-L846 HydrophobicContact CD1-CG 3.96Å; I702-L846 HydrophobicContact CD1-CD2 3.99Å; I702-L846 HydrophobicContact CG2-CD2 4.38Å; I806-L846 HydrophobicContact CD1-CD2 3.91Å; I806-L846 HydrophobicContact CG1-CD2 4.42Å; I806-L846 HydrophobicContact CG2-CD2 4.41Å; I806-L846 HydrophobicContact CG2-CG 4.37Å; V842-L846 PolarHBondContact O-N 3.28Å; V843-L846 WeakPolarHBondContact O-CB 3.44Å; V843-L846 PolarHBondContact O-N 3.29Å; L846-A849 PolarHBondContact O-N 2.98Å; L846-F850 PolarHBondContact O-N 3.19Å
847	G	90.1	Very high	91	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.6	-40.9	178.2	0	0	0	0	0	114	P807 V843 Y844 H845 S851	P807-G847 CarbonylContact O-C 3.56Å; P807-G847 WeakPolarHBondContact O-CA 3.25Å; V843-G847 PolarHBondContact O-N 2.72Å; Y844-G847 PolarHBondContact O-N 2.72Å; H845-G847 VanDerWaalsContact C-N 3.32Å; G847-S851 PolarHBondContact O-N 2.88Å; G847-S851 PolarHBondContact O-OG 3.21Å
848	F	90.4	Very high	91.1	Very high	13 Å²	13	11.8 Å²	11.8	6%	0.057	5%	0.052	C	C	.	.	H	α-helix	trans	-60.1	-49.7	169.9	169.7	-101.3	0	0	0	111.7	L663 Y844 H845 F850 S851 L852 V1024 G1028 Y1030	L663-F848 HydrophobicContact CD2-CD1 3.79Å; L663-F848 HydrophobicContact CD2-CE1 3.73Å; Y844-F848 PolarHBondContact O-N 3.24Å; H845-F848 PolarHBondContact O-N 2.71Å; F848-F850 VanDerWaalsContact C-N 3.31Å; F848-F850 PolarHBondContact O-N 3.17Å; F848-S851 WeakPolarHBondContact O-CB 3.01Å; F848-S851 PolarHBondContact O-N 3.39Å; F848-L852 HydrophobicContact CE1-CD2 4.32Å; F848-L852 HydrophobicContact CZ-CD2 4.41Å; F848-L852 PolarHBondContact O-N 2.92Å; F848-V1024 HydrophobicContact CD2-CG2 4.44Å; F848-V1024 HydrophobicContact CE2-CG2 3.76Å; F848-G1028 WeakPolarHBondContact CE2-O 3.49Å; F848-G1028 WeakPolarHBondContact CZ-O 3.29Å; F848-Y1030 HydrophobicContact CD2-CE1 4.42Å; F848-Y1030 AromaticContact CD2-CE2 3.64Å; F848-Y1030 HydrophobicContact CD2-CE2 3.64Å; F848-Y1030 AromaticContact CD2-CZ 3.53Å; F848-Y1030 VanDerWaalsContact CD2-OH 3.25Å; F848-Y1030 WeakPolarHBondContact CD2-OH 3.42Å; F848-Y1030 HydrophobicContact CE2-CD2 4.38Å; F848-Y1030 AromaticContact CE2-CE2 3.74Å; F848-Y1030 HydrophobicContact CE2-CE2 3.74Å
849	A	92.6	Very high	91	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.9	-44.1	179.4	0	0	0	0	0	111.8	S666 M674 V677 H845 L846 S851 L852 I853	S666-A849 VanDerWaalsContact OG-CB 3.23Å; S666-A849 WeakPolarHBondContact OG-CB 3.49Å; M674-A849 HydrophobicContact CE-CB 4.43Å; V677-A849 HydrophobicContact CG1-CB 3.77Å; V677-A849 HydrophobicContact CG2-CB 4.38Å; H845-A849 WeakPolarHBondContact O-CB 3.31Å; H845-A849 PolarHBondContact O-N 3.08Å; L846-A849 PolarHBondContact O-N 2.98Å; A849-S851 VanDerWaalsContact C-N 3.32Å; A849-S851 PolarHBondContact O-N 2.74Å; A849-L852 PolarHBondContact O-N 3.09Å; A849-I853 WeakPolarHBondContact O-CB 3.39Å; A849-I853 WeakPolarHBondContact O-CG1 3.42Å; A849-I853 PolarHBondContact O-N 2.93Å
850	F	91.7	Very high	90.9	Very high	34 Å²	34	11.9 Å²	11.9	15%	0.149	5%	0.053	C	C	.	.	H	α-helix	trans	-58.2	-44.6	173.9	-177.4	-87.2	0	0	0	111.9	M674 L704 I814 L846 F848 N854	M674-F850 HydrophobicContact CE-CB 4.01Å; M674-F850 HydrophobicContact CE-CD2 4.42Å; M674-F850 HydrophobicContact CG-CD2 4.4Å; M674-F850 HydrophobicContact SD-CB 4.3Å; M674-F850 HydrophobicContact SD-CD2 4.34Å; L704-F850 HydrophobicContact CD1-CD2 4.39Å; L704-F850 HydrophobicContact CD1-CE2 4.04Å; I814-F850 HydrophobicContact CD1-CB 3.98Å; I814-F850 HydrophobicContact CD1-CD1 3.37Å; I814-F850 HydrophobicContact CD1-CD2 4.34Å; I814-F850 HydrophobicContact CD1-CE1 3.91Å; I814-F850 HydrophobicContact CD1-CG 3.62Å; L846-F850 PolarHBondContact O-N 3.19Å; F848-F850 VanDerWaalsContact C-N 3.31Å; F848-F850 PolarHBondContact O-N 3.17Å; F850-N854 WeakPolarHBondContact O-CB 2.98Å; F850-N854 PolarHBondContact O-N 3.15Å
851	S	90.7	Very high	90.9	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.028	5%	0.05	C	C	.	.	H	α-helix	trans	-65.1	-43.2	-179.7	-54.1	0	0	0	0	111.7	A809 G847 F848 A849 N854 S855 I1022	A809-S851 PolarHBondContact N-OG 2.89Å; G847-S851 PolarHBondContact O-N 2.88Å; G847-S851 PolarHBondContact O-OG 3.21Å; F848-S851 WeakPolarHBondContact O-CB 3.01Å; F848-S851 PolarHBondContact O-N 3.39Å; A849-S851 VanDerWaalsContact C-N 3.32Å; A849-S851 PolarHBondContact O-N 2.74Å; S851-N854 PolarHBondContact O-N 3.25Å; S851-S855 WeakPolarHBondContact O-CB 3.27Å; S851-S855 PolarHBondContact O-N 3.16Å; S851-I1022 WeakPolarHBondContact O-CG2 3.38Å
852	L	91.4	Very high	91	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-49.7	177.9	174.5	59.3	0	0	0	112	L667 F848 A849 N854 S855 R856 D1025	L667-L852 HydrophobicContact CD2-CD2 3.89Å; F848-L852 HydrophobicContact CE1-CD2 4.32Å; F848-L852 HydrophobicContact CZ-CD2 4.41Å; F848-L852 PolarHBondContact O-N 2.92Å; A849-L852 PolarHBondContact O-N 3.09Å; L852-N854 VanDerWaalsContact C-N 3.3Å; L852-N854 PolarHBondContact O-N 3.38Å; L852-S855 WeakPolarHBondContact O-CB 3.35Å; L852-S855 PolarHBondContact O-N 2.89Å; L852-S855 VanDerWaalsContact O-N 3.13Å; L852-R856 PolarHBondContact O-N 3.17Å; L852-D1025 WeakPolarHBondContact CD1-O 3.37Å
853	I	90	Very high	90.9	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.4	-70	162.8	0	0	0	110.1	T669 M674 V677 A849 S855 R856 Y857	T669-I853 HydrophobicContact CG2-CD1 3.77Å; T669-I853 HydrophobicContact CG2-CG1 4.29Å; M674-I853 HydrophobicContact SD-CB 4.5Å; M674-I853 HydrophobicContact SD-CD1 3.44Å; M674-I853 WeakPolarHBondContact SD-CD1 3.36Å; V677-I853 HydrophobicContact CG2-CD1 3.97Å; A849-I853 WeakPolarHBondContact O-CB 3.39Å; A849-I853 WeakPolarHBondContact O-CG1 3.42Å; A849-I853 PolarHBondContact O-N 2.93Å; I853-S855 VanDerWaalsContact C-N 3.32Å; I853-S855 PolarHBondContact O-N 3.41Å; I853-R856 PolarHBondContact O-N 3.05Å; I853-Y857 WeakPolarHBondContact O-CB 3Å; I853-Y857 PolarHBondContact O-N 2.89Å
854	N	89.5	Confident	90.9	Very high	37 Å²	37	12 Å²	12	20%	0.198	6%	0.056	C	C	.	.	H	α-helix	trans	-63.7	-36.6	175.1	-170	41.3	0	0	0	112.5	F850 S851 L852 Y857 L858	F850-N854 WeakPolarHBondContact O-CB 2.98Å; F850-N854 PolarHBondContact O-N 3.15Å; S851-N854 PolarHBondContact O-N 3.25Å; L852-N854 VanDerWaalsContact C-N 3.3Å; L852-N854 PolarHBondContact O-N 3.38Å; N854-Y857 PolarHBondContact O-N 3.08Å; N854-L858 WeakPolarHBondContact O-CB 3.08Å; N854-L858 VanDerWaalsContact O-CG 3.3Å; N854-L858 WeakPolarHBondContact O-CG 3.36Å; N854-L858 PolarHBondContact O-N 2.88Å
855	S	89.8	Confident	91	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-48.1	174.6	-169.3	0	0	0	0	112.2	S851 L852 I853 Y857 L858 L859 L1018 V1024	S851-S855 WeakPolarHBondContact O-CB 3.27Å; S851-S855 PolarHBondContact O-N 3.16Å; L852-S855 WeakPolarHBondContact O-CB 3.35Å; L852-S855 PolarHBondContact O-N 2.89Å; L852-S855 VanDerWaalsContact O-N 3.13Å; I853-S855 VanDerWaalsContact C-N 3.32Å; I853-S855 PolarHBondContact O-N 3.41Å; S855-Y857 PolarHBondContact O-N 3.21Å; S855-L858 PolarHBondContact O-N 3.25Å; S855-L859 WeakPolarHBondContact O-CB 3.15Å; S855-L859 PolarHBondContact O-N 3.49Å; S855-L1018 WeakPolarHBondContact OG-CD2 3.1Å; S855-V1024 PolarHBondContact OG-O 2.91Å
856	R	89.5	Confident	90.9	Very high	14 Å²	14	12 Å²	12	5%	0.053	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.2	-67.8	174	177.3	178.6	-5.3	112.2	L667 T669 L852 I853 L859 S860 T1026	L667-R856 PolarHBondContact O-NH1 2.94Å; L667-R856 PolarHBondContact O-NH2 3.3Å; T669-R856 PolarHBondContact O-NH1 3.46Å; L852-R856 PolarHBondContact O-N 3.17Å; I853-R856 PolarHBondContact O-N 3.05Å; R856-L859 PolarHBondContact O-N 3.49Å; R856-S860 WeakPolarHBondContact O-CB 3.25Å; R856-S860 PolarHBondContact O-N 3.2Å; R856-S860 PolarHBondContact O-OG 2.93Å; R856-T1026 HydrophobicContact CG-CG2 4.01Å; R856-T1026 PolarHBondContact NE-O 3.3Å; R856-T1026 PolarHBondContact NH2-O 2.93Å
857	Y	88.5	Confident	90.9	Very high	24 Å²	24	11.9 Å²	11.9	9%	0.094	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-47.7	176.2	170.4	-108.9	0	0	0	112.4	Q578 N672 I853 N854 S855 S860 S861	Q578-Y857 HydrophobicContact CG-CE1 4.46Å; Q578-Y857 PolarHBondContact NE2-OH 2.81Å; Q578-Y857 PolarHBondContact OE1-OH 2.89Å; N672-Y857 HydrophobicContact CB-CD2 4.1Å; N672-Y857 WeakPolarHBondContact OD1-CA 3.38Å; N672-Y857 WeakPolarHBondContact OD1-CB 3.46Å; I853-Y857 WeakPolarHBondContact O-CB 3Å; I853-Y857 PolarHBondContact O-N 2.89Å; N854-Y857 PolarHBondContact O-N 3.08Å; S855-Y857 PolarHBondContact O-N 3.21Å; Y857-S860 PolarHBondContact O-N 2.96Å; Y857-S861 WeakPolarHBondContact O-CB 3.5Å; Y857-S861 PolarHBondContact O-N 2.73Å; Y857-S861 PolarHBondContact O-OG 3.46Å
858	L	90	Very high	90.8	Very high	13 Å²	13	13.6 Å²	13.6	7%	0.068	6%	0.064	C	C	.	.	H	α-helix	trans	-67.3	-38.8	180	-71.3	172.4	0	0	0	111.4	N854 S855 S861 M862 L1018 Y1021 I1022 P1068	N854-L858 WeakPolarHBondContact O-CB 3.08Å; N854-L858 VanDerWaalsContact O-CG 3.3Å; N854-L858 WeakPolarHBondContact O-CG 3.36Å; N854-L858 PolarHBondContact O-N 2.88Å; S855-L858 PolarHBondContact O-N 3.25Å; L858-S861 PolarHBondContact O-N 2.89Å; L858-M862 WeakPolarHBondContact O-CB 3.28Å; L858-M862 PolarHBondContact O-N 3.31Å; L858-L1018 HydrophobicContact CB-CD1 3.58Å; L858-L1018 HydrophobicContact CB-CG 4.31Å; L858-Y1021 HydrophobicContact CD1-CE1 4.45Å; L858-I1022 HydrophobicContact CD1-CD1 3.71Å; L858-I1022 HydrophobicContact CD1-CG1 4.36Å; L858-P1068 HydrophobicContact CB-CG 4.5Å; L858-P1068 HydrophobicContact CD2-CG 3.55Å
859	L	91.8	Very high	90.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-49.7	172	175.8	62.1	0	0	0	110.8	S855 R856 S861 M862 I863 F882 F977 Y1015 L1018 T1026	S855-L859 WeakPolarHBondContact O-CB 3.15Å; S855-L859 PolarHBondContact O-N 3.49Å; R856-L859 PolarHBondContact O-N 3.49Å; L859-S861 VanDerWaalsContact C-N 3.3Å; L859-S861 PolarHBondContact O-N 2.95Å; L859-M862 HydrophobicContact CD1-CE 3.65Å; L859-M862 WeakPolarHBondContact O-CB 3.34Å; L859-M862 PolarHBondContact O-N 2.6Å; L859-I863 HydrophobicContact CD1-CD1 3.71Å; L859-I863 HydrophobicContact CD1-CG1 4.07Å; L859-I863 HydrophobicContact CG-CD1 3.89Å; L859-I863 WeakPolarHBondContact O-CG1 3.27Å; L859-I863 PolarHBondContact O-N 3.46Å; L859-F882 HydrophobicContact CD2-CE1 4.02Å; L859-F882 HydrophobicContact CD2-CZ 4.19Å; L859-F977 HydrophobicContact CD1-CE1 4.13Å; L859-F977 HydrophobicContact CD1-CZ 4.47Å; L859-Y1015 HydrophobicContact CD1-CD2 3.88Å; L859-Y1015 HydrophobicContact CD1-CE2 4.44Å; L859-Y1015 HydrophobicContact CD2-CD2 4.47Å; L859-Y1015 HydrophobicContact CD2-CE2 4.25Å; L859-L1018 HydrophobicContact CB-CD1 4.36Å; L859-T1026 HydrophobicContact CB-CG2 4.34Å; L859-T1026 HydrophobicContact CD2-CG2 3.73Å
860	S	91	Very high	90.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-41.9	179.9	-56.8	0	0	0	0	111.6	R856 Y857 H864 L924	R856-S860 WeakPolarHBondContact O-CB 3.25Å; R856-S860 PolarHBondContact O-N 3.2Å; R856-S860 PolarHBondContact O-OG 2.93Å; Y857-S860 PolarHBondContact O-N 2.96Å; S860-H864 VanDerWaalsContact O-CB 3.28Å; S860-H864 WeakPolarHBondContact O-CB 3.34Å; S860-H864 PolarHBondContact O-N 2.95Å; S860-L924 WeakPolarHBondContact OG-CD2 3.36Å
861	S	90.2	Very high	90.2	Very high	14 Å²	14	13.6 Å²	13.6	10%	0.098	6%	0.063	C	C	.	.	H	α-helix	trans	-65	-42.7	177.2	-60.7	0	0	0	0	111.9	Y857 L858 L859 H864 Y865	Y857-S861 WeakPolarHBondContact O-CB 3.5Å; Y857-S861 PolarHBondContact O-N 2.73Å; Y857-S861 PolarHBondContact O-OG 3.46Å; L858-S861 PolarHBondContact O-N 2.89Å; L859-S861 VanDerWaalsContact C-N 3.3Å; L859-S861 PolarHBondContact O-N 2.95Å; S861-H864 WeakPolarHBondContact O-CB 3.31Å; S861-H864 PolarHBondContact O-N 2.68Å; S861-Y865 WeakPolarHBondContact O-CD2 3.33Å; S861-Y865 PolarHBondContact O-N 2.79Å; S861-Y865 VanDerWaalsContact O-N 3.08Å
862	M	91.6	Very high	89.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-48.9	177.5	-178.6	-173.6	82.8	0	0	110.8	L858 L859 H864 Y865 A866 A1014 F1066 P1068 I1071	L858-M862 WeakPolarHBondContact O-CB 3.28Å; L858-M862 PolarHBondContact O-N 3.31Å; L859-M862 HydrophobicContact CD1-CE 3.65Å; L859-M862 WeakPolarHBondContact O-CB 3.34Å; L859-M862 PolarHBondContact O-N 2.6Å; M862-H864 VanDerWaalsContact C-N 3.32Å; M862-H864 PolarHBondContact O-N 3.23Å; M862-Y865 PolarHBondContact O-N 2.69Å; M862-A866 WeakPolarHBondContact O-CB 3.31Å; M862-A866 PolarHBondContact O-N 2.92Å; M862-A1014 HydrophobicContact CE-CB 4.18Å; M862-A1014 HydrophobicContact SD-CB 3.29Å; M862-A1014 WeakPolarHBondContact SD-CB 3.39Å; M862-F1066 HydrophobicContact SD-CZ 4.34Å; M862-P1068 HydrophobicContact CB-CB 4.09Å; M862-I1071 HydrophobicContact CG-CB 4.13Å; M862-I1071 HydrophobicContact CG-CG1 4.3Å; M862-I1071 HydrophobicContact CG-CG2 4.27Å
863	I	93	Very high	89.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-40.9	177.8	-65.9	176.3	0	0	0	110.7	L859 Y865 A866 F867 F882 V925	L859-I863 HydrophobicContact CD1-CD1 3.71Å; L859-I863 HydrophobicContact CD1-CG1 4.07Å; L859-I863 HydrophobicContact CG-CD1 3.89Å; L859-I863 WeakPolarHBondContact O-CG1 3.27Å; L859-I863 PolarHBondContact O-N 3.46Å; I863-Y865 PolarHBondContact O-N 3Å; I863-A866 PolarHBondContact O-N 3.44Å; I863-F867 HydrophobicContact CG2-CD1 3.97Å; I863-F867 HydrophobicContact CG2-CD2 3.88Å; I863-F867 HydrophobicContact CG2-CE1 3.7Å; I863-F867 HydrophobicContact CG2-CE2 3.6Å; I863-F867 HydrophobicContact CG2-CG 4.07Å; I863-F867 HydrophobicContact CG2-CZ 3.51Å; I863-F867 WeakPolarHBondContact O-CB 3.31Å; I863-F867 WeakPolarHBondContact O-CG 3.4Å; I863-F867 PolarHBondContact O-N 3.43Å; I863-F882 HydrophobicContact CD1-CB 4.14Å; I863-F882 HydrophobicContact CD1-CD1 3.28Å; I863-F882 HydrophobicContact CD1-CD2 3.9Å; I863-F882 HydrophobicContact CD1-CE1 3.49Å; I863-F882 VanDerWaalsContact CD1-CE1 3.49Å; I863-F882 HydrophobicContact CD1-CE2 4.05Å; I863-F882 HydrophobicContact CD1-CG 3.5Å; I863-F882 VanDerWaalsContact CD1-CG 3.5Å; I863-F882 HydrophobicContact CD1-CZ 3.86Å; I863-F882 HydrophobicContact CG2-CB 4Å; I863-F882 HydrophobicContact CG2-CG 4.49Å; I863-V925 HydrophobicContact CB-CG2 4.22Å; I863-V925 HydrophobicContact CG2-CB 3.81Å; I863-V925 HydrophobicContact CG2-CG1 3.97Å; I863-V925 HydrophobicContact CG2-CG2 4.04Å
864	H	92.1	Very high	89	Confident	30 Å²	30	23.1 Å²	23.1	14%	0.139	10%	0.103	C	C	.	.	H	α-helix	trans	-55.3	-53.7	175.5	170.1	-71.3	0	0	0	111.7	S860 S861 M862 A866 F867 D868 V925 T933 V935	S860-H864 VanDerWaalsContact O-CB 3.28Å; S860-H864 WeakPolarHBondContact O-CB 3.34Å; S860-H864 PolarHBondContact O-N 2.95Å; S861-H864 WeakPolarHBondContact O-CB 3.31Å; S861-H864 PolarHBondContact O-N 2.68Å; M862-H864 VanDerWaalsContact C-N 3.32Å; M862-H864 PolarHBondContact O-N 3.23Å; H864-A866 VanDerWaalsContact C-N 3.31Å; H864-A866 PolarHBondContact O-N 3.09Å; H864-F867 PolarHBondContact O-N 3.04Å; H864-D868 IonicContact CE1-OD2 3.92Å; H864-D868 PolarHBondContact CE1-OD2 3.37Å; H864-D868 IonicContact ND1-OD2 3.5Å; H864-D868 IonicContact NE2-OD2 3.52Å; H864-D868 PolarHBondContact O-N 2.97Å; H864-V925 HydrophobicContact CB-CG1 4.45Å; H864-T933 HydrophobicContact CB-CG2 4.28Å; H864-V935 HydrophobicContact CB-CG2 4.28Å
865	Y	90.1	Very high	88.3	Confident	58 Å²	58	24.9 Å²	24.9	23%	0.227	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-38.4	179.4	-69.1	-56.4	0	0	0	112.5	S861 M862 I863 W869 P1068 K1069	S861-Y865 WeakPolarHBondContact O-CD2 3.33Å; S861-Y865 PolarHBondContact O-N 2.79Å; S861-Y865 VanDerWaalsContact O-N 3.08Å; M862-Y865 PolarHBondContact O-N 2.69Å; I863-Y865 PolarHBondContact O-N 3Å; Y865-W869 PolarHBondContact O-N 2.99Å; Y865-P1068 HydrophobicContact CD2-CB 4.22Å; Y865-P1068 HydrophobicContact CE2-CB 4.37Å; Y865-K1069 HydrophobicContact CD1-CG 4.06Å; Y865-K1069 HydrophobicContact CD2-CB 4.37Å; Y865-K1069 HydrophobicContact CD2-CG 3.59Å; Y865-K1069 HydrophobicContact CE1-CD 4.23Å; Y865-K1069 HydrophobicContact CE1-CG 3.84Å; Y865-K1069 HydrophobicContact CE2-CB 4.44Å; Y865-K1069 HydrophobicContact CE2-CD 4.31Å; Y865-K1069 HydrophobicContact CE2-CG 3.32Å; Y865-K1069 HydrophobicContact CG-CG 3.97Å; Y865-K1069 VanDerWaalsContact CZ-CG 3.46Å; Y865-K1069 WeakPolarHBondContact OH-CE 3.36Å
866	A	91.2	Very high	87.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.8	-41.2	179.8	0	0	0	0	0	112.2	M862 I863 H864 W869 I870 F1011 I1071 L1075	M862-A866 WeakPolarHBondContact O-CB 3.31Å; M862-A866 PolarHBondContact O-N 2.92Å; I863-A866 PolarHBondContact O-N 3.44Å; H864-A866 VanDerWaalsContact C-N 3.31Å; H864-A866 PolarHBondContact O-N 3.09Å; A866-W869 PolarHBondContact O-N 3.4Å; A866-I870 WeakPolarHBondContact O-CB 3.4Å; A866-I870 VanDerWaalsContact O-CG1 3.27Å; A866-I870 WeakPolarHBondContact O-CG1 3.43Å; A866-I870 PolarHBondContact O-N 3.36Å; A866-F1011 HydrophobicContact CB-CD2 4.43Å; A866-F1011 HydrophobicContact CB-CE1 3.75Å; A866-F1011 HydrophobicContact CB-CE2 3.56Å; A866-F1011 HydrophobicContact CB-CZ 3.16Å; A866-I1071 HydrophobicContact CB-CG1 3.87Å; A866-I1071 HydrophobicContact CB-CG2 4.1Å; A866-L1075 HydrophobicContact CB-CD1 3.96Å
867	F	92.9	Very high	87.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.3	-41.9	175.3	-76.3	5.4	0	0	0	111.7	I863 H864 W869 I870 Y871 I880 F882 V925 T933 I988 F1011	I863-F867 HydrophobicContact CG2-CD1 3.97Å; I863-F867 HydrophobicContact CG2-CD2 3.88Å; I863-F867 HydrophobicContact CG2-CE1 3.7Å; I863-F867 HydrophobicContact CG2-CE2 3.6Å; I863-F867 HydrophobicContact CG2-CG 4.07Å; I863-F867 HydrophobicContact CG2-CZ 3.51Å; I863-F867 WeakPolarHBondContact O-CB 3.31Å; I863-F867 WeakPolarHBondContact O-CG 3.4Å; I863-F867 PolarHBondContact O-N 3.43Å; H864-F867 PolarHBondContact O-N 3.04Å; F867-W869 VanDerWaalsContact C-N 3.26Å; F867-W869 PolarHBondContact O-N 2.98Å; F867-I870 PolarHBondContact O-N 2.92Å; F867-Y871 WeakPolarHBondContact O-CB 3.5Å; F867-Y871 PolarHBondContact O-N 3.26Å; F867-I880 HydrophobicContact CB-CG2 4.26Å; F867-I880 HydrophobicContact CD1-CD1 3.73Å; F867-I880 HydrophobicContact CD1-CG1 4.07Å; F867-I880 HydrophobicContact CD1-CG2 4.48Å; F867-I880 HydrophobicContact CD2-CG1 4.2Å; F867-I880 HydrophobicContact CD2-CG2 3.93Å; F867-I880 HydrophobicContact CE1-CD1 3.56Å; F867-I880 HydrophobicContact CE1-CG1 3.72Å; F867-I880 HydrophobicContact CE2-CG1 3.88Å; F867-I880 HydrophobicContact CE2-CG2 4.37Å; F867-I880 HydrophobicContact CG-CD1 4.32Å; F867-I880 HydrophobicContact CG-CG1 4.29Å; F867-I880 HydrophobicContact CG-CG2 3.99Å; F867-I880 HydrophobicContact CZ-CD1 4.03Å; F867-I880 HydrophobicContact CZ-CG1 3.62Å; F867-F882 HydrophobicContact CE2-CB 4.12Å; F867-F882 HydrophobicContact CZ-CB 3.92Å; F867-V925 HydrophobicContact CD2-CG1 3.94Å; F867-V925 HydrophobicContact CE2-CB 4.4Å; F867-V925 HydrophobicContact CE2-CG1 4.25Å; F867-T933 HydrophobicContact CB-CG2 4.39Å; F867-I988 HydrophobicContact CE1-CG2 4.32Å; F867-I988 HydrophobicContact CZ-CG2 4.2Å; F867-F1011 HydrophobicContact CD1-CE1 4.19Å; F867-F1011 HydrophobicContact CD1-CZ 4.34Å; F867-F1011 AromaticContact CE1-CE1 3.91Å; F867-F1011 HydrophobicContact CE1-CE1 3.91Å; F867-F1011 HydrophobicContact CE1-CZ 4.4Å
868	D	88.7	Confident	87.7	Confident	36 Å²	36	29.4 Å²	29.4	19%	0.193	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-40.8	172.9	-87.4	-17.9	0	0	0	112	H864 K872 K927 T933	H864-D868 IonicContact CE1-OD2 3.92Å; H864-D868 PolarHBondContact CE1-OD2 3.37Å; H864-D868 IonicContact ND1-OD2 3.5Å; H864-D868 IonicContact NE2-OD2 3.52Å; H864-D868 PolarHBondContact O-N 2.97Å; D868-K872 VanDerWaalsContact O-CG 3.32Å; D868-K872 WeakPolarHBondContact O-CG 3.46Å; D868-K872 PolarHBondContact O-N 3.45Å; D868-K927 IonicContact OD1-NZ 2.87Å; D868-K927 PolarHBondContact OD1-NZ 3.12Å; D868-T933 PolarHBondContact OD1-OG1 3.1Å
869	W	87.9	Confident	87.6	Confident	6 Å²	6	29.8 Å²	29.8	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-53.1	176.6	-172.8	-95	0	0	0	112.3	Y865 A866 F867 Y871 K872 R873 V1072 L1075 A1076 E1079 L1195 I1199 E1202	Y865-W869 PolarHBondContact O-N 2.99Å; A866-W869 PolarHBondContact O-N 3.4Å; F867-W869 VanDerWaalsContact C-N 3.26Å; F867-W869 PolarHBondContact O-N 2.98Å; W869-Y871 VanDerWaalsContact C-N 3.31Å; W869-Y871 PolarHBondContact O-N 3.14Å; W869-K872 PolarHBondContact O-N 3.48Å; W869-R873 WeakPolarHBondContact O-CG 3.44Å; W869-R873 PolarHBondContact O-N 3.47Å; W869-V1072 HydrophobicContact CD2-CG1 3.81Å; W869-V1072 HydrophobicContact CE3-CG1 3.32Å; W869-V1072 HydrophobicContact CG-CG1 4.43Å; W869-V1072 HydrophobicContact CH2-CG1 4.32Å; W869-V1072 HydrophobicContact CZ3-CG1 3.6Å; W869-L1075 HydrophobicContact CB-CD1 4.25Å; W869-L1075 HydrophobicContact CG-CB 4.39Å; W869-L1075 HydrophobicContact CG-CD1 4.29Å; W869-A1076 HydrophobicContact CH2-CB 3.97Å; W869-A1076 HydrophobicContact CZ2-CB 3.54Å; W869-E1079 PolarHBondContact NE1-OE2 3.12Å; W869-L1195 HydrophobicContact CH2-CD1 4.24Å; W869-L1195 HydrophobicContact CZ2-CD1 3.9Å; W869-I1199 HydrophobicContact CH2-CG1 4.22Å; W869-E1202 WeakPolarHBondContact CZ3-OE2 3.42Å
870	I	88.9	Confident	87.7	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-43.9	-177.8	-70.2	171.5	0	0	0	111	A866 F867 K872 R873 L874 I877 Y1003 F1011	A866-I870 WeakPolarHBondContact O-CB 3.4Å; A866-I870 VanDerWaalsContact O-CG1 3.27Å; A866-I870 WeakPolarHBondContact O-CG1 3.43Å; A866-I870 PolarHBondContact O-N 3.36Å; F867-I870 PolarHBondContact O-N 2.92Å; I870-K872 PolarHBondContact O-N 3.15Å; I870-R873 PolarHBondContact O-N 3.2Å; I870-L874 HydrophobicContact CG2-CD1 3.8Å; I870-L874 HydrophobicContact CG2-CG 4.37Å; I870-L874 PolarHBondContact O-N 3.34Å; I870-I877 HydrophobicContact CG2-CD1 4.21Å; I870-Y1003 HydrophobicContact CG1-CE1 4.2Å; I870-Y1003 HydrophobicContact CG2-CE1 4.38Å; I870-F1011 HydrophobicContact CD1-CE2 3.9Å; I870-F1011 HydrophobicContact CD1-CZ 3.57Å
871	Y	86.3	Confident	87.8	Confident	40 Å²	40	29.8 Å²	29.8	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-34.1	-176.3	-159.1	-80	0	0	0	112.7	F867 W869 R873 I877 D878 I880 K927 G929	F867-Y871 WeakPolarHBondContact O-CB 3.5Å; F867-Y871 PolarHBondContact O-N 3.26Å; W869-Y871 VanDerWaalsContact C-N 3.31Å; W869-Y871 PolarHBondContact O-N 3.14Å; Y871-R873 PolarHBondContact O-N 3.05Å; Y871-I877 HydrophobicContact CD2-CB 4.36Å; Y871-I877 HydrophobicContact CD2-CG2 4.1Å; Y871-I877 HydrophobicContact CE2-CB 4.13Å; Y871-I877 HydrophobicContact CE2-CG2 3.83Å; Y871-I877 WeakPolarHBondContact CE2-O 3.46Å; Y871-I877 VanDerWaalsContact CZ-O 3.24Å; Y871-I877 PolarHBondContact OH-O 3.18Å; Y871-D878 PolarHBondContact OH-O 2.97Å; Y871-I880 HydrophobicContact CD2-CG2 4.11Å; Y871-K927 VanDerWaalsContact CB-CD 3.41Å; Y871-K927 HydrophobicContact CD1-CD 4.13Å; Y871-K927 VanDerWaalsContact CD1-CE 3.48Å; Y871-K927 HydrophobicContact CD2-CB 4.5Å; Y871-K927 HydrophobicContact CD2-CD 3.68Å; Y871-K927 HydrophobicContact CD2-CG 4.01Å; Y871-K927 HydrophobicContact CE2-CG 4.44Å; Y871-K927 HydrophobicContact CG-CD 3.46Å; Y871-K927 VanDerWaalsContact CG-CD 3.46Å; Y871-K927 HydrophobicContact CG-CG 4.19Å; Y871-G929 WeakPolarHBondContact CE1-O 3.45Å; Y871-G929 WeakPolarHBondContact OH-CA 3.44Å; Y871-G929 PolarHBondContact OH-N 3.19Å
872	K	83	Confident	88	Confident	132 Å²	132	29.1 Å²	29.1	57%	0.574	15%	0.153	S	C	*	.	H	α-helix	trans	-62.6	-24	171.7	-78.2	174.6	176.6	177.8	0	112.5	D868 W869 I870 E1202	D868-K872 VanDerWaalsContact O-CG 3.32Å; D868-K872 WeakPolarHBondContact O-CG 3.46Å; D868-K872 PolarHBondContact O-N 3.45Å; W869-K872 PolarHBondContact O-N 3.48Å; I870-K872 PolarHBondContact O-N 3.15Å; K872-E1202 IonicContact NZ-OE1 3.92Å; K872-E1202 PolarHBondContact NZ-OE1 3.28Å
873	R	80.4	Confident	88	Confident	67 Å²	67	29.3 Å²	29.3	25%	0.253	15%	0.154	S	C	.	.	H	α-helix	trans	-96.2	-38.4	-178.2	-59.9	-58.3	179.7	-152.7	-9.5	113.3	W869 I870 Y871 E1079 I1198	W869-R873 WeakPolarHBondContact O-CG 3.44Å; W869-R873 PolarHBondContact O-N 3.47Å; I870-R873 PolarHBondContact O-N 3.2Å; Y871-R873 PolarHBondContact O-N 3.05Å; R873-E1079 VanDerWaalsContact CD-OE1 3.3Å; R873-E1079 WeakPolarHBondContact CD-OE1 3.29Å; R873-E1079 IonicContact NE-OE1 3.24Å; R873-E1079 PolarHBondContact NE-OE1 3.08Å; R873-E1079 IonicContact NE-OE2 3.59Å; R873-E1079 PolarHBondContact NE-OE2 3.41Å; R873-I1198 VanDerWaalsContact NH1-CD1 3.25Å
874	L	83	Confident	87.9	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.052	15%	0.154	C	C	.	.			trans	-98.7	91.5	-177.9	-64.2	-178.6	0	0	0	111	I870 N876 I877 Q1000 Y1003	I870-L874 HydrophobicContact CG2-CD1 3.8Å; I870-L874 HydrophobicContact CG2-CG 4.37Å; I870-L874 PolarHBondContact O-N 3.34Å; L874-N876 PolarHBondContact O-N 3.42Å; L874-N876 VanDerWaalsContact O-N 3.1Å; L874-I877 HydrophobicContact CB-CD1 3.61Å; L874-I877 HydrophobicContact CB-CG1 3.92Å; L874-I877 HydrophobicContact CD1-CD1 3.55Å; L874-I877 HydrophobicContact CD1-CG1 4.42Å; L874-I877 HydrophobicContact CG-CD1 4.22Å; L874-I877 PolarHBondContact O-N 3.37Å; L874-Q1000 HydrophobicContact CD2-CB 4Å; L874-Q1000 HydrophobicContact CD2-CG 3.78Å; L874-Y1003 HydrophobicContact CD1-CD1 4Å; L874-Y1003 HydrophobicContact CD1-CE1 4.32Å; L874-Y1003 HydrophobicContact CD2-CD1 4.31Å; L874-Y1003 HydrophobicContact CG-CD1 4.24Å; L874-Y1003 HydrophobicContact CG-CE1 4.38Å
875	G	74.3	Confident	87.7	Confident	75 Å²	75	29.8 Å²	29.8	77%	0.773	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.8	179.9	0	0	0	0	0	116.3
876	N	80.6	Confident	87.1	Confident	76 Å²	76	27.9 Å²	27.9	41%	0.406	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.4	-176.8	-67.5	-4.5	0	0	0	113.7	L874 L996 Q1000	L874-N876 PolarHBondContact O-N 3.42Å; L874-N876 VanDerWaalsContact O-N 3.1Å; N876-L996 HydrophobicContact CB-CD2 4.14Å; N876-Q1000 PolarHBondContact ND2-NE2 3.08Å; N876-Q1000 PolarHBondContact ND2-OE1 3.22Å
877	I	86.6	Confident	85.9	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	17%	0.17	C	C	.	.			trans	-88.2	124.6	-178.9	-62	179.5	0	0	0	109.2	I870 Y871 L874 E879 I880 V990	I870-I877 HydrophobicContact CG2-CD1 4.21Å; Y871-I877 HydrophobicContact CD2-CB 4.36Å; Y871-I877 HydrophobicContact CD2-CG2 4.1Å; Y871-I877 HydrophobicContact CE2-CB 4.13Å; Y871-I877 HydrophobicContact CE2-CG2 3.83Å; Y871-I877 WeakPolarHBondContact CE2-O 3.46Å; Y871-I877 VanDerWaalsContact CZ-O 3.24Å; Y871-I877 PolarHBondContact OH-O 3.18Å; L874-I877 HydrophobicContact CB-CD1 3.61Å; L874-I877 HydrophobicContact CB-CG1 3.92Å; L874-I877 HydrophobicContact CD1-CD1 3.55Å; L874-I877 HydrophobicContact CD1-CG1 4.42Å; L874-I877 HydrophobicContact CG-CD1 4.22Å; L874-I877 PolarHBondContact O-N 3.37Å; I877-E879 WeakPolarHBondContact CG2-O 3.49Å; I877-I880 HydrophobicContact CG2-CB 4.22Å; I877-V990 HydrophobicContact CD1-CG1 3.67Å; I877-V990 HydrophobicContact CG1-CG1 3.83Å; I877-V990 HydrophobicContact CG2-CG1 3.93Å
878	D	87.4	Confident	83.9	Confident	52 Å²	52	34.4 Å²	34.4	28%	0.278	18%	0.184	S	C	.	.	S	Bend	trans	-82.8	-43.8	173.2	-61.3	-72.9	0	0	0	110.9	Y871 G929 C991 C992 L993	Y871-D878 PolarHBondContact OH-O 2.97Å; D878-G929 PolarHBondContact O-N 3.31Å; D878-C991 PolarHBondContact N-O 2.86Å; D878-C992 VanDerWaalsContact OD2-CA 3.27Å; D878-C992 WeakPolarHBondContact OD2-CA 3.38Å; D878-L993 VanDerWaalsContact OD2-CG 3.28Å; D878-L993 WeakPolarHBondContact OD2-CG 3.5Å; D878-L993 PolarHBondContact OD2-N 3.36Å
879	E	89.7	Confident	81.7	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.3	-179.5	172.3	-177.5	-172.9	0	0	110.7	I877 T881 K923 K927 Y928 C991	I877-E879 WeakPolarHBondContact CG2-O 3.49Å; E879-T881 WeakPolarHBondContact CG-OG1 3.36Å; E879-T881 PolarHBondContact OE1-OG1 3.24Å; E879-K923 IonicContact OE1-NZ 2.68Å; E879-K927 WeakPolarHBondContact CA-O 3.44Å; E879-Y928 HydrophobicContact CB-CD1 3.99Å; E879-Y928 HydrophobicContact CB-CE1 4.07Å; E879-Y928 HydrophobicContact CG-CD1 3.8Å; E879-Y928 HydrophobicContact CG-CE1 3.45Å; E879-Y928 VanDerWaalsContact CG-CE1 3.45Å; E879-Y928 WeakPolarHBondContact OE1-CE1 3.28Å; E879-Y928 PolarHBondContact OE1-OH 3.2Å; E879-Y928 VanDerWaalsContact OE2-CE1 3.3Å; E879-Y928 WeakPolarHBondContact OE2-CE1 3.27Å; E879-C991 HydrophobicContact CB-CB 4.09Å; E879-C991 PolarHBondContact N-O 3.38Å; E879-C991 PolarHBondContact O-N 3.42Å
880	I	92.6	Very high	79.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.5	166.3	-177.4	163.8	0	0	0	109.4	F867 Y871 I877 S926 K927 I988 D989 V990	F867-I880 HydrophobicContact CB-CG2 4.26Å; F867-I880 HydrophobicContact CD1-CD1 3.73Å; F867-I880 HydrophobicContact CD1-CG1 4.07Å; F867-I880 HydrophobicContact CD1-CG2 4.48Å; F867-I880 HydrophobicContact CD2-CG1 4.2Å; F867-I880 HydrophobicContact CD2-CG2 3.93Å; F867-I880 HydrophobicContact CE1-CD1 3.56Å; F867-I880 HydrophobicContact CE1-CG1 3.72Å; F867-I880 HydrophobicContact CE2-CG1 3.88Å; F867-I880 HydrophobicContact CE2-CG2 4.37Å; F867-I880 HydrophobicContact CG-CD1 4.32Å; F867-I880 HydrophobicContact CG-CG1 4.29Å; F867-I880 HydrophobicContact CG-CG2 3.99Å; F867-I880 HydrophobicContact CZ-CD1 4.03Å; F867-I880 HydrophobicContact CZ-CG1 3.62Å; Y871-I880 HydrophobicContact CD2-CG2 4.11Å; I877-I880 HydrophobicContact CG2-CB 4.22Å; I880-S926 CarbonylContact O-C 3.6Å; I880-S926 VanDerWaalsContact O-CA 3.29Å; I880-S926 WeakPolarHBondContact O-CA 3.44Å; I880-K927 HydrophobicContact CG2-CB 3.83Å; I880-K927 PolarHBondContact N-O 3.19Å; I880-K927 VanDerWaalsContact N-O 3.1Å; I880-K927 PolarHBondContact O-N 3.38Å; I880-I988 HydrophobicContact CD1-CG2 4.28Å; I880-I988 HydrophobicContact CG1-CG2 4.24Å; I880-D989 WeakPolarHBondContact CA-O 3.3Å; I880-V990 HydrophobicContact CD1-CG2 3.74Å; I880-V990 HydrophobicContact CG1-CG2 3.93Å
881	T	92.6	Very high	76.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135	-172.4	-66.2	0	0	0	0	111.3	E879 Y883 K923 V925 S926 I988 D989	E879-T881 WeakPolarHBondContact CG-OG1 3.36Å; E879-T881 PolarHBondContact OE1-OG1 3.24Å; T881-Y883 HydrophobicContact CG2-CD1 4.31Å; T881-Y883 HydrophobicContact CG2-CD2 4Å; T881-Y883 HydrophobicContact CG2-CE1 3.83Å; T881-Y883 HydrophobicContact CG2-CE2 3.51Å; T881-Y883 HydrophobicContact CG2-CG 4.38Å; T881-Y883 VanDerWaalsContact CG2-CZ 3.42Å; T881-K923 HydrophobicContact CG2-CD 4.24Å; T881-K923 HydrophobicContact CG2-CG 3.66Å; T881-V925 CarbonylContact C-O 3.43Å; T881-V925 WeakPolarHBondContact CA-O 3.47Å; T881-S926 VanDerWaalsContact OG1-CB 3.25Å; T881-S926 WeakPolarHBondContact OG1-CB 3.47Å; T881-I988 CarbonylContact O-C 3.52Å; T881-I988 WeakPolarHBondContact O-CA 3.05Å; T881-D989 PolarHBondContact N-O 2.9Å; T881-D989 PolarHBondContact O-N 3.04Å
