A0A3Q0KPQ9_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB (A0A3Q0KPM1), UniProt , Accession A0A3Q0KPQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 806 aa.

						>A0A3Q0KPQ9_SCHMA|A0A3Q0KPQ9
MIVVRHNTGFSSRDVLLNGGYIGCLYQEVCLTGEICHNDSLFGRCVPDNVQDHLFDAGYSQMYKLKSLPLFNKPQKYNWADTTLQCLLRAMILEYESHSIFVDPKSFCLYQYDIEDGDNIDGQFHSQYVKRDVRKNRGYPNFMLSNPLKTIKPYYFPENSYEHMNNDNDYNRWTDNPINKGKNAEMKNNEELDHFSKNIQQMIRLSGNYENNENIEFDGEQELANRLTDDSNKDNGDMADKLNQDYLLSGKYMQEPLLGEKLPSESQAQQQEETIIPSKSVTRLRAQKVGSGSYKPLERRWIWVKFVNGPITNQEAQLILLKISHDLKLTSPISFFFLDKSRRVLYFHVPSSAGVSADTIVDALNTKMNSIDGYSIEDVGFGRGAVNTVNTHSSTNAPTESPQPSLLHRSVDGETLRKTGQVKWEKYTMTIVLCSTILTAVVILTAIYIVQICRTKRKSKSESNEKLSCQSDDSPHLERKKLSHNNNLSGSQQSSVSSWSSEPIPCSIDVPTGHIILSYMEKHLQDRNQLTEDWNSIDKYVSEESILYEEGKNPKNQSKNRGCAPIPYDQSRVKLRSGDNDYINASLLYDTNPRNPVYIATITPTVKSVPDFWLMVWEQGCVVIVCLERTDELKRMDEIDQFELNDASVKYWPNEGSQVYGSFEVHLVSEHSWSDNYIIRSFYLKSIVTNETRTVTQFHYLTWKDENLMENSKPMLEFRRKVNRSFRGIMSPIVVHCCDGCGRTGAYILLDLVLNRITKGVKEIDIAASLEHLRDQRPNMIKTLEQYEFVLSSTAEEVDAMLQPST
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.4	Very low	26.3	Very low	239 Å²	239	133.1 Å²	133.1	100%	1.177	71%	0.708	S	S	*	*				0	121.6	0	-93.2	-177.9	-112.7	0	0	105.8
2	I	28.2	Very low	27.1	Very low	159 Å²	159	126.9 Å²	126.9	82%	0.815	68%	0.683	S	S	*	*			cis	-95.6	117.4	17.3	-62.2	167.5	0	0	0	110.3	V4	I2-V4 HydrophobicContact CG2-CG2 3.71Å
3	V	22.6	Very low	27.8	Very low	121 Å²	121	129.2 Å²	129.2	73%	0.733	68%	0.676	S	S	*	*			trans	-83.8	105.8	162.5	172.6	0	0	0	0	105.4	R5	V3-R5 PolarHBondContact O-N 2.95Å
4	V	29.7	Very low	28.1	Very low	112 Å²	112	126.1 Å²	126.1	68%	0.679	66%	0.66	S	S	*	*			trans	-85.4	105.6	160.7	-175.7	0	0	0	0	106	I2 H6	I2-V4 HydrophobicContact CG2-CG2 3.71Å; V4-H6 PolarHBondContact O-N 3.24Å
5	R	24.6	Very low	28.8	Very low	173 Å²	173	120.7 Å²	120.7	65%	0.653	63%	0.634	S	S	*	*			trans	-58.7	107.1	168.5	-91.8	178.9	167.9	165.8	-4.5	108.2	V3 N7	V3-R5 PolarHBondContact O-N 2.95Å; R5-N7 PolarHBondContact O-N 3.34Å
6	H	26.3	Very low	29.9	Very low	132 Å²	132	113.5 Å²	113.5	61%	0.611	60%	0.597	S	S	*	*			trans	-66.2	104	154	-84.3	-99.4	0	0	0	107.2	V4 G9	V4-H6 PolarHBondContact O-N 3.24Å; H6-G9 PolarHBondContact ND1-O 3.28Å
7	N	25.8	Very low	30.8	Very low	142 Å²	142	111.4 Å²	111.4	76%	0.759	59%	0.586	S	S	*	*			trans	-89	109	150.6	-97.4	-0.7	0	0	0	106.2	R5	R5-N7 PolarHBondContact O-N 3.34Å
8	T	25.9	Very low	31.6	Very low	134 Å²	134	111.5 Å²	111.5	82%	0.822	59%	0.587	S	S	*	*	S	Bend	trans	71.4	120.3	168.9	70.5	0	0	0	0	116.4
9	G	25.9	Very low	32.8	Very low	56 Å²	56	108.1 Å²	108.1	58%	0.577	58%	0.581	S	S	*	*	S	Bend	trans	109.1	127.7	160.2	0	0	0	0	0	114.3	H6	H6-G9 PolarHBondContact ND1-O 3.28Å
10	F	26.1	Very low	34.3	Very low	159 Å²	159	103.3 Å²	103.3	70%	0.697	56%	0.558	S	S	*	*			trans	-40.4	139.9	177	-84.6	-107.8	0	0	0	113.9
11	S	27.6	Very low	36.3	Very low	37 Å²	37	101.8 Å²	101.8	26%	0.259	55%	0.545	S	S	.	.			trans	-79.1	134.3	172.1	94.1	0	0	0	0	109.5	R13 D14	S11-R13 PolarHBondContact O-N 3.39Å; S11-D14 PolarHBondContact O-N 3.46Å; S11-D14 PolarHBondContact OG-OD2 2.79Å
12	S	36.2	Very low	38.9	Very low	59 Å²	59	90.6 Å²	90.6	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-48	-22.5	175.1	-165.7	0	0	0	0	114	D14 V15 E96	S12-D14 PolarHBondContact O-N 3.46Å; S12-V15 PolarHBondContact O-N 3.26Å; S12-E96 PolarHBondContact OG-OE2 3.06Å
13	R	36.1	Very low	41.5	Very low	157 Å²	157	83 Å²	83	59%	0.592	45%	0.451	S	S	*	.	H	α-helix	trans	-69.2	-30	179.6	-69.7	178.8	173.7	170.3	-2.7	113.8	S11 V15	S11-R13 PolarHBondContact O-N 3.39Å; R13-V15 VanDerWaalsContact C-N 3.34Å
14	D	32.6	Very low	44.4	Very low	85 Å²	85	78.1 Å²	78.1	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-77	-24	-179.2	-64.6	-52.6	0	0	0	111.9	S11 S12 N18	S11-D14 PolarHBondContact O-N 3.46Å; S11-D14 PolarHBondContact OG-OD2 2.79Å; S12-D14 PolarHBondContact O-N 3.46Å; D14-N18 WeakPolarHBondContact O-CB 3.32Å; D14-N18 PolarHBondContact O-N 2.93Å
15	V	37.7	Very low	47	Very low	45 Å²	45	76.1 Å²	76.1	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-77.7	-38.1	179.3	-178	0	0	0	0	111.4	S12 R13 G19	S12-V15 PolarHBondContact O-N 3.26Å; R13-V15 VanDerWaalsContact C-N 3.34Å; V15-G19 PolarHBondContact O-N 3.47Å
16	L	46.8	Very low	49.7	Very low	6 Å²	6	72 Å²	72	3%	0.031	39%	0.392	C	S	.	.	H	α-helix	trans	-75	-28.7	-179	-101.6	152	0	0	0	114.9	I92 L93 E96	L16-I92 HydrophobicContact CD1-CG2 3.58Å; L16-I92 HydrophobicContact CD2-CB 3.79Å; L16-I92 HydrophobicContact CD2-CG2 3.47Å; L16-I92 VanDerWaalsContact CD2-CG2 3.47Å; L16-I92 HydrophobicContact CG-CG2 4.08Å; L16-L93 HydrophobicContact CB-CD1 4.18Å; L16-L93 HydrophobicContact CB-CG 4.16Å; L16-L93 HydrophobicContact CD1-CG 4.49Å; L16-L93 HydrophobicContact CD2-CD1 4.4Å; L16-L93 HydrophobicContact CD2-CG 4.43Å; L16-E96 HydrophobicContact CD1-CG 3.99Å; L16-E96 WeakPolarHBondContact CD1-OE1 3.34Å; L16-E96 WeakPolarHBondContact CD1-OE2 3.46Å
17	L	44.7	Very low	52.3	Low	78 Å²	78	69 Å²	69	41%	0.408	38%	0.378	S	S	.	.	H	α-helix	trans	-89.6	-21.7	178.1	-70.2	164.4	0	0	0	112.1	L93 F107	L17-L93 HydrophobicContact CD2-CD1 3.93Å; L17-L93 HydrophobicContact CG-CD1 4.27Å; L17-L93 HydrophobicContact CG-CD2 4.45Å; L17-F107 HydrophobicContact CD2-CE2 3.82Å; L17-F107 HydrophobicContact CD2-CZ 3.92Å
18	N	46.7	Very low	55	Low	113 Å²	113	71.4 Å²	71.4	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-134.9	15.3	-172	-72.8	-36.6	0	0	0	117.5	D14	D14-N18 WeakPolarHBondContact O-CB 3.32Å; D14-N18 PolarHBondContact O-N 2.93Å
19	G	53.8	Low	57.7	Low	46 Å²	46	65.6 Å²	65.6	47%	0.474	35%	0.349	S	S	.	.	S	Bend	trans	-163	122.8	-179.9	0	0	0	0	0	117.9	V15	V15-G19 PolarHBondContact O-N 3.47Å
20	G	63.3	Low	60.3	Low	12 Å²	12	64.4 Å²	64.4	12%	0.124	33%	0.332	C	S	.	.			trans	99.8	137.4	165.4	0	0	0	0	0	116.3	C45 R89	G20-C45 WeakPolarHBondContact CA-O 3.42Å; G20-R89 PolarHBondContact O-NH2 3.49Å
21	Y	75.4	Confident	62.7	Low	73 Å²	73	60.4 Å²	60.4	29%	0.286	32%	0.317	S	S	.	.			trans	-70.9	143.2	161.5	-82.7	-96.8	0	0	0	110.3	V29 C45 Q85	Y21-V29 HydrophobicContact CD1-CB 4.36Å; Y21-V29 HydrophobicContact CG-CB 4.28Å; Y21-C45 PolarHBondContact O-N 2.79Å; Y21-C45 PolarHBondContact O-SG 3.19Å; Y21-Q85 HydrophobicContact CD1-CG 3.62Å; Y21-Q85 HydrophobicContact CE1-CG 3.81Å
22	I	81.4	Confident	65.1	Low	4 Å²	4	66.2 Å²	66.2	2%	0.021	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-98.3	141.9	174.8	-59.8	162.5	0	0	0	108.4	F42 G43 Q85 L88 R89 I92	I22-F42 HydrophobicContact CG2-CB 3.31Å; I22-F42 HydrophobicContact CG2-CD2 3.64Å; I22-F42 HydrophobicContact CG2-CG 3.67Å; I22-G43 CarbonylContact C-O 3.59Å; I22-G43 WeakPolarHBondContact CA-O 3.5Å; I22-Q85 PolarHBondContact O-NE2 2.79Å; I22-L88 HydrophobicContact CB-CD1 4.21Å; I22-L88 HydrophobicContact CD1-CB 3.77Å; I22-L88 HydrophobicContact CG2-CB 4.37Å; I22-L88 HydrophobicContact CG2-CD1 3.96Å; I22-R89 HydrophobicContact CD1-CG 3.65Å; I22-I92 HydrophobicContact CD1-CD1 3.64Å; I22-I92 HydrophobicContact CG1-CD1 4.4Å; I22-I92 HydrophobicContact CG2-CD1 4.48Å
23	G	82.2	Confident	66.9	Low	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.353	C	S	.	.			trans	108.8	8.9	177.7	0	0	0	0	0	115.1	L25 Y26 Q27 F42 G43	G23-L25 PolarHBondContact O-N 2.62Å; G23-L25 VanDerWaalsContact O-N 3.09Å; G23-Y26 PolarHBondContact O-N 3.05Å; G23-Q27 PolarHBondContact O-N 3.24Å; G23-F42 CarbonylContact C-O 3.56Å; G23-F42 WeakPolarHBondContact CA-O 3.37Å; G23-F42 PolarHBondContact N-O 3.36Å; G23-G43 PolarHBondContact N-O 3.01Å
24	C	84.9	Confident	69	Low	17 Å²	17	58.9 Å²	58.9	12%	0.115	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.6	-176.1	69.9	0	0	0	0	114.5	Y26 Q27 V29 C30 C36 F42 G43 R44 C45	C24-Y26 VanDerWaalsContact C-N 3.28Å; C24-Q27 WeakPolarHBondContact CA-O 3.5Å; C24-V29 HydrophobicContact CB-CG2 3.97Å; C24-C30 WeakPolarHBondContact CB-SG 2.96Å; C24-C36 HydrophobicContact CB-CB 3.61Å; C24-C36 WeakPolarHBondContact CB-SG 3.47Å; C24-C36 PolarHBondContact O-SG 2.77Å; C24-C36 VanDerWaalsContact O-SG 3.36Å; C24-C36 WeakPolarHBondContact SG-CA 3.22Å; C24-C36 WeakPolarHBondContact SG-CB 3.33Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 3.48Å; C24-F42 PolarHBondContact N-O 3.07Å; C24-G43 WeakPolarHBondContact SG-CA 3.4Å; C24-R44 VanDerWaalsContact SG-C 3.56Å; C24-R44 PolarHBondContact SG-N 3.37Å; C24-C45 VanDerWaalsContact CB-SG 3.58Å
25	L	82.6	Confident	71.2	Confident	70 Å²	70	58.5 Å²	58.5	37%	0.366	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.1	170.5	-67	173.3	0	0	0	113.1	G23 N38 F42	G23-L25 PolarHBondContact O-N 2.62Å; G23-L25 VanDerWaalsContact O-N 3.09Å; L25-N38 HydrophobicContact CD1-CB 4.32Å; L25-N38 VanDerWaalsContact CD1-OD1 3.23Å; L25-N38 WeakPolarHBondContact CD1-OD1 3.21Å; L25-N38 HydrophobicContact CD2-CB 3.92Å; L25-F42 WeakPolarHBondContact CB-O 3.17Å; L25-F42 PolarHBondContact N-O 2.94Å; L25-F42 VanDerWaalsContact N-O 3.11Å
26	Y	82.9	Confident	73.4	Confident	87 Å²	87	59.1 Å²	59.1	34%	0.341	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-29.6	-175.1	-59.5	-65	0	0	0	113.4	G23 C24 L41 F42 F71 P74 W79	G23-Y26 PolarHBondContact O-N 3.05Å; C24-Y26 VanDerWaalsContact C-N 3.28Å; Y26-L41 PolarHBondContact OH-O 2.77Å; Y26-F42 AromaticContact CE2-CD1 3.98Å; Y26-F42 HydrophobicContact CE2-CD1 3.98Å; Y26-F71 WeakPolarHBondContact OH-CE1 3.29Å; Y26-P74 HydrophobicContact CD1-CB 3.41Å; Y26-P74 VanDerWaalsContact CD1-CB 3.41Å; Y26-P74 HydrophobicContact CD1-CG 3.7Å; Y26-P74 HydrophobicContact CD2-CB 4.33Å; Y26-P74 HydrophobicContact CE1-CB 3.87Å; Y26-P74 HydrophobicContact CE1-CG 3.91Å; Y26-P74 HydrophobicContact CG-CB 3.68Å; Y26-P74 HydrophobicContact CG-CG 4.46Å; Y26-W79 HydrophobicContact CD2-CD2 4.46Å; Y26-W79 AromaticContact CD2-CE2 3.79Å; Y26-W79 AromaticContact CD2-CH2 3.6Å; Y26-W79 HydrophobicContact CD2-CH2 3.6Å; Y26-W79 AromaticContact CD2-CZ2 3.32Å; Y26-W79 HydrophobicContact CD2-CZ2 3.32Å; Y26-W79 HydrophobicContact CD2-CZ3 4.27Å; Y26-W79 AromaticContact CE2-CH2 3.92Å; Y26-W79 HydrophobicContact CE2-CH2 3.92Å; Y26-W79 AromaticContact CE2-CZ2 3.95Å; Y26-W79 HydrophobicContact CE2-CZ2 3.95Å; Y26-W79 AromaticContact CG-CZ2 3.87Å; Y26-W79 HydrophobicContact CG-CZ2 3.87Å
27	Q	80.4	Confident	74.8	Confident	70 Å²	70	62.1 Å²	62.1	33%	0.327	35%	0.345	S	S	.	.	S	Bend	trans	-149	143.5	178.6	-177.4	177.7	-11.4	0	0	109.2	G23 C24 V29 N78 W79	G23-Q27 PolarHBondContact O-N 3.24Å; C24-Q27 WeakPolarHBondContact CA-O 3.5Å; Q27-V29 HydrophobicContact CB-CG1 4.18Å; Q27-V29 HydrophobicContact CG-CG1 4.08Å; Q27-V29 PolarHBondContact O-N 3.29Å; Q27-N78 PolarHBondContact NE2-OD1 3.17Å; Q27-W79 HydrophobicContact CB-CB 4.07Å; Q27-W79 HydrophobicContact CB-CG 4.21Å
28	E	82.2	Confident	76.4	Confident	191 Å²	191	63 Å²	63	89%	0.893	35%	0.35	S	S	*	.			trans	-67.6	96.6	174.6	-168.4	174.2	-170	0	0	109.7
29	V	82.4	Confident	77.4	Confident	12 Å²	12	58.2 Å²	58.2	7%	0.073	33%	0.325	C	S	.	.			trans	-119.4	-5.2	-179.4	-64.1	0	0	0	0	112.9	Y21 C24 Q27 W79 A80	Y21-V29 HydrophobicContact CD1-CB 4.36Å; Y21-V29 HydrophobicContact CG-CB 4.28Å; C24-V29 HydrophobicContact CB-CG2 3.97Å; Q27-V29 HydrophobicContact CB-CG1 4.18Å; Q27-V29 HydrophobicContact CG-CG1 4.08Å; Q27-V29 PolarHBondContact O-N 3.29Å; V29-W79 HydrophobicContact CG1-CB 3.81Å; V29-A80 HydrophobicContact CG1-CB 4.33Å
30	C	81.2	Confident	78	Confident	32 Å²	32	59.4 Å²	59.4	22%	0.216	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.3	178.1	-60.1	0	0	0	0	111	C24 E34 C45	C24-C30 WeakPolarHBondContact CB-SG 2.96Å; C30-E34 HydrophobicContact CB-CB 4.05Å; C30-C45 WeakPolarHBondContact CA-SG 3.19Å; C30-C45 HydrophobicContact CB-CB 3.69Å; C30-C45 WeakPolarHBondContact CB-SG 3.35Å; C30-C45 PolarHBondContact N-SG 2.03Å; C30-C45 WeakPolarHBondContact SG-CA 3.39Å; C30-C45 WeakPolarHBondContact SG-CB 3.34Å; C30-C45 CovalentContact SG-SG 2.04Å; C30-C45 PolarHBondContact SG-SG 2.93Å
31	L	76.9	Confident	78.4	Confident	74 Å²	74	58.9 Å²	58.9	39%	0.387	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-84.2	163.3	178.5	-61.7	170.2	0	0	0	110.6	G33 E34 Y128	L31-G33 PolarHBondContact O-N 2.95Å; L31-G33 VanDerWaalsContact O-N 3.12Å; L31-E34 PolarHBondContact N-OE2 2.7Å; L31-E34 WeakPolarHBondContact O-CB 3.4Å; L31-E34 PolarHBondContact O-N 3.21Å; L31-Y128 HydrophobicContact CD1-CD1 3.5Å; L31-Y128 VanDerWaalsContact CD1-CD1 3.5Å; L31-Y128 HydrophobicContact CD1-CE1 3.85Å
32	T	76.8	Confident	78.4	Confident	159 Å²	159	55.4 Å²	55.4	98%	0.975	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	117.7	177.5	-44.2	0	0	0	0	110.8
33	G	74.8	Confident	78.2	Confident	43 Å²	43	55.2 Å²	55.2	44%	0.443	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	0.2	-175.1	0	0	0	0	0	114.6	L31 D48	L31-G33 PolarHBondContact O-N 2.95Å; L31-G33 VanDerWaalsContact O-N 3.12Å; G33-D48 PolarHBondContact O-N 3.35Å
34	E	78.8	Confident	78	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.8	168.6	-60.4	-179.3	139.1	0	0	110.8	C30 L31 C45 V46 Y128	C30-E34 HydrophobicContact CB-CB 4.05Å; L31-E34 PolarHBondContact N-OE2 2.7Å; L31-E34 WeakPolarHBondContact O-CB 3.4Å; L31-E34 PolarHBondContact O-N 3.21Å; E34-C45 HydrophobicContact CB-CB 4.07Å; E34-C45 HydrophobicContact CG-CB 4.46Å; E34-C45 VanDerWaalsContact OE2-CB 3.25Å; E34-C45 WeakPolarHBondContact OE2-CB 3.34Å; E34-V46 CarbonylContact C-O 3.59Å; E34-V46 WeakPolarHBondContact CA-O 3.24Å; E34-Y128 HydrophobicContact CG-CE1 4.34Å; E34-Y128 VanDerWaalsContact OE1-CE1 3.23Å; E34-Y128 WeakPolarHBondContact OE1-CE1 3.16Å
35	I	80.4	Confident	77.7	Confident	77 Å²	77	56 Å²	56	40%	0.395	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.5	168.5	46.4	168	0	0	0	110	H37 C45 V46 D48	I35-H37 PolarHBondContact O-N 2.9Å; I35-C45 WeakPolarHBondContact O-CA 3.47Å; I35-V46 HydrophobicContact CD1-CG2 4.2Å; I35-V46 HydrophobicContact CG1-CG2 3.76Å; I35-V46 WeakPolarHBondContact CG1-O 3.18Å; I35-V46 PolarHBondContact N-O 3.36Å; I35-V46 PolarHBondContact O-N 3.37Å; I35-D48 WeakPolarHBondContact CG2-OD1 3.26Å
36	C	82.4	Confident	77.3	Confident	57 Å²	57	54 Å²	54	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	105.6	171.4	-178.3	0	0	0	0	110.3	C24	C24-C36 HydrophobicContact CB-CB 3.61Å; C24-C36 WeakPolarHBondContact CB-SG 3.47Å; C24-C36 PolarHBondContact O-SG 2.77Å; C24-C36 VanDerWaalsContact O-SG 3.36Å; C24-C36 WeakPolarHBondContact SG-CA 3.22Å; C24-C36 WeakPolarHBondContact SG-CB 3.33Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 3.48Å
37	H	77.8	Confident	77	Confident	69 Å²	69	52.5 Å²	52.5	32%	0.319	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.6	172.9	-178.8	-79	0	0	0	110.5	I35 D39 G43 R44 V46	I35-H37 PolarHBondContact O-N 2.9Å; H37-D39 PolarHBondContact O-N 3.2Å; H37-G43 CarbonylContact O-C 3.53Å; H37-G43 VanDerWaalsContact O-CA 3.26Å; H37-G43 WeakPolarHBondContact O-CA 3.43Å; H37-R44 WeakPolarHBondContact CB-O 3.28Å; H37-R44 PolarHBondContact N-O 2.87Å; H37-R44 PolarHBondContact O-N 2.89Å; H37-V46 HydrophobicContact CB-CG1 4.14Å; H37-V46 HydrophobicContact CB-CG2 3.73Å
38	N	76.7	Confident	76.4	Confident	96 Å²	96	54 Å²	54	51%	0.513	31%	0.309	S	S	.	.			trans	-73.5	97.7	176.5	-173.2	-12	0	0	0	110.9	L25 S40	L25-N38 HydrophobicContact CD1-CB 4.32Å; L25-N38 VanDerWaalsContact CD1-OD1 3.23Å; L25-N38 WeakPolarHBondContact CD1-OD1 3.21Å; L25-N38 HydrophobicContact CD2-CB 3.92Å; N38-S40 PolarHBondContact O-N 3.15Å; N38-S40 WeakPolarHBondContact OD1-CA 2.95Å; N38-S40 PolarHBondContact OD1-N 2.89Å
39	D	69	Low	75.5	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.07	31%	0.307	C	S	.	.			trans	-84.6	16.5	174.4	68.5	-5.1	0	0	0	113.4	H37 L41 F42 G43 R44 F55	H37-D39 PolarHBondContact O-N 3.2Å; D39-L41 PolarHBondContact O-N 3.39Å; D39-L41 PolarHBondContact OD1-N 2.65Å; D39-L41 VanDerWaalsContact OD1-N 3.11Å; D39-F42 PolarHBondContact OD1-N 2.73Å; D39-G43 PolarHBondContact OD1-N 2.72Å; D39-R44 WeakPolarHBondContact OD2-CG 3.31Å; D39-R44 IonicContact OD2-NE 3.6Å; D39-R44 PolarHBondContact OD2-NE 2.98Å; D39-F55 HydrophobicContact CB-CB 4.17Å
40	S	65.7	Low	74.4	Confident	72 Å²	72	55 Å²	55	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	56.2	16	-175.5	-61.7	0	0	0	0	114.8	N38 K66	N38-S40 PolarHBondContact O-N 3.15Å; N38-S40 WeakPolarHBondContact OD1-CA 2.95Å; N38-S40 PolarHBondContact OD1-N 2.89Å; S40-K66 WeakPolarHBondContact O-CE 3.42Å; S40-K66 PolarHBondContact O-NZ 3.24Å; S40-K66 VanDerWaalsContact O-NZ 3.15Å
41	L	70.5	Confident	72.9	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	35%	0.352	C	S	.	.	S	Bend	trans	-128.9	-77.2	-177.9	-164.8	78.2	0	0	0	110.7	Y26 D39 F55 L65 K66 F71	Y26-L41 PolarHBondContact OH-O 2.77Å; D39-L41 PolarHBondContact O-N 3.39Å; D39-L41 PolarHBondContact OD1-N 2.65Å; D39-L41 VanDerWaalsContact OD1-N 3.11Å; L41-F55 HydrophobicContact CD2-CD1 4.49Å; L41-F55 HydrophobicContact CD2-CE1 3.9Å; L41-L65 HydrophobicContact CD1-CB 3.69Å; L41-L65 HydrophobicContact CD1-CD1 4.49Å; L41-L65 HydrophobicContact CD2-CB 4.04Å; L41-L65 HydrophobicContact CD2-CD1 3.65Å; L41-L65 HydrophobicContact CD2-CG 4.31Å; L41-L65 HydrophobicContact CG-CB 4.42Å; L41-K66 HydrophobicContact CD1-CG 3.89Å; L41-F71 VanDerWaalsContact C-CZ 3.5Å; L41-F71 HydrophobicContact CB-CZ 4.18Å; L41-F71 HydrophobicContact CD1-CE1 4.49Å; L41-F71 HydrophobicContact CD1-CE2 3.58Å; L41-F71 HydrophobicContact CD1-CZ 3.34Å; L41-F71 HydrophobicContact CG-CE2 3.78Å; L41-F71 HydrophobicContact CG-CZ 3.51Å; L41-F71 WeakPolarHBondContact O-CE1 3.03Å; L41-F71 WeakPolarHBondContact O-CZ 3.34Å
42	F	77.3	Confident	71.5	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-119.6	-22.5	-175.4	-62.5	-57.3	0	0	0	113.9	I22 G23 C24 L25 Y26 D39 L70 F71 W79 L88 I92	I22-F42 HydrophobicContact CG2-CB 3.31Å; I22-F42 HydrophobicContact CG2-CD2 3.64Å; I22-F42 HydrophobicContact CG2-CG 3.67Å; G23-F42 CarbonylContact C-O 3.56Å; G23-F42 WeakPolarHBondContact CA-O 3.37Å; G23-F42 PolarHBondContact N-O 3.36Å; C24-F42 PolarHBondContact N-O 3.07Å; L25-F42 WeakPolarHBondContact CB-O 3.17Å; L25-F42 PolarHBondContact N-O 2.94Å; L25-F42 VanDerWaalsContact N-O 3.11Å; Y26-F42 AromaticContact CE2-CD1 3.98Å; Y26-F42 HydrophobicContact CE2-CD1 3.98Å; D39-F42 PolarHBondContact OD1-N 2.73Å; F42-L70 HydrophobicContact CD1-CD1 4.24Å; F42-L70 HydrophobicContact CE1-CD1 3.22Å; F42-L70 HydrophobicContact CZ-CD1 3.64Å; F42-F71 HydrophobicContact CD1-CD2 4.43Å; F42-F71 AromaticContact CD1-CE2 3.82Å; F42-F71 HydrophobicContact CD1-CE2 3.82Å; F42-F71 AromaticContact CD1-CZ 4Å; F42-F71 HydrophobicContact CD1-CZ 4Å; F42-F71 AromaticContact CE1-CD2 3.43Å; F42-F71 HydrophobicContact CE1-CD2 3.43Å; F42-F71 VanDerWaalsContact CE1-CD2 3.43Å; F42-F71 AromaticContact CE1-CE2 3.03Å; F42-F71 HydrophobicContact CE1-CE2 3.03Å; F42-F71 HydrophobicContact CE1-CG 4.39Å; F42-F71 AromaticContact CE1-CZ 3.68Å; F42-F71 HydrophobicContact CE1-CZ 3.68Å; F42-F71 HydrophobicContact CE2-CE2 4.09Å; F42-F71 AromaticContact CZ-CD2 3.76Å; F42-F71 HydrophobicContact CZ-CD2 3.76Å; F42-F71 AromaticContact CZ-CE2 3.22Å; F42-F71 HydrophobicContact CZ-CE2 3.22Å; F42-F71 HydrophobicContact CZ-CZ 4.12Å; F42-W79 HydrophobicContact CB-CZ3 4.24Å; F42-W79 AromaticContact CD1-CH2 3.29Å; F42-W79 HydrophobicContact CD1-CH2 3.29Å; F42-W79 AromaticContact CD1-CZ3 3.45Å; F42-W79 HydrophobicContact CD1-CZ3 3.45Å; F42-W79 VanDerWaalsContact CD1-CZ3 3.45Å; F42-W79 AromaticContact CE1-CH2 3.65Å; F42-W79 HydrophobicContact CE1-CH2 3.65Å; F42-W79 HydrophobicContact CE1-CZ3 4.02Å; F42-W79 HydrophobicContact CG-CH2 4.27Å; F42-W79 HydrophobicContact CG-CZ3 4.01Å; F42-L88 HydrophobicContact CD2-CD2 4.31Å; F42-L88 HydrophobicContact CE1-CD2 4.2Å; F42-L88 HydrophobicContact CE2-CD2 3.72Å; F42-L88 HydrophobicContact CZ-CD2 3.65Å; F42-I92 HydrophobicContact CD2-CD1 4.43Å
43	G	76.6	Confident	70.2	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.342	C	S	.	.			trans	79.8	135.1	-160	0	0	0	0	0	110.9	I22 G23 C24 H37 D39	I22-G43 CarbonylContact C-O 3.59Å; I22-G43 WeakPolarHBondContact CA-O 3.5Å; G23-G43 PolarHBondContact N-O 3.01Å; C24-G43 WeakPolarHBondContact SG-CA 3.4Å; H37-G43 CarbonylContact O-C 3.53Å; H37-G43 VanDerWaalsContact O-CA 3.26Å; H37-G43 WeakPolarHBondContact O-CA 3.43Å; D39-G43 PolarHBondContact OD1-N 2.72Å
44	R	77.1	Confident	69	Low	32 Å²	32	66.7 Å²	66.7	12%	0.121	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.5	171.3	-62.5	-172.5	-169.9	-162	9.3	110	C24 H37 D39 V46 F55 E96	C24-R44 VanDerWaalsContact SG-C 3.56Å; C24-R44 PolarHBondContact SG-N 3.37Å; H37-R44 WeakPolarHBondContact CB-O 3.28Å; H37-R44 PolarHBondContact N-O 2.87Å; H37-R44 PolarHBondContact O-N 2.89Å; D39-R44 WeakPolarHBondContact OD2-CG 3.31Å; D39-R44 IonicContact OD2-NE 3.6Å; D39-R44 PolarHBondContact OD2-NE 2.98Å; R44-V46 HydrophobicContact CB-CG1 4.32Å; R44-V46 PolarHBondContact O-N 2.95Å; R44-F55 VanDerWaalsContact NH2-CE2 3.32Å; R44-E96 IonicContact NH2-OE1 3.34Å
45	C	79.9	Confident	67.6	Low	2 Å²	2	66.9 Å²	66.9	1%	0.014	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.6	169.7	-56.6	0	0	0	0	108.7	G20 Y21 C24 C30 E34 I35	G20-C45 WeakPolarHBondContact CA-O 3.42Å; Y21-C45 PolarHBondContact O-N 2.79Å; Y21-C45 PolarHBondContact O-SG 3.19Å; C24-C45 VanDerWaalsContact CB-SG 3.58Å; C30-C45 WeakPolarHBondContact CA-SG 3.19Å; C30-C45 HydrophobicContact CB-CB 3.69Å; C30-C45 WeakPolarHBondContact CB-SG 3.35Å; C30-C45 PolarHBondContact N-SG 2.03Å; C30-C45 WeakPolarHBondContact SG-CA 3.39Å; C30-C45 WeakPolarHBondContact SG-CB 3.34Å; C30-C45 CovalentContact SG-SG 2.04Å; C30-C45 PolarHBondContact SG-SG 2.93Å; E34-C45 HydrophobicContact CB-CB 4.07Å; E34-C45 HydrophobicContact CG-CB 4.46Å; E34-C45 VanDerWaalsContact OE2-CB 3.25Å; E34-C45 WeakPolarHBondContact OE2-CB 3.34Å; I35-C45 WeakPolarHBondContact O-CA 3.47Å
46	V	74.1	Confident	66	Low	26 Å²	26	70.2 Å²	70.2	16%	0.158	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.2	179.5	-60.1	0	0	0	0	109.2	E34 I35 H37 R44	E34-V46 CarbonylContact C-O 3.59Å; E34-V46 WeakPolarHBondContact CA-O 3.24Å; I35-V46 HydrophobicContact CD1-CG2 4.2Å; I35-V46 HydrophobicContact CG1-CG2 3.76Å; I35-V46 WeakPolarHBondContact CG1-O 3.18Å; I35-V46 PolarHBondContact N-O 3.36Å; I35-V46 PolarHBondContact O-N 3.37Å; H37-V46 HydrophobicContact CB-CG1 4.14Å; H37-V46 HydrophobicContact CB-CG2 3.73Å; R44-V46 HydrophobicContact CB-CG1 4.32Å; R44-V46 PolarHBondContact O-N 2.95Å
47	P	75.3	Confident	64.5	Low	57 Å²	57	67.8 Å²	67.8	37%	0.37	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	144.1	175.8	-21.9	32.3	0	0	0	111.7	N49 V50	P47-N49 PolarHBondContact O-N 2.87Å; P47-V50 HydrophobicContact CB-CG2 4.26Å; P47-V50 HydrophobicContact CG-CG2 4.33Å; P47-V50 PolarHBondContact O-N 3.09Å; P47-V50 VanDerWaalsContact O-N 3.08Å
48	D	68.4	Low	63.2	Low	102 Å²	102	65.7 Å²	65.7	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-19.2	-178.8	-97.1	-31.6	0	0	0	115.4	G33 I35	G33-D48 PolarHBondContact O-N 3.35Å; I35-D48 WeakPolarHBondContact CG2-OD1 3.26Å
49	N	64.4	Low	61.8	Low	161 Å²	161	64.8 Å²	64.8	86%	0.861	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5.7	-175	-70	-23.2	0	0	0	115.1	P47	P47-N49 PolarHBondContact O-N 2.87Å
50	V	58.1	Low	60.7	Low	62 Å²	62	67.4 Å²	67.4	38%	0.376	37%	0.365	S	S	.	.			trans	-104.5	97.3	-177.6	-172.5	0	0	0	0	110.5	P47	P47-V50 HydrophobicContact CB-CG2 4.26Å; P47-V50 HydrophobicContact CG-CG2 4.33Å; P47-V50 PolarHBondContact O-N 3.09Å; P47-V50 VanDerWaalsContact O-N 3.08Å
51	Q	50.3	Low	60.2	Low	182 Å²	182	65.3 Å²	65.3	85%	0.85	35%	0.348	S	S	*	.			trans	-87.8	135.1	161.2	-72.5	179.4	-14.8	0	0	108.2
52	D	47.8	Very low	59.6	Low	134 Å²	134	67.3 Å²	67.3	72%	0.717	36%	0.357	S	S	*	.			trans	76.7	79.4	174.1	-61.8	-23.4	0	0	0	118.1
53	H	49.8	Very low	58.7	Low	95 Å²	95	72.7 Å²	72.7	44%	0.44	38%	0.379	S	S	.	.			trans	-143.3	82.2	141.6	-67.7	-53.1	0	0	0	109.4	F55	H53-F55 PolarHBondContact O-N 3.06Å
54	L	48.6	Very low	57.9	Low	143 Å²	143	78.1 Å²	78.1	75%	0.749	40%	0.402	S	S	*	.			trans	-61.3	125.2	167	-90.6	117.5	0	0	0	108.8	D56	L54-D56 PolarHBondContact O-N 3.11Å
55	F	49.8	Very low	57.2	Low	24 Å²	24	76.7 Å²	76.7	11%	0.105	40%	0.397	C	S	.	.			trans	-64.6	88.6	160.2	-177.3	-117.5	0	0	0	108	D39 L41 R44 H53 A57 L65 I92 E96	D39-F55 HydrophobicContact CB-CB 4.17Å; L41-F55 HydrophobicContact CD2-CD1 4.49Å; L41-F55 HydrophobicContact CD2-CE1 3.9Å; R44-F55 VanDerWaalsContact NH2-CE2 3.32Å; H53-F55 PolarHBondContact O-N 3.06Å; F55-A57 HydrophobicContact CD1-CB 3.66Å; F55-A57 HydrophobicContact CE1-CB 3.18Å; F55-A57 HydrophobicContact CE2-CB 4.31Å; F55-A57 HydrophobicContact CG-CB 4.42Å; F55-A57 HydrophobicContact CZ-CB 3.57Å; F55-A57 PolarHBondContact O-N 3.08Å; F55-L65 HydrophobicContact CE1-CD1 4.09Å; F55-L65 HydrophobicContact CZ-CD1 4.04Å; F55-I92 HydrophobicContact CD2-CG2 4.3Å; F55-I92 HydrophobicContact CE2-CG2 3.49Å; F55-I92 VanDerWaalsContact CE2-CG2 3.49Å; F55-I92 HydrophobicContact CZ-CG2 3.89Å; F55-E96 HydrophobicContact CD2-CG 4.28Å; F55-E96 WeakPolarHBondContact CD2-OE1 3.32Å; F55-E96 HydrophobicContact CE2-CG 3.65Å; F55-E96 VanDerWaalsContact CE2-OE1 3.28Å; F55-E96 WeakPolarHBondContact CE2-OE1 3.36Å
56	D	46.6	Very low	56.6	Low	147 Å²	147	80.6 Å²	80.6	79%	0.786	41%	0.414	S	S	*	.			trans	-81.5	66.5	175.9	-165	10.9	0	0	0	109.2	L54 G58	L54-D56 PolarHBondContact O-N 3.11Å; D56-G58 PolarHBondContact O-N 2.82Å
57	A	51.6	Low	56.2	Low	6 Å²	6	82.4 Å²	82.4	5%	0.05	43%	0.427	C	S	.	.			trans	-74.6	120.9	169.1	0	0	0	0	0	108.9	F55 Q61 M62	F55-A57 HydrophobicContact CD1-CB 3.66Å; F55-A57 HydrophobicContact CE1-CB 3.18Å; F55-A57 HydrophobicContact CE2-CB 4.31Å; F55-A57 HydrophobicContact CG-CB 4.42Å; F55-A57 HydrophobicContact CZ-CB 3.57Å; F55-A57 PolarHBondContact O-N 3.08Å; A57-Q61 VanDerWaalsContact CA-OE1 3.25Å; A57-Q61 HydrophobicContact CB-CB 3.99Å; A57-M62 HydrophobicContact CB-CG 3.77Å
58	G	49.1	Very low	55.7	Low	24 Å²	24	80.9 Å²	80.9	25%	0.247	42%	0.416	C	S	.	.			trans	-53.9	146.6	172.3	0	0	0	0	0	110.4	D56 S60 Q61 M62	D56-G58 PolarHBondContact O-N 2.82Å; G58-S60 PolarHBondContact O-N 2.79Å; G58-Q61 WeakPolarHBondContact O-CA 3.17Å; G58-Q61 VanDerWaalsContact O-CB 3.25Å; G58-Q61 WeakPolarHBondContact O-CB 3.23Å; G58-Q61 PolarHBondContact O-N 2.94Å; G58-M62 PolarHBondContact O-N 2.9Å; G58-M62 VanDerWaalsContact O-N 3.12Å
59	Y	46.9	Very low	55.8	Low	78 Å²	78	78.8 Å²	78.8	31%	0.306	41%	0.408	S	S	.	.	H	α-helix	trans	-47.2	-35	-174.4	-154.8	-87.7	0	0	0	115.2	Q61 Y63 T312 Q314	Y59-Q61 VanDerWaalsContact C-N 3.35Å; Y59-Y63 PolarHBondContact O-N 3.44Å; Y59-T312 VanDerWaalsContact CD1-CB 3.4Å; Y59-T312 HydrophobicContact CD1-CG2 3.93Å; Y59-T312 HydrophobicContact CD2-CG2 3.42Å; Y59-T312 VanDerWaalsContact CD2-CG2 3.42Å; Y59-T312 HydrophobicContact CE1-CG2 3.76Å; Y59-T312 VanDerWaalsContact CE1-OG1 3.27Å; Y59-T312 WeakPolarHBondContact CE1-OG1 3.32Å; Y59-T312 HydrophobicContact CE2-CG2 3.28Å; Y59-T312 HydrophobicContact CG-CG2 3.73Å; Y59-T312 VanDerWaalsContact CZ-CG2 3.45Å; Y59-Q314 HydrophobicContact CD1-CG 4.41Å; Y59-Q314 HydrophobicContact CE1-CB 3.89Å; Y59-Q314 HydrophobicContact CE1-CG 3.71Å; Y59-Q314 PolarHBondContact OH-OE1 3.19Å
60	S	47	Very low	56.2	Low	67 Å²	67	71.8 Å²	71.8	47%	0.469	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-37.1	174.3	-158.4	0	0	0	0	113.6	G58 K64 N313	G58-S60 PolarHBondContact O-N 2.79Å; S60-K64 PolarHBondContact O-N 2.89Å; S60-N313 WeakPolarHBondContact CB-ND2 3.44Å
61	Q	55.3	Low	56.7	Low	29 Å²	29	70.1 Å²	70.1	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-73.8	-45	179.4	-59.1	164.9	-9.4	0	0	109.5	A57 G58 Y59 Y63 K64 L65 Y95 H98	A57-Q61 VanDerWaalsContact CA-OE1 3.25Å; A57-Q61 HydrophobicContact CB-CB 3.99Å; G58-Q61 WeakPolarHBondContact O-CA 3.17Å; G58-Q61 VanDerWaalsContact O-CB 3.25Å; G58-Q61 WeakPolarHBondContact O-CB 3.23Å; G58-Q61 PolarHBondContact O-N 2.94Å; Y59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-Y63 PolarHBondContact O-N 3.44Å; Q61-K64 PolarHBondContact O-N 3.49Å; Q61-L65 WeakPolarHBondContact O-CG 3.5Å; Q61-L65 PolarHBondContact O-N 2.04Å; Q61-Y95 HydrophobicContact CB-CD1 3.93Å; Q61-Y95 HydrophobicContact CB-CG 4.39Å; Q61-Y95 HydrophobicContact CG-CD1 3.98Å; Q61-H98 PolarHBondContact NE2-CD2 3.24Å; Q61-H98 VanDerWaalsContact NE2-CD2 3.29Å; Q61-H98 PolarHBondContact NE2-CE1 2.74Å; Q61-H98 PolarHBondContact NE2-NE2 3.11Å
62	M	58.1	Low	57.6	Low	42 Å²	42	67.3 Å²	67.3	21%	0.207	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-43.2	173.2	-76	-175	76.8	0	0	112.3	A57 G58 L65 K66	A57-M62 HydrophobicContact CB-CG 3.77Å; G58-M62 PolarHBondContact O-N 2.9Å; G58-M62 VanDerWaalsContact O-N 3.12Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.26Å; M62-K66 VanDerWaalsContact O-CG 3.25Å; M62-K66 WeakPolarHBondContact O-CG 3.43Å; M62-K66 PolarHBondContact O-N 3.12Å
63	Y	57.8	Low	58.9	Low	114 Å²	114	66 Å²	66	45%	0.447	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-45.3	178.9	-178.4	-124.7	0	0	0	112.3	Y59 Q61 L65 K66 S67 Q314	Y59-Y63 PolarHBondContact O-N 3.44Å; Q61-Y63 PolarHBondContact O-N 3.44Å; Y63-L65 VanDerWaalsContact C-N 3.34Å; Y63-L65 PolarHBondContact O-N 2.87Å; Y63-K66 CarbonylContact O-C 3.57Å; Y63-K66 PolarHBondContact O-N 3.27Å; Y63-S67 WeakPolarHBondContact O-CB 3.42Å; Y63-S67 PolarHBondContact O-N 2.94Å; Y63-Q314 HydrophobicContact CD1-CG 4.45Å; Y63-Q314 HydrophobicContact CD2-CG 3.92Å; Y63-Q314 HydrophobicContact CE2-CG 4.06Å; Y63-Q314 HydrophobicContact CG-CG 4.04Å; Y63-Q314 VanDerWaalsContact CG-NE2 3.27Å
64	K	60.2	Low	59.8	Low	114 Å²	114	62.9 Å²	62.9	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-39.6	-178.7	-158.2	169.8	165.6	-152.9	0	111.2	S60 Q61 S67 Y95	S60-K64 PolarHBondContact O-N 2.89Å; Q61-K64 PolarHBondContact O-N 3.49Å; K64-S67 PolarHBondContact O-N 3.11Å; K64-S67 PolarHBondContact O-OG 3.14Å; K64-Y95 HydrophobicContact CB-CE1 4.15Å; K64-Y95 HydrophobicContact CD-CE1 3.94Å; K64-Y95 WeakPolarHBondContact CD-OH 2.99Å; K64-Y95 WeakPolarHBondContact CE-OH 3.3Å; K64-Y95 HydrophobicContact CG-CE1 4.38Å; K64-Y95 WeakPolarHBondContact CG-OH 2.99Å; K64-Y95 PolarHBondContact NZ-OH 2.82Å
65	L	62.9	Low	61	Low	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-43	171.9	-72.4	164.3	0	0	0	112	L41 F55 Q61 M62 Y63 S67 L68 F71 M91 Y95	L41-L65 HydrophobicContact CD1-CB 3.69Å; L41-L65 HydrophobicContact CD1-CD1 4.49Å; L41-L65 HydrophobicContact CD2-CB 4.04Å; L41-L65 HydrophobicContact CD2-CD1 3.65Å; L41-L65 HydrophobicContact CD2-CG 4.31Å; L41-L65 HydrophobicContact CG-CB 4.42Å; F55-L65 HydrophobicContact CE1-CD1 4.09Å; F55-L65 HydrophobicContact CZ-CD1 4.04Å; Q61-L65 WeakPolarHBondContact O-CG 3.5Å; Q61-L65 PolarHBondContact O-N 2.04Å; M62-L65 PolarHBondContact O-N 2.93Å; Y63-L65 VanDerWaalsContact C-N 3.34Å; Y63-L65 PolarHBondContact O-N 2.87Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 2.83Å; L65-L68 HydrophobicContact CD2-CD1 4.15Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 WeakPolarHBondContact O-CD1 3.21Å; L65-L68 WeakPolarHBondContact O-CG 3.42Å; L65-L68 PolarHBondContact O-N 3Å; L65-F71 WeakPolarHBondContact O-CD2 3.44Å; L65-F71 WeakPolarHBondContact O-CE2 3.41Å; L65-M91 HydrophobicContact CD2-CB 4.33Å; L65-M91 HydrophobicContact CD2-CE 4.37Å; L65-Y95 HydrophobicContact CD1-CD2 3.81Å; L65-Y95 HydrophobicContact CD1-CE2 4.38Å; L65-Y95 HydrophobicContact CD1-CG 4.2Å; L65-Y95 HydrophobicContact CD2-CD2 3.6Å; L65-Y95 HydrophobicContact CD2-CE2 3.56Å; L65-Y95 HydrophobicContact CG-CD2 3.68Å; L65-Y95 HydrophobicContact CG-CE2 3.75Å; L65-Y95 HydrophobicContact CG-CG 4.4Å