882	F	94.4	Very high	74	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.5	169.6	-179.9	-111.6	0	0	0	110.3	L859 I863 F867 H884 L924 V925 F977 I987 I988	L859-F882 HydrophobicContact CD2-CE1 4.02Å; L859-F882 HydrophobicContact CD2-CZ 4.19Å; I863-F882 HydrophobicContact CD1-CB 4.14Å; I863-F882 HydrophobicContact CD1-CD1 3.28Å; I863-F882 HydrophobicContact CD1-CD2 3.9Å; I863-F882 HydrophobicContact CD1-CE1 3.49Å; I863-F882 VanDerWaalsContact CD1-CE1 3.49Å; I863-F882 HydrophobicContact CD1-CE2 4.05Å; I863-F882 HydrophobicContact CD1-CG 3.5Å; I863-F882 VanDerWaalsContact CD1-CG 3.5Å; I863-F882 HydrophobicContact CD1-CZ 3.86Å; I863-F882 HydrophobicContact CG2-CB 4Å; I863-F882 HydrophobicContact CG2-CG 4.49Å; F867-F882 HydrophobicContact CE2-CB 4.12Å; F867-F882 HydrophobicContact CZ-CB 3.92Å; F882-H884 HydrophobicContact CE1-CB 4.15Å; F882-L924 HydrophobicContact CD1-CB 3.98Å; F882-L924 HydrophobicContact CD1-CD2 3.82Å; F882-L924 HydrophobicContact CD1-CG 4.45Å; F882-L924 HydrophobicContact CE1-CD2 3.74Å; F882-L924 PolarHBondContact O-N 3.42Å; F882-V925 HydrophobicContact CB-CB 4.46Å; F882-V925 PolarHBondContact N-O 3.22Å; F882-V925 PolarHBondContact O-N 3.03Å; F882-F977 HydrophobicContact CE2-CB 3.89Å; F882-F977 AromaticContact CE2-CD1 3.77Å; F882-F977 HydrophobicContact CE2-CD1 3.77Å; F882-F977 AromaticContact CE2-CG 3.89Å; F882-F977 HydrophobicContact CE2-CG 3.89Å; F882-F977 AromaticContact CZ-CD1 3.9Å; F882-F977 HydrophobicContact CZ-CD1 3.9Å; F882-F977 HydrophobicContact CZ-CG 4.48Å; F882-I987 CarbonylContact C-O 3.48Å; F882-I987 WeakPolarHBondContact CA-O 3.46Å; F882-I987 WeakPolarHBondContact CD2-O 3.48Å; F882-I988 HydrophobicContact CD2-CD1 4.44Å; F882-I988 HydrophobicContact CD2-CG1 3.59Å; F882-I988 HydrophobicContact CE2-CG1 4.29Å
883	Y	92.6	Very high	71.5	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.7	172.4	-61.8	-79.9	0	0	0	109.3	T881 C922 K923 I942 L953 G986 I987 D989	T881-Y883 HydrophobicContact CG2-CD1 4.31Å; T881-Y883 HydrophobicContact CG2-CD2 4Å; T881-Y883 HydrophobicContact CG2-CE1 3.83Å; T881-Y883 HydrophobicContact CG2-CE2 3.51Å; T881-Y883 HydrophobicContact CG2-CG 4.38Å; T881-Y883 VanDerWaalsContact CG2-CZ 3.42Å; Y883-C922 CarbonylContact C-O 3.54Å; Y883-C922 WeakPolarHBondContact CA-O 3.41Å; Y883-K923 HydrophobicContact CD1-CB 4.01Å; Y883-K923 HydrophobicContact CD1-CG 4.32Å; Y883-K923 HydrophobicContact CE1-CB 3.91Å; Y883-K923 HydrophobicContact CE1-CD 4.37Å; Y883-K923 HydrophobicContact CE1-CG 3.94Å; Y883-I942 HydrophobicContact CD1-CD1 3.98Å; Y883-I942 HydrophobicContact CE1-CD1 3.47Å; Y883-I942 VanDerWaalsContact CE1-CD1 3.47Å; Y883-L953 HydrophobicContact CD2-CD1 4Å; Y883-L953 HydrophobicContact CD2-CD2 4.2Å; Y883-L953 HydrophobicContact CE1-CD1 4.43Å; Y883-L953 HydrophobicContact CE2-CD1 3.76Å; Y883-L953 HydrophobicContact CE2-CD2 4.1Å; Y883-L953 HydrophobicContact CG-CD1 4.42Å; Y883-G986 CarbonylContact O-C 3.56Å; Y883-G986 WeakPolarHBondContact O-CA 3.1Å; Y883-I987 PolarHBondContact N-O 3.38Å; Y883-I987 PolarHBondContact O-N 3.27Å; Y883-D989 HydrophobicContact CD2-CB 4.39Å; Y883-D989 HydrophobicContact CE2-CB 3.93Å
884	H	90.2	Very high	68.8	Low	2 Å²	2	54.5 Å²	54.5	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	146.7	173.2	-171.3	-93.1	0	0	0	110.2	F670 F882 C886 L921 C922 L924 T1026 D1027	F670-H884 AromaticContact CE1-ND1 3.61Å; F882-H884 HydrophobicContact CE1-CB 4.15Å; H884-C886 PolarHBondContact O-N 3.47Å; H884-L921 WeakPolarHBondContact O-CA 3.49Å; H884-C922 PolarHBondContact N-O 2.95Å; H884-C922 PolarHBondContact O-N 3.09Å; H884-C922 PolarHBondContact O-SG 2.92Å; H884-L924 HydrophobicContact CB-CB 4.24Å; H884-L924 HydrophobicContact CB-CD2 4.25Å; H884-T1026 WeakPolarHBondContact NE2-CB 3.21Å; H884-T1026 PolarHBondContact NE2-OG1 3.31Å; H884-D1027 IonicContact CE1-OD1 2.66Å; H884-D1027 IonicContact NE2-OD1 3.9Å
885	R	87.7	Confident	66	Low	39 Å²	39	56.7 Å²	56.7	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119	176.2	179.5	-177	170.2	152.9	-0.2	110	N887 Y919 L957 V984 I985	R885-N887 PolarHBondContact NE-OD1 3.39Å; R885-Y919 VanDerWaalsContact NH2-CE1 3.32Å; R885-L957 HydrophobicContact CB-CD1 4.37Å; R885-L957 HydrophobicContact CG-CD1 4.36Å; R885-V984 WeakPolarHBondContact CD-O 3.43Å; R885-V984 PolarHBondContact NH1-O 2.96Å; R885-I985 WeakPolarHBondContact CB-O 3.44Å; R885-I985 PolarHBondContact N-O 3.43Å
886	C	78.2	Confident	63.7	Low	17 Å²	17	59.1 Å²	59.1	12%	0.115	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.4	173.3	-82	0	0	0	0	108.4	F670 H884 K920 C922	F670-C886 WeakPolarHBondContact CZ-SG 3.46Å; H884-C886 PolarHBondContact O-N 3.47Å; C886-K920 HydrophobicContact CB-CB 4.17Å; C886-K920 PolarHBondContact N-O 3Å; C886-C922 HydrophobicContact CB-CB 4.32Å; C886-C922 WeakPolarHBondContact CB-SG 3.48Å; C886-C922 WeakPolarHBondContact SG-CB 3.17Å; C886-C922 CovalentContact SG-SG 2.08Å; C886-C922 PolarHBondContact SG-SG 2.84Å
887	N	64.9	Low	61.1	Low	82 Å²	82	61.3 Å²	61.3	44%	0.439	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-79.9	140.1	177.5	-68.5	-33.5	0	0	0	110.6	R885	R885-N887 PolarHBondContact NE-OD1 3.39Å
888	D	52.4	Low	58.2	Low	56 Å²	56	66.3 Å²	66.3	30%	0.299	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-90.3	120.5	155.6	-88.6	-24.4	0	0	0	108.5	D890 K920	D888-D890 PolarHBondContact O-N 2.71Å; D888-K920 WeakPolarHBondContact OD1-CD 3.34Å; D888-K920 WeakPolarHBondContact OD1-CE 3.36Å; D888-K920 IonicContact OD1-NZ 3.55Å; D888-K920 PolarHBondContact OD1-NZ 3.37Å; D888-K920 VanDerWaalsContact OD2-CD 3.31Å; D888-K920 WeakPolarHBondContact OD2-CD 3.31Å; D888-K920 WeakPolarHBondContact OD2-CE 3.48Å; D888-K920 IonicContact OD2-NZ 3.93Å; D888-K920 PolarHBondContact OD2-NZ 3.33Å
889	D	42.7	Very low	55.2	Low	113 Å²	113	72.5 Å²	72.5	60%	0.604	41%	0.414	S	S	*	.			trans	-69.7	109.7	152.6	-71	-38.2	0	0	0	106.4	N891	D889-N891 PolarHBondContact O-N 3.16Å
890	D	37.4	Very low	52	Low	99 Å²	99	76.2 Å²	76.2	53%	0.529	44%	0.442	S	S	.	.			trans	-64.9	45.8	167	-85.1	-37.7	0	0	0	111.6	D888 D892	D888-D890 PolarHBondContact O-N 2.71Å; D890-D892 VanDerWaalsContact C-N 3.27Å
891	N	33.4	Very low	48.7	Very low	135 Å²	135	82.4 Å²	82.4	72%	0.722	48%	0.48	S	S	*	.			trans	-86.5	4.3	167.8	-73.8	-27.7	0	0	0	112.3	D889 D893	D889-N891 PolarHBondContact O-N 3.16Å; N891-D893 VanDerWaalsContact C-N 3.32Å
892	D	30.6	Very low	45.6	Very low	163 Å²	163	88.8 Å²	88.8	87%	0.872	52%	0.519	S	S	*	.			trans	-82.9	-3.1	179.7	-120.6	9.4	0	0	0	114.2	D890 G894	D890-D892 VanDerWaalsContact C-N 3.27Å; D892-G894 VanDerWaalsContact C-N 3.26Å; D892-G894 PolarHBondContact O-N 3.04Å; D892-G894 VanDerWaalsContact O-N 3.13Å
893	D	30.7	Very low	42.5	Very low	120 Å²	120	95.7 Å²	95.7	64%	0.642	56%	0.555	S	S	*	*	S	Bend	trans	-78.3	92.7	150.3	-94.6	-25.4	0	0	0	106.2	N891 G895 K915	N891-D893 VanDerWaalsContact C-N 3.32Å; D893-G895 PolarHBondContact O-N 3.45Å; D893-K915 IonicContact OD2-NZ 2.89Å; D893-K915 PolarHBondContact OD2-NZ 3.36Å
894	G	23.3	Very low	39.4	Very low	74 Å²	74	102.9 Å²	102.9	76%	0.763	59%	0.593	S	S	*	*			trans	-51.8	82.1	156.3	0	0	0	0	0	108.9	D892 D896	D892-G894 VanDerWaalsContact C-N 3.26Å; D892-G894 PolarHBondContact O-N 3.04Å; D892-G894 VanDerWaalsContact O-N 3.13Å; G894-D896 PolarHBondContact O-N 3.41Å
895	G	23	Very low	36.7	Very low	57 Å²	57	107.1 Å²	107.1	59%	0.588	62%	0.623	S	S	*	*			trans	-58.4	91.5	161.3	0	0	0	0	0	105.4	D893 V897	D893-G895 PolarHBondContact O-N 3.45Å; G895-V897 VanDerWaalsContact C-N 3.34Å; G895-V897 WeakPolarHBondContact O-CG2 3.49Å; G895-V897 PolarHBondContact O-N 2.91Å
896	D	26	Very low	33.9	Very low	125 Å²	125	112.5 Å²	112.5	67%	0.668	66%	0.66	S	S	*	*			trans	-36.2	105.1	158.3	-170.7	19.7	0	0	0	106.9	G894 N898	G894-D896 PolarHBondContact O-N 3.41Å; D896-N898 PolarHBondContact O-N 3.34Å; D896-N898 PolarHBondContact OD1-ND2 3.35Å; D896-N898 VanDerWaalsContact OD1-ND2 3.08Å; D896-N898 PolarHBondContact OD2-ND2 3.27Å
897	V	27.3	Very low	31.7	Very low	123 Å²	123	119.3 Å²	119.3	75%	0.745	69%	0.691	S	S	*	*			trans	-72.5	64.8	178	-176.2	0	0	0	0	106.5	G895	G895-V897 VanDerWaalsContact C-N 3.34Å; G895-V897 WeakPolarHBondContact O-CG2 3.49Å; G895-V897 PolarHBondContact O-N 2.91Å
898	N	25.5	Very low	29.9	Very low	110 Å²	110	124.1 Å²	124.1	59%	0.588	71%	0.711	S	S	*	*			trans	-106.1	87.4	170.4	-84.9	-29.2	0	0	0	106.7	D896 S900	D896-N898 PolarHBondContact O-N 3.34Å; D896-N898 PolarHBondContact OD1-ND2 3.35Å; D896-N898 VanDerWaalsContact OD1-ND2 3.08Å; D896-N898 PolarHBondContact OD2-ND2 3.27Å; N898-S900 VanDerWaalsContact C-N 3.26Å; N898-S900 PolarHBondContact O-N 3.49Å
899	H	23.8	Very low	28.8	Very low	182 Å²	182	131.1 Å²	131.1	84%	0.843	74%	0.738	S	S	*	*			trans	-49.5	92.3	160.3	-79.9	-56.5	0	0	0	109.8
900	S	23.7	Very low	28	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	74%	0.744	S	S	*	*			trans	-110	91.3	163.8	-53.7	0	0	0	0	106.6	N898 T902	N898-S900 VanDerWaalsContact C-N 3.26Å; N898-S900 PolarHBondContact O-N 3.49Å; S900-T902 PolarHBondContact O-N 3.33Å; S900-T902 VanDerWaalsContact O-N 3.14Å
901	T	22	Very low	27.8	Very low	131 Å²	131	134 Å²	134	80%	0.804	75%	0.75	S	S	*	*			trans	-52.6	108	163.1	36.1	0	0	0	0	109.9
902	T	28.1	Very low	27.6	Very low	136 Å²	136	138.3 Å²	138.3	83%	0.834	76%	0.756	S	S	*	*			trans	-133	102.1	155.4	-13	0	0	0	0	107.6	S900	S900-T902 PolarHBondContact O-N 3.33Å; S900-T902 VanDerWaalsContact O-N 3.14Å
903	I	28.4	Very low	27.8	Very low	145 Å²	145	136.3 Å²	136.3	74%	0.744	75%	0.752	S	S	*	*			trans	-70.1	153.3	168	-66.6	159.7	0	0	0	107.6
904	D	27.5	Very low	28.5	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	75%	0.754	S	S	*	*			trans	90.2	88	173.2	-65.8	-22.8	0	0	0	118.4
905	S	33.8	Very low	29.7	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	75%	0.749	S	S	*	*				-165	128.6	119.3	51.3	0	0	0	0	111	E907	S905-E907 PolarHBondContact O-N 3.02Å; S905-E907 VanDerWaalsContact O-N 3.1Å
906	T	29.3	Very low	31.4	Very low	151 Å²	151	143.1 Å²	143.1	93%	0.926	75%	0.747	S	S	*	*			trans	-64.3	97	166.2	41.8	0	0	0	0	109.4
907	E	31.3	Very low	33.2	Very low	160 Å²	160	140.6 Å²	140.6	75%	0.748	74%	0.736	S	S	*	*			trans	-119.5	130.1	169.9	-72.2	-174.8	-174.9	0	0	109.9	S905 K909	S905-E907 PolarHBondContact O-N 3.02Å; S905-E907 VanDerWaalsContact O-N 3.1Å; E907-K909 PolarHBondContact O-N 3.32Å
908	E	28.8	Very low	35.3	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	71%	0.705	S	S	*	*			trans	-41.5	136.4	170.9	-70.2	170.2	138.7	0	0	110.2	S910	E908-S910 PolarHBondContact O-N 3.2Å
909	K	27.5	Very low	37.8	Very low	203 Å²	203	132.5 Å²	132.5	88%	0.883	69%	0.685	S	S	*	*			trans	-59.3	79.7	173.6	-69.4	179.7	178.1	-179.4	0	109.4	E907 Y911	E907-K909 PolarHBondContact O-N 3.32Å; K909-Y911 PolarHBondContact O-N 3.09Å
910	S	27.6	Very low	40.7	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	66%	0.656	S	S	*	*			trans	-72.5	115.7	168.8	58.4	0	0	0	0	106.7	E908 R912	E908-S910 PolarHBondContact O-N 3.2Å; S910-R912 PolarHBondContact O-N 2.62Å
911	Y	32.5	Very low	43.8	Very low	171 Å²	171	121.8 Å²	121.8	67%	0.671	62%	0.624	S	S	*	*			trans	-55.2	115.6	173.3	-75.7	-91.1	0	0	0	108	K909	K909-Y911 PolarHBondContact O-N 3.09Å
912	R	29.8	Very low	46.9	Very low	224 Å²	224	115.5 Å²	115.5	85%	0.845	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-57.1	135	174.4	-81.7	-175.4	176	-178.7	-0.9	108.1	S910 N914	S910-R912 PolarHBondContact O-N 2.62Å; R912-N914 PolarHBondContact O-N 2.94Å; R912-N914 VanDerWaalsContact O-N 3.1Å
913	P	34.3	Very low	49.7	Very low	122 Å²	122	109.4 Å²	109.4	79%	0.792	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-57.3	121	173	22.1	-29.9	0	0	0	108.5	K915	P913-K915 PolarHBondContact O-N 3.23Å; P913-K915 VanDerWaalsContact O-N 3.1Å
914	N	44.1	Very low	52.5	Low	128 Å²	128	102.7 Å²	102.7	68%	0.684	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-49.2	116.9	-177	-88.5	-18.8	0	0	0	110.2	N305 R912 E916	N305-N914 PolarHBondContact ND2-ND2 3.45Å; R912-N914 PolarHBondContact O-N 2.94Å; R912-N914 VanDerWaalsContact O-N 3.1Å; N914-E916 PolarHBondContact O-N 2.83Å
915	K	50.4	Low	55.5	Low	149 Å²	149	95.3 Å²	95.3	65%	0.648	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-55.9	127.4	165	-97.4	-176.5	171.9	-174.1	0	106.6	D893 P913 V917	D893-K915 IonicContact OD2-NZ 2.89Å; D893-K915 PolarHBondContact OD2-NZ 3.36Å; P913-K915 PolarHBondContact O-N 3.23Å; P913-K915 VanDerWaalsContact O-N 3.1Å; K915-V917 PolarHBondContact O-N 3.36Å; K915-V917 VanDerWaalsContact O-N 3.09Å
916	E	58.2	Low	58.2	Low	117 Å²	117	91 Å²	91	55%	0.547	44%	0.443	S	S	.	.			trans	-65	111.7	176.7	-171.3	174	-176.8	0	0	109.1	N914 N918 K944	N914-E916 PolarHBondContact O-N 2.83Å; E916-N918 PolarHBondContact O-N 3.2Å; E916-K944 IonicContact OE1-NZ 3.37Å; E916-K944 PolarHBondContact OE1-NZ 2.69Å
917	V	63.8	Low	61	Low	72 Å²	72	84.6 Å²	84.6	44%	0.436	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.2	123.9	179.1	-178.8	0	0	0	0	108.5	K915 Y919	K915-V917 PolarHBondContact O-N 3.36Å; K915-V917 VanDerWaalsContact O-N 3.09Å; V917-Y919 HydrophobicContact CB-CE1 4.42Å; V917-Y919 HydrophobicContact CB-CE2 4.26Å; V917-Y919 HydrophobicContact CG1-CD1 4.14Å; V917-Y919 HydrophobicContact CG1-CE1 3.61Å; V917-Y919 HydrophobicContact CG1-CE2 4.25Å
918	N	71.2	Confident	63.5	Low	16 Å²	16	80 Å²	80	9%	0.086	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-87	116.7	174.9	-165.1	38.3	0	0	0	109.5	E916 D943 K945	E916-N918 PolarHBondContact O-N 3.2Å; N918-D943 PolarHBondContact ND2-OD1 3.3Å; N918-D943 PolarHBondContact OD1-OD1 3.08Å; N918-K945 HydrophobicContact CB-CD 4.19Å; N918-K945 VanDerWaalsContact OD1-CG 3.29Å; N918-K945 WeakPolarHBondContact OD1-CG 3.45Å; N918-K945 PolarHBondContact OD1-N 3.32Å
919	Y	77	Confident	65.6	Low	47 Å²	47	72.6 Å²	72.6	18%	0.184	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-93.1	145.3	176.4	-62.7	-68.2	0	0	0	111.2	R885 V917 K944 F954 L957 E958	R885-Y919 VanDerWaalsContact NH2-CE1 3.32Å; V917-Y919 HydrophobicContact CB-CE1 4.42Å; V917-Y919 HydrophobicContact CB-CE2 4.26Å; V917-Y919 HydrophobicContact CG1-CD1 4.14Å; V917-Y919 HydrophobicContact CG1-CE1 3.61Å; V917-Y919 HydrophobicContact CG1-CE2 4.25Å; Y919-K944 PolarHBondContact O-N 2.95Å; Y919-F954 WeakPolarHBondContact O-CE1 3.3Å; Y919-L957 HydrophobicContact CD1-CD2 4.16Å; Y919-L957 HydrophobicContact CD2-CD2 4.34Å; Y919-L957 HydrophobicContact CG-CD2 3.77Å; Y919-E958 HydrophobicContact CD2-CG 3.9Å; Y919-E958 VanDerWaalsContact CD2-OE1 3.32Å; Y919-E958 WeakPolarHBondContact CD2-OE1 3.09Å; Y919-E958 HydrophobicContact CE2-CG 3.63Å; Y919-E958 WeakPolarHBondContact CE2-OE1 3.24Å
920	K	85.3	Confident	67.5	Low	53 Å²	53	71.5 Å²	71.5	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.1	171.9	-75.5	173.8	177.4	164.2	0	110	C886 D888 V941 I942 D943	C886-K920 HydrophobicContact CB-CB 4.17Å; C886-K920 PolarHBondContact N-O 3Å; D888-K920 WeakPolarHBondContact OD1-CD 3.34Å; D888-K920 WeakPolarHBondContact OD1-CE 3.36Å; D888-K920 IonicContact OD1-NZ 3.55Å; D888-K920 PolarHBondContact OD1-NZ 3.37Å; D888-K920 VanDerWaalsContact OD2-CD 3.31Å; D888-K920 WeakPolarHBondContact OD2-CD 3.31Å; D888-K920 WeakPolarHBondContact OD2-CE 3.48Å; D888-K920 IonicContact OD2-NZ 3.93Å; D888-K920 PolarHBondContact OD2-NZ 3.33Å; K920-V941 HydrophobicContact CB-CG1 3.75Å; K920-V941 HydrophobicContact CD-CG1 3.86Å; K920-V941 HydrophobicContact CG-CG1 3.83Å; K920-I942 WeakPolarHBondContact CA-O 3.45Å; K920-D943 HydrophobicContact CG-CB 4.44Å
921	L	89	Confident	69.5	Low	0 Å²	0	73 Å²	73	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.3	175.5	-74.1	171	0	0	0	109	H884 V941 I942 L953 F954 L957 I987	H884-L921 WeakPolarHBondContact O-CA 3.49Å; L921-V941 CarbonylContact O-C 3.58Å; L921-V941 WeakPolarHBondContact O-CA 3.26Å; L921-I942 HydrophobicContact CB-CB 4.36Å; L921-I942 PolarHBondContact N-O 2.91Å; L921-I942 PolarHBondContact O-N 3.48Å; L921-L953 HydrophobicContact CD1-CB 3.75Å; L921-L953 HydrophobicContact CD1-CD1 4.41Å; L921-F954 HydrophobicContact CB-CE1 4.45Å; L921-F954 HydrophobicContact CD1-CD1 4.06Å; L921-F954 HydrophobicContact CD1-CE1 3.77Å; L921-F954 HydrophobicContact CD1-CZ 4.05Å; L921-F954 HydrophobicContact CG-CD1 4.45Å; L921-F954 HydrophobicContact CG-CE1 3.87Å; L921-F954 HydrophobicContact CG-CZ 4.34Å; L921-L957 HydrophobicContact CD2-CD1 4.18Å; L921-L957 HydrophobicContact CD2-CD2 4.1Å; L921-L957 HydrophobicContact CG-CD2 4.32Å; L921-I987 HydrophobicContact CD1-CD1 3.74Å; L921-I987 HydrophobicContact CD2-CD1 4.1Å
922	C	86.3	Confident	71.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.4	-178.7	34.7	0	0	0	0	109.1	Y883 H884 C886 L924 L939	Y883-C922 CarbonylContact C-O 3.54Å; Y883-C922 WeakPolarHBondContact CA-O 3.41Å; H884-C922 PolarHBondContact N-O 2.95Å; H884-C922 PolarHBondContact O-N 3.09Å; H884-C922 PolarHBondContact O-SG 2.92Å; C886-C922 HydrophobicContact CB-CB 4.32Å; C886-C922 WeakPolarHBondContact CB-SG 3.48Å; C886-C922 WeakPolarHBondContact SG-CB 3.17Å; C886-C922 CovalentContact SG-SG 2.08Å; C886-C922 PolarHBondContact SG-SG 2.84Å; C922-L924 PolarHBondContact O-N 2.72Å; C922-L939 HydrophobicContact CB-CB 4.03Å; C922-L939 HydrophobicContact CB-CD1 3.73Å; C922-L939 HydrophobicContact CB-CD2 4.24Å; C922-L939 HydrophobicContact CB-CG 4.24Å
923	K	87.9	Confident	74.3	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	112.7	179.7	-168.2	178.7	-165.2	157.8	0	109.3	E215 E879 T881 Y883 Y928 H936 L939 Q940	E215-K923 IonicContact OE1-NZ 2.7Å; E215-K923 PolarHBondContact OE1-NZ 2.87Å; E879-K923 IonicContact OE1-NZ 2.68Å; T881-K923 HydrophobicContact CG2-CD 4.24Å; T881-K923 HydrophobicContact CG2-CG 3.66Å; Y883-K923 HydrophobicContact CD1-CB 4.01Å; Y883-K923 HydrophobicContact CD1-CG 4.32Å; Y883-K923 HydrophobicContact CE1-CB 3.91Å; Y883-K923 HydrophobicContact CE1-CD 4.37Å; Y883-K923 HydrophobicContact CE1-CG 3.94Å; K923-Y928 WeakPolarHBondContact CE-OH 3.45Å; K923-Y928 PolarHBondContact NZ-OH 3.25Å; K923-H936 VanDerWaalsContact O-CB 3.25Å; K923-H936 WeakPolarHBondContact O-CB 3.3Å; K923-L939 WeakPolarHBondContact O-CD2 3.44Å; K923-Q940 PolarHBondContact N-O 3.06Å
924	L	87.4	Confident	76.6	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-47.2	-172.9	-174.2	69.6	0	0	0	112	S860 F882 H884 C922 H936 L939	S860-L924 WeakPolarHBondContact OG-CD2 3.36Å; F882-L924 HydrophobicContact CD1-CB 3.98Å; F882-L924 HydrophobicContact CD1-CD2 3.82Å; F882-L924 HydrophobicContact CD1-CG 4.45Å; F882-L924 HydrophobicContact CE1-CD2 3.74Å; F882-L924 PolarHBondContact O-N 3.42Å; H884-L924 HydrophobicContact CB-CB 4.24Å; H884-L924 HydrophobicContact CB-CD2 4.25Å; C922-L924 PolarHBondContact O-N 2.72Å; L924-H936 PolarHBondContact O-N 3.47Å; L924-L939 HydrophobicContact CD1-CD2 4.29Å
925	V	90.2	Very high	78.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.7	178.9	-173.7	0	0	0	0	109.3	I863 H864 F867 T881 F882 T933 T934 V935	I863-V925 HydrophobicContact CB-CG2 4.22Å; I863-V925 HydrophobicContact CG2-CB 3.81Å; I863-V925 HydrophobicContact CG2-CG1 3.97Å; I863-V925 HydrophobicContact CG2-CG2 4.04Å; H864-V925 HydrophobicContact CB-CG1 4.45Å; F867-V925 HydrophobicContact CD2-CG1 3.94Å; F867-V925 HydrophobicContact CE2-CB 4.4Å; F867-V925 HydrophobicContact CE2-CG1 4.25Å; T881-V925 CarbonylContact C-O 3.43Å; T881-V925 WeakPolarHBondContact CA-O 3.47Å; F882-V925 HydrophobicContact CB-CB 4.46Å; F882-V925 PolarHBondContact N-O 3.22Å; F882-V925 PolarHBondContact O-N 3.03Å; V925-T933 HydrophobicContact CG1-CG2 3.61Å; V925-T934 WeakPolarHBondContact CA-O 3.25Å; V925-V935 HydrophobicContact CG2-CG2 4.34Å
926	S	90	Very high	79.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154	173.1	62.2	0	0	0	0	112.1	I880 T881 Y928 T934 H936	I880-S926 CarbonylContact O-C 3.6Å; I880-S926 VanDerWaalsContact O-CA 3.29Å; I880-S926 WeakPolarHBondContact O-CA 3.44Å; T881-S926 VanDerWaalsContact OG1-CB 3.25Å; T881-S926 WeakPolarHBondContact OG1-CB 3.47Å; S926-Y928 WeakPolarHBondContact OG-CE2 3.43Å; S926-T934 PolarHBondContact N-O 3.45Å; S926-T934 PolarHBondContact O-N 3.06Å; S926-T934 PolarHBondContact O-OG1 2.89Å; S926-T934 VanDerWaalsContact O-OG1 3.13Å; S926-T934 PolarHBondContact OG-OG1 2.8Å; S926-H936 PolarHBondContact OG-NE2 2.83Å
927	K	88.2	Confident	80.1	Confident	17 Å²	17	48.3 Å²	48.3	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.9	174.1	-173.2	179.8	-177.8	64.4	0	110.7	D868 Y871 E879 I880 H931 T933	D868-K927 IonicContact OD1-NZ 2.87Å; D868-K927 PolarHBondContact OD1-NZ 3.12Å; Y871-K927 VanDerWaalsContact CB-CD 3.41Å; Y871-K927 HydrophobicContact CD1-CD 4.13Å; Y871-K927 VanDerWaalsContact CD1-CE 3.48Å; Y871-K927 HydrophobicContact CD2-CB 4.5Å; Y871-K927 HydrophobicContact CD2-CD 3.68Å; Y871-K927 HydrophobicContact CD2-CG 4.01Å; Y871-K927 HydrophobicContact CE2-CG 4.44Å; Y871-K927 HydrophobicContact CG-CD 3.46Å; Y871-K927 VanDerWaalsContact CG-CD 3.46Å; Y871-K927 HydrophobicContact CG-CG 4.19Å; E879-K927 WeakPolarHBondContact CA-O 3.44Å; I880-K927 HydrophobicContact CG2-CB 3.83Å; I880-K927 PolarHBondContact N-O 3.19Å; I880-K927 VanDerWaalsContact N-O 3.1Å; I880-K927 PolarHBondContact O-N 3.38Å; K927-H931 PolarHBondContact NZ-O 3.08Å; K927-T933 HydrophobicContact CB-CG2 4.28Å; K927-T933 WeakPolarHBondContact CD-OG1 3.28Å; K927-T933 WeakPolarHBondContact CG-OG1 3.35Å; K927-T933 PolarHBondContact NZ-OG1 3.37Å
928	Y	83.2	Confident	80.2	Confident	64 Å²	64	51.8 Å²	51.8	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114.4	-174.6	-62.3	-84.3	0	0	0	112.3	E879 K923 S926 I930 H931	E879-Y928 HydrophobicContact CB-CD1 3.99Å; E879-Y928 HydrophobicContact CB-CE1 4.07Å; E879-Y928 HydrophobicContact CG-CD1 3.8Å; E879-Y928 HydrophobicContact CG-CE1 3.45Å; E879-Y928 VanDerWaalsContact CG-CE1 3.45Å; E879-Y928 WeakPolarHBondContact OE1-CE1 3.28Å; E879-Y928 PolarHBondContact OE1-OH 3.2Å; E879-Y928 VanDerWaalsContact OE2-CE1 3.3Å; E879-Y928 WeakPolarHBondContact OE2-CE1 3.27Å; K923-Y928 WeakPolarHBondContact CE-OH 3.45Å; K923-Y928 PolarHBondContact NZ-OH 3.25Å; S926-Y928 WeakPolarHBondContact OG-CE2 3.43Å; Y928-I930 PolarHBondContact O-N 3.23Å; Y928-H931 VanDerWaalsContact O-CB 3.27Å; Y928-H931 WeakPolarHBondContact O-CB 3.43Å; Y928-H931 PolarHBondContact O-N 3.39Å; Y928-H931 PolarHBondContact O-ND1 3.38Å
929	G	72.8	Confident	80	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	-135.6	173	0	0	0	0	0	112.9	Y871 D878 H931	Y871-G929 WeakPolarHBondContact CE1-O 3.45Å; Y871-G929 WeakPolarHBondContact OH-CA 3.44Å; Y871-G929 PolarHBondContact OH-N 3.19Å; D878-G929 PolarHBondContact O-N 3.31Å; G929-H931 PolarHBondContact O-N 2.86Å
930	I	67.7	Low	79.6	Confident	180 Å²	180	55.8 Å²	55.8	92%	0.923	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.7	179.6	-55.9	160.5	0	0	0	111.8	Y928	Y928-I930 PolarHBondContact O-N 3.23Å
931	H	70.7	Confident	79.1	Confident	134 Å²	134	56.9 Å²	56.9	62%	0.62	30%	0.299	S	S	*	.	S	Bend	trans	-71.2	153	-178.4	-55	90.5	0	0	0	111.8	K927 Y928 G929	K927-H931 PolarHBondContact NZ-O 3.08Å; Y928-H931 VanDerWaalsContact O-CB 3.27Å; Y928-H931 WeakPolarHBondContact O-CB 3.43Å; Y928-H931 PolarHBondContact O-N 3.39Å; Y928-H931 PolarHBondContact O-ND1 3.38Å; G929-H931 PolarHBondContact O-N 2.86Å
932	Q	79.3	Confident	78.7	Confident	152 Å²	152	57.7 Å²	57.7	71%	0.71	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-62	146.1	171.8	-170.2	170.7	13.2	0	0	110	T934	Q932-T934 PolarHBondContact O-N 3.26Å
933	T	83.5	Confident	78.4	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.049	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.1	129.3	175.2	-61.1	0	0	0	0	110	H864 F867 D868 V925 K927	H864-T933 HydrophobicContact CB-CG2 4.28Å; F867-T933 HydrophobicContact CB-CG2 4.39Å; D868-T933 PolarHBondContact OD1-OG1 3.1Å; V925-T933 HydrophobicContact CG1-CG2 3.61Å; K927-T933 HydrophobicContact CB-CG2 4.28Å; K927-T933 WeakPolarHBondContact CD-OG1 3.28Å; K927-T933 WeakPolarHBondContact CG-OG1 3.35Å; K927-T933 PolarHBondContact NZ-OG1 3.37Å
934	T	82	Confident	78	Confident	58 Å²	58	60.1 Å²	60.1	36%	0.356	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.2	-176.2	56	0	0	0	0	109.9	V925 S926 Q932	V925-T934 WeakPolarHBondContact CA-O 3.25Å; S926-T934 PolarHBondContact N-O 3.45Å; S926-T934 PolarHBondContact O-N 3.06Å; S926-T934 PolarHBondContact O-OG1 2.89Å; S926-T934 VanDerWaalsContact O-OG1 3.13Å; S926-T934 PolarHBondContact OG-OG1 2.8Å; Q932-T934 PolarHBondContact O-N 3.26Å
935	V	80.5	Confident	77.4	Confident	51 Å²	51	65.8 Å²	65.8	31%	0.309	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.5	165.2	-177.6	0	0	0	0	107.2	H864 V925	H864-V935 HydrophobicContact CB-CG2 4.28Å; V925-V935 HydrophobicContact CG2-CG2 4.34Å
936	H	79.9	Confident	76.5	Confident	43 Å²	43	70.4 Å²	70.4	20%	0.199	36%	0.359	C	S	.	.			trans	-82.8	121.9	-176.1	-64.4	-85.5	0	0	0	110	K923 L924 S926 L939	K923-H936 VanDerWaalsContact O-CB 3.25Å; K923-H936 WeakPolarHBondContact O-CB 3.3Å; L924-H936 PolarHBondContact O-N 3.47Å; S926-H936 PolarHBondContact OG-NE2 2.83Å; H936-L939 HydrophobicContact CB-CD2 4.48Å
937	T	67.2	Low	75.8	Confident	80 Å²	80	71.3 Å²	71.3	49%	0.491	36%	0.364	S	S	.	.	S	Bend	trans	-91.7	-39.2	172.5	54.3	0	0	0	0	111.6	L939	T937-L939 PolarHBondContact O-N 2.9Å
938	D	65.9	Low	75.2	Confident	144 Å²	144	73.9 Å²	73.9	77%	0.77	37%	0.373	S	S	*	.	S	Bend	trans	-87.3	86	172.8	-75.6	-13.8	0	0	0	108.9	Q940	D938-Q940 PolarHBondContact O-N 3.13Å
939	L	65.3	Low	75.1	Confident	38 Å²	38	71 Å²	71	20%	0.199	36%	0.362	C	S	.	.			trans	-62.8	112.8	-174.6	-63.9	178.3	0	0	0	111.4	F670 C922 K923 L924 H936 T937 V941	F670-L939 HydrophobicContact CB-CD1 3.23Å; F670-L939 HydrophobicContact CB-CG 3.99Å; F670-L939 HydrophobicContact CD1-CD1 3.68Å; F670-L939 HydrophobicContact CD2-CD1 3.45Å; F670-L939 VanDerWaalsContact CD2-CD1 3.45Å; F670-L939 HydrophobicContact CE1-CD1 4.32Å; F670-L939 HydrophobicContact CE2-CD1 4.13Å; F670-L939 HydrophobicContact CG-CD1 3.19Å; F670-L939 HydrophobicContact CG-CG 4.4Å; C922-L939 HydrophobicContact CB-CB 4.03Å; C922-L939 HydrophobicContact CB-CD1 3.73Å; C922-L939 HydrophobicContact CB-CD2 4.24Å; C922-L939 HydrophobicContact CB-CG 4.24Å; K923-L939 WeakPolarHBondContact O-CD2 3.44Å; L924-L939 HydrophobicContact CD1-CD2 4.29Å; H936-L939 HydrophobicContact CB-CD2 4.48Å; T937-L939 PolarHBondContact O-N 2.9Å; L939-V941 PolarHBondContact O-N 3.2Å
940	Q	68.8	Low	75.7	Confident	109 Å²	109	71 Å²	71	51%	0.509	35%	0.353	S	S	.	.			trans	-68.9	115.5	162.2	-67.5	-179.8	-1.1	0	0	108.1	K923 D938	K923-Q940 PolarHBondContact N-O 3.06Å; D938-Q940 PolarHBondContact O-N 3.13Å
941	V	75.3	Confident	76.6	Confident	77 Å²	77	63.3 Å²	63.3	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.6	-179.3	-177.6	0	0	0	0	109.3	K920 L921 L939	K920-V941 HydrophobicContact CB-CG1 3.75Å; K920-V941 HydrophobicContact CD-CG1 3.86Å; K920-V941 HydrophobicContact CG-CG1 3.83Å; L921-V941 CarbonylContact O-C 3.58Å; L921-V941 WeakPolarHBondContact O-CA 3.26Å; L939-V941 PolarHBondContact O-N 3.2Å
942	I	81	Confident	77.3	Confident	16 Å²	16	57 Å²	57	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.2	171.3	-52.1	178.6	0	0	0	107.2	Y883 K920 L921 N947 Y950 L953 F954	Y883-I942 HydrophobicContact CD1-CD1 3.98Å; Y883-I942 HydrophobicContact CE1-CD1 3.47Å; Y883-I942 VanDerWaalsContact CE1-CD1 3.47Å; K920-I942 WeakPolarHBondContact CA-O 3.45Å; L921-I942 HydrophobicContact CB-CB 4.36Å; L921-I942 PolarHBondContact N-O 2.91Å; L921-I942 PolarHBondContact O-N 3.48Å; I942-N947 HydrophobicContact CG2-CB 3.96Å; I942-Y950 HydrophobicContact CD1-CD1 4.36Å; I942-Y950 HydrophobicContact CD1-CD2 4.48Å; I942-Y950 HydrophobicContact CD1-CG 4.28Å; I942-Y950 HydrophobicContact CG2-CD2 4.35Å; I942-Y950 HydrophobicContact CG2-CG 4.28Å; I942-L953 HydrophobicContact CD1-CD1 4.12Å; I942-F954 HydrophobicContact CB-CZ 4.34Å; I942-F954 HydrophobicContact CG2-CE2 3.79Å; I942-F954 HydrophobicContact CG2-CZ 3.79Å; I942-F954 WeakPolarHBondContact O-CZ 3.43Å
943	D	80.7	Confident	77.9	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.4	179	-179	-21.3	0	0	0	109.4	N918 K920 K945 K946 N947	N918-D943 PolarHBondContact ND2-OD1 3.3Å; N918-D943 PolarHBondContact OD1-OD1 3.08Å; K920-D943 HydrophobicContact CG-CB 4.44Å; D943-K945 VanDerWaalsContact C-N 3.28Å; D943-K945 PolarHBondContact O-N 3.21Å; D943-K945 PolarHBondContact OD1-N 2.87Å; D943-K946 HydrophobicContact CB-CB 4.11Å; D943-K946 HydrophobicContact CB-CD 4.11Å; D943-K946 HydrophobicContact CB-CG 4.07Å; D943-K946 PolarHBondContact O-N 3.4Å; D943-K946 WeakPolarHBondContact OD2-CE 3.36Å; D943-N947 PolarHBondContact N-ND2 2.83Å; D943-N947 PolarHBondContact O-N 2.9Å; D943-N947 VanDerWaalsContact O-N 3.08Å; D943-N947 PolarHBondContact O-ND2 3.3Å
944	K	79.8	Confident	78.2	Confident	45 Å²	45	49.5 Å²	49.5	20%	0.196	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-43.1	-179.7	-174.6	-171.1	177.1	-171	0	112.2	E916 Y919 K946 F954 E958	E916-K944 IonicContact OE1-NZ 3.37Å; E916-K944 PolarHBondContact OE1-NZ 2.69Å; Y919-K944 PolarHBondContact O-N 2.95Å; K944-K946 PolarHBondContact O-N 3.32Å; K944-F954 HydrophobicContact CB-CD1 3.74Å; K944-F954 HydrophobicContact CB-CD2 4.11Å; K944-F954 HydrophobicContact CB-CE1 3.74Å; K944-F954 HydrophobicContact CB-CE2 4.12Å; K944-F954 HydrophobicContact CB-CG 3.91Å; K944-F954 HydrophobicContact CB-CZ 3.94Å; K944-F954 HydrophobicContact CD-CB 4.37Å; K944-F954 HydrophobicContact CD-CG 4.42Å; K944-F954 HydrophobicContact CG-CB 4.14Å; K944-F954 HydrophobicContact CG-CD1 4.07Å; K944-F954 HydrophobicContact CG-CD2 4.1Å; K944-F954 HydrophobicContact CG-CG 3.82Å; K944-F954 VanDerWaalsContact N-CZ 3.33Å; K944-E958 VanDerWaalsContact CE-OE1 3.29Å; K944-E958 WeakPolarHBondContact CE-OE1 3.44Å; K944-E958 IonicContact NZ-OE1 3.92Å; K944-E958 PolarHBondContact NZ-OE1 3.43Å; K944-E958 IonicContact NZ-OE2 2.8Å; K944-E958 PolarHBondContact NZ-OE2 3.36Å
945	K	73.3	Confident	78.4	Confident	122 Å²	122	47.2 Å²	47.2	53%	0.53	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.3	-178.3	-78.4	173	-173.3	173.8	0	113.2	N918 D943	N918-K945 HydrophobicContact CB-CD 4.19Å; N918-K945 VanDerWaalsContact OD1-CG 3.29Å; N918-K945 WeakPolarHBondContact OD1-CG 3.45Å; N918-K945 PolarHBondContact OD1-N 3.32Å; D943-K945 VanDerWaalsContact C-N 3.28Å; D943-K945 PolarHBondContact O-N 3.21Å; D943-K945 PolarHBondContact OD1-N 2.87Å
946	K	72.1	Confident	78.7	Confident	97 Å²	97	44.8 Å²	44.8	42%	0.422	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-12.6	-175.8	-56.6	-176.4	-174.3	176	0	114.4	N204 D943 K944	N204-K946 WeakPolarHBondContact CB-O 3.46Å; D943-K946 HydrophobicContact CB-CB 4.11Å; D943-K946 HydrophobicContact CB-CD 4.11Å; D943-K946 HydrophobicContact CB-CG 4.07Å; D943-K946 PolarHBondContact O-N 3.4Å; D943-K946 WeakPolarHBondContact OD2-CE 3.36Å; K944-K946 PolarHBondContact O-N 3.32Å
947	N	74.7	Confident	79	Confident	20 Å²	20	43 Å²	43	11%	0.107	21%	0.211	C	C	.	.			trans	-121.7	114.9	-172.8	-66.9	-97.9	0	0	0	111.8	D208 I942 D943 Y950	D208-N947 WeakPolarHBondContact OD1-CA 3.47Å; D208-N947 PolarHBondContact OD1-OD1 3.44Å; D208-N947 VanDerWaalsContact OD1-OD1 3.04Å; I942-N947 HydrophobicContact CG2-CB 3.96Å; D943-N947 PolarHBondContact N-ND2 2.83Å; D943-N947 PolarHBondContact O-N 2.9Å; D943-N947 VanDerWaalsContact O-N 3.08Å; D943-N947 PolarHBondContact O-ND2 3.3Å; N947-Y950 HydrophobicContact CB-CD2 4.38Å
948	Y	75	Confident	79.9	Confident	70 Å²	70	40.7 Å²	40.7	28%	0.275	19%	0.194	S	C	.	.	S	Bend	trans	-90.2	-25.1	176.9	-63.5	-85.5	0	0	0	112.8	N202 N204 M205 D208 F279 Y951	N202-Y948 HydrophobicContact CB-CE2 4.37Å; N202-Y948 PolarHBondContact ND2-OH 2.98Å; N204-Y948 HydrophobicContact CB-CE2 4.12Å; M205-Y948 HydrophobicContact CE-CD1 4.15Å; M205-Y948 HydrophobicContact CE-CD2 4.16Å; M205-Y948 HydrophobicContact CE-CE1 3.88Å; M205-Y948 HydrophobicContact CE-CE2 3.87Å; M205-Y948 HydrophobicContact CE-CG 4.29Å; M205-Y948 HydrophobicContact CG-CD2 3.57Å; M205-Y948 HydrophobicContact CG-CE2 3.56Å; M205-Y948 HydrophobicContact CG-CG 4.36Å; D208-Y948 WeakPolarHBondContact OD2-CB 3.43Å; D208-Y948 PolarHBondContact OD2-N 3.43Å; F279-Y948 HydrophobicContact CD1-CG 4.47Å; F279-Y948 HydrophobicContact CE1-CG 4.42Å; Y948-Y951 VanDerWaalsContact O-CD1 3.24Å; Y948-Y951 WeakPolarHBondContact O-CD1 3.47Å
949	L	81.4	Confident	80.6	Confident	4 Å²	4	34 Å²	34	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-85	-25.1	-179.6	-63.1	176.1	0	0	0	113	D208 T212 E278 F279 Y952 L968	D208-L949 HydrophobicContact CB-CD1 3.93Å; D208-L949 HydrophobicContact CB-CG 4.2Å; T212-L949 HydrophobicContact CG2-CB 4.33Å; T212-L949 HydrophobicContact CG2-CD1 3.61Å; E278-L949 HydrophobicContact CB-CD2 3.87Å; F279-L949 HydrophobicContact CD1-CD2 4.15Å; F279-L949 HydrophobicContact CE1-CD1 4.4Å; F279-L949 HydrophobicContact CE1-CD2 3.71Å; F279-L949 HydrophobicContact CE1-CG 3.78Å; F279-L949 HydrophobicContact CZ-CD1 4.4Å; F279-L949 HydrophobicContact CZ-CD2 4.33Å; F279-L949 HydrophobicContact CZ-CG 4.27Å; L949-Y952 WeakPolarHBondContact O-CE1 3.28Å; L949-L968 HydrophobicContact CD1-CD1 4.33Å; L949-L968 HydrophobicContact CD2-CD2 4.46Å
950	Y	86.4	Confident	81.2	Confident	28 Å²	28	32.9 Å²	32.9	11%	0.11	16%	0.156	C	C	.	.	S	Bend	trans	-97.1	13	-179.5	-70.4	-70.4	0	0	0	114.2	T212 E215 I942 N947 Y952 L953	T212-Y950 HydrophobicContact CG2-CE2 3.86Å; E215-Y950 PolarHBondContact OE2-OH 3.47Å; I942-Y950 HydrophobicContact CD1-CD1 4.36Å; I942-Y950 HydrophobicContact CD1-CD2 4.48Å; I942-Y950 HydrophobicContact CD1-CG 4.28Å; I942-Y950 HydrophobicContact CG2-CD2 4.35Å; I942-Y950 HydrophobicContact CG2-CG 4.28Å; N947-Y950 HydrophobicContact CB-CD2 4.38Å; Y950-Y952 HydrophobicContact CD1-CE1 4.34Å; Y950-Y952 PolarHBondContact O-N 3.22Å; Y950-Y952 VanDerWaalsContact O-N 3.11Å; Y950-L953 HydrophobicContact CD1-CD1 3.76Å; Y950-L953 HydrophobicContact CD1-CG 4.45Å; Y950-L953 HydrophobicContact CG-CD1 4.33Å; Y950-L953 WeakPolarHBondContact O-CB 3.29Å; Y950-L953 PolarHBondContact O-N 2.73Å
951	Y	85.4	Confident	81.8	Confident	19 Å²	19	28.3 Å²	28.3	8%	0.075	14%	0.135	C	C	.	.	H	α-helix	trans	-54	-35.6	-175.4	72.9	-85.4	0	0	0	113.8	Y948 L953 F954 D955 K965	Y948-Y951 VanDerWaalsContact O-CD1 3.24Å; Y948-Y951 WeakPolarHBondContact O-CD1 3.47Å; Y951-L953 PolarHBondContact O-N 2.94Å; Y951-F954 PolarHBondContact O-N 3.27Å; Y951-F954 VanDerWaalsContact O-N 3.09Å; Y951-D955 WeakPolarHBondContact CD2-OD2 3.1Å; Y951-D955 PolarHBondContact O-N 2.92Å; Y951-K965 WeakPolarHBondContact OH-CE 3.46Å
952	Y	87.2	Confident	82.1	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-28	-177.3	65.7	-86.6	0	0	0	112.1	L949 Y950 D955 V956 V967 H972 T974 D989	L949-Y952 WeakPolarHBondContact O-CE1 3.28Å; Y950-Y952 HydrophobicContact CD1-CE1 4.34Å; Y950-Y952 PolarHBondContact O-N 3.22Å; Y950-Y952 VanDerWaalsContact O-N 3.11Å; Y952-D955 PolarHBondContact O-N 3.45Å; Y952-V956 WeakPolarHBondContact O-CG2 3.36Å; Y952-V956 PolarHBondContact O-N 3.15Å; Y952-V967 HydrophobicContact CD1-CG2 3.82Å; Y952-V967 HydrophobicContact CE1-CG2 3.99Å; Y952-H972 HydrophobicContact CD2-CB 4.35Å; Y952-H972 HydrophobicContact CE2-CB 3.83Å; Y952-H972 AromaticContact CE2-CG 3.96Å; Y952-H972 AromaticContact CE2-ND1 3.92Å; Y952-H972 AromaticContact CZ-CG 3.88Å; Y952-H972 AromaticContact CZ-ND1 3.65Å; Y952-H972 PolarHBondContact OH-CE1 3.01Å; Y952-H972 VanDerWaalsContact OH-CE1 3.31Å; Y952-H972 PolarHBondContact OH-ND1 2.87Å; Y952-T974 HydrophobicContact CD2-CG2 4.3Å; Y952-T974 VanDerWaalsContact CD2-OG1 3.3Å; Y952-T974 WeakPolarHBondContact CD2-OG1 3.3Å; Y952-T974 HydrophobicContact CE2-CG2 4.48Å; Y952-T974 WeakPolarHBondContact CE2-OG1 3.23Å; Y952-D989 PolarHBondContact OH-OD2 3.28Å
953	L	91.6	Very high	82.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-48.8	172.4	-59.5	-179.1	0	0	0	109.8	Y883 L921 I942 Y950 Y951 D955 V956 L957 T974 I987 D989	Y883-L953 HydrophobicContact CD2-CD1 4Å; Y883-L953 HydrophobicContact CD2-CD2 4.2Å; Y883-L953 HydrophobicContact CE1-CD1 4.43Å; Y883-L953 HydrophobicContact CE2-CD1 3.76Å; Y883-L953 HydrophobicContact CE2-CD2 4.1Å; Y883-L953 HydrophobicContact CG-CD1 4.42Å; L921-L953 HydrophobicContact CD1-CB 3.75Å; L921-L953 HydrophobicContact CD1-CD1 4.41Å; I942-L953 HydrophobicContact CD1-CD1 4.12Å; Y950-L953 HydrophobicContact CD1-CD1 3.76Å; Y950-L953 HydrophobicContact CD1-CG 4.45Å; Y950-L953 HydrophobicContact CG-CD1 4.33Å; Y950-L953 WeakPolarHBondContact O-CB 3.29Å; Y950-L953 PolarHBondContact O-N 2.73Å; Y951-L953 PolarHBondContact O-N 2.94Å; L953-D955 VanDerWaalsContact C-N 3.3Å; L953-D955 PolarHBondContact O-N 3.35Å; L953-V956 PolarHBondContact O-N 3.14Å; L953-V956 VanDerWaalsContact O-N 3.16Å; L953-L957 PolarHBondContact O-N 3.34Å; L953-T974 HydrophobicContact CD2-CG2 3.7Å; L953-I987 HydrophobicContact CB-CD1 4.22Å; L953-I987 HydrophobicContact CD2-CG2 4.08Å; L953-I987 WeakPolarHBondContact O-CD1 2.86Å; L953-D989 HydrophobicContact CD2-CB 4.03Å
954	F	89.2	Confident	82.2	Confident	3 Å²	3	27.2 Å²	27.2	1%	0.013	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-31.3	179.5	-60.9	-76.3	0	0	0	112.8	Y919 L921 I942 K944 Y951 V956 L957 E958	Y919-F954 WeakPolarHBondContact O-CE1 3.3Å; L921-F954 HydrophobicContact CB-CE1 4.45Å; L921-F954 HydrophobicContact CD1-CD1 4.06Å; L921-F954 HydrophobicContact CD1-CE1 3.77Å; L921-F954 HydrophobicContact CD1-CZ 4.05Å; L921-F954 HydrophobicContact CG-CD1 4.45Å; L921-F954 HydrophobicContact CG-CE1 3.87Å; L921-F954 HydrophobicContact CG-CZ 4.34Å; I942-F954 HydrophobicContact CB-CZ 4.34Å; I942-F954 HydrophobicContact CG2-CE2 3.79Å; I942-F954 HydrophobicContact CG2-CZ 3.79Å; I942-F954 WeakPolarHBondContact O-CZ 3.43Å; K944-F954 HydrophobicContact CB-CD1 3.74Å; K944-F954 HydrophobicContact CB-CD2 4.11Å; K944-F954 HydrophobicContact CB-CE1 3.74Å; K944-F954 HydrophobicContact CB-CE2 4.12Å; K944-F954 HydrophobicContact CB-CG 3.91Å; K944-F954 HydrophobicContact CB-CZ 3.94Å; K944-F954 HydrophobicContact CD-CB 4.37Å; K944-F954 HydrophobicContact CD-CG 4.42Å; K944-F954 HydrophobicContact CG-CB 4.14Å; K944-F954 HydrophobicContact CG-CD1 4.07Å; K944-F954 HydrophobicContact CG-CD2 4.1Å; K944-F954 HydrophobicContact CG-CG 3.82Å; K944-F954 VanDerWaalsContact N-CZ 3.33Å; Y951-F954 PolarHBondContact O-N 3.27Å; Y951-F954 VanDerWaalsContact O-N 3.09Å; F954-V956 VanDerWaalsContact C-N 3.3Å; F954-V956 PolarHBondContact O-N 3.39Å; F954-L957 HydrophobicContact CD1-CD2 4.23Å; F954-L957 WeakPolarHBondContact O-CB 3.25Å; F954-L957 PolarHBondContact O-N 3.37Å; F954-E958 WeakPolarHBondContact O-CB 3.33Å; F954-E958 WeakPolarHBondContact O-CG 3.21Å; F954-E958 PolarHBondContact O-N 2.88Å
955	D	85.7	Confident	82.4	Confident	10 Å²	10	28 Å²	28	5%	0.053	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-42.5	172.3	-65.6	-19.5	0	0	0	111.4	R285 R289 Y951 Y952 L953 S959 L963	R285-D955 IonicContact NH1-OD1 2.72Å; R285-D955 IonicContact NH1-OD2 3.45Å; R289-D955 IonicContact CZ-OD1 3.39Å; R289-D955 VanDerWaalsContact CZ-OD1 3.24Å; R289-D955 IonicContact CZ-OD2 3.04Å; R289-D955 IonicContact NH1-OD1 3.92Å; R289-D955 PolarHBondContact NH1-OD1 3.07Å; R289-D955 IonicContact NH1-OD2 3.46Å; R289-D955 IonicContact NH2-OD1 2.74Å; R289-D955 PolarHBondContact NH2-OD1 3.05Å; R289-D955 VanDerWaalsContact NH2-OD1 3.08Å; R289-D955 IonicContact NH2-OD2 3.69Å; R289-D955 PolarHBondContact NH2-OD2 3.06Å; Y951-D955 WeakPolarHBondContact CD2-OD2 3.1Å; Y951-D955 PolarHBondContact O-N 2.92Å; Y952-D955 PolarHBondContact O-N 3.45Å; L953-D955 VanDerWaalsContact C-N 3.3Å; L953-D955 PolarHBondContact O-N 3.35Å; D955-S959 WeakPolarHBondContact O-CB 3.16Å; D955-S959 PolarHBondContact O-N 3.02Å; D955-S959 PolarHBondContact O-OG 3Å; D955-L963 HydrophobicContact CB-CD2 4.02Å
956	V	87	Confident	83	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-42.6	174.7	175	0	0	0	0	111.2	Y952 L953 F954 E958 G960 Y961 L963 T974 P976 I987	Y952-V956 WeakPolarHBondContact O-CG2 3.36Å; Y952-V956 PolarHBondContact O-N 3.15Å; L953-V956 PolarHBondContact O-N 3.14Å; L953-V956 VanDerWaalsContact O-N 3.16Å; F954-V956 VanDerWaalsContact C-N 3.3Å; F954-V956 PolarHBondContact O-N 3.39Å; V956-E958 VanDerWaalsContact C-N 3.27Å; V956-E958 PolarHBondContact O-N 2.9Å; V956-G960 WeakPolarHBondContact O-CA 3.41Å; V956-G960 PolarHBondContact O-N 3.21Å; V956-Y961 WeakPolarHBondContact CG1-O 3.19Å; V956-Y961 WeakPolarHBondContact CG2-O 3.49Å; V956-L963 HydrophobicContact CG2-CB 3.41Å; V956-L963 VanDerWaalsContact CG2-CB 3.41Å; V956-L963 HydrophobicContact CG2-CD2 4.34Å; V956-T974 HydrophobicContact CB-CG2 4.05Å; V956-T974 HydrophobicContact CG1-CG2 4.28Å; V956-T974 HydrophobicContact CG2-CG2 3.67Å; V956-P976 HydrophobicContact CG1-CB 3.87Å; V956-P976 HydrophobicContact CG1-CG 4.32Å; V956-I987 HydrophobicContact CB-CD1 4.48Å; V956-I987 HydrophobicContact CG1-CG1 4.19Å
957	L	87	Confident	83.6	Confident	6 Å²	6	20 Å²	20	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-56.3	-43.3	177.9	-168.2	63.4	0	0	0	112.1	R885 Y919 L921 L953 F954 V984 I987	R885-L957 HydrophobicContact CB-CD1 4.37Å; R885-L957 HydrophobicContact CG-CD1 4.36Å; Y919-L957 HydrophobicContact CD1-CD2 4.16Å; Y919-L957 HydrophobicContact CD2-CD2 4.34Å; Y919-L957 HydrophobicContact CG-CD2 3.77Å; L921-L957 HydrophobicContact CD2-CD1 4.18Å; L921-L957 HydrophobicContact CD2-CD2 4.1Å; L921-L957 HydrophobicContact CG-CD2 4.32Å; L953-L957 PolarHBondContact O-N 3.34Å; F954-L957 HydrophobicContact CD1-CD2 4.23Å; F954-L957 WeakPolarHBondContact O-CB 3.25Å; F954-L957 PolarHBondContact O-N 3.37Å; L957-V984 HydrophobicContact CD1-CB 4.27Å; L957-V984 HydrophobicContact CD1-CG1 3.81Å; L957-I987 HydrophobicContact CB-CD1 3.78Å; L957-I987 HydrophobicContact CD1-CD1 4.15Å; L957-I987 HydrophobicContact CD1-CG1 4.48Å
958	E	84.7	Confident	84.1	Confident	30 Å²	30	20 Å²	20	14%	0.14	10%	0.101	C	C	.	.	H	α-helix	trans	-85.7	-35.1	-172.8	-74	-179	-175.9	0	0	113.4	N437 Y919 K944 F954 V956	N437-E958 HydrophobicContact CB-CB 3.99Å; N437-E958 WeakPolarHBondContact ND2-CB 3.34Å; N437-E958 PolarHBondContact ND2-OE2 3.49Å; Y919-E958 HydrophobicContact CD2-CG 3.9Å; Y919-E958 VanDerWaalsContact CD2-OE1 3.32Å; Y919-E958 WeakPolarHBondContact CD2-OE1 3.09Å; Y919-E958 HydrophobicContact CE2-CG 3.63Å; Y919-E958 WeakPolarHBondContact CE2-OE1 3.24Å; K944-E958 VanDerWaalsContact CE-OE1 3.29Å; K944-E958 WeakPolarHBondContact CE-OE1 3.44Å; K944-E958 IonicContact NZ-OE1 3.92Å; K944-E958 PolarHBondContact NZ-OE1 3.43Å; K944-E958 IonicContact NZ-OE2 2.8Å; K944-E958 PolarHBondContact NZ-OE2 3.36Å; F954-E958 WeakPolarHBondContact O-CB 3.33Å; F954-E958 WeakPolarHBondContact O-CG 3.21Å; F954-E958 PolarHBondContact O-N 2.88Å; V956-E958 VanDerWaalsContact C-N 3.27Å; V956-E958 PolarHBondContact O-N 2.9Å
959	S	81.5	Confident	84.3	Confident	4 Å²	4	18.9 Å²	18.9	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-85	-30.4	179	65.7	0	0	0	0	112.7	Q438 S441 D955 Y961	Q438-S959 WeakPolarHBondContact CG-O 3.42Å; Q438-S959 PolarHBondContact NE2-O 3.12Å; S441-S959 VanDerWaalsContact OG-CB 3.23Å; S441-S959 WeakPolarHBondContact OG-CB 3.45Å; S441-S959 PolarHBondContact OG-OG 2.84Å; D955-S959 WeakPolarHBondContact O-CB 3.16Å; D955-S959 PolarHBondContact O-N 3.02Å; D955-S959 PolarHBondContact O-OG 3Å; S959-Y961 PolarHBondContact OG-N 2.71Å
960	G	78.4	Confident	84.5	Confident	14 Å²	14	21.3 Å²	21.3	14%	0.144	12%	0.12	C	C	.	.			trans	70.8	17.4	-170	0	0	0	0	0	113.3	V956 P976	V956-G960 WeakPolarHBondContact O-CA 3.41Å; V956-G960 PolarHBondContact O-N 3.21Å; G960-P976 WeakPolarHBondContact O-CG 3.46Å
961	Y	79.6	Confident	84.6	Confident	14 Å²	14	21.8 Å²	21.8	6%	0.055	12%	0.123	C	C	.	.	S	Bend	trans	-110.1	146.5	179.6	-61.1	-48.2	0	0	0	112.2	R309 W337 L428 Q438 I442 V956 S959 L963	R309-Y961 PolarHBondContact NH1-OH 3.45Å; W337-Y961 AromaticContact CH2-CD2 3.97Å; W337-Y961 HydrophobicContact CH2-CD2 3.97Å; W337-Y961 HydrophobicContact CH2-CE2 4.4Å; W337-Y961 HydrophobicContact CH2-CG 4.36Å; W337-Y961 HydrophobicContact CZ2-CD1 4.28Å; W337-Y961 AromaticContact CZ2-CD2 3.68Å; W337-Y961 HydrophobicContact CZ2-CD2 3.68Å; W337-Y961 HydrophobicContact CZ2-CE1 4.41Å; W337-Y961 AromaticContact CZ2-CE2 3.81Å; W337-Y961 HydrophobicContact CZ2-CE2 3.81Å; W337-Y961 AromaticContact CZ2-CG 3.94Å; W337-Y961 HydrophobicContact CZ2-CG 3.94Å; L428-Y961 HydrophobicContact CD1-CD1 4.42Å; L428-Y961 HydrophobicContact CD1-CE1 3.92Å; Q438-Y961 HydrophobicContact CB-CE2 3.69Å; Q438-Y961 HydrophobicContact CG-CD2 4.42Å; Q438-Y961 HydrophobicContact CG-CE2 3.61Å; I442-Y961 HydrophobicContact CD1-CE2 4.46Å; I442-Y961 HydrophobicContact CG1-CE2 4.33Å; V956-Y961 WeakPolarHBondContact CG1-O 3.19Å; V956-Y961 WeakPolarHBondContact CG2-O 3.49Å; S959-Y961 PolarHBondContact OG-N 2.71Å; Y961-L963 PolarHBondContact O-N 3.16Å
962	L	81.8	Confident	84.9	Confident	31 Å²	31	21.8 Å²	21.8	16%	0.162	12%	0.123	C	C	.	.			trans	-58.4	133.4	168.8	167.9	63.1	0	0	0	110.4	V964 T974 F975 H1005	L962-V964 HydrophobicContact CD1-CG2 4.42Å; L962-T974 WeakPolarHBondContact CA-O 3.31Å; L962-T974 WeakPolarHBondContact CD1-O 3.42Å; L962-F975 HydrophobicContact CD1-CD1 3.47Å; L962-F975 VanDerWaalsContact CD1-CD1 3.47Å; L962-F975 HydrophobicContact CD1-CD2 4.15Å; L962-F975 HydrophobicContact CD1-CE1 3.45Å; L962-F975 VanDerWaalsContact CD1-CE1 3.45Å; L962-F975 HydrophobicContact CD1-CE2 4.12Å; L962-F975 HydrophobicContact CD1-CG 3.82Å; L962-F975 HydrophobicContact CD1-CZ 3.78Å; L962-F975 HydrophobicContact CD2-CD1 4.16Å; L962-F975 HydrophobicContact CD2-CE1 3.72Å; L962-F975 HydrophobicContact CD2-CZ 4.43Å; L962-F975 HydrophobicContact CG-CD1 4.28Å; L962-F975 HydrophobicContact CG-CE1 4.2Å; L962-H1005 WeakPolarHBondContact CD2-CE1 3.29Å
963	L	80.8	Confident	85	Confident	26 Å²	26	21.8 Å²	21.8	14%	0.136	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.3	174	-173.9	60.5	0	0	0	110.5	D955 V956 Y961 T974	D955-L963 HydrophobicContact CB-CD2 4.02Å; V956-L963 HydrophobicContact CG2-CB 3.41Å; V956-L963 VanDerWaalsContact CG2-CB 3.41Å; V956-L963 HydrophobicContact CG2-CD2 4.34Å; Y961-L963 PolarHBondContact O-N 3.16Å; L963-T974 PolarHBondContact N-O 3.31Å; L963-T974 PolarHBondContact O-N 3.33Å
964	V	83.5	Confident	84.9	Confident	26 Å²	26	21.8 Å²	21.8	16%	0.158	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.8	169.2	-177.5	0	0	0	0	108.9	L344 L962 H972 Y973	L344-V964 HydrophobicContact CD1-CB 3.99Å; L344-V964 HydrophobicContact CD1-CG1 4.13Å; L344-V964 HydrophobicContact CD1-CG2 3.53Å; L962-V964 HydrophobicContact CD1-CG2 4.42Å; V964-H972 CarbonylContact C-O 3.51Å; V964-H972 VanDerWaalsContact CA-O 3.28Å; V964-H972 WeakPolarHBondContact CA-O 3.46Å; V964-Y973 HydrophobicContact CB-CD1 4.31Å; V964-Y973 HydrophobicContact CG1-CD1 3.88Å; V964-Y973 HydrophobicContact CG1-CE1 3.76Å; V964-Y973 HydrophobicContact CG1-CG 4.35Å; V964-Y973 HydrophobicContact CG2-CD1 3.42Å; V964-Y973 VanDerWaalsContact CG2-CD1 3.42Å; V964-Y973 HydrophobicContact CG2-CE1 3.92Å; V964-Y973 HydrophobicContact CG2-CG 4.16Å
965	K	84.9	Confident	84.9	Confident	61 Å²	61	21.9 Å²	21.9	27%	0.265	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.5	-175.8	-154	67.6	175.1	-179.1	0	111.5	Y951 V967 H972	Y951-K965 WeakPolarHBondContact OH-CE 3.46Å; K965-V967 HydrophobicContact CB-CG2 4.38Å; K965-V967 HydrophobicContact CG-CG2 4.11Å; K965-H972 PolarHBondContact N-O 2.84Å; K965-H972 PolarHBondContact O-N 3.11Å
966	C	85.9	Confident	85.1	Confident	47 Å²	47	22.1 Å²	22.1	32%	0.318	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.2	171.3	-166.9	0	0	0	0	108.5	R970 K971	C966-R970 CarbonylContact C-O 3.43Å; C966-R970 WeakPolarHBondContact CA-O 3.42Å; C966-R970 PolarHBondContact SG-O 3.32Å; C966-K971 HydrophobicContact CB-CD 4.11Å; C966-K971 PolarHBondContact SG-NZ 3.08Å
967	V	84	Confident	85.2	Confident	6 Å²	6	22.1 Å²	22.1	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.5	-179.1	-178.2	0	0	0	0	107.8	Y952 K965 G969 R970	Y952-V967 HydrophobicContact CD1-CG2 3.82Å; Y952-V967 HydrophobicContact CE1-CG2 3.99Å; K965-V967 HydrophobicContact CB-CG2 4.38Å; K965-V967 HydrophobicContact CG-CG2 4.11Å; V967-G969 PolarHBondContact O-N 3.11Å; V967-G969 VanDerWaalsContact O-N 3.09Å; V967-R970 PolarHBondContact N-O 3.16Å; V967-R970 PolarHBondContact O-N 3.42Å
968	L	84	Confident	85	Confident	19 Å²	19	22.9 Å²	22.9	10%	0.099	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	36.2	-177.3	-56.7	175.7	0	0	0	114.1	L216 L274 C275 E278 L949 R970	L216-L968 HydrophobicContact CD1-CD1 3.72Å; L274-L968 HydrophobicContact CB-CD2 3.71Å; C275-L968 HydrophobicContact CB-CD2 4.31Å; C275-L968 VanDerWaalsContact SG-CD2 3.56Å; E278-L968 HydrophobicContact CG-CD2 3.93Å; E278-L968 HydrophobicContact CG-CG 4.48Å; L949-L968 HydrophobicContact CD1-CD1 4.33Å; L949-L968 HydrophobicContact CD2-CD2 4.46Å; L968-R970 VanDerWaalsContact C-N 3.27Å; L968-R970 PolarHBondContact O-N 3.37Å
969	G	80.6	Confident	84.6	Confident	47 Å²	47	22.1 Å²	22.1	49%	0.485	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-4.2	-179.5	0	0	0	0	0	115.7	V967	V967-G969 PolarHBondContact O-N 3.11Å; V967-G969 VanDerWaalsContact O-N 3.09Å
970	R	85.5	Confident	84.1	Confident	55 Å²	55	25.8 Å²	25.8	21%	0.208	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.5	175.2	-61.6	-166.8	-178.6	174.6	2.4	112	L216 C966 V967 L968 C991 L993	L216-R970 VanDerWaalsContact CD2-CZ 3.5Å; C966-R970 CarbonylContact C-O 3.43Å; C966-R970 WeakPolarHBondContact CA-O 3.42Å; C966-R970 PolarHBondContact SG-O 3.32Å; V967-R970 PolarHBondContact N-O 3.16Å; V967-R970 PolarHBondContact O-N 3.42Å; L968-R970 VanDerWaalsContact C-N 3.27Å; L968-R970 PolarHBondContact O-N 3.37Å; R970-C991 WeakPolarHBondContact CD-SG 3.33Å; R970-L993 HydrophobicContact CG-CD2 4.39Å
971	K	88.7	Confident	83.6	Confident	38 Å²	38	29.6 Å²	29.6	17%	0.165	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.9	177.3	-49.4	-57.1	176.1	-178.4	0	109	C966 Y973 C991 C992 F995	C966-K971 HydrophobicContact CB-CD 4.11Å; C966-K971 PolarHBondContact SG-NZ 3.08Å; K971-Y973 HydrophobicContact CB-CE2 3.96Å; K971-C991 CarbonylContact O-C 3.59Å; K971-C991 WeakPolarHBondContact O-CA 3.39Å; K971-C992 WeakPolarHBondContact CA-O 3.45Å; K971-C992 WeakPolarHBondContact CB-O 3.4Å; K971-C992 PolarHBondContact N-O 2.73Å; K971-C992 PolarHBondContact O-N 3.37Å; K971-F995 HydrophobicContact CD-CD1 4.4Å; K971-F995 HydrophobicContact CD-CD2 4.46Å; K971-F995 HydrophobicContact CD-CE1 3.91Å; K971-F995 HydrophobicContact CD-CE2 4.01Å; K971-F995 HydrophobicContact CD-CZ 3.71Å; K971-F995 VanDerWaalsContact CE-CZ 3.47Å; K971-F995 HydrophobicContact CG-CD1 4.4Å; K971-F995 HydrophobicContact CG-CE1 4.39Å; K971-F995 HydrophobicContact CG-CG 4.49Å
972	H	90.9	Very high	83.1	Confident	18 Å²	18	31.3 Å²	31.3	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.1	176.1	-69.9	-96.5	0	0	0	108.5	Y952 V964 K965 D989 C991	Y952-H972 HydrophobicContact CD2-CB 4.35Å; Y952-H972 HydrophobicContact CE2-CB 3.83Å; Y952-H972 AromaticContact CE2-CG 3.96Å; Y952-H972 AromaticContact CE2-ND1 3.92Å; Y952-H972 AromaticContact CZ-CG 3.88Å; Y952-H972 AromaticContact CZ-ND1 3.65Å; Y952-H972 PolarHBondContact OH-CE1 3.01Å; Y952-H972 VanDerWaalsContact OH-CE1 3.31Å; Y952-H972 PolarHBondContact OH-ND1 2.87Å; V964-H972 CarbonylContact C-O 3.51Å; V964-H972 VanDerWaalsContact CA-O 3.28Å; V964-H972 WeakPolarHBondContact CA-O 3.46Å; K965-H972 PolarHBondContact N-O 2.84Å; K965-H972 PolarHBondContact O-N 3.11Å; H972-D989 WeakPolarHBondContact CB-OD1 3.33Å; H972-D989 IonicContact CE1-OD2 3.56Å; H972-D989 IonicContact CG-OD1 2.96Å; H972-D989 IonicContact CG-OD2 2.85Å; H972-D989 IonicContact ND1-OD1 3.47Å; H972-D989 IonicContact ND1-OD2 2.86Å; H972-D989 PolarHBondContact ND1-OD2 3.39Å; H972-C991 PolarHBondContact CE1-SG 3.13Å
973	Y	89.5	Confident	82.9	Confident	3 Å²	3	32.5 Å²	32.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	103.7	170	-60.8	-102.1	0	0	0	107.4	L344 V964 K971 F975 V990 F995 L996 L1001	L344-Y973 HydrophobicContact CD1-CE1 4.02Å; V964-Y973 HydrophobicContact CB-CD1 4.31Å; V964-Y973 HydrophobicContact CG1-CD1 3.88Å; V964-Y973 HydrophobicContact CG1-CE1 3.76Å; V964-Y973 HydrophobicContact CG1-CG 4.35Å; V964-Y973 HydrophobicContact CG2-CD1 3.42Å; V964-Y973 VanDerWaalsContact CG2-CD1 3.42Å; V964-Y973 HydrophobicContact CG2-CE1 3.92Å; V964-Y973 HydrophobicContact CG2-CG 4.16Å; K971-Y973 HydrophobicContact CB-CE2 3.96Å; Y973-F975 WeakPolarHBondContact O-CD2 3.38Å; Y973-F975 VanDerWaalsContact O-CE2 3.27Å; Y973-F975 WeakPolarHBondContact O-CE2 3.37Å; Y973-V990 PolarHBondContact N-O 3.27Å; Y973-V990 PolarHBondContact O-N 3.12Å; Y973-F995 WeakPolarHBondContact OH-CA 3.25Å; Y973-F995 VanDerWaalsContact OH-CD1 3.31Å; Y973-F995 WeakPolarHBondContact OH-CD1 3.2Å; Y973-L996 HydrophobicContact CD2-CD1 4.02Å; Y973-L996 HydrophobicContact CD2-CG 4.39Å; Y973-L996 HydrophobicContact CE1-CB 4.46Å; Y973-L996 HydrophobicContact CE1-CD1 4.49Å; Y973-L996 HydrophobicContact CE2-CB 4.39Å; Y973-L996 HydrophobicContact CE2-CD1 3.98Å; Y973-L996 HydrophobicContact CE2-CG 3.86Å; Y973-L996 HydrophobicContact CG-CD1 4.32Å; Y973-L996 PolarHBondContact OH-N 3.37Å; Y973-L1001 HydrophobicContact CD1-CD1 3.89Å; Y973-L1001 HydrophobicContact CE1-CD1 4.22Å
974	T	90.4	Very high	83.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.5	-166.8	-49.8	0	0	0	0	109.9	Y952 L953 V956 L962 L963 I987 I988 D989	Y952-T974 HydrophobicContact CD2-CG2 4.3Å; Y952-T974 VanDerWaalsContact CD2-OG1 3.3Å; Y952-T974 WeakPolarHBondContact CD2-OG1 3.3Å; Y952-T974 HydrophobicContact CE2-CG2 4.48Å; Y952-T974 WeakPolarHBondContact CE2-OG1 3.23Å; L953-T974 HydrophobicContact CD2-CG2 3.7Å; V956-T974 HydrophobicContact CB-CG2 4.05Å; V956-T974 HydrophobicContact CG1-CG2 4.28Å; V956-T974 HydrophobicContact CG2-CG2 3.67Å; L962-T974 WeakPolarHBondContact CA-O 3.31Å; L962-T974 WeakPolarHBondContact CD1-O 3.42Å; L963-T974 PolarHBondContact N-O 3.31Å; L963-T974 PolarHBondContact O-N 3.33Å; T974-I987 HydrophobicContact CG2-CG2 3.24Å; T974-I988 CarbonylContact C-O 3.53Å; T974-I988 WeakPolarHBondContact CA-O 3.27Å; T974-D989 PolarHBondContact OG1-OD1 3.06Å
975	F	89.4	Confident	83.3	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.2	-172.6	-57.6	-96.8	0	0	0	111.3	L962 Y973 I987 I988 V990 L1001 L1004 H1005 L1008	L962-F975 HydrophobicContact CD1-CD1 3.47Å; L962-F975 VanDerWaalsContact CD1-CD1 3.47Å; L962-F975 HydrophobicContact CD1-CD2 4.15Å; L962-F975 HydrophobicContact CD1-CE1 3.45Å; L962-F975 VanDerWaalsContact CD1-CE1 3.45Å; L962-F975 HydrophobicContact CD1-CE2 4.12Å; L962-F975 HydrophobicContact CD1-CG 3.82Å; L962-F975 HydrophobicContact CD1-CZ 3.78Å; L962-F975 HydrophobicContact CD2-CD1 4.16Å; L962-F975 HydrophobicContact CD2-CE1 3.72Å; L962-F975 HydrophobicContact CD2-CZ 4.43Å; L962-F975 HydrophobicContact CG-CD1 4.28Å; L962-F975 HydrophobicContact CG-CE1 4.2Å; Y973-F975 WeakPolarHBondContact O-CD2 3.38Å; Y973-F975 VanDerWaalsContact O-CE2 3.27Å; Y973-F975 WeakPolarHBondContact O-CE2 3.37Å; F975-I987 CarbonylContact O-C 3.55Å; F975-I987 WeakPolarHBondContact O-CA 3.36Å; F975-I988 HydrophobicContact CB-CB 4.44Å; F975-I988 PolarHBondContact N-O 2.89Å; F975-I988 PolarHBondContact O-N 2.94Å; F975-V990 HydrophobicContact CD2-CG2 4.49Å; F975-V990 HydrophobicContact CE2-CG2 4.21Å; F975-L1001 HydrophobicContact CZ-CD1 4.11Å; F975-L1004 HydrophobicContact CD2-CD2 4.42Å; F975-L1004 HydrophobicContact CE2-CD2 3.38Å; F975-L1004 HydrophobicContact CE2-CG 4.06Å; F975-L1004 HydrophobicContact CZ-CD2 3.46Å; F975-L1004 VanDerWaalsContact CZ-CD2 3.46Å; F975-L1004 HydrophobicContact CZ-CG 3.97Å; F975-H1005 AromaticContact CE1-CE1 3.63Å; F975-H1005 AromaticContact CE1-ND1 3.84Å; F975-H1005 AromaticContact CE1-NE2 3.92Å; F975-L1008 HydrophobicContact CB-CD2 3.74Å; F975-L1008 HydrophobicContact CD1-CD2 3.9Å; F975-L1008 HydrophobicContact CG-CD2 4.11Å
976	P	88.6	Confident	83.5	Confident	16 Å²	16	27.6 Å²	27.6	10%	0.104	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.9	171.5	31.3	-33.9	0	0	0	110.4	V956 G960 V984	V956-P976 HydrophobicContact CG1-CB 3.87Å; V956-P976 HydrophobicContact CG1-CG 4.32Å; G960-P976 WeakPolarHBondContact O-CG 3.46Å; P976-V984 HydrophobicContact CB-CG1 4.21Å; P976-V984 HydrophobicContact CB-CG2 4.32Å
977	F	89.3	Confident	83.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.6	171.5	-163.9	-111.7	0	0	0	108.6	L859 F882 V984 I985 G986 I988 L1008 F1011 Q1012 Y1015	L859-F977 HydrophobicContact CD1-CE1 4.13Å; L859-F977 HydrophobicContact CD1-CZ 4.47Å; F882-F977 HydrophobicContact CE2-CB 3.89Å; F882-F977 AromaticContact CE2-CD1 3.77Å; F882-F977 HydrophobicContact CE2-CD1 3.77Å; F882-F977 AromaticContact CE2-CG 3.89Å; F882-F977 HydrophobicContact CE2-CG 3.89Å; F882-F977 AromaticContact CZ-CD1 3.9Å; F882-F977 HydrophobicContact CZ-CD1 3.9Å; F882-F977 HydrophobicContact CZ-CG 4.48Å; F977-V984 CarbonylContact O-C 3.56Å; F977-V984 WeakPolarHBondContact O-CA 3.34Å; F977-I985 HydrophobicContact CD1-CD1 3.28Å; F977-I985 HydrophobicContact CD1-CG1 3.59Å; F977-I985 HydrophobicContact CE1-CD1 3.43Å; F977-I985 VanDerWaalsContact CE1-CD1 3.43Å; F977-I985 HydrophobicContact CE1-CG1 4.25Å; F977-I985 HydrophobicContact CG-CD1 4.45Å; F977-I985 HydrophobicContact CG-CG1 4.42Å; F977-I985 WeakPolarHBondContact O-CG1 3.46Å; F977-I985 PolarHBondContact O-N 3.15Å; F977-G986 WeakPolarHBondContact CA-O 3.37Å; F977-G986 WeakPolarHBondContact CB-O 3.26Å; F977-G986 PolarHBondContact N-O 3.5Å; F977-G986 PolarHBondContact O-N 3.35Å; F977-I988 HydrophobicContact CD2-CD1 4.37Å; F977-L1008 HydrophobicContact CD2-CD1 4.01Å; F977-F1011 HydrophobicContact CE2-CB 3.63Å; F977-F1011 HydrophobicContact CZ-CB 4.27Å; F977-Q1012 HydrophobicContact CD2-CG 4.21Å; F977-Q1012 HydrophobicContact CE2-CG 3.95Å; F977-Y1015 HydrophobicContact CE1-CD1 4.23Å; F977-Y1015 HydrophobicContact CE1-CD2 4.34Å; F977-Y1015 AromaticContact CE1-CG 3.94Å; F977-Y1015 HydrophobicContact CE1-CG 3.94Å; F977-Y1015 HydrophobicContact CZ-CG 4.12Å
978	T	83.6	Confident	84.3	Confident	21 Å²	21	25.4 Å²	25.4	13%	0.129	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.1	-167.5	52.5	0	0	0	0	112.5	K983 V984 Q1012	T978-K983 CarbonylContact C-O 3.48Å; T978-K983 VanDerWaalsContact CA-O 3.25Å; T978-K983 WeakPolarHBondContact CA-O 3.41Å; T978-V984 HydrophobicContact CG2-CG2 4.05Å; T978-Q1012 PolarHBondContact OG1-NE2 3.46Å
979	D	76.4	Confident	84.8	Confident	14 Å²	14	24.6 Å²	24.6	8%	0.075	14%	0.142	C	C	.	.			trans	-84.9	-178.6	168.1	75.9	-5.5	0	0	0	112	N981 N982 K983 I985 Y1015	D979-N981 PolarHBondContact O-N 3.28Å; D979-N981 VanDerWaalsContact O-N 3.15Å; D979-N981 VanDerWaalsContact OD1-C 3.23Å; D979-N981 VanDerWaalsContact OD1-CA 3.29Å; D979-N981 WeakPolarHBondContact OD1-CA 3.35Å; D979-N981 WeakPolarHBondContact OD1-CB 3.47Å; D979-N981 PolarHBondContact OD1-N 3.04Å; D979-N981 PolarHBondContact OD2-ND2 3.45Å; D979-N982 PolarHBondContact O-N 2.87Å; D979-N982 PolarHBondContact OD1-N 3.02Å; D979-K983 PolarHBondContact N-O 2.83Å; D979-K983 WeakPolarHBondContact OD1-CB 3.25Å; D979-K983 PolarHBondContact OD1-N 3.23Å; D979-I985 HydrophobicContact CB-CG2 4.12Å; D979-Y1015 HydrophobicContact CB-CE1 4.39Å
980	S	71.3	Confident	85.3	Confident	82 Å²	82	22.4 Å²	22.4	57%	0.573	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.3	176.6	60.4	0	0	0	0	114.3
981	N	66.4	Low	85.6	Confident	93 Å²	93	19.8 Å²	19.8	50%	0.497	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	11.7	175.4	-56	-53.5	0	0	0	111.9	D979 K983	D979-N981 PolarHBondContact O-N 3.28Å; D979-N981 VanDerWaalsContact O-N 3.15Å; D979-N981 VanDerWaalsContact OD1-C 3.23Å; D979-N981 VanDerWaalsContact OD1-CA 3.29Å; D979-N981 WeakPolarHBondContact OD1-CA 3.35Å; D979-N981 WeakPolarHBondContact OD1-CB 3.47Å; D979-N981 PolarHBondContact OD1-N 3.04Å; D979-N981 PolarHBondContact OD2-ND2 3.45Å; N981-K983 PolarHBondContact O-N 3.48Å
982	N	69.3	Low	85.5	Confident	51 Å²	51	18 Å²	18	27%	0.273	10%	0.101	S	C	.	.	S	Bend	trans	59.3	21.5	-174.7	-62.8	-36.2	0	0	0	114.7	A429 D979	A429-N982 WeakPolarHBondContact CB-ND2 3.38Å; A429-N982 PolarHBondContact N-ND2 3.21Å; A429-N982 VanDerWaalsContact N-ND2 3.12Å; D979-N982 PolarHBondContact O-N 2.87Å; D979-N982 PolarHBondContact OD1-N 3.02Å
983	K	78.9	Confident	85.2	Confident	55 Å²	55	21.8 Å²	21.8	24%	0.239	12%	0.122	C	C	.	.			trans	-81.4	129.1	170.6	-175.1	-167.1	177	-157.4	0	108.9	T978 D979 N981 I985 D1027	T978-K983 CarbonylContact C-O 3.48Å; T978-K983 VanDerWaalsContact CA-O 3.25Å; T978-K983 WeakPolarHBondContact CA-O 3.41Å; D979-K983 PolarHBondContact N-O 2.83Å; D979-K983 WeakPolarHBondContact OD1-CB 3.25Å; D979-K983 PolarHBondContact OD1-N 3.23Å; N981-K983 PolarHBondContact O-N 3.48Å; K983-I985 PolarHBondContact O-N 2.81Å; K983-D1027 IonicContact NZ-OD2 2.71Å; K983-D1027 PolarHBondContact NZ-OD2 3.4Å