66	K	66.8	Low	62.3	Low	84 Å²	84	70.5 Å²	70.5	37%	0.365	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-22.7	176.5	-74.4	-176.7	177.5	-171.3	0	114.1	S40 L41 M62 Y63 L68 F71	S40-K66 WeakPolarHBondContact O-CE 3.42Å; S40-K66 PolarHBondContact O-NZ 3.24Å; S40-K66 VanDerWaalsContact O-NZ 3.15Å; L41-K66 HydrophobicContact CD1-CG 3.89Å; M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.26Å; M62-K66 VanDerWaalsContact O-CG 3.25Å; M62-K66 WeakPolarHBondContact O-CG 3.43Å; M62-K66 PolarHBondContact O-N 3.12Å; Y63-K66 CarbonylContact O-C 3.57Å; Y63-K66 PolarHBondContact O-N 3.27Å; K66-L68 PolarHBondContact O-N 3.44Å; K66-F71 HydrophobicContact CB-CG 4.49Å; K66-F71 HydrophobicContact CG-CD1 4.19Å; K66-F71 HydrophobicContact CG-CD2 4.49Å; K66-F71 HydrophobicContact CG-CE1 3.8Å; K66-F71 HydrophobicContact CG-CE2 4.06Å; K66-F71 HydrophobicContact CG-CG 4.5Å; K66-F71 HydrophobicContact CG-CZ 3.72Å; K66-F71 VanDerWaalsContact O-CB 3.25Å; K66-F71 WeakPolarHBondContact O-CB 3.5Å
67	S	65.2	Low	63.5	Low	64 Å²	64	67 Å²	67	45%	0.448	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.4	176.8	75.5	0	0	0	0	113.7	Y63 K64 L65	Y63-S67 WeakPolarHBondContact O-CB 3.42Å; Y63-S67 PolarHBondContact O-N 2.94Å; K64-S67 PolarHBondContact O-N 3.11Å; K64-S67 PolarHBondContact O-OG 3.14Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 2.83Å
68	L	65.5	Low	64.9	Low	26 Å²	26	71.1 Å²	71.1	14%	0.136	35%	0.352	C	S	.	.	S	Bend	trans	-65.2	140.4	-178.8	-63.1	169.5	0	0	0	110.9	L65 K66 L70 F71 M91	L65-L68 HydrophobicContact CD2-CD1 4.15Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 WeakPolarHBondContact O-CD1 3.21Å; L65-L68 WeakPolarHBondContact O-CG 3.42Å; L65-L68 PolarHBondContact O-N 3Å; K66-L68 PolarHBondContact O-N 3.44Å; L68-L70 HydrophobicContact CB-CD2 3.97Å; L68-L70 HydrophobicContact CB-CG 3.85Å; L68-L70 HydrophobicContact CD1-CD2 4.16Å; L68-L70 PolarHBondContact O-N 3.37Å; L68-F71 WeakPolarHBondContact O-CB 3Å; L68-F71 PolarHBondContact O-N 3Å; L68-M91 HydrophobicContact CD1-CE 3.29Å; L68-M91 HydrophobicContact CD1-SD 3.83Å; L68-M91 HydrophobicContact CD2-CE 3.61Å; L68-M91 HydrophobicContact CG-CE 4.03Å
69	P	69.5	Low	66.4	Low	58 Å²	58	70 Å²	70	38%	0.377	34%	0.341	S	S	.	.	H	α-helix	trans	-53.1	-30.2	-179.3	-30.3	37.6	0	0	0	114.5	F71 N72 K73 L148	P69-F71 VanDerWaalsContact C-N 3.29Å; P69-F71 PolarHBondContact O-N 3.37Å; P69-N72 PolarHBondContact O-N 3.46Å; P69-K73 PolarHBondContact O-N 2.86Å; P69-L148 HydrophobicContact CG-CD2 4.13Å
70	L	72.8	Confident	67.8	Low	13 Å²	13	68.3 Å²	68.3	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-27.5	177.1	63.8	98	0	0	0	114.3	F42 L68 K73 P74 Y77 W79 L88	F42-L70 HydrophobicContact CD1-CD1 4.24Å; F42-L70 HydrophobicContact CE1-CD1 3.22Å; F42-L70 HydrophobicContact CZ-CD1 3.64Å; L68-L70 HydrophobicContact CB-CD2 3.97Å; L68-L70 HydrophobicContact CB-CG 3.85Å; L68-L70 HydrophobicContact CD1-CD2 4.16Å; L68-L70 PolarHBondContact O-N 3.37Å; L70-K73 CarbonylContact O-C 3.49Å; L70-P74 VanDerWaalsContact O-CA 3.3Å; L70-P74 WeakPolarHBondContact O-CA 3.37Å; L70-Y77 HydrophobicContact CB-CD1 4.42Å; L70-Y77 HydrophobicContact CB-CD2 3.91Å; L70-Y77 HydrophobicContact CB-CE1 4.22Å; L70-Y77 HydrophobicContact CB-CE2 3.73Å; L70-Y77 HydrophobicContact CB-CG 4.26Å; L70-W79 HydrophobicContact CD1-CH2 3.73Å; L70-W79 HydrophobicContact CD1-CZ2 4.46Å; L70-W79 HydrophobicContact CD1-CZ3 4.43Å; L70-L88 HydrophobicContact CD1-CD2 4.13Å; L70-L88 HydrophobicContact CD2-CD2 4.25Å
71	F	70.2	Confident	69.1	Low	28 Å²	28	68.4 Å²	68.4	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-71.9	-35.1	173.6	-107.9	-81.1	0	0	0	113.4	Y26 L41 F42 L65 K66 L68 P69 K73	Y26-F71 WeakPolarHBondContact OH-CE1 3.29Å; L41-F71 VanDerWaalsContact C-CZ 3.5Å; L41-F71 HydrophobicContact CB-CZ 4.18Å; L41-F71 HydrophobicContact CD1-CE1 4.49Å; L41-F71 HydrophobicContact CD1-CE2 3.58Å; L41-F71 HydrophobicContact CD1-CZ 3.34Å; L41-F71 HydrophobicContact CG-CE2 3.78Å; L41-F71 HydrophobicContact CG-CZ 3.51Å; L41-F71 WeakPolarHBondContact O-CE1 3.03Å; L41-F71 WeakPolarHBondContact O-CZ 3.34Å; F42-F71 HydrophobicContact CD1-CD2 4.43Å; F42-F71 AromaticContact CD1-CE2 3.82Å; F42-F71 HydrophobicContact CD1-CE2 3.82Å; F42-F71 AromaticContact CD1-CZ 4Å; F42-F71 HydrophobicContact CD1-CZ 4Å; F42-F71 AromaticContact CE1-CD2 3.43Å; F42-F71 HydrophobicContact CE1-CD2 3.43Å; F42-F71 VanDerWaalsContact CE1-CD2 3.43Å; F42-F71 AromaticContact CE1-CE2 3.03Å; F42-F71 HydrophobicContact CE1-CE2 3.03Å; F42-F71 HydrophobicContact CE1-CG 4.39Å; F42-F71 AromaticContact CE1-CZ 3.68Å; F42-F71 HydrophobicContact CE1-CZ 3.68Å; F42-F71 HydrophobicContact CE2-CE2 4.09Å; F42-F71 AromaticContact CZ-CD2 3.76Å; F42-F71 HydrophobicContact CZ-CD2 3.76Å; F42-F71 AromaticContact CZ-CE2 3.22Å; F42-F71 HydrophobicContact CZ-CE2 3.22Å; F42-F71 HydrophobicContact CZ-CZ 4.12Å; L65-F71 WeakPolarHBondContact O-CD2 3.44Å; L65-F71 WeakPolarHBondContact O-CE2 3.41Å; K66-F71 HydrophobicContact CB-CG 4.49Å; K66-F71 HydrophobicContact CG-CD1 4.19Å; K66-F71 HydrophobicContact CG-CD2 4.49Å; K66-F71 HydrophobicContact CG-CE1 3.8Å; K66-F71 HydrophobicContact CG-CE2 4.06Å; K66-F71 HydrophobicContact CG-CG 4.5Å; K66-F71 HydrophobicContact CG-CZ 3.72Å; K66-F71 VanDerWaalsContact O-CB 3.25Å; K66-F71 WeakPolarHBondContact O-CB 3.5Å; L68-F71 WeakPolarHBondContact O-CB 3Å; L68-F71 PolarHBondContact O-N 3Å; P69-F71 VanDerWaalsContact C-N 3.29Å; P69-F71 PolarHBondContact O-N 3.37Å; F71-K73 VanDerWaalsContact C-N 3.34Å
72	N	69	Low	69.8	Low	123 Å²	123	70.6 Å²	70.6	66%	0.658	35%	0.354	S	S	*	.	H	α-helix	trans	-79.5	-21.4	-176.2	-68.5	-30.1	0	0	0	112.3	P69	P69-N72 PolarHBondContact O-N 3.46Å
73	K	74	Confident	70.3	Confident	107 Å²	107	71.7 Å²	71.7	47%	0.465	36%	0.363	S	S	.	.			trans	-141.1	60.9	-178.9	-61.6	-173.6	-177.6	178.8	0	110.8	P69 L70 F71 Q75 K76 Y77	P69-K73 PolarHBondContact O-N 2.86Å; L70-K73 CarbonylContact O-C 3.49Å; F71-K73 VanDerWaalsContact C-N 3.34Å; K73-Q75 PolarHBondContact O-N 3.5Å; K73-Q75 VanDerWaalsContact O-N 3.14Å; K73-K76 HydrophobicContact CB-CB 4.35Å; K73-K76 HydrophobicContact CB-CD 3.98Å; K73-K76 HydrophobicContact CB-CG 4.02Å; K73-K76 HydrophobicContact CD-CD 3.85Å; K73-K76 HydrophobicContact CG-CD 4.5Å; K73-K76 WeakPolarHBondContact O-CB 3.4Å; K73-K76 PolarHBondContact O-N 2.86Å; K73-Y77 WeakPolarHBondContact O-CD2 3.44Å
74	P	69.1	Low	71.3	Confident	28 Å²	28	67.2 Å²	67.2	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.4	-173.1	25.1	-34.3	0	0	0	112.7	Y26 L70 K76 Y77 W79	Y26-P74 HydrophobicContact CD1-CB 3.41Å; Y26-P74 VanDerWaalsContact CD1-CB 3.41Å; Y26-P74 HydrophobicContact CD1-CG 3.7Å; Y26-P74 HydrophobicContact CD2-CB 4.33Å; Y26-P74 HydrophobicContact CE1-CB 3.87Å; Y26-P74 HydrophobicContact CE1-CG 3.91Å; Y26-P74 HydrophobicContact CG-CB 3.68Å; Y26-P74 HydrophobicContact CG-CG 4.46Å; L70-P74 VanDerWaalsContact O-CA 3.3Å; L70-P74 WeakPolarHBondContact O-CA 3.37Å; P74-K76 PolarHBondContact O-N 3.31Å; P74-Y77 PolarHBondContact O-N 2.87Å; P74-W79 HydrophobicContact CB-CZ2 4.04Å; P74-W79 PolarHBondContact O-NE1 2.86Å; P74-W79 VanDerWaalsContact O-NE1 3.11Å
75	Q	73.6	Confident	72.2	Confident	197 Å²	197	61.9 Å²	61.9	92%	0.921	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-66.9	-13	177.1	-63.7	176.9	-3.1	0	0	114.1	K73	K73-Q75 PolarHBondContact O-N 3.5Å; K73-Q75 VanDerWaalsContact O-N 3.14Å
76	K	76.5	Confident	72.8	Confident	131 Å²	131	62 Å²	62	57%	0.57	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-87.5	-6.6	179	-70.3	-166.1	171.5	-160.4	0	114	K73 P74	K73-K76 HydrophobicContact CB-CB 4.35Å; K73-K76 HydrophobicContact CB-CD 3.98Å; K73-K76 HydrophobicContact CB-CG 4.02Å; K73-K76 HydrophobicContact CD-CD 3.85Å; K73-K76 HydrophobicContact CG-CD 4.5Å; K73-K76 WeakPolarHBondContact O-CB 3.4Å; K73-K76 PolarHBondContact O-N 2.86Å; P74-K76 PolarHBondContact O-N 3.31Å
77	Y	72.7	Confident	73.1	Confident	73 Å²	73	60.4 Å²	60.4	29%	0.286	32%	0.319	S	S	.	.	S	Bend	trans	-116.3	136.2	-174.1	-63.4	-90.4	0	0	0	109.3	L70 K73 P74 W79 L84	L70-Y77 HydrophobicContact CB-CD1 4.42Å; L70-Y77 HydrophobicContact CB-CD2 3.91Å; L70-Y77 HydrophobicContact CB-CE1 4.22Å; L70-Y77 HydrophobicContact CB-CE2 3.73Å; L70-Y77 HydrophobicContact CB-CG 4.26Å; K73-Y77 WeakPolarHBondContact O-CD2 3.44Å; P74-Y77 PolarHBondContact O-N 2.87Å; Y77-W79 PolarHBondContact O-N 2.69Å; Y77-L84 HydrophobicContact CD1-CD2 4.44Å
78	N	80.2	Confident	73.7	Confident	92 Å²	92	57.4 Å²	57.4	49%	0.492	30%	0.298	S	S	.	.			trans	-82.9	103.7	168.1	-179.3	11.2	0	0	0	107.9	Q27 A80 D81	Q27-N78 PolarHBondContact NE2-OD1 3.17Å; N78-A80 PolarHBondContact O-N 2.82Å; N78-A80 WeakPolarHBondContact OD1-CB 3.22Å; N78-A80 PolarHBondContact OD1-N 3.23Å; N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 WeakPolarHBondContact O-CB 3.49Å; N78-D81 PolarHBondContact O-N 2.87Å
79	W	82	Confident	74.1	Confident	2 Å²	2	58 Å²	58	1%	0.008	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.4	-177.7	-66.5	82.3	0	0	0	112.5	Y26 Q27 V29 F42 L70 P74 Y77 D81 Q85 L88	Y26-W79 HydrophobicContact CD2-CD2 4.46Å; Y26-W79 AromaticContact CD2-CE2 3.79Å; Y26-W79 AromaticContact CD2-CH2 3.6Å; Y26-W79 HydrophobicContact CD2-CH2 3.6Å; Y26-W79 AromaticContact CD2-CZ2 3.32Å; Y26-W79 HydrophobicContact CD2-CZ2 3.32Å; Y26-W79 HydrophobicContact CD2-CZ3 4.27Å; Y26-W79 AromaticContact CE2-CH2 3.92Å; Y26-W79 HydrophobicContact CE2-CH2 3.92Å; Y26-W79 AromaticContact CE2-CZ2 3.95Å; Y26-W79 HydrophobicContact CE2-CZ2 3.95Å; Y26-W79 AromaticContact CG-CZ2 3.87Å; Y26-W79 HydrophobicContact CG-CZ2 3.87Å; Q27-W79 HydrophobicContact CB-CB 4.07Å; Q27-W79 HydrophobicContact CB-CG 4.21Å; V29-W79 HydrophobicContact CG1-CB 3.81Å; F42-W79 HydrophobicContact CB-CZ3 4.24Å; F42-W79 AromaticContact CD1-CH2 3.29Å; F42-W79 HydrophobicContact CD1-CH2 3.29Å; F42-W79 AromaticContact CD1-CZ3 3.45Å; F42-W79 HydrophobicContact CD1-CZ3 3.45Å; F42-W79 VanDerWaalsContact CD1-CZ3 3.45Å; F42-W79 AromaticContact CE1-CH2 3.65Å; F42-W79 HydrophobicContact CE1-CH2 3.65Å; F42-W79 HydrophobicContact CE1-CZ3 4.02Å; F42-W79 HydrophobicContact CG-CH2 4.27Å; F42-W79 HydrophobicContact CG-CZ3 4.01Å; L70-W79 HydrophobicContact CD1-CH2 3.73Å; L70-W79 HydrophobicContact CD1-CZ2 4.46Å; L70-W79 HydrophobicContact CD1-CZ3 4.43Å; P74-W79 HydrophobicContact CB-CZ2 4.04Å; P74-W79 PolarHBondContact O-NE1 2.86Å; P74-W79 VanDerWaalsContact O-NE1 3.11Å; Y77-W79 PolarHBondContact O-N 2.69Å; W79-D81 VanDerWaalsContact C-N 3.26Å; W79-D81 PolarHBondContact O-N 3.36Å; W79-Q85 PolarHBondContact O-NE2 3.39Å; W79-L88 HydrophobicContact CE3-CD1 3.86Å; W79-L88 HydrophobicContact CZ3-CD1 3.62Å
80	A	75.2	Confident	74.2	Confident	42 Å²	42	55.2 Å²	55.2	35%	0.347	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.1	172	0	0	0	0	0	113.7	V29 N78 T82	V29-A80 HydrophobicContact CG1-CB 4.33Å; N78-A80 PolarHBondContact O-N 2.82Å; N78-A80 WeakPolarHBondContact OD1-CB 3.22Å; N78-A80 PolarHBondContact OD1-N 3.23Å; A80-T82 PolarHBondContact O-N 3.24Å
81	D	74.1	Confident	74.1	Confident	68 Å²	68	56.2 Å²	56.2	36%	0.364	29%	0.286	S	S	.	.			trans	-64.2	125.6	179.9	-178	81.1	0	0	0	111.5	N78 W79 T83 L84 Q85	N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 WeakPolarHBondContact O-CB 3.49Å; N78-D81 PolarHBondContact O-N 2.87Å; W79-D81 VanDerWaalsContact C-N 3.26Å; W79-D81 PolarHBondContact O-N 3.36Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.31Å; D81-T83 WeakPolarHBondContact OD2-CA 3.25Å; D81-T83 WeakPolarHBondContact OD2-CB 3.3Å; D81-T83 PolarHBondContact OD2-N 3.25Å; D81-L84 HydrophobicContact CB-CB 4Å; D81-L84 PolarHBondContact O-N 2.6Å; D81-L84 PolarHBondContact OD2-N 2.88Å; D81-Q85 WeakPolarHBondContact O-CG 3.45Å; D81-Q85 PolarHBondContact O-N 3.01Å
82	T	71.1	Confident	74.1	Confident	76 Å²	76	54.9 Å²	54.9	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-33.1	-174.3	54.5	0	0	0	0	112.4	A80 Q85 C86 Y112	A80-T82 PolarHBondContact O-N 3.24Å; T82-Q85 PolarHBondContact O-N 3.48Å; T82-C86 WeakPolarHBondContact O-CB 3.35Å; T82-C86 PolarHBondContact O-N 3.03Å; T82-Y112 VanDerWaalsContact C-OH 3.26Å; T82-Y112 WeakPolarHBondContact CB-OH 3.46Å; T82-Y112 PolarHBondContact O-OH 2.96Å; T82-Y112 PolarHBondContact OG1-OH 2.87Å; T82-Y112 VanDerWaalsContact OG1-OH 3.11Å
83	T	68.4	Low	74	Confident	65 Å²	65	50.3 Å²	50.3	40%	0.399	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-46.8	177	-49	0	0	0	0	109.7	D81 C86 L87 Y112	D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.31Å; D81-T83 WeakPolarHBondContact OD2-CA 3.25Å; D81-T83 WeakPolarHBondContact OD2-CB 3.3Å; D81-T83 PolarHBondContact OD2-N 3.25Å; T83-C86 PolarHBondContact O-N 2.85Å; T83-L87 HydrophobicContact CG2-CD1 4.26Å; T83-L87 WeakPolarHBondContact O-CB 3.3Å; T83-L87 VanDerWaalsContact O-CG 3.29Å; T83-L87 WeakPolarHBondContact O-CG 3.37Å; T83-L87 PolarHBondContact O-N 3.16Å; T83-Y112 PolarHBondContact N-OH 2.98Å
84	L	77.9	Confident	73.5	Confident	20 Å²	20	47.4 Å²	47.4	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176	-179.1	60.8	0	0	0	111.6	Y77 D81 C86 L87 L88	Y77-L84 HydrophobicContact CD1-CD2 4.44Å; D81-L84 HydrophobicContact CB-CB 4Å; D81-L84 PolarHBondContact O-N 2.6Å; D81-L84 PolarHBondContact OD2-N 2.88Å; L84-C86 VanDerWaalsContact C-N 3.3Å; L84-C86 PolarHBondContact O-N 3.11Å; L84-L87 PolarHBondContact O-N 3.02Å; L84-L88 HydrophobicContact CD1-CD1 4.18Å; L84-L88 HydrophobicContact CD1-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 HydrophobicContact CG-CG 4.38Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.27Å; L84-L88 PolarHBondContact O-N 3.2Å
85	Q	79.6	Confident	73.1	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-45.9	175.8	-76	-59.1	-55.9	0	0	111.8	Y21 I22 W79 D81 T82 L88 R89	Y21-Q85 HydrophobicContact CD1-CG 3.62Å; Y21-Q85 HydrophobicContact CE1-CG 3.81Å; I22-Q85 PolarHBondContact O-NE2 2.79Å; W79-Q85 PolarHBondContact O-NE2 3.39Å; D81-Q85 WeakPolarHBondContact O-CG 3.45Å; D81-Q85 PolarHBondContact O-N 3.01Å; T82-Q85 PolarHBondContact O-N 3.48Å; Q85-L88 PolarHBondContact O-N 3.32Å; Q85-R89 WeakPolarHBondContact O-CG 3.45Å; Q85-R89 PolarHBondContact O-N 3.41Å
86	C	75.8	Confident	72.4	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-45.2	178.5	-179.2	0	0	0	0	112.4	T82 T83 L84 L88 R89 A90 C108	T82-C86 WeakPolarHBondContact O-CB 3.35Å; T82-C86 PolarHBondContact O-N 3.03Å; T83-C86 PolarHBondContact O-N 2.85Å; L84-C86 VanDerWaalsContact C-N 3.3Å; L84-C86 PolarHBondContact O-N 3.11Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.91Å; C86-R89 PolarHBondContact O-N 3.33Å; C86-A90 WeakPolarHBondContact O-CB 3.31Å; C86-A90 PolarHBondContact O-N 2.87Å; C86-C108 HydrophobicContact CB-CB 3.99Å; C86-C108 WeakPolarHBondContact CB-SG 3.37Å; C86-C108 WeakPolarHBondContact SG-CA 3.08Å; C86-C108 WeakPolarHBondContact SG-CB 3.25Å; C86-C108 CovalentContact SG-SG 2.03Å; C86-C108 PolarHBondContact SG-SG 2.91Å
87	L	72.7	Confident	71.6	Confident	49 Å²	49	34.6 Å²	34.6	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-58.9	-45.6	175.8	-72.1	172.5	0	0	0	111.2	T83 L84 R89 A90 M91 P104	T83-L87 HydrophobicContact CG2-CD1 4.26Å; T83-L87 WeakPolarHBondContact O-CB 3.3Å; T83-L87 VanDerWaalsContact O-CG 3.29Å; T83-L87 WeakPolarHBondContact O-CG 3.37Å; T83-L87 PolarHBondContact O-N 3.16Å; L84-L87 PolarHBondContact O-N 3.02Å; L87-R89 VanDerWaalsContact C-N 3.35Å; L87-R89 PolarHBondContact O-N 3.46Å; L87-A90 WeakPolarHBondContact O-CB 3.26Å; L87-A90 PolarHBondContact O-N 2.82Å; L87-M91 WeakPolarHBondContact O-CB 3.39Å; L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 3.24Å; L87-P104 HydrophobicContact CD2-CB 3.53Å
88	L	77.1	Confident	70.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-43.3	177.6	-71	170	0	0	0	111.5	I22 F42 L70 W79 L84 Q85 C86 M91 I92	I22-L88 HydrophobicContact CB-CD1 4.21Å; I22-L88 HydrophobicContact CD1-CB 3.77Å; I22-L88 HydrophobicContact CG2-CB 4.37Å; I22-L88 HydrophobicContact CG2-CD1 3.96Å; F42-L88 HydrophobicContact CD2-CD2 4.31Å; F42-L88 HydrophobicContact CE1-CD2 4.2Å; F42-L88 HydrophobicContact CE2-CD2 3.72Å; F42-L88 HydrophobicContact CZ-CD2 3.65Å; L70-L88 HydrophobicContact CD1-CD2 4.13Å; L70-L88 HydrophobicContact CD2-CD2 4.25Å; W79-L88 HydrophobicContact CE3-CD1 3.86Å; W79-L88 HydrophobicContact CZ3-CD1 3.62Å; L84-L88 HydrophobicContact CD1-CD1 4.18Å; L84-L88 HydrophobicContact CD1-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 HydrophobicContact CG-CG 4.38Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.27Å; L84-L88 PolarHBondContact O-N 3.2Å; Q85-L88 PolarHBondContact O-N 3.32Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.91Å; L88-M91 PolarHBondContact O-N 3.31Å; L88-I92 WeakPolarHBondContact O-CB 3.38Å; L88-I92 WeakPolarHBondContact O-CG1 3.24Å; L88-I92 PolarHBondContact O-N 2.83Å
89	R	74.6	Confident	69.1	Low	39 Å²	39	35.9 Å²	35.9	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-48	174.6	-71.9	176.5	-172.1	124.6	4.8	111.7	G20 I22 Q85 C86 L87 M91 I92 L93 F107	G20-R89 PolarHBondContact O-NH2 3.49Å; I22-R89 HydrophobicContact CD1-CG 3.65Å; Q85-R89 WeakPolarHBondContact O-CG 3.45Å; Q85-R89 PolarHBondContact O-N 3.41Å; C86-R89 PolarHBondContact O-N 3.33Å; L87-R89 VanDerWaalsContact C-N 3.35Å; L87-R89 PolarHBondContact O-N 3.46Å; R89-M91 VanDerWaalsContact C-N 3.29Å; R89-M91 PolarHBondContact O-N 2.88Å; R89-I92 PolarHBondContact O-N 2.86Å; R89-L93 WeakPolarHBondContact O-CB 3.29Å; R89-L93 WeakPolarHBondContact O-CD1 3.34Å; R89-L93 PolarHBondContact O-N 2.97Å; R89-F107 HydrophobicContact CB-CE1 4.07Å; R89-F107 HydrophobicContact CB-CZ 4.45Å
90	A	71	Confident	67.6	Low	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-46.2	178.1	0	0	0	0	0	111.5	C86 L87 L93 E94 V102 P104 F107	C86-A90 WeakPolarHBondContact O-CB 3.31Å; C86-A90 PolarHBondContact O-N 2.87Å; L87-A90 WeakPolarHBondContact O-CB 3.26Å; L87-A90 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 3.02Å; A90-E94 PolarHBondContact O-N 3.41Å; A90-V102 HydrophobicContact CB-CG1 4.14Å; A90-P104 HydrophobicContact CB-CB 3.94Å; A90-P104 HydrophobicContact CB-CG 4.5Å; A90-F107 HydrophobicContact CB-CB 4.01Å; A90-F107 HydrophobicContact CB-CD1 3.4Å; A90-F107 VanDerWaalsContact CB-CD1 3.4Å; A90-F107 HydrophobicContact CB-CE1 4.03Å; A90-F107 HydrophobicContact CB-CG 3.78Å
91	M	71.3	Confident	66.4	Low	34 Å²	34	45 Å²	45	17%	0.167	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-49.5	178.9	-69.6	-175.4	77.5	0	0	111.3	L65 L68 L87 L88 R89 L93 E94 Y95	L65-M91 HydrophobicContact CD2-CB 4.33Å; L65-M91 HydrophobicContact CD2-CE 4.37Å; L68-M91 HydrophobicContact CD1-CE 3.29Å; L68-M91 HydrophobicContact CD1-SD 3.83Å; L68-M91 HydrophobicContact CD2-CE 3.61Å; L68-M91 HydrophobicContact CG-CE 4.03Å; L87-M91 WeakPolarHBondContact O-CB 3.39Å; L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 3.24Å; L88-M91 PolarHBondContact O-N 3.31Å; R89-M91 VanDerWaalsContact C-N 3.29Å; R89-M91 PolarHBondContact O-N 2.88Å; M91-L93 VanDerWaalsContact C-N 3.28Å; M91-L93 PolarHBondContact O-N 3.35Å; M91-E94 VanDerWaalsContact O-CB 3.3Å; M91-E94 WeakPolarHBondContact O-CB 3.32Å; M91-E94 PolarHBondContact O-N 3.45Å; M91-E94 VanDerWaalsContact O-N 3.14Å; M91-Y95 HydrophobicContact CE-CE2 4.45Å; M91-Y95 WeakPolarHBondContact O-CD2 3.34Å; M91-Y95 PolarHBondContact O-N 3.23Å
92	I	70	Confident	65.5	Low	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-41.8	178.6	-68	171	0	0	0	110.6	L16 I22 F42 F55 L88 R89 Y95 E96	L16-I92 HydrophobicContact CD1-CG2 3.58Å; L16-I92 HydrophobicContact CD2-CB 3.79Å; L16-I92 HydrophobicContact CD2-CG2 3.47Å; L16-I92 VanDerWaalsContact CD2-CG2 3.47Å; L16-I92 HydrophobicContact CG-CG2 4.08Å; I22-I92 HydrophobicContact CD1-CD1 3.64Å; I22-I92 HydrophobicContact CG1-CD1 4.4Å; I22-I92 HydrophobicContact CG2-CD1 4.48Å; F42-I92 HydrophobicContact CD2-CD1 4.43Å; F55-I92 HydrophobicContact CD2-CG2 4.3Å; F55-I92 HydrophobicContact CE2-CG2 3.49Å; F55-I92 VanDerWaalsContact CE2-CG2 3.49Å; F55-I92 HydrophobicContact CZ-CG2 3.89Å; L88-I92 WeakPolarHBondContact O-CB 3.38Å; L88-I92 WeakPolarHBondContact O-CG1 3.24Å; L88-I92 PolarHBondContact O-N 2.83Å; R89-I92 PolarHBondContact O-N 2.86Å; I92-Y95 PolarHBondContact O-N 3.3Å; I92-Y95 VanDerWaalsContact O-N 3.15Å; I92-E96 HydrophobicContact CG2-CG 4.31Å; I92-E96 PolarHBondContact O-N 2.83Å
93	L	67.2	Low	64.9	Low	27 Å²	27	41.9 Å²	41.9	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-43.6	174	-96.2	140.1	0	0	0	112.5	L16 L17 R89 A90 M91 Y95 E96 S97 V102 F107	L16-L93 HydrophobicContact CB-CD1 4.18Å; L16-L93 HydrophobicContact CB-CG 4.16Å; L16-L93 HydrophobicContact CD1-CG 4.49Å; L16-L93 HydrophobicContact CD2-CD1 4.4Å; L16-L93 HydrophobicContact CD2-CG 4.43Å; L17-L93 HydrophobicContact CD2-CD1 3.93Å; L17-L93 HydrophobicContact CG-CD1 4.27Å; L17-L93 HydrophobicContact CG-CD2 4.45Å; R89-L93 WeakPolarHBondContact O-CB 3.29Å; R89-L93 WeakPolarHBondContact O-CD1 3.34Å; R89-L93 PolarHBondContact O-N 2.97Å; A90-L93 PolarHBondContact O-N 3.02Å; M91-L93 VanDerWaalsContact C-N 3.28Å; M91-L93 PolarHBondContact O-N 3.35Å; L93-Y95 PolarHBondContact O-N 3.2Å; L93-E96 PolarHBondContact O-N 3.11Å; L93-S97 WeakPolarHBondContact O-CB 3.44Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.14Å; L93-V102 HydrophobicContact CB-CG2 4.49Å; L93-F107 HydrophobicContact CD1-CE1 4.4Å; L93-F107 HydrophobicContact CD1-CE2 3.61Å; L93-F107 HydrophobicContact CD1-CZ 3.44Å; L93-F107 VanDerWaalsContact CD1-CZ 3.44Å
94	E	62.7	Low	64.4	Low	45 Å²	45	40.3 Å²	40.3	21%	0.21	20%	0.203	C	C	.	.	H	α-helix	trans	-54.6	-45.6	173.3	-163.4	-171.8	171	0	0	110.2	A90 M91 S97 I100 V102	A90-E94 PolarHBondContact O-N 3.41Å; M91-E94 VanDerWaalsContact O-CB 3.3Å; M91-E94 WeakPolarHBondContact O-CB 3.32Å; M91-E94 PolarHBondContact O-N 3.45Å; M91-E94 VanDerWaalsContact O-N 3.14Å; E94-S97 PolarHBondContact O-OG 3.35Å; E94-I100 WeakPolarHBondContact CG-O 3.46Å; E94-V102 HydrophobicContact CB-CB 4.1Å; E94-V102 HydrophobicContact CB-CG2 4.17Å; E94-V102 HydrophobicContact CG-CB 4.41Å
95	Y	61.3	Low	63.4	Low	24 Å²	24	46 Å²	46	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-72.9	-40.9	-179	-73	-68.2	0	0	0	114.1	Q61 K64 L65 M91 I92 L93 S97 H98	Q61-Y95 HydrophobicContact CB-CD1 3.93Å; Q61-Y95 HydrophobicContact CB-CG 4.39Å; Q61-Y95 HydrophobicContact CG-CD1 3.98Å; K64-Y95 HydrophobicContact CB-CE1 4.15Å; K64-Y95 HydrophobicContact CD-CE1 3.94Å; K64-Y95 WeakPolarHBondContact CD-OH 2.99Å; K64-Y95 WeakPolarHBondContact CE-OH 3.3Å; K64-Y95 HydrophobicContact CG-CE1 4.38Å; K64-Y95 WeakPolarHBondContact CG-OH 2.99Å; K64-Y95 PolarHBondContact NZ-OH 2.82Å; L65-Y95 HydrophobicContact CD1-CD2 3.81Å; L65-Y95 HydrophobicContact CD1-CE2 4.38Å; L65-Y95 HydrophobicContact CD1-CG 4.2Å; L65-Y95 HydrophobicContact CD2-CD2 3.6Å; L65-Y95 HydrophobicContact CD2-CE2 3.56Å; L65-Y95 HydrophobicContact CG-CD2 3.68Å; L65-Y95 HydrophobicContact CG-CE2 3.75Å; L65-Y95 HydrophobicContact CG-CG 4.4Å; M91-Y95 HydrophobicContact CE-CE2 4.45Å; M91-Y95 WeakPolarHBondContact O-CD2 3.34Å; M91-Y95 PolarHBondContact O-N 3.23Å; I92-Y95 PolarHBondContact O-N 3.3Å; I92-Y95 VanDerWaalsContact O-N 3.15Å; L93-Y95 PolarHBondContact O-N 3.2Å; Y95-S97 VanDerWaalsContact C-N 3.31Å; Y95-H98 PolarHBondContact O-N 2.79Å
96	E	59.7	Low	62.5	Low	44 Å²	44	49.2 Å²	49.2	21%	0.206	25%	0.25	C	C	.	.	H	α-helix	trans	-68.5	-33.3	176.6	-72.7	-162.7	-172.3	0	0	112.1	S12 L16 R44 F55 I92 L93 H98	S12-E96 PolarHBondContact OG-OE2 3.06Å; L16-E96 HydrophobicContact CD1-CG 3.99Å; L16-E96 WeakPolarHBondContact CD1-OE1 3.34Å; L16-E96 WeakPolarHBondContact CD1-OE2 3.46Å; R44-E96 IonicContact NH2-OE1 3.34Å; F55-E96 HydrophobicContact CD2-CG 4.28Å; F55-E96 WeakPolarHBondContact CD2-OE1 3.32Å; F55-E96 HydrophobicContact CE2-CG 3.65Å; F55-E96 VanDerWaalsContact CE2-OE1 3.28Å; F55-E96 WeakPolarHBondContact CE2-OE1 3.36Å; I92-E96 HydrophobicContact CG2-CG 4.31Å; I92-E96 PolarHBondContact O-N 2.83Å; L93-E96 PolarHBondContact O-N 3.11Å; E96-H98 PolarHBondContact O-N 3.4Å; E96-H98 VanDerWaalsContact O-N 3.14Å; E96-H98 PolarHBondContact O-ND1 3.35Å
97	S	59.3	Low	62	Low	19 Å²	19	50.5 Å²	50.5	13%	0.133	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	-178.4	76.5	0	0	0	0	113.4	L93 E94 Y95 S99 I100	L93-S97 WeakPolarHBondContact O-CB 3.44Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.14Å; E94-S97 PolarHBondContact O-OG 3.35Å; Y95-S97 VanDerWaalsContact C-N 3.31Å; S97-S99 WeakPolarHBondContact O-CB 3.31Å; S97-S99 PolarHBondContact O-N 3.33Å; S97-I100 VanDerWaalsContact OG-CB 3.32Å; S97-I100 WeakPolarHBondContact OG-CB 3.44Å; S97-I100 PolarHBondContact OG-N 3.37Å; S97-I100 PolarHBondContact OG-O 2.84Å
98	H	52.9	Low	61.5	Low	134 Å²	134	48.7 Å²	48.7	62%	0.62	25%	0.246	S	C	*	.	S	Bend	trans	50.5	2.9	-179.3	-73.4	75.2	0	0	0	115.3	Q61 Y95 E96	Q61-H98 PolarHBondContact NE2-CD2 3.24Å; Q61-H98 VanDerWaalsContact NE2-CD2 3.29Å; Q61-H98 PolarHBondContact NE2-CE1 2.74Å; Q61-H98 PolarHBondContact NE2-NE2 3.11Å; Y95-H98 PolarHBondContact O-N 2.79Å; E96-H98 PolarHBondContact O-N 3.4Å; E96-H98 VanDerWaalsContact O-N 3.14Å; E96-H98 PolarHBondContact O-ND1 3.35Å
99	S	46.7	Very low	60.6	Low	58 Å²	58	54.1 Å²	54.1	41%	0.406	28%	0.275	S	S	.	.	S	Bend	trans	-170.2	-7.2	-158.3	-72	0	0	0	0	114.7	S97	S97-S99 WeakPolarHBondContact O-CB 3.31Å; S97-S99 PolarHBondContact O-N 3.33Å
100	I	50.1	Low	59.5	Low	80 Å²	80	59.7 Å²	59.7	41%	0.41	30%	0.297	S	S	.	.			trans	-111	115.8	177.8	-53.2	175.3	0	0	0	107.7	E94 S97 V102 I729	E94-I100 WeakPolarHBondContact CG-O 3.46Å; S97-I100 VanDerWaalsContact OG-CB 3.32Å; S97-I100 WeakPolarHBondContact OG-CB 3.44Å; S97-I100 PolarHBondContact OG-N 3.37Å; S97-I100 PolarHBondContact OG-O 2.84Å; I100-V102 HydrophobicContact CG2-CG2 4.11Å; I100-V102 PolarHBondContact O-N 3.21Å; I100-I729 HydrophobicContact CG1-CD1 4.21Å
101	F	50.9	Low	58.7	Low	156 Å²	156	61 Å²	61	68%	0.684	30%	0.303	S	S	*	.			trans	-68.9	114.2	163.3	178.6	-101.3	0	0	0	107.5	D103	F101-D103 HydrophobicContact CE1-CB 4.04Å
102	V	54.4	Low	57.8	Low	20 Å²	20	62.7 Å²	62.7	12%	0.121	31%	0.308	C	S	.	.			trans	-99.2	107.7	174.8	-179.6	0	0	0	0	105.8	A90 L93 E94 I100 P104 F107	A90-V102 HydrophobicContact CB-CG1 4.14Å; L93-V102 HydrophobicContact CB-CG2 4.49Å; E94-V102 HydrophobicContact CB-CB 4.1Å; E94-V102 HydrophobicContact CB-CG2 4.17Å; E94-V102 HydrophobicContact CG-CB 4.41Å; I100-V102 HydrophobicContact CG2-CG2 4.11Å; I100-V102 PolarHBondContact O-N 3.21Å; V102-P104 WeakPolarHBondContact O-CD 3.27Å; V102-P104 VanDerWaalsContact O-N 3.16Å; V102-F107 HydrophobicContact CG1-CB 3.64Å; V102-F107 HydrophobicContact CG1-CD2 3.83Å; V102-F107 HydrophobicContact CG1-CG 3.88Å
103	D	58.8	Low	56.4	Low	58 Å²	58	68.4 Å²	68.4	31%	0.31	34%	0.338	S	S	.	.			trans	-64.9	112.7	169	170.6	45.2	0	0	0	108.2	F101 K105 S106 F107	F101-D103 HydrophobicContact CE1-CB 4.04Å; D103-K105 PolarHBondContact O-N 3.43Å; D103-K105 VanDerWaalsContact O-N 3.16Å; D103-S106 PolarHBondContact O-N 3.31Å; D103-S106 WeakPolarHBondContact OD2-CB 3.27Å; D103-S106 PolarHBondContact OD2-N 3.19Å; D103-S106 PolarHBondContact OD2-OG 3.22Å; D103-F107 WeakPolarHBondContact O-CB 3.39Å; D103-F107 PolarHBondContact O-N 2.94Å
104	P	58.4	Low	55.3	Low	32 Å²	32	71.8 Å²	71.8	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-29.9	-173.1	-23.5	35.5	0	0	0	112.3	L87 A90 V102 C108	L87-P104 HydrophobicContact CD2-CB 3.53Å; A90-P104 HydrophobicContact CB-CB 3.94Å; A90-P104 HydrophobicContact CB-CG 4.5Å; V102-P104 WeakPolarHBondContact O-CD 3.27Å; V102-P104 VanDerWaalsContact O-N 3.16Å; P104-C108 WeakPolarHBondContact O-CB 3.25Å; P104-C108 PolarHBondContact O-N 3.03Å; P104-C108 PolarHBondContact O-SG 3.32Å
105	K	57.3	Low	54.4	Low	139 Å²	139	75.8 Å²	75.8	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-66.6	-52.5	176.4	-70.5	-176.9	178.3	-177.5	0	111.5	D103 F107 C108 L109	D103-K105 PolarHBondContact O-N 3.43Å; D103-K105 VanDerWaalsContact O-N 3.16Å; K105-F107 VanDerWaalsContact C-N 3.31Å; K105-F107 PolarHBondContact O-N 2.87Å; K105-C108 PolarHBondContact O-N 3.29Å; K105-L109 WeakPolarHBondContact O-CB 2.99Å; K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 3.38Å
106	S	61.1	Low	53.5	Low	71 Å²	71	81.8 Å²	81.8	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-40.6	178	-61	0	0	0	0	111.7	D103 C108 Y110	D103-S106 PolarHBondContact O-N 3.31Å; D103-S106 WeakPolarHBondContact OD2-CB 3.27Å; D103-S106 PolarHBondContact OD2-N 3.19Å; D103-S106 PolarHBondContact OD2-OG 3.22Å; S106-C108 VanDerWaalsContact C-N 3.35Å; S106-Y110 VanDerWaalsContact O-CB 3.28Å; S106-Y110 WeakPolarHBondContact O-CB 3.17Å; S106-Y110 PolarHBondContact O-N 3.18Å
107	F	64.4	Low	52.2	Low	31 Å²	31	81.4 Å²	81.4	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-59.7	-46.7	175.6	-179.8	-93.3	0	0	0	111.4	L17 R89 A90 L93 V102 D103 K105 Y110 Q111	L17-F107 HydrophobicContact CD2-CE2 3.82Å; L17-F107 HydrophobicContact CD2-CZ 3.92Å; R89-F107 HydrophobicContact CB-CE1 4.07Å; R89-F107 HydrophobicContact CB-CZ 4.45Å; A90-F107 HydrophobicContact CB-CB 4.01Å; A90-F107 HydrophobicContact CB-CD1 3.4Å; A90-F107 VanDerWaalsContact CB-CD1 3.4Å; A90-F107 HydrophobicContact CB-CE1 4.03Å; A90-F107 HydrophobicContact CB-CG 3.78Å; L93-F107 HydrophobicContact CD1-CE1 4.4Å; L93-F107 HydrophobicContact CD1-CE2 3.61Å; L93-F107 HydrophobicContact CD1-CZ 3.44Å; L93-F107 VanDerWaalsContact CD1-CZ 3.44Å; V102-F107 HydrophobicContact CG1-CB 3.64Å; V102-F107 HydrophobicContact CG1-CD2 3.83Å; V102-F107 HydrophobicContact CG1-CG 3.88Å; D103-F107 WeakPolarHBondContact O-CB 3.39Å; D103-F107 PolarHBondContact O-N 2.94Å; K105-F107 VanDerWaalsContact C-N 3.31Å; K105-F107 PolarHBondContact O-N 2.87Å; F107-Y110 PolarHBondContact O-N 2.8Å; F107-Q111 WeakPolarHBondContact O-CB 3.15Å; F107-Q111 PolarHBondContact O-N 3.06Å
108	C	62.8	Low	51	Low	10 Å²	10	87.4 Å²	87.4	7%	0.068	45%	0.447	C	S	.	.	H	α-helix	trans	-69.6	-42.3	-179.6	-67.5	0	0	0	0	113.7	C86 P104 K105 S106 Y110 Q111 Y112	C86-C108 HydrophobicContact CB-CB 3.99Å; C86-C108 WeakPolarHBondContact CB-SG 3.37Å; C86-C108 WeakPolarHBondContact SG-CA 3.08Å; C86-C108 WeakPolarHBondContact SG-CB 3.25Å; C86-C108 CovalentContact SG-SG 2.03Å; C86-C108 PolarHBondContact SG-SG 2.91Å; P104-C108 WeakPolarHBondContact O-CB 3.25Å; P104-C108 PolarHBondContact O-N 3.03Å; P104-C108 PolarHBondContact O-SG 3.32Å; K105-C108 PolarHBondContact O-N 3.29Å; S106-C108 VanDerWaalsContact C-N 3.35Å; C108-Y110 VanDerWaalsContact C-N 3.27Å; C108-Y110 PolarHBondContact O-N 3.46Å; C108-Q111 PolarHBondContact O-N 3.34Å; C108-Y112 HydrophobicContact CB-CD2 4.46Å; C108-Y112 HydrophobicContact CB-CE2 4.27Å; C108-Y112 WeakPolarHBondContact O-CD2 3.42Å; C108-Y112 PolarHBondContact O-N 2.94Å
109	L	58.7	Low	49.9	Very low	116 Å²	116	88.5 Å²	88.5	61%	0.607	46%	0.457	S	S	*	.	H	α-helix	trans	-57.8	-43.4	173.4	-70.7	169.3	0	0	0	111.3	K105 Q111 Y112 D113	K105-L109 WeakPolarHBondContact O-CB 2.99Å; K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 3.38Å; L109-Q111 PolarHBondContact O-N 2.89Å; L109-Y112 PolarHBondContact O-N 2.89Å; L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 PolarHBondContact O-N 3.1Å
110	Y	51.3	Low	49.2	Very low	156 Å²	156	92.3 Å²	92.3	61%	0.612	47%	0.471	S	S	*	.	H	α-helix	trans	-64.3	-39	176.9	-174.6	-106.4	0	0	0	112.8	S106 F107 C108 D113 I114	S106-Y110 VanDerWaalsContact O-CB 3.28Å; S106-Y110 WeakPolarHBondContact O-CB 3.17Å; S106-Y110 PolarHBondContact O-N 3.18Å; F107-Y110 PolarHBondContact O-N 2.8Å; C108-Y110 VanDerWaalsContact C-N 3.27Å; C108-Y110 PolarHBondContact O-N 3.46Å; Y110-D113 PolarHBondContact O-N 3.22Å; Y110-I114 HydrophobicContact CD1-CD1 3.68Å; Y110-I114 HydrophobicContact CE1-CD1 3.22Å; Y110-I114 HydrophobicContact CE1-CG1 4.33Å; Y110-I114 HydrophobicContact CE2-CD1 4.29Å; Y110-I114 HydrophobicContact CG-CD1 4.4Å; Y110-I114 WeakPolarHBondContact O-CG1 3.3Å; Y110-I114 PolarHBondContact O-N 3.1Å; Y110-I114 VanDerWaalsContact O-N 3.13Å
111	Q	54	Low	48.1	Very low	26 Å²	26	95.9 Å²	95.9	12%	0.121	49%	0.492	C	S	.	.	H	α-helix	trans	-68.9	-39.6	178	-168.9	163.1	-0.4	0	0	111.9	F107 C108 L109 I114 E115	F107-Q111 WeakPolarHBondContact O-CB 3.15Å; F107-Q111 PolarHBondContact O-N 3.06Å; C108-Q111 PolarHBondContact O-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.89Å; Q111-I114 PolarHBondContact O-N 2.88Å; Q111-E115 WeakPolarHBondContact O-CG 3.04Å; Q111-E115 PolarHBondContact O-N 2.93Å; Q111-E115 VanDerWaalsContact O-N 3.1Å
112	Y	52.1	Low	47	Very low	70 Å²	70	92 Å²	92	28%	0.275	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-39.5	172.5	-72.9	-65.9	0	0	0	112.2	T82 T83 C108 L109 I114 E115 D116	T82-Y112 VanDerWaalsContact C-OH 3.26Å; T82-Y112 WeakPolarHBondContact CB-OH 3.46Å; T82-Y112 PolarHBondContact O-OH 2.96Å; T82-Y112 PolarHBondContact OG1-OH 2.87Å; T82-Y112 VanDerWaalsContact OG1-OH 3.11Å; T83-Y112 PolarHBondContact N-OH 2.98Å; C108-Y112 HydrophobicContact CB-CD2 4.46Å; C108-Y112 HydrophobicContact CB-CE2 4.27Å; C108-Y112 WeakPolarHBondContact O-CD2 3.42Å; C108-Y112 PolarHBondContact O-N 2.94Å; L109-Y112 PolarHBondContact O-N 2.89Å; Y112-I114 VanDerWaalsContact C-N 3.28Å; Y112-I114 PolarHBondContact O-N 2.89Å; Y112-E115 PolarHBondContact O-N 3.06Å; Y112-D116 WeakPolarHBondContact O-CB 3.33Å; Y112-D116 PolarHBondContact O-N 2.99Å
113	D	39.8	Very low	45.7	Very low	120 Å²	120	99.9 Å²	99.9	64%	0.642	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-29.9	176.8	-80.3	-23.8	0	0	0	112.9	L109 Y110 G117	L109-D113 WeakPolarHBondContact O-CB 3.41Å; L109-D113 PolarHBondContact O-N 3.1Å; Y110-D113 PolarHBondContact O-N 3.22Å; D113-G117 PolarHBondContact O-N 2.84Å
114	I	44	Very low	44.2	Very low	98 Å²	98	106.7 Å²	106.7	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-77.1	-35.2	173.9	-68	168.4	0	0	0	111.6	Y110 Q111 Y112	Y110-I114 HydrophobicContact CD1-CD1 3.68Å; Y110-I114 HydrophobicContact CE1-CD1 3.22Å; Y110-I114 HydrophobicContact CE1-CG1 4.33Å; Y110-I114 HydrophobicContact CE2-CD1 4.29Å; Y110-I114 HydrophobicContact CG-CD1 4.4Å; Y110-I114 WeakPolarHBondContact O-CG1 3.3Å; Y110-I114 PolarHBondContact O-N 3.1Å; Y110-I114 VanDerWaalsContact O-N 3.13Å; Q111-I114 PolarHBondContact O-N 2.88Å; Y112-I114 VanDerWaalsContact C-N 3.28Å; Y112-I114 PolarHBondContact O-N 2.89Å
115	E	45.3	Very low	42.7	Very low	129 Å²	129	112.8 Å²	112.8	60%	0.603	58%	0.583	S	S	*	*	H	α-helix	trans	-77.8	-30	-179	-72.8	179.7	-169.2	0	0	112.8	Q111 Y112	Q111-E115 WeakPolarHBondContact O-CG 3.04Å; Q111-E115 PolarHBondContact O-N 2.93Å; Q111-E115 VanDerWaalsContact O-N 3.1Å; Y112-E115 PolarHBondContact O-N 3.06Å
116	D	41.9	Very low	41.3	Very low	150 Å²	150	111.6 Å²	111.6	80%	0.802	59%	0.592	S	S	*	*	H	α-helix	trans	-96.4	-8.4	179	-78.7	-34.2	0	0	0	114.2	Y112	Y112-D116 WeakPolarHBondContact O-CB 3.33Å; Y112-D116 PolarHBondContact O-N 2.99Å
117	G	33	Very low	39.7	Very low	37 Å²	37	116.8 Å²	116.8	38%	0.381	61%	0.609	S	S	.	*	S	Bend	trans	-119.9	115.1	-175.1	0	0	0	0	0	114.5	D113	D113-G117 PolarHBondContact O-N 2.84Å
118	D	34	Very low	38.1	Very low	144 Å²	144	121.1 Å²	121.1	77%	0.77	63%	0.625	S	S	*	*			trans	81.9	81.5	159.8	-60.6	-22.1	0	0	0	119.3	I120	D118-I120 PolarHBondContact O-N 3.49Å
119	N	28.5	Very low	36.5	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	66%	0.661	S	S	*	*			trans	-48.6	97	145	-172.7	36.7	0	0	0	112.8
120	I	32.8	Very low	35	Very low	138 Å²	138	130.9 Å²	130.9	71%	0.708	67%	0.673	S	S	*	*			trans	-146.2	107.2	152.5	-71.2	106.2	0	0	0	110.7	D118	D118-I120 PolarHBondContact O-N 3.49Å
121	D	27.3	Very low	33.8	Very low	156 Å²	156	134.7 Å²	134.7	83%	0.834	69%	0.686	S	S	*	*			trans	30.6	116.3	142.2	-61.8	-31.7	0	0	0	121.3
122	G	27.8	Very low	32.7	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	72%	0.718	S	S	*	*			trans	165.6	71.5	160.1	0	0	0	0	0	114.1	F124	G122-F124 PolarHBondContact O-N 3.38Å
123	Q	26.6	Very low	31.7	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	75%	0.748	S	S	*	*	S	Bend	trans	15.1	100.1	158	-73.1	172.6	-15.8	0	0	116.3
124	F	27.5	Very low	31.2	Very low	200 Å²	200	150.4 Å²	150.4	88%	0.877	76%	0.762	S	S	*	*	S	Bend	trans	149.5	7.6	152.1	-92.7	-78.4	0	0	0	115	G122	G122-F124 PolarHBondContact O-N 3.38Å
125	H	26.8	Very low	30.6	Very low	160 Å²	160	154.8 Å²	154.8	74%	0.741	78%	0.777	S	S	*	*			trans	-126.7	90.9	176.9	-95.4	15.1	0	0	0	111.9
126	S	28.3	Very low	29.8	Very low	114 Å²	114	156.6 Å²	156.6	80%	0.797	79%	0.791	S	S	*	*			trans	-169.4	79.6	170.1	164.4	0	0	0	0	110.6
127	Q	27.7	Very low	29	Very low	180 Å²	180	161.9 Å²	161.9	84%	0.841	80%	0.8	S	S	*	*	S	Bend	trans	-140.4	-4.7	156.6	-111.1	175.1	2.3	0	0	114.4
128	Y	30.2	Very low	28.8	Very low	123 Å²	123	163 Å²	163	48%	0.482	81%	0.811	S	S	.	*	S	Bend	trans	-109.2	-4	-168.4	-74.2	-80.4	0	0	0	116.4	L31 E34	L31-Y128 HydrophobicContact CD1-CD1 3.5Å; L31-Y128 VanDerWaalsContact CD1-CD1 3.5Å; L31-Y128 HydrophobicContact CD1-CE1 3.85Å; E34-Y128 HydrophobicContact CG-CE1 4.34Å; E34-Y128 VanDerWaalsContact OE1-CE1 3.23Å; E34-Y128 WeakPolarHBondContact OE1-CE1 3.16Å
129	V	30	Very low	28.4	Very low	135 Å²	135	167 Å²	167	82%	0.818	82%	0.818	S	S	*	*	S	Bend	trans	-145.2	76.6	-177.4	-168.8	0	0	0	0	111
130	K	27.1	Very low	28.4	Very low	196 Å²	196	164 Å²	164	85%	0.852	81%	0.807	S	S	*	*	S	Bend	trans	-176.6	85.9	160.3	-105.8	164.9	-169.7	172.5	0	111
131	R	25.9	Very low	28	Very low	235 Å²	235	164.8 Å²	164.8	89%	0.887	81%	0.812	S	S	*	*	S	Bend	trans	155.7	118.5	143.8	-88.3	160	175.5	138.1	-2.7	109
132	D	29.6	Very low	27.9	Very low	148 Å²	148	166.8 Å²	166.8	79%	0.791	81%	0.814	S	S	*	*	S	Bend	trans	133.8	-10.3	150.3	-63.4	-21.6	0	0	0	117.7	R134	D132-R134 PolarHBondContact O-N 3Å
133	V	32.4	Very low	27.7	Very low	149 Å²	149	171.4 Å²	171.4	90%	0.903	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	17.4	173.5	-161.6	0	0	0	0	113.1	K135	V133-K135 PolarHBondContact O-N 2.92Å
134	R	28.6	Very low	27.8	Very low	249 Å²	249	170.3 Å²	170.3	94%	0.94	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	11.5	178.2	-94	-173.7	-173.9	173.7	1.8	114.9	D132	D132-R134 PolarHBondContact O-N 3Å
135	K	31.3	Very low	27.7	Very low	191 Å²	191	165.3 Å²	165.3	83%	0.83	81%	0.807	S	S	*	*	S	Bend	trans	-117	-5.1	-172.9	-88	-174.1	175.7	-179.1	0	118.5	V133	V133-K135 PolarHBondContact O-N 2.92Å
136	N	28.9	Very low	27.8	Very low	167 Å²	167	163.1 Å²	163.1	89%	0.893	80%	0.8	S	S	*	*			trans	-128.4	85.5	174	-75.4	-22.7	0	0	0	111.3
137	R	25.9	Very low	28.1	Very low	260 Å²	260	162.2 Å²	162.2	98%	0.981	79%	0.792	S	S	*	*			trans	-84	129	161.3	-89	-176.2	172	170.1	-2.9	108.6
138	G	28.1	Very low	28.2	Very low	61 Å²	61	159 Å²	159	63%	0.629	78%	0.78	S	S	*	*			trans	-170.9	83.7	170.6	0	0	0	0	0	113.8
139	Y	25.8	Very low	28.1	Very low	229 Å²	229	161.3 Å²	161.3	90%	0.898	79%	0.792	S	S	*	*			trans	75.4	156.9	144.7	-81.1	-81.8	0	0	0	120.3
140	P	27.3	Very low	28.1	Very low	94 Å²	94	161.4 Å²	161.4	61%	0.61	79%	0.793	S	S	*	*				-126.9	-179.8	-126.1	26.1	0.4	0	0	0	113.7
141	N	24.6	Very low	28.1	Very low	154 Å²	154	158.2 Å²	158.2	82%	0.824	79%	0.785	S	S	*	*			trans	33.7	92.2	158.6	-73.2	-23	0	0	0	117.2
142	F	25.4	Very low	28.2	Very low	198 Å²	198	155.7 Å²	155.7	87%	0.868	78%	0.78	S	S	*	*			trans	-147	138.7	157.7	-107.4	-83.6	0	0	0	113.2	L144	F142-L144 PolarHBondContact O-N 3.45Å
143	M	23.7	Very low	28.1	Very low	170 Å²	170	154 Å²	154	84%	0.837	78%	0.777	S	S	*	*			trans	-42.1	123.9	176.7	-61.5	-179.9	-172.2	0	0	112.4	S145	M143-S145 PolarHBondContact O-N 3.12Å
144	L	28.1	Very low	27.8	Very low	164 Å²	164	157.3 Å²	157.3	86%	0.859	78%	0.775	S	S	*	*			trans	-77	77.7	170.6	-76.8	167.1	0	0	0	110.1	F142	F142-L144 PolarHBondContact O-N 3.45Å
145	S	26.3	Very low	27.7	Very low	94 Å²	94	155.3 Å²	155.3	66%	0.657	77%	0.769	S	S	*	*			trans	-61.3	137.3	154.6	54.9	0	0	0	0	109.8	M143	M143-S145 PolarHBondContact O-N 3.12Å
146	N	29.8	Very low	27.5	Very low	114 Å²	114	155.2 Å²	155.2	61%	0.61	77%	0.769	S	S	*	*			trans	-9.6	113.6	173.3	-149.9	-12	0	0	0	117.9	L148	N146-L148 PolarHBondContact O-N 2.72Å
147	P	33.2	Very low	27.4	Very low	96 Å²	96	153 Å²	153	62%	0.623	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	17.5	-173.5	31.2	-32.9	0	0	0	115.7
148	L	30.6	Very low	27.4	Very low	111 Å²	111	149 Å²	149	58%	0.581	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	12.4	177.6	-66.4	174.5	0	0	0	114.9	P69 N146	P69-L148 HydrophobicContact CG-CD2 4.13Å; N146-L148 PolarHBondContact O-N 2.72Å
149	K	28.6	Very low	27.3	Very low	172 Å²	172	153.3 Å²	153.3	75%	0.748	77%	0.765	S	S	*	*			trans	-143.7	91	174.4	-81.6	-175.1	176.6	177.3	0	112.7
150	T	28.6	Very low	27.4	Very low	137 Å²	137	147 Å²	147	84%	0.84	75%	0.754	S	S	*	*			trans	-151.5	86.9	153.3	32.7	0	0	0	0	110.4
151	I	27.4	Very low	27.4	Very low	130 Å²	130	152 Å²	152	67%	0.667	76%	0.762	S	S	*	*			trans	-110.5	91.2	154.5	-62.9	177	0	0	0	106.1
152	K	28.7	Very low	27.4	Very low	182 Å²	182	152 Å²	152	79%	0.791	76%	0.757	S	S	*	*			trans	165.9	121.4	132.4	-91.4	-178.4	-177.9	-173.2	0	109.1
153	P	27.4	Very low	27.5	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.2	168.4	29.9	-28.8	0	0	0	108.9
154	Y	25.4	Very low	27.8	Very low	218 Å²	218	150.2 Å²	150.2	86%	0.855	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-85.4	119.3	166.5	-116.5	-92	0	0	0	108
155	Y	27.8	Very low	27.9	Very low	206 Å²	206	149.2 Å²	149.2	81%	0.808	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.8	135	168.6	-86.2	-98.3	0	0	0	109.6
156	F	26.7	Very low	28.1	Very low	189 Å²	189	150.9 Å²	150.9	83%	0.829	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-101.3	140	155.4	-87.7	-85	0	0	0	108.5
157	P	27.1	Very low	28.1	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-81.6	157.7	-168.4	30.4	-27.8	0	0	0	113.3
158	E	24.9	Very low	28.2	Very low	177 Å²	177	153.5 Å²	153.5	83%	0.827	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-49.3	139.5	179.9	-64.3	173	152.6	0	0	113.6
159	N	26.8	Very low	28.2	Very low	152 Å²	152	154 Å²	154	81%	0.813	76%	0.76	S	S	*	*				-172.7	137	124.1	-91.9	-30	0	0	0	112.1
160	S	26.3	Very low	28.2	Very low	97 Å²	97	156.8 Å²	156.8	68%	0.678	77%	0.768	S	S	*	*			trans	92.8	127	146.3	76.8	0	0	0	0	120.1
161	Y	27.9	Very low	28.2	Very low	197 Å²	197	156.7 Å²	156.7	77%	0.773	76%	0.762	S	S	*	*			trans	97.8	79	158.6	-61.3	-74.8	0	0	0	119.9
162	E	25.8	Very low	28.2	Very low	155 Å²	155	160 Å²	160	72%	0.724	77%	0.766	S	S	*	*				52.2	124.6	108.3	-71.4	-175.9	169.5	0	0	121.3
163	H	27.3	Very low	28.1	Very low	154 Å²	154	160.3 Å²	160.3	71%	0.713	76%	0.763	S	S	*	*			trans	69.5	108.1	136.6	-82.6	-67.3	0	0	0	119.6
164	M	29.6	Very low	28.1	Very low	176 Å²	176	160.2 Å²	160.2	87%	0.867	76%	0.76	S	S	*	*				173.9	136.7	90.7	-84.5	-130.8	148.6	0	0	112.8
165	N	29.4	Very low	28.2	Very low	144 Å²	144	156.7 Å²	156.7	77%	0.77	76%	0.756	S	S	*	*			trans	-64.6	154.2	175.7	-62.7	-35.6	0	0	0	113
166	N	30.8	Very low	28.2	Very low	128 Å²	128	154.6 Å²	154.6	68%	0.684	76%	0.759	S	S	*	*				168.4	129.7	105	-94.6	-1.4	0	0	0	112.1
167	D	30.7	Very low	28.2	Very low	119 Å²	119	150.6 Å²	150.6	64%	0.636	75%	0.752	S	S	*	*			trans	61.6	111.4	131.9	-51.9	-25	0	0	0	120.7
168	N	34.1	Very low	28.2	Very low	146 Å²	146	153.3 Å²	153.3	78%	0.781	76%	0.758	S	S	*	*				164	120	93.5	-87.1	-51.2	0	0	0	113
169	D	30.2	Very low	28.2	Very low	122 Å²	122	152.4 Å²	152.4	65%	0.652	76%	0.759	S	S	*	*			trans	15.4	132.7	136.9	-94.7	-33.2	0	0	0	120.4
170	Y	28.8	Very low	28.3	Very low	231 Å²	231	155.3 Å²	155.3	91%	0.906	76%	0.764	S	S	*	*				-172.4	122.3	101.2	-113.7	-90.9	0	0	0	112.2
171	N	29.7	Very low	28.3	Very low	135 Å²	135	154.1 Å²	154.1	72%	0.722	77%	0.767	S	S	*	*			trans	-61.2	160.5	173.1	-73	-68.3	0	0	0	114.4
172	R	25.9	Very low	28.3	Very low	198 Å²	198	155 Å²	155	75%	0.747	78%	0.775	S	S	*	*				136.4	143.1	109	-151.5	178.4	162.9	-179.1	0.6	116
173	W	28.6	Very low	28.3	Very low	190 Å²	190	155.6 Å²	155.6	72%	0.72	78%	0.783	S	S	*	*			trans	85.4	102.2	163.6	-51.8	85.9	0	0	0	117.5
174	T	26.5	Very low	28.5	Very low	111 Å²	111	153.1 Å²	153.1	68%	0.681	79%	0.789	S	S	*	*				67.1	121.5	60.6	65.8	0	0	0	0	117.5
175	D	26.9	Very low	28.3	Very low	143 Å²	143	153.5 Å²	153.5	77%	0.765	79%	0.789	S	S	*	*			trans	78	115	149.4	-54.5	-27.1	0	0	0	122
176	N	27.5	Very low	28.2	Very low	163 Å²	163	155.2 Å²	155.2	87%	0.872	79%	0.794	S	S	*	*				-172.1	153.1	103.3	-111.4	-22	0	0	0	115.4
177	P	28.1	Very low	28	Very low	104 Å²	104	157.8 Å²	157.8	68%	0.675	80%	0.8	S	S	*	*			trans	-109	154.2	-165.7	40.5	-31.9	0	0	0	114.1
178	I	27.5	Very low	27.9	Very low	178 Å²	178	158.6 Å²	158.6	91%	0.913	80%	0.804	S	S	*	*			trans	-143.1	102.9	154.5	-60.1	-176.3	0	0	0	109.7
179	N	24.3	Very low	27.6	Very low	158 Å²	158	158.2 Å²	158.2	85%	0.845	80%	0.802	S	S	*	*			trans	-146	111.6	163.1	-144.4	-3	0	0	0	106.8
180	K	27.6	Very low	27.4	Very low	213 Å²	213	160.7 Å²	160.7	93%	0.926	81%	0.81	S	S	*	*			trans	169.4	123.6	152.7	-99.4	172.6	-175.5	-179.1	0	112.6
181	G	26.4	Very low	27.4	Very low	71 Å²	71	158.4 Å²	158.4	73%	0.732	81%	0.807	S	S	*	*			trans	134.9	91.9	137.9	0	0	0	0	0	117.2
182	K	29.3	Very low	27.4	Very low	215 Å²	215	159.7 Å²	159.7	94%	0.935	81%	0.813	S	S	*	*				175.2	122.1	101.4	-94.6	177.1	178.2	178.4	0	112
183	N	25.9	Very low	27.6	Very low	168 Å²	168	155.4 Å²	155.4	90%	0.898	81%	0.805	S	S	*	*			trans	-74.9	145.1	165.9	-66	-21.1	0	0	0	110.7
184	A	30.5	Very low	27.8	Very low	103 Å²	103	153 Å²	153	85%	0.851	80%	0.802	S	S	*	*			trans	-160	125.3	134.1	0	0	0	0	0	109.4
185	E	25	Very low	27.9	Very low	184 Å²	184	155.2 Å²	155.2	86%	0.86	80%	0.802	S	S	*	*			trans	-68.3	149.4	-173.2	-57.9	159.2	136.7	0	0	113.1
186	M	27.2	Very low	28.2	Very low	179 Å²	179	152.4 Å²	152.4	88%	0.882	79%	0.793	S	S	*	*				-176.2	103.2	120.7	-102.8	176.6	141.6	0	0	112.2
187	K	27.4	Very low	28.6	Very low	182 Å²	182	150.8 Å²	150.8	79%	0.791	78%	0.779	S	S	*	*				52.6	131.2	129	-83.5	-176.5	176.3	-179.8	0	122.7
188	N	29.5	Very low	28.9	Very low	136 Å²	136	149.8 Å²	149.8	73%	0.727	77%	0.768	S	S	*	*			trans	95	93.8	152.2	-58.5	-6.9	0	0	0	114.2
189	N	26.1	Very low	29.2	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	75%	0.745	S	S	*	*				80.3	133.2	67.2	-84.9	8.4	0	0	0	113.5
190	E	27.6	Very low	29.7	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	74%	0.737	S	S	*	*			trans	87.8	141.1	160	-68.8	157.9	-159.8	0	0	116.7
191	E	28.3	Very low	30	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	72%	0.724	S	S	*	*			trans	87.7	88.9	171.7	-53.1	-174.5	167.1	0	0	117.6
192	L	30.5	Very low	30.1	Very low	162 Å²	162	145.4 Å²	145.4	85%	0.848	73%	0.726	S	S	*	*				-165.3	47.9	129.1	-97.9	149.9	0	0	0	110.4	H194	L192-H194 PolarHBondContact O-N 3.35Å
193	D	28.9	Very low	30.2	Very low	107 Å²	107	139.4 Å²	139.4	57%	0.572	70%	0.703	S	S	*	*			trans	-89.4	76.5	159.3	-175.2	31.1	0	0	0	108.6	K197	D193-K197 IonicContact OD1-NZ 3.34Å; D193-K197 PolarHBondContact OD1-NZ 3.27Å; D193-K197 IonicContact OD2-NZ 2.95Å; D193-K197 PolarHBondContact OD2-NZ 3.44Å
194	H	32	Very low	30.5	Very low	141 Å²	141	141.8 Å²	141.8	65%	0.653	70%	0.7	S	S	*	*	S	Bend	trans	-156.7	-9.4	161.4	-152	-97.3	0	0	0	114	L192	L192-H194 PolarHBondContact O-N 3.35Å
195	F	30.3	Very low	30.5	Very low	157 Å²	157	144.1 Å²	144.1	69%	0.689	70%	0.697	S	S	*	*	S	Bend	trans	-96.7	-10.7	-179.9	-148.6	-105.3	0	0	0	113.6	I199	F195-I199 HydrophobicContact CD1-CD1 3.97Å; F195-I199 HydrophobicContact CE1-CD1 3.77Å
196	S	33.5	Very low	30.6	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	70%	0.696	S	S	*	*	S	Bend	trans	-93.1	-16.2	179.3	-163	0	0	0	0	113.9
197	K	34.4	Very low	30.6	Very low	129 Å²	129	135.3 Å²	135.3	56%	0.561	68%	0.683	S	S	*	*	S	Bend	trans	-94.3	-19.7	178.2	-76	170.6	-176.8	143.9	0	114.8	D193	D193-K197 IonicContact OD1-NZ 3.34Å; D193-K197 PolarHBondContact OD1-NZ 3.27Å; D193-K197 IonicContact OD2-NZ 2.95Å; D193-K197 PolarHBondContact OD2-NZ 3.44Å
198	N	34.6	Very low	30.9	Very low	84 Å²	84	133.8 Å²	133.8	45%	0.449	68%	0.683	S	S	.	*	S	Bend	trans	-94	-14.3	176.6	-76.3	-31.3	0	0	0	114.5	M202	N198-M202 PolarHBondContact O-N 2.97Å
199	I	34.4	Very low	30.8	Very low	83 Å²	83	138.1 Å²	138.1	43%	0.426	69%	0.691	S	S	.	*	H	α-helix	trans	-82.1	-24	169.8	-68.3	178.3	0	0	0	111.2	F195 Q201 I203	F195-I199 HydrophobicContact CD1-CD1 3.97Å; F195-I199 HydrophobicContact CE1-CD1 3.77Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-I203 HydrophobicContact CG2-CD1 3.7Å; I199-I203 WeakPolarHBondContact O-CB 3.08Å; I199-I203 WeakPolarHBondContact O-CD1 3.23Å; I199-I203 WeakPolarHBondContact O-CG1 3.25Å; I199-I203 PolarHBondContact O-N 3.01Å
200	Q	34	Very low	31.1	Very low	146 Å²	146	139 Å²	139	68%	0.682	69%	0.691	S	S	*	*	H	α-helix	trans	-80.6	-9.6	170.3	-73.1	-165.7	-9.7	0	0	114.4
201	Q	33.4	Very low	31.3	Very low	139 Å²	139	136.7 Å²	136.7	65%	0.65	68%	0.684	S	S	*	*	H	α-helix	trans	-100	-20.7	174.5	-154.5	156.4	-7.2	0	0	113	I199	I199-Q201 VanDerWaalsContact C-N 3.34Å
202	M	30.3	Very low	31.4	Very low	159 Å²	159	133.6 Å²	133.6	78%	0.783	67%	0.673	S	S	*	*	H	α-helix	trans	-92.9	-3	167	-74.4	-152.1	-69	0	0	114.5	N198	N198-M202 PolarHBondContact O-N 2.97Å
203	I	31.5	Very low	31.3	Very low	89 Å²	89	132.7 Å²	132.7	46%	0.456	67%	0.665	S	S	.	*	S	Bend	trans	-94	2.7	166.7	-69	171.9	0	0	0	111.9	I199 L205	I199-I203 HydrophobicContact CG2-CD1 3.7Å; I199-I203 WeakPolarHBondContact O-CB 3.08Å; I199-I203 WeakPolarHBondContact O-CD1 3.23Å; I199-I203 WeakPolarHBondContact O-CG1 3.25Å; I199-I203 PolarHBondContact O-N 3.01Å; I203-L205 VanDerWaalsContact C-N 3.34Å
204	R	30.8	Very low	31.3	Very low	219 Å²	219	133.8 Å²	133.8	83%	0.826	67%	0.671	S	S	*	*	S	Bend	trans	-88.4	10.6	168.4	-87.8	-173.2	-175.5	166.1	3.4	115.1
205	L	30.6	Very low	31.1	Very low	151 Å²	151	133.5 Å²	133.5	79%	0.791	67%	0.672	S	S	*	*	S	Bend	trans	-128.9	104.3	166.5	-67.4	169.9	0	0	0	107.8	I203	I203-L205 VanDerWaalsContact C-N 3.34Å
206	S	27.8	Very low	31	Very low	121 Å²	121	133.8 Å²	133.8	85%	0.846	68%	0.676	S	S	*	*	S	Bend	trans	83.9	82.2	-176.4	98.8	0	0	0	0	117.2
207	G	27.4	Very low	30.8	Very low	58 Å²	58	138.9 Å²	138.9	60%	0.598	69%	0.688	S	S	*	*			trans	100.8	102.5	144.5	0	0	0	0	0	116.6
208	N	32.7	Very low	30.7	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	70%	0.697	S	S	*	*			trans	-158.5	92.1	143.7	-90.9	-20.8	0	0	0	109.7
209	Y	27.7	Very low	30.7	Very low	227 Å²	227	138.4 Å²	138.4	89%	0.89	71%	0.707	S	S	*	*			trans	-76.5	126.9	151.5	-106.9	-97.2	0	0	0	106.9
210	E	33	Very low	30.5	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	72%	0.722	S	S	*	*				162.9	129.2	121.5	-92.8	-176.1	-174.7	0	0	113.2
211	N	30.6	Very low	30.2	Very low	126 Å²	126	142.2 Å²	142.2	67%	0.674	72%	0.723	S	S	*	*			trans	70	131.1	141.1	-54.8	-16.4	0	0	0	117.1
212	N	30.3	Very low	30.1	Very low	117 Å²	117	144.1 Å²	144.1	63%	0.626	73%	0.732	S	S	*	*			cis	-163.4	149.4	35.2	-125.1	6	0	0	0	111.1
213	E	28.6	Very low	30.1	Very low	144 Å²	144	142.4 Å²	142.4	67%	0.673	73%	0.725	S	S	*	*			trans	62.7	107.4	140.3	-67.4	171.1	-170.2	0	0	119.5
214	N	29.5	Very low	29.7	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	74%	0.741	S	S	*	*				165.3	121	97.9	-87.5	-43	0	0	0	114.4
215	I	28	Very low	29.8	Very low	134 Å²	134	138.6 Å²	138.6	69%	0.687	74%	0.735	S	S	*	*				91.8	118.1	127.8	-61.6	169	0	0	0	120.6
216	E	29	Very low	29.9	Very low	164 Å²	164	143 Å²	143	77%	0.766	74%	0.741	S	S	*	*			trans	75.6	109	149.1	-79.2	168.3	161.8	0	0	121.4
217	F	27.4	Very low	29.8	Very low	189 Å²	189	144.9 Å²	144.9	83%	0.829	74%	0.741	S	S	*	*				76.3	129.4	91.6	-106	-93.7	0	0	0	111.8
218	D	32.7	Very low	30	Very low	139 Å²	139	148 Å²	148	74%	0.743	75%	0.749	S	S	*	*			cis	-174.9	161.9	47.6	-166.2	9.5	0	0	0	111.5
219	G	34.2	Very low	30	Very low	64 Å²	64	147.1 Å²	147.1	66%	0.66	74%	0.744	S	S	*	*			trans	101	73.4	157.6	0	0	0	0	0	117.5
220	E	30	Very low	30.3	Very low	162 Å²	162	143 Å²	143	76%	0.757	74%	0.738	S	S	*	*				70	129.1	83.3	-79.2	-153.4	146.1	0	0	117.8
221	Q	29.2	Very low	30.1	Very low	147 Å²	147	139.5 Å²	139.5	69%	0.687	73%	0.73	S	S	*	*			trans	39.8	126.9	149.8	-92	84.9	-27.8	0	0	121.1
222	E	31.4	Very low	30.3	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	73%	0.731	S	S	*	*				172.7	132.6	102.6	-152.2	164.3	-170.9	0	0	106.1
223	L	29	Very low	30.4	Very low	123 Å²	123	142.2 Å²	142.2	64%	0.644	74%	0.737	S	S	*	*			cis	178.5	117.6	-5.1	-171.3	96.6	0	0	0	104.5	N225	L223-N225 PolarHBondContact O-N 2.68Å
224	A	23.6	Very low	30.7	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	73%	0.734	S	S	*	*			trans	-63.2	129.9	167.1	0	0	0	0	0	109.3
225	N	32.7	Very low	30.8	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	74%	0.738	S	S	*	*			trans	-164.6	126.5	156.4	-98.9	-32.7	0	0	0	111.6	L223	L223-N225 PolarHBondContact O-N 2.68Å
226	R	33.2	Very low	30.7	Very low	242 Å²	242	138.8 Å²	138.8	91%	0.913	74%	0.741	S	S	*	*			trans	107.4	80.8	153.6	-62.1	168.7	177.9	-163.8	-2.3	117.8
227	L	26.5	Very low	30.7	Very low	162 Å²	162	138 Å²	138	85%	0.848	74%	0.743	S	S	*	*			trans	-60.8	167.6	142.6	-79.5	156	0	0	0	112.3
228	T	30.2	Very low	30.6	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	74%	0.743	S	S	*	*			trans	85.6	131.5	170.9	69.2	0	0	0	0	113.8
229	D	33.2	Very low	30.3	Very low	130 Å²	130	135.3 Å²	135.3	70%	0.695	75%	0.748	S	S	*	*			cis	-168.2	154.7	18.9	-112.2	-14.8	0	0	0	108.4
230	D	33.7	Very low	30	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	76%	0.755	S	S	*	*			trans	45.9	145.1	140.6	-74.7	-16.5	0	0	0	121.3
231	S	29.5	Very low	29.9	Very low	83 Å²	83	140.7 Å²	140.7	58%	0.58	76%	0.757	S	S	*	*			cis	177	169.6	3.5	49	0	0	0	0	106.3
232	N	33.6	Very low	29.9	Very low	129 Å²	129	141.8 Å²	141.8	69%	0.69	77%	0.767	S	S	*	*			trans	84.3	105.1	153.3	-68.1	-44.6	0	0	0	120.6
233	K	33.2	Very low	29.6	Very low	171 Å²	171	139.5 Å²	139.5	74%	0.743	76%	0.761	S	S	*	*				120.1	125.7	100.6	-92.7	-179.5	179.2	-178.7	0	117.7
234	D	34.5	Very low	29.4	Very low	116 Å²	116	140.7 Å²	140.7	62%	0.62	76%	0.763	S	S	*	*			trans	83	107	134.6	-67.5	-23	0	0	0	120.7
235	N	31.5	Very low	29.7	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	76%	0.759	S	S	*	*				71.6	114.8	122.9	-57.7	-30.9	0	0	0	119.9
236	G	27.4	Very low	29.5	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	76%	0.759	S	S	*	*				97	115.1	110.1	0	0	0	0	0	117.2
237	D	27.9	Very low	29.1	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	76%	0.755	S	S	*	*			trans	91.6	131.2	144	-128.1	-1.6	0	0	0	119.7
238	M	24.8	Very low	29.1	Very low	170 Å²	170	139.7 Å²	139.7	84%	0.837	75%	0.75	S	S	*	*			trans	34.7	116.5	160.9	-74.6	-179.5	-165.6	0	0	120.4
239	A	27.9	Very low	28.8	Very low	101 Å²	101	139.3 Å²	139.3	84%	0.835	75%	0.752	S	S	*	*			trans	-138.2	91.1	153.9	0	0	0	0	0	111.5
240	D	26.9	Very low	28.5	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	75%	0.747	S	S	*	*			trans	-57.6	151.9	140.1	-95.8	-37.6	0	0	0	110.3
241	K	27.6	Very low	28.2	Very low	186 Å²	186	138 Å²	138	81%	0.809	75%	0.75	S	S	*	*			trans	75.7	117.6	169.4	-59.1	166.4	179.2	172.4	0	115.9
242	L	28.7	Very low	28.1	Very low	170 Å²	170	144.7 Å²	144.7	89%	0.89	76%	0.764	S	S	*	*				-167.8	131.8	87.3	-112.4	116.7	0	0	0	111.5
243	N	25.4	Very low	27.7	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	77%	0.766	S	S	*	*			trans	-79.7	167.7	174.1	-163.9	7.1	0	0	0	109.7
244	Q	25.4	Very low	27.5	Very low	148 Å²	148	145.1 Å²	145.1	69%	0.692	77%	0.766	S	S	*	*			trans	82.3	114	161.1	-57.3	168.4	-56.7	0	0	116.7
245	D	30.8	Very low	27.3	Very low	132 Å²	132	148 Å²	148	71%	0.706	78%	0.776	S	S	*	*				-172.6	123.5	100.6	-90.7	-12.1	0	0	0	114.1
246	Y	27.1	Very low	27.3	Very low	182 Å²	182	146.4 Å²	146.4	71%	0.714	77%	0.773	S	S	*	*			trans	50.4	113.8	138.7	-67.2	-92.5	0	0	0	120.5	L248	Y246-L248 HydrophobicContact CD1-CD1 4.46Å
247	L	24.7	Very low	27.2	Very low	155 Å²	155	149.8 Å²	149.8	81%	0.812	77%	0.773	S	S	*	*				51.8	134.8	66.9	-113.6	161.7	0	0	0	113.8
248	L	26.4	Very low	27.2	Very low	142 Å²	142	151.1 Å²	151.1	74%	0.743	78%	0.779	S	S	*	*			trans	109.2	99.1	165.2	-61	149.8	0	0	0	113.8	Y246	Y246-L248 HydrophobicContact CD1-CD1 4.46Å
249	S	24.8	Very low	27.3	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	77%	0.772	S	S	*	*				73.3	117.6	83.4	166.6	0	0	0	0	113.2
250	G	26.2	Very low	27.4	Very low	58 Å²	58	150.4 Å²	150.4	60%	0.598	78%	0.775	S	S	*	*				123.7	115.3	126.4	0	0	0	0	0	116.5
251	K	26.9	Very low	27.7	Very low	188 Å²	188	152.9 Å²	152.9	82%	0.817	78%	0.778	S	S	*	*			trans	59.3	120	130.8	-65.3	177.7	175.3	178.5	0	117.6
252	Y	27.8	Very low	27.6	Very low	223 Å²	223	152 Å²	152	88%	0.875	78%	0.781	S	S	*	*				-159.1	110.9	115.7	-81	-70.3	0	0	0	105.7
253	M	26.3	Very low	27.8	Very low	149 Å²	149	149.3 Å²	149.3	73%	0.734	77%	0.774	S	S	*	*				52.2	133.6	87.4	-76.2	-171.1	146.7	0	0	111.9
254	Q	28.3	Very low	27.9	Very low	160 Å²	160	147 Å²	147	75%	0.748	77%	0.769	S	S	*	*			cis	-173.6	149	8.1	-118.5	164.2	-41.4	0	0	105.9
255	E	30	Very low	28.1	Very low	177 Å²	177	148.8 Å²	148.8	83%	0.827	78%	0.777	S	S	*	*			trans	-52.5	157.6	161.8	-113.5	174.1	-179.5	0	0	112.2
256	P	31.2	Very low	28.1	Very low	111 Å²	111	147 Å²	147	72%	0.721	78%	0.775	S	S	*	*				-155.7	149.1	83.9	37.4	-15.9	0	0	0	119.1
257	L	25.5	Very low	28.1	Very low	145 Å²	145	147.2 Å²	147.2	76%	0.759	78%	0.782	S	S	*	*				31.7	124.8	126.4	-59.4	160.8	0	0	0	121.3
258	L	28.5	Very low	28.4	Very low	176 Å²	176	144.2 Å²	144.2	92%	0.921	78%	0.78	S	S	*	*			trans	155.7	125.7	131	-106.6	87.3	0	0	0	105.9
259	G	26.3	Very low	28.7	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	79%	0.788	S	S	*	*			cis	123.6	99.8	24.5	0	0	0	0	0	107.2
260	E	31.1	Very low	28.8	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	79%	0.794	S	S	*	*			trans	179	100.4	157.7	-103.6	167.9	-174.4	0	0	109.3
261	K	31.9	Very low	28.9	Very low	204 Å²	204	157.2 Å²	157.2	89%	0.887	81%	0.809	S	S	*	*				75.6	106.7	96.4	-87.4	-173.8	176.5	179.2	0	115.6
262	L	26.8	Very low	29	Very low	166 Å²	166	157.4 Å²	157.4	87%	0.869	81%	0.812	S	S	*	*			trans	-62.9	159.7	162.7	-85.2	130.9	0	0	0	113
263	P	32.6	Very low	29.1	Very low	115 Å²	115	155 Å²	155	75%	0.747	81%	0.809	S	S	*	*				-135.1	127.1	110.9	16	4.9	0	0	0	111.5
264	S	27	Very low	29.2	Very low	85 Å²	85	154.5 Å²	154.5	59%	0.594	82%	0.815	S	S	*	*				75.3	130.3	72.7	74.9	0	0	0	0	115.6
265	E	30.5	Very low	29.4	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	82%	0.815	S	S	*	*			trans	80.2	131.3	160.6	-63.4	176.7	175.3	0	0	116.6
266	S	30.5	Very low	29.7	Very low	94 Å²	94	147.7 Å²	147.7	66%	0.657	79%	0.787	S	S	*	*			cis	-171.7	148.1	13.2	42.3	0	0	0	0	111.2
267	Q	28	Very low	29.6	Very low	187 Å²	187	146.9 Å²	146.9	87%	0.874	78%	0.782	S	S	*	*			trans	64.8	109.3	146.3	-65	172.2	11.9	0	0	120.7
268	A	30	Very low	29.9	Very low	92 Å²	92	144.2 Å²	144.2	76%	0.76	78%	0.775	S	S	*	*				-179.7	118.4	108.7	0	0	0	0	0	113.5
269	Q	31.8	Very low	30.3	Very low	197 Å²	197	145.9 Å²	145.9	92%	0.921	78%	0.775	S	S	*	*			trans	76.5	116.7	143.1	-65	175.5	-14.3	0	0	121.2
270	Q	26.8	Very low	30.8	Very low	197 Å²	197	145.1 Å²	145.1	92%	0.921	76%	0.759	S	S	*	*			trans	-78.4	128	178.7	-67.2	163.4	-33.9	0	0	111.4
271	Q	29.9	Very low	31.1	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	73%	0.73	S	S	*	*			trans	-120.5	115.5	146.5	-89.9	-177.9	-6.6	0	0	107	E273	Q271-E273 PolarHBondContact O-N 2.83Å
272	E	27.7	Very low	31.3	Very low	192 Å²	192	133.7 Å²	133.7	90%	0.897	72%	0.719	S	S	*	*			trans	-82.1	93.1	-178	-162	168.7	-161.1	0	0	108	T274	E272-T274 PolarHBondContact O-N 3.38Å
273	E	30.3	Very low	31.6	Very low	171 Å²	171	134.4 Å²	134.4	80%	0.799	71%	0.711	S	S	*	*			trans	-65.1	118.2	167	-87.4	-174.6	153.7	0	0	108.7	Q271 I275	Q271-E273 PolarHBondContact O-N 2.83Å; E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 3.35Å
274	T	29	Very low	31.6	Very low	139 Å²	139	133.2 Å²	133.2	85%	0.853	70%	0.698	S	S	*	*			trans	-63	81.9	175	26.7	0	0	0	0	111.2	E272 I276	E272-T274 PolarHBondContact O-N 3.38Å; T274-I276 PolarHBondContact O-N 3.22Å
275	I	32.9	Very low	31.8	Very low	147 Å²	147	140.1 Å²	140.1	75%	0.754	71%	0.711	S	S	*	*			trans	-69.9	113.1	169.2	-63.6	171.6	0	0	0	107.9	E273 P277	E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 3.35Å; I275-P277 VanDerWaalsContact O-CD 3.32Å; I275-P277 WeakPolarHBondContact O-CD 3.5Å
276	I	35	Very low	31.8	Very low	47 Å²	47	136.5 Å²	136.5	24%	0.241	71%	0.712	C	S	.	*			trans	-59	121	176.8	-59.5	173.6	0	0	0	108.8	T274 S278 K367	T274-I276 PolarHBondContact O-N 3.22Å; I276-S278 PolarHBondContact O-N 3.25Å; I276-K367 HydrophobicContact CD1-CD 4.31Å; I276-K367 HydrophobicContact CG2-CD 4.34Å
277	P	30.1	Very low	31.9	Very low	94 Å²	94	138.5 Å²	138.5	61%	0.61	71%	0.711	S	S	*	*			trans	-61.8	126.4	177.1	-19.3	30.2	0	0	0	109.9	I275 K279 S280	I275-P277 VanDerWaalsContact O-CD 3.32Å; I275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-K279 PolarHBondContact O-N 2.99Å; P277-S280 PolarHBondContact O-N 3.47Å; P277-S280 VanDerWaalsContact O-N 3.17Å; P277-S280 PolarHBondContact O-OG 2.91Å; P277-S280 VanDerWaalsContact O-OG 3.05Å
278	S	32	Very low	31.9	Very low	89 Å²	89	139.7 Å²	139.7	62%	0.622	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-49.9	-11.6	179.6	-177.1	0	0	0	0	115.5	I276 S280	I276-S278 PolarHBondContact O-N 3.25Å; S278-S280 VanDerWaalsContact C-N 3.35Å
279	K	35.9	Very low	32.2	Very low	211 Å²	211	140.1 Å²	140.1	92%	0.917	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-84.2	-3	-178.5	-68.8	-174.1	176.5	-179.8	0	114.5	P277	P277-K279 PolarHBondContact O-N 2.99Å
280	S	37.8	Very low	32.3	Very low	52 Å²	52	133.5 Å²	133.5	36%	0.364	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-107.9	14.9	-176	58.7	0	0	0	0	115	P277 S278 K367	P277-S280 PolarHBondContact O-N 3.47Å; P277-S280 VanDerWaalsContact O-N 3.17Å; P277-S280 PolarHBondContact O-OG 2.91Å; P277-S280 VanDerWaalsContact O-OG 3.05Å; S278-S280 VanDerWaalsContact C-N 3.35Å; S280-K367 VanDerWaalsContact CB-NZ 3.32Å; S280-K367 PolarHBondContact OG-NZ 3.49Å
281	V	35.8	Very low	32.7	Very low	44 Å²	44	129.9 Å²	129.9	27%	0.267	69%	0.688	S	S	.	*			trans	-111.7	107.4	177.2	-177.2	0	0	0	0	109	R283 V355	V281-R283 PolarHBondContact O-N 3.46Å; V281-V355 HydrophobicContact CG1-CG2 3.95Å
282	T	36.3	Very low	32.9	Very low	109 Å²	109	125 Å²	125	67%	0.669	69%	0.69	S	S	*	*			trans	-74.9	94.1	173.3	-41.8	0	0	0	0	108.4
283	R	32.9	Very low	32.9	Very low	182 Å²	182	121.2 Å²	121.2	69%	0.687	68%	0.684	S	S	*	*	B	Isolated β-bridge	trans	-62.9	132.3	168.9	-80.2	-177.1	175.1	-177.6	-3.1	109	V281 R285	V281-R283 PolarHBondContact O-N 3.46Å; R283-R285 PolarHBondContact O-N 3Å
284	L	34.1	Very low	32.8	Very low	90 Å²	90	124.1 Å²	124.1	47%	0.471	69%	0.689	S	S	.	*			trans	-62.7	99.8	174.3	-78.2	163.4	0	0	0	109.5	E298 G354	L284-E298 WeakPolarHBondContact CD2-OE1 3.49Å; L284-G354 PolarHBondContact N-O 2.83Å
285	R	30.2	Very low	33.1	Very low	230 Å²	230	124.3 Å²	124.3	87%	0.868	68%	0.678	S	S	*	*			trans	-81.6	120.7	153.3	-92.1	-176.7	171.7	165.7	-2	106.3	R283 Q287	R283-R285 PolarHBondContact O-N 3Å; R285-Q287 PolarHBondContact O-N 3.43Å
286	A	30.9	Very low	33.4	Very low	109 Å²	109	123.1 Å²	123.1	90%	0.901	68%	0.68	S	S	*	*			trans	-44.6	105.4	164.9	0	0	0	0	0	109.1
287	Q	31.9	Very low	33.8	Very low	136 Å²	136	125.4 Å²	125.4	64%	0.636	69%	0.692	S	S	*	*			trans	-102.2	100.1	-177	-148.2	-178.4	21.8	0	0	108	R285 V289	R285-Q287 PolarHBondContact O-N 3.43Å; Q287-V289 HydrophobicContact CB-CG2 4.23Å; Q287-V289 HydrophobicContact CG-CG2 3.84Å; Q287-V289 PolarHBondContact O-N 2.92Å; Q287-V289 VanDerWaalsContact O-N 3.11Å