984	V	85.1	Confident	85	Confident	11 Å²	11	27.2 Å²	27.2	7%	0.067	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	114.5	176.1	-169	0	0	0	0	110	R885 L957 P976 F977 T978 G986	R885-V984 WeakPolarHBondContact CD-O 3.43Å; R885-V984 PolarHBondContact NH1-O 2.96Å; L957-V984 HydrophobicContact CD1-CB 4.27Å; L957-V984 HydrophobicContact CD1-CG1 3.81Å; P976-V984 HydrophobicContact CB-CG1 4.21Å; P976-V984 HydrophobicContact CB-CG2 4.32Å; F977-V984 CarbonylContact O-C 3.56Å; F977-V984 WeakPolarHBondContact O-CA 3.34Å; T978-V984 HydrophobicContact CG2-CG2 4.05Å; V984-G986 WeakPolarHBondContact CG1-O 3.27Å
985	I	85.7	Confident	84.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-17.1	177.9	54.4	158.8	0	0	0	112.6	R885 F977 D979 K983 Y1015	R885-I985 WeakPolarHBondContact CB-O 3.44Å; R885-I985 PolarHBondContact N-O 3.43Å; F977-I985 HydrophobicContact CD1-CD1 3.28Å; F977-I985 HydrophobicContact CD1-CG1 3.59Å; F977-I985 HydrophobicContact CE1-CD1 3.43Å; F977-I985 VanDerWaalsContact CE1-CD1 3.43Å; F977-I985 HydrophobicContact CE1-CG1 4.25Å; F977-I985 HydrophobicContact CG-CD1 4.45Å; F977-I985 HydrophobicContact CG-CG1 4.42Å; F977-I985 WeakPolarHBondContact O-CG1 3.46Å; F977-I985 PolarHBondContact O-N 3.15Å; D979-I985 HydrophobicContact CB-CG2 4.12Å; K983-I985 PolarHBondContact O-N 2.81Å; I985-Y1015 HydrophobicContact CD1-CD1 3.74Å; I985-Y1015 HydrophobicContact CD1-CD2 4.47Å; I985-Y1015 HydrophobicContact CD1-CE1 3.26Å; I985-Y1015 HydrophobicContact CD1-CE2 4.04Å; I985-Y1015 HydrophobicContact CD1-CG 4.32Å; I985-Y1015 VanDerWaalsContact CD1-CZ 3.42Å
986	G	90	Very high	84.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-178.7	-179.9	0	0	0	0	0	112.5	Y883 F977 V984	Y883-G986 CarbonylContact O-C 3.56Å; Y883-G986 WeakPolarHBondContact O-CA 3.1Å; F977-G986 WeakPolarHBondContact CA-O 3.37Å; F977-G986 WeakPolarHBondContact CB-O 3.26Å; F977-G986 PolarHBondContact N-O 3.5Å; F977-G986 PolarHBondContact O-N 3.35Å; V984-G986 WeakPolarHBondContact CG1-O 3.27Å
987	I	93.1	Very high	84.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.9	-177.2	-68	160.2	0	0	0	109.3	F882 Y883 L921 L953 V956 L957 T974 F975	F882-I987 CarbonylContact C-O 3.48Å; F882-I987 WeakPolarHBondContact CA-O 3.46Å; F882-I987 WeakPolarHBondContact CD2-O 3.48Å; Y883-I987 PolarHBondContact N-O 3.38Å; Y883-I987 PolarHBondContact O-N 3.27Å; L921-I987 HydrophobicContact CD1-CD1 3.74Å; L921-I987 HydrophobicContact CD2-CD1 4.1Å; L953-I987 HydrophobicContact CB-CD1 4.22Å; L953-I987 HydrophobicContact CD2-CG2 4.08Å; L953-I987 WeakPolarHBondContact O-CD1 2.86Å; V956-I987 HydrophobicContact CB-CD1 4.48Å; V956-I987 HydrophobicContact CG1-CG1 4.19Å; L957-I987 HydrophobicContact CB-CD1 3.78Å; L957-I987 HydrophobicContact CD1-CD1 4.15Å; L957-I987 HydrophobicContact CD1-CG1 4.48Å; T974-I987 HydrophobicContact CG2-CG2 3.24Å; F975-I987 CarbonylContact O-C 3.55Å; F975-I987 WeakPolarHBondContact O-CA 3.36Å
988	I	93.6	Very high	83.6	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.4	168.1	-63.2	174.7	0	0	0	108.1	F867 I880 T881 F882 T974 F975 F977 V990 L1008 F1011	F867-I988 HydrophobicContact CE1-CG2 4.32Å; F867-I988 HydrophobicContact CZ-CG2 4.2Å; I880-I988 HydrophobicContact CD1-CG2 4.28Å; I880-I988 HydrophobicContact CG1-CG2 4.24Å; T881-I988 CarbonylContact O-C 3.52Å; T881-I988 WeakPolarHBondContact O-CA 3.05Å; F882-I988 HydrophobicContact CD2-CD1 4.44Å; F882-I988 HydrophobicContact CD2-CG1 3.59Å; F882-I988 HydrophobicContact CE2-CG1 4.29Å; T974-I988 CarbonylContact C-O 3.53Å; T974-I988 WeakPolarHBondContact CA-O 3.27Å; F975-I988 HydrophobicContact CB-CB 4.44Å; F975-I988 PolarHBondContact N-O 2.89Å; F975-I988 PolarHBondContact O-N 2.94Å; F977-I988 HydrophobicContact CD2-CD1 4.37Å; I988-V990 HydrophobicContact CG2-CG2 4.12Å; I988-L1008 HydrophobicContact CD1-CD1 3.66Å; I988-F1011 HydrophobicContact CD1-CD1 3.98Å; I988-F1011 HydrophobicContact CD1-CE1 4.16Å
989	D	93.6	Very high	83.4	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.2	174.2	-171.1	44.7	0	0	0	110.5	I880 T881 Y883 Y952 L953 H972 T974	I880-D989 WeakPolarHBondContact CA-O 3.3Å; T881-D989 PolarHBondContact N-O 2.9Å; T881-D989 PolarHBondContact O-N 3.04Å; Y883-D989 HydrophobicContact CD2-CB 4.39Å; Y883-D989 HydrophobicContact CE2-CB 3.93Å; Y952-D989 PolarHBondContact OH-OD2 3.28Å; L953-D989 HydrophobicContact CD2-CB 4.03Å; H972-D989 WeakPolarHBondContact CB-OD1 3.33Å; H972-D989 IonicContact CE1-OD2 3.56Å; H972-D989 IonicContact CG-OD1 2.96Å; H972-D989 IonicContact CG-OD2 2.85Å; H972-D989 IonicContact ND1-OD1 3.47Å; H972-D989 IonicContact ND1-OD2 2.86Å; H972-D989 PolarHBondContact ND1-OD2 3.39Å; T974-D989 PolarHBondContact OG1-OD1 3.06Å
990	V	92.2	Very high	83.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.5	176.3	-173.1	0	0	0	0	109	I877 I880 Y973 F975 I988 L1004	I877-V990 HydrophobicContact CD1-CG1 3.67Å; I877-V990 HydrophobicContact CG1-CG1 3.83Å; I877-V990 HydrophobicContact CG2-CG1 3.93Å; I880-V990 HydrophobicContact CD1-CG2 3.74Å; I880-V990 HydrophobicContact CG1-CG2 3.93Å; Y973-V990 PolarHBondContact N-O 3.27Å; Y973-V990 PolarHBondContact O-N 3.12Å; F975-V990 HydrophobicContact CD2-CG2 4.49Å; F975-V990 HydrophobicContact CE2-CG2 4.21Å; I988-V990 HydrophobicContact CG2-CG2 4.12Å; V990-L1004 HydrophobicContact CB-CD2 4.21Å; V990-L1004 HydrophobicContact CG1-CD2 4.35Å; V990-L1004 HydrophobicContact CG2-CD1 4.15Å; V990-L1004 HydrophobicContact CG2-CD2 3.75Å
991	C	90.8	Very high	84.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	-178.2	-168.4	0	0	0	0	110.8	D878 E879 R970 K971 H972	D878-C991 PolarHBondContact N-O 2.86Å; E879-C991 HydrophobicContact CB-CB 4.09Å; E879-C991 PolarHBondContact N-O 3.38Å; E879-C991 PolarHBondContact O-N 3.42Å; R970-C991 WeakPolarHBondContact CD-SG 3.33Å; K971-C991 CarbonylContact O-C 3.59Å; K971-C991 WeakPolarHBondContact O-CA 3.39Å; H972-C991 PolarHBondContact CE1-SG 3.13Å
992	C	88.1	Confident	84.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.3	-179.7	-52.5	0	0	0	0	110.7	D878 K971 N994	D878-C992 VanDerWaalsContact OD2-CA 3.27Å; D878-C992 WeakPolarHBondContact OD2-CA 3.38Å; K971-C992 WeakPolarHBondContact CA-O 3.45Å; K971-C992 WeakPolarHBondContact CB-O 3.4Å; K971-C992 PolarHBondContact N-O 2.73Å; K971-C992 PolarHBondContact O-N 3.37Å; C992-N994 VanDerWaalsContact CB-O 3.27Å; C992-N994 WeakPolarHBondContact CB-O 3.41Å
993	L	83.4	Confident	85.7	Confident	98 Å²	98	35.1 Å²	35.1	51%	0.513	17%	0.171	S	C	.	.	S	Bend	trans	-71	-42.6	170.9	-77	168.7	0	0	0	111.3	D878 R970	D878-L993 VanDerWaalsContact OD2-CG 3.28Å; D878-L993 WeakPolarHBondContact OD2-CG 3.5Å; D878-L993 PolarHBondContact OD2-N 3.36Å; R970-L993 HydrophobicContact CG-CD2 4.39Å
994	N	85.1	Confident	86.1	Confident	117 Å²	117	32.9 Å²	32.9	63%	0.626	16%	0.162	S	C	*	.	S	Bend	trans	-106.5	159.1	-179.4	-67.5	-23.9	0	0	0	111.4	C992 L996	C992-N994 VanDerWaalsContact CB-O 3.27Å; C992-N994 WeakPolarHBondContact CB-O 3.41Å; N994-L996 PolarHBondContact O-N 2.87Å
995	F	83.1	Confident	86	Confident	80 Å²	80	33.6 Å²	33.6	35%	0.351	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-65.3	136.6	172.6	-74.5	-84.1	0	0	0	110.6	L346 V348 K971 Y973	L346-F995 HydrophobicContact CD2-CB 4.25Å; V348-F995 HydrophobicContact CG2-CE2 4.48Å; V348-F995 HydrophobicContact CG2-CZ 4.32Å; K971-F995 HydrophobicContact CD-CD1 4.4Å; K971-F995 HydrophobicContact CD-CD2 4.46Å; K971-F995 HydrophobicContact CD-CE1 3.91Å; K971-F995 HydrophobicContact CD-CE2 4.01Å; K971-F995 HydrophobicContact CD-CZ 3.71Å; K971-F995 VanDerWaalsContact CE-CZ 3.47Å; K971-F995 HydrophobicContact CG-CD1 4.4Å; K971-F995 HydrophobicContact CG-CE1 4.39Å; K971-F995 HydrophobicContact CG-CG 4.49Å; Y973-F995 WeakPolarHBondContact OH-CA 3.25Å; Y973-F995 VanDerWaalsContact OH-CD1 3.31Å; Y973-F995 WeakPolarHBondContact OH-CD1 3.2Å
996	L	83.3	Confident	86	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-69.4	138.5	170.7	-65.3	178.2	0	0	0	108.2	N876 Y973 N994 Q1000 L1004	N876-L996 HydrophobicContact CB-CD2 4.14Å; Y973-L996 HydrophobicContact CD2-CD1 4.02Å; Y973-L996 HydrophobicContact CD2-CG 4.39Å; Y973-L996 HydrophobicContact CE1-CB 4.46Å; Y973-L996 HydrophobicContact CE1-CD1 4.49Å; Y973-L996 HydrophobicContact CE2-CB 4.39Å; Y973-L996 HydrophobicContact CE2-CD1 3.98Å; Y973-L996 HydrophobicContact CE2-CG 3.86Å; Y973-L996 HydrophobicContact CG-CD1 4.32Å; Y973-L996 PolarHBondContact OH-N 3.37Å; N994-L996 PolarHBondContact O-N 2.87Å; L996-Q1000 HydrophobicContact CB-CB 4.1Å; L996-Q1000 HydrophobicContact CD2-CB 4.2Å; L996-L1004 HydrophobicContact CD1-CD2 4.38Å
997	N	83.2	Confident	85.9	Confident	69 Å²	69	36.3 Å²	36.3	37%	0.369	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-72.5	167.6	172.7	70.1	35.4	0	0	0	110.6	H999 Q1000 L1001	N997-H999 VanDerWaalsContact C-N 3.25Å; N997-H999 PolarHBondContact O-N 3.16Å; N997-H999 PolarHBondContact OD1-N 3.18Å; N997-H999 VanDerWaalsContact OD1-N 3.13Å; N997-Q1000 VanDerWaalsContact N-OE1 3.14Å; N997-Q1000 PolarHBondContact O-N 3.34Å; N997-Q1000 VanDerWaalsContact OD1-CG 3.28Å; N997-Q1000 WeakPolarHBondContact OD1-CG 3.42Å; N997-Q1000 PolarHBondContact OD1-N 3.34Å; N997-L1001 PolarHBondContact O-N 3.3Å
998	K	79.8	Confident	85.5	Confident	96 Å²	96	37.3 Å²	37.3	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-52.7	-44	-178.6	-173.3	-179.6	179.4	-178.7	0	112.3	H343 L1001 D1002	H343-K998 WeakPolarHBondContact CE1-CE 3.43Å; H343-K998 PolarHBondContact CE1-NZ 3.09Å; H343-K998 WeakPolarHBondContact ND1-CE 3.4Å; H343-K998 WeakPolarHBondContact NE2-CE 3.42Å; H343-K998 PolarHBondContact NE2-NZ 3.34Å; H343-K998 VanDerWaalsContact NE2-NZ 3.1Å; K998-L1001 PolarHBondContact O-N 2.64Å; K998-D1002 WeakPolarHBondContact O-CB 3.29Å; K998-D1002 VanDerWaalsContact O-CG 3.23Å; K998-D1002 PolarHBondContact O-N 2.78Å
999	H	78.9	Confident	85	Confident	104 Å²	104	39.2 Å²	39.2	48%	0.481	19%	0.193	S	C	.	.	H	α-helix	trans	-67.2	-39.6	-177.8	-60	-63.4	0	0	0	113.5	N997 L1001 D1002 Y1003	N997-H999 VanDerWaalsContact C-N 3.25Å; N997-H999 PolarHBondContact O-N 3.16Å; N997-H999 PolarHBondContact OD1-N 3.18Å; N997-H999 VanDerWaalsContact OD1-N 3.13Å; H999-L1001 VanDerWaalsContact C-N 3.32Å; H999-D1002 PolarHBondContact O-N 3.49Å; H999-Y1003 WeakPolarHBondContact O-CB 3.38Å; H999-Y1003 PolarHBondContact O-N 2.93Å
1000	Q	84.2	Confident	84.6	Confident	29 Å²	29	40.2 Å²	40.2	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-39.4	176.3	-70.9	175.4	-39.2	0	0	110.9	L874 N876 L996 N997 L1004	L874-Q1000 HydrophobicContact CD2-CB 4Å; L874-Q1000 HydrophobicContact CD2-CG 3.78Å; N876-Q1000 PolarHBondContact ND2-NE2 3.08Å; N876-Q1000 PolarHBondContact ND2-OE1 3.22Å; L996-Q1000 HydrophobicContact CB-CB 4.1Å; L996-Q1000 HydrophobicContact CD2-CB 4.2Å; N997-Q1000 VanDerWaalsContact N-OE1 3.14Å; N997-Q1000 PolarHBondContact O-N 3.34Å; N997-Q1000 VanDerWaalsContact OD1-CG 3.28Å; N997-Q1000 WeakPolarHBondContact OD1-CG 3.42Å; N997-Q1000 PolarHBondContact OD1-N 3.34Å; Q1000-L1004 PolarHBondContact O-N 3.35Å; Q1000-L1004 VanDerWaalsContact O-N 3.09Å
1001	L	80.9	Confident	84.4	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-45.3	176.4	-171.7	61.3	0	0	0	111.4	L344 Y973 F975 N997 K998 H999 Y1003 L1004 H1005	L344-L1001 HydrophobicContact CB-CD2 3.87Å; L344-L1001 HydrophobicContact CD1-CD2 4.13Å; Y973-L1001 HydrophobicContact CD1-CD1 3.89Å; Y973-L1001 HydrophobicContact CE1-CD1 4.22Å; F975-L1001 HydrophobicContact CZ-CD1 4.11Å; N997-L1001 PolarHBondContact O-N 3.3Å; K998-L1001 PolarHBondContact O-N 2.64Å; H999-L1001 VanDerWaalsContact C-N 3.32Å; L1001-Y1003 VanDerWaalsContact C-N 3.3Å; L1001-Y1003 PolarHBondContact O-N 3.29Å; L1001-L1004 WeakPolarHBondContact O-CB 3.32Å; L1001-L1004 PolarHBondContact O-N 2.85Å; L1001-L1004 VanDerWaalsContact O-N 3.12Å; L1001-H1005 PolarHBondContact O-CD2 3.46Å; L1001-H1005 PolarHBondContact O-N 3.16Å
1002	D	80.6	Confident	84.2	Confident	40 Å²	40	41.8 Å²	41.8	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-40.7	176.1	-70.5	-16.3	0	0	0	111.6	H343 K998 H999 H1005 K1006	H343-D1002 IonicContact CE1-OD1 3.65Å; H343-D1002 IonicContact ND1-OD1 3.63Å; K998-D1002 WeakPolarHBondContact O-CB 3.29Å; K998-D1002 VanDerWaalsContact O-CG 3.23Å; K998-D1002 PolarHBondContact O-N 2.78Å; H999-D1002 PolarHBondContact O-N 3.49Å; D1002-H1005 PolarHBondContact O-N 3.49Å; D1002-K1006 WeakPolarHBondContact O-CG 3.44Å; D1002-K1006 PolarHBondContact O-N 3.05Å
1003	Y	86.6	Confident	84	Confident	16 Å²	16	44.9 Å²	44.9	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-44.1	174.3	175.6	-88.9	0	0	0	111.8	I870 L874 H999 L1001 K1006 S1007 M1078 E1079 L1082	I870-Y1003 HydrophobicContact CG1-CE1 4.2Å; I870-Y1003 HydrophobicContact CG2-CE1 4.38Å; L874-Y1003 HydrophobicContact CD1-CD1 4Å; L874-Y1003 HydrophobicContact CD1-CE1 4.32Å; L874-Y1003 HydrophobicContact CD2-CD1 4.31Å; L874-Y1003 HydrophobicContact CG-CD1 4.24Å; L874-Y1003 HydrophobicContact CG-CE1 4.38Å; H999-Y1003 WeakPolarHBondContact O-CB 3.38Å; H999-Y1003 PolarHBondContact O-N 2.93Å; L1001-Y1003 VanDerWaalsContact C-N 3.3Å; L1001-Y1003 PolarHBondContact O-N 3.29Å; Y1003-K1006 PolarHBondContact O-N 3.05Å; Y1003-S1007 WeakPolarHBondContact O-CB 3.35Å; Y1003-S1007 PolarHBondContact O-N 2.91Å; Y1003-S1007 PolarHBondContact O-OG 3.22Å; Y1003-M1078 HydrophobicContact CD2-CE 3.63Å; Y1003-M1078 HydrophobicContact CE2-CE 3.42Å; Y1003-M1078 VanDerWaalsContact CE2-CE 3.42Å; Y1003-M1078 HydrophobicContact CG-CE 4.37Å; Y1003-E1079 HydrophobicContact CE2-CB 4.05Å; Y1003-E1079 HydrophobicContact CE2-CG 3.95Å; Y1003-L1082 HydrophobicContact CD2-CD1 4.02Å
1004	L	86.8	Confident	84.2	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-42.6	179.6	-175	61.8	0	0	0	111.8	F975 V990 L996 Q1000 L1001 S1007 L1008	F975-L1004 HydrophobicContact CD2-CD2 4.42Å; F975-L1004 HydrophobicContact CE2-CD2 3.38Å; F975-L1004 HydrophobicContact CE2-CG 4.06Å; F975-L1004 HydrophobicContact CZ-CD2 3.46Å; F975-L1004 VanDerWaalsContact CZ-CD2 3.46Å; F975-L1004 HydrophobicContact CZ-CG 3.97Å; V990-L1004 HydrophobicContact CB-CD2 4.21Å; V990-L1004 HydrophobicContact CG1-CD2 4.35Å; V990-L1004 HydrophobicContact CG2-CD1 4.15Å; V990-L1004 HydrophobicContact CG2-CD2 3.75Å; L996-L1004 HydrophobicContact CD1-CD2 4.38Å; Q1000-L1004 PolarHBondContact O-N 3.35Å; Q1000-L1004 VanDerWaalsContact O-N 3.09Å; L1001-L1004 WeakPolarHBondContact O-CB 3.32Å; L1001-L1004 PolarHBondContact O-N 2.85Å; L1001-L1004 VanDerWaalsContact O-N 3.12Å; L1004-S1007 WeakPolarHBondContact O-CB 3.41Å; L1004-S1007 PolarHBondContact O-N 3.38Å; L1004-L1008 PolarHBondContact O-N 3.43Å
1005	H	83.1	Confident	84.5	Confident	26 Å²	26	34.9 Å²	34.9	12%	0.12	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-48.9	174.7	-82.4	-76.4	0	0	0	112.5	L962 F975 L1001 D1002 S1007 L1008 V1009	L962-H1005 WeakPolarHBondContact CD2-CE1 3.29Å; F975-H1005 AromaticContact CE1-CE1 3.63Å; F975-H1005 AromaticContact CE1-ND1 3.84Å; F975-H1005 AromaticContact CE1-NE2 3.92Å; L1001-H1005 PolarHBondContact O-CD2 3.46Å; L1001-H1005 PolarHBondContact O-N 3.16Å; D1002-H1005 PolarHBondContact O-N 3.49Å; H1005-S1007 VanDerWaalsContact C-N 3.28Å; H1005-S1007 PolarHBondContact O-N 2.99Å; H1005-L1008 WeakPolarHBondContact O-CB 3.42Å; H1005-L1008 PolarHBondContact O-N 3.1Å; H1005-L1008 VanDerWaalsContact O-N 3.12Å; H1005-V1009 PolarHBondContact O-N 3.22Å
1006	K	84.7	Confident	84.6	Confident	57 Å²	57	35.4 Å²	35.4	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-35	177.9	-70.5	-176.5	175.4	-168.7	0	112.1	D1002 Y1003 L1008 V1009 L1010 M1078 L1082	D1002-K1006 WeakPolarHBondContact O-CG 3.44Å; D1002-K1006 PolarHBondContact O-N 3.05Å; Y1003-K1006 PolarHBondContact O-N 3.05Å; K1006-L1008 VanDerWaalsContact C-N 3.31Å; K1006-L1008 PolarHBondContact O-N 2.73Å; K1006-V1009 PolarHBondContact O-N 3.31Å; K1006-L1010 PolarHBondContact O-N 3.27Å; K1006-M1078 HydrophobicContact CB-CG 4.15Å; K1006-M1078 HydrophobicContact CB-SD 3.39Å; K1006-M1078 WeakPolarHBondContact CB-SD 3.48Å; K1006-L1082 HydrophobicContact CD-CD1 4.16Å; K1006-L1082 HydrophobicContact CD-CD2 3.85Å; K1006-L1082 HydrophobicContact CD-CG 4.24Å
1007	S	88.3	Confident	84.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-44.8	172.4	-58.9	0	0	0	0	110.6	Y1003 L1004 H1005 V1009 L1010 F1011	Y1003-S1007 WeakPolarHBondContact O-CB 3.35Å; Y1003-S1007 PolarHBondContact O-N 2.91Å; Y1003-S1007 PolarHBondContact O-OG 3.22Å; L1004-S1007 WeakPolarHBondContact O-CB 3.41Å; L1004-S1007 PolarHBondContact O-N 3.38Å; H1005-S1007 VanDerWaalsContact C-N 3.28Å; H1005-S1007 PolarHBondContact O-N 2.99Å; S1007-V1009 VanDerWaalsContact C-N 3.33Å; S1007-V1009 PolarHBondContact O-N 3.04Å; S1007-L1010 WeakPolarHBondContact O-CB 3.42Å; S1007-L1010 PolarHBondContact O-N 2.91Å; S1007-L1010 VanDerWaalsContact O-N 3.13Å; S1007-F1011 WeakPolarHBondContact O-CD2 3.17Å; S1007-F1011 PolarHBondContact O-N 3.18Å; S1007-F1011 VanDerWaalsContact O-N 3.16Å
1008	L	85.1	Confident	84.9	Confident	20 Å²	20	32.9 Å²	32.9	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-39.4	-179.8	-176.1	63.7	0	0	0	113.2	F975 F977 I988 L1004 H1005 K1006 L1010 F1011 Q1012	F975-L1008 HydrophobicContact CB-CD2 3.74Å; F975-L1008 HydrophobicContact CD1-CD2 3.9Å; F975-L1008 HydrophobicContact CG-CD2 4.11Å; F977-L1008 HydrophobicContact CD2-CD1 4.01Å; I988-L1008 HydrophobicContact CD1-CD1 3.66Å; L1004-L1008 PolarHBondContact O-N 3.43Å; H1005-L1008 WeakPolarHBondContact O-CB 3.42Å; H1005-L1008 PolarHBondContact O-N 3.1Å; H1005-L1008 VanDerWaalsContact O-N 3.12Å; K1006-L1008 VanDerWaalsContact C-N 3.31Å; K1006-L1008 PolarHBondContact O-N 2.73Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 PolarHBondContact O-N 2.85Å; L1008-F1011 WeakPolarHBondContact O-CB 3.23Å; L1008-F1011 PolarHBondContact O-N 3.44Å; L1008-Q1012 PolarHBondContact O-N 3.44Å
1009	V	83.4	Confident	85.2	Confident	47 Å²	47	28.9 Å²	28.9	29%	0.285	14%	0.14	S	C	.	.	H	α-helix	trans	-58	-42.8	175.8	176.1	0	0	0	0	110.7	L422 T425 H1005 K1006 S1007 F1011 Q1012 E1013	L422-V1009 HydrophobicContact CD2-CG2 3.8Å; T425-V1009 HydrophobicContact CG2-CG2 4.46Å; H1005-V1009 PolarHBondContact O-N 3.22Å; K1006-V1009 PolarHBondContact O-N 3.31Å; S1007-V1009 VanDerWaalsContact C-N 3.33Å; S1007-V1009 PolarHBondContact O-N 3.04Å; V1009-F1011 VanDerWaalsContact C-N 3.3Å; V1009-F1011 PolarHBondContact O-N 2.95Å; V1009-Q1012 PolarHBondContact O-N 2.96Å; V1009-E1013 PolarHBondContact O-N 3.45Å
1010	L	85.7	Confident	85.4	Confident	23 Å²	23	27.2 Å²	27.2	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-32.7	175.6	-65.2	174.2	0	0	0	112.6	K1006 S1007 L1008 A1014 I1071 K1074 L1075 M1078	K1006-L1010 PolarHBondContact O-N 3.27Å; S1007-L1010 WeakPolarHBondContact O-CB 3.42Å; S1007-L1010 PolarHBondContact O-N 2.91Å; S1007-L1010 VanDerWaalsContact O-N 3.13Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 PolarHBondContact O-N 2.85Å; L1010-A1014 WeakPolarHBondContact O-CB 3.43Å; L1010-A1014 PolarHBondContact O-N 3.49Å; L1010-I1071 HydrophobicContact CB-CD1 4.1Å; L1010-K1074 HydrophobicContact CD1-CB 4.17Å; L1010-K1074 HydrophobicContact CD2-CB 4.32Å; L1010-L1075 HydrophobicContact CD1-CD2 3.93Å; L1010-L1075 HydrophobicContact CD1-CG 4.35Å; L1010-M1078 HydrophobicContact CD1-CB 3.91Å; L1010-M1078 HydrophobicContact CD1-CG 4.29Å; L1010-M1078 HydrophobicContact CD1-SD 3.78Å
1011	F	87.6	Confident	85.4	Confident	3 Å²	3	27.9 Å²	27.9	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-40.6	176.6	-72.7	-142.7	0	0	0	110.8	A866 F867 I870 F977 I988 S1007 L1008 V1009 A1014 Y1015 I1071 L1075	A866-F1011 HydrophobicContact CB-CD2 4.43Å; A866-F1011 HydrophobicContact CB-CE1 3.75Å; A866-F1011 HydrophobicContact CB-CE2 3.56Å; A866-F1011 HydrophobicContact CB-CZ 3.16Å; F867-F1011 HydrophobicContact CD1-CE1 4.19Å; F867-F1011 HydrophobicContact CD1-CZ 4.34Å; F867-F1011 AromaticContact CE1-CE1 3.91Å; F867-F1011 HydrophobicContact CE1-CE1 3.91Å; F867-F1011 HydrophobicContact CE1-CZ 4.4Å; I870-F1011 HydrophobicContact CD1-CE2 3.9Å; I870-F1011 HydrophobicContact CD1-CZ 3.57Å; F977-F1011 HydrophobicContact CE2-CB 3.63Å; F977-F1011 HydrophobicContact CZ-CB 4.27Å; I988-F1011 HydrophobicContact CD1-CD1 3.98Å; I988-F1011 HydrophobicContact CD1-CE1 4.16Å; S1007-F1011 WeakPolarHBondContact O-CD2 3.17Å; S1007-F1011 PolarHBondContact O-N 3.18Å; S1007-F1011 VanDerWaalsContact O-N 3.16Å; L1008-F1011 WeakPolarHBondContact O-CB 3.23Å; L1008-F1011 PolarHBondContact O-N 3.44Å; V1009-F1011 VanDerWaalsContact C-N 3.3Å; V1009-F1011 PolarHBondContact O-N 2.95Å; F1011-A1014 PolarHBondContact O-N 2.9Å; F1011-Y1015 WeakPolarHBondContact O-CB 3.44Å; F1011-Y1015 PolarHBondContact O-N 2.74Å; F1011-I1071 HydrophobicContact CD2-CD1 4.11Å; F1011-I1071 HydrophobicContact CD2-CG1 4.47Å; F1011-L1075 HydrophobicContact CE2-CD1 4.34Å; F1011-L1075 HydrophobicContact CE2-CD2 4.3Å
1012	Q	86.2	Confident	85.5	Confident	31 Å²	31	28 Å²	28	15%	0.145	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-45.3	177.8	-71.3	175.5	-22.8	0	0	111.1	F977 T978 L1008 V1009 A1014 Y1015 E1016	F977-Q1012 HydrophobicContact CD2-CG 4.21Å; F977-Q1012 HydrophobicContact CE2-CG 3.95Å; T978-Q1012 PolarHBondContact OG1-NE2 3.46Å; L1008-Q1012 PolarHBondContact O-N 3.44Å; V1009-Q1012 PolarHBondContact O-N 2.96Å; Q1012-A1014 VanDerWaalsContact C-N 3.34Å; Q1012-A1014 PolarHBondContact O-N 2.86Å; Q1012-Y1015 PolarHBondContact O-N 2.63Å; Q1012-E1016 PolarHBondContact O-N 3.29Å
1013	E	84.7	Confident	85.4	Confident	66 Å²	66	26.5 Å²	26.5	31%	0.308	13%	0.128	S	C	.	.	H	α-helix	trans	-57.2	-47.9	173.8	-172.8	-161.7	145.2	0	0	111	V1009 Y1015 E1016 Q1017 W1059	V1009-E1013 PolarHBondContact O-N 3.45Å; E1013-Y1015 VanDerWaalsContact C-N 3.32Å; E1013-Y1015 PolarHBondContact O-N 3.42Å; E1013-E1016 WeakPolarHBondContact O-CB 3.4Å; E1013-E1016 PolarHBondContact O-N 3.16Å; E1013-Q1017 WeakPolarHBondContact O-CG 3.29Å; E1013-Q1017 PolarHBondContact O-N 2.97Å; E1013-W1059 PolarHBondContact OE1-NE1 3.27Å
1014	A	87.3	Confident	85.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-40.1	179.9	0	0	0	0	0	112.4	M862 L1010 F1011 Q1012 Q1017 L1018 W1059 I1071	M862-A1014 HydrophobicContact CE-CB 4.18Å; M862-A1014 HydrophobicContact SD-CB 3.29Å; M862-A1014 WeakPolarHBondContact SD-CB 3.39Å; L1010-A1014 WeakPolarHBondContact O-CB 3.43Å; L1010-A1014 PolarHBondContact O-N 3.49Å; F1011-A1014 PolarHBondContact O-N 2.9Å; Q1012-A1014 VanDerWaalsContact C-N 3.34Å; Q1012-A1014 PolarHBondContact O-N 2.86Å; A1014-Q1017 PolarHBondContact O-N 2.9Å; A1014-L1018 WeakPolarHBondContact O-CB 3.46Å; A1014-L1018 PolarHBondContact O-N 2.89Å; A1014-W1059 HydrophobicContact CB-CD2 4.38Å; A1014-W1059 HydrophobicContact CB-CE3 4.02Å; A1014-W1059 HydrophobicContact CB-CH2 3.35Å; A1014-W1059 HydrophobicContact CB-CZ2 3.72Å; A1014-W1059 HydrophobicContact CB-CZ3 3.49Å; A1014-W1059 VanDerWaalsContact CB-CZ3 3.49Å; A1014-I1071 HydrophobicContact CB-CD1 4.23Å
1015	Y	89.8	Confident	85.4	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176.1	179.9	-110.2	0	0	0	112	L859 F977 D979 I985 F1011 Q1012 E1013 Q1017 L1018 V1019 T1026	L859-Y1015 HydrophobicContact CD1-CD2 3.88Å; L859-Y1015 HydrophobicContact CD1-CE2 4.44Å; L859-Y1015 HydrophobicContact CD2-CD2 4.47Å; L859-Y1015 HydrophobicContact CD2-CE2 4.25Å; F977-Y1015 HydrophobicContact CE1-CD1 4.23Å; F977-Y1015 HydrophobicContact CE1-CD2 4.34Å; F977-Y1015 AromaticContact CE1-CG 3.94Å; F977-Y1015 HydrophobicContact CE1-CG 3.94Å; F977-Y1015 HydrophobicContact CZ-CG 4.12Å; D979-Y1015 HydrophobicContact CB-CE1 4.39Å; I985-Y1015 HydrophobicContact CD1-CD1 3.74Å; I985-Y1015 HydrophobicContact CD1-CD2 4.47Å; I985-Y1015 HydrophobicContact CD1-CE1 3.26Å; I985-Y1015 HydrophobicContact CD1-CE2 4.04Å; I985-Y1015 HydrophobicContact CD1-CG 4.32Å; I985-Y1015 VanDerWaalsContact CD1-CZ 3.42Å; F1011-Y1015 WeakPolarHBondContact O-CB 3.44Å; F1011-Y1015 PolarHBondContact O-N 2.74Å; Q1012-Y1015 PolarHBondContact O-N 2.63Å; E1013-Y1015 VanDerWaalsContact C-N 3.32Å; E1013-Y1015 PolarHBondContact O-N 3.42Å; Y1015-Q1017 VanDerWaalsContact C-N 3.3Å; Y1015-Q1017 PolarHBondContact O-N 3.4Å; Y1015-L1018 HydrophobicContact CD2-CD2 4.44Å; Y1015-L1018 HydrophobicContact CE2-CD2 4.44Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.47Å; Y1015-L1018 PolarHBondContact O-N 3.24Å; Y1015-V1019 HydrophobicContact CD1-CG2 4.17Å; Y1015-V1019 HydrophobicContact CD2-CG2 4.04Å; Y1015-V1019 HydrophobicContact CE1-CG2 3.68Å; Y1015-V1019 HydrophobicContact CE2-CG2 3.57Å; Y1015-V1019 HydrophobicContact CG-CG2 4.33Å; Y1015-V1019 WeakPolarHBondContact O-CG2 3.3Å; Y1015-V1019 PolarHBondContact O-N 3.47Å; Y1015-T1026 HydrophobicContact CE2-CG2 3.81Å; Y1015-T1026 PolarHBondContact OH-N 3.34Å; Y1015-T1026 VanDerWaalsContact OH-N 3.16Å; Y1015-T1026 PolarHBondContact OH-OG1 3.49Å; Y1015-T1026 VanDerWaalsContact OH-OG1 3.07Å
1016	E	85.2	Confident	85.5	Confident	92 Å²	92	24.7 Å²	24.7	43%	0.43	12%	0.12	S	C	.	.	H	α-helix	trans	-57.1	-45.2	174.1	-168.3	-165.7	151	0	0	111.1	Q1012 E1013 V1019 H1020	Q1012-E1016 PolarHBondContact O-N 3.29Å; E1013-E1016 WeakPolarHBondContact O-CB 3.4Å; E1013-E1016 PolarHBondContact O-N 3.16Å; E1016-V1019 PolarHBondContact O-N 3.47Å; E1016-H1020 WeakPolarHBondContact O-CB 3.35Å; E1016-H1020 PolarHBondContact O-N 2.97Å
1017	Q	85.2	Confident	85.4	Confident	21 Å²	21	22.6 Å²	22.6	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-37.9	177.1	-62.3	-51	-39.4	0	0	112.7	E1013 A1014 Y1015 H1020 Y1021 W1059 F1066	E1013-Q1017 WeakPolarHBondContact O-CG 3.29Å; E1013-Q1017 PolarHBondContact O-N 2.97Å; A1014-Q1017 PolarHBondContact O-N 2.9Å; Y1015-Q1017 VanDerWaalsContact C-N 3.3Å; Y1015-Q1017 PolarHBondContact O-N 3.4Å; Q1017-H1020 PolarHBondContact O-N 3.2Å; Q1017-Y1021 VanDerWaalsContact O-CB 3.3Å; Q1017-Y1021 WeakPolarHBondContact O-CB 3.45Å; Q1017-Y1021 PolarHBondContact O-N 2.84Å; Q1017-W1059 HydrophobicContact CB-CB 4.28Å; Q1017-W1059 HydrophobicContact CB-CG 4.17Å; Q1017-W1059 HydrophobicContact CG-CB 4.48Å; Q1017-W1059 HydrophobicContact CG-CG 4.03Å; Q1017-F1066 HydrophobicContact CB-CE2 4.22Å
1018	L	88.6	Confident	85	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-49.9	174.5	177.2	160	0	0	0	111	S855 L858 L859 A1014 Y1015 H1020 Y1021 I1022 F1066	S855-L1018 WeakPolarHBondContact OG-CD2 3.1Å; L858-L1018 HydrophobicContact CB-CD1 3.58Å; L858-L1018 HydrophobicContact CB-CG 4.31Å; L859-L1018 HydrophobicContact CB-CD1 4.36Å; A1014-L1018 WeakPolarHBondContact O-CB 3.46Å; A1014-L1018 PolarHBondContact O-N 2.89Å; Y1015-L1018 HydrophobicContact CD2-CD2 4.44Å; Y1015-L1018 HydrophobicContact CE2-CD2 4.44Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.47Å; Y1015-L1018 PolarHBondContact O-N 3.24Å; L1018-H1020 VanDerWaalsContact C-N 3.3Å; L1018-H1020 PolarHBondContact O-N 2.97Å; L1018-Y1021 WeakPolarHBondContact O-CA 3.21Å; L1018-Y1021 WeakPolarHBondContact O-CB 3.32Å; L1018-Y1021 PolarHBondContact O-N 3.49Å; L1018-I1022 HydrophobicContact CD2-CD1 3.66Å; L1018-I1022 HydrophobicContact CD2-CG1 4.48Å; L1018-I1022 HydrophobicContact CG-CD1 4.03Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.48Å; L1018-I1022 PolarHBondContact O-N 3Å; L1018-F1066 HydrophobicContact CB-CD2 4.4Å; L1018-F1066 HydrophobicContact CB-CE1 4.13Å; L1018-F1066 HydrophobicContact CB-CE2 3.92Å; L1018-F1066 HydrophobicContact CB-CZ 3.77Å; L1018-F1066 HydrophobicContact CD1-CE1 3.92Å; L1018-F1066 HydrophobicContact CD1-CZ 4.25Å; L1018-F1066 HydrophobicContact CG-CE1 4.3Å; L1018-F1066 HydrophobicContact CG-CZ 4.44Å
1019	V	86.8	Confident	84.8	Confident	13 Å²	13	27.2 Å²	27.2	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-39.6	-180	175.5	0	0	0	0	110.3	Y1015 E1016 Y1021 G1023 D1025 N1031	Y1015-V1019 HydrophobicContact CD1-CG2 4.17Å; Y1015-V1019 HydrophobicContact CD2-CG2 4.04Å; Y1015-V1019 HydrophobicContact CE1-CG2 3.68Å; Y1015-V1019 HydrophobicContact CE2-CG2 3.57Å; Y1015-V1019 HydrophobicContact CG-CG2 4.33Å; Y1015-V1019 WeakPolarHBondContact O-CG2 3.3Å; Y1015-V1019 PolarHBondContact O-N 3.47Å; E1016-V1019 PolarHBondContact O-N 3.47Å; V1019-Y1021 VanDerWaalsContact C-N 3.35Å; V1019-G1023 WeakPolarHBondContact O-CA 3.3Å; V1019-G1023 PolarHBondContact O-N 3.24Å; V1019-D1025 HydrophobicContact CG1-CB 3.96Å; V1019-D1025 HydrophobicContact CG2-CB 4.12Å; V1019-N1031 HydrophobicContact CG1-CB 3.68Å
1020	H	83.1	Confident	84.4	Confident	68 Å²	68	27.9 Å²	27.9	32%	0.315	14%	0.135	S	C	.	.	H	α-helix	trans	-63.3	-37.7	170.7	-179.7	-98.8	0	0	0	112.3	K810 E1016 Q1017 L1018	K810-H1020 WeakPolarHBondContact CE-O 3.49Å; K810-H1020 PolarHBondContact NZ-O 3.21Å; E1016-H1020 WeakPolarHBondContact O-CB 3.35Å; E1016-H1020 PolarHBondContact O-N 2.97Å; Q1017-H1020 PolarHBondContact O-N 3.2Å; L1018-H1020 VanDerWaalsContact C-N 3.3Å; L1018-H1020 PolarHBondContact O-N 2.97Å
1021	Y	82.8	Confident	83.6	Confident	43 Å²	43	29.2 Å²	29.2	17%	0.169	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-43.2	178.7	169.5	-110.5	0	0	0	112.5	K810 L858 Q1017 L1018 V1019 M1060 F1066	K810-Y1021 VanDerWaalsContact CD-O 3.24Å; K810-Y1021 WeakPolarHBondContact CD-O 3.39Å; K810-Y1021 WeakPolarHBondContact CE-O 3.04Å; K810-Y1021 PolarHBondContact NZ-O 2.67Å; L858-Y1021 HydrophobicContact CD1-CE1 4.45Å; Q1017-Y1021 VanDerWaalsContact O-CB 3.3Å; Q1017-Y1021 WeakPolarHBondContact O-CB 3.45Å; Q1017-Y1021 PolarHBondContact O-N 2.84Å; L1018-Y1021 WeakPolarHBondContact O-CA 3.21Å; L1018-Y1021 WeakPolarHBondContact O-CB 3.32Å; L1018-Y1021 PolarHBondContact O-N 3.49Å; V1019-Y1021 VanDerWaalsContact C-N 3.35Å; Y1021-M1060 HydrophobicContact CD2-CE 3.4Å; Y1021-M1060 HydrophobicContact CD2-SD 4.23Å; Y1021-M1060 HydrophobicContact CE2-CE 3.72Å; Y1021-M1060 HydrophobicContact CG-CE 4.34Å; Y1021-F1066 HydrophobicContact CD1-CB 3.44Å; Y1021-F1066 VanDerWaalsContact CD1-CB 3.44Å; Y1021-F1066 HydrophobicContact CD1-CG 4.37Å; Y1021-F1066 HydrophobicContact CD2-CB 4.33Å; Y1021-F1066 HydrophobicContact CE1-CB 3.76Å; Y1021-F1066 HydrophobicContact CG-CB 3.76Å