288	K	29.3	Very low	35	Very low	211 Å²	211	124 Å²	124	92%	0.917	68%	0.677	S	S	*	*			trans	-64.5	103.2	162.5	-169.6	178.1	-173.3	176.3	0	107.3
289	V	36	Very low	36.7	Very low	102 Å²	102	125.6 Å²	125.6	62%	0.618	67%	0.67	S	S	*	*			trans	-110.1	108.9	171.4	-171.1	0	0	0	0	107.8	Q287	Q287-V289 HydrophobicContact CB-CG2 4.23Å; Q287-V289 HydrophobicContact CG-CG2 3.84Å; Q287-V289 PolarHBondContact O-N 2.92Å; Q287-V289 VanDerWaalsContact O-N 3.11Å
290	G	34.3	Very low	38.9	Very low	57 Å²	57	117.4 Å²	117.4	59%	0.588	63%	0.633	S	S	*	*			trans	-68.2	157.3	170.2	0	0	0	0	0	112
291	S	35.2	Very low	41.1	Very low	122 Å²	122	116 Å²	116	85%	0.853	62%	0.62	S	S	*	*	S	Bend	trans	56.9	96.3	175.1	74.5	0	0	0	0	117.7	S293	S291-S293 PolarHBondContact O-N 2.68Å
292	G	32.3	Very low	43.7	Very low	92 Å²	92	113.9 Å²	113.9	95%	0.948	61%	0.607	S	S	*	*	S	Bend	trans	81.9	12.2	130.3	0	0	0	0	0	119.6
293	S	28.5	Very low	46.3	Very low	111 Å²	111	111.1 Å²	111.1	78%	0.776	58%	0.584	S	S	*	*			trans	-133	119.1	170.4	-169.8	0	0	0	0	110.6	S291 K295	S291-S293 PolarHBondContact O-N 2.68Å; S293-K295 PolarHBondContact O-N 3.28Å
294	Y	28.8	Very low	49.1	Very low	232 Å²	232	102.5 Å²	102.5	91%	0.91	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-67	122.4	174.2	-73.2	-93.8	0	0	0	109.4
295	K	34.7	Very low	51.8	Low	144 Å²	144	101.5 Å²	101.5	63%	0.626	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-74.8	137.7	160.9	-92.7	-173.7	178.8	179.6	0	107.7	S293 L297	S293-K295 PolarHBondContact O-N 3.28Å; K295-L297 PolarHBondContact O-N 3.37Å
296	P	38.8	Very low	54.6	Low	122 Å²	122	90.6 Å²	90.6	79%	0.792	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-56.4	133.9	169.5	-13.7	26.8	0	0	0	108.6
297	L	43.9	Very low	57.3	Low	94 Å²	94	88.5 Å²	88.5	49%	0.492	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-58.9	153.2	169.4	-74.9	150	0	0	0	108.7	K295 V541 E543	K295-L297 PolarHBondContact O-N 3.37Å; L297-V541 HydrophobicContact CD1-CB 4.43Å; L297-E543 HydrophobicContact CB-CG 3.85Å
298	E	55.1	Low	59.5	Low	64 Å²	64	86.3 Å²	86.3	30%	0.299	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-86.6	127.6	-172.7	-68.7	-176.8	166.2	0	0	111.8	L284 R300 S356 E543	L284-E298 WeakPolarHBondContact CD2-OE1 3.49Å; E298-R300 PolarHBondContact O-N 2.98Å; E298-R300 VanDerWaalsContact O-N 3.08Å; E298-S356 VanDerWaalsContact CD-CB 3.47Å; E298-S356 WeakPolarHBondContact OE1-CB 3.49Å; E298-E543 PolarHBondContact N-OE1 2.88Å
299	R	68.6	Low	61.4	Low	124 Å²	124	77.1 Å²	77.1	47%	0.468	44%	0.436	S	S	.	.			trans	-77	90	-173.2	-65.3	171.3	171.8	173.5	-3.6	112.9	W301 A357 F381 E543	R299-W301 PolarHBondContact O-N 3.45Å; R299-A357 WeakPolarHBondContact O-CB 3.37Å; R299-F381 HydrophobicContact CB-CB 4.04Å; R299-F381 HydrophobicContact CB-CD1 3.23Å; R299-F381 HydrophobicContact CB-CE1 3.68Å; R299-F381 HydrophobicContact CB-CG 3.77Å; R299-F381 HydrophobicContact CG-CB 4.4Å; R299-F381 HydrophobicContact CG-CD1 4.1Å; R299-F381 HydrophobicContact CG-CE1 4.49Å; R299-F381 HydrophobicContact CG-CG 4.21Å; R299-F381 VanDerWaalsContact NH1-CD2 3.27Å; R299-F381 WeakPolarHBondContact O-CD1 3.45Å; R299-E543 VanDerWaalsContact CA-CD 3.46Å; R299-E543 WeakPolarHBondContact CA-OE1 3.35Å; R299-E543 VanDerWaalsContact CA-OE2 3.22Å; R299-E543 WeakPolarHBondContact CA-OE2 3.4Å; R299-E543 WeakPolarHBondContact CG-OE1 3.25Å; R299-E543 WeakPolarHBondContact CG-OE2 3.5Å; R299-E543 PolarHBondContact N-OE1 3.28Å
300	R	81.1	Confident	63.5	Low	38 Å²	38	76.7 Å²	76.7	14%	0.143	44%	0.436	C	S	.	.			trans	-75.4	-18.2	-169.3	-65.3	-171.4	177.3	-170.8	-1	117.4	E298 V349 S351 E771	E298-R300 PolarHBondContact O-N 2.98Å; E298-R300 VanDerWaalsContact O-N 3.08Å; R300-V349 PolarHBondContact O-N 3.49Å; R300-S351 VanDerWaalsContact NH1-CB 3.27Å; R300-S351 PolarHBondContact NH1-OG 3.22Å; R300-S351 PolarHBondContact NH2-OG 2.87Å; R300-E771 IonicContact CZ-OE2 3.11Å; R300-E771 IonicContact NH1-OE1 3.88Å; R300-E771 IonicContact NH1-OE2 3.2Å; R300-E771 PolarHBondContact NH1-OE2 3.12Å
301	W	84.6	Confident	66	Low	22 Å²	22	74 Å²	74	8%	0.083	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.2	174.3	-82.1	94.2	0	0	0	110.2	R299 F335 F337 H348 F381 G382 R383	R299-W301 PolarHBondContact O-N 3.45Å; W301-F335 AromaticContact CH2-CD1 3.47Å; W301-F335 HydrophobicContact CH2-CD1 3.47Å; W301-F335 VanDerWaalsContact CH2-CD1 3.47Å; W301-F335 AromaticContact CH2-CE1 3.33Å; W301-F335 HydrophobicContact CH2-CE1 3.33Å; W301-F335 HydrophobicContact CH2-CZ 4.41Å; W301-F335 AromaticContact CZ2-CD1 3.75Å; W301-F335 HydrophobicContact CZ2-CD1 3.75Å; W301-F335 AromaticContact CZ2-CE1 3.58Å; W301-F335 HydrophobicContact CZ2-CE1 3.58Å; W301-F337 HydrophobicContact CE3-CE1 4.38Å; W301-F337 HydrophobicContact CH2-CD1 4.37Å; W301-F337 AromaticContact CH2-CE1 3.99Å; W301-F337 HydrophobicContact CH2-CE1 3.99Å; W301-F337 HydrophobicContact CZ3-CD1 4.11Å; W301-F337 AromaticContact CZ3-CE1 3.56Å; W301-F337 HydrophobicContact CZ3-CE1 3.56Å; W301-H348 AromaticContact CD1-CD2 3.92Å; W301-H348 HydrophobicContact CD2-CB 4.3Å; W301-H348 AromaticContact CE2-CD2 3.67Å; W301-H348 HydrophobicContact CE3-CB 4.43Å; W301-H348 HydrophobicContact CH2-CB 3.78Å; W301-H348 HydrophobicContact CZ2-CB 3.55Å; W301-H348 HydrophobicContact CZ3-CB 4.22Å; W301-H348 AromaticContact NE1-CD2 3.44Å; W301-H348 PolarHBondContact NE1-CD2 3.28Å; W301-F381 CarbonylContact O-C 3.56Å; W301-F381 VanDerWaalsContact O-CA 3.29Å; W301-F381 WeakPolarHBondContact O-CA 3.08Å; W301-G382 PolarHBondContact O-N 3.1Å; W301-R383 HydrophobicContact CD2-CG 3.92Å; W301-R383 VanDerWaalsContact CE2-NE 3.31Å; W301-R383 HydrophobicContact CE3-CG 3.95Å; W301-R383 HydrophobicContact CG-CG 4.14Å; W301-R383 VanDerWaalsContact CH2-NH2 3.3Å
302	I	89.5	Confident	68.4	Low	0 Å²	0	69 Å²	69	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.5	175.8	-60	175.3	0	0	0	108.2	V304 Y346 F347 V349 A357 I360 V361 L364 V379 G380 F381	I302-V304 HydrophobicContact CG2-CG2 4.38Å; I302-Y346 CarbonylContact O-C 3.48Å; I302-Y346 WeakPolarHBondContact O-CA 3.19Å; I302-F347 HydrophobicContact CB-CD2 4.24Å; I302-F347 HydrophobicContact CB-CE1 4.05Å; I302-F347 HydrophobicContact CB-CE2 3.71Å; I302-F347 HydrophobicContact CB-CZ 3.61Å; I302-F347 HydrophobicContact CD1-CE2 3.82Å; I302-F347 HydrophobicContact CD1-CZ 4.07Å; I302-F347 HydrophobicContact CG1-CE2 4.24Å; I302-F347 HydrophobicContact CG1-CZ 4.43Å; I302-F347 HydrophobicContact CG2-CE1 3.78Å; I302-F347 HydrophobicContact CG2-CE2 4.1Å; I302-F347 HydrophobicContact CG2-CZ 3.46Å; I302-F347 VanDerWaalsContact CG2-CZ 3.46Å; I302-F347 PolarHBondContact N-O 3.26Å; I302-F347 PolarHBondContact O-N 3.11Å; I302-V349 HydrophobicContact CD1-CG2 3.59Å; I302-V349 HydrophobicContact CG1-CG2 4.18Å; I302-A357 HydrophobicContact CD1-CB 4.03Å; I302-A357 HydrophobicContact CG1-CB 4.34Å; I302-I360 HydrophobicContact CD1-CB 3.71Å; I302-I360 HydrophobicContact CD1-CG2 3.57Å; I302-V361 HydrophobicContact CB-CG2 4.43Å; I302-V361 HydrophobicContact CD1-CG2 3.69Å; I302-V361 HydrophobicContact CG1-CG2 3.75Å; I302-V361 HydrophobicContact CG2-CG2 3.88Å; I302-L364 HydrophobicContact CG2-CD1 4.35Å; I302-V379 HydrophobicContact CG2-CG1 3.87Å; I302-G380 WeakPolarHBondContact CA-O 2.89Å; I302-F381 HydrophobicContact CG1-CD1 4.43Å
303	W	90.7	Very high	70.7	Confident	52 Å²	52	67 Å²	67	20%	0.197	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.9	167.1	61.8	-92.4	0	0	0	110.3	K305 V344 L345 Y346 D378 V379 G380 F381	W303-K305 HydrophobicContact CE3-CB 4.27Å; W303-K305 HydrophobicContact CZ3-CB 3.95Å; W303-V344 HydrophobicContact CB-CG1 4.08Å; W303-V344 HydrophobicContact CE3-CG1 4.31Å; W303-L345 CarbonylContact C-O 3.52Å; W303-L345 VanDerWaalsContact CA-O 3.25Å; W303-L345 WeakPolarHBondContact CA-O 3.32Å; W303-Y346 HydrophobicContact CB-CD1 3.53Å; W303-Y346 HydrophobicContact CB-CE1 3.55Å; W303-Y346 HydrophobicContact CB-CG 4.27Å; W303-Y346 HydrophobicContact CG-CD1 4.48Å; W303-Y346 HydrophobicContact CG-CE1 4.16Å; W303-D378 HydrophobicContact CH2-CB 4Å; W303-D378 WeakPolarHBondContact CH2-OD2 2.99Å; W303-D378 HydrophobicContact CZ3-CB 3.88Å; W303-V379 WeakPolarHBondContact O-CA 3.34Å; W303-V379 WeakPolarHBondContact O-CG1 2.98Å; W303-G380 VanDerWaalsContact CD1-C 3.46Å; W303-G380 VanDerWaalsContact CE2-CA 3.46Å; W303-G380 PolarHBondContact N-O 2.93Å; W303-G380 VanDerWaalsContact NE1-C 3.27Å; W303-G380 PolarHBondContact O-N 3.4Å; W303-F381 PolarHBondContact NE1-O 3.11Å; W303-F381 VanDerWaalsContact NE1-O 3.11Å
304	V	91.8	Very high	73.1	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.7	175.4	177	0	0	0	0	107.7	I302 F306 V344 L345 F347 L364 I376 V379	I302-V304 HydrophobicContact CG2-CG2 4.38Å; V304-F306 HydrophobicContact CB-CE2 4.36Å; V304-F306 HydrophobicContact CB-CZ 4.15Å; V304-F306 HydrophobicContact CG1-CD1 4.22Å; V304-F306 HydrophobicContact CG1-CE1 3.66Å; V304-F306 HydrophobicContact CG1-CE2 3.98Å; V304-F306 HydrophobicContact CG1-CZ 3.51Å; V304-V344 WeakPolarHBondContact O-CA 3.17Å; V304-L345 PolarHBondContact N-O 2.93Å; V304-L345 PolarHBondContact O-N 3.38Å; V304-F347 HydrophobicContact CG2-CE1 3.73Å; V304-F347 HydrophobicContact CG2-CZ 4.41Å; V304-L364 HydrophobicContact CG2-CD1 3.85Å; V304-I376 HydrophobicContact CG1-CD1 4.17Å; V304-I376 HydrophobicContact CG1-CG1 4.11Å; V304-I376 HydrophobicContact CG1-CG2 4.02Å; V304-V379 HydrophobicContact CG1-CG2 4.26Å; V304-V379 HydrophobicContact CG2-CG1 3.99Å; V304-V379 HydrophobicContact CG2-CG2 4.04Å
305	K	91	Very high	75.8	Confident	69 Å²	69	55.9 Å²	55.9	30%	0.3	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.7	173.4	-174.3	-179	-174.2	-155.3	0	108.8	W303 R343 V344 E377 D378	W303-K305 HydrophobicContact CE3-CB 4.27Å; W303-K305 HydrophobicContact CZ3-CB 3.95Å; K305-R343 WeakPolarHBondContact CA-O 3.34Å; K305-V344 HydrophobicContact CB-CG2 4.31Å; K305-V344 HydrophobicContact CG-CG2 4.09Å; K305-E377 HydrophobicContact CB-CB 4.42Å; K305-E377 HydrophobicContact CD-CB 4.41Å; K305-E377 HydrophobicContact CD-CG 4.4Å; K305-E377 VanDerWaalsContact CD-OE2 3.3Å; K305-E377 WeakPolarHBondContact CD-OE2 3.39Å; K305-E377 VanDerWaalsContact CE-CD 3.5Å; K305-E377 WeakPolarHBondContact CE-OE2 3.46Å; K305-E377 HydrophobicContact CG-CB 4.2Å; K305-E377 IonicContact NZ-OE1 2.81Å; K305-E377 PolarHBondContact NZ-OE1 2.03Å; K305-E377 IonicContact NZ-OE2 2.7Å; K305-E377 PolarHBondContact NZ-OE2 3.17Å; K305-E377 VanDerWaalsContact NZ-OE2 3.11Å; K305-E377 WeakPolarHBondContact O-CB 3.1Å; K305-E377 PolarHBondContact O-N 3.15Å; K305-D378 HydrophobicContact CB-CB 4.4Å; K305-D378 PolarHBondContact N-O 3.26Å; K305-D378 PolarHBondContact O-N 2.99Å
306	F	90.3	Very high	78.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.9	178.6	-59.1	-79.9	0	0	0	111	V304 N308 I311 I319 R343 L345 S375 I376	V304-F306 HydrophobicContact CB-CE2 4.36Å; V304-F306 HydrophobicContact CB-CZ 4.15Å; V304-F306 HydrophobicContact CG1-CD1 4.22Å; V304-F306 HydrophobicContact CG1-CE1 3.66Å; V304-F306 HydrophobicContact CG1-CE2 3.98Å; V304-F306 HydrophobicContact CG1-CZ 3.51Å; F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 WeakPolarHBondContact CB-O 3.45Å; F306-N308 PolarHBondContact O-N 3Å; F306-I311 HydrophobicContact CD2-CD1 3.68Å; F306-I311 HydrophobicContact CD2-CG1 4.42Å; F306-I311 HydrophobicContact CE2-CD1 3.41Å; F306-I311 VanDerWaalsContact CE2-CD1 3.41Å; F306-I311 HydrophobicContact CZ-CD1 4.3Å; F306-I319 HydrophobicContact CE1-CD1 4.21Å; F306-I319 HydrophobicContact CE2-CD1 4.44Å; F306-I319 HydrophobicContact CZ-CD1 3.88Å; F306-I319 HydrophobicContact CZ-CG2 4.13Å; F306-R343 PolarHBondContact N-O 3.3Å; F306-L345 HydrophobicContact CE2-CB 3.73Å; F306-L345 HydrophobicContact CE2-CD2 4.29Å; F306-L345 HydrophobicContact CZ-CB 4.45Å; F306-L345 HydrophobicContact CZ-CD2 4.31Å; F306-S375 WeakPolarHBondContact CA-O 3.16Å; F306-I376 HydrophobicContact CE1-CG1 4.37Å
307	V	86.4	Confident	80.6	Confident	65 Å²	65	47.4 Å²	47.4	39%	0.394	24%	0.236	S	C	.	.	S	Bend	trans	-60.5	-43.6	174.1	-179.5	0	0	0	0	109.7	R343 S375 E377	V307-R343 PolarHBondContact O-NH1 2.83Å; V307-S375 PolarHBondContact N-O 3.43Å; V307-E377 HydrophobicContact CG2-CB 3.68Å; V307-E377 HydrophobicContact CG2-CG 4.24Å
308	N	79.2	Confident	82.6	Confident	90 Å²	90	47.3 Å²	47.3	48%	0.481	24%	0.236	S	C	.	.	S	Bend	trans	-105	121.4	179.4	-60.5	-29.4	0	0	0	109.1	F306 Y374	F306-N308 VanDerWaalsContact C-N 3.26Å; F306-N308 WeakPolarHBondContact CB-O 3.45Å; F306-N308 PolarHBondContact O-N 3Å; N308-Y374 WeakPolarHBondContact O-CD1 3.32Å
309	G	67.9	Low	84.3	Confident	18 Å²	18	44.3 Å²	44.3	19%	0.186	22%	0.222	C	C	.	.			trans	-160.4	169.9	170.7	0	0	0	0	0	108.8	R343	G309-R343 PolarHBondContact O-NH2 3.4Å
310	P	81.7	Confident	85.3	Confident	93 Å²	93	38.5 Å²	38.5	60%	0.604	20%	0.199	S	C	*	.	P	Polyproline II helix	cis	-82.2	141.2	24.6	30.9	-35.8	0	0	0	114.4	R342	P310-R342 CarbonylContact C-O 3.48Å; P310-R342 WeakPolarHBondContact CA-O 3.06Å; P310-R342 HydrophobicContact CB-CB 3.71Å
311	I	85.6	Confident	85.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-93	152.2	166	57.5	168.6	0	0	0	111	F306 E315 A316 I319 L338 R342 L345 Y374	F306-I311 HydrophobicContact CD2-CD1 3.68Å; F306-I311 HydrophobicContact CD2-CG1 4.42Å; F306-I311 HydrophobicContact CE2-CD1 3.41Å; F306-I311 VanDerWaalsContact CE2-CD1 3.41Å; F306-I311 HydrophobicContact CZ-CD1 4.3Å; I311-E315 HydrophobicContact CB-CB 4.44Å; I311-A316 HydrophobicContact CD1-CB 4.28Å; I311-I319 HydrophobicContact CD1-CD1 4.21Å; I311-L338 HydrophobicContact CD1-CD2 3.46Å; I311-L338 VanDerWaalsContact CD1-CD2 3.46Å; I311-L338 HydrophobicContact CG1-CD1 4.17Å; I311-L338 HydrophobicContact CG1-CD2 3.57Å; I311-L338 VanDerWaalsContact O-CD1 3.31Å; I311-L338 WeakPolarHBondContact O-CD1 3.39Å; I311-R342 WeakPolarHBondContact CG1-O 3.21Å; I311-R342 PolarHBondContact N-O 2.88Å; I311-R342 WeakPolarHBondContact O-CB 3.44Å; I311-R342 WeakPolarHBondContact O-CD 3.28Å; I311-L345 HydrophobicContact CD1-CB 4.2Å; I311-Y374 HydrophobicContact CG2-CD1 3.61Å; I311-Y374 HydrophobicContact CG2-CD2 4.39Å; I311-Y374 HydrophobicContact CG2-CE1 3.39Å; I311-Y374 HydrophobicContact CG2-CE2 4.19Å; I311-Y374 HydrophobicContact CG2-CG 4.12Å
312	T	85.7	Confident	85.6	Confident	17 Å²	17	43.3 Å²	43.3	10%	0.104	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-95.3	166.3	-180	68.2	0	0	0	0	111.1	Y59 Q314 E315 A316	Y59-T312 VanDerWaalsContact CD1-CB 3.4Å; Y59-T312 HydrophobicContact CD1-CG2 3.93Å; Y59-T312 HydrophobicContact CD2-CG2 3.42Å; Y59-T312 VanDerWaalsContact CD2-CG2 3.42Å; Y59-T312 HydrophobicContact CE1-CG2 3.76Å; Y59-T312 VanDerWaalsContact CE1-OG1 3.27Å; Y59-T312 WeakPolarHBondContact CE1-OG1 3.32Å; Y59-T312 HydrophobicContact CE2-CG2 3.28Å; Y59-T312 HydrophobicContact CG-CG2 3.73Å; Y59-T312 VanDerWaalsContact CZ-CG2 3.45Å; T312-Q314 VanDerWaalsContact C-N 3.26Å; T312-Q314 PolarHBondContact O-N 2.88Å; T312-E315 VanDerWaalsContact CB-OE2 3.24Å; T312-E315 WeakPolarHBondContact CB-OE2 3.41Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.28Å; T312-E315 PolarHBondContact N-OE2 3.34Å; T312-E315 PolarHBondContact O-N 3.29Å; T312-E315 VanDerWaalsContact OG1-CD 3.24Å; T312-E315 VanDerWaalsContact OG1-CG 3.26Å; T312-E315 WeakPolarHBondContact OG1-CG 3.44Å; T312-E315 PolarHBondContact OG1-N 3.16Å; T312-E315 PolarHBondContact OG1-OE2 3.12Å; T312-A316 WeakPolarHBondContact O-CB 3.34Å; T312-A316 PolarHBondContact O-N 2.55Å
313	N	80.5	Confident	85.6	Confident	52 Å²	52	43.3 Å²	43.3	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-31.2	176.8	-74.9	-21.4	0	0	0	112.6	S60 Q317 F336	S60-N313 WeakPolarHBondContact CB-ND2 3.44Å; N313-Q317 WeakPolarHBondContact O-CB 3.43Å; N313-Q317 PolarHBondContact O-N 2.86Å; N313-F336 WeakPolarHBondContact O-CZ 3.22Å
314	Q	78.4	Confident	85.5	Confident	57 Å²	57	41.1 Å²	41.1	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-45.4	175.4	-70.9	166.3	4.9	0	0	110.9	Y59 Y63 T312 A316 Q317 L318	Y59-Q314 HydrophobicContact CD1-CG 4.41Å; Y59-Q314 HydrophobicContact CE1-CB 3.89Å; Y59-Q314 HydrophobicContact CE1-CG 3.71Å; Y59-Q314 PolarHBondContact OH-OE1 3.19Å; Y63-Q314 HydrophobicContact CD1-CG 4.45Å; Y63-Q314 HydrophobicContact CD2-CG 3.92Å; Y63-Q314 HydrophobicContact CE2-CG 4.06Å; Y63-Q314 HydrophobicContact CG-CG 4.04Å; Y63-Q314 VanDerWaalsContact CG-NE2 3.27Å; T312-Q314 VanDerWaalsContact C-N 3.26Å; T312-Q314 PolarHBondContact O-N 2.88Å; Q314-A316 VanDerWaalsContact C-N 3.33Å; Q314-A316 PolarHBondContact O-N 3.24Å; Q314-Q317 WeakPolarHBondContact O-CB 3.25Å; Q314-Q317 PolarHBondContact O-N 3.01Å; Q314-Q317 VanDerWaalsContact O-N 3.16Å; Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 3.5Å
315	E	87.3	Confident	85.2	Confident	51 Å²	51	47.9 Å²	47.9	24%	0.238	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-42.2	177.6	-69.6	162.8	141.8	0	0	110.9	I311 T312 Q317 L318 I319 Y374	I311-E315 HydrophobicContact CB-CB 4.44Å; T312-E315 VanDerWaalsContact CB-OE2 3.24Å; T312-E315 WeakPolarHBondContact CB-OE2 3.41Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.28Å; T312-E315 PolarHBondContact N-OE2 3.34Å; T312-E315 PolarHBondContact O-N 3.29Å; T312-E315 VanDerWaalsContact OG1-CD 3.24Å; T312-E315 VanDerWaalsContact OG1-CG 3.26Å; T312-E315 WeakPolarHBondContact OG1-CG 3.44Å; T312-E315 PolarHBondContact OG1-N 3.16Å; T312-E315 PolarHBondContact OG1-OE2 3.12Å; E315-Q317 VanDerWaalsContact C-N 3.31Å; E315-Q317 PolarHBondContact O-N 3.16Å; E315-L318 PolarHBondContact O-N 3.08Å; E315-I319 WeakPolarHBondContact O-CB 3.06Å; E315-I319 WeakPolarHBondContact O-CD1 3.26Å; E315-I319 WeakPolarHBondContact O-CG1 3.19Å; E315-I319 PolarHBondContact O-N 2.89Å; E315-Y374 HydrophobicContact CB-CE2 4.44Å; E315-Y374 PolarHBondContact OE1-OH 2.89Å
316	A	87.7	Confident	84.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-43.2	172.1	0	0	0	0	0	112.1	I311 T312 Q314 I319 L320 F336 L338 L345	I311-A316 HydrophobicContact CD1-CB 4.28Å; T312-A316 WeakPolarHBondContact O-CB 3.34Å; T312-A316 PolarHBondContact O-N 2.55Å; Q314-A316 VanDerWaalsContact C-N 3.33Å; Q314-A316 PolarHBondContact O-N 3.24Å; A316-I319 PolarHBondContact O-N 3.22Å; A316-L320 VanDerWaalsContact O-CG 3.24Å; A316-L320 WeakPolarHBondContact O-CG 3.22Å; A316-L320 PolarHBondContact O-N 3.26Å; A316-F336 HydrophobicContact CB-CD2 3.79Å; A316-F336 HydrophobicContact CB-CE2 3.37Å; A316-F336 HydrophobicContact CB-CZ 4.03Å; A316-L338 HydrophobicContact CB-CD1 4.43Å; A316-L338 HydrophobicContact CB-CD2 4.32Å; A316-L345 HydrophobicContact CB-CD1 3.77Å; A316-L345 HydrophobicContact CB-CD2 4.29Å
317	Q	85.2	Confident	84.7	Confident	89 Å²	89	47.7 Å²	47.7	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-41.5	176	-172.1	174.4	3.5	0	0	112.2	N313 Q314 E315 L320 L321 F336	N313-Q317 WeakPolarHBondContact O-CB 3.43Å; N313-Q317 PolarHBondContact O-N 2.86Å; Q314-Q317 WeakPolarHBondContact O-CB 3.25Å; Q314-Q317 PolarHBondContact O-N 3.01Å; Q314-Q317 VanDerWaalsContact O-N 3.16Å; E315-Q317 VanDerWaalsContact C-N 3.31Å; E315-Q317 PolarHBondContact O-N 3.16Å; Q317-L320 PolarHBondContact O-N 2.91Å; Q317-L321 HydrophobicContact CG-CD1 4.39Å; Q317-L321 WeakPolarHBondContact O-CB 3.36Å; Q317-L321 WeakPolarHBondContact O-CG 3.18Å; Q317-L321 PolarHBondContact O-N 3.39Å; Q317-F336 HydrophobicContact CB-CE1 3.97Å; Q317-F336 HydrophobicContact CB-CZ 3.96Å; Q317-F336 HydrophobicContact CG-CE1 4.39Å
318	L	87.3	Confident	84.6	Confident	92 Å²	92	50.5 Å²	50.5	48%	0.482	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-43.2	176.1	-71.2	171.5	0	0	0	111.8	Q314 E315 L320 L321 K322	Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 3.5Å; E315-L318 PolarHBondContact O-N 3.08Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.18Å; L318-K322 WeakPolarHBondContact O-CB 3.33Å; L318-K322 PolarHBondContact O-N 2.92Å
319	I	89.6	Confident	84.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-46.5	173.5	-72.6	164.8	0	0	0	110.1	F306 I311 E315 A316 K322 I323 L345 I371 Y374	F306-I319 HydrophobicContact CE1-CD1 4.21Å; F306-I319 HydrophobicContact CE2-CD1 4.44Å; F306-I319 HydrophobicContact CZ-CD1 3.88Å; F306-I319 HydrophobicContact CZ-CG2 4.13Å; I311-I319 HydrophobicContact CD1-CD1 4.21Å; E315-I319 WeakPolarHBondContact O-CB 3.06Å; E315-I319 WeakPolarHBondContact O-CD1 3.26Å; E315-I319 WeakPolarHBondContact O-CG1 3.19Å; E315-I319 PolarHBondContact O-N 2.89Å; A316-I319 PolarHBondContact O-N 3.22Å; I319-K322 WeakPolarHBondContact O-CB 3.15Å; I319-K322 PolarHBondContact O-N 3.14Å; I319-I323 HydrophobicContact CG2-CD1 3.86Å; I319-I323 VanDerWaalsContact O-CG1 3.27Å; I319-I323 WeakPolarHBondContact O-CG1 3.22Å; I319-I323 PolarHBondContact O-N 2.82Å; I319-L345 HydrophobicContact CG2-CD2 4.05Å; I319-I371 HydrophobicContact CB-CG2 4.39Å; I319-I371 HydrophobicContact CG1-CG2 4.31Å; I319-I371 HydrophobicContact CG2-CD1 4.49Å; I319-I371 HydrophobicContact CG2-CG2 4.01Å; I319-Y374 HydrophobicContact CD1-CD2 3.97Å; I319-Y374 HydrophobicContact CD1-CG 4.46Å
320	L	90.1	Very high	85.2	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-35.9	-179.3	-67.6	168.2	0	0	0	113.4	A316 Q317 L318 K322 I323 S324 I333 F336 L345 F347	A316-L320 VanDerWaalsContact O-CG 3.24Å; A316-L320 WeakPolarHBondContact O-CG 3.22Å; A316-L320 PolarHBondContact O-N 3.26Å; Q317-L320 PolarHBondContact O-N 2.91Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 3.42Å; L320-K322 VanDerWaalsContact C-N 3.32Å; L320-I323 HydrophobicContact CD2-CD1 4.29Å; L320-I323 PolarHBondContact O-N 3.42Å; L320-S324 VanDerWaalsContact O-CB 3.29Å; L320-S324 WeakPolarHBondContact O-CB 3.44Å; L320-S324 PolarHBondContact O-N 2.84Å; L320-S324 PolarHBondContact O-OG 3.29Å; L320-I333 HydrophobicContact CB-CB 4.44Å; L320-I333 HydrophobicContact CB-CG2 4.48Å; L320-I333 HydrophobicContact CD1-CG2 4.29Å; L320-I333 HydrophobicContact CD2-CB 4.41Å; L320-I333 HydrophobicContact CD2-CG2 3.9Å; L320-I333 HydrophobicContact CG-CG2 4.45Å; L320-F336 HydrophobicContact CD1-CB 3.34Å; L320-F336 HydrophobicContact CD1-CD1 3.26Å; L320-F336 HydrophobicContact CD1-CD2 4.2Å; L320-F336 HydrophobicContact CD1-CE1 4.08Å; L320-F336 HydrophobicContact CD1-CG 3.33Å; L320-L345 HydrophobicContact CD1-CD1 4.43Å; L320-L345 HydrophobicContact CD1-CD2 4.4Å; L320-L345 HydrophobicContact CD2-CD2 4.13Å; L320-L345 HydrophobicContact CG-CD2 4.1Å; L320-F347 HydrophobicContact CD1-CB 4.16Å; L320-F347 HydrophobicContact CD2-CB 3.65Å; L320-F347 HydrophobicContact CD2-CD1 3.49Å; L320-F347 VanDerWaalsContact CD2-CD1 3.49Å; L320-F347 HydrophobicContact CD2-CD2 3.92Å; L320-F347 HydrophobicContact CD2-CE1 4Å; L320-F347 HydrophobicContact CD2-CE2 4.39Å; L320-F347 HydrophobicContact CD2-CG 3.42Å; L320-F347 VanDerWaalsContact CD2-CG 3.42Å; L320-F347 HydrophobicContact CD2-CZ 4.42Å
321	L	85.1	Confident	84.7	Confident	85 Å²	85	47.8 Å²	47.8	45%	0.445	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-41.9	171.2	-77	173.1	0	0	0	110.9	Q317 L318 S324 H325	Q317-L321 HydrophobicContact CG-CD1 4.39Å; Q317-L321 WeakPolarHBondContact O-CB 3.36Å; Q317-L321 WeakPolarHBondContact O-CG 3.18Å; Q317-L321 PolarHBondContact O-N 3.39Å; L318-L321 PolarHBondContact O-N 3.18Å; L321-S324 PolarHBondContact O-N 3.37Å; L321-H325 WeakPolarHBondContact O-CB 3.1Å; L321-H325 PolarHBondContact O-N 3.14Å
322	K	87.7	Confident	84.2	Confident	76 Å²	76	50.2 Å²	50.2	33%	0.33	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-47.1	176.2	-173.1	160.1	-176.4	153	0	112	L318 I319 L320 S324 H325 D326 I371 D372	L318-K322 WeakPolarHBondContact O-CB 3.33Å; L318-K322 PolarHBondContact O-N 2.92Å; I319-K322 WeakPolarHBondContact O-CB 3.15Å; I319-K322 PolarHBondContact O-N 3.14Å; L320-K322 VanDerWaalsContact C-N 3.32Å; K322-S324 VanDerWaalsContact C-N 3.27Å; K322-S324 PolarHBondContact O-N 3.15Å; K322-H325 PolarHBondContact O-N 3.37Å; K322-D326 WeakPolarHBondContact CG-OD2 3.39Å; K322-D326 VanDerWaalsContact O-CB 3.31Å; K322-D326 WeakPolarHBondContact O-CB 3.29Å; K322-D326 PolarHBondContact O-N 3.21Å; K322-I371 HydrophobicContact CB-CG2 4.34Å; K322-I371 HydrophobicContact CD-CG2 3.98Å; K322-I371 HydrophobicContact CG-CG2 4.18Å; K322-D372 HydrophobicContact CD-CB 4.16Å; K322-D372 IonicContact NZ-OD1 2.79Å; K322-D372 PolarHBondContact NZ-OD1 3.44Å
323	I	89.2	Confident	84	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-45.9	172.1	-69.3	166.9	0	0	0	110.3	I319 L320 H325 L327 I333 F347 I360 L364 I371	I319-I323 HydrophobicContact CG2-CD1 3.86Å; I319-I323 VanDerWaalsContact O-CG1 3.27Å; I319-I323 WeakPolarHBondContact O-CG1 3.22Å; I319-I323 PolarHBondContact O-N 2.82Å; L320-I323 HydrophobicContact CD2-CD1 4.29Å; L320-I323 PolarHBondContact O-N 3.42Å; I323-H325 PolarHBondContact O-N 3.01Å; I323-L327 HydrophobicContact CG2-CD1 3.77Å; I323-L327 HydrophobicContact CG2-CG 4.39Å; I323-L327 VanDerWaalsContact O-CB 3.26Å; I323-L327 WeakPolarHBondContact O-CB 3.22Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.19Å; I323-L327 PolarHBondContact O-N 2.89Å; I323-I333 HydrophobicContact CG2-CD1 4.07Å; I323-F347 HydrophobicContact CD1-CZ 4.5Å; I323-I360 HydrophobicContact CG2-CG2 4.3Å; I323-L364 HydrophobicContact CD1-CD2 4.04Å; I323-L364 HydrophobicContact CG1-CD2 4.17Å; I323-I371 HydrophobicContact CD1-CD1 3.82Å; I323-I371 HydrophobicContact CG1-CD1 3.75Å
324	S	87.4	Confident	83.7	Confident	7 Å²	7	52 Å²	52	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-41.7	-179.3	-58.6	0	0	0	0	112.3	L320 L321 K322 K328 L329 I333	L320-S324 VanDerWaalsContact O-CB 3.29Å; L320-S324 WeakPolarHBondContact O-CB 3.44Å; L320-S324 PolarHBondContact O-N 2.84Å; L320-S324 PolarHBondContact O-OG 3.29Å; L321-S324 PolarHBondContact O-N 3.37Å; K322-S324 VanDerWaalsContact C-N 3.27Å; K322-S324 PolarHBondContact O-N 3.15Å; S324-K328 PolarHBondContact O-N 2.85Å; S324-K328 VanDerWaalsContact O-N 3.14Å; S324-L329 PolarHBondContact O-N 3.26Å; S324-I333 PolarHBondContact OG-N 2.94Å
325	H	86.6	Confident	83.6	Confident	143 Å²	143	51.2 Å²	51.2	66%	0.662	27%	0.269	S	S	*	.	H	α-helix	trans	-68	-52.5	177.4	174	-90.5	0	0	0	112	L321 K322 I323 L327 K328	L321-H325 WeakPolarHBondContact O-CB 3.1Å; L321-H325 PolarHBondContact O-N 3.14Å; K322-H325 PolarHBondContact O-N 3.37Å; I323-H325 PolarHBondContact O-N 3.01Å; H325-L327 VanDerWaalsContact C-N 3.3Å; H325-L327 PolarHBondContact O-N 3.48Å; H325-K328 PolarHBondContact O-N 3.42Å
326	D	84.9	Confident	83.5	Confident	54 Å²	54	50.7 Å²	50.7	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-67.2	-33.3	-173.8	-67.1	-7	0	0	0	111.6	K322 K328 M368	K322-D326 WeakPolarHBondContact CG-OD2 3.39Å; K322-D326 VanDerWaalsContact O-CB 3.31Å; K322-D326 WeakPolarHBondContact O-CB 3.29Å; K322-D326 PolarHBondContact O-N 3.21Å; D326-K328 VanDerWaalsContact C-N 3.35Å; D326-M368 HydrophobicContact CB-CE 3.38Å; D326-M368 WeakPolarHBondContact OD2-CE 3.35Å
327	L	86.1	Confident	83.3	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.058	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	174	-56.5	-176.4	0	0	0	113.7	I323 H325 L329 I360 A363	I323-L327 HydrophobicContact CG2-CD1 3.77Å; I323-L327 HydrophobicContact CG2-CG 4.39Å; I323-L327 VanDerWaalsContact O-CB 3.26Å; I323-L327 WeakPolarHBondContact O-CB 3.22Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.19Å; I323-L327 PolarHBondContact O-N 2.89Å; H325-L327 VanDerWaalsContact C-N 3.3Å; H325-L327 PolarHBondContact O-N 3.48Å; L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 HydrophobicContact CB-CD2 3.96Å; L327-L329 HydrophobicContact CB-CG 4.25Å; L327-L329 PolarHBondContact O-N 3.49Å; L327-I360 HydrophobicContact CD1-CB 4.07Å; L327-I360 HydrophobicContact CD1-CG1 3.79Å; L327-I360 HydrophobicContact CD1-CG2 3.83Å; L327-A363 HydrophobicContact CD1-CB 4.24Å; L327-A363 HydrophobicContact CD2-CB 3.49Å; L327-A363 VanDerWaalsContact CD2-CB 3.49Å
328	K	83.6	Confident	83.3	Confident	124 Å²	124	49 Å²	49	54%	0.539	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	46.6	179.4	-57.5	-178.7	-179.4	-178.4	0	112.8	S324 H325 D326	S324-K328 PolarHBondContact O-N 2.85Å; S324-K328 VanDerWaalsContact O-N 3.14Å; H325-K328 PolarHBondContact O-N 3.42Å; D326-K328 VanDerWaalsContact C-N 3.35Å
329	L	83.3	Confident	83	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.099	24%	0.243	C	C	.	.			trans	-64.1	138.7	176.8	-55.2	-173.7	0	0	0	109.7	S324 L327 S331 I333 A353 V355 I360	S324-L329 PolarHBondContact O-N 3.26Å; L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 HydrophobicContact CB-CD2 3.96Å; L327-L329 HydrophobicContact CB-CG 4.25Å; L327-L329 PolarHBondContact O-N 3.49Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 WeakPolarHBondContact CB-O 2.81Å; L329-I333 HydrophobicContact CD1-CD1 3.64Å; L329-I333 HydrophobicContact CD1-CG1 3.73Å; L329-A353 CarbonylContact C-O 3.51Å; L329-A353 WeakPolarHBondContact CA-O 3.46Å; L329-A353 HydrophobicContact CB-CB 4.36Å; L329-A353 HydrophobicContact CD1-CB 4.36Å; L329-A353 HydrophobicContact CD2-CB 4.38Å; L329-V355 HydrophobicContact CD2-CB 3.63Å; L329-V355 HydrophobicContact CD2-CG1 4.31Å; L329-V355 HydrophobicContact CD2-CG2 3.65Å; L329-I360 HydrophobicContact CD1-CD1 4.18Å; L329-I360 HydrophobicContact CD2-CD1 4.12Å; L329-I360 HydrophobicContact CD2-CG1 4.46Å
330	T	76.5	Confident	82.5	Confident	95 Å²	95	55.7 Å²	55.7	58%	0.583	29%	0.285	S	S	*	.	S	Bend	trans	-70.5	-29.6	179.2	39.1	0	0	0	0	112.6	S352 A353 G354	T330-S352 WeakPolarHBondContact CB-O 3.47Å; T330-S352 PolarHBondContact OG1-O 3.44Å; T330-A353 PolarHBondContact N-O 2.93Å; T330-A353 PolarHBondContact OG1-O 2.85Å; T330-A353 VanDerWaalsContact OG1-O 3.08Å; T330-G354 WeakPolarHBondContact OG1-CA 3.29Å; T330-G354 PolarHBondContact OG1-N 2.76Å; T330-G354 VanDerWaalsContact OG1-N 3.16Å
331	S	70.1	Confident	82.1	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	31%	0.305	C	S	.	.	S	Bend	trans	-127.6	129.6	168.7	-63.9	0	0	0	0	108.7	L329 S352	L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 WeakPolarHBondContact CB-O 2.81Å; S331-S352 WeakPolarHBondContact CB-O 3.48Å; S331-S352 PolarHBondContact N-O 2.95Å; S331-S352 WeakPolarHBondContact OG-CB 3.19Å; S331-S352 PolarHBondContact OG-O 3.08Å; S331-S352 PolarHBondContact OG-OG 3.35Å
332	P	77	Confident	82.2	Confident	50 Å²	50	58.9 Å²	58.9	33%	0.325	30%	0.3	S	S	.	.			trans	-68.6	150.2	-177.5	27.8	-33.4	0	0	0	111.5	S334	P332-S334 PolarHBondContact O-N 3.43Å; P332-S334 VanDerWaalsContact O-N 3.16Å
333	I	80.6	Confident	82.2	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	30%	0.304	C	S	.	.			trans	-71.1	111.8	174.3	-61.9	158	0	0	0	108.4	L320 I323 S324 L329 F347	L320-I333 HydrophobicContact CB-CB 4.44Å; L320-I333 HydrophobicContact CB-CG2 4.48Å; L320-I333 HydrophobicContact CD1-CG2 4.29Å; L320-I333 HydrophobicContact CD2-CB 4.41Å; L320-I333 HydrophobicContact CD2-CG2 3.9Å; L320-I333 HydrophobicContact CG-CG2 4.45Å; I323-I333 HydrophobicContact CG2-CD1 4.07Å; S324-I333 PolarHBondContact OG-N 2.94Å; L329-I333 HydrophobicContact CD1-CD1 3.64Å; L329-I333 HydrophobicContact CD1-CG1 3.73Å; I333-F347 HydrophobicContact CD1-CD2 3.8Å; I333-F347 HydrophobicContact CD1-CE2 3.7Å; I333-F347 HydrophobicContact CG1-CD2 4.45Å; I333-F347 HydrophobicContact CG2-CB 3.86Å; I333-F347 HydrophobicContact CG2-CD2 3.84Å; I333-F347 HydrophobicContact CG2-CG 4.19Å
334	S	73.8	Confident	82.2	Confident	102 Å²	102	60.8 Å²	60.8	71%	0.713	31%	0.306	S	S	*	.			trans	-105.5	-21.1	-178.8	58.7	0	0	0	0	113.3	P332	P332-S334 PolarHBondContact O-N 3.43Å; P332-S334 VanDerWaalsContact O-N 3.16Å