1022	I	83	Confident	82.2	Confident	9 Å²	9	31 Å²	31	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-87.5	-33.9	-174.6	-56.6	176.4	0	0	0	111.9	S851 L858 L1018 V1024	S851-I1022 WeakPolarHBondContact O-CG2 3.38Å; L858-I1022 HydrophobicContact CD1-CD1 3.71Å; L858-I1022 HydrophobicContact CD1-CG1 4.36Å; L1018-I1022 HydrophobicContact CD2-CD1 3.66Å; L1018-I1022 HydrophobicContact CD2-CG1 4.48Å; L1018-I1022 HydrophobicContact CG-CD1 4.03Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.48Å; L1018-I1022 PolarHBondContact O-N 3Å; I1022-V1024 HydrophobicContact CG2-CG1 3.83Å
1023	G	79.5	Confident	80.4	Confident	8 Å²	8	31 Å²	31	8%	0.082	16%	0.157	C	C	.	.	S	Bend	trans	87.8	1.2	-176	0	0	0	0	0	114.6	V1019 Y1030 N1031	V1019-G1023 WeakPolarHBondContact O-CA 3.3Å; V1019-G1023 PolarHBondContact O-N 3.24Å; G1023-Y1030 WeakPolarHBondContact O-CA 3.41Å; G1023-N1031 PolarHBondContact O-N 3.42Å
1024	V	86	Confident	78.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-138.1	138.5	173.3	68.5	0	0	0	0	109.9	A809 F848 S855 I1022 Q1029	A809-V1024 HydrophobicContact CB-CB 4.03Å; A809-V1024 HydrophobicContact CB-CG1 4.2Å; F848-V1024 HydrophobicContact CD2-CG2 4.44Å; F848-V1024 HydrophobicContact CE2-CG2 3.76Å; S855-V1024 PolarHBondContact OG-O 2.91Å; I1022-V1024 HydrophobicContact CG2-CG1 3.83Å; V1024-Q1029 WeakPolarHBondContact CA-O 3.31Å; V1024-Q1029 WeakPolarHBondContact CG2-O 3.43Å
1025	D	87	Confident	76.3	Confident	12 Å²	12	34 Å²	34	6%	0.064	17%	0.174	C	C	.	.			trans	-78.6	177.5	174.1	76.3	9.7	0	0	0	112	L852 V1019 D1027 G1028 Q1029	L852-D1025 WeakPolarHBondContact CD1-O 3.37Å; V1019-D1025 HydrophobicContact CG1-CB 3.96Å; V1019-D1025 HydrophobicContact CG2-CB 4.12Å; D1025-D1027 PolarHBondContact O-N 3.49Å; D1025-D1027 WeakPolarHBondContact OD1-CA 3.47Å; D1025-D1027 WeakPolarHBondContact OD1-CB 3.29Å; D1025-D1027 PolarHBondContact OD1-N 2.93Å; D1025-G1028 PolarHBondContact O-N 2.87Å; D1025-G1028 PolarHBondContact OD1-N 3.37Å; D1025-Q1029 PolarHBondContact N-O 2.89Å; D1025-Q1029 PolarHBondContact OD1-N 3.46Å; D1025-Q1029 WeakPolarHBondContact OD2-CB 3.4Å
1026	T	86.1	Confident	73.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.9	-179.6	55	0	0	0	0	114.6	R856 L859 H884 Y1015	R856-T1026 HydrophobicContact CG-CG2 4.01Å; R856-T1026 PolarHBondContact NE-O 3.3Å; R856-T1026 PolarHBondContact NH2-O 2.93Å; L859-T1026 HydrophobicContact CB-CG2 4.34Å; L859-T1026 HydrophobicContact CD2-CG2 3.73Å; H884-T1026 WeakPolarHBondContact NE2-CB 3.21Å; H884-T1026 PolarHBondContact NE2-OG1 3.31Å; Y1015-T1026 HydrophobicContact CE2-CG2 3.81Å; Y1015-T1026 PolarHBondContact OH-N 3.34Å; Y1015-T1026 VanDerWaalsContact OH-N 3.16Å; Y1015-T1026 PolarHBondContact OH-OG1 3.49Å; Y1015-T1026 VanDerWaalsContact OH-OG1 3.07Å
1027	D	81.9	Confident	71.4	Confident	14 Å²	14	39.9 Å²	39.9	8%	0.075	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.5	176.7	-73.3	1.4	0	0	0	111.8	H884 K983 D1025	H884-D1027 IonicContact CE1-OD1 2.66Å; H884-D1027 IonicContact NE2-OD1 3.9Å; K983-D1027 IonicContact NZ-OD2 2.71Å; K983-D1027 PolarHBondContact NZ-OD2 3.4Å; D1025-D1027 PolarHBondContact O-N 3.49Å; D1025-D1027 WeakPolarHBondContact OD1-CA 3.47Å; D1025-D1027 WeakPolarHBondContact OD1-CB 3.29Å; D1025-D1027 PolarHBondContact OD1-N 2.93Å
1028	G	80.5	Confident	68.8	Low	14 Å²	14	40.9 Å²	40.9	14%	0.144	20%	0.204	C	C	.	.	S	Bend	trans	86.8	15.4	-179.5	0	0	0	0	0	114.2	F848 D1025	F848-G1028 WeakPolarHBondContact CE2-O 3.49Å; F848-G1028 WeakPolarHBondContact CZ-O 3.29Å; D1025-G1028 PolarHBondContact O-N 2.87Å; D1025-G1028 PolarHBondContact OD1-N 3.37Å
1029	Q	80.8	Confident	66.3	Low	103 Å²	103	45.9 Å²	45.9	48%	0.481	23%	0.229	S	C	.	.			trans	-90.7	134.1	174.4	-49.6	-165.7	-0.2	0	0	110.6	V1024 D1025 N1031	V1024-Q1029 WeakPolarHBondContact CA-O 3.31Å; V1024-Q1029 WeakPolarHBondContact CG2-O 3.43Å; D1025-Q1029 PolarHBondContact N-O 2.89Å; D1025-Q1029 PolarHBondContact OD1-N 3.46Å; D1025-Q1029 WeakPolarHBondContact OD2-CB 3.4Å; Q1029-N1031 PolarHBondContact O-N 3.45Å
1030	Y	74.9	Confident	63.6	Low	62 Å²	62	48.6 Å²	48.6	24%	0.243	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-67.8	131	174.8	-77.2	-92.3	0	0	0	110.2	A809 Y844 F848 G1023 N1032	A809-Y1030 HydrophobicContact CB-CD1 4.15Å; A809-Y1030 HydrophobicContact CB-CE1 3.76Å; Y844-Y1030 PolarHBondContact OH-OH 3.18Å; F848-Y1030 HydrophobicContact CD2-CE1 4.42Å; F848-Y1030 AromaticContact CD2-CE2 3.64Å; F848-Y1030 HydrophobicContact CD2-CE2 3.64Å; F848-Y1030 AromaticContact CD2-CZ 3.53Å; F848-Y1030 VanDerWaalsContact CD2-OH 3.25Å; F848-Y1030 WeakPolarHBondContact CD2-OH 3.42Å; F848-Y1030 HydrophobicContact CE2-CD2 4.38Å; F848-Y1030 AromaticContact CE2-CE2 3.74Å; F848-Y1030 HydrophobicContact CE2-CE2 3.74Å; G1023-Y1030 WeakPolarHBondContact O-CA 3.41Å; Y1030-N1032 PolarHBondContact O-N 2.93Å
1031	N	68.2	Low	61.1	Low	51 Å²	51	53.3 Å²	53.3	27%	0.273	27%	0.268	S	S	.	.			trans	-79.4	101.5	173.8	-175.2	9.4	0	0	0	109.8	V1019 G1023 Q1029 A1033	V1019-N1031 HydrophobicContact CG1-CB 3.68Å; G1023-N1031 PolarHBondContact O-N 3.42Å; Q1029-N1031 PolarHBondContact O-N 3.45Å; N1031-A1033 VanDerWaalsContact C-N 3.32Å; N1031-A1033 PolarHBondContact O-N 2.88Å; N1031-A1033 PolarHBondContact OD1-N 3.27Å
1032	N	58.1	Low	58.7	Low	39 Å²	39	57.5 Å²	57.5	21%	0.209	29%	0.293	C	S	.	.			trans	-91.7	57.1	177.4	-63	-12.8	0	0	0	110.5	T602 Y1030 D1034 E1035	T602-N1032 WeakPolarHBondContact CG2-OD1 3.45Å; Y1030-N1032 PolarHBondContact O-N 2.93Å; N1032-D1034 PolarHBondContact O-N 3.42Å; N1032-E1035 HydrophobicContact CB-CB 4.15Å; N1032-E1035 HydrophobicContact CB-CG 4.07Å; N1032-E1035 PolarHBondContact ND2-OE1 3.01Å; N1032-E1035 PolarHBondContact O-N 3.49Å
1033	A	48.7	Very low	56.4	Low	33 Å²	33	65.8 Å²	65.8	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-52.3	-23.7	178.5	0	0	0	0	0	113.1	N1031 K1037	N1031-A1033 VanDerWaalsContact C-N 3.32Å; N1031-A1033 PolarHBondContact O-N 2.88Å; N1031-A1033 PolarHBondContact OD1-N 3.27Å; A1033-K1037 PolarHBondContact O-N 3.34Å
1034	D	44.9	Very low	54.4	Low	79 Å²	79	74.1 Å²	74.1	42%	0.422	37%	0.369	S	S	.	.	H	α-helix	trans	-79.1	-20.5	176	-67.4	-22.6	0	0	0	114.6	T543 N1032 Y1036 T1038	T543-D1034 PolarHBondContact OG1-OD2 3.33Å; N1032-D1034 PolarHBondContact O-N 3.42Å; D1034-Y1036 VanDerWaalsContact C-N 3.35Å; D1034-T1038 VanDerWaalsContact O-CB 3.3Å; D1034-T1038 WeakPolarHBondContact O-CB 3.25Å; D1034-T1038 PolarHBondContact O-N 3.03Å; D1034-T1038 PolarHBondContact O-OG1 2.88Å
1035	E	40.7	Very low	52	Low	49 Å²	49	79.2 Å²	79.2	23%	0.229	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-48.4	169.3	-91.5	-178.9	-149.9	0	0	109.3	R486 N1032 I1039	R486-E1035 IonicContact NH2-OE2 2.72Å; N1032-E1035 HydrophobicContact CB-CB 4.15Å; N1032-E1035 HydrophobicContact CB-CG 4.07Å; N1032-E1035 PolarHBondContact ND2-OE1 3.01Å; N1032-E1035 PolarHBondContact O-N 3.49Å; E1035-I1039 VanDerWaalsContact O-CD1 3.27Å; E1035-I1039 WeakPolarHBondContact O-CD1 3.44Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.28Å; E1035-I1039 PolarHBondContact O-N 2.87Å; E1035-I1039 VanDerWaalsContact O-N 3.15Å
1036	Y	38.1	Very low	49.5	Very low	103 Å²	103	84 Å²	84	40%	0.404	42%	0.422	S	S	.	.	H	α-helix	trans	-80	-41.5	-171.3	-67.2	-74.8	0	0	0	114	R486 D1034 T1038 I1039 S1040	R486-Y1036 PolarHBondContact NH1-OH 2.85Å; R486-Y1036 VanDerWaalsContact NH2-CZ 3.27Å; R486-Y1036 PolarHBondContact NH2-OH 3.47Å; D1034-Y1036 VanDerWaalsContact C-N 3.35Å; Y1036-T1038 PolarHBondContact O-N 3.42Å; Y1036-I1039 PolarHBondContact O-N 3.39Å; Y1036-I1039 VanDerWaalsContact O-N 3.17Å; Y1036-S1040 PolarHBondContact O-N 2.96Å; Y1036-S1040 VanDerWaalsContact O-N 3.1Å
1037	K	34.9	Very low	47.1	Very low	116 Å²	116	91.8 Å²	91.8	50%	0.504	46%	0.459	S	S	.	.	H	α-helix	trans	-65.5	-23.7	176.1	-77.7	-167.5	173	-164.8	0	112.7	A1033	A1033-K1037 PolarHBondContact O-N 3.34Å
1038	T	31.2	Very low	44.8	Very low	43 Å²	43	95.9 Å²	95.9	26%	0.264	48%	0.48	S	S	.	.	H	α-helix	trans	-87.1	-24.2	176	-41.4	0	0	0	0	112.3	K615 D1034 Y1036	K615-T1038 PolarHBondContact NZ-O 3.45Å; D1034-T1038 VanDerWaalsContact O-CB 3.3Å; D1034-T1038 WeakPolarHBondContact O-CB 3.25Å; D1034-T1038 PolarHBondContact O-N 3.03Å; D1034-T1038 PolarHBondContact O-OG1 2.88Å; Y1036-T1038 PolarHBondContact O-N 3.42Å
1039	I	34.9	Very low	42.4	Very low	105 Å²	105	98.1 Å²	98.1	54%	0.538	49%	0.488	S	S	.	.	H	α-helix	trans	-72	-36.4	171.8	-68	162.2	0	0	0	111	E1035 Y1036	E1035-I1039 VanDerWaalsContact O-CD1 3.27Å; E1035-I1039 WeakPolarHBondContact O-CD1 3.44Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.28Å; E1035-I1039 PolarHBondContact O-N 2.87Å; E1035-I1039 VanDerWaalsContact O-N 3.15Å; Y1036-I1039 PolarHBondContact O-N 3.39Å; Y1036-I1039 VanDerWaalsContact O-N 3.17Å
1040	S	30.1	Very low	40.1	Very low	69 Å²	69	96.9 Å²	96.9	48%	0.483	49%	0.491	S	S	.	.			trans	-98.9	17.5	-175.5	-62.3	0	0	0	0	116.1	Y1036 N1042	Y1036-S1040 PolarHBondContact O-N 2.96Å; Y1036-S1040 VanDerWaalsContact O-N 3.1Å; S1040-N1042 PolarHBondContact O-N 3.31Å
1041	K	30.9	Very low	38	Very low	167 Å²	167	101.2 Å²	101.2	73%	0.726	51%	0.514	S	S	*	.			trans	-71.9	59.7	166.3	-85	-178.3	-177.9	175.2	0	111.4
1042	N	32.5	Very low	36.3	Very low	131 Å²	131	101.9 Å²	101.9	70%	0.701	52%	0.516	S	S	*	.			trans	-71.9	133.7	151	-70.7	-23.7	0	0	0	106.6	S1040 E1044 E1045	S1040-N1042 PolarHBondContact O-N 3.31Å; N1042-E1044 PolarHBondContact O-N 3.12Å; N1042-E1045 PolarHBondContact O-N 2.96Å
1043	Q	34.8	Very low	35.1	Very low	183 Å²	183	107.7 Å²	107.7	86%	0.855	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-60.9	-5.6	-166	-79.3	171.6	-40.3	0	0	115.6	T1046	Q1043-T1046 PolarHBondContact O-OG1 3.07Å
1044	E	36.7	Very low	34.3	Very low	184 Å²	184	114 Å²	114	86%	0.86	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-88.8	-11.3	-176	-69.1	-177	161.6	0	0	115	N1042	N1042-E1044 PolarHBondContact O-N 3.12Å
1045	E	35.6	Very low	34.1	Very low	106 Å²	106	113.8 Å²	113.8	50%	0.495	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-98	12.2	-179	-77.8	-170.4	165.7	0	0	115.4	N1042 E1047 N1049	N1042-E1045 PolarHBondContact O-N 2.96Å; E1045-E1047 VanDerWaalsContact C-N 3.31Å; E1045-E1047 PolarHBondContact O-N 3.25Å; E1045-N1049 PolarHBondContact O-ND2 3.41Å
1046	T	34.4	Very low	34.3	Very low	112 Å²	112	114.7 Å²	114.7	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-69.8	-25.8	178.3	41.2	0	0	0	0	113.5	Q1043	Q1043-T1046 PolarHBondContact O-OG1 3.07Å
1047	E	36.5	Very low	35.1	Very low	165 Å²	165	113.6 Å²	113.6	77%	0.771	58%	0.581	S	S	*	*	H	α-helix	trans	-78.2	-35.3	177.4	-82.3	-179.4	159.4	0	0	113.1	E1045 N1049 S1050	E1045-E1047 VanDerWaalsContact C-N 3.31Å; E1045-E1047 PolarHBondContact O-N 3.25Å; E1047-N1049 PolarHBondContact O-N 2.91Å; E1047-S1050 PolarHBondContact O-OG 3.03Å
1048	I	33.4	Very low	36.7	Very low	99 Å²	99	112 Å²	112	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-71.1	-34.8	-177.9	-56.3	177.4	0	0	0	111.4	S1050 Q1051 I1052	I1048-S1050 VanDerWaalsContact C-N 3.3Å; I1048-S1050 PolarHBondContact O-N 2.73Å; I1048-Q1051 PolarHBondContact O-N 2.68Å; I1048-I1052 HydrophobicContact CG2-CD1 4.1Å
1049	N	30.1	Very low	38.8	Very low	61 Å²	61	110.1 Å²	110.1	33%	0.326	57%	0.567	S	S	.	*	H	α-helix	trans	-69.5	-24	-176.6	-78.4	-64.6	0	0	0	114.1	E1045 E1047 Q1051 I1052 E1053	E1045-N1049 PolarHBondContact O-ND2 3.41Å; E1047-N1049 PolarHBondContact O-N 2.91Å; N1049-Q1051 VanDerWaalsContact C-N 3.27Å; N1049-Q1051 PolarHBondContact O-N 2.93Å; N1049-I1052 PolarHBondContact O-N 3.11Å; N1049-I1052 VanDerWaalsContact O-N 3.15Å; N1049-E1053 PolarHBondContact O-N 3.5Å
1050	S	32.6	Very low	40.7	Very low	78 Å²	78	107.5 Å²	107.5	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-30.7	175.6	66.9	0	0	0	0	112.8	E1047 I1048	E1047-S1050 PolarHBondContact O-OG 3.03Å; I1048-S1050 VanDerWaalsContact C-N 3.3Å; I1048-S1050 PolarHBondContact O-N 2.73Å
1051	Q	30.3	Very low	42.5	Very low	153 Å²	153	106.3 Å²	106.3	72%	0.715	54%	0.541	S	S	*	.	H	α-helix	trans	-80.8	-20	174.5	-67.7	-175.7	-4.8	0	0	113	I1048 N1049	I1048-Q1051 PolarHBondContact O-N 2.68Å; N1049-Q1051 VanDerWaalsContact C-N 3.27Å; N1049-Q1051 PolarHBondContact O-N 2.93Å
1052	I	32.3	Very low	43.8	Very low	64 Å²	64	102.3 Å²	102.3	33%	0.328	55%	0.547	S	S	.	.	H	α-helix	trans	-81.4	-27.7	-179.9	-64.1	172.6	0	0	0	111.6	I1048 N1049 E1054 S1055	I1048-I1052 HydrophobicContact CG2-CD1 4.1Å; N1049-I1052 PolarHBondContact O-N 3.11Å; N1049-I1052 VanDerWaalsContact O-N 3.15Å; I1052-E1054 PolarHBondContact O-N 2.91Å; I1052-S1055 PolarHBondContact O-N 2.91Å; I1052-S1055 PolarHBondContact O-OG 3.46Å; I1052-S1055 VanDerWaalsContact O-OG 3.14Å
1053	E	32.7	Very low	44.9	Very low	161 Å²	161	99 Å²	99	75%	0.752	53%	0.53	S	S	*	.	H	α-helix	trans	-67.4	-33.5	178.3	-80.9	-172.6	165.9	0	0	113.1	N1049 S1055	N1049-E1053 PolarHBondContact O-N 3.5Å; E1053-S1055 VanDerWaalsContact C-N 3.33Å; E1053-S1055 PolarHBondContact O-N 3.46Å
1054	E	32.4	Very low	46.4	Very low	166 Å²	166	93.4 Å²	93.4	78%	0.776	51%	0.506	S	S	*	.	H	α-helix	trans	-69.1	-28.8	178.6	-75.5	-173.8	159	0	0	113.2	I1052	I1052-E1054 PolarHBondContact O-N 2.91Å
1055	S	39.9	Very low	47.9	Very low	74 Å²	74	86 Å²	86	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-85.1	-15.4	-176	51	0	0	0	0	114.8	I1052 E1053 S1057	I1052-S1055 PolarHBondContact O-N 2.91Å; I1052-S1055 PolarHBondContact O-OG 3.46Å; I1052-S1055 VanDerWaalsContact O-OG 3.14Å; E1053-S1055 VanDerWaalsContact C-N 3.33Å; E1053-S1055 PolarHBondContact O-N 3.46Å; S1055-S1057 PolarHBondContact O-N 3.24Å
1056	K	46.4	Very low	50.1	Low	68 Å²	68	81.3 Å²	81.3	30%	0.296	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-81.8	-7	-175.3	-78.7	-167	176.1	-159.1	0	115.8	D1058	K1056-D1058 VanDerWaalsContact C-N 3.27Å; K1056-D1058 PolarHBondContact O-N 2.96Å
1057	S	54.1	Low	52.3	Low	80 Å²	80	79.4 Å²	79.4	56%	0.559	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-78	-8.2	-179.7	76.8	0	0	0	0	114.6	S1055 W1059 M1060	S1055-S1057 PolarHBondContact O-N 3.24Å; S1057-W1059 VanDerWaalsContact C-N 3.3Å; S1057-W1059 PolarHBondContact O-N 2.89Å; S1057-M1060 PolarHBondContact O-N 2.95Å
1058	D	69.5	Low	54.6	Low	84 Å²	84	71.8 Å²	71.8	45%	0.449	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.8	-168.7	-98.1	7.6	0	0	0	115.9	K1056 I1070 K1074	K1056-D1058 VanDerWaalsContact C-N 3.27Å; K1056-D1058 PolarHBondContact O-N 2.96Å; D1058-I1070 WeakPolarHBondContact O-CG2 3.49Å; D1058-K1074 IonicContact OD2-NZ 2.89Å; D1058-K1074 PolarHBondContact OD2-NZ 3.44Å
1059	W	74.7	Confident	57.1	Low	3 Å²	3	71.4 Å²	71.4	1%	0.011	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-99.8	3.3	-177	-68.4	92.6	0	0	0	114	E1013 A1014 Q1017 S1057 F1066 M1067 I1070 I1071 K1074	E1013-W1059 PolarHBondContact OE1-NE1 3.27Å; A1014-W1059 HydrophobicContact CB-CD2 4.38Å; A1014-W1059 HydrophobicContact CB-CE3 4.02Å; A1014-W1059 HydrophobicContact CB-CH2 3.35Å; A1014-W1059 HydrophobicContact CB-CZ2 3.72Å; A1014-W1059 HydrophobicContact CB-CZ3 3.49Å; A1014-W1059 VanDerWaalsContact CB-CZ3 3.49Å; Q1017-W1059 HydrophobicContact CB-CB 4.28Å; Q1017-W1059 HydrophobicContact CB-CG 4.17Å; Q1017-W1059 HydrophobicContact CG-CB 4.48Å; Q1017-W1059 HydrophobicContact CG-CG 4.03Å; S1057-W1059 VanDerWaalsContact C-N 3.3Å; S1057-W1059 PolarHBondContact O-N 2.89Å; W1059-F1066 HydrophobicContact CB-CD2 4.23Å; W1059-F1066 HydrophobicContact CB-CE2 4.11Å; W1059-F1066 HydrophobicContact CE3-CE2 4.27Å; W1059-F1066 HydrophobicContact CE3-CZ 4.44Å; W1059-M1067 PolarHBondContact O-N 2.91Å; W1059-I1070 VanDerWaalsContact C-CD1 3.44Å; W1059-I1070 HydrophobicContact CD2-CG2 4.32Å; W1059-I1070 HydrophobicContact CE3-CB 4.1Å; W1059-I1070 HydrophobicContact CE3-CG2 3.8Å; W1059-I1070 HydrophobicContact CZ3-CB 4.32Å; W1059-I1070 HydrophobicContact CZ3-CG2 4.05Å; W1059-I1070 WeakPolarHBondContact O-CD1 3.38Å; W1059-I1071 HydrophobicContact CH2-CB 4.37Å; W1059-I1071 HydrophobicContact CH2-CD1 3.6Å; W1059-I1071 HydrophobicContact CZ3-CB 4.08Å; W1059-I1071 HydrophobicContact CZ3-CD1 4.13Å; W1059-K1074 HydrophobicContact CH2-CB 4.24Å; W1059-K1074 HydrophobicContact CH2-CG 3.83Å; W1059-K1074 HydrophobicContact CZ2-CD 4.39Å; W1059-K1074 HydrophobicContact CZ2-CG 3.84Å
1060	M	75.1	Confident	59.7	Low	50 Å²	50	70 Å²	70	25%	0.246	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-113	144.1	-172.5	-54.8	-61	-86.5	0	0	110.6	Y1021 S1057 N1064 K1065 F1066	Y1021-M1060 HydrophobicContact CD2-CE 3.4Å; Y1021-M1060 HydrophobicContact CD2-SD 4.23Å; Y1021-M1060 HydrophobicContact CE2-CE 3.72Å; Y1021-M1060 HydrophobicContact CG-CE 4.34Å; S1057-M1060 PolarHBondContact O-N 2.95Å; M1060-N1064 HydrophobicContact CE-CB 4.21Å; M1060-N1064 WeakPolarHBondContact CE-O 3.38Å; M1060-K1065 CarbonylContact C-O 3.53Å; M1060-K1065 WeakPolarHBondContact CA-O 3.38Å; M1060-F1066 HydrophobicContact SD-CB 4.19Å
1061	D	68.1	Low	62.3	Low	43 Å²	43	66.2 Å²	66.2	23%	0.23	36%	0.358	C	S	.	.			trans	-75.7	177.2	168.7	76.2	-3.3	0	0	0	111.6	N1063 N1064 K1065 M1067	D1061-N1063 PolarHBondContact O-N 3.38Å; D1061-N1063 VanDerWaalsContact OD1-C 3.27Å; D1061-N1063 VanDerWaalsContact OD1-CA 3.28Å; D1061-N1063 WeakPolarHBondContact OD1-CA 3.38Å; D1061-N1063 WeakPolarHBondContact OD1-CB 3.36Å; D1061-N1063 PolarHBondContact OD1-N 3.41Å; D1061-N1064 PolarHBondContact O-N 3.05Å; D1061-N1064 PolarHBondContact OD1-N 2.85Å; D1061-K1065 PolarHBondContact N-O 3.41Å; D1061-K1065 WeakPolarHBondContact OD1-CB 3.42Å; D1061-K1065 PolarHBondContact OD1-N 3.22Å; D1061-M1067 HydrophobicContact CB-CG 3.86Å
1062	G	57.7	Low	65	Low	84 Å²	84	60.4 Å²	60.4	87%	0.866	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.5	176.8	0	0	0	0	0	115.1
1063	N	55.8	Low	67.6	Low	61 Å²	61	61 Å²	61	33%	0.326	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	15.3	175.9	-57.7	-40.1	0	0	0	112.5	N582 Q583 D1061 K1065	N582-N1063 WeakPolarHBondContact CB-O 3.33Å; N582-N1063 PolarHBondContact ND2-O 2.9Å; Q583-N1063 PolarHBondContact NE2-OD1 2.96Å; D1061-N1063 PolarHBondContact O-N 3.38Å; D1061-N1063 VanDerWaalsContact OD1-C 3.27Å; D1061-N1063 VanDerWaalsContact OD1-CA 3.28Å; D1061-N1063 WeakPolarHBondContact OD1-CA 3.38Å; D1061-N1063 WeakPolarHBondContact OD1-CB 3.36Å; D1061-N1063 PolarHBondContact OD1-N 3.41Å; N1063-K1065 VanDerWaalsContact C-N 3.33Å; N1063-K1065 HydrophobicContact CB-CD 4.39Å; N1063-K1065 HydrophobicContact CB-CG 4.34Å; N1063-K1065 PolarHBondContact O-N 3.48Å
1064	N	65.3	Low	70.1	Confident	66 Å²	66	54.9 Å²	54.9	35%	0.353	30%	0.304	S	S	.	.	S	Bend	trans	55.4	44.7	-173.4	-71	-17.7	0	0	0	112.7	N582 M1060 D1061	N582-N1064 PolarHBondContact ND2-O 3.27Å; M1060-N1064 HydrophobicContact CE-CB 4.21Å; M1060-N1064 WeakPolarHBondContact CE-O 3.38Å; D1061-N1064 PolarHBondContact O-N 3.05Å; D1061-N1064 PolarHBondContact OD1-N 2.85Å
1065	K	69.7	Low	72.8	Confident	29 Å²	29	47 Å²	47	13%	0.126	27%	0.267	C	S	.	.			trans	-110.7	135.8	172	-61.3	175.4	-178.9	166.1	0	110.9	S580 V581 M1060 D1061 N1063 M1067	S580-K1065 WeakPolarHBondContact O-CE 3.4Å; V581-K1065 WeakPolarHBondContact O-CE 3.33Å; M1060-K1065 CarbonylContact C-O 3.53Å; M1060-K1065 WeakPolarHBondContact CA-O 3.38Å; D1061-K1065 PolarHBondContact N-O 3.41Å; D1061-K1065 WeakPolarHBondContact OD1-CB 3.42Å; D1061-K1065 PolarHBondContact OD1-N 3.22Å; N1063-K1065 VanDerWaalsContact C-N 3.33Å; N1063-K1065 HydrophobicContact CB-CD 4.39Å; N1063-K1065 HydrophobicContact CB-CG 4.34Å; N1063-K1065 PolarHBondContact O-N 3.48Å; K1065-M1067 HydrophobicContact CB-CE 3.91Å; K1065-M1067 PolarHBondContact O-N 3.21Å
1066	F	80.4	Confident	75	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.026	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-63.7	123.5	173.2	-174.1	-92	0	0	0	110.4	M862 Q1017 L1018 Y1021 W1059 M1060 P1068	M862-F1066 HydrophobicContact SD-CZ 4.34Å; Q1017-F1066 HydrophobicContact CB-CE2 4.22Å; L1018-F1066 HydrophobicContact CB-CD2 4.4Å; L1018-F1066 HydrophobicContact CB-CE1 4.13Å; L1018-F1066 HydrophobicContact CB-CE2 3.92Å; L1018-F1066 HydrophobicContact CB-CZ 3.77Å; L1018-F1066 HydrophobicContact CD1-CE1 3.92Å; L1018-F1066 HydrophobicContact CD1-CZ 4.25Å; L1018-F1066 HydrophobicContact CG-CE1 4.3Å; L1018-F1066 HydrophobicContact CG-CZ 4.44Å; Y1021-F1066 HydrophobicContact CD1-CB 3.44Å; Y1021-F1066 VanDerWaalsContact CD1-CB 3.44Å; Y1021-F1066 HydrophobicContact CD1-CG 4.37Å; Y1021-F1066 HydrophobicContact CD2-CB 4.33Å; Y1021-F1066 HydrophobicContact CE1-CB 3.76Å; Y1021-F1066 HydrophobicContact CG-CB 3.76Å; W1059-F1066 HydrophobicContact CB-CD2 4.23Å; W1059-F1066 HydrophobicContact CB-CE2 4.11Å; W1059-F1066 HydrophobicContact CE3-CE2 4.27Å; W1059-F1066 HydrophobicContact CE3-CZ 4.44Å; M1060-F1066 HydrophobicContact SD-CB 4.19Å; F1066-P1068 HydrophobicContact CD1-CG 4.21Å; F1066-P1068 HydrophobicContact CE1-CG 4.12Å
1067	M	81.4	Confident	76.9	Confident	72 Å²	72	43.6 Å²	43.6	36%	0.355	24%	0.243	S	C	.	.			trans	-111.8	105.2	178.9	-76.3	-66.5	132.6	0	0	110.4	W1059 D1061 K1065 K1069 I1070	W1059-M1067 PolarHBondContact O-N 2.91Å; D1061-M1067 HydrophobicContact CB-CG 3.86Å; K1065-M1067 HydrophobicContact CB-CE 3.91Å; K1065-M1067 PolarHBondContact O-N 3.21Å; M1067-K1069 PolarHBondContact O-N 3.03Å; M1067-I1070 HydrophobicContact CB-CD1 3.7Å; M1067-I1070 HydrophobicContact CB-CG1 3.84Å; M1067-I1070 WeakPolarHBondContact O-CB 3.49Å; M1067-I1070 PolarHBondContact O-N 2.79Å
1068	P	85	Confident	78.5	Confident	6 Å²	6	41 Å²	41	4%	0.039	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.6	-179.2	-28.7	35.2	0	0	0	114.2	L858 M862 Y865 F1066 I1070 I1071	L858-P1068 HydrophobicContact CB-CG 4.5Å; L858-P1068 HydrophobicContact CD2-CG 3.55Å; M862-P1068 HydrophobicContact CB-CB 4.09Å; Y865-P1068 HydrophobicContact CD2-CB 4.22Å; Y865-P1068 HydrophobicContact CE2-CB 4.37Å; F1066-P1068 HydrophobicContact CD1-CG 4.21Å; F1066-P1068 HydrophobicContact CE1-CG 4.12Å; P1068-I1070 PolarHBondContact O-N 3.02Å; P1068-I1071 WeakPolarHBondContact O-CG2 3.32Å; P1068-I1071 PolarHBondContact O-N 2.97Å
1069	K	85.3	Confident	79.3	Confident	90 Å²	90	38.3 Å²	38.3	39%	0.391	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.2	178	-73.7	-172.6	177.3	-177.4	0	114	Y865 M1067 I1071 V1072 M1206	Y865-K1069 HydrophobicContact CD1-CG 4.06Å; Y865-K1069 HydrophobicContact CD2-CB 4.37Å; Y865-K1069 HydrophobicContact CD2-CG 3.59Å; Y865-K1069 HydrophobicContact CE1-CD 4.23Å; Y865-K1069 HydrophobicContact CE1-CG 3.84Å; Y865-K1069 HydrophobicContact CE2-CB 4.44Å; Y865-K1069 HydrophobicContact CE2-CD 4.31Å; Y865-K1069 HydrophobicContact CE2-CG 3.32Å; Y865-K1069 HydrophobicContact CG-CG 3.97Å; Y865-K1069 VanDerWaalsContact CZ-CG 3.46Å; Y865-K1069 WeakPolarHBondContact OH-CE 3.36Å; M1067-K1069 PolarHBondContact O-N 3.03Å; K1069-I1071 PolarHBondContact O-N 3.03Å; K1069-I1071 VanDerWaalsContact O-N 3.14Å; K1069-V1072 WeakPolarHBondContact O-CB 3.32Å; K1069-V1072 PolarHBondContact O-N 3.45Å; K1069-M1206 HydrophobicContact CD-CE 3.86Å; K1069-M1206 HydrophobicContact CD-SD 4.26Å
1070	I	85.4	Confident	79.9	Confident	31 Å²	31	38.6 Å²	38.6	16%	0.159	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-25.7	178.8	-70.1	174.1	0	0	0	111.7	D1058 W1059 M1067 P1068 V1072 K1073 K1074	D1058-I1070 WeakPolarHBondContact O-CG2 3.49Å; W1059-I1070 VanDerWaalsContact C-CD1 3.44Å; W1059-I1070 HydrophobicContact CD2-CG2 4.32Å; W1059-I1070 HydrophobicContact CE3-CB 4.1Å; W1059-I1070 HydrophobicContact CE3-CG2 3.8Å; W1059-I1070 HydrophobicContact CZ3-CB 4.32Å; W1059-I1070 HydrophobicContact CZ3-CG2 4.05Å; W1059-I1070 WeakPolarHBondContact O-CD1 3.38Å; M1067-I1070 HydrophobicContact CB-CD1 3.7Å; M1067-I1070 HydrophobicContact CB-CG1 3.84Å; M1067-I1070 WeakPolarHBondContact O-CB 3.49Å; M1067-I1070 PolarHBondContact O-N 2.79Å; P1068-I1070 PolarHBondContact O-N 3.02Å; I1070-V1072 PolarHBondContact O-N 3.13Å; I1070-V1072 VanDerWaalsContact O-N 3.12Å; I1070-K1073 WeakPolarHBondContact O-CA 3.39Å; I1070-K1073 WeakPolarHBondContact O-CB 3.48Å; I1070-K1073 PolarHBondContact O-N 3.48Å; I1070-K1074 HydrophobicContact CG2-CG 4.29Å; I1070-K1074 PolarHBondContact O-N 3Å
1071	I	87.4	Confident	80.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-52.7	-36.1	173.5	-167	59.2	0	0	0	111.8	M862 A866 L1010 F1011 A1014 W1059 P1068 K1069 K1074 L1075	M862-I1071 HydrophobicContact CG-CB 4.13Å; M862-I1071 HydrophobicContact CG-CG1 4.3Å; M862-I1071 HydrophobicContact CG-CG2 4.27Å; A866-I1071 HydrophobicContact CB-CG1 3.87Å; A866-I1071 HydrophobicContact CB-CG2 4.1Å; L1010-I1071 HydrophobicContact CB-CD1 4.1Å; F1011-I1071 HydrophobicContact CD2-CD1 4.11Å; F1011-I1071 HydrophobicContact CD2-CG1 4.47Å; A1014-I1071 HydrophobicContact CB-CD1 4.23Å; W1059-I1071 HydrophobicContact CH2-CB 4.37Å; W1059-I1071 HydrophobicContact CH2-CD1 3.6Å; W1059-I1071 HydrophobicContact CZ3-CB 4.08Å; W1059-I1071 HydrophobicContact CZ3-CD1 4.13Å; P1068-I1071 WeakPolarHBondContact O-CG2 3.32Å; P1068-I1071 PolarHBondContact O-N 2.97Å; K1069-I1071 PolarHBondContact O-N 3.03Å; K1069-I1071 VanDerWaalsContact O-N 3.14Å; I1071-K1074 PolarHBondContact O-N 3.49Å; I1071-L1075 HydrophobicContact CG1-CD1 4.03Å; I1071-L1075 HydrophobicContact CG1-CG 4.37Å; I1071-L1075 WeakPolarHBondContact O-CB 3.39Å; I1071-L1075 VanDerWaalsContact O-CG 3.23Å; I1071-L1075 WeakPolarHBondContact O-CG 3.25Å; I1071-L1075 PolarHBondContact O-N 2.87Å
1072	V	87.4	Confident	81.2	Confident	30 Å²	30	39.3 Å²	39.3	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-43.4	178.1	178.2	0	0	0	0	110.9	W869 K1069 I1070 K1074 L1075 A1076	W869-V1072 HydrophobicContact CD2-CG1 3.81Å; W869-V1072 HydrophobicContact CE3-CG1 3.32Å; W869-V1072 HydrophobicContact CG-CG1 4.43Å; W869-V1072 HydrophobicContact CH2-CG1 4.32Å; W869-V1072 HydrophobicContact CZ3-CG1 3.6Å; K1069-V1072 WeakPolarHBondContact O-CB 3.32Å; K1069-V1072 PolarHBondContact O-N 3.45Å; I1070-V1072 PolarHBondContact O-N 3.13Å; I1070-V1072 VanDerWaalsContact O-N 3.12Å; V1072-K1074 VanDerWaalsContact C-N 3.34Å; V1072-K1074 PolarHBondContact O-N 3.22Å; V1072-L1075 PolarHBondContact O-N 3.3Å; V1072-A1076 VanDerWaalsContact O-CB 3.22Å; V1072-A1076 WeakPolarHBondContact O-CB 3.46Å; V1072-A1076 PolarHBondContact O-N 2.92Å
1073	K	85.2	Confident	82.5	Confident	76 Å²	76	35.8 Å²	35.8	33%	0.33	18%	0.181	S	C	.	.	H	α-helix	trans	-61.2	-43.1	175.8	171.8	170	179.7	179.9	0	111.4	I1070 A1076 K1077 F1152	I1070-K1073 WeakPolarHBondContact O-CA 3.39Å; I1070-K1073 WeakPolarHBondContact O-CB 3.48Å; I1070-K1073 PolarHBondContact O-N 3.48Å; K1073-A1076 PolarHBondContact O-N 3.26Å; K1073-K1077 WeakPolarHBondContact O-CG 3.48Å; K1073-K1077 PolarHBondContact O-N 2.88Å; K1073-F1152 HydrophobicContact CB-CD1 4.26Å; K1073-F1152 HydrophobicContact CB-CE1 3.8Å; K1073-F1152 HydrophobicContact CB-CE2 4.27Å; K1073-F1152 HydrophobicContact CB-CZ 3.82Å; K1073-F1152 HydrophobicContact CD-CB 4.1Å; K1073-F1152 HydrophobicContact CD-CD1 3.71Å; K1073-F1152 HydrophobicContact CD-CD2 4.14Å; K1073-F1152 HydrophobicContact CD-CE1 4.15Å; K1073-F1152 HydrophobicContact CD-CG 3.71Å; K1073-F1152 VanDerWaalsContact CE-CB 3.44Å; K1073-F1152 HydrophobicContact CG-CD1 3.78Å; K1073-F1152 HydrophobicContact CG-CD2 3.71Å; K1073-F1152 HydrophobicContact CG-CE1 3.75Å; K1073-F1152 HydrophobicContact CG-CE2 3.69Å; K1073-F1152 HydrophobicContact CG-CG 3.77Å; K1073-F1152 HydrophobicContact CG-CZ 3.72Å
1074	K	87	Confident	83.8	Confident	34 Å²	34	33.5 Å²	33.5	15%	0.148	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-44.4	178.1	-69.7	-77.7	-163.3	168.2	0	112	L1010 D1058 W1059 I1070 I1071 V1072 A1076 K1077 M1078	L1010-K1074 HydrophobicContact CD1-CB 4.17Å; L1010-K1074 HydrophobicContact CD2-CB 4.32Å; D1058-K1074 IonicContact OD2-NZ 2.89Å; D1058-K1074 PolarHBondContact OD2-NZ 3.44Å; W1059-K1074 HydrophobicContact CH2-CB 4.24Å; W1059-K1074 HydrophobicContact CH2-CG 3.83Å; W1059-K1074 HydrophobicContact CZ2-CD 4.39Å; W1059-K1074 HydrophobicContact CZ2-CG 3.84Å; I1070-K1074 HydrophobicContact CG2-CG 4.29Å; I1070-K1074 PolarHBondContact O-N 3Å; I1071-K1074 PolarHBondContact O-N 3.49Å; V1072-K1074 VanDerWaalsContact C-N 3.34Å; V1072-K1074 PolarHBondContact O-N 3.22Å; K1074-A1076 VanDerWaalsContact C-N 3.34Å; K1074-A1076 PolarHBondContact O-N 3.22Å; K1074-K1077 PolarHBondContact O-N 2.65Å; K1074-M1078 WeakPolarHBondContact O-CB 3.45Å; K1074-M1078 PolarHBondContact O-N 2.84Å
1075	L	88.1	Confident	84.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-43.2	174.9	-72.6	168	0	0	0	111.6	A866 W869 L1010 F1011 I1071 V1072 M1078 E1079	A866-L1075 HydrophobicContact CB-CD1 3.96Å; W869-L1075 HydrophobicContact CB-CD1 4.25Å; W869-L1075 HydrophobicContact CG-CB 4.39Å; W869-L1075 HydrophobicContact CG-CD1 4.29Å; L1010-L1075 HydrophobicContact CD1-CD2 3.93Å; L1010-L1075 HydrophobicContact CD1-CG 4.35Å; F1011-L1075 HydrophobicContact CE2-CD1 4.34Å; F1011-L1075 HydrophobicContact CE2-CD2 4.3Å; I1071-L1075 HydrophobicContact CG1-CD1 4.03Å; I1071-L1075 HydrophobicContact CG1-CG 4.37Å; I1071-L1075 WeakPolarHBondContact O-CB 3.39Å; I1071-L1075 VanDerWaalsContact O-CG 3.23Å; I1071-L1075 WeakPolarHBondContact O-CG 3.25Å; I1071-L1075 PolarHBondContact O-N 2.87Å; V1072-L1075 PolarHBondContact O-N 3.3Å; L1075-M1078 HydrophobicContact CD2-CE 4.26Å; L1075-M1078 PolarHBondContact O-N 2.81Å; L1075-E1079 WeakPolarHBondContact O-CB 3.43Å; L1075-E1079 PolarHBondContact O-N 3.21Å
1076	A	86.9	Confident	85.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-44.3	176.3	0	0	0	0	0	112.2	W869 V1072 K1073 K1074 E1079 L1080 F1152 I1199	W869-A1076 HydrophobicContact CH2-CB 3.97Å; W869-A1076 HydrophobicContact CZ2-CB 3.54Å; V1072-A1076 VanDerWaalsContact O-CB 3.22Å; V1072-A1076 WeakPolarHBondContact O-CB 3.46Å; V1072-A1076 PolarHBondContact O-N 2.92Å; K1073-A1076 PolarHBondContact O-N 3.26Å; K1074-A1076 VanDerWaalsContact C-N 3.34Å; K1074-A1076 PolarHBondContact O-N 3.22Å; A1076-E1079 PolarHBondContact O-N 2.88Å; A1076-L1080 WeakPolarHBondContact O-CG 3.37Å; A1076-L1080 PolarHBondContact O-N 3.47Å; A1076-F1152 HydrophobicContact CB-CE2 4.08Å; A1076-F1152 HydrophobicContact CB-CZ 3.89Å; A1076-I1199 HydrophobicContact CB-CD1 3.77Å; A1076-I1199 HydrophobicContact CB-CG1 4.09Å