335	F	76.1	Confident	82.4	Confident	39 Å²	39	60.4 Å²	60.4	17%	0.171	30%	0.304	C	S	.	.			trans	-105	118.8	-172.6	-169.2	-125.2	0	0	0	112.8	W301 F347 H348 T591	W301-F335 AromaticContact CH2-CD1 3.47Å; W301-F335 HydrophobicContact CH2-CD1 3.47Å; W301-F335 VanDerWaalsContact CH2-CD1 3.47Å; W301-F335 AromaticContact CH2-CE1 3.33Å; W301-F335 HydrophobicContact CH2-CE1 3.33Å; W301-F335 HydrophobicContact CH2-CZ 4.41Å; W301-F335 AromaticContact CZ2-CD1 3.75Å; W301-F335 HydrophobicContact CZ2-CD1 3.75Å; W301-F335 AromaticContact CZ2-CE1 3.58Å; W301-F335 HydrophobicContact CZ2-CE1 3.58Å; F335-F347 VanDerWaalsContact O-CA 3.28Å; F335-F347 WeakPolarHBondContact O-CA 3.14Å; F335-F347 WeakPolarHBondContact O-CB 3.44Å; F335-H348 HydrophobicContact CB-CB 4.33Å; F335-H348 HydrophobicContact CD1-CB 3.86Å; F335-H348 PolarHBondContact O-N 3.04Å; F335-T591 HydrophobicContact CE2-CG2 4.47Å; F335-T591 VanDerWaalsContact CE2-O 3.23Å; F335-T591 WeakPolarHBondContact CE2-O 3.2Å
336	F	86.7	Confident	82.5	Confident	41 Å²	41	54.2 Å²	54.2	18%	0.18	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.3	-179.4	71.9	-87.7	0	0	0	113.7	N313 A316 Q317 L320 L345 Y346 F347	N313-F336 WeakPolarHBondContact O-CZ 3.22Å; A316-F336 HydrophobicContact CB-CD2 3.79Å; A316-F336 HydrophobicContact CB-CE2 3.37Å; A316-F336 HydrophobicContact CB-CZ 4.03Å; Q317-F336 HydrophobicContact CB-CE1 3.97Å; Q317-F336 HydrophobicContact CB-CZ 3.96Å; Q317-F336 HydrophobicContact CG-CE1 4.39Å; L320-F336 HydrophobicContact CD1-CB 3.34Å; L320-F336 HydrophobicContact CD1-CD1 3.26Å; L320-F336 HydrophobicContact CD1-CD2 4.2Å; L320-F336 HydrophobicContact CD1-CE1 4.08Å; L320-F336 HydrophobicContact CD1-CG 3.33Å; F336-L345 HydrophobicContact CB-CD1 3.82Å; F336-L345 HydrophobicContact CD2-CD1 3.53Å; F336-L345 HydrophobicContact CE2-CD1 4.46Å; F336-L345 HydrophobicContact CG-CD1 3.99Å; F336-Y346 CarbonylContact C-O 3.09Å; F336-Y346 WeakPolarHBondContact CA-O 3.3Å; F336-Y346 WeakPolarHBondContact CB-O 2.98Å; F336-F347 HydrophobicContact CB-CB 3.88Å
337	F	83.2	Confident	82.7	Confident	41 Å²	41	51.6 Å²	51.6	18%	0.18	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.7	166.9	64.1	-89.4	0	0	0	111.2	W301 Y346 R383 P593	W301-F337 HydrophobicContact CE3-CE1 4.38Å; W301-F337 HydrophobicContact CH2-CD1 4.37Å; W301-F337 AromaticContact CH2-CE1 3.99Å; W301-F337 HydrophobicContact CH2-CE1 3.99Å; W301-F337 HydrophobicContact CZ3-CD1 4.11Å; W301-F337 AromaticContact CZ3-CE1 3.56Å; W301-F337 HydrophobicContact CZ3-CE1 3.56Å; F337-Y346 AromaticContact CD2-CD2 3.69Å; F337-Y346 HydrophobicContact CD2-CD2 3.69Å; F337-Y346 HydrophobicContact CD2-CG 4.16Å; F337-Y346 VanDerWaalsContact CE1-CB 3.5Å; F337-Y346 HydrophobicContact CE1-CG 4.08Å; F337-Y346 HydrophobicContact CE2-CD1 4.3Å; F337-Y346 AromaticContact CE2-CD2 3.18Å; F337-Y346 HydrophobicContact CE2-CD2 3.18Å; F337-Y346 AromaticContact CE2-CE2 3.85Å; F337-Y346 HydrophobicContact CE2-CE2 3.85Å; F337-Y346 AromaticContact CE2-CG 3.46Å; F337-Y346 HydrophobicContact CE2-CG 3.46Å; F337-Y346 VanDerWaalsContact CE2-CG 3.46Å; F337-Y346 HydrophobicContact CZ-CD1 4.02Å; F337-Y346 AromaticContact CZ-CD2 3.7Å; F337-Y346 HydrophobicContact CZ-CD2 3.7Å; F337-Y346 HydrophobicContact CZ-CE2 4.5Å; F337-Y346 AromaticContact CZ-CG 3.41Å; F337-Y346 HydrophobicContact CZ-CG 3.41Å; F337-Y346 VanDerWaalsContact CZ-CG 3.41Å; F337-Y346 PolarHBondContact N-O 3.45Å; F337-Y346 PolarHBondContact O-N 3.48Å; F337-R383 HydrophobicContact CZ-CG 4.34Å; F337-P593 HydrophobicContact CB-CG 4.35Å; F337-P593 HydrophobicContact CD1-CG 4.07Å; F337-P593 HydrophobicContact CD2-CG 4.49Å; F337-P593 HydrophobicContact CE1-CG 4.5Å; F337-P593 HydrophobicContact CG-CG 4.06Å
338	L	83.8	Confident	82.5	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.6	175.4	-66	170.1	0	0	0	110.9	I311 A316 R342 V344 L345	I311-L338 HydrophobicContact CD1-CD2 3.46Å; I311-L338 VanDerWaalsContact CD1-CD2 3.46Å; I311-L338 HydrophobicContact CG1-CD1 4.17Å; I311-L338 HydrophobicContact CG1-CD2 3.57Å; I311-L338 VanDerWaalsContact O-CD1 3.31Å; I311-L338 WeakPolarHBondContact O-CD1 3.39Å; A316-L338 HydrophobicContact CB-CD1 4.43Å; A316-L338 HydrophobicContact CB-CD2 4.32Å; L338-R342 HydrophobicContact CB-CG 4.38Å; L338-R342 HydrophobicContact CD1-CB 4.36Å; L338-R342 HydrophobicContact CD1-CG 4.39Å; L338-V344 WeakPolarHBondContact CA-O 3.05Å; L338-L345 HydrophobicContact CD2-CB 3.97Å; L338-L345 HydrophobicContact CD2-CD1 3.88Å
339	D	82.3	Confident	82.6	Confident	32 Å²	32	46.4 Å²	46.4	17%	0.171	24%	0.238	C	C	.	.			trans	-67.4	177.7	169.4	84.3	-47.5	0	0	0	112.3	S341 R342 R343 V344 Y346	D339-S341 VanDerWaalsContact C-N 3.28Å; D339-S341 PolarHBondContact O-N 3.28Å; D339-S341 PolarHBondContact OD1-N 3.45Å; D339-S341 PolarHBondContact OD1-OG 3.02Å; D339-S341 VanDerWaalsContact OD2-CB 3.31Å; D339-S341 WeakPolarHBondContact OD2-CB 3.39Å; D339-S341 PolarHBondContact OD2-N 3.04Å; D339-S341 PolarHBondContact OD2-OG 2.86Å; D339-R342 PolarHBondContact O-N 2.98Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 WeakPolarHBondContact OD1-CA 3.46Å; D339-R342 PolarHBondContact OD1-N 3.43Å; D339-R343 PolarHBondContact OD1-N 3.29Å; D339-V344 HydrophobicContact CB-CB 4.03Å; D339-V344 PolarHBondContact N-O 3.23Å; D339-V344 PolarHBondContact OD1-N 3.3Å; D339-Y346 HydrophobicContact CB-CE2 4.03Å
340	K	77.5	Confident	81.9	Confident	201 Å²	201	46.5 Å²	46.5	87%	0.874	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-33	179.1	-69.2	-176.6	-179.7	178.1	0	112.7	R342	K340-R342 PolarHBondContact O-N 3.41Å
341	S	83.2	Confident	81.6	Confident	61 Å²	61	44 Å²	44	43%	0.427	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.1	177.2	74.8	0	0	0	0	112.9	D339 R343	D339-S341 VanDerWaalsContact C-N 3.28Å; D339-S341 PolarHBondContact O-N 3.28Å; D339-S341 PolarHBondContact OD1-N 3.45Å; D339-S341 PolarHBondContact OD1-OG 3.02Å; D339-S341 VanDerWaalsContact OD2-CB 3.31Å; D339-S341 WeakPolarHBondContact OD2-CB 3.39Å; D339-S341 PolarHBondContact OD2-N 3.04Å; D339-S341 PolarHBondContact OD2-OG 2.86Å; S341-R343 PolarHBondContact O-N 2.9Å; S341-R343 WeakPolarHBondContact OG-CB 3.14Å; S341-R343 PolarHBondContact OG-N 3.23Å
342	R	86.8	Confident	81.5	Confident	92 Å²	92	44.3 Å²	44.3	35%	0.347	23%	0.228	S	C	.	.	S	Bend	trans	52.7	29.9	-169.1	-56.9	-171.2	-177.2	-178.2	4.6	113	P310 I311 L338 D339 K340	P310-R342 CarbonylContact C-O 3.48Å; P310-R342 WeakPolarHBondContact CA-O 3.06Å; P310-R342 HydrophobicContact CB-CB 3.71Å; I311-R342 WeakPolarHBondContact CG1-O 3.21Å; I311-R342 PolarHBondContact N-O 2.88Å; I311-R342 WeakPolarHBondContact O-CB 3.44Å; I311-R342 WeakPolarHBondContact O-CD 3.28Å; L338-R342 HydrophobicContact CB-CG 4.38Å; L338-R342 HydrophobicContact CD1-CB 4.36Å; L338-R342 HydrophobicContact CD1-CG 4.39Å; D339-R342 PolarHBondContact O-N 2.98Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 WeakPolarHBondContact OD1-CA 3.46Å; D339-R342 PolarHBondContact OD1-N 3.43Å; K340-R342 PolarHBondContact O-N 3.41Å
343	R	87.7	Confident	81.4	Confident	108 Å²	108	42 Å²	42	41%	0.408	21%	0.213	S	C	.	.			trans	-105.9	-13	172.2	-61.5	-165.8	175.4	-157	-2.1	112.1	K305 F306 V307 G309 D339 S341	K305-R343 WeakPolarHBondContact CA-O 3.34Å; F306-R343 PolarHBondContact N-O 3.3Å; V307-R343 PolarHBondContact O-NH1 2.83Å; G309-R343 PolarHBondContact O-NH2 3.4Å; D339-R343 PolarHBondContact OD1-N 3.29Å; S341-R343 PolarHBondContact O-N 2.9Å; S341-R343 WeakPolarHBondContact OG-CB 3.14Å; S341-R343 PolarHBondContact OG-N 3.23Å
344	V	88.8	Confident	81.1	Confident	8 Å²	8	42.7 Å²	42.7	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.5	177.7	-169.4	0	0	0	0	109.5	W303 V304 K305 L338 D339 Y346	W303-V344 HydrophobicContact CB-CG1 4.08Å; W303-V344 HydrophobicContact CE3-CG1 4.31Å; V304-V344 WeakPolarHBondContact O-CA 3.17Å; K305-V344 HydrophobicContact CB-CG2 4.31Å; K305-V344 HydrophobicContact CG-CG2 4.09Å; L338-V344 WeakPolarHBondContact CA-O 3.05Å; D339-V344 HydrophobicContact CB-CB 4.03Å; D339-V344 PolarHBondContact N-O 3.23Å; D339-V344 PolarHBondContact OD1-N 3.3Å; V344-Y346 HydrophobicContact CB-CE2 3.99Å; V344-Y346 HydrophobicContact CG1-CD2 4.21Å; V344-Y346 HydrophobicContact CG1-CE1 4.25Å; V344-Y346 HydrophobicContact CG1-CE2 3.56Å
345	L	91.3	Very high	81.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.1	173.5	175.2	60.5	0	0	0	109.7	W303 V304 F306 I311 A316 I319 L320 F336 L338 F347	W303-L345 CarbonylContact C-O 3.52Å; W303-L345 VanDerWaalsContact CA-O 3.25Å; W303-L345 WeakPolarHBondContact CA-O 3.32Å; V304-L345 PolarHBondContact N-O 2.93Å; V304-L345 PolarHBondContact O-N 3.38Å; F306-L345 HydrophobicContact CE2-CB 3.73Å; F306-L345 HydrophobicContact CE2-CD2 4.29Å; F306-L345 HydrophobicContact CZ-CB 4.45Å; F306-L345 HydrophobicContact CZ-CD2 4.31Å; I311-L345 HydrophobicContact CD1-CB 4.2Å; A316-L345 HydrophobicContact CB-CD1 3.77Å; A316-L345 HydrophobicContact CB-CD2 4.29Å; I319-L345 HydrophobicContact CG2-CD2 4.05Å; L320-L345 HydrophobicContact CD1-CD1 4.43Å; L320-L345 HydrophobicContact CD1-CD2 4.4Å; L320-L345 HydrophobicContact CD2-CD2 4.13Å; L320-L345 HydrophobicContact CG-CD2 4.1Å; F336-L345 HydrophobicContact CB-CD1 3.82Å; F336-L345 HydrophobicContact CD2-CD1 3.53Å; F336-L345 HydrophobicContact CE2-CD1 4.46Å; F336-L345 HydrophobicContact CG-CD1 3.99Å; L338-L345 HydrophobicContact CD2-CB 3.97Å; L338-L345 HydrophobicContact CD2-CD1 3.88Å; L345-F347 HydrophobicContact CD2-CD1 4.5Å; L345-F347 HydrophobicContact CG-CD1 4.24Å
346	Y	89.2	Confident	81.6	Confident	12 Å²	12	37 Å²	37	5%	0.047	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.5	170.9	-60.2	-93.9	0	0	0	108.7	I302 W303 F336 F337 D339 V344 G384	I302-Y346 CarbonylContact O-C 3.48Å; I302-Y346 WeakPolarHBondContact O-CA 3.19Å; W303-Y346 HydrophobicContact CB-CD1 3.53Å; W303-Y346 HydrophobicContact CB-CE1 3.55Å; W303-Y346 HydrophobicContact CB-CG 4.27Å; W303-Y346 HydrophobicContact CG-CD1 4.48Å; W303-Y346 HydrophobicContact CG-CE1 4.16Å; F336-Y346 CarbonylContact C-O 3.09Å; F336-Y346 WeakPolarHBondContact CA-O 3.3Å; F336-Y346 WeakPolarHBondContact CB-O 2.98Å; F337-Y346 AromaticContact CD2-CD2 3.69Å; F337-Y346 HydrophobicContact CD2-CD2 3.69Å; F337-Y346 HydrophobicContact CD2-CG 4.16Å; F337-Y346 VanDerWaalsContact CE1-CB 3.5Å; F337-Y346 HydrophobicContact CE1-CG 4.08Å; F337-Y346 HydrophobicContact CE2-CD1 4.3Å; F337-Y346 AromaticContact CE2-CD2 3.18Å; F337-Y346 HydrophobicContact CE2-CD2 3.18Å; F337-Y346 AromaticContact CE2-CE2 3.85Å; F337-Y346 HydrophobicContact CE2-CE2 3.85Å; F337-Y346 AromaticContact CE2-CG 3.46Å; F337-Y346 HydrophobicContact CE2-CG 3.46Å; F337-Y346 VanDerWaalsContact CE2-CG 3.46Å; F337-Y346 HydrophobicContact CZ-CD1 4.02Å; F337-Y346 AromaticContact CZ-CD2 3.7Å; F337-Y346 HydrophobicContact CZ-CD2 3.7Å; F337-Y346 HydrophobicContact CZ-CE2 4.5Å; F337-Y346 AromaticContact CZ-CG 3.41Å; F337-Y346 HydrophobicContact CZ-CG 3.41Å; F337-Y346 VanDerWaalsContact CZ-CG 3.41Å; F337-Y346 PolarHBondContact N-O 3.45Å; F337-Y346 PolarHBondContact O-N 3.48Å; D339-Y346 HydrophobicContact CB-CE2 4.03Å; V344-Y346 HydrophobicContact CB-CE2 3.99Å; V344-Y346 HydrophobicContact CG1-CD2 4.21Å; V344-Y346 HydrophobicContact CG1-CE1 4.25Å; V344-Y346 HydrophobicContact CG1-CE2 3.56Å; Y346-G384 PolarHBondContact OH-O 2.87Å
347	F	88.8	Confident	81.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.9	174.8	61.8	-92.1	0	0	0	111.9	I302 V304 L320 I323 I333 F335 F336 L345 V349 I360 L364	I302-F347 HydrophobicContact CB-CD2 4.24Å; I302-F347 HydrophobicContact CB-CE1 4.05Å; I302-F347 HydrophobicContact CB-CE2 3.71Å; I302-F347 HydrophobicContact CB-CZ 3.61Å; I302-F347 HydrophobicContact CD1-CE2 3.82Å; I302-F347 HydrophobicContact CD1-CZ 4.07Å; I302-F347 HydrophobicContact CG1-CE2 4.24Å; I302-F347 HydrophobicContact CG1-CZ 4.43Å; I302-F347 HydrophobicContact CG2-CE1 3.78Å; I302-F347 HydrophobicContact CG2-CE2 4.1Å; I302-F347 HydrophobicContact CG2-CZ 3.46Å; I302-F347 VanDerWaalsContact CG2-CZ 3.46Å; I302-F347 PolarHBondContact N-O 3.26Å; I302-F347 PolarHBondContact O-N 3.11Å; V304-F347 HydrophobicContact CG2-CE1 3.73Å; V304-F347 HydrophobicContact CG2-CZ 4.41Å; L320-F347 HydrophobicContact CD1-CB 4.16Å; L320-F347 HydrophobicContact CD2-CB 3.65Å; L320-F347 HydrophobicContact CD2-CD1 3.49Å; L320-F347 VanDerWaalsContact CD2-CD1 3.49Å; L320-F347 HydrophobicContact CD2-CD2 3.92Å; L320-F347 HydrophobicContact CD2-CE1 4Å; L320-F347 HydrophobicContact CD2-CE2 4.39Å; L320-F347 HydrophobicContact CD2-CG 3.42Å; L320-F347 VanDerWaalsContact CD2-CG 3.42Å; L320-F347 HydrophobicContact CD2-CZ 4.42Å; I323-F347 HydrophobicContact CD1-CZ 4.5Å; I333-F347 HydrophobicContact CD1-CD2 3.8Å; I333-F347 HydrophobicContact CD1-CE2 3.7Å; I333-F347 HydrophobicContact CG1-CD2 4.45Å; I333-F347 HydrophobicContact CG2-CB 3.86Å; I333-F347 HydrophobicContact CG2-CD2 3.84Å; I333-F347 HydrophobicContact CG2-CG 4.19Å; F335-F347 VanDerWaalsContact O-CA 3.28Å; F335-F347 WeakPolarHBondContact O-CA 3.14Å; F335-F347 WeakPolarHBondContact O-CB 3.44Å; F336-F347 HydrophobicContact CB-CB 3.88Å; L345-F347 HydrophobicContact CD2-CD1 4.5Å; L345-F347 HydrophobicContact CG-CD1 4.24Å; F347-V349 HydrophobicContact CD2-CG2 4.35Å; F347-V349 HydrophobicContact CE2-CG2 4.13Å; F347-I360 HydrophobicContact CE2-CG2 4.29Å; F347-I360 HydrophobicContact CZ-CG2 4.3Å; F347-L364 HydrophobicContact CZ-CD1 4.11Å
348	H	83.3	Confident	81.6	Confident	21 Å²	21	36 Å²	36	10%	0.097	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	179.3	-178.9	-100.6	0	0	0	110.4	W301 F335 P350	W301-H348 AromaticContact CD1-CD2 3.92Å; W301-H348 HydrophobicContact CD2-CB 4.3Å; W301-H348 AromaticContact CE2-CD2 3.67Å; W301-H348 HydrophobicContact CE3-CB 4.43Å; W301-H348 HydrophobicContact CH2-CB 3.78Å; W301-H348 HydrophobicContact CZ2-CB 3.55Å; W301-H348 HydrophobicContact CZ3-CB 4.22Å; W301-H348 AromaticContact NE1-CD2 3.44Å; W301-H348 PolarHBondContact NE1-CD2 3.28Å; F335-H348 HydrophobicContact CB-CB 4.33Å; F335-H348 HydrophobicContact CD1-CB 3.86Å; F335-H348 PolarHBondContact O-N 3.04Å; H348-P350 WeakPolarHBondContact O-CD 3.35Å
349	V	84.2	Confident	81.7	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.024	19%	0.191	C	C	.	.			trans	-82	112.7	174.1	-176.3	0	0	0	0	108.4	R300 I302 F347 A353 A357 I360	R300-V349 PolarHBondContact O-N 3.49Å; I302-V349 HydrophobicContact CD1-CG2 3.59Å; I302-V349 HydrophobicContact CG1-CG2 4.18Å; F347-V349 HydrophobicContact CD2-CG2 4.35Å; F347-V349 HydrophobicContact CE2-CG2 4.13Å; V349-A353 HydrophobicContact CG1-CB 3.78Å; V349-A357 HydrophobicContact CB-CB 4.3Å; V349-A357 HydrophobicContact CG2-CB 4.02Å; V349-I360 HydrophobicContact CB-CD1 4.23Å; V349-I360 HydrophobicContact CG1-CD1 3.53Å; V349-I360 HydrophobicContact CG2-CD1 3.59Å
350	P	68.9	Low	82	Confident	21 Å²	21	35.3 Å²	35.3	14%	0.136	18%	0.183	C	C	.	.			trans	-67.1	149.3	179.6	26.6	-31.5	0	0	0	111.4	H348 S352 A353	H348-P350 WeakPolarHBondContact O-CD 3.35Å; P350-S352 PolarHBondContact O-N 3.39Å; P350-S352 VanDerWaalsContact O-N 3.12Å; P350-A353 HydrophobicContact CG-CB 4.03Å; P350-A353 WeakPolarHBondContact O-CB 3.34Å; P350-A353 PolarHBondContact O-N 2.69Å
351	S	69.5	Low	82.5	Confident	42 Å²	42	26 Å²	26	29%	0.294	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-45.5	-41.7	170.8	-120.6	0	0	0	0	112.2	R300 A353 E771	R300-S351 VanDerWaalsContact NH1-CB 3.27Å; R300-S351 PolarHBondContact NH1-OG 3.22Å; R300-S351 PolarHBondContact NH2-OG 2.87Å; S351-A353 VanDerWaalsContact C-N 3.27Å; S351-A353 PolarHBondContact O-N 2.68Å; S351-E771 WeakPolarHBondContact CB-OE2 3.45Å; S351-E771 PolarHBondContact OG-OE1 3.42Å; S351-E771 PolarHBondContact OG-OE2 2.87Å
352	S	69.1	Low	82.7	Confident	37 Å²	37	27.8 Å²	27.8	26%	0.259	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-78.5	2.2	-178.5	42.8	0	0	0	0	114.3	T330 S331 P350 G354 D765	T330-S352 WeakPolarHBondContact CB-O 3.47Å; T330-S352 PolarHBondContact OG1-O 3.44Å; S331-S352 WeakPolarHBondContact CB-O 3.48Å; S331-S352 PolarHBondContact N-O 2.95Å; S331-S352 WeakPolarHBondContact OG-CB 3.19Å; S331-S352 PolarHBondContact OG-O 3.08Å; S331-S352 PolarHBondContact OG-OG 3.35Å; P350-S352 PolarHBondContact O-N 3.39Å; P350-S352 VanDerWaalsContact O-N 3.12Å; S352-G354 PolarHBondContact O-N 2.79Å; S352-D765 PolarHBondContact OG-OD2 3.07Å
353	A	75.3	Confident	82.7	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.008	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-65.9	-20.5	174.1	0	0	0	0	0	113.3	L329 T330 V349 P350 S351 V355	L329-A353 CarbonylContact C-O 3.51Å; L329-A353 WeakPolarHBondContact CA-O 3.46Å; L329-A353 HydrophobicContact CB-CB 4.36Å; L329-A353 HydrophobicContact CD1-CB 4.36Å; L329-A353 HydrophobicContact CD2-CB 4.38Å; T330-A353 PolarHBondContact N-O 2.93Å; T330-A353 PolarHBondContact OG1-O 2.85Å; T330-A353 VanDerWaalsContact OG1-O 3.08Å; V349-A353 HydrophobicContact CG1-CB 3.78Å; P350-A353 HydrophobicContact CG-CB 4.03Å; P350-A353 WeakPolarHBondContact O-CB 3.34Å; P350-A353 PolarHBondContact O-N 2.69Å; S351-A353 VanDerWaalsContact C-N 3.27Å; S351-A353 PolarHBondContact O-N 2.68Å; A353-V355 PolarHBondContact O-N 3.44Å
354	G	74.4	Confident	82.8	Confident	22 Å²	22	18.8 Å²	18.8	23%	0.227	12%	0.116	C	C	.	.	S	Bend	trans	73.4	0.9	176.6	0	0	0	0	0	115	L284 T330 S352	L284-G354 PolarHBondContact N-O 2.83Å; T330-G354 WeakPolarHBondContact OG1-CA 3.29Å; T330-G354 PolarHBondContact OG1-N 2.76Å; T330-G354 VanDerWaalsContact OG1-N 3.16Å; S352-G354 PolarHBondContact O-N 2.79Å
355	V	78.6	Confident	82.6	Confident	8 Å²	8	22.2 Å²	22.2	5%	0.048	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-133.8	133.3	-177.8	-179.9	0	0	0	0	108.1	V281 L329 A353 T359 I360	V281-V355 HydrophobicContact CG1-CG2 3.95Å; L329-V355 HydrophobicContact CD2-CB 3.63Å; L329-V355 HydrophobicContact CD2-CG1 4.31Å; L329-V355 HydrophobicContact CD2-CG2 3.65Å; A353-V355 PolarHBondContact O-N 3.44Å; V355-T359 HydrophobicContact CG1-CG2 3.65Å; V355-I360 HydrophobicContact CG1-CG1 4.19Å
356	S	81.3	Confident	82	Confident	14 Å²	14	27 Å²	27	10%	0.098	16%	0.163	C	C	.	.			trans	-63.9	149	178.1	79.1	0	0	0	0	111.1	E298 D358 T359 I360	E298-S356 VanDerWaalsContact CD-CB 3.47Å; E298-S356 WeakPolarHBondContact OE1-CB 3.49Å; S356-D358 PolarHBondContact O-N 3.21Å; S356-T359 WeakPolarHBondContact O-CB 3.41Å; S356-T359 PolarHBondContact O-N 3.39Å; S356-T359 VanDerWaalsContact O-N 3.1Å; S356-T359 PolarHBondContact OG-N 2.94Å; S356-T359 VanDerWaalsContact OG-N 3.12Å; S356-T359 PolarHBondContact OG-OG1 3.05Å; S356-I360 PolarHBondContact O-N 2.97Å
357	A	84.6	Confident	81.1	Confident	1 Å²	1	31 Å²	31	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-31.3	176.1	0	0	0	0	0	112.4	R299 I302 V349 T359 I360 V361 F381	R299-A357 WeakPolarHBondContact O-CB 3.37Å; I302-A357 HydrophobicContact CD1-CB 4.03Å; I302-A357 HydrophobicContact CG1-CB 4.34Å; V349-A357 HydrophobicContact CB-CB 4.3Å; V349-A357 HydrophobicContact CG2-CB 4.02Å; A357-T359 VanDerWaalsContact C-N 3.33Å; A357-T359 PolarHBondContact O-N 3.13Å; A357-I360 WeakPolarHBondContact O-CB 3.34Å; A357-I360 PolarHBondContact O-N 3.34Å; A357-I360 VanDerWaalsContact O-N 3.1Å; A357-V361 PolarHBondContact O-N 3.49Å; A357-F381 HydrophobicContact CB-CE1 4.39Å
358	D	84.5	Confident	80.3	Confident	60 Å²	60	31.7 Å²	31.7	32%	0.321	18%	0.184	S	C	.	.	H	α-helix	trans	-58.3	-44.4	171.2	-60.5	-94.4	0	0	0	112	S356 I360 V361 D362 F381	S356-D358 PolarHBondContact O-N 3.21Å; D358-I360 VanDerWaalsContact C-N 3.26Å; D358-I360 PolarHBondContact O-N 3.24Å; D358-V361 PolarHBondContact O-N 2.94Å; D358-D362 WeakPolarHBondContact O-CB 3.22Å; D358-D362 VanDerWaalsContact O-CG 3.32Å; D358-D362 PolarHBondContact O-N 2.98Å; D358-F381 HydrophobicContact CB-CZ 4.3Å; D358-F381 WeakPolarHBondContact OD1-CZ 3.19Å
359	T	85.6	Confident	79.8	Confident	28 Å²	28	36.9 Å²	36.9	17%	0.172	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-35.8	174.8	-48.7	0	0	0	0	112	V355 S356 A357 A363	V355-T359 HydrophobicContact CG1-CG2 3.65Å; S356-T359 WeakPolarHBondContact O-CB 3.41Å; S356-T359 PolarHBondContact O-N 3.39Å; S356-T359 VanDerWaalsContact O-N 3.1Å; S356-T359 PolarHBondContact OG-N 2.94Å; S356-T359 VanDerWaalsContact OG-N 3.12Å; S356-T359 PolarHBondContact OG-OG1 3.05Å; A357-T359 VanDerWaalsContact C-N 3.33Å; A357-T359 PolarHBondContact O-N 3.13Å; T359-A363 VanDerWaalsContact O-CB 3.25Å; T359-A363 WeakPolarHBondContact O-CB 3.48Å; T359-A363 PolarHBondContact O-N 3.3Å
360	I	89	Confident	79.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-47.1	177.9	-63.2	173.1	0	0	0	110	I302 I323 L327 L329 F347 V349 V355 S356 A357 D358 D362 A363 L364	I302-I360 HydrophobicContact CD1-CB 3.71Å; I302-I360 HydrophobicContact CD1-CG2 3.57Å; I323-I360 HydrophobicContact CG2-CG2 4.3Å; L327-I360 HydrophobicContact CD1-CB 4.07Å; L327-I360 HydrophobicContact CD1-CG1 3.79Å; L327-I360 HydrophobicContact CD1-CG2 3.83Å; L329-I360 HydrophobicContact CD1-CD1 4.18Å; L329-I360 HydrophobicContact CD2-CD1 4.12Å; L329-I360 HydrophobicContact CD2-CG1 4.46Å; F347-I360 HydrophobicContact CE2-CG2 4.29Å; F347-I360 HydrophobicContact CZ-CG2 4.3Å; V349-I360 HydrophobicContact CB-CD1 4.23Å; V349-I360 HydrophobicContact CG1-CD1 3.53Å; V349-I360 HydrophobicContact CG2-CD1 3.59Å; V355-I360 HydrophobicContact CG1-CG1 4.19Å; S356-I360 PolarHBondContact O-N 2.97Å; A357-I360 WeakPolarHBondContact O-CB 3.34Å; A357-I360 PolarHBondContact O-N 3.34Å; A357-I360 VanDerWaalsContact O-N 3.1Å; D358-I360 VanDerWaalsContact C-N 3.26Å; D358-I360 PolarHBondContact O-N 3.24Å; I360-D362 PolarHBondContact O-N 2.97Å; I360-A363 PolarHBondContact O-N 3.33Å; I360-L364 HydrophobicContact CG2-CD1 3.88Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.41Å; I360-L364 WeakPolarHBondContact O-CG 3.19Å; I360-L364 PolarHBondContact O-N 3.46Å
361	V	89	Confident	80	Confident	5 Å²	5	39 Å²	39	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-44.2	175.9	172.6	0	0	0	0	111.3	I302 A357 D358 A363 L364 N365 V379 F381	I302-V361 HydrophobicContact CB-CG2 4.43Å; I302-V361 HydrophobicContact CD1-CG2 3.69Å; I302-V361 HydrophobicContact CG1-CG2 3.75Å; I302-V361 HydrophobicContact CG2-CG2 3.88Å; A357-V361 PolarHBondContact O-N 3.49Å; D358-V361 PolarHBondContact O-N 2.94Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 2.56Å; V361-L364 PolarHBondContact O-N 2.99Å; V361-N365 WeakPolarHBondContact CG1-ND2 3.23Å; V361-N365 WeakPolarHBondContact O-CB 3.33Å; V361-N365 PolarHBondContact O-N 2.75Å; V361-N365 PolarHBondContact O-ND2 3.49Å; V361-V379 HydrophobicContact CB-CG1 4.49Å; V361-V379 HydrophobicContact CG1-CG1 4.14Å; V361-V379 HydrophobicContact CG2-CG1 4.18Å; V361-F381 HydrophobicContact CB-CE1 4.05Å; V361-F381 HydrophobicContact CB-CE2 4.25Å; V361-F381 HydrophobicContact CB-CZ 3.74Å; V361-F381 HydrophobicContact CG1-CE2 4.04Å; V361-F381 HydrophobicContact CG1-CZ 4.04Å; V361-F381 HydrophobicContact CG2-CD1 3.85Å; V361-F381 HydrophobicContact CG2-CE1 3.41Å; V361-F381 VanDerWaalsContact CG2-CE1 3.41Å; V361-F381 HydrophobicContact CG2-CE2 4.15Å; V361-F381 HydrophobicContact CG2-CG 4.43Å; V361-F381 HydrophobicContact CG2-CZ 3.6Å
362	D	86.2	Confident	80.1	Confident	99 Å²	99	41 Å²	41	53%	0.529	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-42.2	175.8	-77.2	-13.8	0	0	0	111.4	D358 I360 N365 T366	D358-D362 WeakPolarHBondContact O-CB 3.22Å; D358-D362 VanDerWaalsContact O-CG 3.32Å; D358-D362 PolarHBondContact O-N 2.98Å; I360-D362 PolarHBondContact O-N 2.97Å; D362-N365 PolarHBondContact O-N 3.48Å; D362-T366 WeakPolarHBondContact O-CB 3.4Å; D362-T366 WeakPolarHBondContact O-CG2 3.37Å; D362-T366 PolarHBondContact O-N 3.34Å; D362-T366 PolarHBondContact O-OG1 3.25Å
363	A	87.6	Confident	80.5	Confident	9 Å²	9	42.2 Å²	42.2	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-40	177.1	0	0	0	0	0	112.2	L327 T359 I360 V361 K367 M368	L327-A363 HydrophobicContact CD1-CB 4.24Å; L327-A363 HydrophobicContact CD2-CB 3.49Å; L327-A363 VanDerWaalsContact CD2-CB 3.49Å; T359-A363 VanDerWaalsContact O-CB 3.25Å; T359-A363 WeakPolarHBondContact O-CB 3.48Å; T359-A363 PolarHBondContact O-N 3.3Å; I360-A363 PolarHBondContact O-N 3.33Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 2.56Å; A363-K367 WeakPolarHBondContact O-CA 3.37Å; A363-K367 WeakPolarHBondContact O-CB 3.35Å; A363-K367 PolarHBondContact O-N 3.34Å; A363-M368 PolarHBondContact O-N 3.06Å
364	L	88.9	Confident	80.9	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-42.3	175.9	-67.7	168.6	0	0	0	111.5	I302 V304 I323 F347 I360 V361 M368 I371 I376 V379	I302-L364 HydrophobicContact CG2-CD1 4.35Å; V304-L364 HydrophobicContact CG2-CD1 3.85Å; I323-L364 HydrophobicContact CD1-CD2 4.04Å; I323-L364 HydrophobicContact CG1-CD2 4.17Å; F347-L364 HydrophobicContact CZ-CD1 4.11Å; I360-L364 HydrophobicContact CG2-CD1 3.88Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.41Å; I360-L364 WeakPolarHBondContact O-CG 3.19Å; I360-L364 PolarHBondContact O-N 3.46Å; V361-L364 PolarHBondContact O-N 2.99Å; L364-M368 HydrophobicContact CD2-CB 4.46Å; L364-M368 HydrophobicContact CD2-SD 3.83Å; L364-M368 VanDerWaalsContact O-O 3.06Å; L364-I371 HydrophobicContact CD2-CD1 3.48Å; L364-I371 VanDerWaalsContact CD2-CD1 3.48Å; L364-I376 HydrophobicContact CD2-CD1 4.06Å; L364-V379 HydrophobicContact CB-CG1 4.19Å; L364-V379 HydrophobicContact CB-CG2 4.02Å; L364-V379 HydrophobicContact CD1-CG1 3.89Å
365	N	85.1	Confident	81.5	Confident	81 Å²	81	45.6 Å²	45.6	43%	0.433	27%	0.267	S	S	.	.	H	α-helix	trans	-73.6	-29.5	179.9	-79.5	-29.6	0	0	0	114.3	V361 D362	V361-N365 WeakPolarHBondContact CG1-ND2 3.23Å; V361-N365 WeakPolarHBondContact O-CB 3.33Å; V361-N365 PolarHBondContact O-N 2.75Å; V361-N365 PolarHBondContact O-ND2 3.49Å; D362-N365 PolarHBondContact O-N 3.48Å
366	T	78.9	Confident	81.9	Confident	99 Å²	99	46.5 Å²	46.5	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-109.7	-24.1	-171.3	61.6	0	0	0	0	115	D362	D362-T366 WeakPolarHBondContact O-CB 3.4Å; D362-T366 WeakPolarHBondContact O-CG2 3.37Å; D362-T366 PolarHBondContact O-N 3.34Å; D362-T366 PolarHBondContact O-OG1 3.25Å
367	K	70.1	Confident	82.3	Confident	96 Å²	96	50.6 Å²	50.6	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-125.6	-16.2	-170	-65.4	174.1	-174.3	170.2	0	113.9	I276 S280 A363	I276-K367 HydrophobicContact CD1-CD 4.31Å; I276-K367 HydrophobicContact CG2-CD 4.34Å; S280-K367 VanDerWaalsContact CB-NZ 3.32Å; S280-K367 PolarHBondContact OG-NZ 3.49Å; A363-K367 WeakPolarHBondContact O-CA 3.37Å; A363-K367 WeakPolarHBondContact O-CB 3.35Å; A363-K367 PolarHBondContact O-N 3.34Å
368	M	71.3	Confident	82.5	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.074	31%	0.31	C	S	.	.			trans	-122.4	85.3	-179.4	-70.2	-177.9	162.9	0	0	111.2	D326 A363 L364 S370 I371 I376	D326-M368 HydrophobicContact CB-CE 3.38Å; D326-M368 WeakPolarHBondContact OD2-CE 3.35Å; A363-M368 PolarHBondContact O-N 3.06Å; L364-M368 HydrophobicContact CD2-CB 4.46Å; L364-M368 HydrophobicContact CD2-SD 3.83Å; L364-M368 VanDerWaalsContact O-O 3.06Å; M368-S370 PolarHBondContact O-N 3.21Å; M368-I371 HydrophobicContact CB-CD1 4.4Å; M368-I371 HydrophobicContact CB-CG1 4.08Å; M368-I371 HydrophobicContact CG-CG1 4.42Å; M368-I371 HydrophobicContact SD-CD1 3.79Å; M368-I371 HydrophobicContact SD-CG1 3.89Å; M368-I376 HydrophobicContact CB-CD1 4.45Å; M368-I376 VanDerWaalsContact O-CD1 3.28Å; M368-I376 WeakPolarHBondContact O-CD1 3.4Å
369	N	72.8	Confident	82.7	Confident	131 Å²	131	52 Å²	52	70%	0.701	30%	0.297	S	S	*	.	S	Bend	trans	-71.2	-22.2	173	-61.3	-10	0	0	0	112	S375 I376	N369-S375 WeakPolarHBondContact O-CA 3.18Å; N369-I376 PolarHBondContact O-N 3.04Å
370	S	78.8	Confident	82.7	Confident	68 Å²	68	51.2 Å²	51.2	48%	0.476	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	142.9	177.1	59.5	0	0	0	0	110.3	M368 Y374	M368-S370 PolarHBondContact O-N 3.21Å; S370-Y374 CarbonylContact C-O 3.52Å; S370-Y374 WeakPolarHBondContact CA-O 3.08Å
371	I	79.2	Confident	82.6	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.5	174.2	-56.7	171.5	0	0	0	107.7	I319 K322 I323 L364 M368 G373 Y374 I376	I319-I371 HydrophobicContact CB-CG2 4.39Å; I319-I371 HydrophobicContact CG1-CG2 4.31Å; I319-I371 HydrophobicContact CG2-CD1 4.49Å; I319-I371 HydrophobicContact CG2-CG2 4.01Å; K322-I371 HydrophobicContact CB-CG2 4.34Å; K322-I371 HydrophobicContact CD-CG2 3.98Å; K322-I371 HydrophobicContact CG-CG2 4.18Å; I323-I371 HydrophobicContact CD1-CD1 3.82Å; I323-I371 HydrophobicContact CG1-CD1 3.75Å; L364-I371 HydrophobicContact CD2-CD1 3.48Å; L364-I371 VanDerWaalsContact CD2-CD1 3.48Å; M368-I371 HydrophobicContact CB-CD1 4.4Å; M368-I371 HydrophobicContact CB-CG1 4.08Å; M368-I371 HydrophobicContact CG-CG1 4.42Å; M368-I371 HydrophobicContact SD-CD1 3.79Å; M368-I371 HydrophobicContact SD-CG1 3.89Å; I371-G373 PolarHBondContact O-N 2.85Å; I371-Y374 PolarHBondContact N-O 3.12Å; I371-Y374 WeakPolarHBondContact O-CB 3.37Å; I371-Y374 PolarHBondContact O-N 3.22Å; I371-I376 HydrophobicContact CD1-CD1 3.66Å; I371-I376 HydrophobicContact CD1-CG1 4.49Å; I371-I376 HydrophobicContact CG1-CD1 4.02Å
372	D	72.7	Confident	81.6	Confident	83 Å²	83	54.7 Å²	54.7	44%	0.444	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.3	176.9	-127.2	36.1	0	0	0	114.3	K322 Y374	K322-D372 HydrophobicContact CD-CB 4.16Å; K322-D372 IonicContact NZ-OD1 2.79Å; K322-D372 PolarHBondContact NZ-OD1 3.44Å; D372-Y374 VanDerWaalsContact C-N 3.3Å; D372-Y374 PolarHBondContact O-N 3.24Å
373	G	77.2	Confident	80.6	Confident	63 Å²	63	54.2 Å²	54.2	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-8.8	-177.8	0	0	0	0	0	114.8	I371	I371-G373 PolarHBondContact O-N 2.85Å
374	Y	83.8	Confident	78.7	Confident	46 Å²	46	55.5 Å²	55.5	18%	0.18	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	176.5	-66.6	-78.9	0	0	0	111.3	N308 I311 E315 I319 S370 I371 D372	N308-Y374 WeakPolarHBondContact O-CD1 3.32Å; I311-Y374 HydrophobicContact CG2-CD1 3.61Å; I311-Y374 HydrophobicContact CG2-CD2 4.39Å; I311-Y374 HydrophobicContact CG2-CE1 3.39Å; I311-Y374 HydrophobicContact CG2-CE2 4.19Å; I311-Y374 HydrophobicContact CG2-CG 4.12Å; E315-Y374 HydrophobicContact CB-CE2 4.44Å; E315-Y374 PolarHBondContact OE1-OH 2.89Å; I319-Y374 HydrophobicContact CD1-CD2 3.97Å; I319-Y374 HydrophobicContact CD1-CG 4.46Å; S370-Y374 CarbonylContact C-O 3.52Å; S370-Y374 WeakPolarHBondContact CA-O 3.08Å; I371-Y374 PolarHBondContact N-O 3.12Å; I371-Y374 WeakPolarHBondContact O-CB 3.37Å; I371-Y374 PolarHBondContact O-N 3.22Å; D372-Y374 VanDerWaalsContact C-N 3.3Å; D372-Y374 PolarHBondContact O-N 3.24Å
375	S	86	Confident	76.2	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.2	174.1	-56.6	0	0	0	0	111.1	F306 V307 N369	F306-S375 WeakPolarHBondContact CA-O 3.16Å; V307-S375 PolarHBondContact N-O 3.43Å; N369-S375 WeakPolarHBondContact O-CA 3.18Å
376	I	88.1	Confident	73.6	Confident	28 Å²	28	61 Å²	61	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.4	176.7	-59.5	-174.2	0	0	0	108.7	V304 F306 L364 M368 N369 I371 V379	V304-I376 HydrophobicContact CG1-CD1 4.17Å; V304-I376 HydrophobicContact CG1-CG1 4.11Å; V304-I376 HydrophobicContact CG1-CG2 4.02Å; F306-I376 HydrophobicContact CE1-CG1 4.37Å; L364-I376 HydrophobicContact CD2-CD1 4.06Å; M368-I376 HydrophobicContact CB-CD1 4.45Å; M368-I376 VanDerWaalsContact O-CD1 3.28Å; M368-I376 WeakPolarHBondContact O-CD1 3.4Å; N369-I376 PolarHBondContact O-N 3.04Å; I371-I376 HydrophobicContact CD1-CD1 3.66Å; I371-I376 HydrophobicContact CD1-CG1 4.49Å; I371-I376 HydrophobicContact CG1-CD1 4.02Å; I376-V379 HydrophobicContact CG2-CG2 3.39Å
377	E	88.2	Confident	71.1	Confident	99 Å²	99	63.1 Å²	63.1	46%	0.463	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-46.2	174.1	-170.6	-173.4	156.7	0	0	110.8	K305 V307	K305-E377 HydrophobicContact CB-CB 4.42Å; K305-E377 HydrophobicContact CD-CB 4.41Å; K305-E377 HydrophobicContact CD-CG 4.4Å; K305-E377 VanDerWaalsContact CD-OE2 3.3Å; K305-E377 WeakPolarHBondContact CD-OE2 3.39Å; K305-E377 VanDerWaalsContact CE-CD 3.5Å; K305-E377 WeakPolarHBondContact CE-OE2 3.46Å; K305-E377 HydrophobicContact CG-CB 4.2Å; K305-E377 IonicContact NZ-OE1 2.81Å; K305-E377 PolarHBondContact NZ-OE1 2.03Å; K305-E377 IonicContact NZ-OE2 2.7Å; K305-E377 PolarHBondContact NZ-OE2 3.17Å; K305-E377 VanDerWaalsContact NZ-OE2 3.11Å; K305-E377 WeakPolarHBondContact O-CB 3.1Å; K305-E377 PolarHBondContact O-N 3.15Å; V307-E377 HydrophobicContact CG2-CB 3.68Å; V307-E377 HydrophobicContact CG2-CG 4.24Å
378	D	88.9	Confident	69.1	Low	83 Å²	83	65.6 Å²	65.6	44%	0.444	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	153	-176.1	-162.3	3	0	0	0	110.4	W303 K305	W303-D378 HydrophobicContact CH2-CB 4Å; W303-D378 WeakPolarHBondContact CH2-OD2 2.99Å; W303-D378 HydrophobicContact CZ3-CB 3.88Å; K305-D378 HydrophobicContact CB-CB 4.4Å; K305-D378 PolarHBondContact N-O 3.26Å; K305-D378 PolarHBondContact O-N 2.99Å
379	V	89.9	Confident	66.9	Low	8 Å²	8	70.8 Å²	70.8	5%	0.048	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.1	178.7	-174.2	0	0	0	0	109.1	I302 W303 V304 V361 L364 I376	I302-V379 HydrophobicContact CG2-CG1 3.87Å; W303-V379 WeakPolarHBondContact O-CA 3.34Å; W303-V379 WeakPolarHBondContact O-CG1 2.98Å; V304-V379 HydrophobicContact CG1-CG2 4.26Å; V304-V379 HydrophobicContact CG2-CG1 3.99Å; V304-V379 HydrophobicContact CG2-CG2 4.04Å; V361-V379 HydrophobicContact CB-CG1 4.49Å; V361-V379 HydrophobicContact CG1-CG1 4.14Å; V361-V379 HydrophobicContact CG2-CG1 4.18Å; L364-V379 HydrophobicContact CB-CG1 4.19Å; L364-V379 HydrophobicContact CB-CG2 4.02Å; L364-V379 HydrophobicContact CD1-CG1 3.89Å; I376-V379 HydrophobicContact CG2-CG2 3.39Å
380	G	85.9	Confident	64.7	Low	11 Å²	11	72 Å²	72	11%	0.113	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-174	175.7	0	0	0	0	0	113	I302 W303	I302-G380 WeakPolarHBondContact CA-O 2.89Å; W303-G380 VanDerWaalsContact CD1-C 3.46Å; W303-G380 VanDerWaalsContact CE2-CA 3.46Å; W303-G380 PolarHBondContact N-O 2.93Å; W303-G380 VanDerWaalsContact NE1-C 3.27Å; W303-G380 PolarHBondContact O-N 3.4Å
381	F	85.2	Confident	62.2	Low	52 Å²	52	73.8 Å²	73.8	23%	0.228	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	157.7	-179.9	-58.5	-84.2	0	0	0	112.1	R299 W301 I302 W303 A357 D358 V361	R299-F381 HydrophobicContact CB-CB 4.04Å; R299-F381 HydrophobicContact CB-CD1 3.23Å; R299-F381 HydrophobicContact CB-CE1 3.68Å; R299-F381 HydrophobicContact CB-CG 3.77Å; R299-F381 HydrophobicContact CG-CB 4.4Å; R299-F381 HydrophobicContact CG-CD1 4.1Å; R299-F381 HydrophobicContact CG-CE1 4.49Å; R299-F381 HydrophobicContact CG-CG 4.21Å; R299-F381 VanDerWaalsContact NH1-CD2 3.27Å; R299-F381 WeakPolarHBondContact O-CD1 3.45Å; W301-F381 CarbonylContact O-C 3.56Å; W301-F381 VanDerWaalsContact O-CA 3.29Å; W301-F381 WeakPolarHBondContact O-CA 3.08Å; I302-F381 HydrophobicContact CG1-CD1 4.43Å; W303-F381 PolarHBondContact NE1-O 3.11Å; W303-F381 VanDerWaalsContact NE1-O 3.11Å; A357-F381 HydrophobicContact CB-CE1 4.39Å; D358-F381 HydrophobicContact CB-CZ 4.3Å; D358-F381 WeakPolarHBondContact OD1-CZ 3.19Å; V361-F381 HydrophobicContact CB-CE1 4.05Å; V361-F381 HydrophobicContact CB-CE2 4.25Å; V361-F381 HydrophobicContact CB-CZ 3.74Å; V361-F381 HydrophobicContact CG1-CE2 4.04Å; V361-F381 HydrophobicContact CG1-CZ 4.04Å; V361-F381 HydrophobicContact CG2-CD1 3.85Å; V361-F381 HydrophobicContact CG2-CE1 3.41Å; V361-F381 VanDerWaalsContact CG2-CE1 3.41Å; V361-F381 HydrophobicContact CG2-CE2 4.15Å; V361-F381 HydrophobicContact CG2-CG 4.43Å; V361-F381 HydrophobicContact CG2-CZ 3.6Å
382	G	70	Confident	59.9	Low	26 Å²	26	82.4 Å²	82.4	27%	0.268	49%	0.486	S	S	.	.	S	Bend	trans	89.3	176.8	171.9	0	0	0	0	0	114.9	W301 G384	W301-G382 PolarHBondContact O-N 3.1Å; G382-G384 PolarHBondContact O-N 3.2Å
383	R	64.1	Low	57.7	Low	89 Å²	89	83.6 Å²	83.6	34%	0.336	50%	0.501	S	S	.	.			trans	-95.6	76.4	171.5	-67	-177.8	175.2	-171.1	6.2	109	W301 F337 A385	W301-R383 HydrophobicContact CD2-CG 3.92Å; W301-R383 VanDerWaalsContact CE2-NE 3.31Å; W301-R383 HydrophobicContact CE3-CG 3.95Å; W301-R383 HydrophobicContact CG-CG 4.14Å; W301-R383 VanDerWaalsContact CH2-NH2 3.3Å; F337-R383 HydrophobicContact CZ-CG 4.34Å; R383-A385 PolarHBondContact O-N 3.37Å
384	G	47.8	Very low	55.3	Low	37 Å²	37	85.5 Å²	85.5	38%	0.381	50%	0.504	S	S	.	.			trans	-60.9	120.2	-176.3	0	0	0	0	0	113.8	Y346 G382 V386	Y346-G384 PolarHBondContact OH-O 2.87Å; G382-G384 PolarHBondContact O-N 3.2Å; G384-V386 PolarHBondContact O-N 3.32Å
385	A	35.7	Very low	52.9	Low	99 Å²	99	89.3 Å²	89.3	82%	0.818	53%	0.532	S	S	*	.			trans	-71	107.2	160.1	0	0	0	0	0	108.3	R383 N387	R383-A385 PolarHBondContact O-N 3.37Å; A385-N387 PolarHBondContact O-N 3.39Å
386	V	30.7	Very low	50.2	Low	99 Å²	99	94.8 Å²	94.8	60%	0.6	56%	0.558	S	S	*	*	S	Bend	trans	-62.1	99.9	172.8	179.3	0	0	0	0	108.6	G384	G384-V386 PolarHBondContact O-N 3.32Å
387	N	27.3	Very low	47.4	Very low	144 Å²	144	98.2 Å²	98.2	77%	0.77	59%	0.59	S	S	*	*			trans	172.7	89.1	140.6	-84	-17.2	0	0	0	109.7	A385	A385-N387 PolarHBondContact O-N 3.39Å
388	T	27.3	Very low	44.6	Very low	147 Å²	147	99.2 Å²	99.2	90%	0.902	61%	0.605	S	S	*	*				-176.2	115.5	129.9	28.5	0	0	0	0	109.7
389	V	25.1	Very low	42	Very low	124 Å²	124	101.3 Å²	101.3	75%	0.752	62%	0.621	S	S	*	*			trans	-57.5	134.9	166.2	174.4	0	0	0	0	109.6
390	N	26.4	Very low	39.3	Very low	157 Å²	157	109.6 Å²	109.6	84%	0.84	66%	0.66	S	S	*	*			trans	-169.1	99.2	134.6	-90.3	-16.6	0	0	0	110
391	T	26.1	Very low	36.4	Very low	106 Å²	106	114.2 Å²	114.2	65%	0.65	69%	0.69	S	S	*	*			trans	-58.5	138	153.5	40	0	0	0	0	110
392	H	30.6	Very low	33.9	Very low	182 Å²	182	118 Å²	118	84%	0.843	72%	0.72	S	S	*	*				161.6	109.7	126.7	-82.8	-61.1	0	0	0	110
393	S	26.9	Very low	32.2	Very low	108 Å²	108	125.9 Å²	125.9	76%	0.755	75%	0.75	S	S	*	*			trans	-88.4	148.7	156.8	54.3	0	0	0	0	109.7
394	S	28.1	Very low	30.7	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	77%	0.77	S	S	*	*			trans	104.1	124.8	155.8	83.1	0	0	0	0	119.2
395	T	31.9	Very low	29.9	Very low	125 Å²	125	131.2 Å²	131.2	77%	0.767	79%	0.792	S	S	*	*			trans	93.2	90.5	151.7	62.9	0	0	0	0	120.6
396	N	30	Very low	29.4	Very low	163 Å²	163	134.8 Å²	134.8	87%	0.872	80%	0.797	S	S	*	*				25.2	113.8	126.8	-59.7	-18.4	0	0	0	119.8
397	A	29.1	Very low	29.4	Very low	99 Å²	99	138.4 Å²	138.4	82%	0.818	81%	0.811	S	S	*	*				173.4	143.5	115	0	0	0	0	0	110.9
398	P	30.7	Very low	29.4	Very low	120 Å²	120	140 Å²	140	78%	0.779	81%	0.814	S	S	*	*			trans	-108	141.2	-168.2	36.9	-26.9	0	0	0	113.9
399	T	33.5	Very low	29.5	Very low	127 Å²	127	144.8 Å²	144.8	78%	0.779	82%	0.815	S	S	*	*			trans	-161	121.1	153.5	-26.1	0	0	0	0	112.8
400	E	32.7	Very low	29.7	Very low	183 Å²	183	143 Å²	143	86%	0.855	81%	0.809	S	S	*	*			trans	59.7	120.1	146.4	-70.4	173.9	168.4	0	0	123.9
401	S	24.9	Very low	30.1	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	81%	0.807	S	S	*	*			trans	-68.4	158.7	162.4	56.3	0	0	0	0	113.6
402	P	33.1	Very low	30.3	Very low	132 Å²	132	144 Å²	144	86%	0.857	82%	0.815	S	S	*	*				-147.5	166.2	91.1	29.6	-7.7	0	0	0	117.3
403	Q	33.5	Very low	30.4	Very low	191 Å²	191	139 Å²	139	89%	0.893	81%	0.812	S	S	*	*			trans	-74.4	178	-168.5	-102.9	-167.5	-66.2	0	0	117.7
404	P	34.3	Very low	30.6	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	82%	0.818	S	S	*	*			trans	-106.7	177.8	-145.4	43.2	-38.2	0	0	0	116
405	S	29.9	Very low	30.8	Very low	120 Å²	120	144.1 Å²	144.1	84%	0.839	82%	0.821	S	S	*	*			trans	-138.2	120.5	167.3	56.3	0	0	0	0	112.9
406	L	26.1	Very low	30.9	Very low	175 Å²	175	146.5 Å²	146.5	92%	0.916	83%	0.829	S	S	*	*			trans	-72	141	164.7	-82.8	149.8	0	0	0	110.8
407	L	28.9	Very low	31	Very low	174 Å²	174	149.8 Å²	149.8	91%	0.911	83%	0.829	S	S	*	*			trans	-145.1	117.6	156.5	-104.2	169.7	0	0	0	112
408	H	28.2	Very low	31.3	Very low	179 Å²	179	154.5 Å²	154.5	83%	0.829	83%	0.831	S	S	*	*			trans	-62	141.8	168.4	-123.4	-85.7	0	0	0	111.7
409	R	29.1	Very low	31.5	Very low	246 Å²	246	155.9 Å²	155.9	93%	0.928	84%	0.837	S	S	*	*			trans	-162.3	124.7	136.8	-144.6	167	176.2	167	-1.7	112.9
410	S	29.3	Very low	31.5	Very low	88 Å²	88	153.4 Å²	153.4	62%	0.615	84%	0.837	S	S	*	*			trans	-84	154.8	165.1	141.9	0	0	0	0	109.6
411	V	35.9	Very low	31.6	Very low	130 Å²	130	154.2 Å²	154.2	79%	0.788	84%	0.841	S	S	*	*			trans	165.5	139.3	131.8	162.1	0	0	0	0	110
412	D	29.5	Very low	32.8	Very low	154 Å²	154	153.9 Å²	153.9	82%	0.824	83%	0.834	S	S	*	*			trans	-62.4	167.3	-172.6	-47.7	-72.1	0	0	0	116.6
413	G	33.1	Very low	33.4	Very low	76 Å²	76	155.4 Å²	155.4	78%	0.784	83%	0.827	S	S	*	*			trans	151.1	105.8	157	0	0	0	0	0	115.5
414	E	30.5	Very low	34.6	Very low	188 Å²	188	154.8 Å²	154.8	88%	0.879	82%	0.817	S	S	*	*			trans	-50.2	138	174.4	-62.4	168.1	117.7	0	0	114.8
415	T	32.8	Very low	35.9	Very low	131 Å²	131	156 Å²	156	80%	0.804	81%	0.813	S	S	*	*				161.8	107.3	123	30.4	0	0	0	0	111.1
416	L	34.7	Very low	37.3	Very low	176 Å²	176	158.9 Å²	158.9	92%	0.921	81%	0.81	S	S	*	*				-172.4	100	126.7	-123.8	89.3	0	0	0	111
417	R	31.8	Very low	39.4	Very low	231 Å²	231	155.1 Å²	155.1	87%	0.872	78%	0.784	S	S	*	*			trans	-66.9	141.2	161.7	-79.4	172.2	163.9	171	-4.7	110.5
418	K	33.9	Very low	41.5	Very low	198 Å²	198	150.6 Å²	150.6	86%	0.861	76%	0.764	S	S	*	*				-173.6	147.6	123.1	-99.9	167.3	-175.8	-177.8	0	110.9
419	T	36	Very low	43.7	Very low	149 Å²	149	148.4 Å²	148.4	91%	0.914	76%	0.756	S	S	*	*	S	Bend	trans	71.6	120.6	-178.5	75	0	0	0	0	116.9
420	G	33	Very low	46.1	Very low	76 Å²	76	140 Å²	140	78%	0.784	73%	0.732	S	S	*	*			cis	-153.6	134.3	-6.1	0	0	0	0	0	111
421	Q	36.3	Very low	48.6	Very low	199 Å²	199	140.9 Å²	140.9	93%	0.93	73%	0.729	S	S	*	*			trans	-89.6	115	170.4	-98	-176.3	-48.4	0	0	109.1
422	V	49.9	Very low	50.8	Low	101 Å²	101	138.7 Å²	138.7	61%	0.612	72%	0.715	S	S	*	*			trans	-78.3	124.8	167.9	179.5	0	0	0	0	108.6	W424	V422-W424 VanDerWaalsContact O-CD1 3.29Å; V422-W424 PolarHBondContact O-N 3.38Å
423	K	44.9	Very low	53.5	Low	164 Å²	164	136.1 Å²	136.1	71%	0.713	70%	0.701	S	S	*	*			trans	-73.4	103.9	-179.9	-125.3	179.2	177.6	-175.8	0	110.1	E425	K423-E425 VanDerWaalsContact C-N 3.26Å; K423-E425 PolarHBondContact O-N 3.11Å
424	W	59.4	Low	56	Low	179 Å²	179	136.1 Å²	136.1	68%	0.678	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-71.7	-12	-177.9	-70.6	98.6	0	0	0	115.1	V422 K426 Y427	V422-W424 VanDerWaalsContact O-CD1 3.29Å; V422-W424 PolarHBondContact O-N 3.38Å; W424-K426 PolarHBondContact O-N 3Å; W424-K426 VanDerWaalsContact O-N 3.12Å; W424-Y427 HydrophobicContact CE3-CD2 4.47Å; W424-Y427 PolarHBondContact O-N 3.24Å
425	E	60.4	Low	58.7	Low	143 Å²	143	130 Å²	130	67%	0.668	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-63.1	-21.3	-173.3	-63.7	175.3	154.6	0	0	114.3	K423 T428	K423-E425 VanDerWaalsContact C-N 3.26Å; K423-E425 PolarHBondContact O-N 3.11Å; E425-T428 PolarHBondContact O-OG1 3.35Å
426	K	59	Low	61.4	Low	180 Å²	180	127 Å²	127	78%	0.783	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-81.9	-20.1	175.2	-69.2	-172.1	177.5	-176	0	113.6	W424	W424-K426 PolarHBondContact O-N 3Å; W424-K426 VanDerWaalsContact O-N 3.12Å
427	Y	70.5	Confident	64.2	Low	96 Å²	96	123.6 Å²	123.6	38%	0.376	63%	0.629	S	S	.	*	H	α-helix	trans	-94.8	-20.7	-174.6	-65.9	-74.9	0	0	0	113.5	W424 M429 T430 I431	W424-Y427 HydrophobicContact CE3-CD2 4.47Å; W424-Y427 PolarHBondContact O-N 3.24Å; Y427-M429 PolarHBondContact O-N 3.15Å; Y427-T430 VanDerWaalsContact CA-OG1 3.31Å; Y427-T430 WeakPolarHBondContact CA-OG1 3.44Å; Y427-T430 PolarHBondContact O-N 3.01Å; Y427-T430 PolarHBondContact O-OG1 3.33Å; Y427-I431 WeakPolarHBondContact O-CB 3Å; Y427-I431 WeakPolarHBondContact O-CD1 3.35Å; Y427-I431 WeakPolarHBondContact O-CG1 3.32Å; Y427-I431 PolarHBondContact O-N 2.63Å
428	T	73.2	Confident	67	Low	78 Å²	78	118.1 Å²	118.1	48%	0.479	62%	0.617	S	S	.	*	H	α-helix	trans	-61.4	-45.6	-179.6	48.9	0	0	0	0	111.7	E425 T430 I431 V432	E425-T428 PolarHBondContact O-OG1 3.35Å; T428-T430 PolarHBondContact O-N 2.59Å; T428-I431 PolarHBondContact O-N 3.29Å; T428-V432 WeakPolarHBondContact O-CG2 3.42Å; T428-V432 PolarHBondContact O-N 2.76Å
429	M	75.3	Confident	69.7	Low	133 Å²	133	112.6 Å²	112.6	66%	0.655	60%	0.6	S	S	*	*	H	α-helix	trans	-64.6	-39.8	178.4	-67	-62.1	-77.9	0	0	112.5	Y427 V432 L433	Y427-M429 PolarHBondContact O-N 3.15Å; M429-V432 PolarHBondContact O-N 2.83Å; M429-L433 WeakPolarHBondContact O-CB 3.37Å; M429-L433 WeakPolarHBondContact O-CG 3.42Å; M429-L433 PolarHBondContact O-N 3.17Å
430	T	78.2	Confident	72.3	Confident	70 Å²	70	107.7 Å²	107.7	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-37.2	175.1	40.3	0	0	0	0	112.5	Y427 T428 L433 C434	Y427-T430 VanDerWaalsContact CA-OG1 3.31Å; Y427-T430 WeakPolarHBondContact CA-OG1 3.44Å; Y427-T430 PolarHBondContact O-N 3.01Å; Y427-T430 PolarHBondContact O-OG1 3.33Å; T428-T430 PolarHBondContact O-N 2.59Å; T430-L433 PolarHBondContact O-N 2.86Å; T430-C434 WeakPolarHBondContact O-CB 3.36Å; T430-C434 PolarHBondContact O-N 2.98Å; T430-C434 PolarHBondContact O-SG 3.42Å
431	I	82	Confident	75.2	Confident	107 Å²	107	107.9 Å²	107.9	55%	0.549	56%	0.56	S	S	.	*	H	α-helix	trans	-67.3	-42.9	177.5	-69.6	164.8	0	0	0	110.3	Y427 T428 C434 S435	Y427-I431 WeakPolarHBondContact O-CB 3Å; Y427-I431 WeakPolarHBondContact O-CD1 3.35Å; Y427-I431 WeakPolarHBondContact O-CG1 3.32Å; Y427-I431 PolarHBondContact O-N 2.63Å; T428-I431 PolarHBondContact O-N 3.29Å; I431-C434 PolarHBondContact O-N 3.04Å; I431-S435 WeakPolarHBondContact O-CB 3.42Å; I431-S435 PolarHBondContact O-N 3.3Å; I431-S435 PolarHBondContact O-OG 2.74Å
432	V	83.7	Confident	77.8	Confident	83 Å²	83	102.6 Å²	102.6	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-47.9	175.9	174.7	0	0	0	0	110.3	T428 M429 C434 S435 T436	T428-V432 WeakPolarHBondContact O-CG2 3.42Å; T428-V432 PolarHBondContact O-N 2.76Å; M429-V432 PolarHBondContact O-N 2.83Å; V432-C434 PolarHBondContact O-N 3.4Å; V432-S435 PolarHBondContact O-N 3.34Å; V432-S435 PolarHBondContact O-OG 3.37Å; V432-T436 WeakPolarHBondContact O-CG2 3.5Å; V432-T436 PolarHBondContact O-N 2.78Å; V432-T436 PolarHBondContact O-OG1 3.36Å
433	L	84.8	Confident	79.9	Confident	100 Å²	100	102.7 Å²	102.7	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-58.3	-49.3	176.6	-79.7	163.4	0	0	0	112.2	M429 T430 S435 T436 I437	M429-L433 WeakPolarHBondContact O-CB 3.37Å; M429-L433 WeakPolarHBondContact O-CG 3.42Å; M429-L433 PolarHBondContact O-N 3.17Å; T430-L433 PolarHBondContact O-N 2.86Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 2.98Å; L433-T436 PolarHBondContact O-N 3.27Å; L433-T436 PolarHBondContact O-OG1 2.79Å; L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 2.92Å
434	C	86.4	Confident	82.1	Confident	76 Å²	76	100.3 Å²	100.3	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.3	-71.2	0	0	0	0	112.3	T430 I431 V432 I437 L438	T430-C434 WeakPolarHBondContact O-CB 3.36Å; T430-C434 PolarHBondContact O-N 2.98Å; T430-C434 PolarHBondContact O-SG 3.42Å; I431-C434 PolarHBondContact O-N 3.04Å; V432-C434 PolarHBondContact O-N 3.4Å; C434-I437 PolarHBondContact O-N 3.17Å; C434-L438 WeakPolarHBondContact O-CB 3.45Å; C434-L438 PolarHBondContact O-N 2.98Å
435	S	86.8	Confident	83.5	Confident	59 Å²	59	95.1 Å²	95.1	41%	0.413	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-41.8	177.6	74.6	0	0	0	0	112.1	I431 V432 L433 L438 T439	I431-S435 WeakPolarHBondContact O-CB 3.42Å; I431-S435 PolarHBondContact O-N 3.3Å; I431-S435 PolarHBondContact O-OG 2.74Å; V432-S435 PolarHBondContact O-N 3.34Å; V432-S435 PolarHBondContact O-OG 3.37Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 2.98Å; S435-L438 PolarHBondContact O-N 2.91Å; S435-T439 WeakPolarHBondContact O-CG2 3.49Å; S435-T439 PolarHBondContact O-N 3.07Å; S435-T439 PolarHBondContact O-OG1 3.11Å
436	T	89.2	Confident	84.9	Confident	69 Å²	69	90.7 Å²	90.7	42%	0.423	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-40.2	178.1	57.5	0	0	0	0	112.1	V432 L433 T439 A440	V432-T436 WeakPolarHBondContact O-CG2 3.5Å; V432-T436 PolarHBondContact O-N 2.78Å; V432-T436 PolarHBondContact O-OG1 3.36Å; L433-T436 PolarHBondContact O-N 3.27Å; L433-T436 PolarHBondContact O-OG1 2.79Å; T436-T439 WeakPolarHBondContact CA-OG1 3.49Å; T436-T439 PolarHBondContact O-N 3.33Å; T436-T439 PolarHBondContact O-OG1 3.26Å; T436-A440 PolarHBondContact O-N 3.01Å
437	I	92.6	Very high	86.4	Confident	104 Å²	104	86.1 Å²	86.1	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-44.5	176.7	-65.7	166.4	0	0	0	110.4	L433 C434 T439 A440 V441	L433-I437 WeakPolarHBondContact O-CG1 3.47Å; L433-I437 PolarHBondContact O-N 2.92Å; C434-I437 PolarHBondContact O-N 3.17Å; I437-T439 PolarHBondContact O-N 3.03Å; I437-A440 PolarHBondContact O-N 2.73Å; I437-V441 HydrophobicContact CG2-CG2 4.44Å; I437-V441 WeakPolarHBondContact O-CG2 3.41Å; I437-V441 PolarHBondContact O-N 2.84Å
438	L	90.7	Very high	87.3	Confident	116 Å²	116	88.1 Å²	88.1	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-59.5	-44.8	176.2	-107.5	149.1	0	0	0	112	C434 S435 A440 V441 V442	C434-L438 WeakPolarHBondContact O-CB 3.45Å; C434-L438 PolarHBondContact O-N 2.98Å; S435-L438 PolarHBondContact O-N 2.91Å; L438-A440 VanDerWaalsContact C-N 3.33Å; L438-A440 PolarHBondContact O-N 3.03Å; L438-V441 PolarHBondContact O-N 3.4Å; L438-V442 WeakPolarHBondContact O-CG2 3.39Å; L438-V442 PolarHBondContact O-N 3.02Å
439	T	91.1	Very high	88	Confident	83 Å²	83	89.4 Å²	89.4	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-38.3	176.5	55.8	0	0	0	0	112.4	S435 T436 I437 V442 I443	S435-T439 WeakPolarHBondContact O-CG2 3.49Å; S435-T439 PolarHBondContact O-N 3.07Å; S435-T439 PolarHBondContact O-OG1 3.11Å; T436-T439 WeakPolarHBondContact CA-OG1 3.49Å; T436-T439 PolarHBondContact O-N 3.33Å; T436-T439 PolarHBondContact O-OG1 3.26Å; I437-T439 PolarHBondContact O-N 3.03Å; T439-V442 PolarHBondContact O-N 3.05Å; T439-I443 WeakPolarHBondContact O-CD1 3.17Å; T439-I443 VanDerWaalsContact O-CG1 3.24Å; T439-I443 WeakPolarHBondContact O-CG1 3.35Å; T439-I443 PolarHBondContact O-N 3.46Å
440	A	91.3	Very high	88.5	Confident	45 Å²	45	86.3 Å²	86.3	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-41.7	176.9	0	0	0	0	0	112	T436 I437 L438 I443 L444	T436-A440 PolarHBondContact O-N 3.01Å; I437-A440 PolarHBondContact O-N 2.73Å; L438-A440 VanDerWaalsContact C-N 3.33Å; L438-A440 PolarHBondContact O-N 3.03Å; A440-I443 PolarHBondContact O-N 2.88Å; A440-L444 WeakPolarHBondContact O-CB 3.4Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.42Å; A440-L444 PolarHBondContact O-N 3.33Å
441	V	93.1	Very high	88.8	Confident	81 Å²	81	88.2 Å²	88.2	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-42	176.9	172.7	0	0	0	0	111.3	I437 L438 I443 L444 T445	I437-V441 HydrophobicContact CG2-CG2 4.44Å; I437-V441 WeakPolarHBondContact O-CG2 3.41Å; I437-V441 PolarHBondContact O-N 2.84Å; L438-V441 PolarHBondContact O-N 3.4Å; V441-I443 PolarHBondContact O-N 3.36Å; V441-L444 PolarHBondContact O-N 2.86Å; V441-T445 HydrophobicContact CG1-CG2 4.36Å; V441-T445 WeakPolarHBondContact O-CB 3.49Å; V441-T445 VanDerWaalsContact O-CG2 3.29Å; V441-T445 WeakPolarHBondContact O-CG2 3.39Å; V441-T445 PolarHBondContact O-N 3.04Å; V441-T445 PolarHBondContact O-OG1 3.44Å
442	V	91.6	Very high	88.8	Confident	88 Å²	88	86 Å²	86	53%	0.533	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-41	175.6	174.2	0	0	0	0	111.4	L438 T439 T445 A446	L438-V442 WeakPolarHBondContact O-CG2 3.39Å; L438-V442 PolarHBondContact O-N 3.02Å; T439-V442 PolarHBondContact O-N 3.05Å; V442-T445 WeakPolarHBondContact CA-OG1 3.33Å; V442-T445 PolarHBondContact O-OG1 2.96Å; V442-A446 WeakPolarHBondContact O-CB 3.23Å; V442-A446 PolarHBondContact O-N 3.47Å
443	I	93.1	Very high	88.6	Confident	102 Å²	102	85.3 Å²	85.3	52%	0.523	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-44.4	176.7	-67.9	165.2	0	0	0	111.1	T439 A440 V441 A446 I447	T439-I443 WeakPolarHBondContact O-CD1 3.17Å; T439-I443 VanDerWaalsContact O-CG1 3.24Å; T439-I443 WeakPolarHBondContact O-CG1 3.35Å; T439-I443 PolarHBondContact O-N 3.46Å; A440-I443 PolarHBondContact O-N 2.88Å; V441-I443 PolarHBondContact O-N 3.36Å; I443-A446 PolarHBondContact O-N 2.9Å; I443-I447 HydrophobicContact CG2-CD1 3.83Å; I443-I447 HydrophobicContact CG2-CG1 4.48Å; I443-I447 VanDerWaalsContact O-CG1 3.29Å; I443-I447 WeakPolarHBondContact O-CG1 3.33Å; I443-I447 PolarHBondContact O-N 2.95Å
444	L	91.9	Very high	88.2	Confident	115 Å²	115	88.8 Å²	88.8	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-65.8	-41.1	-179.8	-72.5	172.6	0	0	0	112.3	A440 V441 I447 Y448	A440-L444 WeakPolarHBondContact O-CB 3.4Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.42Å; A440-L444 PolarHBondContact O-N 3.33Å; V441-L444 PolarHBondContact O-N 2.86Å; L444-I447 PolarHBondContact O-N 3.45Å; L444-Y448 WeakPolarHBondContact O-CB 3.15Å; L444-Y448 PolarHBondContact O-N 3.25Å
445	T	88.9	Confident	87.6	Confident	69 Å²	69	89.4 Å²	89.4	42%	0.423	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-40.6	174.6	50.8	0	0	0	0	111.8	V441 V442 Y448 I449	V441-T445 HydrophobicContact CG1-CG2 4.36Å; V441-T445 WeakPolarHBondContact O-CB 3.49Å; V441-T445 VanDerWaalsContact O-CG2 3.29Å; V441-T445 WeakPolarHBondContact O-CG2 3.39Å; V441-T445 PolarHBondContact O-N 3.04Å; V441-T445 PolarHBondContact O-OG1 3.44Å; V442-T445 WeakPolarHBondContact CA-OG1 3.33Å; V442-T445 PolarHBondContact O-OG1 2.96Å; T445-Y448 PolarHBondContact O-N 3.04Å; T445-I449 VanDerWaalsContact O-CG1 3.26Å; T445-I449 WeakPolarHBondContact O-CG1 3.41Å; T445-I449 PolarHBondContact O-N 3.47Å
446	A	89.4	Confident	86.4	Confident	51 Å²	51	93.6 Å²	93.6	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-42.9	173.6	0	0	0	0	0	112.2	V442 I443 I449 V450	V442-A446 WeakPolarHBondContact O-CB 3.23Å; V442-A446 PolarHBondContact O-N 3.47Å; I443-A446 PolarHBondContact O-N 2.9Å; A446-I449 PolarHBondContact O-N 3.26Å; A446-V450 VanDerWaalsContact O-CG2 3.28Å; A446-V450 WeakPolarHBondContact O-CG2 3.3Å; A446-V450 PolarHBondContact O-N 3.19Å
447	I	91.2	Very high	84.9	Confident	83 Å²	83	100.1 Å²	100.1	43%	0.426	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-43.7	175.2	-68	166.8	0	0	0	110.8	I443 L444 V450 Q451	I443-I447 HydrophobicContact CG2-CD1 3.83Å; I443-I447 HydrophobicContact CG2-CG1 4.48Å; I443-I447 VanDerWaalsContact O-CG1 3.29Å; I443-I447 WeakPolarHBondContact O-CG1 3.33Å; I443-I447 PolarHBondContact O-N 2.95Å; L444-I447 PolarHBondContact O-N 3.45Å; I447-V450 PolarHBondContact O-N 3.26Å; I447-Q451 HydrophobicContact CG2-CG 4.45Å; I447-Q451 WeakPolarHBondContact O-CG 3.33Å; I447-Q451 PolarHBondContact O-N 3.27Å
448	Y	88	Confident	82.7	Confident	139 Å²	139	102.7 Å²	102.7	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-44.8	179.1	-176.2	-106.2	0	0	0	111.9	L444 T445 V450 Q451 I452	L444-Y448 WeakPolarHBondContact O-CB 3.15Å; L444-Y448 PolarHBondContact O-N 3.25Å; T445-Y448 PolarHBondContact O-N 3.04Å; Y448-V450 VanDerWaalsContact C-N 3.35Å; Y448-V450 PolarHBondContact O-N 3.23Å; Y448-Q451 PolarHBondContact O-N 3.16Å; Y448-I452 HydrophobicContact CD1-CD1 3.75Å; Y448-I452 HydrophobicContact CE1-CD1 3.25Å; Y448-I452 HydrophobicContact CE1-CG1 4.29Å; Y448-I452 HydrophobicContact CE2-CD1 4.38Å; Y448-I452 HydrophobicContact CG-CD1 4.49Å; Y448-I452 PolarHBondContact O-N 3.05Å
449	I	88.6	Confident	80.7	Confident	104 Å²	104	100.9 Å²	100.9	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-60.6	-44.2	174.5	-67.4	166	0	0	0	110.7	T445 A446 Q451 I452 C453	T445-I449 VanDerWaalsContact O-CG1 3.26Å; T445-I449 WeakPolarHBondContact O-CG1 3.41Å; T445-I449 PolarHBondContact O-N 3.47Å; A446-I449 PolarHBondContact O-N 3.26Å; I449-Q451 VanDerWaalsContact C-N 3.32Å; I449-Q451 PolarHBondContact O-N 3.03Å; I449-I452 PolarHBondContact O-N 3.3Å; I449-C453 PolarHBondContact O-N 3.31Å; I449-C453 PolarHBondContact O-SG 3.31Å
450	V	86.1	Confident	78.4	Confident	68 Å²	68	104.8 Å²	104.8	41%	0.412	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-37.1	176.9	171.6	0	0	0	0	111.7	A446 I447 Y448 C453 R454	A446-V450 VanDerWaalsContact O-CG2 3.28Å; A446-V450 WeakPolarHBondContact O-CG2 3.3Å; A446-V450 PolarHBondContact O-N 3.19Å; I447-V450 PolarHBondContact O-N 3.26Å; Y448-V450 VanDerWaalsContact C-N 3.35Å; Y448-V450 PolarHBondContact O-N 3.23Å; V450-C453 PolarHBondContact O-N 2.92Å; V450-R454 WeakPolarHBondContact O-CB 3.31Å; V450-R454 WeakPolarHBondContact O-CG 3.21Å; V450-R454 PolarHBondContact O-N 3Å
451	Q	83.4	Confident	76.1	Confident	110 Å²	110	106.7 Å²	106.7	51%	0.514	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-44.2	175.2	-75.5	177.7	-12.7	0	0	111.7	I447 Y448 I449 C453 R454 T455	I447-Q451 HydrophobicContact CG2-CG 4.45Å; I447-Q451 WeakPolarHBondContact O-CG 3.33Å; I447-Q451 PolarHBondContact O-N 3.27Å; Y448-Q451 PolarHBondContact O-N 3.16Å; I449-Q451 VanDerWaalsContact C-N 3.32Å; I449-Q451 PolarHBondContact O-N 3.03Å; Q451-C453 VanDerWaalsContact C-N 3.34Å; Q451-C453 PolarHBondContact O-N 3.2Å; Q451-R454 PolarHBondContact O-N 2.78Å; Q451-R454 VanDerWaalsContact O-N 3.13Å; Q451-T455 WeakPolarHBondContact O-CG2 3.49Å; Q451-T455 PolarHBondContact O-N 3.35Å; Q451-T455 PolarHBondContact O-OG1 3.49Å
452	I	83.1	Confident	73.5	Confident	61 Å²	61	110.5 Å²	110.5	31%	0.313	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-42	174.1	-70.4	172.8	0	0	0	111.3	Y448 I449 R454 T455 K456	Y448-I452 HydrophobicContact CD1-CD1 3.75Å; Y448-I452 HydrophobicContact CE1-CD1 3.25Å; Y448-I452 HydrophobicContact CE1-CG1 4.29Å; Y448-I452 HydrophobicContact CE2-CD1 4.38Å; Y448-I452 HydrophobicContact CG-CD1 4.49Å; Y448-I452 PolarHBondContact O-N 3.05Å; I449-I452 PolarHBondContact O-N 3.3Å; I452-R454 VanDerWaalsContact C-N 3.28Å; I452-R454 PolarHBondContact O-N 2.94Å; I452-T455 WeakPolarHBondContact CA-OG1 3.44Å; I452-T455 PolarHBondContact O-N 2.59Å; I452-T455 PolarHBondContact O-OG1 3.46Å; I452-K456 HydrophobicContact CG2-CD 4.41Å; I452-K456 WeakPolarHBondContact O-CB 3.49Å; I452-K456 PolarHBondContact O-N 2.84Å
453	C	78.4	Confident	71	Confident	69 Å²	69	110.5 Å²	110.5	47%	0.466	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-33	176.2	-69.4	0	0	0	0	112.3	I449 V450 Q451 R457	I449-C453 PolarHBondContact O-N 3.31Å; I449-C453 PolarHBondContact O-SG 3.31Å; V450-C453 PolarHBondContact O-N 2.92Å; Q451-C453 VanDerWaalsContact C-N 3.34Å; Q451-C453 PolarHBondContact O-N 3.2Å; C453-R457 WeakPolarHBondContact O-CB 3.46Å; C453-R457 WeakPolarHBondContact O-CG 3.21Å; C453-R457 PolarHBondContact O-N 3.25Å
454	R	78.1	Confident	68.3	Low	173 Å²	173	112.5 Å²	112.5	65%	0.653	57%	0.569	S	S	*	*	H	α-helix	trans	-74.2	-38.5	175.9	-78.6	178.8	171.4	149.6	-0.7	112.7	V450 Q451 I452 R457 K458	V450-R454 WeakPolarHBondContact O-CB 3.31Å; V450-R454 WeakPolarHBondContact O-CG 3.21Å; V450-R454 PolarHBondContact O-N 3Å; Q451-R454 PolarHBondContact O-N 2.78Å; Q451-R454 VanDerWaalsContact O-N 3.13Å; I452-R454 VanDerWaalsContact C-N 3.28Å; I452-R454 PolarHBondContact O-N 2.94Å; R454-R457 PolarHBondContact O-N 2.9Å; R454-K458 PolarHBondContact O-N 3.16Å
455	T	73	Confident	65.4	Low	89 Å²	89	114.8 Å²	114.8	55%	0.546	58%	0.577	S	S	.	*	H	α-helix	trans	-68.6	-41.1	176.4	53.7	0	0	0	0	111.3	Q451 I452 R457 K458 S459	Q451-T455 WeakPolarHBondContact O-CG2 3.49Å; Q451-T455 PolarHBondContact O-N 3.35Å; Q451-T455 PolarHBondContact O-OG1 3.49Å; I452-T455 WeakPolarHBondContact CA-OG1 3.44Å; I452-T455 PolarHBondContact O-N 2.59Å; I452-T455 PolarHBondContact O-OG1 3.46Å; T455-R457 VanDerWaalsContact C-N 3.28Å; T455-R457 PolarHBondContact O-N 3.47Å; T455-K458 PolarHBondContact O-N 3.38Å; T455-S459 PolarHBondContact O-N 3.46Å; T455-S459 VanDerWaalsContact O-N 3.07Å; T455-S459 PolarHBondContact O-OG 2.94Å
456	K	61.6	Low	62.7	Low	147 Å²	147	121.4 Å²	121.4	64%	0.639	60%	0.6	S	S	*	*	H	α-helix	trans	-65.3	-25.8	172.7	-75	-171.5	174.8	-178.2	0	113.9	I452 S459	I452-K456 HydrophobicContact CG2-CD 4.41Å; I452-K456 WeakPolarHBondContact O-CB 3.49Å; I452-K456 PolarHBondContact O-N 2.84Å; K456-S459 PolarHBondContact O-OG 3.26Å
457	R	56.6	Low	59.9	Low	205 Å²	205	127.4 Å²	127.4	77%	0.774	62%	0.624	S	S	*	*	H	α-helix	trans	-79.8	-30.4	172.5	-80.3	-178.2	179.7	173.5	1.5	113.2	C453 R454 T455	C453-R457 WeakPolarHBondContact O-CB 3.46Å; C453-R457 WeakPolarHBondContact O-CG 3.21Å; C453-R457 PolarHBondContact O-N 3.25Å; R454-R457 PolarHBondContact O-N 2.9Å; T455-R457 VanDerWaalsContact C-N 3.28Å; T455-R457 PolarHBondContact O-N 3.47Å
458	K	48.2	Very low	56.8	Low	158 Å²	158	128 Å²	128	69%	0.687	64%	0.635	S	S	*	*	H	α-helix	trans	-73.7	-39.2	174.6	-82.1	-173.7	172.5	-173.1	0	112.7	R454 T455 K460 S461 E462	R454-K458 PolarHBondContact O-N 3.16Å; T455-K458 PolarHBondContact O-N 3.38Å; K458-K460 VanDerWaalsContact C-N 3.27Å; K458-K460 PolarHBondContact O-N 2.97Å; K458-S461 WeakPolarHBondContact O-CB 3.39Å; K458-S461 PolarHBondContact O-N 2.95Å; K458-S461 VanDerWaalsContact O-N 3.11Å; K458-E462 PolarHBondContact O-N 3.46Å
459	S	47.6	Very low	53.8	Low	78 Å²	78	126.8 Å²	126.8	55%	0.545	65%	0.646	S	S	.	*	H	α-helix	trans	-68.2	-24.5	177	60.9	0	0	0	0	113.8	T455 K456 S461	T455-S459 PolarHBondContact O-N 3.46Å; T455-S459 VanDerWaalsContact O-N 3.07Å; T455-S459 PolarHBondContact O-OG 2.94Å; K456-S459 PolarHBondContact O-OG 3.26Å; S459-S461 VanDerWaalsContact C-N 3.34Å
460	K	42.8	Very low	51.3	Low	166 Å²	166	131.4 Å²	131.4	72%	0.722	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	174.6	-144.1	171.8	-173.3	175.3	0	113.6	K458	K458-K460 VanDerWaalsContact C-N 3.27Å; K458-K460 PolarHBondContact O-N 2.97Å
461	S	42.5	Very low	48.7	Very low	84 Å²	84	132.4 Å²	132.4	59%	0.587	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-20.6	178.5	-178.9	0	0	0	0	113	K458 S459	K458-S461 WeakPolarHBondContact O-CB 3.39Å; K458-S461 PolarHBondContact O-N 2.95Å; K458-S461 VanDerWaalsContact O-N 3.11Å; S459-S461 VanDerWaalsContact C-N 3.34Å
462	E	40	Very low	46.5	Very low	162 Å²	162	133.6 Å²	133.6	76%	0.757	69%	0.685	S	S	*	*	S	Bend	trans	-97.2	-7.9	-176.5	-76.8	175.5	156.2	0	0	113.9	K458	K458-E462 PolarHBondContact O-N 3.46Å
463	S	39	Very low	44.3	Very low	87 Å²	87	137.4 Å²	137.4	61%	0.608	71%	0.706	S	S	*	*	S	Bend	trans	-90.3	-2.2	179	64.2	0	0	0	0	114.9
464	N	35.4	Very low	42.4	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	72%	0.72	S	S	*	*	S	Bend	trans	-105.5	12.6	-175.6	-79.2	-15.1	0	0	0	114.1
465	E	32	Very low	40.5	Very low	164 Å²	164	136.1 Å²	136.1	77%	0.766	72%	0.722	S	S	*	*	S	Bend	trans	-142.3	71	-173.2	-156.4	177	-176.9	0	0	110.9
466	K	32.1	Very low	38.6	Very low	208 Å²	208	139.6 Å²	139.6	90%	0.904	73%	0.731	S	S	*	*			trans	171.6	104.3	154.9	-96.4	155.1	-172.5	-179.8	0	111.1
467	L	30.3	Very low	37.4	Very low	177 Å²	177	139.4 Å²	139.4	93%	0.927	74%	0.736	S	S	*	*				150.1	117.4	113.8	-159.9	66.9	0	0	0	111.5
468	S	25.7	Very low	36.4	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	73%	0.728	S	S	*	*			trans	-105	152.2	-177.4	58.2	0	0	0	0	112.2
469	C	24.5	Very low	35.7	Very low	115 Å²	115	137.2 Å²	137.2	78%	0.777	73%	0.729	S	S	*	*			trans	73.6	117.5	152.9	-55.6	0	0	0	0	119.2