1077	K	85.6	Confident	85.5	Confident	71 Å²	71	37 Å²	37	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-42.4	175.1	-76.2	-174.8	173.5	-160.2	0	112.4	K1073 K1074 E1079 L1080 S1081 D1150 F1152	K1073-K1077 WeakPolarHBondContact O-CG 3.48Å; K1073-K1077 PolarHBondContact O-N 2.88Å; K1074-K1077 PolarHBondContact O-N 2.65Å; K1077-E1079 VanDerWaalsContact C-N 3.33Å; K1077-E1079 PolarHBondContact O-N 3.45Å; K1077-L1080 PolarHBondContact O-N 3.27Å; K1077-S1081 WeakPolarHBondContact O-CB 3.3Å; K1077-S1081 PolarHBondContact O-N 3.34Å; K1077-D1150 WeakPolarHBondContact CE-OD1 3.3Å; K1077-D1150 VanDerWaalsContact CE-OD2 3.28Å; K1077-D1150 WeakPolarHBondContact CE-OD2 3.14Å; K1077-D1150 IonicContact NZ-OD1 3.08Å; K1077-D1150 IonicContact NZ-OD2 3.24Å; K1077-D1150 PolarHBondContact NZ-OD2 3.4Å; K1077-F1152 HydrophobicContact CG-CD2 4.23Å; K1077-F1152 HydrophobicContact CG-CE2 4.1Å
1078	M	87	Confident	85.5	Confident	24 Å²	24	35.2 Å²	35.2	12%	0.118	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-43.5	174.9	176.5	-153.5	75.9	0	0	111.3	Y1003 K1006 L1010 K1074 L1075 S1081 L1082	Y1003-M1078 HydrophobicContact CD2-CE 3.63Å; Y1003-M1078 HydrophobicContact CE2-CE 3.42Å; Y1003-M1078 VanDerWaalsContact CE2-CE 3.42Å; Y1003-M1078 HydrophobicContact CG-CE 4.37Å; K1006-M1078 HydrophobicContact CB-CG 4.15Å; K1006-M1078 HydrophobicContact CB-SD 3.39Å; K1006-M1078 WeakPolarHBondContact CB-SD 3.48Å; L1010-M1078 HydrophobicContact CD1-CB 3.91Å; L1010-M1078 HydrophobicContact CD1-CG 4.29Å; L1010-M1078 HydrophobicContact CD1-SD 3.78Å; K1074-M1078 WeakPolarHBondContact O-CB 3.45Å; K1074-M1078 PolarHBondContact O-N 2.84Å; L1075-M1078 HydrophobicContact CD2-CE 4.26Å; L1075-M1078 PolarHBondContact O-N 2.81Å; M1078-S1081 WeakPolarHBondContact O-CB 3.43Å; M1078-S1081 PolarHBondContact O-N 3.03Å; M1078-L1082 HydrophobicContact CE-CD1 4.34Å; M1078-L1082 HydrophobicContact CG-CD1 4.47Å; M1078-L1082 WeakPolarHBondContact O-CG 3.4Å; M1078-L1082 PolarHBondContact O-N 3.4Å
1079	E	87.4	Confident	85.4	Confident	28 Å²	28	41.2 Å²	41.2	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.3	-168.5	-179.4	170.4	0	0	111.7	W869 R873 Y1003 L1075 A1076 K1077 S1081 L1082 L1083 L1195	W869-E1079 PolarHBondContact NE1-OE2 3.12Å; R873-E1079 VanDerWaalsContact CD-OE1 3.3Å; R873-E1079 WeakPolarHBondContact CD-OE1 3.29Å; R873-E1079 IonicContact NE-OE1 3.24Å; R873-E1079 PolarHBondContact NE-OE1 3.08Å; R873-E1079 IonicContact NE-OE2 3.59Å; R873-E1079 PolarHBondContact NE-OE2 3.41Å; Y1003-E1079 HydrophobicContact CE2-CB 4.05Å; Y1003-E1079 HydrophobicContact CE2-CG 3.95Å; L1075-E1079 WeakPolarHBondContact O-CB 3.43Å; L1075-E1079 PolarHBondContact O-N 3.21Å; A1076-E1079 PolarHBondContact O-N 2.88Å; K1077-E1079 VanDerWaalsContact C-N 3.33Å; K1077-E1079 PolarHBondContact O-N 3.45Å; E1079-S1081 VanDerWaalsContact C-N 3.33Å; E1079-S1081 PolarHBondContact O-N 3.3Å; E1079-L1082 WeakPolarHBondContact O-CB 3.49Å; E1079-L1082 PolarHBondContact O-N 2.95Å; E1079-L1083 HydrophobicContact CG-CD1 4.4Å; E1079-L1083 WeakPolarHBondContact O-CG 3.42Å; E1079-L1083 PolarHBondContact O-N 3.49Å; E1079-L1195 HydrophobicContact CB-CD2 3.75Å; E1079-L1195 HydrophobicContact CG-CD2 3.56Å
1080	L	86.4	Confident	85.1	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-42.3	173.6	-73.2	165.2	0	0	0	111.9	A1076 K1077 L1083 T1084 P1151 W1192 L1195 I1199	A1076-L1080 WeakPolarHBondContact O-CG 3.37Å; A1076-L1080 PolarHBondContact O-N 3.47Å; K1077-L1080 PolarHBondContact O-N 3.27Å; L1080-L1083 PolarHBondContact O-N 3.21Å; L1080-T1084 VanDerWaalsContact O-CB 3.29Å; L1080-T1084 WeakPolarHBondContact O-CB 3.43Å; L1080-T1084 PolarHBondContact O-N 3.47Å; L1080-T1084 PolarHBondContact O-OG1 3.33Å; L1080-P1151 HydrophobicContact CD1-CG 3.55Å; L1080-W1192 VanDerWaalsContact CD2-CD1 3.44Å; L1080-W1192 HydrophobicContact CD2-CD2 4.37Å; L1080-W1192 HydrophobicContact CD2-CG 3.99Å; L1080-L1195 HydrophobicContact CD2-CB 4.13Å; L1080-L1195 HydrophobicContact CD2-CD2 3.64Å; L1080-L1195 HydrophobicContact CD2-CG 3.91Å; L1080-L1195 HydrophobicContact CG-CD2 3.59Å; L1080-L1195 HydrophobicContact CG-CG 4.12Å; L1080-I1199 HydrophobicContact CD1-CD1 3.83Å
1081	S	85.9	Confident	84.9	Confident	80 Å²	80	38.4 Å²	38.4	56%	0.559	20%	0.2	S	C	*	.	H	α-helix	trans	-62.3	-43.8	176.1	-179.8	0	0	0	0	111.5	K1077 M1078 E1079 T1084 S1085	K1077-S1081 WeakPolarHBondContact O-CB 3.3Å; K1077-S1081 PolarHBondContact O-N 3.34Å; M1078-S1081 WeakPolarHBondContact O-CB 3.43Å; M1078-S1081 PolarHBondContact O-N 3.03Å; E1079-S1081 VanDerWaalsContact C-N 3.33Å; E1079-S1081 PolarHBondContact O-N 3.3Å; S1081-T1084 PolarHBondContact O-N 2.73Å; S1081-S1085 WeakPolarHBondContact O-CB 3.42Å; S1081-S1085 PolarHBondContact O-N 2.95Å
1082	L	84.4	Confident	84.5	Confident	28 Å²	28	38.5 Å²	38.5	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-46.7	174.5	-78.9	172.6	0	0	0	112	Y1003 K1006 M1078 E1079 S1085 K1086	Y1003-L1082 HydrophobicContact CD2-CD1 4.02Å; K1006-L1082 HydrophobicContact CD-CD1 4.16Å; K1006-L1082 HydrophobicContact CD-CD2 3.85Å; K1006-L1082 HydrophobicContact CD-CG 4.24Å; M1078-L1082 HydrophobicContact CE-CD1 4.34Å; M1078-L1082 HydrophobicContact CG-CD1 4.47Å; M1078-L1082 WeakPolarHBondContact O-CG 3.4Å; M1078-L1082 PolarHBondContact O-N 3.4Å; E1079-L1082 WeakPolarHBondContact O-CB 3.49Å; E1079-L1082 PolarHBondContact O-N 2.95Å; L1082-S1085 PolarHBondContact O-N 2.9Å; L1082-S1085 PolarHBondContact O-OG 3.4Å; L1082-K1086 WeakPolarHBondContact O-CG 3.43Å
1083	L	84.7	Confident	84	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-43	177.8	-72.1	168.9	0	0	0	111.5	E1079 L1080 S1085 K1086 I1087 E1191 W1192 L1195	E1079-L1083 HydrophobicContact CG-CD1 4.4Å; E1079-L1083 WeakPolarHBondContact O-CG 3.42Å; E1079-L1083 PolarHBondContact O-N 3.49Å; L1080-L1083 PolarHBondContact O-N 3.21Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å; L1083-S1085 PolarHBondContact O-N 3.42Å; L1083-K1086 WeakPolarHBondContact O-CB 3.43Å; L1083-K1086 PolarHBondContact O-N 2.85Å; L1083-I1087 PolarHBondContact O-N 3Å; L1083-E1191 HydrophobicContact CD1-CB 4.21Å; L1083-E1191 HydrophobicContact CD2-CB 3.93Å; L1083-E1191 WeakPolarHBondContact CD2-OE2 3.47Å; L1083-W1192 HydrophobicContact CB-CB 4.24Å; L1083-W1192 HydrophobicContact CD1-CB 4.39Å; L1083-L1195 HydrophobicContact CD1-CD2 3.98Å
1084	T	84.5	Confident	83.7	Confident	12 Å²	12	39.4 Å²	39.4	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-39.2	178.9	-54.5	0	0	0	0	111.7	L1080 S1081 K1086 I1087 I1146 V1147 W1192	L1080-T1084 VanDerWaalsContact O-CB 3.29Å; L1080-T1084 WeakPolarHBondContact O-CB 3.43Å; L1080-T1084 PolarHBondContact O-N 3.47Å; L1080-T1084 PolarHBondContact O-OG1 3.33Å; S1081-T1084 PolarHBondContact O-N 2.73Å; T1084-K1086 PolarHBondContact O-N 2.99Å; T1084-I1087 PolarHBondContact O-N 3.12Å; T1084-I1087 VanDerWaalsContact O-N 3.1Å; T1084-I1146 HydrophobicContact CG2-CG2 3.82Å; T1084-V1147 HydrophobicContact CG2-CB 4.34Å; T1084-V1147 HydrophobicContact CG2-CG2 3.5Å; T1084-V1147 VanDerWaalsContact CG2-CG2 3.5Å; T1084-W1192 PolarHBondContact OG1-NE1 2.84Å
1085	S	82.5	Confident	83.1	Confident	93 Å²	93	38 Å²	38	65%	0.65	19%	0.194	S	C	*	.	H	α-helix	trans	-63.7	-19.5	176.5	74.4	0	0	0	0	113.8	S1081 L1082 L1083	S1081-S1085 WeakPolarHBondContact O-CB 3.42Å; S1081-S1085 PolarHBondContact O-N 2.95Å; L1082-S1085 PolarHBondContact O-N 2.9Å; L1082-S1085 PolarHBondContact O-OG 3.4Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å; L1083-S1085 PolarHBondContact O-N 3.42Å
1086	K	83.7	Confident	82.4	Confident	78 Å²	78	40.2 Å²	40.2	34%	0.339	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.5	176.9	-61.2	174	-178.8	-177.7	0	113.7	L1082 L1083 T1084 N1188	L1082-K1086 WeakPolarHBondContact O-CG 3.43Å; L1083-K1086 WeakPolarHBondContact O-CB 3.43Å; L1083-K1086 PolarHBondContact O-N 2.85Å; T1084-K1086 PolarHBondContact O-N 2.99Å; K1086-N1188 HydrophobicContact CB-CB 4.35Å; K1086-N1188 WeakPolarHBondContact CB-ND2 3.46Å
1087	I	83.8	Confident	81.8	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-83.8	120.8	176.9	-62	166.7	0	0	0	107.5	L1083 T1084 K1089 L1091 F1092 H1143 N1188 L1189 W1192	L1083-I1087 PolarHBondContact O-N 3Å; T1084-I1087 PolarHBondContact O-N 3.12Å; T1084-I1087 VanDerWaalsContact O-N 3.1Å; I1087-K1089 PolarHBondContact O-N 2.91Å; I1087-L1091 HydrophobicContact CG2-CD2 4.13Å; I1087-F1092 HydrophobicContact CG2-CE2 4.39Å; I1087-H1143 PolarHBondContact O-NE2 3.46Å; I1087-H1143 VanDerWaalsContact O-NE2 3.1Å; I1087-N1188 HydrophobicContact CG1-CB 3.98Å; I1087-L1189 HydrophobicContact CD1-CB 4.16Å; I1087-L1189 HydrophobicContact CD1-CD1 3.88Å; I1087-W1192 HydrophobicContact CD1-CB 4.44Å
1088	D	82.7	Confident	81.3	Confident	33 Å²	33	52.4 Å²	52.4	18%	0.176	25%	0.248	C	C	.	.			trans	-54.4	126.9	175.7	174.7	18.8	0	0	0	110.8	D1090 L1091 S1185	D1088-D1090 PolarHBondContact O-N 3.32Å; D1088-D1090 PolarHBondContact OD1-N 2.93Å; D1088-L1091 HydrophobicContact CB-CB 4.15Å; D1088-L1091 WeakPolarHBondContact O-CB 3.33Å; D1088-L1091 PolarHBondContact O-N 2.91Å; D1088-L1091 PolarHBondContact OD2-N 3.19Å; D1088-S1185 WeakPolarHBondContact CB-OG 3.48Å; D1088-S1185 PolarHBondContact N-OG 3.48Å
1089	K	81.7	Confident	80.4	Confident	133 Å²	133	58.8 Å²	58.8	58%	0.578	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	178.4	-65.7	-171.9	176.1	-176	0	111.7	I1087	I1087-K1089 PolarHBondContact O-N 2.91Å
1090	D	79.7	Confident	79.7	Confident	60 Å²	60	58.6 Å²	58.6	32%	0.321	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.3	-177.3	-70.6	-19.7	0	0	0	113	D1088 F1092 R1093 N1094	D1088-D1090 PolarHBondContact O-N 3.32Å; D1088-D1090 PolarHBondContact OD1-N 2.93Å; D1090-F1092 PolarHBondContact O-N 3.32Å; D1090-R1093 WeakPolarHBondContact O-CB 3.29Å; D1090-R1093 PolarHBondContact O-N 3.41Å; D1090-R1093 VanDerWaalsContact O-N 3.12Å; D1090-R1093 IonicContact OD1-CZ 2.7Å; D1090-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1090-R1093 IonicContact OD1-NH1 3.82Å; D1090-R1093 PolarHBondContact OD1-NH1 2.91Å; D1090-R1093 IonicContact OD1-NH2 3.12Å; D1090-R1093 PolarHBondContact OD1-NH2 3.26Å; D1090-R1093 IonicContact OD2-NH1 3.43Å; D1090-N1094 WeakPolarHBondContact O-CB 3.23Å; D1090-N1094 PolarHBondContact O-N 2.8Å; D1090-N1094 PolarHBondContact O-ND2 3.16Å
1091	L	81.3	Confident	79.2	Confident	1 Å²	1	66 Å²	66	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-49.5	-58.3	-178	179	68	0	0	0	112.3	L406 I1087 D1088 R1093 N1094 I1095 M1186	L406-L1091 HydrophobicContact CD1-CD1 4.02Å; I1087-L1091 HydrophobicContact CG2-CD2 4.13Å; D1088-L1091 HydrophobicContact CB-CB 4.15Å; D1088-L1091 WeakPolarHBondContact O-CB 3.33Å; D1088-L1091 PolarHBondContact O-N 2.91Å; D1088-L1091 PolarHBondContact OD2-N 3.19Å; L1091-R1093 VanDerWaalsContact C-N 3.29Å; L1091-R1093 PolarHBondContact O-N 3.36Å; L1091-N1094 PolarHBondContact O-N 3.36Å; L1091-I1095 HydrophobicContact CD1-CD1 4.25Å; L1091-I1095 HydrophobicContact CG-CD1 4.07Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.42Å; L1091-I1095 PolarHBondContact O-N 2.85Å; L1091-M1186 HydrophobicContact CD1-CG 4.38Å; L1091-M1186 HydrophobicContact CD2-CG 4.38Å; L1091-M1186 HydrophobicContact CD2-SD 3.87Å
1092	F	79.4	Confident	78.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-34.1	-176.3	-58	-77.4	0	0	0	111.8	I1087 D1090 K1096 L1110 M1139 I1142 H1143 I1146 L1189	I1087-F1092 HydrophobicContact CG2-CE2 4.39Å; D1090-F1092 PolarHBondContact O-N 3.32Å; F1092-K1096 PolarHBondContact O-N 2.86Å; F1092-L1110 HydrophobicContact CD1-CD2 3.76Å; F1092-L1110 HydrophobicContact CE1-CD2 3.46Å; F1092-L1110 VanDerWaalsContact CE1-CD2 3.46Å; F1092-M1139 HydrophobicContact CB-CE 3.97Å; F1092-M1139 WeakPolarHBondContact CB-O 3.14Å; F1092-M1139 HydrophobicContact CD1-CE 4.5Å; F1092-M1139 VanDerWaalsContact O-CE 3.3Å; F1092-M1139 WeakPolarHBondContact O-CE 3.47Å; F1092-I1142 HydrophobicContact CD1-CB 4.45Å; F1092-I1142 HydrophobicContact CD1-CD1 4.18Å; F1092-I1142 HydrophobicContact CD1-CG2 3.97Å; F1092-I1142 HydrophobicContact CD2-CB 4.22Å; F1092-I1142 HydrophobicContact CD2-CG2 3.9Å; F1092-I1142 HydrophobicContact CE1-CG2 3.7Å; F1092-I1142 HydrophobicContact CE2-CB 4.43Å; F1092-I1142 HydrophobicContact CE2-CG2 3.63Å; F1092-I1142 HydrophobicContact CG-CB 4.24Å; F1092-I1142 HydrophobicContact CG-CG2 4.06Å; F1092-I1142 HydrophobicContact CZ-CG2 3.53Å; F1092-H1143 HydrophobicContact CD2-CB 4.28Å; F1092-H1143 HydrophobicContact CE2-CB 4.41Å; F1092-I1146 HydrophobicContact CE2-CD1 3.86Å; F1092-I1146 HydrophobicContact CZ-CD1 3.71Å; F1092-L1189 HydrophobicContact CE1-CD2 3.91Å; F1092-L1189 HydrophobicContact CZ-CD1 4.1Å; F1092-L1189 HydrophobicContact CZ-CD2 3.78Å
1093	R	76.2	Confident	78.8	Confident	110 Å²	110	63.4 Å²	63.4	42%	0.415	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-42.7	175	-167.9	-173.4	-61.8	137.8	10.2	110.8	D1090 L1091 K1096 R1097	D1090-R1093 WeakPolarHBondContact O-CB 3.29Å; D1090-R1093 PolarHBondContact O-N 3.41Å; D1090-R1093 VanDerWaalsContact O-N 3.12Å; D1090-R1093 IonicContact OD1-CZ 2.7Å; D1090-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1090-R1093 IonicContact OD1-NH1 3.82Å; D1090-R1093 PolarHBondContact OD1-NH1 2.91Å; D1090-R1093 IonicContact OD1-NH2 3.12Å; D1090-R1093 PolarHBondContact OD1-NH2 3.26Å; D1090-R1093 IonicContact OD2-NH1 3.43Å; L1091-R1093 VanDerWaalsContact C-N 3.29Å; L1091-R1093 PolarHBondContact O-N 3.36Å; R1093-K1096 PolarHBondContact O-N 3.28Å; R1093-R1097 WeakPolarHBondContact O-CB 3.45Å; R1093-R1097 PolarHBondContact O-N 3.3Å
1094	N	77.9	Confident	78.7	Confident	15 Å²	15	68.1 Å²	68.1	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-69.5	-41.5	-178.4	-71.1	-23.8	0	0	0	112	L406 D1090 L1091 K1096 R1097 Y1098	L406-N1094 HydrophobicContact CD2-CB 3.76Å; D1090-N1094 WeakPolarHBondContact O-CB 3.23Å; D1090-N1094 PolarHBondContact O-N 2.8Å; D1090-N1094 PolarHBondContact O-ND2 3.16Å; L1091-N1094 PolarHBondContact O-N 3.36Å; N1094-K1096 PolarHBondContact O-N 3.23Å; N1094-R1097 PolarHBondContact O-N 2.82Å; N1094-Y1098 HydrophobicContact CB-CD2 4.04Å; N1094-Y1098 HydrophobicContact CB-CE2 4.21Å; N1094-Y1098 WeakPolarHBondContact O-CD2 3.44Å; N1094-Y1098 PolarHBondContact O-N 3.49Å
1095	I	74.9	Confident	78.8	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-52.2	-46.5	174.3	-71.2	168.1	0	0	0	110.6	L1091 E1099 I1100 L1102 L1110 M1186	L1091-I1095 HydrophobicContact CD1-CD1 4.25Å; L1091-I1095 HydrophobicContact CG-CD1 4.07Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.42Å; L1091-I1095 PolarHBondContact O-N 2.85Å; I1095-E1099 PolarHBondContact O-N 3.24Å; I1095-I1100 HydrophobicContact CG1-CD1 4.48Å; I1095-I1100 PolarHBondContact O-N 3.47Å; I1095-L1102 HydrophobicContact CD1-CD2 4.47Å; I1095-L1102 HydrophobicContact CG2-CD1 3.93Å; I1095-L1102 HydrophobicContact CG2-CG 4.41Å; I1095-L1110 HydrophobicContact CD1-CD1 4.42Å; I1095-M1186 HydrophobicContact CD1-SD 4.37Å
1096	K	73.5	Confident	78.8	Confident	47 Å²	47	63.4 Å²	63.4	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-75.9	-47.4	179.7	-168.9	176.4	178.1	-169.6	0	112.5	F1092 R1093 N1094 Y1098 E1099 L1134 D1136 M1139	F1092-K1096 PolarHBondContact O-N 2.86Å; R1093-K1096 PolarHBondContact O-N 3.28Å; N1094-K1096 PolarHBondContact O-N 3.23Å; K1096-Y1098 VanDerWaalsContact C-N 3.3Å; K1096-Y1098 PolarHBondContact O-N 3.41Å; K1096-E1099 PolarHBondContact O-N 2.77Å; K1096-L1134 WeakPolarHBondContact CE-O 3.47Å; K1096-L1134 PolarHBondContact NZ-O 3.24Å; K1096-D1136 WeakPolarHBondContact CD-OD1 3.21Å; K1096-D1136 VanDerWaalsContact CE-OD1 3.28Å; K1096-D1136 WeakPolarHBondContact CE-OD1 3.34Å; K1096-D1136 IonicContact NZ-OD1 2.66Å; K1096-D1136 PolarHBondContact NZ-OD1 3.5Å; K1096-M1139 HydrophobicContact CD-CG 4.08Å
1097	R	74.1	Confident	78.8	Confident	182 Å²	182	60.3 Å²	60.3	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-35.9	-174.3	-172.8	177.1	-171.2	172.9	2.8	113.1	R1093 N1094	R1093-R1097 WeakPolarHBondContact O-CB 3.45Å; R1093-R1097 PolarHBondContact O-N 3.3Å; N1094-R1097 PolarHBondContact O-N 2.82Å
1098	Y	75.1	Confident	78.8	Confident	144 Å²	144	63.3 Å²	63.3	57%	0.565	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	7.3	-179.7	-59.3	-68	0	0	0	113.2	N1094 K1096 I1100	N1094-Y1098 HydrophobicContact CB-CD2 4.04Å; N1094-Y1098 HydrophobicContact CB-CE2 4.21Å; N1094-Y1098 WeakPolarHBondContact O-CD2 3.44Å; N1094-Y1098 PolarHBondContact O-N 3.49Å; K1096-Y1098 VanDerWaalsContact C-N 3.3Å; K1096-Y1098 PolarHBondContact O-N 3.41Å; Y1098-I1100 PolarHBondContact O-N 2.86Å
1099	E	69.6	Low	78.9	Confident	158 Å²	158	61.8 Å²	61.8	74%	0.738	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	47.4	-177.5	-63	-173.7	160.4	0	0	112.7	I1095 K1096 R1101	I1095-E1099 PolarHBondContact O-N 3.24Å; K1096-E1099 PolarHBondContact O-N 2.77Å; E1099-R1101 PolarHBondContact O-N 3Å
1100	I	72.1	Confident	78.9	Confident	25 Å²	25	55.6 Å²	55.6	13%	0.128	24%	0.243	C	C	.	.			trans	-62.7	128.5	-174.6	-56.1	-178.6	0	0	0	109.2	T403 L406 I1095 Y1098 L1102 Q1128	T403-I1100 HydrophobicContact CG2-CG2 4.32Å; L406-I1100 HydrophobicContact CD1-CD1 3.63Å; L406-I1100 HydrophobicContact CG-CD1 4.16Å; I1095-I1100 HydrophobicContact CG1-CD1 4.48Å; I1095-I1100 PolarHBondContact O-N 3.47Å; Y1098-I1100 PolarHBondContact O-N 2.86Å; I1100-L1102 HydrophobicContact CG2-CD2 4.48Å; I1100-L1102 PolarHBondContact O-N 2.91Å; I1100-Q1128 PolarHBondContact O-NE2 2.93Å
1101	R	75.4	Confident	79	Confident	164 Å²	164	53.5 Å²	53.5	62%	0.619	23%	0.231	S	C	*	.			trans	-74.2	114.2	173.4	-80	-172.4	179.2	-172.8	-2.5	109.7	Q400 T403 E1099	Q400-R1101 VanDerWaalsContact NE2-NH1 3.11Å; T403-R1101 WeakPolarHBondContact CG2-O 3.45Å; E1099-R1101 PolarHBondContact O-N 3Å
1102	L	79.9	Confident	79.1	Confident	20 Å²	20	53.5 Å²	53.5	11%	0.105	23%	0.23	C	C	.	.			trans	-92.9	147.8	177.6	-62.2	174.6	0	0	0	110.3	I1095 I1100 E1106 I1107 L1110 I1131	I1095-L1102 HydrophobicContact CD1-CD2 4.47Å; I1095-L1102 HydrophobicContact CG2-CD1 3.93Å; I1095-L1102 HydrophobicContact CG2-CG 4.41Å; I1100-L1102 HydrophobicContact CG2-CD2 4.48Å; I1100-L1102 PolarHBondContact O-N 2.91Å; L1102-E1106 VanDerWaalsContact CA-OE2 3.28Å; L1102-E1106 WeakPolarHBondContact CA-OE2 3.18Å; L1102-E1106 HydrophobicContact CB-CB 3.93Å; L1102-E1106 HydrophobicContact CD2-CB 4.13Å; L1102-E1106 HydrophobicContact CG-CB 4.43Å; L1102-I1107 HydrophobicContact CB-CG1 3.86Å; L1102-I1107 HydrophobicContact CD1-CG1 4.49Å; L1102-L1110 HydrophobicContact CD1-CD1 3.32Å; L1102-I1131 HydrophobicContact CD1-CD1 4.17Å
1103	C	82.5	Confident	79.3	Confident	34 Å²	34	53.4 Å²	53.4	23%	0.23	23%	0.23	C	C	.	.			trans	-74.6	164.7	168.2	74.4	0	0	0	0	110.9	S1105 E1106 I1107	C1103-S1105 VanDerWaalsContact C-N 3.26Å; C1103-S1105 PolarHBondContact O-N 3.29Å; C1103-E1106 PolarHBondContact N-OE2 3.25Å; C1103-E1106 WeakPolarHBondContact O-CB 3.48Å; C1103-E1106 PolarHBondContact O-N 2.83Å; C1103-E1106 VanDerWaalsContact O-N 3.11Å; C1103-E1106 VanDerWaalsContact SG-CG 3.53Å; C1103-E1106 PolarHBondContact SG-OE2 3.01Å; C1103-E1106 VanDerWaalsContact SG-OE2 3.37Å; C1103-I1107 WeakPolarHBondContact O-CG1 3.45Å; C1103-I1107 PolarHBondContact O-N 3.2Å
1104	N	82.7	Confident	79.4	Confident	110 Å²	110	48.6 Å²	48.6	59%	0.588	21%	0.212	S	C	*	.	H	α-helix	trans	-55.6	-41.5	-178.7	-69.9	-20.2	0	0	0	112.5	E1106 I1107 Y1108	N1104-E1106 PolarHBondContact O-N 3.11Å; N1104-I1107 PolarHBondContact O-N 3.27Å; N1104-Y1108 HydrophobicContact CB-CD2 4.45Å; N1104-Y1108 HydrophobicContact CB-CE2 4.07Å; N1104-Y1108 WeakPolarHBondContact O-CD2 3.44Å; N1104-Y1108 PolarHBondContact O-N 3.44Å
1105	S	85.2	Confident	79.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-36.9	179.6	-67.5	0	0	0	0	112.8	C1103 Y1108 L1109 S1174 Q1177	C1103-S1105 VanDerWaalsContact C-N 3.26Å; C1103-S1105 PolarHBondContact O-N 3.29Å; S1105-Y1108 PolarHBondContact O-N 3.46Å; S1105-L1109 WeakPolarHBondContact O-CB 3.35Å; S1105-L1109 PolarHBondContact O-N 3.33Å; S1105-S1174 PolarHBondContact OG-N 3.38Å; S1105-S1174 VanDerWaalsContact OG-N 3.13Å; S1105-Q1177 PolarHBondContact OG-OE1 3.41Å
1106	E	84.2	Confident	79.5	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-39.8	174.8	-73.3	168.6	150.5	0	0	112.1	L1102 C1103 N1104 L1109 L1110 L1178 S1182 M1186	L1102-E1106 VanDerWaalsContact CA-OE2 3.28Å; L1102-E1106 WeakPolarHBondContact CA-OE2 3.18Å; L1102-E1106 HydrophobicContact CB-CB 3.93Å; L1102-E1106 HydrophobicContact CD2-CB 4.13Å; L1102-E1106 HydrophobicContact CG-CB 4.43Å; C1103-E1106 PolarHBondContact N-OE2 3.25Å; C1103-E1106 WeakPolarHBondContact O-CB 3.48Å; C1103-E1106 PolarHBondContact O-N 2.83Å; C1103-E1106 VanDerWaalsContact O-N 3.11Å; C1103-E1106 VanDerWaalsContact SG-CG 3.53Å; C1103-E1106 PolarHBondContact SG-OE2 3.01Å; C1103-E1106 VanDerWaalsContact SG-OE2 3.37Å; N1104-E1106 PolarHBondContact O-N 3.11Å; E1106-L1109 PolarHBondContact O-N 3.28Å; E1106-L1110 WeakPolarHBondContact O-CG 3.46Å; E1106-L1110 PolarHBondContact O-N 3.49Å; E1106-L1178 HydrophobicContact CG-CD2 3.7Å; E1106-S1182 WeakPolarHBondContact CG-OG 3.42Å; E1106-S1182 VanDerWaalsContact OE1-CA 3.29Å; E1106-S1182 WeakPolarHBondContact OE1-CA 3.5Å; E1106-S1182 WeakPolarHBondContact OE1-CB 3.46Å; E1106-S1182 PolarHBondContact OE1-OG 3.12Å; E1106-M1186 HydrophobicContact CB-CE 3.64Å; E1106-M1186 HydrophobicContact CG-CE 3.65Å
1107	I	82.7	Confident	79.7	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-46.3	174.7	-64.7	170.4	0	0	0	110.1	L1102 C1103 N1104 L1109 L1110 W1111 Q1128 I1131	L1102-I1107 HydrophobicContact CB-CG1 3.86Å; L1102-I1107 HydrophobicContact CD1-CG1 4.49Å; C1103-I1107 WeakPolarHBondContact O-CG1 3.45Å; C1103-I1107 PolarHBondContact O-N 3.2Å; N1104-I1107 PolarHBondContact O-N 3.27Å; I1107-L1109 VanDerWaalsContact C-N 3.34Å; I1107-L1109 PolarHBondContact O-N 3.24Å; I1107-L1110 PolarHBondContact O-N 2.95Å; I1107-W1111 WeakPolarHBondContact O-CB 3.45Å; I1107-W1111 PolarHBondContact O-N 3.04Å; I1107-Q1128 HydrophobicContact CD1-CB 4.19Å; I1107-I1131 HydrophobicContact CB-CD1 4.37Å; I1107-I1131 HydrophobicContact CG1-CD1 3.87Å; I1107-I1131 HydrophobicContact CG2-CD1 4.08Å
1108	Y	84.2	Confident	79.3	Confident	69 Å²	69	41.9 Å²	41.9	27%	0.271	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-37.8	176.7	-68.1	-52.6	0	0	0	112.3	N1104 S1105 W1111 A1112 I1169 K1172	N1104-Y1108 HydrophobicContact CB-CD2 4.45Å; N1104-Y1108 HydrophobicContact CB-CE2 4.07Å; N1104-Y1108 WeakPolarHBondContact O-CD2 3.44Å; N1104-Y1108 PolarHBondContact O-N 3.44Å; S1105-Y1108 PolarHBondContact O-N 3.46Å; Y1108-W1111 HydrophobicContact CD1-CE3 4.01Å; Y1108-W1111 HydrophobicContact CD1-CZ3 4.36Å; Y1108-W1111 HydrophobicContact CE1-CE3 4.4Å; Y1108-W1111 HydrophobicContact CE1-CZ3 4.34Å; Y1108-W1111 PolarHBondContact O-N 3.39Å; Y1108-A1112 WeakPolarHBondContact O-CB 3.16Å; Y1108-A1112 PolarHBondContact O-N 2.82Å; Y1108-I1169 HydrophobicContact CD1-CG2 4.26Å; Y1108-I1169 WeakPolarHBondContact O-CG2 3.43Å; Y1108-K1172 HydrophobicContact CD1-CB 4.46Å; Y1108-K1172 HydrophobicContact CD2-CB 3.94Å; Y1108-K1172 HydrophobicContact CE1-CD 4.15Å; Y1108-K1172 HydrophobicContact CE2-CB 4.05Å; Y1108-K1172 HydrophobicContact CG-CB 4.19Å
1109	L	85.4	Confident	78.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-50.5	174.7	176.6	61.2	0	0	0	111.7	S1105 E1106 I1107 W1111 A1112 V1113 I1173 L1178 M1186 L1189 Y1190 M1193	S1105-L1109 WeakPolarHBondContact O-CB 3.35Å; S1105-L1109 PolarHBondContact O-N 3.33Å; E1106-L1109 PolarHBondContact O-N 3.28Å; I1107-L1109 VanDerWaalsContact C-N 3.34Å; I1107-L1109 PolarHBondContact O-N 3.24Å; L1109-W1111 PolarHBondContact O-N 3.37Å; L1109-A1112 PolarHBondContact O-N 3.38Å; L1109-V1113 HydrophobicContact CD1-CG2 4.19Å; L1109-V1113 VanDerWaalsContact O-CG2 3.29Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.09Å; L1109-V1113 PolarHBondContact O-N 3.11Å; L1109-I1173 HydrophobicContact CB-CD1 4.16Å; L1109-I1173 HydrophobicContact CD1-CD1 4.26Å; L1109-L1178 HydrophobicContact CD2-CD1 4.37Å; L1109-M1186 HydrophobicContact CD2-CE 3.98Å; L1109-M1186 WeakPolarHBondContact CD2-O 2.84Å; L1109-L1189 HydrophobicContact CD2-CB 4.26Å; L1109-L1189 HydrophobicContact CD2-CD2 4.12Å; L1109-L1189 HydrophobicContact CD2-CG 4.19Å; L1109-L1189 HydrophobicContact CG-CD2 4.21Å; L1109-L1189 HydrophobicContact CG-CG 4.34Å; L1109-Y1190 HydrophobicContact CD1-CD2 4.24Å; L1109-M1193 HydrophobicContact CD1-CB 4.03Å; L1109-M1193 HydrophobicContact CD1-CG 4.28Å
1110	L	81.9	Confident	77.6	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-41	175.6	-73.7	177.2	0	0	0	111.3	F1092 I1095 L1102 E1106 I1107 V1113 I1114 L1126 M1186 L1189	F1092-L1110 HydrophobicContact CD1-CD2 3.76Å; F1092-L1110 HydrophobicContact CE1-CD2 3.46Å; F1092-L1110 VanDerWaalsContact CE1-CD2 3.46Å; I1095-L1110 HydrophobicContact CD1-CD1 4.42Å; L1102-L1110 HydrophobicContact CD1-CD1 3.32Å; E1106-L1110 WeakPolarHBondContact O-CG 3.46Å; E1106-L1110 PolarHBondContact O-N 3.49Å; I1107-L1110 PolarHBondContact O-N 2.95Å; L1110-V1113 PolarHBondContact O-N 3.1Å; L1110-I1114 WeakPolarHBondContact O-CB 3.27Å; L1110-I1114 VanDerWaalsContact O-CG1 3.22Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.29Å; L1110-I1114 PolarHBondContact O-N 3.15Å; L1110-L1126 HydrophobicContact CB-CD2 4.4Å; L1110-M1186 HydrophobicContact CG-CE 4.3Å; L1110-L1189 HydrophobicContact CD2-CD2 4.38Å
1111	W	81.5	Confident	76.6	Confident	17 Å²	17	43.9 Å²	43.9	6%	0.064	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-44.6	177.5	-170.3	16.7	0	0	0	112.2	I1107 Y1108 L1109 V1113 I1114 L1115 L1126 I1169	I1107-W1111 WeakPolarHBondContact O-CB 3.45Å; I1107-W1111 PolarHBondContact O-N 3.04Å; Y1108-W1111 HydrophobicContact CD1-CE3 4.01Å; Y1108-W1111 HydrophobicContact CD1-CZ3 4.36Å; Y1108-W1111 HydrophobicContact CE1-CE3 4.4Å; Y1108-W1111 HydrophobicContact CE1-CZ3 4.34Å; Y1108-W1111 PolarHBondContact O-N 3.39Å; L1109-W1111 PolarHBondContact O-N 3.37Å; W1111-V1113 VanDerWaalsContact C-N 3.34Å; W1111-V1113 PolarHBondContact O-N 2.84Å; W1111-I1114 PolarHBondContact O-N 2.52Å; W1111-L1115 HydrophobicContact CD2-CD1 4.45Å; W1111-L1115 HydrophobicContact CG-CD1 4.25Å; W1111-L1115 WeakPolarHBondContact O-CB 3.47Å; W1111-L1115 WeakPolarHBondContact O-CG 3.47Å; W1111-L1115 PolarHBondContact O-N 3.04Å; W1111-L1126 HydrophobicContact CB-CB 3.74Å; W1111-L1126 HydrophobicContact CB-CD2 4.06Å; W1111-L1126 HydrophobicContact CB-CG 4.36Å; W1111-L1126 HydrophobicContact CD2-CB 3.87Å; W1111-L1126 HydrophobicContact CE3-CB 4.38Å; W1111-L1126 HydrophobicContact CG-CB 3.57Å; W1111-L1126 HydrophobicContact CG-CD1 4.39Å; W1111-L1126 HydrophobicContact CG-CG 4.4Å; W1111-I1169 HydrophobicContact CD2-CD1 3.57Å; W1111-I1169 HydrophobicContact CD2-CG1 4.26Å; W1111-I1169 HydrophobicContact CD2-CG2 4.42Å; W1111-I1169 HydrophobicContact CE3-CD1 3.7Å; W1111-I1169 HydrophobicContact CE3-CG1 3.88Å; W1111-I1169 HydrophobicContact CE3-CG2 4.07Å; W1111-I1169 HydrophobicContact CG-CD1 4.22Å; W1111-I1169 HydrophobicContact CH2-CD1 3.81Å; W1111-I1169 HydrophobicContact CH2-CG1 4.15Å; W1111-I1169 HydrophobicContact CZ2-CD1 3.68Å; W1111-I1169 HydrophobicContact CZ3-CD1 3.82Å; W1111-I1169 HydrophobicContact CZ3-CG1 3.82Å
1112	A	83.4	Confident	75.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-44.3	175.4	0	0	0	0	0	111.3	Y1108 L1109 L1115 L1116 L1166 I1169 I1173 M1193	Y1108-A1112 WeakPolarHBondContact O-CB 3.16Å; Y1108-A1112 PolarHBondContact O-N 2.82Å; L1109-A1112 PolarHBondContact O-N 3.38Å; A1112-L1115 PolarHBondContact O-N 2.78Å; A1112-L1116 VanDerWaalsContact O-CB 3.31Å; A1112-L1116 WeakPolarHBondContact O-CB 3.49Å; A1112-L1116 PolarHBondContact O-N 3.38Å; A1112-L1166 HydrophobicContact CB-CD1 3.89Å; A1112-L1166 WeakPolarHBondContact O-CD1 3.31Å; A1112-I1169 HydrophobicContact CB-CG2 4.15Å; A1112-I1173 HydrophobicContact CB-CD1 4.37Å; A1112-M1193 HydrophobicContact CB-CE 3.91Å; A1112-M1193 HydrophobicContact CB-SD 4.39Å; A1112-M1193 WeakPolarHBondContact O-CE 3.23Å
1113	V	83.3	Confident	74	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-46.1	177.5	173.2	0	0	0	0	111.1	L1109 L1110 W1111 L1115 L1116 L1117 I1142 I1146 L1189 M1193	L1109-V1113 HydrophobicContact CD1-CG2 4.19Å; L1109-V1113 VanDerWaalsContact O-CG2 3.29Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.09Å; L1109-V1113 PolarHBondContact O-N 3.11Å; L1110-V1113 PolarHBondContact O-N 3.1Å; W1111-V1113 VanDerWaalsContact C-N 3.34Å; W1111-V1113 PolarHBondContact O-N 2.84Å; V1113-L1115 PolarHBondContact O-N 3.32Å; V1113-L1116 WeakPolarHBondContact O-CB 3.21Å; V1113-L1116 PolarHBondContact O-N 3.36Å; V1113-L1117 HydrophobicContact CG1-CD1 3.56Å; V1113-L1117 HydrophobicContact CG1-CG 4.31Å; V1113-L1117 WeakPolarHBondContact O-CB 3.49Å; V1113-L1117 VanDerWaalsContact O-CG 3.28Å; V1113-L1117 WeakPolarHBondContact O-CG 3.49Å; V1113-L1117 PolarHBondContact O-N 2.77Å; V1113-I1142 HydrophobicContact CG1-CG2 4.28Å; V1113-I1146 HydrophobicContact CG1-CD1 4.12Å; V1113-I1146 HydrophobicContact CG1-CG1 4.4Å; V1113-L1189 HydrophobicContact CG1-CD1 4.37Å; V1113-L1189 HydrophobicContact CG2-CD1 3.88Å; V1113-L1189 HydrophobicContact CG2-CD2 4.14Å; V1113-L1189 HydrophobicContact CG2-CG 3.95Å; V1113-M1193 HydrophobicContact CB-CE 3.96Å; V1113-M1193 HydrophobicContact CG2-CE 3.41Å; V1113-M1193 VanDerWaalsContact CG2-CE 3.41Å; V1113-M1193 VanDerWaalsContact N-CE 3.26Å
1114	I	78.6	Confident	72.9	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-43.6	177.4	-69.9	166.4	0	0	0	110.6	L1110 W1111 L1116 L1117 N1118 L1126 L1134 I1142	L1110-I1114 WeakPolarHBondContact O-CB 3.27Å; L1110-I1114 VanDerWaalsContact O-CG1 3.22Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.29Å; L1110-I1114 PolarHBondContact O-N 3.15Å; W1111-I1114 PolarHBondContact O-N 2.52Å; I1114-L1116 VanDerWaalsContact C-N 3.27Å; I1114-L1116 PolarHBondContact O-N 2.74Å; I1114-L1117 PolarHBondContact O-N 3.42Å; I1114-N1118 HydrophobicContact CG2-CB 4.35Å; I1114-N1118 WeakPolarHBondContact O-CA 3.23Å; I1114-N1118 VanDerWaalsContact O-CB 3.3Å; I1114-N1118 WeakPolarHBondContact O-CB 3.35Å; I1114-N1118 PolarHBondContact O-N 3.4Å; I1114-L1126 HydrophobicContact CD1-CD1 4.27Å; I1114-L1126 HydrophobicContact CD1-CD2 4.19Å; I1114-L1134 HydrophobicContact CD1-CD1 3.96Å; I1114-I1142 HydrophobicContact CD1-CD1 4.34Å; I1114-I1142 HydrophobicContact CG1-CD1 4.03Å
1115	L	76.7	Confident	72	Confident	30 Å²	30	48.6 Å²	48.6	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-34.1	176.2	-76.4	170.2	0	0	0	112.6	W1111 A1112 V1113 L1166 I1169	W1111-L1115 HydrophobicContact CD2-CD1 4.45Å; W1111-L1115 HydrophobicContact CG-CD1 4.25Å; W1111-L1115 WeakPolarHBondContact O-CB 3.47Å; W1111-L1115 WeakPolarHBondContact O-CG 3.47Å; W1111-L1115 PolarHBondContact O-N 3.04Å; A1112-L1115 PolarHBondContact O-N 2.78Å; V1113-L1115 PolarHBondContact O-N 3.32Å; L1115-L1166 HydrophobicContact CB-CD1 4.24Å; L1115-I1169 HydrophobicContact CD1-CD1 3.21Å