470	Q	36.4	Very low	35.2	Very low	200 Å²	200	142.1 Å²	142.1	94%	0.935	74%	0.741	S	S	*	*				-175	161.3	113.1	-98.2	170.4	-3.3	0	0	111.8
471	S	32.7	Very low	34.8	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	75%	0.746	S	S	*	*			trans	-116.8	-179.8	-141.3	46.5	0	0	0	0	114.9
472	D	36.2	Very low	34.5	Very low	135 Å²	135	146 Å²	146	72%	0.722	75%	0.753	S	S	*	*			trans	89.6	135.9	155.5	-48.5	-34.5	0	0	0	116.7
473	D	36.9	Very low	34.1	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	74%	0.744	S	S	*	*			cis	-167.3	157	5.1	-123.3	-30.2	0	0	0	112.4
474	S	39.6	Very low	34.1	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	75%	0.751	S	S	*	*			trans	94.9	142.3	149.6	-76.9	0	0	0	0	125.1
475	P	37.2	Very low	34.1	Very low	107 Å²	107	145 Å²	145	70%	0.695	75%	0.747	S	S	*	*			trans	-139.6	-171.9	-134.6	33.6	-8.4	0	0	0	117.7
476	H	33.3	Very low	34.1	Very low	161 Å²	161	144 Å²	144	75%	0.745	75%	0.747	S	S	*	*			trans	81.9	129.2	165.2	-83.8	-84.1	0	0	0	117.6
477	L	36.7	Very low	34.2	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	74%	0.741	S	S	*	*			cis	-160.4	133.6	48.8	-165	79.9	0	0	0	113.2
478	E	34.7	Very low	34.2	Very low	128 Å²	128	140 Å²	140	60%	0.598	74%	0.736	S	S	*	*			trans	16.1	143.8	151.1	-51	-170.7	145.8	0	0	121.5
479	R	35.2	Very low	34.5	Very low	190 Å²	190	141.5 Å²	141.5	72%	0.717	75%	0.746	S	S	*	*				-178.9	134.1	55.9	-167.9	167.8	-79.3	171.2	-3.6	114.5
480	K	36.9	Very low	34.8	Very low	180 Å²	180	139.9 Å²	139.9	78%	0.783	75%	0.748	S	S	*	*			trans	72.9	111.3	153.2	-76.1	171.1	-178.3	-178.2	0	120.2
481	K	33.7	Very low	34.5	Very low	191 Å²	191	135.4 Å²	135.4	83%	0.83	74%	0.739	S	S	*	*				71	130.9	65.4	-80.9	-174.9	170.2	-175.9	0	112.7
482	L	36	Very low	34.7	Very low	142 Å²	142	140.1 Å²	140.1	74%	0.743	75%	0.752	S	S	*	*			cis	-170.8	125.1	39.2	-137.4	92.2	0	0	0	108.9
483	S	32.6	Very low	34.4	Very low	80 Å²	80	143.1 Å²	143.1	56%	0.559	76%	0.761	S	S	*	*				59.2	122.4	106.3	77.6	0	0	0	0	120.8
484	H	38.3	Very low	34.2	Very low	162 Å²	162	141.5 Å²	141.5	75%	0.75	76%	0.761	S	S	*	*				-177.6	126.5	105.2	-105.7	-36.8	0	0	0	116
485	N	36	Very low	33.6	Very low	128 Å²	128	142.4 Å²	142.4	68%	0.684	77%	0.768	S	S	*	*			trans	77.1	98.3	134.3	-64.8	-4	0	0	0	124.2
486	N	30.4	Very low	33.4	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	77%	0.767	S	S	*	*				-0.3	134.9	126.7	-63.4	-15.3	0	0	0	119.7
487	N	35	Very low	33.3	Very low	148 Å²	148	139 Å²	139	79%	0.791	76%	0.759	S	S	*	*				-173.7	126.6	106	-92.2	-21.4	0	0	0	114.6
488	L	29.6	Very low	32.8	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	76%	0.76	S	S	*	*			trans	35.2	121.2	143.3	-85.3	72.3	0	0	0	120.9
489	S	33.3	Very low	33	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	77%	0.766	S	S	*	*				155.8	142.7	97.4	52.5	0	0	0	0	113.4
490	G	31.2	Very low	32.9	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	75%	0.754	S	S	*	*			trans	107.5	81.9	148.2	0	0	0	0	0	119
491	S	28.8	Very low	32.9	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	76%	0.756	S	S	*	*			trans	-43.5	136.6	162.1	172.1	0	0	0	0	115.5
492	Q	36.7	Very low	32.9	Very low	188 Å²	188	129 Å²	129	88%	0.879	75%	0.747	S	S	*	*				-171.6	116.9	114.6	-99.2	174.7	68.8	0	0	112.6
493	Q	29.6	Very low	33.2	Very low	197 Å²	197	126.6 Å²	126.6	92%	0.921	74%	0.74	S	S	*	*			trans	-71	124.3	173.7	-71.9	164	-20.9	0	0	110.7
494	S	33.7	Very low	33.6	Very low	109 Å²	109	126 Å²	126	76%	0.762	73%	0.73	S	S	*	*			trans	-125.2	122.5	151.8	59.9	0	0	0	0	108.1	V496	S494-V496 PolarHBondContact O-N 2.91Å
495	S	27.3	Very low	33.9	Very low	127 Å²	127	124.5 Å²	124.5	89%	0.888	73%	0.734	S	S	*	*			trans	-85.9	108.5	-171.8	14.2	0	0	0	0	108.7
496	V	32.9	Very low	34.6	Very low	114 Å²	114	120 Å²	120	69%	0.691	71%	0.713	S	S	*	*			trans	-113.9	120.6	164.1	-168.2	0	0	0	0	106.8	S494 S498	S494-V496 PolarHBondContact O-N 2.91Å; V496-S498 PolarHBondContact O-N 2.84Å
497	S	30.9	Very low	35.9	Very low	82 Å²	82	117.6 Å²	117.6	57%	0.573	71%	0.707	S	S	*	*			trans	-48.1	128	179.2	46.5	0	0	0	0	111.9	W499	S497-W499 VanDerWaalsContact O-CD1 3.28Å; S497-W499 PolarHBondContact O-N 3.18Å
498	S	27.3	Very low	37.5	Very low	109 Å²	109	111.4 Å²	111.4	76%	0.762	67%	0.674	S	S	*	*			trans	-51.3	105.2	167	151.9	0	0	0	0	110.4	V496 S500	V496-S498 PolarHBondContact O-N 2.84Å; S498-S500 PolarHBondContact O-N 3.48Å
499	W	38.9	Very low	39.5	Very low	190 Å²	190	107.4 Å²	107.4	72%	0.72	65%	0.653	S	S	*	*			trans	-79.8	91.8	166.6	-64.1	96.1	0	0	0	107.9	S497	S497-W499 VanDerWaalsContact O-CD1 3.28Å; S497-W499 PolarHBondContact O-N 3.18Å
500	S	31.2	Very low	41.7	Very low	67 Å²	67	105.4 Å²	105.4	47%	0.469	64%	0.636	S	S	.	*			trans	-58.8	139	166.6	36.1	0	0	0	0	109.5	S498 E502	S498-S500 PolarHBondContact O-N 3.48Å; S500-E502 PolarHBondContact O-N 3.13Å
501	S	38.6	Very low	43.9	Very low	119 Å²	119	105.7 Å²	105.7	83%	0.832	62%	0.623	S	S	*	*			trans	-70.6	63.4	173.3	41.2	0	0	0	0	111
502	E	33.5	Very low	46.2	Very low	137 Å²	137	101.6 Å²	101.6	64%	0.64	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-78.8	134.5	174	-82.5	177	165.9	0	0	110.9	S500 R724	S500-E502 PolarHBondContact O-N 3.13Å; E502-R724 PolarHBondContact O-NH2 3.45Å
503	P	41.2	Very low	48.4	Very low	91 Å²	91	92.6 Å²	92.6	59%	0.591	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-64.2	142.2	175.9	24.5	-30.1	0	0	0	110.6	P505	P503-P505 WeakPolarHBondContact O-CD 3.41Å
504	I	42.2	Very low	51	Low	69 Å²	69	88.2 Å²	88.2	35%	0.354	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-66.7	123.4	178.5	-59.4	169.4	0	0	0	107.7	C506 R720	I504-C506 PolarHBondContact O-N 3.42Å; I504-R720 HydrophobicContact CD1-CG 4.02Å
505	P	43.4	Very low	53.4	Low	129 Å²	129	88.3 Å²	88.3	84%	0.838	52%	0.521	S	S	*	.			trans	-65.6	99.1	171	23.9	-29	0	0	0	108.6	P503	P503-P505 WeakPolarHBondContact O-CD 3.41Å
506	C	50.9	Low	56.1	Low	35 Å²	35	82.7 Å²	82.7	24%	0.236	48%	0.481	C	S	.	.			trans	-84.1	130	177.7	-74.6	0	0	0	0	110	I504 I508 M801	I504-C506 PolarHBondContact O-N 3.42Å; C506-I508 HydrophobicContact CB-CG2 4.16Å; C506-I508 PolarHBondContact O-N 2.94Å; C506-M801 HydrophobicContact CB-CG 4.37Å; C506-M801 HydrophobicContact CB-SD 4.47Å; C506-M801 VanDerWaalsContact SG-SD 3.64Å
507	S	57.8	Low	58.7	Low	93 Å²	93	77.7 Å²	77.7	65%	0.65	45%	0.451	S	S	*	.			trans	-85.9	29.9	168.8	67.2	0	0	0	0	112	D509 T758	S507-D509 PolarHBondContact O-N 3.41Å; S507-T758 PolarHBondContact OG-O 3.38Å
508	I	68.7	Low	61.3	Low	18 Å²	18	76.9 Å²	76.9	9%	0.092	45%	0.445	C	S	.	.			trans	-72.2	129.7	168.3	-171.8	147.6	0	0	0	107.7	C506 V510 I516 I757	C506-I508 HydrophobicContact CB-CG2 4.16Å; C506-I508 PolarHBondContact O-N 2.94Å; I508-V510 PolarHBondContact O-N 2.95Å; I508-I516 HydrophobicContact CD1-CD1 4.17Å; I508-I757 HydrophobicContact CD1-CG2 3.61Å
509	D	71.6	Confident	64.1	Low	69 Å²	69	76 Å²	76	37%	0.369	43%	0.426	S	S	.	.			trans	-69	126	167.8	65.7	102.6	0	0	0	108.5	S507 P511 T512 G513	S507-D509 PolarHBondContact O-N 3.41Å; D509-P511 VanDerWaalsContact C-N 3.26Å; D509-P511 VanDerWaalsContact O-N 3.15Å; D509-T512 PolarHBondContact O-N 2.88Å; D509-T512 WeakPolarHBondContact OD1-CB 3.5Å; D509-T512 PolarHBondContact OD1-N 3.43Å; D509-T512 PolarHBondContact OD1-OG1 3.26Å; D509-T512 WeakPolarHBondContact OD2-CB 3.39Å; D509-T512 PolarHBondContact OD2-OG1 3.25Å; D509-G513 PolarHBondContact O-N 3.36Å
510	V	78.6	Confident	66.3	Low	84 Å²	84	67 Å²	67	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-47.4	-42.8	-176.3	174.8	0	0	0	0	112.8	I508 G513 H514 L802	I508-V510 PolarHBondContact O-N 2.95Å; V510-G513 PolarHBondContact O-N 3.09Å; V510-H514 PolarHBondContact O-CD2 3.17Å; V510-H514 VanDerWaalsContact O-CD2 3.31Å; V510-H514 PolarHBondContact O-N 2.89Å; V510-L802 HydrophobicContact CB-CD2 4.44Å; V510-L802 HydrophobicContact CG1-CD2 4.18Å
511	P	78.5	Confident	69.1	Low	86 Å²	86	68.1 Å²	68.1	56%	0.558	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-45.8	175.8	-23.4	35.6	0	0	0	113.6	D509 G513 H514 I515	D509-P511 VanDerWaalsContact C-N 3.26Å; D509-P511 VanDerWaalsContact O-N 3.15Å; P511-G513 VanDerWaalsContact C-N 3.31Å; P511-G513 PolarHBondContact O-N 3.39Å; P511-H514 PolarHBondContact O-N 3.33Å; P511-I515 WeakPolarHBondContact O-CG1 3.49Å; P511-I515 PolarHBondContact O-N 3.49Å
512	T	76.2	Confident	71.3	Confident	20 Å²	20	69.3 Å²	69.3	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-39.8	176.3	-64.5	0	0	0	0	111.3	D509 H514 I515 I516	D509-T512 PolarHBondContact O-N 2.88Å; D509-T512 WeakPolarHBondContact OD1-CB 3.5Å; D509-T512 PolarHBondContact OD1-N 3.43Å; D509-T512 PolarHBondContact OD1-OG1 3.26Å; D509-T512 WeakPolarHBondContact OD2-CB 3.39Å; D509-T512 PolarHBondContact OD2-OG1 3.25Å; T512-H514 PolarHBondContact O-N 2.68Å; T512-I515 PolarHBondContact O-N 3.3Å; T512-I516 HydrophobicContact CG2-CD1 3.72Å; T512-I516 HydrophobicContact CG2-CG1 4.28Å; T512-I516 VanDerWaalsContact O-CG1 3.3Å; T512-I516 WeakPolarHBondContact O-CG1 3.38Å; T512-I516 PolarHBondContact O-N 2.73Å
513	G	83.2	Confident	73.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.1	0	0	0	0	0	112.7	D509 V510 P511 I515 I516 L517	D509-G513 PolarHBondContact O-N 3.36Å; V510-G513 PolarHBondContact O-N 3.09Å; P511-G513 VanDerWaalsContact C-N 3.31Å; P511-G513 PolarHBondContact O-N 3.39Å; G513-I515 PolarHBondContact O-N 3.28Å; G513-I516 PolarHBondContact O-N 2.72Å; G513-L517 WeakPolarHBondContact O-CB 3.28Å; G513-L517 PolarHBondContact O-N 2.97Å
514	H	85.6	Confident	76	Confident	104 Å²	104	61.6 Å²	61.6	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-36.8	175.6	-78.8	-62.9	0	0	0	113.2	V510 P511 T512 S518	V510-H514 PolarHBondContact O-CD2 3.17Å; V510-H514 VanDerWaalsContact O-CD2 3.31Å; V510-H514 PolarHBondContact O-N 2.89Å; P511-H514 PolarHBondContact O-N 3.33Å; T512-H514 PolarHBondContact O-N 2.68Å; H514-S518 WeakPolarHBondContact O-CB 3.36Å; H514-S518 PolarHBondContact O-N 3.2Å; H514-S518 PolarHBondContact O-OG 2.81Å
515	I	83.1	Confident	78.3	Confident	111 Å²	111	65.9 Å²	65.9	57%	0.569	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-50.7	175.4	-68.3	166.2	0	0	0	110	P511 T512 G513 L517 S518 Y519	P511-I515 WeakPolarHBondContact O-CG1 3.49Å; P511-I515 PolarHBondContact O-N 3.49Å; T512-I515 PolarHBondContact O-N 3.3Å; G513-I515 PolarHBondContact O-N 3.28Å; I515-L517 VanDerWaalsContact C-N 3.34Å; I515-L517 PolarHBondContact O-N 3.26Å; I515-S518 PolarHBondContact O-N 3.44Å; I515-S518 PolarHBondContact O-OG 3.24Å; I515-Y519 WeakPolarHBondContact O-CB 3.38Å; I515-Y519 PolarHBondContact O-N 3.5Å
516	I	83.3	Confident	80.5	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.046	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-46.9	178.9	-68.9	171.2	0	0	0	110.4	I508 T512 G513 Y519 M520 I764 V798	I508-I516 HydrophobicContact CD1-CD1 4.17Å; T512-I516 HydrophobicContact CG2-CD1 3.72Å; T512-I516 HydrophobicContact CG2-CG1 4.28Å; T512-I516 VanDerWaalsContact O-CG1 3.3Å; T512-I516 WeakPolarHBondContact O-CG1 3.38Å; T512-I516 PolarHBondContact O-N 2.73Å; G513-I516 PolarHBondContact O-N 2.72Å; I516-Y519 WeakPolarHBondContact O-CB 2.98Å; I516-Y519 PolarHBondContact O-N 3.16Å; I516-M520 HydrophobicContact CG2-CE 3.38Å; I516-M520 HydrophobicContact CG2-SD 4.04Å; I516-M520 WeakPolarHBondContact O-CG 3.31Å; I516-M520 PolarHBondContact O-N 3.17Å; I516-I764 HydrophobicContact CD1-CD1 3.92Å; I516-I764 HydrophobicContact CD1-CG1 4.29Å; I516-V798 HydrophobicContact CG2-CG2 4.32Å
517	L	87.9	Confident	82.4	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-49.3	178.6	-176.5	59.9	0	0	0	111.3	G513 I515 Y519 M520 E521 A795 V798 D799 L802	G513-L517 WeakPolarHBondContact O-CB 3.28Å; G513-L517 PolarHBondContact O-N 2.97Å; I515-L517 VanDerWaalsContact C-N 3.34Å; I515-L517 PolarHBondContact O-N 3.26Å; L517-Y519 VanDerWaalsContact C-N 3.25Å; L517-Y519 PolarHBondContact O-N 2.85Å; L517-M520 PolarHBondContact O-N 2.8Å; L517-M520 VanDerWaalsContact O-N 3.11Å; L517-E521 HydrophobicContact CD1-CG 4.13Å; L517-E521 HydrophobicContact CG-CG 4.3Å; L517-E521 WeakPolarHBondContact O-CB 3.49Å; L517-E521 WeakPolarHBondContact O-CG 3.49Å; L517-E521 PolarHBondContact O-N 3.41Å; L517-A795 HydrophobicContact CD1-CB 4Å; L517-A795 WeakPolarHBondContact CD1-O 3.37Å; L517-V798 HydrophobicContact CB-CG1 4.04Å; L517-D799 HydrophobicContact CD1-CB 4.2Å; L517-D799 HydrophobicContact CD2-CB 3.98Å; L517-L802 HydrophobicContact CB-CD1 4.48Å; L517-L802 HydrophobicContact CD2-CD1 4.02Å
518	S	86.1	Confident	83.9	Confident	66 Å²	66	68.4 Å²	68.4	46%	0.462	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-35.2	179.6	77	0	0	0	0	112.9	H514 I515 K522	H514-S518 WeakPolarHBondContact O-CB 3.36Å; H514-S518 PolarHBondContact O-N 3.2Å; H514-S518 PolarHBondContact O-OG 2.81Å; I515-S518 PolarHBondContact O-N 3.44Å; I515-S518 PolarHBondContact O-OG 3.24Å; S518-K522 VanDerWaalsContact O-CB 3.25Å; S518-K522 WeakPolarHBondContact O-CB 3.49Å; S518-K522 PolarHBondContact O-N 2.95Å
519	Y	84.8	Confident	84.7	Confident	91 Å²	91	70.7 Å²	70.7	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-49.5	175.2	172.7	-94.2	0	0	0	110.5	I515 I516 L517 K522 H523	I515-Y519 WeakPolarHBondContact O-CB 3.38Å; I515-Y519 PolarHBondContact O-N 3.5Å; I516-Y519 WeakPolarHBondContact O-CB 2.98Å; I516-Y519 PolarHBondContact O-N 3.16Å; L517-Y519 VanDerWaalsContact C-N 3.25Å; L517-Y519 PolarHBondContact O-N 2.85Å; Y519-K522 PolarHBondContact O-N 3.19Å; Y519-H523 AromaticContact CD2-CD2 3.94Å; Y519-H523 AromaticContact CD2-NE2 3.91Å; Y519-H523 AromaticContact CE1-CD2 3.99Å; Y519-H523 AromaticContact CE2-CD2 3.59Å; Y519-H523 AromaticContact CE2-NE2 3.17Å; Y519-H523 WeakPolarHBondContact CE2-NE2 2.88Å; Y519-H523 AromaticContact CZ-CD2 3.62Å; Y519-H523 AromaticContact CZ-CE1 3.9Å; Y519-H523 AromaticContact CZ-NE2 3.3Å; Y519-H523 VanDerWaalsContact CZ-NE2 3.3Å; Y519-H523 PolarHBondContact O-CD2 2.92Å; Y519-H523 VanDerWaalsContact O-CD2 3.27Å; Y519-H523 PolarHBondContact O-N 2.89Å; Y519-H523 VanDerWaalsContact O-N 3.09Å; Y519-H523 PolarHBondContact OH-NE2 3.44Å
520	M	86.8	Confident	85.5	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-46.2	179.3	-67.5	174.5	-176.1	0	0	111.8	I516 L517 K522 H523 L524 I757 I766 T794 A795	I516-M520 HydrophobicContact CG2-CE 3.38Å; I516-M520 HydrophobicContact CG2-SD 4.04Å; I516-M520 WeakPolarHBondContact O-CG 3.31Å; I516-M520 PolarHBondContact O-N 3.17Å; L517-M520 PolarHBondContact O-N 2.8Å; L517-M520 VanDerWaalsContact O-N 3.11Å; M520-K522 VanDerWaalsContact C-N 3.31Å; M520-K522 PolarHBondContact O-N 2.8Å; M520-H523 PolarHBondContact O-N 3.47Å; M520-L524 WeakPolarHBondContact O-CB 3.34Å; M520-L524 VanDerWaalsContact O-CG 3.3Å; M520-L524 WeakPolarHBondContact O-CG 3.15Å; M520-L524 PolarHBondContact O-N 2.97Å; M520-I757 HydrophobicContact CE-CD1 4.44Å; M520-I766 HydrophobicContact CE-CD1 3.78Å; M520-T794 HydrophobicContact CE-CG2 3.39Å; M520-T794 HydrophobicContact SD-CG2 3.64Å; M520-A795 HydrophobicContact CB-CB 3.95Å; M520-A795 HydrophobicContact SD-CB 4.25Å
521	E	88.7	Confident	86.2	Confident	89 Å²	89	65.7 Å²	65.7	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-41.9	177.7	-72.3	177.7	157.1	0	0	112	L517 L524 Q525	L517-E521 HydrophobicContact CD1-CG 4.13Å; L517-E521 HydrophobicContact CG-CG 4.3Å; L517-E521 WeakPolarHBondContact O-CB 3.49Å; L517-E521 WeakPolarHBondContact O-CG 3.49Å; L517-E521 PolarHBondContact O-N 3.41Å; E521-L524 PolarHBondContact O-N 3.11Å; E521-Q525 WeakPolarHBondContact O-CB 3.46Å; E521-Q525 VanDerWaalsContact O-CG 3.27Å; E521-Q525 WeakPolarHBondContact O-CG 3.4Å; E521-Q525 PolarHBondContact O-N 2.93Å
522	K	86.4	Confident	86.8	Confident	145 Å²	145	67.4 Å²	67.4	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-61.5	-45.1	175.5	-177.3	-175.2	175.1	-172.2	0	111.9	S518 Y519 M520 L524 Q525 D526	S518-K522 VanDerWaalsContact O-CB 3.25Å; S518-K522 WeakPolarHBondContact O-CB 3.49Å; S518-K522 PolarHBondContact O-N 2.95Å; Y519-K522 PolarHBondContact O-N 3.19Å; M520-K522 VanDerWaalsContact C-N 3.31Å; M520-K522 PolarHBondContact O-N 2.8Å; K522-L524 VanDerWaalsContact C-N 3.31Å; K522-L524 PolarHBondContact O-N 3.5Å; K522-Q525 PolarHBondContact O-N 3.23Å; K522-D526 PolarHBondContact O-N 3.35Å; K522-D526 VanDerWaalsContact O-N 3.12Å
523	H	83.1	Confident	87.3	Confident	29 Å²	29	67.9 Å²	67.9	13%	0.134	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-32.4	177.3	-84.1	-103.7	0	0	0	112.4	Y519 M520 D533	Y519-H523 AromaticContact CD2-CD2 3.94Å; Y519-H523 AromaticContact CD2-NE2 3.91Å; Y519-H523 AromaticContact CE1-CD2 3.99Å; Y519-H523 AromaticContact CE2-CD2 3.59Å; Y519-H523 AromaticContact CE2-NE2 3.17Å; Y519-H523 WeakPolarHBondContact CE2-NE2 2.88Å; Y519-H523 AromaticContact CZ-CD2 3.62Å; Y519-H523 AromaticContact CZ-CE1 3.9Å; Y519-H523 AromaticContact CZ-NE2 3.3Å; Y519-H523 VanDerWaalsContact CZ-NE2 3.3Å; Y519-H523 PolarHBondContact O-CD2 2.92Å; Y519-H523 VanDerWaalsContact O-CD2 3.27Å; Y519-H523 PolarHBondContact O-N 2.89Å; Y519-H523 VanDerWaalsContact O-N 3.09Å; Y519-H523 PolarHBondContact OH-NE2 3.44Å; M520-H523 PolarHBondContact O-N 3.47Å; H523-D533 IonicContact CE1-OD2 2.9Å; H523-D533 PolarHBondContact CE1-OD2 2.83Å; H523-D533 IonicContact ND1-OD2 3.63Å; H523-D533 PolarHBondContact ND1-OD2 3.2Å; H523-D533 VanDerWaalsContact ND1-OD2 3.11Å
524	L	88.7	Confident	87.8	Confident	37 Å²	37	68.8 Å²	68.8	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-33.3	176	-71.4	168.4	0	0	0	112.7	M520 E521 K522 E788 L791 S792 A795	M520-L524 WeakPolarHBondContact O-CB 3.34Å; M520-L524 VanDerWaalsContact O-CG 3.3Å; M520-L524 WeakPolarHBondContact O-CG 3.15Å; M520-L524 PolarHBondContact O-N 2.97Å; E521-L524 PolarHBondContact O-N 3.11Å; K522-L524 VanDerWaalsContact C-N 3.31Å; K522-L524 PolarHBondContact O-N 3.5Å; L524-E788 HydrophobicContact CD2-CG 4.16Å; L524-L791 HydrophobicContact CD2-CB 3.8Å; L524-L791 HydrophobicContact CG-CB 4.38Å; L524-S792 VanDerWaalsContact CD2-OG 3.26Å; L524-S792 WeakPolarHBondContact CD2-OG 3.04Å; L524-A795 HydrophobicContact CD1-CB 4.12Å
525	Q	90.6	Very high	88.2	Confident	159 Å²	159	67.1 Å²	67.1	74%	0.743	33%	0.326	S	S	*	.	H	α-helix	trans	-73.9	-33.4	176.3	-72.4	172.7	10.8	0	0	112.6	E521 K522 R527	E521-Q525 WeakPolarHBondContact O-CB 3.46Å; E521-Q525 VanDerWaalsContact O-CG 3.27Å; E521-Q525 WeakPolarHBondContact O-CG 3.4Å; E521-Q525 PolarHBondContact O-N 2.93Å; K522-Q525 PolarHBondContact O-N 3.23Å; Q525-R527 PolarHBondContact O-N 3.35Å
526	D	90.4	Very high	88.5	Confident	71 Å²	71	65.4 Å²	65.4	38%	0.38	32%	0.324	S	S	.	.			trans	-89.1	85.3	178	-166.9	-19.2	0	0	0	111.8	K522 N528 Q529 L530	K522-D526 PolarHBondContact O-N 3.35Å; K522-D526 VanDerWaalsContact O-N 3.12Å; D526-N528 PolarHBondContact O-N 3.47Å; D526-N528 VanDerWaalsContact O-N 3.17Å; D526-N528 WeakPolarHBondContact OD1-CB 3.38Å; D526-N528 PolarHBondContact OD1-N 2.57Å; D526-N528 VanDerWaalsContact OD1-N 3.11Å; D526-Q529 HydrophobicContact CB-CB 3.87Å; D526-Q529 VanDerWaalsContact CG-CB 3.48Å; D526-Q529 PolarHBondContact O-N 2.99Å; D526-Q529 PolarHBondContact OD1-N 3.09Å; D526-L530 PolarHBondContact O-N 2.91Å
527	R	89.8	Confident	88.8	Confident	118 Å²	118	65 Å²	65	45%	0.445	32%	0.322	S	S	.	.	H	α-helix	trans	-56.4	-30.3	177.3	-68.1	-67.9	-63.5	-173.3	4	113.6	Q525 T531 E788	Q525-R527 PolarHBondContact O-N 3.35Å; R527-T531 WeakPolarHBondContact O-CB 3.5Å; R527-T531 PolarHBondContact O-N 3.28Å; R527-T531 VanDerWaalsContact O-N 3.09Å; R527-T531 PolarHBondContact O-OG1 3.5Å; R527-E788 IonicContact CZ-OE1 3.11Å; R527-E788 IonicContact CZ-OE2 3.57Å; R527-E788 IonicContact NH1-OE1 2.98Å; R527-E788 PolarHBondContact NH1-OE1 3.17Å; R527-E788 IonicContact NH1-OE2 2.92Å; R527-E788 PolarHBondContact NH1-OE2 3Å; R527-E788 IonicContact NH2-OE2 3.5Å
528	N	89.4	Confident	89	Confident	120 Å²	120	68.4 Å²	68.4	64%	0.642	34%	0.34	S	S	*	.	H	α-helix	trans	-72.5	-48.2	178.9	-67.6	-31.8	0	0	0	109.8	D526 L530 T531 E532	D526-N528 PolarHBondContact O-N 3.47Å; D526-N528 VanDerWaalsContact O-N 3.17Å; D526-N528 WeakPolarHBondContact OD1-CB 3.38Å; D526-N528 PolarHBondContact OD1-N 2.57Å; D526-N528 VanDerWaalsContact OD1-N 3.11Å; N528-L530 VanDerWaalsContact C-N 3.34Å; N528-L530 PolarHBondContact O-N 2.79Å; N528-T531 PolarHBondContact O-N 2.91Å; N528-E532 WeakPolarHBondContact O-CB 3.31Å; N528-E532 WeakPolarHBondContact O-CG 3.31Å; N528-E532 PolarHBondContact O-N 3.18Å
529	Q	86.2	Confident	89.2	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-44.9	175.8	-171.7	62.9	61.6	0	0	111.4	D526 T531 E532 D533	D526-Q529 HydrophobicContact CB-CB 3.87Å; D526-Q529 VanDerWaalsContact CG-CB 3.48Å; D526-Q529 PolarHBondContact O-N 2.99Å; D526-Q529 PolarHBondContact OD1-N 3.09Å; Q529-T531 VanDerWaalsContact C-N 3.3Å; Q529-T531 PolarHBondContact O-N 3.19Å; Q529-E532 PolarHBondContact O-N 3.09Å; Q529-E532 VanDerWaalsContact O-N 3.16Å; Q529-D533 PolarHBondContact NE2-OD1 2.94Å; Q529-D533 WeakPolarHBondContact O-CB 3.31Å; Q529-D533 PolarHBondContact O-N 2.88Å
530	L	89	Confident	89.4	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-42.6	176.7	-177.1	68.1	0	0	0	112.1	D526 N528 W534 L784 Y787 E788 L791	D526-L530 PolarHBondContact O-N 2.91Å; N528-L530 VanDerWaalsContact C-N 3.34Å; N528-L530 PolarHBondContact O-N 2.79Å; L530-W534 WeakPolarHBondContact O-CB 3.23Å; L530-W534 PolarHBondContact O-N 3.45Å; L530-L784 HydrophobicContact CD2-CD1 4.4Å; L530-L784 HydrophobicContact CG-CD1 4.03Å; L530-Y787 HydrophobicContact CD1-CD1 3.98Å; L530-Y787 HydrophobicContact CD1-CE1 3.92Å; L530-E788 HydrophobicContact CD2-CB 4.06Å; L530-E788 HydrophobicContact CD2-CG 3.89Å; L530-L791 HydrophobicContact CD1-CD1 3.37Å
531	T	92.6	Very high	89	Confident	47 Å²	47	73.3 Å²	73.3	29%	0.288	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-37.9	177.6	-57.5	0	0	0	0	111.5	R527 N528 Q529 N535	R527-T531 WeakPolarHBondContact O-CB 3.5Å; R527-T531 PolarHBondContact O-N 3.28Å; R527-T531 VanDerWaalsContact O-N 3.09Å; R527-T531 PolarHBondContact O-OG1 3.5Å; N528-T531 PolarHBondContact O-N 2.91Å; Q529-T531 VanDerWaalsContact C-N 3.3Å; Q529-T531 PolarHBondContact O-N 3.19Å; T531-N535 VanDerWaalsContact O-CB 3.28Å; T531-N535 WeakPolarHBondContact O-CB 3.42Å; T531-N535 PolarHBondContact O-N 2.93Å; T531-N535 PolarHBondContact O-ND2 2.86Å
532	E	90.2	Very high	88.2	Confident	122 Å²	122	69.2 Å²	69.2	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-66.2	-45.7	175.3	-74.9	-177.1	-174.4	0	0	112	N528 Q529 W534 N535 S536	N528-E532 WeakPolarHBondContact O-CB 3.31Å; N528-E532 WeakPolarHBondContact O-CG 3.31Å; N528-E532 PolarHBondContact O-N 3.18Å; Q529-E532 PolarHBondContact O-N 3.09Å; Q529-E532 VanDerWaalsContact O-N 3.16Å; E532-W534 PolarHBondContact O-N 3.12Å; E532-N535 PolarHBondContact O-N 3.39Å; E532-S536 PolarHBondContact O-N 3.39Å
533	D	87.2	Confident	87.1	Confident	30 Å²	30	65.4 Å²	65.4	16%	0.16	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-49.9	174.8	-69	-10.1	0	0	0	109.9	H523 Q529 N535 S536 I537 Y787	H523-D533 IonicContact CE1-OD2 2.9Å; H523-D533 PolarHBondContact CE1-OD2 2.83Å; H523-D533 IonicContact ND1-OD2 3.63Å; H523-D533 PolarHBondContact ND1-OD2 3.2Å; H523-D533 VanDerWaalsContact ND1-OD2 3.11Å; Q529-D533 PolarHBondContact NE2-OD1 2.94Å; Q529-D533 WeakPolarHBondContact O-CB 3.31Å; Q529-D533 PolarHBondContact O-N 2.88Å; D533-N535 PolarHBondContact O-N 3.36Å; D533-S536 WeakPolarHBondContact O-CB 3.29Å; D533-S536 PolarHBondContact O-N 3.11Å; D533-I537 VanDerWaalsContact O-CG1 3.31Å; D533-I537 WeakPolarHBondContact O-CG1 3.43Å; D533-I537 PolarHBondContact O-N 2.96Å; D533-Y787 HydrophobicContact CB-CE1 4.46Å
534	W	93.7	Very high	85.9	Confident	19 Å²	19	67.1 Å²	67.1	7%	0.072	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-45.7	175.8	174.7	-105.5	0	0	0	112.3	L530 E532 S536 I537 D538 L770 I781 T783 L784 Y787	L530-W534 WeakPolarHBondContact O-CB 3.23Å; L530-W534 PolarHBondContact O-N 3.45Å; E532-W534 PolarHBondContact O-N 3.12Å; W534-S536 PolarHBondContact O-N 3.37Å; W534-I537 PolarHBondContact O-N 2.57Å; W534-D538 HydrophobicContact CZ2-CB 4.23Å; W534-D538 VanDerWaalsContact O-CB 3.23Å; W534-D538 WeakPolarHBondContact O-CB 3.24Å; W534-D538 PolarHBondContact O-N 3Å; W534-L770 HydrophobicContact CZ3-CD2 4.47Å; W534-I781 HydrophobicContact CH2-CG2 4Å; W534-I781 WeakPolarHBondContact CH2-O 3.19Å; W534-I781 HydrophobicContact CZ3-CB 4.45Å; W534-I781 HydrophobicContact CZ3-CG2 3.77Å; W534-T783 WeakPolarHBondContact CH2-O 3.31Å; W534-L784 HydrophobicContact CB-CD1 3.49Å; W534-L784 VanDerWaalsContact CB-CD1 3.49Å; W534-L784 HydrophobicContact CD2-CB 4.2Å; W534-L784 HydrophobicContact CD2-CD1 4.44Å; W534-L784 HydrophobicContact CG-CB 3.92Å; W534-L784 HydrophobicContact CG-CD1 3.71Å; W534-L784 HydrophobicContact CG-CG 4.38Å; W534-Y787 HydrophobicContact CB-CD1 4.45Å; W534-Y787 HydrophobicContact CE3-CD1 4.21Å; W534-Y787 HydrophobicContact CE3-CD2 4.49Å; W534-Y787 AromaticContact CE3-CG 3.86Å; W534-Y787 HydrophobicContact CE3-CG 3.86Å; W534-Y787 HydrophobicContact CZ3-CG 4.34Å
535	N	93.3	Very high	84.3	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-30.3	178.5	-78	-37.5	0	0	0	112.9	T531 E532 D533 K539	T531-N535 VanDerWaalsContact O-CB 3.28Å; T531-N535 WeakPolarHBondContact O-CB 3.42Å; T531-N535 PolarHBondContact O-N 2.93Å; T531-N535 PolarHBondContact O-ND2 2.86Å; E532-N535 PolarHBondContact O-N 3.39Å; D533-N535 PolarHBondContact O-N 3.36Å; N535-K539 WeakPolarHBondContact O-CD 3.46Å; N535-K539 WeakPolarHBondContact O-CG 3.47Å
536	S	90.7	Very high	82.6	Confident	74 Å²	74	65.5 Å²	65.5	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-50.1	173.3	-172.9	0	0	0	0	110.6	E532 D533 W534 K539 Y540	E532-S536 PolarHBondContact O-N 3.39Å; D533-S536 WeakPolarHBondContact O-CB 3.29Å; D533-S536 PolarHBondContact O-N 3.11Å; W534-S536 PolarHBondContact O-N 3.37Å; S536-K539 PolarHBondContact O-N 2.94Å; S536-Y540 PolarHBondContact O-N 3.37Å
537	I	89.8	Confident	81.4	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-41	-179.5	-61.9	162.9	0	0	0	111.3	D533 W534 K539 Y540 A767 L770 R774 Y787	D533-I537 VanDerWaalsContact O-CG1 3.31Å; D533-I537 WeakPolarHBondContact O-CG1 3.43Å; D533-I537 PolarHBondContact O-N 2.96Å; W534-I537 PolarHBondContact O-N 2.57Å; I537-K539 PolarHBondContact O-N 3.23Å; I537-Y540 WeakPolarHBondContact O-CA 3.25Å; I537-Y540 WeakPolarHBondContact O-CB 3.49Å; I537-Y540 PolarHBondContact O-N 3.34Å; I537-A767 HydrophobicContact CD1-CB 3.64Å; I537-A767 HydrophobicContact CG1-CB 4.23Å; I537-L770 HydrophobicContact CD1-CD2 4.23Å; I537-L770 HydrophobicContact CG2-CB 4.49Å; I537-L770 HydrophobicContact CG2-CD2 3.61Å; I537-L770 HydrophobicContact CG2-CG 3.79Å; I537-R774 PolarHBondContact O-NH1 3.37Å; I537-Y787 HydrophobicContact CD1-CD2 4.47Å; I537-Y787 HydrophobicContact CD1-CE1 4.26Å; I537-Y787 HydrophobicContact CD1-CE2 3.73Å
538	D	91.8	Very high	80.7	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-37.8	-178.2	-172.5	47.3	0	0	0	111.6	W534 Y540 R774	W534-D538 HydrophobicContact CZ2-CB 4.23Å; W534-D538 VanDerWaalsContact O-CB 3.23Å; W534-D538 WeakPolarHBondContact O-CB 3.24Å; W534-D538 PolarHBondContact O-N 3Å; D538-Y540 VanDerWaalsContact C-N 3.29Å; D538-Y540 PolarHBondContact O-N 2.97Å; D538-R774 PolarHBondContact O-NH1 3.33Å
539	K	90	Very high	80.3	Confident	157 Å²	157	65.1 Å²	65.1	68%	0.683	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.1	175	-66.8	172.2	-170.9	161.7	0	113.8	N535 S536 I537 V541	N535-K539 WeakPolarHBondContact O-CD 3.46Å; N535-K539 WeakPolarHBondContact O-CG 3.47Å; S536-K539 PolarHBondContact O-N 2.94Å; I537-K539 PolarHBondContact O-N 3.23Å; K539-V541 PolarHBondContact O-N 3.1Å
540	Y	87.9	Confident	80.4	Confident	35 Å²	35	64.9 Å²	64.9	14%	0.137	33%	0.326	C	S	.	.			trans	-66.8	123.5	178.3	-176.1	-95	0	0	0	110.2	S536 I537 D538 E771 R774 D775	S536-Y540 PolarHBondContact O-N 3.37Å; I537-Y540 WeakPolarHBondContact O-CA 3.25Å; I537-Y540 WeakPolarHBondContact O-CB 3.49Å; I537-Y540 PolarHBondContact O-N 3.34Å; D538-Y540 VanDerWaalsContact C-N 3.29Å; D538-Y540 PolarHBondContact O-N 2.97Å; Y540-E771 HydrophobicContact CD1-CB 4.39Å; Y540-E771 HydrophobicContact CD1-CG 4.35Å; Y540-E771 HydrophobicContact CD2-CG 4.04Å; Y540-E771 HydrophobicContact CE1-CB 4.16Å; Y540-E771 HydrophobicContact CE2-CB 4.35Å; Y540-E771 HydrophobicContact CE2-CG 4.24Å; Y540-E771 HydrophobicContact CG-CG 4.1Å; Y540-R774 HydrophobicContact CD1-CB 3.81Å; Y540-R774 HydrophobicContact CE1-CB 4.05Å; Y540-D775 WeakPolarHBondContact CE1-OD1 3.16Å; Y540-D775 PolarHBondContact OH-OD1 3.46Å; Y540-D775 PolarHBondContact OH-OD2 3.31Å
541	V	79.9	Confident	80.3	Confident	69 Å²	69	64.9 Å²	64.9	42%	0.418	33%	0.326	S	S	.	.			trans	-127.2	127.2	173.6	179.8	0	0	0	0	107	L297 K539 S545	L297-V541 HydrophobicContact CD1-CB 4.43Å; K539-V541 PolarHBondContact O-N 3.1Å; V541-S545 WeakPolarHBondContact CG1-OG 3.37Å
542	S	71.3	Confident	80.1	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.021	34%	0.335	C	S	.	.			trans	-62.3	140.5	177.7	-168.1	0	0	0	0	110.5	E544 S545 D775	S542-E544 PolarHBondContact O-N 2.89Å; S542-S545 WeakPolarHBondContact O-CB 3.28Å; S542-S545 PolarHBondContact O-N 3.19Å; S542-S545 PolarHBondContact O-OG 3.11Å; S542-D775 VanDerWaalsContact CB-OD1 3.32Å; S542-D775 WeakPolarHBondContact CB-OD1 3.4Å; S542-D775 PolarHBondContact OG-OD1 3.19Å
543	E	64.3	Low	80.2	Confident	65 Å²	65	64.7 Å²	64.7	30%	0.304	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.3	-33.1	174.3	-60.4	-170.5	143	0	0	112.5	L297 E298 R299 S545	L297-E543 HydrophobicContact CB-CG 3.85Å; E298-E543 PolarHBondContact N-OE1 2.88Å; R299-E543 VanDerWaalsContact CA-CD 3.46Å; R299-E543 WeakPolarHBondContact CA-OE1 3.35Å; R299-E543 VanDerWaalsContact CA-OE2 3.22Å; R299-E543 WeakPolarHBondContact CA-OE2 3.4Å; R299-E543 WeakPolarHBondContact CG-OE1 3.25Å; R299-E543 WeakPolarHBondContact CG-OE2 3.5Å; R299-E543 PolarHBondContact N-OE1 3.28Å; E543-S545 PolarHBondContact O-N 3.02Å; E543-S545 VanDerWaalsContact O-N 3.15Å
544	E	56.2	Low	80.3	Confident	66 Å²	66	68 Å²	68	31%	0.308	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-72.6	-2.5	177.6	-54.4	-175.7	165.1	0	0	111.9	S542 I546 L547 Q570	S542-E544 PolarHBondContact O-N 2.89Å; E544-I546 PolarHBondContact O-N 3.07Å; E544-L547 PolarHBondContact O-N 2.92Å; E544-Q570 VanDerWaalsContact OE2-CD 3.24Å; E544-Q570 WeakPolarHBondContact OE2-CG 3.44Å; E544-Q570 PolarHBondContact OE2-NE2 3.47Å
545	S	56.1	Low	80.2	Confident	22 Å²	22	72.2 Å²	72.2	15%	0.154	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-61.4	-11.4	178.9	66.7	0	0	0	0	114.5	V541 S542 E543 L547 Y548 Y568	V541-S545 WeakPolarHBondContact CG1-OG 3.37Å; S542-S545 WeakPolarHBondContact O-CB 3.28Å; S542-S545 PolarHBondContact O-N 3.19Å; S542-S545 PolarHBondContact O-OG 3.11Å; E543-S545 PolarHBondContact O-N 3.02Å; E543-S545 VanDerWaalsContact O-N 3.15Å; S545-L547 PolarHBondContact O-N 3.23Å; S545-Y548 WeakPolarHBondContact O-CD1 3.33Å; S545-Y548 WeakPolarHBondContact O-CE1 3.3Å; S545-Y568 VanDerWaalsContact CB-CE1 3.47Å
546	I	55.2	Low	80.1	Confident	140 Å²	140	68.9 Å²	68.9	72%	0.718	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21	179.4	-57.5	174.6	0	0	0	111.5	E544 Y548	E544-I546 PolarHBondContact O-N 3.07Å; I546-Y548 PolarHBondContact O-N 2.97Å
547	L	65	Low	79.9	Confident	85 Å²	85	70.9 Å²	70.9	45%	0.445	35%	0.347	S	S	.	.			trans	-99.8	68.4	-167.7	-57	171.7	0	0	0	112.3	E544 S545 Y568 D569	E544-L547 PolarHBondContact O-N 2.92Å; S545-L547 PolarHBondContact O-N 3.23Å; L547-Y568 CarbonylContact O-C 3.56Å; L547-D569 HydrophobicContact CB-CB 4.25Å; L547-D569 WeakPolarHBondContact O-CA 3.5Å; L547-D569 WeakPolarHBondContact O-CB 3.42Å; L547-D569 PolarHBondContact O-N 3.09Å; L547-D569 VanDerWaalsContact O-OD2 3.07Å