1116	L	78.3	Confident	71	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-42.3	177.5	-167.9	78.5	0	0	0	111.8	A1112 V1113 I1114 Y1149 L1166 W1192 M1193 C1196 W1200	A1112-L1116 VanDerWaalsContact O-CB 3.31Å; A1112-L1116 WeakPolarHBondContact O-CB 3.49Å; A1112-L1116 PolarHBondContact O-N 3.38Å; V1113-L1116 WeakPolarHBondContact O-CB 3.21Å; V1113-L1116 PolarHBondContact O-N 3.36Å; I1114-L1116 VanDerWaalsContact C-N 3.27Å; I1114-L1116 PolarHBondContact O-N 2.74Å; L1116-Y1149 WeakPolarHBondContact CD1-OH 3.3Å; L1116-Y1149 HydrophobicContact CD2-CE1 3.88Å; L1116-Y1149 HydrophobicContact CD2-CE2 4.49Å; L1116-Y1149 HydrophobicContact CG-CE1 4.34Å; L1116-Y1149 HydrophobicContact CG-CE2 4.18Å; L1116-L1166 HydrophobicContact CD1-CD2 3.87Å; L1116-W1192 HydrophobicContact CD2-CH2 3.64Å; L1116-W1192 HydrophobicContact CD2-CZ3 3.58Å; L1116-M1193 HydrophobicContact CB-CE 4.03Å; L1116-M1193 HydrophobicContact CD2-CE 3.79Å; L1116-M1193 HydrophobicContact CD2-SD 4.08Å; L1116-M1193 HydrophobicContact CG-CE 4.46Å; L1116-C1196 HydrophobicContact CD2-CB 4.09Å; L1116-W1200 HydrophobicContact CD1-CH2 3.21Å; L1116-W1200 HydrophobicContact CD1-CZ2 3.51Å; L1116-W1200 HydrophobicContact CD1-CZ3 3.96Å
1117	L	76.6	Confident	70.2	Confident	26 Å²	26	52.3 Å²	52.3	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-88	-39.9	-174.2	-62.3	170.3	0	0	0	113.3	V1113 I1114 I1142 I1146 Y1149 W1192	V1113-L1117 HydrophobicContact CG1-CD1 3.56Å; V1113-L1117 HydrophobicContact CG1-CG 4.31Å; V1113-L1117 WeakPolarHBondContact O-CB 3.49Å; V1113-L1117 VanDerWaalsContact O-CG 3.28Å; V1113-L1117 WeakPolarHBondContact O-CG 3.49Å; V1113-L1117 PolarHBondContact O-N 2.77Å; I1114-L1117 PolarHBondContact O-N 3.42Å; L1117-I1142 HydrophobicContact CD1-CG2 4Å; L1117-I1146 HydrophobicContact CD1-CD1 4.38Å; L1117-I1146 HydrophobicContact CD1-CG1 3.58Å; L1117-I1146 HydrophobicContact CD2-CG1 4.41Å; L1117-Y1149 HydrophobicContact CD2-CD2 3.72Å; L1117-Y1149 HydrophobicContact CD2-CE2 4.47Å; L1117-Y1149 HydrophobicContact CD2-CG 3.94Å; L1117-W1192 HydrophobicContact CD2-CH2 4.16Å
1118	N	66.7	Low	69.3	Low	42 Å²	42	55 Å²	55	23%	0.225	29%	0.289	C	S	.	.			trans	-99.8	115.7	-172.9	-82.3	-35.9	0	0	0	112.6	I1114 S1120	I1114-N1118 HydrophobicContact CG2-CB 4.35Å; I1114-N1118 WeakPolarHBondContact O-CA 3.23Å; I1114-N1118 VanDerWaalsContact O-CB 3.3Å; I1114-N1118 WeakPolarHBondContact O-CB 3.35Å; I1114-N1118 PolarHBondContact O-N 3.4Å; N1118-S1120 PolarHBondContact O-N 3.44Å
1119	R	56.2	Low	68.4	Low	186 Å²	186	58.3 Å²	58.3	70%	0.702	31%	0.307	S	S	*	.	S	Bend	trans	-70.7	-25.9	-179.8	-56.2	179.8	-168.1	177	4.2	114.3
1120	S	52.3	Low	67.7	Low	108 Å²	108	60.2 Å²	60.2	76%	0.755	32%	0.317	S	S	*	.	S	Bend	trans	-116.1	-12.3	-160.8	57.9	0	0	0	0	116.4	N1118 G1122	N1118-S1120 PolarHBondContact O-N 3.44Å; S1120-G1122 VanDerWaalsContact C-N 3.29Å; S1120-G1122 PolarHBondContact O-N 2.85Å
1121	Q	51.6	Low	67	Low	75 Å²	75	60.5 Å²	60.5	35%	0.35	32%	0.318	S	S	.	.			trans	-80.8	86.3	171	-79.8	-171.2	-17.2	0	0	108.8
1122	G	50.5	Low	66.2	Low	48 Å²	48	62.9 Å²	62.9	50%	0.495	34%	0.338	S	S	.	.			trans	-65	147.5	177.4	0	0	0	0	0	112.8	S1120 E1124	S1120-G1122 VanDerWaalsContact C-N 3.29Å; S1120-G1122 PolarHBondContact O-N 2.85Å; G1122-E1124 PolarHBondContact O-N 3.32Å
1123	D	50.4	Low	65.5	Low	163 Å²	163	69.9 Å²	69.9	87%	0.872	37%	0.368	S	S	*	.	S	Bend	trans	39.7	-5.1	154.6	-78.9	-19	0	0	0	122.2	S1125	D1123-S1125 PolarHBondContact O-N 2.88Å
1124	E	58.9	Low	64.8	Low	152 Å²	152	70.5 Å²	70.5	71%	0.71	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-75.8	122.4	178.2	-69.1	-168.8	176.9	0	0	110	G1122 L1126	G1122-E1124 PolarHBondContact O-N 3.32Å; E1124-L1126 PolarHBondContact O-N 2.81Å
1125	S	63.7	Low	64.3	Low	65 Å²	65	75.5 Å²	75.5	46%	0.455	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.9	121.5	172.6	56.7	0	0	0	0	110.3	D1123 N1127 N1130	D1123-S1125 PolarHBondContact O-N 2.88Å; S1125-N1127 PolarHBondContact O-N 2.85Å; S1125-N1130 PolarHBondContact O-ND2 2.84Å
1126	L	63.9	Low	63.9	Low	22 Å²	22	79.4 Å²	79.4	12%	0.115	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.9	127.2	171.4	-127.1	91.3	0	0	0	109.2	L1110 W1111 I1114 E1124 I1131	L1110-L1126 HydrophobicContact CB-CD2 4.4Å; W1111-L1126 HydrophobicContact CB-CB 3.74Å; W1111-L1126 HydrophobicContact CB-CD2 4.06Å; W1111-L1126 HydrophobicContact CB-CG 4.36Å; W1111-L1126 HydrophobicContact CD2-CB 3.87Å; W1111-L1126 HydrophobicContact CE3-CB 4.38Å; W1111-L1126 HydrophobicContact CG-CB 3.57Å; W1111-L1126 HydrophobicContact CG-CD1 4.39Å; W1111-L1126 HydrophobicContact CG-CG 4.4Å; I1114-L1126 HydrophobicContact CD1-CD1 4.27Å; I1114-L1126 HydrophobicContact CD1-CD2 4.19Å; E1124-L1126 PolarHBondContact O-N 2.81Å; L1126-I1131 HydrophobicContact CD2-CD1 4.06Å; L1126-I1131 HydrophobicContact CD2-CG1 3.59Å; L1126-I1131 HydrophobicContact CG-CG1 4.07Å
1127	N	67.2	Low	63.5	Low	60 Å²	60	82.7 Å²	82.7	32%	0.321	44%	0.443	S	S	.	.			trans	-136.6	168.6	170.6	66	13.3	0	0	0	108.8	S1125 E1129 N1130 I1131	S1125-N1127 PolarHBondContact O-N 2.85Å; N1127-E1129 PolarHBondContact O-N 2.94Å; N1127-E1129 VanDerWaalsContact O-N 3.11Å; N1127-E1129 PolarHBondContact OD1-N 3.34Å; N1127-N1130 PolarHBondContact O-N 3.17Å; N1127-N1130 WeakPolarHBondContact OD1-CB 3.19Å; N1127-N1130 PolarHBondContact OD1-N 2.81Å; N1127-N1130 PolarHBondContact OD1-ND2 3.35Å; N1127-I1131 WeakPolarHBondContact O-CG1 3.47Å; N1127-I1131 PolarHBondContact O-N 2.95Å
1128	Q	64	Low	63.1	Low	71 Å²	71	82.6 Å²	82.6	33%	0.332	44%	0.443	S	S	.	.	H	α-helix	trans	-54.9	-33.3	-177.7	-168.1	66.9	15.5	0	0	112.9	I1100 I1107	I1100-Q1128 PolarHBondContact O-NE2 2.93Å; I1107-Q1128 HydrophobicContact CD1-CB 4.19Å
1129	E	66.1	Low	63.3	Low	138 Å²	138	80.9 Å²	80.9	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-75.6	-28.6	178.5	-67.9	-176.1	175.7	0	0	114.1	N1127 S1132	N1127-E1129 PolarHBondContact O-N 2.94Å; N1127-E1129 VanDerWaalsContact O-N 3.11Å; N1127-E1129 PolarHBondContact OD1-N 3.34Å; E1129-S1132 PolarHBondContact O-OG 3.49Å
1130	N	69.5	Low	63.9	Low	39 Å²	39	75.1 Å²	75.1	21%	0.209	42%	0.419	C	S	.	.	H	α-helix	trans	-89.5	-23.8	-179.7	-68.9	-16.4	0	0	0	111.7	S1125 N1127 S1132 K1133 L1134	S1125-N1130 PolarHBondContact O-ND2 2.84Å; N1127-N1130 PolarHBondContact O-N 3.17Å; N1127-N1130 WeakPolarHBondContact OD1-CB 3.19Å; N1127-N1130 PolarHBondContact OD1-N 2.81Å; N1127-N1130 PolarHBondContact OD1-ND2 3.35Å; N1130-S1132 VanDerWaalsContact C-N 3.26Å; N1130-S1132 PolarHBondContact O-N 2.89Å; N1130-K1133 WeakPolarHBondContact O-CA 3.1Å; N1130-K1133 WeakPolarHBondContact O-CB 3.39Å; N1130-K1133 PolarHBondContact O-N 2.87Å; N1130-K1133 PolarHBondContact OD1-NZ 3.38Å; N1130-L1134 PolarHBondContact O-N 2.89Å
1131	I	66.7	Low	64.9	Low	9 Å²	9	70.8 Å²	70.8	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-57.9	-41.9	173	-69.9	169.9	0	0	0	110.7	L1102 I1107 L1126 N1127 K1133 L1134	L1102-I1131 HydrophobicContact CD1-CD1 4.17Å; I1107-I1131 HydrophobicContact CB-CD1 4.37Å; I1107-I1131 HydrophobicContact CG1-CD1 3.87Å; I1107-I1131 HydrophobicContact CG2-CD1 4.08Å; L1126-I1131 HydrophobicContact CD2-CD1 4.06Å; L1126-I1131 HydrophobicContact CD2-CG1 3.59Å; L1126-I1131 HydrophobicContact CG-CG1 4.07Å; N1127-I1131 WeakPolarHBondContact O-CG1 3.47Å; N1127-I1131 PolarHBondContact O-N 2.95Å; I1131-K1133 PolarHBondContact O-N 2.94Å; I1131-L1134 WeakPolarHBondContact O-CB 3.42Å; I1131-L1134 PolarHBondContact O-N 3.43Å
1132	S	65.1	Low	66.2	Low	68 Å²	68	67.4 Å²	67.4	48%	0.476	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.3	176.8	60.7	0	0	0	0	113.3	E1129 N1130	E1129-S1132 PolarHBondContact O-OG 3.49Å; N1130-S1132 VanDerWaalsContact C-N 3.26Å; N1130-S1132 PolarHBondContact O-N 2.89Å
1133	K	69.6	Low	67.6	Low	147 Å²	147	66 Å²	66	64%	0.639	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.8	177.8	-61.2	176.8	-167.5	157.1	0	114.2	N1130 I1131 L1135	N1130-K1133 WeakPolarHBondContact O-CA 3.1Å; N1130-K1133 WeakPolarHBondContact O-CB 3.39Å; N1130-K1133 PolarHBondContact O-N 2.87Å; N1130-K1133 PolarHBondContact OD1-NZ 3.38Å; I1131-K1133 PolarHBondContact O-N 2.94Å; K1133-L1135 PolarHBondContact O-N 3.22Å
1134	L	68.6	Low	69	Low	14 Å²	14	64.6 Å²	64.6	7%	0.073	35%	0.345	C	S	.	.	S	Bend	trans	-58.2	137.8	175.3	-81.5	156	0	0	0	110.3	K1096 I1114 N1130 I1131 V1138 M1139	K1096-L1134 WeakPolarHBondContact CE-O 3.47Å; K1096-L1134 PolarHBondContact NZ-O 3.24Å; I1114-L1134 HydrophobicContact CD1-CD1 3.96Å; N1130-L1134 PolarHBondContact O-N 2.89Å; I1131-L1134 WeakPolarHBondContact O-CB 3.42Å; I1131-L1134 PolarHBondContact O-N 3.43Å; L1134-V1138 HydrophobicContact CD2-CG1 4.3Å; L1134-M1139 HydrophobicContact CB-CG 4.28Å; L1134-M1139 HydrophobicContact CB-SD 4.39Å; L1134-M1139 HydrophobicContact CD1-SD 4.03Å
1135	L	68.4	Low	70.1	Confident	113 Å²	113	59.6 Å²	59.6	59%	0.592	33%	0.326	S	S	*	.			trans	-58.8	140.1	176.8	-78.2	154.5	0	0	0	111.1	K1133 S1137 V1138 M1139	K1133-L1135 PolarHBondContact O-N 3.22Å; L1135-S1137 PolarHBondContact O-N 3.27Å; L1135-V1138 HydrophobicContact CB-CG2 4.01Å; L1135-V1138 WeakPolarHBondContact O-CB 3.46Å; L1135-V1138 PolarHBondContact O-N 3.25Å; L1135-M1139 PolarHBondContact O-N 3.25Å
1136	D	68.6	Low	71	Confident	111 Å²	111	56.6 Å²	56.6	59%	0.594	31%	0.305	S	S	*	.	H	α-helix	trans	-55.4	-39.1	176.1	-78.8	-30.8	0	0	0	111.6	K1096 V1138 M1139 T1140	K1096-D1136 WeakPolarHBondContact CD-OD1 3.21Å; K1096-D1136 VanDerWaalsContact CE-OD1 3.28Å; K1096-D1136 WeakPolarHBondContact CE-OD1 3.34Å; K1096-D1136 IonicContact NZ-OD1 2.66Å; K1096-D1136 PolarHBondContact NZ-OD1 3.5Å; D1136-V1138 VanDerWaalsContact C-N 3.25Å; D1136-V1138 PolarHBondContact O-N 2.72Å; D1136-M1139 PolarHBondContact O-N 3.47Å; D1136-T1140 PolarHBondContact O-N 2.99Å; D1136-T1140 PolarHBondContact O-OG1 3.49Å
1137	S	69.3	Low	71.7	Confident	79 Å²	79	59.4 Å²	59.4	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-59.1	-35.2	177.6	62.1	0	0	0	0	113.1	L1135 T1140 G1141	L1135-S1137 PolarHBondContact O-N 3.27Å; S1137-T1140 WeakPolarHBondContact CA-OG1 3.01Å; S1137-T1140 PolarHBondContact O-OG1 3.22Å; S1137-T1140 VanDerWaalsContact O-OG1 3.11Å; S1137-G1141 PolarHBondContact O-N 3.33Å; S1137-G1141 VanDerWaalsContact O-N 3.11Å
1138	V	68.3	Low	72.3	Confident	24 Å²	24	63 Å²	63	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-50.3	177.3	176.5	0	0	0	0	108.9	L1134 L1135 D1136 T1140 G1141 I1142	L1134-V1138 HydrophobicContact CD2-CG1 4.3Å; L1135-V1138 HydrophobicContact CB-CG2 4.01Å; L1135-V1138 WeakPolarHBondContact O-CB 3.46Å; L1135-V1138 PolarHBondContact O-N 3.25Å; D1136-V1138 VanDerWaalsContact C-N 3.25Å; D1136-V1138 PolarHBondContact O-N 2.72Å; V1138-T1140 VanDerWaalsContact C-N 3.34Å; V1138-T1140 PolarHBondContact O-N 3.42Å; V1138-G1141 PolarHBondContact O-N 2.95Å; V1138-G1141 VanDerWaalsContact O-N 3.11Å; V1138-I1142 WeakPolarHBondContact O-CG1 3.38Å; V1138-I1142 PolarHBondContact O-N 3.05Å
1139	M	70.1	Confident	73.1	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-36.5	-178.3	-65.9	-60.9	-73.6	0	0	113.2	F1092 K1096 L1134 L1135 D1136 I1142	F1092-M1139 HydrophobicContact CB-CE 3.97Å; F1092-M1139 WeakPolarHBondContact CB-O 3.14Å; F1092-M1139 HydrophobicContact CD1-CE 4.5Å; F1092-M1139 VanDerWaalsContact O-CE 3.3Å; F1092-M1139 WeakPolarHBondContact O-CE 3.47Å; K1096-M1139 HydrophobicContact CD-CG 4.08Å; L1134-M1139 HydrophobicContact CB-CG 4.28Å; L1134-M1139 HydrophobicContact CB-SD 4.39Å; L1134-M1139 HydrophobicContact CD1-SD 4.03Å; L1135-M1139 PolarHBondContact O-N 3.25Å; D1136-M1139 PolarHBondContact O-N 3.47Å; M1139-I1142 HydrophobicContact SD-CD1 3.71Å
1140	T	68.8	Low	73.5	Confident	65 Å²	65	57.3 Å²	57.3	40%	0.399	32%	0.315	S	S	.	.	H	α-helix	trans	-69.9	-34	174.4	49.6	0	0	0	0	112.5	D1136 S1137 V1138	D1136-T1140 PolarHBondContact O-N 2.99Å; D1136-T1140 PolarHBondContact O-OG1 3.49Å; S1137-T1140 WeakPolarHBondContact CA-OG1 3.01Å; S1137-T1140 PolarHBondContact O-OG1 3.22Å; S1137-T1140 VanDerWaalsContact O-OG1 3.11Å; V1138-T1140 VanDerWaalsContact C-N 3.34Å; V1138-T1140 PolarHBondContact O-N 3.42Å
1141	G	74.4	Confident	73.7	Confident	16 Å²	16	55.5 Å²	55.5	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-82.5	-12.1	-178.8	0	0	0	0	0	114.8	S1137 V1138 S1145	S1137-G1141 PolarHBondContact O-N 3.33Å; S1137-G1141 VanDerWaalsContact O-N 3.11Å; V1138-G1141 PolarHBondContact O-N 2.95Å; V1138-G1141 VanDerWaalsContact O-N 3.11Å; G1141-S1145 VanDerWaalsContact O-CB 3.27Å; G1141-S1145 WeakPolarHBondContact O-CB 3.32Å; G1141-S1145 PolarHBondContact O-N 3.24Å; G1141-S1145 PolarHBondContact O-OG 3.36Å
1142	I	77.3	Confident	74	Confident	4 Å²	4	57 Å²	57	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-48.5	-178.9	-73.4	164.4	0	0	0	111	F1092 V1113 I1114 L1117 V1138 M1139 E1144 S1145 I1146	F1092-I1142 HydrophobicContact CD1-CB 4.45Å; F1092-I1142 HydrophobicContact CD1-CD1 4.18Å; F1092-I1142 HydrophobicContact CD1-CG2 3.97Å; F1092-I1142 HydrophobicContact CD2-CB 4.22Å; F1092-I1142 HydrophobicContact CD2-CG2 3.9Å; F1092-I1142 HydrophobicContact CE1-CG2 3.7Å; F1092-I1142 HydrophobicContact CE2-CB 4.43Å; F1092-I1142 HydrophobicContact CE2-CG2 3.63Å; F1092-I1142 HydrophobicContact CG-CB 4.24Å; F1092-I1142 HydrophobicContact CG-CG2 4.06Å; F1092-I1142 HydrophobicContact CZ-CG2 3.53Å; V1113-I1142 HydrophobicContact CG1-CG2 4.28Å; I1114-I1142 HydrophobicContact CD1-CD1 4.34Å; I1114-I1142 HydrophobicContact CG1-CD1 4.03Å; L1117-I1142 HydrophobicContact CD1-CG2 4Å; V1138-I1142 WeakPolarHBondContact O-CG1 3.38Å; V1138-I1142 PolarHBondContact O-N 3.05Å; M1139-I1142 HydrophobicContact SD-CD1 3.71Å; I1142-E1144 PolarHBondContact O-N 3.17Å; I1142-S1145 CarbonylContact O-C 3.46Å; I1142-S1145 WeakPolarHBondContact O-CB 3.46Å; I1142-S1145 PolarHBondContact O-N 3.02Å; I1142-I1146 HydrophobicContact CG2-CD1 3.74Å; I1142-I1146 HydrophobicContact CG2-CG1 4.24Å; I1142-I1146 VanDerWaalsContact O-CG1 3.29Å; I1142-I1146 WeakPolarHBondContact O-CG1 3.25Å; I1142-I1146 PolarHBondContact O-N 3.48Å
1143	H	80.2	Confident	74.1	Confident	19 Å²	19	58.2 Å²	58.2	9%	0.088	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-46.3	-178.4	-171.2	-80.5	0	0	0	111.4	I1087 F1092 S1145 I1146 V1147	I1087-H1143 PolarHBondContact O-NE2 3.46Å; I1087-H1143 VanDerWaalsContact O-NE2 3.1Å; F1092-H1143 HydrophobicContact CD2-CB 4.28Å; F1092-H1143 HydrophobicContact CE2-CB 4.41Å; H1143-S1145 VanDerWaalsContact C-N 3.29Å; H1143-S1145 PolarHBondContact O-N 2.81Å; H1143-I1146 WeakPolarHBondContact O-CB 3.21Å; H1143-I1146 PolarHBondContact O-N 3.47Å; H1143-I1146 VanDerWaalsContact O-N 3.13Å; H1143-V1147 WeakPolarHBondContact O-CG2 3.22Å; H1143-V1147 PolarHBondContact O-N 3.36Å
1144	E	80.8	Confident	73.3	Confident	134 Å²	134	51.8 Å²	51.8	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-57.8	-42.6	173.6	-68.2	176.9	173.9	0	0	111.4	I1142 I1146 V1147 D1148	I1142-E1144 PolarHBondContact O-N 3.17Å; E1144-I1146 PolarHBondContact O-N 3.08Å; E1144-V1147 PolarHBondContact O-N 3Å; E1144-D1148 PolarHBondContact O-N 3.22Å
1145	S	81.6	Confident	72.4	Confident	47 Å²	47	55.2 Å²	55.2	33%	0.329	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-34.6	177.1	-57.9	0	0	0	0	112.8	G1141 I1142 H1143 Y1149	G1141-S1145 VanDerWaalsContact O-CB 3.27Å; G1141-S1145 WeakPolarHBondContact O-CB 3.32Å; G1141-S1145 PolarHBondContact O-N 3.24Å; G1141-S1145 PolarHBondContact O-OG 3.36Å; I1142-S1145 CarbonylContact O-C 3.46Å; I1142-S1145 WeakPolarHBondContact O-CB 3.46Å; I1142-S1145 PolarHBondContact O-N 3.02Å; H1143-S1145 VanDerWaalsContact C-N 3.29Å; H1143-S1145 PolarHBondContact O-N 2.81Å; S1145-Y1149 VanDerWaalsContact O-CB 3.25Å; S1145-Y1149 WeakPolarHBondContact O-CB 3.2Å; S1145-Y1149 PolarHBondContact O-N 3.21Å
1146	I	82.1	Confident	71.4	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-43.6	174.3	-70.6	169.1	0	0	0	110.2	T1084 F1092 V1113 L1117 I1142 H1143 E1144 D1148 Y1149 L1189 W1192	T1084-I1146 HydrophobicContact CG2-CG2 3.82Å; F1092-I1146 HydrophobicContact CE2-CD1 3.86Å; F1092-I1146 HydrophobicContact CZ-CD1 3.71Å; V1113-I1146 HydrophobicContact CG1-CD1 4.12Å; V1113-I1146 HydrophobicContact CG1-CG1 4.4Å; L1117-I1146 HydrophobicContact CD1-CD1 4.38Å; L1117-I1146 HydrophobicContact CD1-CG1 3.58Å; L1117-I1146 HydrophobicContact CD2-CG1 4.41Å; I1142-I1146 HydrophobicContact CG2-CD1 3.74Å; I1142-I1146 HydrophobicContact CG2-CG1 4.24Å; I1142-I1146 VanDerWaalsContact O-CG1 3.29Å; I1142-I1146 WeakPolarHBondContact O-CG1 3.25Å; I1142-I1146 PolarHBondContact O-N 3.48Å; H1143-I1146 WeakPolarHBondContact O-CB 3.21Å; H1143-I1146 PolarHBondContact O-N 3.47Å; H1143-I1146 VanDerWaalsContact O-N 3.13Å; E1144-I1146 PolarHBondContact O-N 3.08Å; I1146-D1148 VanDerWaalsContact C-N 3.32Å; I1146-D1148 PolarHBondContact O-N 3.5Å; I1146-Y1149 WeakPolarHBondContact O-CB 3.41Å; I1146-Y1149 PolarHBondContact O-N 3.28Å; I1146-L1189 HydrophobicContact CD1-CD1 3.67Å; I1146-W1192 HydrophobicContact CB-CZ2 4.36Å; I1146-W1192 HydrophobicContact CG1-CH2 4.3Å; I1146-W1192 HydrophobicContact CG1-CZ2 4.46Å; I1146-W1192 HydrophobicContact CG2-CD2 4.2Å; I1146-W1192 HydrophobicContact CG2-CH2 4.38Å; I1146-W1192 HydrophobicContact CG2-CZ2 3.76Å
1147	V	79.8	Confident	70.5	Confident	81 Å²	81	58.1 Å²	58.1	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-41.8	178.2	173.3	0	0	0	0	111	T1084 H1143 E1144 Y1149	T1084-V1147 HydrophobicContact CG2-CB 4.34Å; T1084-V1147 HydrophobicContact CG2-CG2 3.5Å; T1084-V1147 VanDerWaalsContact CG2-CG2 3.5Å; H1143-V1147 WeakPolarHBondContact O-CG2 3.22Å; H1143-V1147 PolarHBondContact O-N 3.36Å; E1144-V1147 PolarHBondContact O-N 3Å; V1147-Y1149 VanDerWaalsContact C-N 3.34Å
1148	D	78.8	Confident	69.8	Low	135 Å²	135	56.4 Å²	56.4	72%	0.722	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.3	-178.7	-68	-19	0	0	0	113.8	E1144 I1146 D1150	E1144-D1148 PolarHBondContact O-N 3.22Å; I1146-D1148 VanDerWaalsContact C-N 3.32Å; I1146-D1148 PolarHBondContact O-N 3.5Å; D1148-D1150 PolarHBondContact O-N 3.11Å
1149	Y	80.4	Confident	69.2	Low	43 Å²	43	60.8 Å²	60.8	17%	0.169	32%	0.32	C	S	.	.			trans	-75.3	116.8	-175.4	-176.4	-102.9	0	0	0	112.3	L1116 L1117 S1145 I1146 V1147 P1151 W1192 C1196 W1200	L1116-Y1149 WeakPolarHBondContact CD1-OH 3.3Å; L1116-Y1149 HydrophobicContact CD2-CE1 3.88Å; L1116-Y1149 HydrophobicContact CD2-CE2 4.49Å; L1116-Y1149 HydrophobicContact CG-CE1 4.34Å; L1116-Y1149 HydrophobicContact CG-CE2 4.18Å; L1117-Y1149 HydrophobicContact CD2-CD2 3.72Å; L1117-Y1149 HydrophobicContact CD2-CE2 4.47Å; L1117-Y1149 HydrophobicContact CD2-CG 3.94Å; S1145-Y1149 VanDerWaalsContact O-CB 3.25Å; S1145-Y1149 WeakPolarHBondContact O-CB 3.2Å; S1145-Y1149 PolarHBondContact O-N 3.21Å; I1146-Y1149 WeakPolarHBondContact O-CB 3.41Å; I1146-Y1149 PolarHBondContact O-N 3.28Å; V1147-Y1149 VanDerWaalsContact C-N 3.34Å; Y1149-P1151 HydrophobicContact CE1-CB 3.87Å; Y1149-W1192 AromaticContact CD1-CH2 3.73Å; Y1149-W1192 HydrophobicContact CD1-CH2 3.73Å; Y1149-W1192 AromaticContact CD1-CZ2 3.54Å; Y1149-W1192 HydrophobicContact CD1-CZ2 3.54Å; Y1149-W1192 HydrophobicContact CE1-CH2 4.22Å; Y1149-W1192 HydrophobicContact CE1-CZ2 4.35Å; Y1149-W1192 HydrophobicContact CG-CH2 4.13Å; Y1149-W1192 HydrophobicContact CG-CZ2 4.04Å; Y1149-C1196 HydrophobicContact CE1-CB 4.49Å; Y1149-W1200 WeakPolarHBondContact OH-CZ2 3.5Å
1150	D	75.4	Confident	68.7	Low	46 Å²	46	66.4 Å²	66.4	25%	0.246	35%	0.35	C	S	.	.			trans	-103.6	108.5	170.1	-170.8	-10.7	0	0	0	111.1	K1077 D1148 F1152 V1153	K1077-D1150 WeakPolarHBondContact CE-OD1 3.3Å; K1077-D1150 VanDerWaalsContact CE-OD2 3.28Å; K1077-D1150 WeakPolarHBondContact CE-OD2 3.14Å; K1077-D1150 IonicContact NZ-OD1 3.08Å; K1077-D1150 IonicContact NZ-OD2 3.24Å; K1077-D1150 PolarHBondContact NZ-OD2 3.4Å; D1148-D1150 PolarHBondContact O-N 3.11Å; D1150-F1152 PolarHBondContact O-N 3.3Å; D1150-F1152 VanDerWaalsContact O-N 3.13Å; D1150-F1152 WeakPolarHBondContact OD1-CB 3.23Å; D1150-F1152 WeakPolarHBondContact OD1-CD2 3.47Å; D1150-F1152 PolarHBondContact OD1-N 3.26Å; D1150-V1153 HydrophobicContact CB-CG2 4.07Å; D1150-V1153 PolarHBondContact O-N 2.81Å
1151	P	73.6	Confident	68.4	Low	2 Å²	2	66.8 Å²	66.8	1%	0.013	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.4	-179.6	28.5	-36.3	0	0	0	113.6	L1080 Y1149 I1199 W1200	L1080-P1151 HydrophobicContact CD1-CG 3.55Å; Y1149-P1151 HydrophobicContact CE1-CB 3.87Å; P1151-I1199 HydrophobicContact CB-CD1 4.38Å; P1151-I1199 HydrophobicContact CB-CG2 4.13Å; P1151-I1199 HydrophobicContact CG-CD1 3.84Å; P1151-I1199 HydrophobicContact CG-CG2 4.28Å; P1151-W1200 PolarHBondContact O-NE1 3.13Å
1152	F	73.3	Confident	68	Low	39 Å²	39	68.4 Å²	68.4	17%	0.171	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.9	-177.2	-64	-87.3	0	0	0	114.2	K1073 A1076 K1077 D1150 I1199 N1203	K1073-F1152 HydrophobicContact CB-CD1 4.26Å; K1073-F1152 HydrophobicContact CB-CE1 3.8Å; K1073-F1152 HydrophobicContact CB-CE2 4.27Å; K1073-F1152 HydrophobicContact CB-CZ 3.82Å; K1073-F1152 HydrophobicContact CD-CB 4.1Å; K1073-F1152 HydrophobicContact CD-CD1 3.71Å; K1073-F1152 HydrophobicContact CD-CD2 4.14Å; K1073-F1152 HydrophobicContact CD-CE1 4.15Å; K1073-F1152 HydrophobicContact CD-CG 3.71Å; K1073-F1152 VanDerWaalsContact CE-CB 3.44Å; K1073-F1152 HydrophobicContact CG-CD1 3.78Å; K1073-F1152 HydrophobicContact CG-CD2 3.71Å; K1073-F1152 HydrophobicContact CG-CE1 3.75Å; K1073-F1152 HydrophobicContact CG-CE2 3.69Å; K1073-F1152 HydrophobicContact CG-CG 3.77Å; K1073-F1152 HydrophobicContact CG-CZ 3.72Å; A1076-F1152 HydrophobicContact CB-CE2 4.08Å; A1076-F1152 HydrophobicContact CB-CZ 3.89Å; K1077-F1152 HydrophobicContact CG-CD2 4.23Å; K1077-F1152 HydrophobicContact CG-CE2 4.1Å; D1150-F1152 PolarHBondContact O-N 3.3Å; D1150-F1152 VanDerWaalsContact O-N 3.13Å; D1150-F1152 WeakPolarHBondContact OD1-CB 3.23Å; D1150-F1152 WeakPolarHBondContact OD1-CD2 3.47Å; D1150-F1152 PolarHBondContact OD1-N 3.26Å; F1152-I1199 HydrophobicContact CD1-CG2 4.09Å; F1152-I1199 HydrophobicContact CD2-CG2 4.44Å; F1152-I1199 HydrophobicContact CE1-CG2 3.52Å; F1152-I1199 HydrophobicContact CE2-CD1 4.25Å; F1152-I1199 HydrophobicContact CE2-CG2 3.92Å; F1152-I1199 HydrophobicContact CZ-CB 4.48Å; F1152-I1199 HydrophobicContact CZ-CD1 4.29Å; F1152-I1199 HydrophobicContact CZ-CG1 4.26Å; F1152-I1199 HydrophobicContact CZ-CG2 3.42Å; F1152-I1199 VanDerWaalsContact CZ-CG2 3.42Å; F1152-N1203 VanDerWaalsContact CD1-ND2 3.28Å; F1152-N1203 WeakPolarHBondContact CD1-ND2 3.45Å; F1152-N1203 WeakPolarHBondContact CE1-ND2 3.41Å
1153	V	66.3	Low	67.6	Low	95 Å²	95	71.1 Å²	71.1	58%	0.576	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.9	174.1	-179.4	0	0	0	0	111.1	D1150 E1155	D1150-V1153 HydrophobicContact CB-CG2 4.07Å; D1150-V1153 PolarHBondContact O-N 2.81Å; V1153-E1155 PolarHBondContact O-N 3.21Å
1154	G	53.3	Low	67.2	Low	11 Å²	11	73.8 Å²	73.8	11%	0.113	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-78.3	-9.7	-162.5	0	0	0	0	0	118.2	Q1156 Q1157	G1154-Q1156 PolarHBondContact O-N 2.77Å; G1154-Q1156 VanDerWaalsContact O-N 3.14Å; G1154-Q1157 PolarHBondContact O-N 2.82Å; G1154-Q1157 VanDerWaalsContact O-N 3.07Å
1155	E	49.4	Very low	67	Low	87 Å²	87	71.4 Å²	71.4	41%	0.407	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.5	-174.6	-77.9	-169.4	163.3	0	0	113.8	V1153 Q1157 N1203 H1207	V1153-E1155 PolarHBondContact O-N 3.21Å; E1155-Q1157 VanDerWaalsContact C-N 3.34Å; E1155-Q1157 PolarHBondContact O-N 3.36Å; E1155-N1203 WeakPolarHBondContact OE1-CB 3.4Å; E1155-H1207 IonicContact OE1-CD2 2.83Å; E1155-H1207 IonicContact OE2-CD2 2.87Å; E1155-H1207 PolarHBondContact OE2-CD2 2.89Å; E1155-H1207 IonicContact OE2-NE2 2.65Å; E1155-H1207 PolarHBondContact OE2-NE2 3.24Å
1156	Q	48.5	Very low	66.8	Low	190 Å²	190	69.5 Å²	69.5	89%	0.888	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-82.9	-6.5	-179.1	-69.5	-177.9	-3.1	0	0	114.2	G1154	G1154-Q1156 PolarHBondContact O-N 2.77Å; G1154-Q1156 VanDerWaalsContact O-N 3.14Å
1157	Q	49.6	Very low	66.7	Low	95 Å²	95	71.7 Å²	71.7	44%	0.444	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-10.2	-163.2	-64.9	-175.3	6.4	0	0	115.3	G1154 E1155	G1154-Q1157 PolarHBondContact O-N 2.82Å; G1154-Q1157 VanDerWaalsContact O-N 3.07Å; E1155-Q1157 VanDerWaalsContact C-N 3.34Å; E1155-Q1157 PolarHBondContact O-N 3.36Å
1158	I	53.3	Low	66.8	Low	43 Å²	43	71.9 Å²	71.9	22%	0.221	37%	0.371	C	S	.	.	S	Bend	trans	-107.6	115.4	-179.7	-61.9	179	0	0	0	109.3	N1160 Q1162 W1200	I1158-N1160 PolarHBondContact O-N 2.85Å; I1158-Q1162 HydrophobicContact CG2-CB 3.76Å; I1158-W1200 HydrophobicContact CD1-CH2 3.04Å; I1158-W1200 HydrophobicContact CD1-CZ2 3.28Å; I1158-W1200 HydrophobicContact CD1-CZ3 4.1Å; I1158-W1200 HydrophobicContact CG1-CH2 4.41Å
1159	I	56.1	Low	66.9	Low	116 Å²	116	65.5 Å²	65.5	60%	0.595	34%	0.337	S	S	*	.			trans	-62.7	134.2	178.9	-54.8	171.2	0	0	0	107.7	S1161 Q1162 Q1163	I1159-S1161 VanDerWaalsContact CG2-OG 3.29Å; I1159-S1161 WeakPolarHBondContact CG2-OG 3.41Å; I1159-S1161 CarbonylContact O-C 2.9Å; I1159-S1161 PolarHBondContact O-N 2.95Å; I1159-Q1162 WeakPolarHBondContact O-CB 3.17Å; I1159-Q1162 PolarHBondContact O-N 3.4Å; I1159-Q1163 PolarHBondContact O-N 3.21Å
1160	N	60.4	Low	67	Low	125 Å²	125	65 Å²	65	67%	0.668	34%	0.335	S	S	*	.	H	α-helix	trans	-44.3	-30.2	178.2	-71.3	-14.8	0	0	0	114	I1158 Q1163 S1164	I1158-N1160 PolarHBondContact O-N 2.85Å; N1160-Q1163 PolarHBondContact O-N 3.4Å; N1160-S1164 PolarHBondContact O-N 2.84Å
1161	S	61.8	Low	67.4	Low	72 Å²	72	69.6 Å²	69.6	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-46.5	174.1	56.8	0	0	0	0	113.2	I1159 Q1163 S1164 R1165	I1159-S1161 VanDerWaalsContact CG2-OG 3.29Å; I1159-S1161 WeakPolarHBondContact CG2-OG 3.41Å; I1159-S1161 CarbonylContact O-C 2.9Å; I1159-S1161 PolarHBondContact O-N 2.95Å; S1161-Q1163 VanDerWaalsContact C-N 3.28Å; S1161-Q1163 PolarHBondContact O-N 3.38Å; S1161-S1164 PolarHBondContact O-N 3.45Å; S1161-S1164 PolarHBondContact O-OG 3.24Å; S1161-R1165 PolarHBondContact O-N 2.91Å
1162	Q	66.6	Low	68	Low	50 Å²	50	73.4 Å²	73.4	23%	0.234	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-35	177.6	-74.6	-171.9	-27.8	0	0	111.8	I1158 I1159 R1165 L1166	I1158-Q1162 HydrophobicContact CG2-CB 3.76Å; I1159-Q1162 WeakPolarHBondContact O-CB 3.17Å; I1159-Q1162 PolarHBondContact O-N 3.4Å; Q1162-R1165 PolarHBondContact O-N 3.16Å; Q1162-L1166 WeakPolarHBondContact O-CB 3.36Å; Q1162-L1166 PolarHBondContact O-N 3.45Å
1163	Q	69	Low	68.5	Low	61 Å²	61	72.1 Å²	72.1	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-47.2	178.4	-171.3	-171.3	13.5	0	0	112.5	I1159 N1160 S1161 R1165 L1166 N1167	I1159-Q1163 PolarHBondContact O-N 3.21Å; N1160-Q1163 PolarHBondContact O-N 3.4Å; S1161-Q1163 VanDerWaalsContact C-N 3.28Å; S1161-Q1163 PolarHBondContact O-N 3.38Å; Q1163-R1165 PolarHBondContact O-N 3.08Å; Q1163-L1166 PolarHBondContact O-N 3.19Å; Q1163-N1167 PolarHBondContact O-N 3.2Å; Q1163-N1167 PolarHBondContact O-ND2 3.34Å
1164	S	72.1	Confident	69.4	Low	76 Å²	76	69.5 Å²	69.5	53%	0.531	35%	0.352	S	S	.	.	H	α-helix	trans	-58.3	-38	177.6	69.2	0	0	0	0	111.5	N1160 S1161 E1168	N1160-S1164 PolarHBondContact O-N 2.84Å; S1161-S1164 PolarHBondContact O-N 3.45Å; S1161-S1164 PolarHBondContact O-OG 3.24Å; S1164-E1168 PolarHBondContact O-N 3.22Å; S1164-E1168 VanDerWaalsContact O-N 3.08Å
1165	R	74.8	Confident	70.7	Confident	84 Å²	84	70.9 Å²	70.9	32%	0.317	36%	0.36	S	S	.	.	H	α-helix	trans	-73.6	-41.3	178.6	-170.2	56.6	166.5	178.8	-5	112.7	S1161 Q1162 Q1163 N1167 E1168 I1169	S1161-R1165 PolarHBondContact O-N 2.91Å; Q1162-R1165 PolarHBondContact O-N 3.16Å; Q1163-R1165 PolarHBondContact O-N 3.08Å; R1165-N1167 VanDerWaalsContact C-N 3.33Å; R1165-N1167 PolarHBondContact O-N 3.2Å; R1165-E1168 IonicContact CZ-OE2 3.7Å; R1165-E1168 IonicContact NH1-OE1 3.08Å; R1165-E1168 PolarHBondContact NH1-OE1 3.48Å; R1165-E1168 VanDerWaalsContact NH1-OE1 3.09Å; R1165-E1168 IonicContact NH1-OE2 3.32Å; R1165-E1168 PolarHBondContact NH1-OE2 3.33Å; R1165-E1168 PolarHBondContact O-N 3.24Å; R1165-I1169 HydrophobicContact CG-CD1 3.97Å; R1165-I1169 VanDerWaalsContact O-CG1 3.31Å; R1165-I1169 WeakPolarHBondContact O-CG1 3.18Å; R1165-I1169 PolarHBondContact O-N 2.93Å
1166	L	77.9	Confident	72.3	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-60.4	-44.7	175.3	-175.1	70.7	0	0	0	110.8	A1112 L1115 L1116 Q1162 Q1163 E1168 I1169 Y1170 M1197 W1200	A1112-L1166 HydrophobicContact CB-CD1 3.89Å; A1112-L1166 WeakPolarHBondContact O-CD1 3.31Å; L1115-L1166 HydrophobicContact CB-CD1 4.24Å; L1116-L1166 HydrophobicContact CD1-CD2 3.87Å; Q1162-L1166 WeakPolarHBondContact O-CB 3.36Å; Q1162-L1166 PolarHBondContact O-N 3.45Å; Q1163-L1166 PolarHBondContact O-N 3.19Å; L1166-E1168 PolarHBondContact O-N 3.43Å; L1166-I1169 PolarHBondContact O-N 3.27Å; L1166-Y1170 VanDerWaalsContact O-CB 3.24Å; L1166-Y1170 WeakPolarHBondContact O-CB 3.23Å; L1166-Y1170 PolarHBondContact O-N 2.86Å; L1166-M1197 HydrophobicContact CD2-CE 4.29Å; L1166-M1197 HydrophobicContact CD2-SD 3.53Å; L1166-M1197 VanDerWaalsContact CD2-SD 3.53Å; L1166-M1197 HydrophobicContact CG-CE 4.48Å; L1166-M1197 HydrophobicContact CG-SD 4.08Å; L1166-W1200 HydrophobicContact CD2-CE3 4.37Å; L1166-W1200 HydrophobicContact CD2-CH2 3.96Å; L1166-W1200 HydrophobicContact CD2-CZ3 3.46Å; L1166-W1200 VanDerWaalsContact CD2-CZ3 3.46Å
1167	N	80	Confident	73.9	Confident	49 Å²	49	68.9 Å²	68.9	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-45.4	173.6	-78.7	-40.9	0	0	0	111.4	Q1163 R1165 I1169 Y1170 E1171 M1197	Q1163-N1167 PolarHBondContact O-N 3.2Å; Q1163-N1167 PolarHBondContact O-ND2 3.34Å; R1165-N1167 VanDerWaalsContact C-N 3.33Å; R1165-N1167 PolarHBondContact O-N 3.2Å; N1167-I1169 VanDerWaalsContact C-N 3.3Å; N1167-I1169 PolarHBondContact O-N 2.95Å; N1167-Y1170 PolarHBondContact O-N 3.49Å; N1167-E1171 VanDerWaalsContact O-CG 3.27Å; N1167-E1171 WeakPolarHBondContact O-CG 3.49Å; N1167-E1171 PolarHBondContact O-N 3.22Å; N1167-M1197 WeakPolarHBondContact OD1-CE 3.38Å
1168	E	81.6	Confident	75.4	Confident	85 Å²	85	64.4 Å²	64.4	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-36.1	178.4	-163.4	-157	143.2	0	0	112.9	S1164 R1165 L1166 K1172	S1164-E1168 PolarHBondContact O-N 3.22Å; S1164-E1168 VanDerWaalsContact O-N 3.08Å; R1165-E1168 IonicContact CZ-OE2 3.7Å; R1165-E1168 IonicContact NH1-OE1 3.08Å; R1165-E1168 PolarHBondContact NH1-OE1 3.48Å; R1165-E1168 VanDerWaalsContact NH1-OE1 3.09Å; R1165-E1168 IonicContact NH1-OE2 3.32Å; R1165-E1168 PolarHBondContact NH1-OE2 3.33Å; R1165-E1168 PolarHBondContact O-N 3.24Å; L1166-E1168 PolarHBondContact O-N 3.43Å; E1168-K1172 WeakPolarHBondContact O-CG 3.35Å; E1168-K1172 IonicContact OE1-NZ 2.67Å; E1168-K1172 PolarHBondContact OE1-NZ 2.63Å
1169	I	80.8	Confident	76.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-74.9	-43.4	177.3	-66.2	162.2	0	0	0	110.3	Y1108 W1111 A1112 L1115 R1165 L1166 N1167 E1171 K1172	Y1108-I1169 HydrophobicContact CD1-CG2 4.26Å; Y1108-I1169 WeakPolarHBondContact O-CG2 3.43Å; W1111-I1169 HydrophobicContact CD2-CD1 3.57Å; W1111-I1169 HydrophobicContact CD2-CG1 4.26Å; W1111-I1169 HydrophobicContact CD2-CG2 4.42Å; W1111-I1169 HydrophobicContact CE3-CD1 3.7Å; W1111-I1169 HydrophobicContact CE3-CG1 3.88Å; W1111-I1169 HydrophobicContact CE3-CG2 4.07Å; W1111-I1169 HydrophobicContact CG-CD1 4.22Å; W1111-I1169 HydrophobicContact CH2-CD1 3.81Å; W1111-I1169 HydrophobicContact CH2-CG1 4.15Å; W1111-I1169 HydrophobicContact CZ2-CD1 3.68Å; W1111-I1169 HydrophobicContact CZ3-CD1 3.82Å; W1111-I1169 HydrophobicContact CZ3-CG1 3.82Å; A1112-I1169 HydrophobicContact CB-CG2 4.15Å; L1115-I1169 HydrophobicContact CD1-CD1 3.21Å; R1165-I1169 HydrophobicContact CG-CD1 3.97Å; R1165-I1169 VanDerWaalsContact O-CG1 3.31Å; R1165-I1169 WeakPolarHBondContact O-CG1 3.18Å; R1165-I1169 PolarHBondContact O-N 2.93Å; L1166-I1169 PolarHBondContact O-N 3.27Å; N1167-I1169 VanDerWaalsContact C-N 3.3Å; N1167-I1169 PolarHBondContact O-N 2.95Å; I1169-E1171 VanDerWaalsContact C-N 3.32Å; I1169-E1171 PolarHBondContact O-N 3.47Å; I1169-K1172 WeakPolarHBondContact O-CB 3.28Å; I1169-K1172 PolarHBondContact O-N 2.93Å
1170	Y	83	Confident	77.8	Confident	32 Å²	32	69.9 Å²	69.9	13%	0.125	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-42.7	178.4	179.9	-96.8	0	0	0	111.7	L1166 N1167 K1172 I1173 Y1190 M1193 T1194 M1197	L1166-Y1170 VanDerWaalsContact O-CB 3.24Å; L1166-Y1170 WeakPolarHBondContact O-CB 3.23Å; L1166-Y1170 PolarHBondContact O-N 2.86Å; N1167-Y1170 PolarHBondContact O-N 3.49Å; Y1170-K1172 PolarHBondContact O-N 3.36Å; Y1170-I1173 HydrophobicContact CD2-CD1 4.27Å; Y1170-I1173 WeakPolarHBondContact O-CB 3.43Å; Y1170-I1173 PolarHBondContact O-N 3.32Å; Y1170-Y1190 HydrophobicContact CE2-CE2 4.23Å; Y1170-M1193 HydrophobicContact CD2-CG 4.14Å; Y1170-M1193 HydrophobicContact CE2-CG 4.27Å; Y1170-T1194 WeakPolarHBondContact OH-CG2 3.33Å; Y1170-T1194 PolarHBondContact OH-OG1 2.94Å; Y1170-M1197 HydrophobicContact CD2-CG 4.07Å; Y1170-M1197 HydrophobicContact CE2-CG 4.17Å; Y1170-M1197 HydrophobicContact CG-CG 4.4Å
1171	E	84.5	Confident	78.6	Confident	143 Å²	143	69.6 Å²	69.6	67%	0.668	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.9	175.5	-68.7	-67.1	152.1	0	0	113.6	N1167 I1169	N1167-E1171 VanDerWaalsContact O-CG 3.27Å; N1167-E1171 WeakPolarHBondContact O-CG 3.49Å; N1167-E1171 PolarHBondContact O-N 3.22Å; I1169-E1171 VanDerWaalsContact C-N 3.32Å; I1169-E1171 PolarHBondContact O-N 3.47Å
1172	K	85.1	Confident	79.4	Confident	82 Å²	82	67 Å²	67	36%	0.357	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.8	174.2	-68.8	170.9	-170.3	169.4	0	113	Y1108 E1168 I1169 Y1170 S1174	Y1108-K1172 HydrophobicContact CD1-CB 4.46Å; Y1108-K1172 HydrophobicContact CD2-CB 3.94Å; Y1108-K1172 HydrophobicContact CE1-CD 4.15Å; Y1108-K1172 HydrophobicContact CE2-CB 4.05Å; Y1108-K1172 HydrophobicContact CG-CB 4.19Å; E1168-K1172 WeakPolarHBondContact O-CG 3.35Å; E1168-K1172 IonicContact OE1-NZ 2.67Å; E1168-K1172 PolarHBondContact OE1-NZ 2.63Å; I1169-K1172 WeakPolarHBondContact O-CB 3.28Å; I1169-K1172 PolarHBondContact O-N 2.93Å; Y1170-K1172 PolarHBondContact O-N 3.36Å; K1172-S1174 PolarHBondContact O-N 2.99Å
1173	I	85.2	Confident	80.2	Confident	13 Å²	13	65 Å²	65	7%	0.067	31%	0.313	C	S	.	.			trans	-80.1	118.1	179	-56.7	170.7	0	0	0	108.6	L1109 A1112 Y1170 L1178 Y1190	L1109-I1173 HydrophobicContact CB-CD1 4.16Å; L1109-I1173 HydrophobicContact CD1-CD1 4.26Å; A1112-I1173 HydrophobicContact CB-CD1 4.37Å; Y1170-I1173 HydrophobicContact CD2-CD1 4.27Å; Y1170-I1173 WeakPolarHBondContact O-CB 3.43Å; Y1170-I1173 PolarHBondContact O-N 3.32Å; I1173-L1178 HydrophobicContact CG2-CD1 3.52Å; I1173-L1178 HydrophobicContact CG2-CG 4.29Å; I1173-Y1190 HydrophobicContact CB-CE2 4.2Å; I1173-Y1190 HydrophobicContact CG2-CD2 3.7Å; I1173-Y1190 HydrophobicContact CG2-CE2 3.56Å
1174	S	85.1	Confident	80.8	Confident	40 Å²	40	68.1 Å²	68.1	28%	0.28	33%	0.328	S	S	.	.			trans	-89.3	114.3	173.4	174	0	0	0	0	110.4	S1105 K1172 E1176 Q1177 L1178	S1105-S1174 PolarHBondContact OG-N 3.38Å; S1105-S1174 VanDerWaalsContact OG-N 3.13Å; K1172-S1174 PolarHBondContact O-N 2.99Å; S1174-E1176 PolarHBondContact O-N 3.42Å; S1174-Q1177 PolarHBondContact O-N 2.85Å; S1174-Q1177 PolarHBondContact OG-N 3.25Å; S1174-L1178 PolarHBondContact O-N 2.96Å; S1174-L1178 VanDerWaalsContact O-N 3.13Å
1175	S	80.9	Confident	81.5	Confident	39 Å²	39	65.4 Å²	65.4	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-59.6	-34.5	173.9	-173.8	0	0	0	0	112.4	L1178 K1179	S1175-L1178 PolarHBondContact O-N 3.25Å; S1175-K1179 WeakPolarHBondContact O-CG 3.44Å; S1175-K1179 PolarHBondContact O-N 3.16Å
1176	E	82.7	Confident	81.9	Confident	159 Å²	159	61.5 Å²	61.5	74%	0.743	29%	0.294	S	S	*	.	H	α-helix	trans	-65.3	-42.8	177.3	-69.1	179.2	172.7	0	0	111.7	S1174 K1179 Q1180	S1174-E1176 PolarHBondContact O-N 3.42Å; E1176-K1179 PolarHBondContact O-N 2.82Å; E1176-Q1180 WeakPolarHBondContact O-CB 3.35Å; E1176-Q1180 PolarHBondContact O-N 2.88Å; E1176-Q1180 VanDerWaalsContact O-N 3.12Å
1177	Q	81.2	Confident	82.3	Confident	77 Å²	77	63.2 Å²	63.2	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-42.2	175.8	-72.3	-168.1	-19.1	0	0	111.9	S1105 S1174 Q1180 Y1181	S1105-Q1177 PolarHBondContact OG-OE1 3.41Å; S1174-Q1177 PolarHBondContact O-N 2.85Å; S1174-Q1177 PolarHBondContact OG-N 3.25Å; Q1177-Q1180 PolarHBondContact O-N 3.34Å; Q1177-Y1181 HydrophobicContact CB-CD2 4.39Å; Q1177-Y1181 VanDerWaalsContact O-CD2 3.31Å; Q1177-Y1181 WeakPolarHBondContact O-CD2 3.35Å; Q1177-Y1181 PolarHBondContact O-N 3.42Å
1178	L	81.9	Confident	82.5	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-47	177.9	-69.3	176	0	0	0	111.3	E1106 L1109 I1173 S1174 S1175 Q1180 S1182 Y1190	E1106-L1178 HydrophobicContact CG-CD2 3.7Å; L1109-L1178 HydrophobicContact CD2-CD1 4.37Å; I1173-L1178 HydrophobicContact CG2-CD1 3.52Å; I1173-L1178 HydrophobicContact CG2-CG 4.29Å; S1174-L1178 PolarHBondContact O-N 2.96Å; S1174-L1178 VanDerWaalsContact O-N 3.13Å; S1175-L1178 PolarHBondContact O-N 3.25Å; L1178-Q1180 PolarHBondContact O-N 2.94Å; L1178-S1182 WeakPolarHBondContact CD2-OG 3.25Å; L1178-S1182 WeakPolarHBondContact O-CA 3.28Å; L1178-S1182 WeakPolarHBondContact O-CB 3.39Å; L1178-S1182 PolarHBondContact O-N 3.47Å; L1178-S1182 PolarHBondContact O-OG 2.94Å; L1178-Y1190 HydrophobicContact CD1-CD1 4.19Å; L1178-Y1190 HydrophobicContact CD1-CD2 3.49Å; L1178-Y1190 VanDerWaalsContact CD1-CD2 3.49Å; L1178-Y1190 HydrophobicContact CD1-CE2 4.17Å; L1178-Y1190 HydrophobicContact CD1-CG 3.49Å; L1178-Y1190 VanDerWaalsContact CD1-CG 3.49Å
1179	K	79.8	Confident	82.8	Confident	145 Å²	145	57.3 Å²	57.3	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-62.5	-28	177.9	-73	179.9	-179.6	-178.2	0	113.4	S1175 E1176	S1175-K1179 WeakPolarHBondContact O-CG 3.44Å; S1175-K1179 PolarHBondContact O-N 3.16Å; E1176-K1179 PolarHBondContact O-N 2.82Å
1180	Q	79.1	Confident	83.2	Confident	128 Å²	128	59 Å²	59	60%	0.598	28%	0.281	S	S	*	.	H	α-helix	trans	-88.2	-37.1	-176.7	-170.4	174.3	15.4	0	0	113.6	E1176 Q1177 L1178	E1176-Q1180 WeakPolarHBondContact O-CB 3.35Å; E1176-Q1180 PolarHBondContact O-N 2.88Å; E1176-Q1180 VanDerWaalsContact O-N 3.12Å; Q1177-Q1180 PolarHBondContact O-N 3.34Å; L1178-Q1180 PolarHBondContact O-N 2.94Å
1181	Y	76.5	Confident	83.4	Confident	120 Å²	120	61.8 Å²	61.8	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-117.6	-14.6	-168	-59.7	-73.5	0	0	0	114.7	T403 Q1177	T403-Y1181 WeakPolarHBondContact CB-O 3.47Å; T403-Y1181 PolarHBondContact OG1-O 3.04Å; Q1177-Y1181 HydrophobicContact CB-CD2 4.39Å; Q1177-Y1181 VanDerWaalsContact O-CD2 3.31Å; Q1177-Y1181 WeakPolarHBondContact O-CD2 3.35Å; Q1177-Y1181 PolarHBondContact O-N 3.42Å
1182	S	80.4	Confident	83.6	Confident	18 Å²	18	55 Å²	55	13%	0.126	26%	0.263	C	S	.	.	S	Bend	trans	-98.3	157.8	-173.4	-57	0	0	0	0	113.5	E1106 L1178	E1106-S1182 WeakPolarHBondContact CG-OG 3.42Å; E1106-S1182 VanDerWaalsContact OE1-CA 3.29Å; E1106-S1182 WeakPolarHBondContact OE1-CA 3.5Å; E1106-S1182 WeakPolarHBondContact OE1-CB 3.46Å; E1106-S1182 PolarHBondContact OE1-OG 3.12Å; L1178-S1182 WeakPolarHBondContact CD2-OG 3.25Å; L1178-S1182 WeakPolarHBondContact O-CA 3.28Å; L1178-S1182 WeakPolarHBondContact O-CB 3.39Å; L1178-S1182 PolarHBondContact O-N 3.47Å; L1178-S1182 PolarHBondContact O-OG 2.94Å
1183	C	81.9	Confident	83.7	Confident	7 Å²	7	51.1 Å²	51.1	5%	0.047	25%	0.246	C	C	.	.			trans	-75.4	164.3	172	67.1	0	0	0	0	111.8	L406 S1185 M1186 I1187	L406-C1183 HydrophobicContact CB-CB 4.34Å; C1183-S1185 VanDerWaalsContact C-N 3.28Å; C1183-S1185 PolarHBondContact O-N 2.86Å; C1183-M1186 PolarHBondContact O-N 3.4Å; C1183-M1186 VanDerWaalsContact SG-CG 3.59Å; C1183-I1187 PolarHBondContact O-N 3Å
1184	E	82.9	Confident	83.8	Confident	127 Å²	127	51.9 Å²	51.9	59%	0.593	25%	0.251	S	S	*	.	H	α-helix	trans	-57.7	-39.7	-177.5	-168.5	178.4	171.2	0	0	112.6	M1186 I1187 N1188	E1184-M1186 VanDerWaalsContact C-N 3.31Å; E1184-M1186 PolarHBondContact O-N 3.46Å; E1184-I1187 PolarHBondContact O-N 3Å; E1184-N1188 PolarHBondContact O-N 2.96Å; E1184-N1188 PolarHBondContact O-ND2 3.41Å; E1184-N1188 VanDerWaalsContact O-ND2 3.13Å
1185	S	85.2	Confident	83.8	Confident	19 Å²	19	50.1 Å²	50.1	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-34.8	177.4	-71	0	0	0	0	113.2	D1088 C1183 L1189	D1088-S1185 WeakPolarHBondContact CB-OG 3.48Å; D1088-S1185 PolarHBondContact N-OG 3.48Å; C1183-S1185 VanDerWaalsContact C-N 3.28Å; C1183-S1185 PolarHBondContact O-N 2.86Å; S1185-L1189 WeakPolarHBondContact O-CB 3.31Å; S1185-L1189 PolarHBondContact O-N 3.3Å
1186	M	84.7	Confident	83.9	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-73.3	-33.3	176.2	-74.1	-64	-74.8	0	0	112	L1091 I1095 E1106 L1109 L1110 C1183 E1184 L1189 Y1190	L1091-M1186 HydrophobicContact CD1-CG 4.38Å; L1091-M1186 HydrophobicContact CD2-CG 4.38Å; L1091-M1186 HydrophobicContact CD2-SD 3.87Å; I1095-M1186 HydrophobicContact CD1-SD 4.37Å; E1106-M1186 HydrophobicContact CB-CE 3.64Å; E1106-M1186 HydrophobicContact CG-CE 3.65Å; L1109-M1186 HydrophobicContact CD2-CE 3.98Å; L1109-M1186 WeakPolarHBondContact CD2-O 2.84Å; L1110-M1186 HydrophobicContact CG-CE 4.3Å; C1183-M1186 PolarHBondContact O-N 3.4Å; C1183-M1186 VanDerWaalsContact SG-CG 3.59Å; E1184-M1186 VanDerWaalsContact C-N 3.31Å; E1184-M1186 PolarHBondContact O-N 3.46Å; M1186-L1189 PolarHBondContact O-N 2.87Å; M1186-L1189 HydrophobicContact SD-CD2 4.07Å; M1186-Y1190 PolarHBondContact O-N 3.27Å
1187	I	85.5	Confident	83.8	Confident	42 Å²	42	41 Å²	41	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-46.2	173.1	-63.3	168.5	0	0	0	109.9	C1183 E1184 L1189 Y1190 E1191	C1183-I1187 PolarHBondContact O-N 3Å; E1184-I1187 PolarHBondContact O-N 3Å; I1187-L1189 VanDerWaalsContact C-N 3.3Å; I1187-L1189 PolarHBondContact O-N 2.93Å; I1187-Y1190 WeakPolarHBondContact O-CB 3.17Å; I1187-Y1190 PolarHBondContact O-N 2.91Å; I1187-Y1190 VanDerWaalsContact O-N 3.12Å; I1187-E1191 PolarHBondContact O-N 3.45Å
1188	N	85.5	Confident	83.8	Confident	9 Å²	9	39.5 Å²	39.5	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-37.1	175.6	-70.7	-46.4	0	0	0	112.1	K1086 I1087 E1184 Y1190 E1191 W1192	K1086-N1188 HydrophobicContact CB-CB 4.35Å; K1086-N1188 WeakPolarHBondContact CB-ND2 3.46Å; I1087-N1188 HydrophobicContact CG1-CB 3.98Å; E1184-N1188 PolarHBondContact O-N 2.96Å; E1184-N1188 PolarHBondContact O-ND2 3.41Å; E1184-N1188 VanDerWaalsContact O-ND2 3.13Å; N1188-Y1190 VanDerWaalsContact C-N 3.33Å; N1188-E1191 PolarHBondContact O-N 2.87Å; N1188-W1192 WeakPolarHBondContact O-CB 3.37Å; N1188-W1192 PolarHBondContact O-N 3.22Å
1189	L	86.8	Confident	83.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-38.2	174	-176.1	66.6	0	0	0	112.1	I1087 F1092 L1109 L1110 V1113 I1146 S1185 M1186 I1187 W1192 M1193	I1087-L1189 HydrophobicContact CD1-CB 4.16Å; I1087-L1189 HydrophobicContact CD1-CD1 3.88Å; F1092-L1189 HydrophobicContact CE1-CD2 3.91Å; F1092-L1189 HydrophobicContact CZ-CD1 4.1Å; F1092-L1189 HydrophobicContact CZ-CD2 3.78Å; L1109-L1189 HydrophobicContact CD2-CB 4.26Å; L1109-L1189 HydrophobicContact CD2-CD2 4.12Å; L1109-L1189 HydrophobicContact CD2-CG 4.19Å; L1109-L1189 HydrophobicContact CG-CD2 4.21Å; L1109-L1189 HydrophobicContact CG-CG 4.34Å; L1110-L1189 HydrophobicContact CD2-CD2 4.38Å; V1113-L1189 HydrophobicContact CG1-CD1 4.37Å; V1113-L1189 HydrophobicContact CG2-CD1 3.88Å; V1113-L1189 HydrophobicContact CG2-CD2 4.14Å; V1113-L1189 HydrophobicContact CG2-CG 3.95Å; I1146-L1189 HydrophobicContact CD1-CD1 3.67Å; S1185-L1189 WeakPolarHBondContact O-CB 3.31Å; S1185-L1189 PolarHBondContact O-N 3.3Å; M1186-L1189 PolarHBondContact O-N 2.87Å; M1186-L1189 HydrophobicContact SD-CD2 4.07Å; I1187-L1189 VanDerWaalsContact C-N 3.3Å; I1187-L1189 PolarHBondContact O-N 2.93Å; L1189-W1192 HydrophobicContact CD1-CE3 4.47Å; L1189-W1192 PolarHBondContact O-N 3.36Å; L1189-M1193 WeakPolarHBondContact O-CB 3.49Å; L1189-M1193 PolarHBondContact O-N 3.25Å
1190	Y	89	Confident	83.3	Confident	37 Å²	37	34.1 Å²	34.1	15%	0.145	16%	0.162	C	C	.	.	H	α-helix	trans	-66.6	-42.5	173.8	174.1	-101.7	0	0	0	112.4	L1109 Y1170 I1173 L1178 M1186 I1187 N1188 W1192 M1193 T1194	L1109-Y1190 HydrophobicContact CD1-CD2 4.24Å; Y1170-Y1190 HydrophobicContact CE2-CE2 4.23Å; I1173-Y1190 HydrophobicContact CB-CE2 4.2Å; I1173-Y1190 HydrophobicContact CG2-CD2 3.7Å; I1173-Y1190 HydrophobicContact CG2-CE2 3.56Å; L1178-Y1190 HydrophobicContact CD1-CD1 4.19Å; L1178-Y1190 HydrophobicContact CD1-CD2 3.49Å; L1178-Y1190 VanDerWaalsContact CD1-CD2 3.49Å; L1178-Y1190 HydrophobicContact CD1-CE2 4.17Å; L1178-Y1190 HydrophobicContact CD1-CG 3.49Å; L1178-Y1190 VanDerWaalsContact CD1-CG 3.49Å; M1186-Y1190 PolarHBondContact O-N 3.27Å; I1187-Y1190 WeakPolarHBondContact O-CB 3.17Å; I1187-Y1190 PolarHBondContact O-N 2.91Å; I1187-Y1190 VanDerWaalsContact O-N 3.12Å; N1188-Y1190 VanDerWaalsContact C-N 3.33Å; Y1190-W1192 VanDerWaalsContact C-N 3.35Å; Y1190-M1193 PolarHBondContact O-N 3.47Å; Y1190-T1194 WeakPolarHBondContact O-CB 3.18Å; Y1190-T1194 PolarHBondContact O-N 3.25Å; Y1190-T1194 PolarHBondContact O-OG1 3.27Å
1191	E	87.1	Confident	82.9	Confident	89 Å²	89	33.5 Å²	33.5	42%	0.416	16%	0.157	S	C	.	.	H	α-helix	trans	-62.6	-42.5	174.7	-70.4	-174.9	173.7	0	0	111.4	L1083 I1187 N1188 T1194 L1195	L1083-E1191 HydrophobicContact CD1-CB 4.21Å; L1083-E1191 HydrophobicContact CD2-CB 3.93Å; L1083-E1191 WeakPolarHBondContact CD2-OE2 3.47Å; I1187-E1191 PolarHBondContact O-N 3.45Å; N1188-E1191 PolarHBondContact O-N 2.87Å; E1191-T1194 WeakPolarHBondContact O-CB 3.29Å; E1191-T1194 PolarHBondContact O-N 3.25Å; E1191-L1195 WeakPolarHBondContact O-CB 3.49Å; E1191-L1195 PolarHBondContact O-N 3.5Å
1192	W	89.7	Confident	82.5	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-47.5	174.3	179.8	96.6	0	0	0	111.6	L1080 L1083 T1084 I1087 L1116 L1117 I1146 Y1149 N1188 L1189 Y1190 T1194 L1195 C1196	L1080-W1192 VanDerWaalsContact CD2-CD1 3.44Å; L1080-W1192 HydrophobicContact CD2-CD2 4.37Å; L1080-W1192 HydrophobicContact CD2-CG 3.99Å; L1083-W1192 HydrophobicContact CB-CB 4.24Å; L1083-W1192 HydrophobicContact CD1-CB 4.39Å; T1084-W1192 PolarHBondContact OG1-NE1 2.84Å; I1087-W1192 HydrophobicContact CD1-CB 4.44Å; L1116-W1192 HydrophobicContact CD2-CH2 3.64Å; L1116-W1192 HydrophobicContact CD2-CZ3 3.58Å; L1117-W1192 HydrophobicContact CD2-CH2 4.16Å; I1146-W1192 HydrophobicContact CB-CZ2 4.36Å; I1146-W1192 HydrophobicContact CG1-CH2 4.3Å; I1146-W1192 HydrophobicContact CG1-CZ2 4.46Å; I1146-W1192 HydrophobicContact CG2-CD2 4.2Å; I1146-W1192 HydrophobicContact CG2-CH2 4.38Å; I1146-W1192 HydrophobicContact CG2-CZ2 3.76Å; Y1149-W1192 AromaticContact CD1-CH2 3.73Å; Y1149-W1192 HydrophobicContact CD1-CH2 3.73Å; Y1149-W1192 AromaticContact CD1-CZ2 3.54Å; Y1149-W1192 HydrophobicContact CD1-CZ2 3.54Å; Y1149-W1192 HydrophobicContact CE1-CH2 4.22Å; Y1149-W1192 HydrophobicContact CE1-CZ2 4.35Å; Y1149-W1192 HydrophobicContact CG-CH2 4.13Å; Y1149-W1192 HydrophobicContact CG-CZ2 4.04Å; N1188-W1192 WeakPolarHBondContact O-CB 3.37Å; N1188-W1192 PolarHBondContact O-N 3.22Å; L1189-W1192 HydrophobicContact CD1-CE3 4.47Å; L1189-W1192 PolarHBondContact O-N 3.36Å; Y1190-W1192 VanDerWaalsContact C-N 3.35Å; W1192-T1194 PolarHBondContact O-N 2.94Å; W1192-L1195 WeakPolarHBondContact O-CB 3.5Å; W1192-L1195 PolarHBondContact O-N 3.26Å; W1192-C1196 PolarHBondContact O-N 3.28Å; W1192-C1196 PolarHBondContact O-SG 3.25Å; W1192-C1196 VanDerWaalsContact O-SG 3.4Å
1193	M	86.9	Confident	81.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-44.9	175.9	174.7	57.6	68.9	0	0	111.6	L1109 A1112 V1113 L1116 Y1170 L1189 Y1190 L1195 C1196 M1197	L1109-M1193 HydrophobicContact CD1-CB 4.03Å; L1109-M1193 HydrophobicContact CD1-CG 4.28Å; A1112-M1193 HydrophobicContact CB-CE 3.91Å; A1112-M1193 HydrophobicContact CB-SD 4.39Å; A1112-M1193 WeakPolarHBondContact O-CE 3.23Å; V1113-M1193 HydrophobicContact CB-CE 3.96Å; V1113-M1193 HydrophobicContact CG2-CE 3.41Å; V1113-M1193 VanDerWaalsContact CG2-CE 3.41Å; V1113-M1193 VanDerWaalsContact N-CE 3.26Å; L1116-M1193 HydrophobicContact CB-CE 4.03Å; L1116-M1193 HydrophobicContact CD2-CE 3.79Å; L1116-M1193 HydrophobicContact CD2-SD 4.08Å; L1116-M1193 HydrophobicContact CG-CE 4.46Å; Y1170-M1193 HydrophobicContact CD2-CG 4.14Å; Y1170-M1193 HydrophobicContact CE2-CG 4.27Å; L1189-M1193 WeakPolarHBondContact O-CB 3.49Å; L1189-M1193 PolarHBondContact O-N 3.25Å; Y1190-M1193 PolarHBondContact O-N 3.47Å; M1193-L1195 VanDerWaalsContact C-N 3.27Å; M1193-L1195 PolarHBondContact O-N 3.42Å; M1193-C1196 WeakPolarHBondContact O-CB 3.34Å; M1193-C1196 PolarHBondContact O-N 2.85Å; M1193-M1197 WeakPolarHBondContact O-CG 3.44Å; M1193-M1197 PolarHBondContact O-N 2.8Å; M1193-M1197 HydrophobicContact SD-CG 4.19Å
1194	T	86.3	Confident	79.8	Confident	28 Å²	28	35.8 Å²	35.8	17%	0.172	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-42.6	177.3	-60	0	0	0	0	111	Y1170 Y1190 E1191 W1192 M1197 I1198	Y1170-T1194 WeakPolarHBondContact OH-CG2 3.33Å; Y1170-T1194 PolarHBondContact OH-OG1 2.94Å; Y1190-T1194 WeakPolarHBondContact O-CB 3.18Å; Y1190-T1194 PolarHBondContact O-N 3.25Å; Y1190-T1194 PolarHBondContact O-OG1 3.27Å; E1191-T1194 WeakPolarHBondContact O-CB 3.29Å; E1191-T1194 PolarHBondContact O-N 3.25Å; W1192-T1194 PolarHBondContact O-N 2.94Å; T1194-M1197 PolarHBondContact O-N 2.97Å; T1194-I1198 HydrophobicContact CG2-CD1 3.97Å; T1194-I1198 VanDerWaalsContact O-CG1 3.3Å; T1194-I1198 WeakPolarHBondContact O-CG1 3.36Å; T1194-I1198 PolarHBondContact O-N 2.9Å
1195	L	85.1	Confident	77.7	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-45.5	178	-177.6	57.5	0	0	0	111.8	W869 E1079 L1080 L1083 E1191 W1192 M1193 M1197 I1198 I1199	W869-L1195 HydrophobicContact CH2-CD1 4.24Å; W869-L1195 HydrophobicContact CZ2-CD1 3.9Å; E1079-L1195 HydrophobicContact CB-CD2 3.75Å; E1079-L1195 HydrophobicContact CG-CD2 3.56Å; L1080-L1195 HydrophobicContact CD2-CB 4.13Å; L1080-L1195 HydrophobicContact CD2-CD2 3.64Å; L1080-L1195 HydrophobicContact CD2-CG 3.91Å; L1080-L1195 HydrophobicContact CG-CD2 3.59Å; L1080-L1195 HydrophobicContact CG-CG 4.12Å; L1083-L1195 HydrophobicContact CD1-CD2 3.98Å; E1191-L1195 WeakPolarHBondContact O-CB 3.49Å; E1191-L1195 PolarHBondContact O-N 3.5Å; W1192-L1195 WeakPolarHBondContact O-CB 3.5Å; W1192-L1195 PolarHBondContact O-N 3.26Å; M1193-L1195 VanDerWaalsContact C-N 3.27Å; M1193-L1195 PolarHBondContact O-N 3.42Å; L1195-M1197 VanDerWaalsContact C-N 3.3Å; L1195-M1197 PolarHBondContact O-N 3.01Å; L1195-I1198 PolarHBondContact O-N 3.42Å; L1195-I1199 HydrophobicContact CD1-CD1 4.25Å; L1195-I1199 HydrophobicContact CD1-CG1 4.39Å; L1195-I1199 HydrophobicContact CG-CD1 4.02Å; L1195-I1199 VanDerWaalsContact O-CG1 3.28Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.48Å; L1195-I1199 PolarHBondContact O-N 3.42Å
1196	C	83.3	Confident	75.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.4	-45	172.5	-71	0	0	0	0	111.8	L1116 Y1149 W1192 M1193 I1198 I1199 W1200	L1116-C1196 HydrophobicContact CD2-CB 4.09Å; Y1149-C1196 HydrophobicContact CE1-CB 4.49Å; W1192-C1196 PolarHBondContact O-N 3.28Å; W1192-C1196 PolarHBondContact O-SG 3.25Å; W1192-C1196 VanDerWaalsContact O-SG 3.4Å; M1193-C1196 WeakPolarHBondContact O-CB 3.34Å; M1193-C1196 PolarHBondContact O-N 2.85Å; C1196-I1198 PolarHBondContact O-N 3.05Å; C1196-I1199 PolarHBondContact O-N 3.24Å; C1196-W1200 PolarHBondContact O-N 2.73Å; C1196-W1200 VanDerWaalsContact O-N 3.08Å
1197	M	81.7	Confident	73	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-37.3	177.6	-68.9	-58.5	-68.5	0	0	113	L1166 N1167 Y1170 M1193 T1194 L1195 W1200 K1201	L1166-M1197 HydrophobicContact CD2-CE 4.29Å; L1166-M1197 HydrophobicContact CD2-SD 3.53Å; L1166-M1197 VanDerWaalsContact CD2-SD 3.53Å; L1166-M1197 HydrophobicContact CG-CE 4.48Å; L1166-M1197 HydrophobicContact CG-SD 4.08Å; N1167-M1197 WeakPolarHBondContact OD1-CE 3.38Å; Y1170-M1197 HydrophobicContact CD2-CG 4.07Å; Y1170-M1197 HydrophobicContact CE2-CG 4.17Å; Y1170-M1197 HydrophobicContact CG-CG 4.4Å; M1193-M1197 WeakPolarHBondContact O-CG 3.44Å; M1193-M1197 PolarHBondContact O-N 2.8Å; M1193-M1197 HydrophobicContact SD-CG 4.19Å; T1194-M1197 PolarHBondContact O-N 2.97Å; L1195-M1197 VanDerWaalsContact C-N 3.3Å; L1195-M1197 PolarHBondContact O-N 3.01Å; M1197-W1200 HydrophobicContact SD-CE3 4.38Å; M1197-K1201 WeakPolarHBondContact O-CG 3.28Å; M1197-K1201 PolarHBondContact O-N 2.98Å
1198	I	79.8	Confident	70.1	Confident	46 Å²	46	50.7 Å²	50.7	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-47.2	176.5	-69.2	165.8	0	0	0	110.8	R873 T1194 L1195 C1196 W1200 K1201 E1202	R873-I1198 VanDerWaalsContact NH1-CD1 3.25Å; T1194-I1198 HydrophobicContact CG2-CD1 3.97Å; T1194-I1198 VanDerWaalsContact O-CG1 3.3Å; T1194-I1198 WeakPolarHBondContact O-CG1 3.36Å; T1194-I1198 PolarHBondContact O-N 2.9Å; L1195-I1198 PolarHBondContact O-N 3.42Å; C1196-I1198 PolarHBondContact O-N 3.05Å; I1198-W1200 PolarHBondContact O-N 3.49Å; I1198-K1201 PolarHBondContact O-N 2.68Å; I1198-K1201 VanDerWaalsContact O-N 3.12Å; I1198-E1202 HydrophobicContact CG2-CG 4.43Å; I1198-E1202 PolarHBondContact O-N 3.12Å
1199	I	77.3	Confident	67.2	Low	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-43.2	178.6	-68.1	162.9	0	0	0	110.2	W869 A1076 L1080 P1151 F1152 L1195 C1196 E1202 N1203	W869-I1199 HydrophobicContact CH2-CG1 4.22Å; A1076-I1199 HydrophobicContact CB-CD1 3.77Å; A1076-I1199 HydrophobicContact CB-CG1 4.09Å; L1080-I1199 HydrophobicContact CD1-CD1 3.83Å; P1151-I1199 HydrophobicContact CB-CD1 4.38Å; P1151-I1199 HydrophobicContact CB-CG2 4.13Å; P1151-I1199 HydrophobicContact CG-CD1 3.84Å; P1151-I1199 HydrophobicContact CG-CG2 4.28Å; F1152-I1199 HydrophobicContact CD1-CG2 4.09Å; F1152-I1199 HydrophobicContact CD2-CG2 4.44Å; F1152-I1199 HydrophobicContact CE1-CG2 3.52Å; F1152-I1199 HydrophobicContact CE2-CD1 4.25Å; F1152-I1199 HydrophobicContact CE2-CG2 3.92Å; F1152-I1199 HydrophobicContact CZ-CB 4.48Å; F1152-I1199 HydrophobicContact CZ-CD1 4.29Å; F1152-I1199 HydrophobicContact CZ-CG1 4.26Å; F1152-I1199 HydrophobicContact CZ-CG2 3.42Å; F1152-I1199 VanDerWaalsContact CZ-CG2 3.42Å; L1195-I1199 HydrophobicContact CD1-CD1 4.25Å; L1195-I1199 HydrophobicContact CD1-CG1 4.39Å; L1195-I1199 HydrophobicContact CG-CD1 4.02Å; L1195-I1199 VanDerWaalsContact O-CG1 3.28Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.48Å; L1195-I1199 PolarHBondContact O-N 3.42Å; C1196-I1199 PolarHBondContact O-N 3.24Å; I1199-E1202 PolarHBondContact O-N 2.96Å; I1199-N1203 WeakPolarHBondContact O-CB 3.36Å; I1199-N1203 PolarHBondContact O-N 3Å; I1199-N1203 PolarHBondContact O-ND2 2.84Å
1200	W	74.1	Confident	66.2	Low	30 Å²	30	58.1 Å²	58.1	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-44.5	175.3	-79.8	7.7	0	0	0	113.7	L1116 Y1149 P1151 I1158 L1166 C1196 M1197 I1198 E1202 N1203 F1204	L1116-W1200 HydrophobicContact CD1-CH2 3.21Å; L1116-W1200 HydrophobicContact CD1-CZ2 3.51Å; L1116-W1200 HydrophobicContact CD1-CZ3 3.96Å; Y1149-W1200 WeakPolarHBondContact OH-CZ2 3.5Å; P1151-W1200 PolarHBondContact O-NE1 3.13Å; I1158-W1200 HydrophobicContact CD1-CH2 3.04Å; I1158-W1200 HydrophobicContact CD1-CZ2 3.28Å; I1158-W1200 HydrophobicContact CD1-CZ3 4.1Å; I1158-W1200 HydrophobicContact CG1-CH2 4.41Å; L1166-W1200 HydrophobicContact CD2-CE3 4.37Å; L1166-W1200 HydrophobicContact CD2-CH2 3.96Å; L1166-W1200 HydrophobicContact CD2-CZ3 3.46Å; L1166-W1200 VanDerWaalsContact CD2-CZ3 3.46Å; C1196-W1200 PolarHBondContact O-N 2.73Å; C1196-W1200 VanDerWaalsContact O-N 3.08Å; M1197-W1200 HydrophobicContact SD-CE3 4.38Å; I1198-W1200 PolarHBondContact O-N 3.49Å; W1200-E1202 VanDerWaalsContact C-N 3.31Å; W1200-E1202 PolarHBondContact O-N 3.48Å; W1200-N1203 PolarHBondContact O-N 3.29Å; W1200-F1204 WeakPolarHBondContact O-CB 3.48Å; W1200-F1204 PolarHBondContact O-N 3.24Å
1201	K	71.4	Confident	65	Low	114 Å²	114	59.2 Å²	59.2	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-40.7	177.4	-77.1	179.9	-178.8	179.9	0	111.7	M1197 I1198	M1197-K1201 WeakPolarHBondContact O-CG 3.28Å; M1197-K1201 PolarHBondContact O-N 2.98Å; I1198-K1201 PolarHBondContact O-N 2.68Å; I1198-K1201 VanDerWaalsContact O-N 3.12Å
1202	E	67.2	Low	63.8	Low	61 Å²	61	57.5 Å²	57.5	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-75.1	-38.2	179.4	-70	-167.9	166.4	0	0	112.6	W869 K872 I1198 I1199 W1200 F1204 L1205 M1206	W869-E1202 WeakPolarHBondContact CZ3-OE2 3.42Å; K872-E1202 IonicContact NZ-OE1 3.92Å; K872-E1202 PolarHBondContact NZ-OE1 3.28Å; I1198-E1202 HydrophobicContact CG2-CG 4.43Å; I1198-E1202 PolarHBondContact O-N 3.12Å; I1199-E1202 PolarHBondContact O-N 2.96Å; W1200-E1202 VanDerWaalsContact C-N 3.31Å; W1200-E1202 PolarHBondContact O-N 3.48Å; E1202-F1204 VanDerWaalsContact C-N 3.33Å; E1202-F1204 PolarHBondContact O-N 2.94Å; E1202-L1205 WeakPolarHBondContact O-CB 3.44Å; E1202-L1205 PolarHBondContact O-N 2.93Å; E1202-M1206 WeakPolarHBondContact O-CG 3.36Å; E1202-M1206 PolarHBondContact O-N 2.87Å
1203	N	60.5	Low	62.3	Low	33 Å²	33	60.8 Å²	60.8	18%	0.176	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-32.7	174.8	-76.7	-20.4	0	0	0	112.5	F1152 E1155 I1199 W1200 L1205 M1206 H1207	F1152-N1203 VanDerWaalsContact CD1-ND2 3.28Å; F1152-N1203 WeakPolarHBondContact CD1-ND2 3.45Å; F1152-N1203 WeakPolarHBondContact CE1-ND2 3.41Å; E1155-N1203 WeakPolarHBondContact OE1-CB 3.4Å; I1199-N1203 WeakPolarHBondContact O-CB 3.36Å; I1199-N1203 PolarHBondContact O-N 3Å; I1199-N1203 PolarHBondContact O-ND2 2.84Å; W1200-N1203 PolarHBondContact O-N 3.29Å; N1203-L1205 VanDerWaalsContact C-N 3.26Å; N1203-L1205 PolarHBondContact O-N 2.94Å; N1203-M1206 WeakPolarHBondContact O-CA 3.4Å; N1203-M1206 VanDerWaalsContact O-CB 3.27Å; N1203-M1206 WeakPolarHBondContact O-CB 3.42Å; N1203-M1206 PolarHBondContact O-N 2.91Å; N1203-H1207 PolarHBondContact O-N 3.48Å
1204	F	45.7	Very low	60.8	Low	99 Å²	99	64.6 Å²	64.6	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-32	176.1	-144.5	-89.7	0	0	0	112.6	W1200 E1202 M1206 H1208	W1200-F1204 WeakPolarHBondContact O-CB 3.48Å; W1200-F1204 PolarHBondContact O-N 3.24Å; E1202-F1204 VanDerWaalsContact C-N 3.33Å; E1202-F1204 PolarHBondContact O-N 2.94Å; F1204-M1206 VanDerWaalsContact C-N 3.25Å; F1204-M1206 PolarHBondContact O-N 2.92Å; F1204-H1208 AromaticContact CD1-CD2 3.71Å; F1204-H1208 AromaticContact CE1-CD2 3.7Å; F1204-H1208 AromaticContact CE1-NE2 3.5Å; F1204-H1208 PolarHBondContact O-CD2 3.41Å
1205	L	39.5	Very low	59.1	Low	127 Å²	127	67 Å²	67	67%	0.665	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-24.9	170.6	-88.4	150.8	0	0	0	112.2	E1202 N1203 H1208	E1202-L1205 WeakPolarHBondContact O-CB 3.44Å; E1202-L1205 PolarHBondContact O-N 2.93Å; N1203-L1205 VanDerWaalsContact C-N 3.26Å; N1203-L1205 PolarHBondContact O-N 2.94Å; L1205-H1208 PolarHBondContact O-N 3.49Å
1206	M	38.8	Very low	57.2	Low	97 Å²	97	71.6 Å²	71.6	48%	0.478	38%	0.379	S	S	.	.	H	α-helix	trans	-77.9	-21.1	-178.1	-64.5	-84.8	-82.8	0	0	113.7	K1069 E1202 N1203 F1204	K1069-M1206 HydrophobicContact CD-CE 3.86Å; K1069-M1206 HydrophobicContact CD-SD 4.26Å; E1202-M1206 WeakPolarHBondContact O-CG 3.36Å; E1202-M1206 PolarHBondContact O-N 2.87Å; N1203-M1206 WeakPolarHBondContact O-CA 3.4Å; N1203-M1206 VanDerWaalsContact O-CB 3.27Å; N1203-M1206 WeakPolarHBondContact O-CB 3.42Å; N1203-M1206 PolarHBondContact O-N 2.91Å; F1204-M1206 VanDerWaalsContact C-N 3.25Å; F1204-M1206 PolarHBondContact O-N 2.92Å
1207	H	31.3	Very low	55.2	Low	145 Å²	145	77.1 Å²	77.1	67%	0.671	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3	169.5	-82.2	-60	0	0	0	113.6	E1155 N1203	E1155-H1207 IonicContact OE1-CD2 2.83Å; E1155-H1207 IonicContact OE2-CD2 2.87Å; E1155-H1207 PolarHBondContact OE2-CD2 2.89Å; E1155-H1207 IonicContact OE2-NE2 2.65Å; E1155-H1207 PolarHBondContact OE2-NE2 3.24Å; N1203-H1207 PolarHBondContact O-N 3.48Å
1208	H	25.9	Very low	53	Low	135 Å²	135	82.9 Å²	82.9	63%	0.625	44%	0.44	S	S	*	.			trans	-113.6	14.7	-179.8	-78.8	-51.6	0	0	0	115.1	F1204 L1205	F1204-H1208 AromaticContact CD1-CD2 3.71Å; F1204-H1208 AromaticContact CE1-CD2 3.7Å; F1204-H1208 AromaticContact CE1-NE2 3.5Å; F1204-H1208 PolarHBondContact O-CD2 3.41Å; L1205-H1208 PolarHBondContact O-N 3.49Å
1209	G	24.4	Very low	50.6	Low	105 Å²	105	86.3 Å²	86.3	100%	1.082	46%	0.458	S	S	*	.			trans	-145.1	0	170.9	0	0	0	0	0	112

Retrieved 1,209 of 1,209 residues in 901.5 ms (Link to these results)

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