548	Y	74.1	Confident	79.6	Confident	70 Å²	70	73 Å²	73	28%	0.275	36%	0.362	S	S	.	.			trans	-128.1	42.4	168.1	54.4	-95.1	0	0	0	112.1	S545 I546 G551 K552 I566 P567 Y568 D569	S545-Y548 WeakPolarHBondContact O-CD1 3.33Å; S545-Y548 WeakPolarHBondContact O-CE1 3.3Å; I546-Y548 PolarHBondContact O-N 2.97Å; Y548-G551 PolarHBondContact O-N 3.25Å; Y548-K552 HydrophobicContact CD2-CD 3.67Å; Y548-K552 HydrophobicContact CD2-CG 3.9Å; Y548-K552 HydrophobicContact CE2-CD 3.59Å; Y548-K552 HydrophobicContact CE2-CG 4.06Å; Y548-K552 VanDerWaalsContact CZ-NZ 3.25Å; Y548-K552 PolarHBondContact O-N 2.97Å; Y548-K552 PolarHBondContact OH-NZ 3.21Å; Y548-K552 VanDerWaalsContact OH-NZ 3.12Å; Y548-I566 HydrophobicContact CD2-CB 3.93Å; Y548-I566 HydrophobicContact CD2-CD1 4.13Å; Y548-I566 HydrophobicContact CD2-CG2 3.93Å; Y548-I566 HydrophobicContact CE2-CD1 4.39Å; Y548-I566 HydrophobicContact CG-CB 4.38Å; Y548-I566 HydrophobicContact CG-CG2 4.22Å; Y548-P567 VanDerWaalsContact CB-O 3.3Å; Y548-P567 WeakPolarHBondContact CB-O 3.48Å; Y548-Y568 HydrophobicContact CD1-CD1 4.3Å; Y548-D569 WeakPolarHBondContact CA-OD2 3.41Å; Y548-D569 PolarHBondContact N-OD2 2.76Å
549	E	81.3	Confident	79.5	Confident	146 Å²	146	70.3 Å²	70.3	68%	0.682	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-41.1	-175.4	-65	-170.6	164.2	0	0	111.5	G551 K552 N553 D569	E549-G551 PolarHBondContact O-N 2.86Å; E549-K552 PolarHBondContact O-N 2.73Å; E549-N553 PolarHBondContact O-N 2.92Å; E549-N553 VanDerWaalsContact O-N 3.16Å; E549-D569 PolarHBondContact N-OD2 3.17Å
550	E	88.7	Confident	79.5	Confident	61 Å²	61	63.9 Å²	63.9	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-42.6	180	-76.6	-60.6	145.7	0	0	111.3	K552 N553 K555 N556	E550-K552 VanDerWaalsContact C-N 3.29Å; E550-K552 PolarHBondContact O-N 3.44Å; E550-N553 WeakPolarHBondContact O-CB 3.37Å; E550-N553 PolarHBondContact O-N 3.36Å; E550-K555 IonicContact OE2-NZ 2.8Å; E550-K555 PolarHBondContact OE2-NZ 2.97Å; E550-N556 PolarHBondContact O-ND2 3.17Å
551	G	87.9	Confident	79.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-25	179.7	0	0	0	0	0	114.2	Y548 E549 N560 Y582	Y548-G551 PolarHBondContact O-N 3.25Å; E549-G551 PolarHBondContact O-N 2.86Å; G551-N560 PolarHBondContact O-ND2 3.12Å; G551-Y582 VanDerWaalsContact CA-CZ 3.48Å; G551-Y582 WeakPolarHBondContact CA-OH 3.25Å
552	K	88.2	Confident	79.8	Confident	111 Å²	111	63.1 Å²	63.1	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-78.1	-19.9	172.7	-87.2	170.2	156.7	153.6	0	113.8	Y548 E549 E550 Q557 I566	Y548-K552 HydrophobicContact CD2-CD 3.67Å; Y548-K552 HydrophobicContact CD2-CG 3.9Å; Y548-K552 HydrophobicContact CE2-CD 3.59Å; Y548-K552 HydrophobicContact CE2-CG 4.06Å; Y548-K552 VanDerWaalsContact CZ-NZ 3.25Å; Y548-K552 PolarHBondContact O-N 2.97Å; Y548-K552 PolarHBondContact OH-NZ 3.21Å; Y548-K552 VanDerWaalsContact OH-NZ 3.12Å; E549-K552 PolarHBondContact O-N 2.73Å; E550-K552 VanDerWaalsContact C-N 3.29Å; E550-K552 PolarHBondContact O-N 3.44Å; K552-Q557 PolarHBondContact O-NE2 3.2Å; K552-I566 HydrophobicContact CG-CD1 3.81Å
553	N	91.1	Very high	80.7	Confident	54 Å²	54	65.7 Å²	65.7	29%	0.289	35%	0.352	S	S	.	.	S	Bend	trans	-54.7	132.2	-177.2	-168.1	-41.5	0	0	0	110.6	E549 E550 K555 N556 Q557	E549-N553 PolarHBondContact O-N 2.92Å; E549-N553 VanDerWaalsContact O-N 3.16Å; E550-N553 WeakPolarHBondContact O-CB 3.37Å; E550-N553 PolarHBondContact O-N 3.36Å; N553-K555 HydrophobicContact CB-CG 4.23Å; N553-K555 WeakPolarHBondContact ND2-CE 3.35Å; N553-K555 PolarHBondContact O-N 3.46Å; N553-K555 WeakPolarHBondContact OD1-CG 3.36Å; N553-K555 PolarHBondContact OD1-N 3.36Å; N553-N556 WeakPolarHBondContact O-CA 3.37Å; N553-N556 WeakPolarHBondContact O-CB 3.3Å; N553-N556 PolarHBondContact O-N 3.01Å; N553-Q557 PolarHBondContact O-N 3.47Å
554	P	90.7	Very high	82	Confident	101 Å²	101	63.2 Å²	63.2	66%	0.656	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-33.6	-180	-31.3	35.9	0	0	0	114.8	N556	P554-N556 PolarHBondContact O-N 3.47Å
555	K	90.6	Very high	83.7	Confident	107 Å²	107	60.8 Å²	60.8	47%	0.465	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.9	176.8	78	-170.5	178.5	-179	0	113.7	E550 N553	E550-K555 IonicContact OE2-NZ 2.8Å; E550-K555 PolarHBondContact OE2-NZ 2.97Å; N553-K555 HydrophobicContact CB-CG 4.23Å; N553-K555 WeakPolarHBondContact ND2-CE 3.35Å; N553-K555 PolarHBondContact O-N 3.46Å; N553-K555 WeakPolarHBondContact OD1-CG 3.36Å; N553-K555 PolarHBondContact OD1-N 3.36Å
556	N	91.3	Very high	85.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-13.8	-173.2	-72.8	-22	0	0	0	113.5	E550 N553 P554 S558 K559 N580 Y582	E550-N556 PolarHBondContact O-ND2 3.17Å; N553-N556 WeakPolarHBondContact O-CA 3.37Å; N553-N556 WeakPolarHBondContact O-CB 3.3Å; N553-N556 PolarHBondContact O-N 3.01Å; P554-N556 PolarHBondContact O-N 3.47Å; N556-S558 VanDerWaalsContact C-N 3.25Å; N556-S558 PolarHBondContact O-N 3.44Å; N556-K559 WeakPolarHBondContact O-CB 3.27Å; N556-K559 PolarHBondContact O-N 2.77Å; N556-N580 PolarHBondContact OD1-ND2 2.96Å; N556-N580 PolarHBondContact OD1-OD1 3.09Å; N556-Y582 HydrophobicContact CB-CD1 3.55Å; N556-Y582 HydrophobicContact CB-CE1 3.88Å; N556-Y582 HydrophobicContact CB-CG 3.91Å; N556-Y582 VanDerWaalsContact CG-CB 3.47Å; N556-Y582 VanDerWaalsContact CG-CG 3.44Å; N556-Y582 WeakPolarHBondContact ND2-CB 3.28Å; N556-Y582 WeakPolarHBondContact OD1-CB 3.35Å
557	Q	86.1	Confident	87.3	Confident	116 Å²	116	54.9 Å²	54.9	54%	0.542	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-57.4	-37.2	-176.4	-71.4	-179.3	7.8	0	0	112.9	K552 N553 K559 N560	K552-Q557 PolarHBondContact O-NE2 3.2Å; N553-Q557 PolarHBondContact O-N 3.47Å; Q557-K559 PolarHBondContact O-N 3.24Å; Q557-K559 VanDerWaalsContact O-N 3.16Å; Q557-N560 PolarHBondContact O-N 3.02Å; Q557-N560 VanDerWaalsContact O-N 3.09Å
558	S	84.8	Confident	88.5	Confident	45 Å²	45	51.1 Å²	51.1	32%	0.315	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-70.1	-8	178.3	64.6	0	0	0	0	114.7	N556	N556-S558 VanDerWaalsContact C-N 3.25Å; N556-S558 PolarHBondContact O-N 3.44Å
559	K	88.7	Confident	89.2	Confident	24 Å²	24	49.2 Å²	49.2	10%	0.104	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-98.2	0.6	174.5	-59.8	-170.2	-178.6	-165.8	0	112.4	N556 Q557 Y582 D611	N556-K559 WeakPolarHBondContact O-CB 3.27Å; N556-K559 PolarHBondContact O-N 2.77Å; Q557-K559 PolarHBondContact O-N 3.24Å; Q557-K559 VanDerWaalsContact O-N 3.16Å; K559-Y582 HydrophobicContact CB-CD1 4.09Å; K559-Y582 HydrophobicContact CB-CE1 4.1Å; K559-Y582 HydrophobicContact CD-CD1 4.11Å; K559-Y582 WeakPolarHBondContact CD-O 3.43Å; K559-Y582 PolarHBondContact NZ-O 2.88Å; K559-D611 WeakPolarHBondContact CE-OD2 3.5Å; K559-D611 IonicContact NZ-OD1 2.83Å; K559-D611 IonicContact NZ-OD2 3.92Å; K559-D611 PolarHBondContact NZ-OD2 2.95Å
560	N	89.9	Confident	89.4	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.112	26%	0.26	C	S	.	.	S	Bend	trans	-107.3	154.8	176.9	-64.8	-39.7	0	0	0	110.8	G551 Q557 Y582 N584	G551-N560 PolarHBondContact O-ND2 3.12Å; Q557-N560 PolarHBondContact O-N 3.02Å; Q557-N560 VanDerWaalsContact O-N 3.09Å; N560-Y582 PolarHBondContact ND2-OH 2.97Å; N560-Y582 WeakPolarHBondContact OD1-CE1 3.36Å; N560-Y582 PolarHBondContact OD1-OH 2.93Å; N560-N584 PolarHBondContact OD1-ND2 2.89Å
561	R	89.4	Confident	89.4	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.026	25%	0.249	C	C	.	.			trans	-103.9	149.4	171.4	-67.3	173.1	-177.7	-109.1	-7.2	110.1	C563 A564 I602 T603 P604 T605 D646 A647 S648 C738	R561-C563 PolarHBondContact O-N 3.19Å; R561-A564 HydrophobicContact CB-CB 3.89Å; R561-A564 PolarHBondContact O-N 3.16Å; R561-A564 VanDerWaalsContact O-N 3.16Å; R561-I602 HydrophobicContact CG-CD1 4.13Å; R561-T603 VanDerWaalsContact CZ-O 3.28Å; R561-T603 PolarHBondContact NE-O 2.85Å; R561-T603 VanDerWaalsContact NE-O 3.12Å; R561-T603 PolarHBondContact NH2-O 3.5Å; R561-P604 PolarHBondContact NH2-O 3.04Å; R561-T605 HydrophobicContact CG-CG2 4.19Å; R561-D646 WeakPolarHBondContact CB-OD1 3.35Å; R561-D646 PolarHBondContact NH1-O 3.3Å; R561-A647 PolarHBondContact NH2-O 3.45Å; R561-S648 PolarHBondContact NH1-OG 2.92Å; R561-S648 VanDerWaalsContact NH2-CA 3.27Å; R561-C738 VanDerWaalsContact CD-O 3.24Å; R561-C738 WeakPolarHBondContact CD-O 3.34Å
562	G	84.9	Confident	89.6	Confident	81 Å²	81	44.4 Å²	44.4	84%	0.835	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.3	177.8	0	0	0	0	0	112.9	D646	G562-D646 PolarHBondContact N-OD1 3.38Å
563	C	89.8	Confident	90	Very high	58 Å²	58	39.1 Å²	39.1	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.7	178.2	65.2	0	0	0	0	114.2	R561 D739	R561-C563 PolarHBondContact O-N 3.19Å; C563-D739 WeakPolarHBondContact O-CB 3.5Å
564	A	93.1	Very high	90.1	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	24%	0.238	C	C	.	.	S	Bend	trans	-105.4	136.6	-172	0	0	0	0	0	112.1	R561 I602 D739	R561-A564 HydrophobicContact CB-CB 3.89Å; R561-A564 PolarHBondContact O-N 3.16Å; R561-A564 VanDerWaalsContact O-N 3.16Å; A564-I602 HydrophobicContact CB-CG2 3.51Å; A564-D739 HydrophobicContact CB-CB 4.18Å
565	P	92.1	Very high	90.4	Very high	15 Å²	15	37.3 Å²	37.3	10%	0.097	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-66.3	148.9	170.4	29.1	-33.6	0	0	0	110.9	N584 C741 P778 N779	P565-N584 PolarHBondContact O-ND2 2.86Å; P565-N584 PolarHBondContact O-OD1 3.29Å; P565-C741 HydrophobicContact CG-CB 3.96Å; P565-P778 HydrophobicContact CB-CB 4Å; P565-P778 HydrophobicContact CB-CG 3.98Å; P565-P778 WeakPolarHBondContact CG-O 3.19Å; P565-N779 HydrophobicContact CG-CB 4.45Å
566	I	93	Very high	90.4	Very high	38 Å²	38	42.7 Å²	42.7	20%	0.195	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-77.9	133.6	171.1	-59.7	178.3	0	0	0	107.9	Y548 K552 P778	Y548-I566 HydrophobicContact CD2-CB 3.93Å; Y548-I566 HydrophobicContact CD2-CD1 4.13Å; Y548-I566 HydrophobicContact CD2-CG2 3.93Å; Y548-I566 HydrophobicContact CE2-CD1 4.39Å; Y548-I566 HydrophobicContact CG-CB 4.38Å; Y548-I566 HydrophobicContact CG-CG2 4.22Å; K552-I566 HydrophobicContact CG-CD1 3.81Å; I566-P778 VanDerWaalsContact O-CG 3.32Å; I566-P778 WeakPolarHBondContact O-CG 3.44Å
567	P	93.3	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.9	178.7	30.2	-36.9	0	0	0	111.1	Y548 R572 Y582 S586	Y548-P567 VanDerWaalsContact CB-O 3.3Å; Y548-P567 WeakPolarHBondContact CB-O 3.48Å; P567-R572 HydrophobicContact CB-CB 4Å; P567-R572 HydrophobicContact CG-CB 4.07Å; P567-Y582 WeakPolarHBondContact CD-OH 3.39Å; P567-Y582 HydrophobicContact CG-CE2 4.14Å; P567-S586 WeakPolarHBondContact CB-OG 3.44Å
568	Y	89.6	Confident	89.7	Confident	6 Å²	6	43 Å²	43	2%	0.024	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.9	145.7	170	-52.3	-46.8	0	0	0	111	S545 L547 Y548 Q570 S571 R572 R774 D775 P778	S545-Y568 VanDerWaalsContact CB-CE1 3.47Å; L547-Y568 CarbonylContact O-C 3.56Å; Y548-Y568 HydrophobicContact CD1-CD1 4.3Å; Y568-Q570 VanDerWaalsContact C-N 3.29Å; Y568-Q570 PolarHBondContact O-N 2.87Å; Y568-S571 PolarHBondContact O-N 3.3Å; Y568-S571 PolarHBondContact O-OG 3.24Å; Y568-R572 VanDerWaalsContact O-CB 3.31Å; Y568-R572 WeakPolarHBondContact O-CB 3.34Å; Y568-R572 PolarHBondContact O-N 3.47Å; Y568-R774 VanDerWaalsContact CE2-O 3.31Å; Y568-R774 WeakPolarHBondContact CE2-O 3.4Å; Y568-R774 PolarHBondContact OH-O 3.46Å; Y568-R774 VanDerWaalsContact OH-O 3.09Å; Y568-D775 WeakPolarHBondContact CD2-O 3.37Å; Y568-D775 WeakPolarHBondContact CE2-O 3.33Å; Y568-P778 HydrophobicContact CD1-CG 3.96Å; Y568-P778 HydrophobicContact CE1-CB 4.04Å; Y568-P778 HydrophobicContact CE1-CG 3.4Å; Y568-P778 HydrophobicContact CE2-CG 4.25Å
569	D	88.9	Confident	89.7	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.16	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.5	-176.2	-73.1	-36.8	0	0	0	112.3	L547 Y548 E549 R572	L547-D569 HydrophobicContact CB-CB 4.25Å; L547-D569 WeakPolarHBondContact O-CA 3.5Å; L547-D569 WeakPolarHBondContact O-CB 3.42Å; L547-D569 PolarHBondContact O-N 3.09Å; L547-D569 VanDerWaalsContact O-OD2 3.07Å; Y548-D569 WeakPolarHBondContact CA-OD2 3.41Å; Y548-D569 PolarHBondContact N-OD2 2.76Å; E549-D569 PolarHBondContact N-OD2 3.17Å; D569-R572 IonicContact OD1-NE 2.84Å
570	Q	84.9	Confident	89.7	Confident	82 Å²	82	50.1 Å²	50.1	38%	0.383	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28	176.2	71.3	-83.9	1.4	0	0	113.6	E544 Y568	E544-Q570 VanDerWaalsContact OE2-CD 3.24Å; E544-Q570 WeakPolarHBondContact OE2-CG 3.44Å; E544-Q570 PolarHBondContact OE2-NE2 3.47Å; Y568-Q570 VanDerWaalsContact C-N 3.29Å; Y568-Q570 PolarHBondContact O-N 2.87Å
571	S	88.8	Confident	89.9	Confident	8 Å²	8	51.4 Å²	51.4	6%	0.056	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-10.4	-176.8	66.4	0	0	0	0	113.4	Y568 S586 L587 Q776	Y568-S571 PolarHBondContact O-N 3.3Å; Y568-S571 PolarHBondContact O-OG 3.24Å; S571-S586 CarbonylContact O-C 3.6Å; S571-S586 WeakPolarHBondContact O-CA 3.36Å; S571-L587 PolarHBondContact O-N 2.72Å; S571-Q776 VanDerWaalsContact CB-O 3.24Å; S571-Q776 WeakPolarHBondContact CB-O 3.32Å; S571-Q776 PolarHBondContact OG-O 3.17Å
572	R	93.5	Very high	90.1	Very high	16 Å²	16	51.1 Å²	51.1	6%	0.06	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	144	-178.9	71.6	178.9	-178.8	83.2	-4	111.6	P567 Y568 D569 K574 D581 A585	P567-R572 HydrophobicContact CB-CB 4Å; P567-R572 HydrophobicContact CG-CB 4.07Å; Y568-R572 VanDerWaalsContact O-CB 3.31Å; Y568-R572 WeakPolarHBondContact O-CB 3.34Å; Y568-R572 PolarHBondContact O-N 3.47Å; D569-R572 IonicContact OD1-NE 2.84Å; R572-K574 HydrophobicContact CG-CG 4.33Å; R572-K574 PolarHBondContact O-N 3.11Å; R572-D581 IonicContact CZ-OD2 3.21Å; R572-D581 VanDerWaalsContact CZ-OD2 3.3Å; R572-D581 IonicContact NH1-OD1 3.2Å; R572-D581 IonicContact NH1-OD2 2.97Å; R572-D581 PolarHBondContact NH1-OD2 2.83Å; R572-D581 IonicContact NH2-OD2 2.73Å; R572-D581 PolarHBondContact NH2-OD2 2.98Å; R572-A585 CarbonylContact C-O 3.59Å; R572-A585 VanDerWaalsContact CA-O 3.29Å; R572-A585 WeakPolarHBondContact CA-O 3.47Å
573	V	95.3	Very high	90.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.8	166.9	-177.3	0	0	0	0	108.6	L575 I583 A585 L587 I599 M615 Q619	V573-L575 HydrophobicContact CG1-CD2 4.45Å; V573-I583 HydrophobicContact CB-CG2 4.01Å; V573-I583 HydrophobicContact CG1-CG2 4.27Å; V573-A585 HydrophobicContact CB-CB 4.13Å; V573-A585 HydrophobicContact CG2-CB 3.76Å; V573-A585 PolarHBondContact N-O 3.14Å; V573-L587 HydrophobicContact CG2-CD2 4.03Å; V573-L587 HydrophobicContact CG2-CG 3.94Å; V573-I599 HydrophobicContact CG2-CG1 4.4Å; V573-I599 HydrophobicContact CG2-CG2 4.05Å; V573-M615 HydrophobicContact CB-SD 4.37Å; V573-M615 HydrophobicContact CG1-CG 4Å; V573-M615 HydrophobicContact CG1-SD 4.24Å; V573-M615 HydrophobicContact CG2-SD 4.12Å; V573-Q619 HydrophobicContact CG1-CG 4.21Å
574	K	94.3	Very high	91	Very high	111 Å²	111	44.8 Å²	44.8	48%	0.483	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.4	175.6	-43.2	-162	176.4	178.8	0	109.3	R572 D581	R572-K574 HydrophobicContact CG-CG 4.33Å; R572-K574 PolarHBondContact O-N 3.11Å; K574-D581 WeakPolarHBondContact CA-O 3.23Å
575	L	95.6	Very high	91.2	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	23%	0.225	C	C	.	.			trans	-76	130	177.5	-55	177.6	0	0	0	109.7	V573 D581 I583 D611 L614 M615 E618	V573-L575 HydrophobicContact CG1-CD2 4.45Å; L575-D581 PolarHBondContact N-O 3.22Å; L575-D581 WeakPolarHBondContact O-CA 3.48Å; L575-D581 WeakPolarHBondContact O-CB 3.3Å; L575-I583 HydrophobicContact CD1-CB 4.07Å; L575-I583 HydrophobicContact CD1-CG2 4.21Å; L575-I583 HydrophobicContact CD2-CG2 4.03Å; L575-I583 HydrophobicContact CG-CB 4.41Å; L575-I583 HydrophobicContact CG-CG2 4Å; L575-D611 HydrophobicContact CD1-CB 3.84Å; L575-L614 HydrophobicContact CB-CD2 4.21Å; L575-L614 HydrophobicContact CD1-CD2 4.26Å; L575-L614 HydrophobicContact CD2-CG 4.39Å; L575-M615 HydrophobicContact CD2-CB 3.87Å; L575-E618 WeakPolarHBondContact CA-OE2 3.11Å
576	R	90.7	Very high	91.4	Very high	220 Å²	220	43.5 Å²	43.5	83%	0.83	22%	0.221	S	C	*	.	S	Bend	trans	-90.9	-34.3	-174	-60.6	-179.1	-178.5	179.1	2	113	E618	R576-E618 PolarHBondContact N-OE1 3.3Å; R576-E618 PolarHBondContact N-OE2 3.05Å
577	S	83.1	Confident	91.5	Very high	96 Å²	96	42.9 Å²	42.9	67%	0.671	22%	0.218	S	C	*	.	S	Bend	trans	-110.7	5.2	-169.2	-36.7	0	0	0	0	113.4	E618	S577-E618 WeakPolarHBondContact CB-OE1 3.16Å; S577-E618 PolarHBondContact N-OE1 3.26Å; S577-E618 PolarHBondContact OG-OE1 2.83Å
578	G	80.1	Confident	91.5	Very high	27 Å²	27	42.9 Å²	42.9	28%	0.278	22%	0.218	S	C	.	.	S	Bend	trans	-91.4	161.4	177.3	0	0	0	0	0	112.3	N580	G578-N580 PolarHBondContact O-N 3.47Å
579	D	84.1	Confident	91.5	Very high	186 Å²	186	45 Å²	45	100%	0.995	23%	0.226	S	C	*	.	S	Bend	trans	-61.5	-23.8	174.8	-63.2	-30	0	0	0	112.6
580	N	89	Confident	91.2	Very high	33 Å²	33	44.1 Å²	44.1	18%	0.176	22%	0.221	C	C	.	.	S	Bend	trans	-139.3	128.7	-179.9	179.4	-8.9	0	0	0	108.2	N556 G578 Y582	N556-N580 PolarHBondContact OD1-ND2 2.96Å; N556-N580 PolarHBondContact OD1-OD1 3.09Å; G578-N580 PolarHBondContact O-N 3.47Å; N580-Y582 PolarHBondContact O-N 2.91Å; N580-Y582 WeakPolarHBondContact OD1-CB 3.47Å; N580-Y582 PolarHBondContact OD1-N 3.26Å
581	D	93.9	Very high	90.6	Very high	48 Å²	48	43.8 Å²	43.8	26%	0.257	23%	0.225	S	C	.	.			trans	-73.8	-6.1	-175.8	81.6	-39	0	0	0	113.5	R572 K574 L575	R572-D581 IonicContact CZ-OD2 3.21Å; R572-D581 VanDerWaalsContact CZ-OD2 3.3Å; R572-D581 IonicContact NH1-OD1 3.2Å; R572-D581 IonicContact NH1-OD2 2.97Å; R572-D581 PolarHBondContact NH1-OD2 2.83Å; R572-D581 IonicContact NH2-OD2 2.73Å; R572-D581 PolarHBondContact NH2-OD2 2.98Å; K574-D581 WeakPolarHBondContact CA-O 3.23Å; L575-D581 PolarHBondContact N-O 3.22Å; L575-D581 WeakPolarHBondContact O-CA 3.48Å; L575-D581 WeakPolarHBondContact O-CB 3.3Å
582	Y	95.2	Very high	89.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.4	-173.8	-174.3	-99.4	0	0	0	113.9	G551 N556 K559 N560 P567 N580	G551-Y582 VanDerWaalsContact CA-CZ 3.48Å; G551-Y582 WeakPolarHBondContact CA-OH 3.25Å; N556-Y582 HydrophobicContact CB-CD1 3.55Å; N556-Y582 HydrophobicContact CB-CE1 3.88Å; N556-Y582 HydrophobicContact CB-CG 3.91Å; N556-Y582 VanDerWaalsContact CG-CB 3.47Å; N556-Y582 VanDerWaalsContact CG-CG 3.44Å; N556-Y582 WeakPolarHBondContact ND2-CB 3.28Å; N556-Y582 WeakPolarHBondContact OD1-CB 3.35Å; K559-Y582 HydrophobicContact CB-CD1 4.09Å; K559-Y582 HydrophobicContact CB-CE1 4.1Å; K559-Y582 HydrophobicContact CD-CD1 4.11Å; K559-Y582 WeakPolarHBondContact CD-O 3.43Å; K559-Y582 PolarHBondContact NZ-O 2.88Å; N560-Y582 PolarHBondContact ND2-OH 2.97Å; N560-Y582 WeakPolarHBondContact OD1-CE1 3.36Å; N560-Y582 PolarHBondContact OD1-OH 2.93Å; P567-Y582 WeakPolarHBondContact CD-OH 3.39Å; P567-Y582 HydrophobicContact CG-CE2 4.14Å; N580-Y582 PolarHBondContact O-N 2.91Å; N580-Y582 WeakPolarHBondContact OD1-CB 3.47Å; N580-Y582 PolarHBondContact OD1-N 3.26Å
583	I	96.2	Very high	88.5	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.8	162.7	-175.8	169.2	0	0	0	108.1	V573 L575 A585 D611 M615	V573-I583 HydrophobicContact CB-CG2 4.01Å; V573-I583 HydrophobicContact CG1-CG2 4.27Å; L575-I583 HydrophobicContact CD1-CB 4.07Å; L575-I583 HydrophobicContact CD1-CG2 4.21Å; L575-I583 HydrophobicContact CD2-CG2 4.03Å; L575-I583 HydrophobicContact CG-CB 4.41Å; L575-I583 HydrophobicContact CG-CG2 4Å; I583-A585 HydrophobicContact CG1-CB 4.46Å; I583-A585 HydrophobicContact CG2-CB 4.14Å; I583-A585 PolarHBondContact O-N 3.2Å; I583-D611 HydrophobicContact CD1-CB 4.07Å; I583-D611 HydrophobicContact CG1-CB 4.47Å; I583-M615 HydrophobicContact CD1-CB 4.07Å; I583-M615 HydrophobicContact CD1-CE 4.29Å; I583-M615 HydrophobicContact CD1-SD 3.96Å; I583-M615 HydrophobicContact CG2-SD 4.39Å
584	N	96.2	Very high	87.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	77.3	175	-169.7	-38.5	0	0	0	110.8	N560 P565 T601 I602 R777	N560-N584 PolarHBondContact OD1-ND2 2.89Å; P565-N584 PolarHBondContact O-ND2 2.86Å; P565-N584 PolarHBondContact O-OD1 3.29Å; N584-T601 PolarHBondContact O-OG1 2.83Å; N584-T601 VanDerWaalsContact O-OG1 3.08Å; N584-I602 HydrophobicContact CB-CD1 3.98Å; N584-I602 HydrophobicContact CB-CG1 4.15Å; N584-I602 HydrophobicContact CB-CG2 4.33Å; N584-I602 PolarHBondContact O-N 2.84Å; N584-R777 PolarHBondContact OD1-NH1 3.44Å; N584-R777 VanDerWaalsContact OD1-NH1 3.15Å; N584-R777 PolarHBondContact OD1-NH2 2.81Å
585	A	97.9	Very high	86.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.8	178.2	0	0	0	0	0	111.1	R572 V573 I583 I599 A600 M615	R572-A585 CarbonylContact C-O 3.59Å; R572-A585 VanDerWaalsContact CA-O 3.29Å; R572-A585 WeakPolarHBondContact CA-O 3.47Å; V573-A585 HydrophobicContact CB-CB 4.13Å; V573-A585 HydrophobicContact CG2-CB 3.76Å; V573-A585 PolarHBondContact N-O 3.14Å; I583-A585 HydrophobicContact CG1-CB 4.46Å; I583-A585 HydrophobicContact CG2-CB 4.14Å; I583-A585 PolarHBondContact O-N 3.2Å; A585-I599 HydrophobicContact CB-CG2 3.95Å; A585-A600 CarbonylContact C-O 3.59Å; A585-A600 VanDerWaalsContact CA-O 3.27Å; A585-A600 WeakPolarHBondContact CA-O 3.32Å; A585-M615 HydrophobicContact CB-CE 4.47Å; A585-M615 HydrophobicContact CB-SD 3.54Å; A585-M615 VanDerWaalsContact CB-SD 3.54Å
586	S	96.7	Very high	86.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.5	179	-56.7	0	0	0	0	111	P567 S571 I599 A600 R777	P567-S586 WeakPolarHBondContact CB-OG 3.44Å; S571-S586 CarbonylContact O-C 3.6Å; S571-S586 WeakPolarHBondContact O-CA 3.36Å; S586-I599 WeakPolarHBondContact O-CA 3.49Å; S586-A600 PolarHBondContact N-O 3.46Å; S586-A600 PolarHBondContact O-N 3.35Å; S586-R777 PolarHBondContact OG-NH1 3.12Å
587	L	94.6	Very high	86.2	Confident	26 Å²	26	44.6 Å²	44.6	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126	167.9	-65	167.5	0	0	0	109	S571 V573 Y589 P596 I599	S571-L587 PolarHBondContact O-N 2.72Å; V573-L587 HydrophobicContact CG2-CD2 4.03Å; V573-L587 HydrophobicContact CG2-CG 3.94Å; L587-Y589 HydrophobicContact CB-CE2 3.9Å; L587-P596 HydrophobicContact CB-CB 4.15Å; L587-P596 HydrophobicContact CD2-CB 3.91Å; L587-P596 HydrophobicContact CD2-CG 3.92Å; L587-I599 HydrophobicContact CD2-CD1 4.22Å; L587-I599 HydrophobicContact CD2-CG1 3.79Å
588	L	93.8	Very high	86.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.4	179.2	-51.2	-177.9	0	0	0	110.8	P596 V597 Y598 A600 I748 L773 Q776 R777 M780	L588-P596 CarbonylContact O-C 3.56Å; L588-P596 WeakPolarHBondContact O-CA 3.35Å; L588-V597 PolarHBondContact O-N 3.22Å; L588-Y598 HydrophobicContact CB-CD2 4.41Å; L588-Y598 PolarHBondContact N-O 3.46Å; L588-Y598 PolarHBondContact O-N 2.93Å; L588-A600 HydrophobicContact CD1-CB 3.68Å; L588-A600 HydrophobicContact CG-CB 4.25Å; L588-I748 HydrophobicContact CD1-CD1 3.62Å; L588-I748 HydrophobicContact CD1-CG2 4.21Å; L588-L773 HydrophobicContact CD1-CD2 4.31Å; L588-Q776 HydrophobicContact CD2-CB 3.53Å; L588-R777 HydrophobicContact CD2-CB 4.07Å; L588-M780 HydrophobicContact CD1-CE 3.79Å
589	Y	88.1	Confident	87.8	Confident	51 Å²	51	38.9 Å²	38.9	20%	0.2	20%	0.199	C	C	.	.			trans	-112.5	142.9	-175.9	-59.2	-92.4	0	0	0	109.9	L587 P593 P596 H772 Q776	L587-Y589 HydrophobicContact CB-CE2 3.9Å; Y589-P593 WeakPolarHBondContact CD1-O 3.4Å; Y589-P593 VanDerWaalsContact CE1-O 3.22Å; Y589-P593 WeakPolarHBondContact CE1-O 3.5Å; Y589-P596 HydrophobicContact CD1-CB 4.25Å; Y589-P596 HydrophobicContact CE1-CB 3.87Å; Y589-P596 HydrophobicContact CE1-CG 4.33Å; Y589-P596 VanDerWaalsContact CE1-N 3.33Å; Y589-H772 PolarHBondContact O-NE2 3.2Å; Y589-Q776 VanDerWaalsContact CD2-OE1 3.31Å; Y589-Q776 PolarHBondContact O-NE2 2.75Å; Y589-Q776 VanDerWaalsContact O-NE2 3.17Å
590	D	84	Confident	88.4	Confident	10 Å²	10	30 Å²	30	5%	0.053	15%	0.152	C	C	.	.	S	Bend	trans	-94.6	-103.7	168.1	172	38.7	0	0	0	109.2	V597 L752 R756	D590-V597 HydrophobicContact CB-CG2 3.9Å; D590-L752 HydrophobicContact CB-CD1 4.42Å; D590-R756 IonicContact OD1-CZ 3.74Å; D590-R756 IonicContact OD1-NE 3.94Å; D590-R756 PolarHBondContact OD1-NE 2.77Å; D590-R756 IonicContact OD1-NH2 2.68Å; D590-R756 PolarHBondContact OD1-NH2 2.87Å
591	T	71	Confident	88.9	Confident	76 Å²	76	28.6 Å²	28.6	47%	0.466	14%	0.144	S	C	.	.	S	Bend	trans	-93.8	-32.9	-174.6	41.1	0	0	0	0	112.9	F335 P593	F335-T591 HydrophobicContact CE2-CG2 4.47Å; F335-T591 VanDerWaalsContact CE2-O 3.23Å; F335-T591 WeakPolarHBondContact CE2-O 3.2Å; T591-P593 WeakPolarHBondContact O-CD 3.39Å
592	N	69.1	Low	89	Confident	66 Å²	66	26.5 Å²	26.5	35%	0.353	13%	0.132	S	C	.	.			trans	-93.4	110.1	178.7	-175.7	-9.4	0	0	0	110.4	R594 N595	N592-R594 PolarHBondContact O-N 3.23Å; N592-R594 VanDerWaalsContact O-N 3.13Å; N592-R594 WeakPolarHBondContact OD1-CB 3.43Å; N592-R594 PolarHBondContact OD1-N 2.95Å; N592-N595 PolarHBondContact ND2-ND2 2.8Å; N592-N595 PolarHBondContact O-N 2.8Å
593	P	69.6	Low	89.1	Confident	37 Å²	37	26.5 Å²	26.5	24%	0.24	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.1	-178.7	30.9	-36.9	0	0	0	113.6	F337 Y589 T591	F337-P593 HydrophobicContact CB-CG 4.35Å; F337-P593 HydrophobicContact CD1-CG 4.07Å; F337-P593 HydrophobicContact CD2-CG 4.49Å; F337-P593 HydrophobicContact CE1-CG 4.5Å; F337-P593 HydrophobicContact CG-CG 4.06Å; Y589-P593 WeakPolarHBondContact CD1-O 3.4Å; Y589-P593 VanDerWaalsContact CE1-O 3.22Å; Y589-P593 WeakPolarHBondContact CE1-O 3.5Å; T591-P593 WeakPolarHBondContact O-CD 3.39Å
594	R	69.3	Low	89	Confident	169 Å²	169	26.3 Å²	26.3	64%	0.638	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-22.6	179.6	-60.2	-175.4	-179.9	134.5	5.4	113.1	N592	N592-R594 PolarHBondContact O-N 3.23Å; N592-R594 VanDerWaalsContact O-N 3.13Å; N592-R594 WeakPolarHBondContact OD1-CB 3.43Å; N592-R594 PolarHBondContact OD1-N 2.95Å
595	N	77.2	Confident	88.7	Confident	45 Å²	45	26.2 Å²	26.2	24%	0.241	13%	0.131	C	C	.	.	S	Bend	trans	-124	103.7	-170.2	-65.3	2.5	0	0	0	109.1	N592 V597 M730	N592-N595 PolarHBondContact ND2-ND2 2.8Å; N592-N595 PolarHBondContact O-N 2.8Å; N595-V597 PolarHBondContact O-N 2.83Å; N595-M730 VanDerWaalsContact OD1-CE 3.23Å; N595-M730 WeakPolarHBondContact OD1-CE 3.37Å
596	P	89	Confident	88.3	Confident	21 Å²	21	28 Å²	28	14%	0.136	14%	0.142	C	C	.	.			trans	-63	135.7	175.5	28.9	-34.3	0	0	0	109	L587 L588 Y589 P732	L587-P596 HydrophobicContact CB-CB 4.15Å; L587-P596 HydrophobicContact CD2-CB 3.91Å; L587-P596 HydrophobicContact CD2-CG 3.92Å; L588-P596 CarbonylContact O-C 3.56Å; L588-P596 WeakPolarHBondContact O-CA 3.35Å; Y589-P596 HydrophobicContact CD1-CB 4.25Å; Y589-P596 HydrophobicContact CE1-CB 3.87Å; Y589-P596 HydrophobicContact CE1-CG 4.33Å; Y589-P596 VanDerWaalsContact CE1-N 3.33Å; P596-P732 HydrophobicContact CB-CB 4.42Å; P596-P732 HydrophobicContact CG-CB 4.41Å; P596-P732 HydrophobicContact CG-CG 4.39Å
597	V	92.2	Very high	87.9	Confident	40 Å²	40	32.9 Å²	32.9	24%	0.242	16%	0.163	C	C	.	.			trans	-90.3	-34.4	178.1	-174.5	0	0	0	0	110.1	L588 D590 N595 P732 I733	L588-V597 PolarHBondContact O-N 3.22Å; D590-V597 HydrophobicContact CB-CG2 3.9Å; N595-V597 PolarHBondContact O-N 2.83Å; V597-P732 WeakPolarHBondContact O-CA 3.17Å; V597-I733 PolarHBondContact O-N 3.02Å
598	Y	97.6	Very high	87.7	Confident	3 Å²	3	31.9 Å²	31.9	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.2	-178.3	-43.5	-85.8	0	0	0	111.3	L588 I733 V735 I748 D751	L588-Y598 HydrophobicContact CB-CD2 4.41Å; L588-Y598 PolarHBondContact N-O 3.46Å; L588-Y598 PolarHBondContact O-N 2.93Å; Y598-I733 CarbonylContact C-O 3.52Å; Y598-I733 VanDerWaalsContact CA-O 3.27Å; Y598-I733 WeakPolarHBondContact CA-O 3.45Å; Y598-I733 HydrophobicContact CD1-CB 4.16Å; Y598-V735 HydrophobicContact CD1-CG2 4.34Å; Y598-I748 HydrophobicContact CD1-CG1 4.3Å; Y598-I748 HydrophobicContact CD2-CG2 3.77Å; Y598-I748 HydrophobicContact CE2-CG2 3.96Å; Y598-I748 HydrophobicContact CG-CD1 4.3Å; Y598-I748 HydrophobicContact CG-CG1 4.29Å; Y598-I748 HydrophobicContact CG-CG2 4.13Å; Y598-D751 VanDerWaalsContact CE1-OD2 3.3Å; Y598-D751 WeakPolarHBondContact CE1-OD2 3.42Å; Y598-D751 PolarHBondContact OH-OD2 3.46Å
599	I	98.3	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.6	159.3	-69.5	167.6	0	0	0	106.9	V573 A585 S586 L587 M615 Q619 P732 I733 V734 V735	V573-I599 HydrophobicContact CG2-CG1 4.4Å; V573-I599 HydrophobicContact CG2-CG2 4.05Å; A585-I599 HydrophobicContact CB-CG2 3.95Å; S586-I599 WeakPolarHBondContact O-CA 3.49Å; L587-I599 HydrophobicContact CD2-CD1 4.22Å; L587-I599 HydrophobicContact CD2-CG1 3.79Å; I599-M615 HydrophobicContact CD1-CG 4.4Å; I599-M615 HydrophobicContact CG2-CE 3.97Å; I599-M615 HydrophobicContact CG2-SD 3.67Å; I599-Q619 HydrophobicContact CD1-CB 3.77Å; I599-Q619 HydrophobicContact CD1-CG 3.72Å; I599-P732 HydrophobicContact CD1-CB 4.28Å; I599-P732 HydrophobicContact CD1-CG 3.61Å; I599-P732 HydrophobicContact CG1-CB 4.04Å; I599-P732 HydrophobicContact CG1-CG 3.9Å; I599-I733 PolarHBondContact N-O 3.16Å; I599-V734 HydrophobicContact CB-CG2 4.33Å; I599-V734 HydrophobicContact CD1-CG2 4.36Å; I599-V734 WeakPolarHBondContact O-CA 3.33Å; I599-V735 PolarHBondContact O-N 2.89Å
600	A	98.6	Very high	88.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.1	171	0	0	0	0	0	109.4	A585 S586 L588 T744 I748 M780	A585-A600 CarbonylContact C-O 3.59Å; A585-A600 VanDerWaalsContact CA-O 3.27Å; A585-A600 WeakPolarHBondContact CA-O 3.32Å; S586-A600 PolarHBondContact N-O 3.46Å; S586-A600 PolarHBondContact O-N 3.35Å; L588-A600 HydrophobicContact CD1-CB 3.68Å; L588-A600 HydrophobicContact CG-CB 4.25Å; A600-T744 HydrophobicContact CB-CG2 3.73Å; A600-I748 HydrophobicContact CB-CD1 4.06Å; A600-M780 HydrophobicContact CB-CE 4.42Å
601	T	98.4	Very high	88.7	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.5	-176.9	-175.5	0	0	0	0	111.1	N584 F612 M615 V734 V735 H736 G740	N584-T601 PolarHBondContact O-OG1 2.83Å; N584-T601 VanDerWaalsContact O-OG1 3.08Å; T601-F612 HydrophobicContact CG2-CD2 4.39Å; T601-F612 HydrophobicContact CG2-CE2 3.99Å; T601-M615 HydrophobicContact CG2-CE 4.04Å; T601-V734 HydrophobicContact CG2-CG1 3.83Å; T601-V735 PolarHBondContact N-O 2.81Å; T601-V735 VanDerWaalsContact N-O 3.12Å; T601-H736 HydrophobicContact CG2-CB 3.58Å; T601-H736 VanDerWaalsContact O-CA 3.32Å; T601-H736 WeakPolarHBondContact O-CA 3.4Å; T601-H736 WeakPolarHBondContact O-CB 3.27Å; T601-G740 WeakPolarHBondContact O-CA 3.47Å
602	I	96.6	Very high	89.9	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	156.7	167.7	65	173	0	0	0	110.8	R561 A564 N584 C737	R561-I602 HydrophobicContact CG-CD1 4.13Å; A564-I602 HydrophobicContact CB-CG2 3.51Å; N584-I602 HydrophobicContact CB-CD1 3.98Å; N584-I602 HydrophobicContact CB-CG1 4.15Å; N584-I602 HydrophobicContact CB-CG2 4.33Å; N584-I602 PolarHBondContact O-N 2.84Å; I602-C737 CarbonylContact C-O 3.58Å
603	T	96.3	Very high	91.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-58.9	131.1	163.7	-64	0	0	0	0	108.7	R561 T605 L633 H736 C737 C738	R561-T603 VanDerWaalsContact CZ-O 3.28Å; R561-T603 PolarHBondContact NE-O 2.85Å; R561-T603 VanDerWaalsContact NE-O 3.12Å; R561-T603 PolarHBondContact NH2-O 3.5Å; T603-T605 PolarHBondContact O-N 3.43Å; T603-L633 HydrophobicContact CG2-CD2 3.66Å; T603-H736 PolarHBondContact OG1-ND1 3.42Å; T603-C737 PolarHBondContact N-O 3.46Å; T603-C737 PolarHBondContact OG1-O 2.77Å; T603-C738 PolarHBondContact OG1-N 2.68Å
604	P	93.8	Very high	92.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-54.6	140.8	-178.5	-29.6	37.3	0	0	0	112.9	R561 S608 V609 F612 V649 Y651	R561-P604 PolarHBondContact NH2-O 3.04Å; P604-S608 WeakPolarHBondContact CA-OG 3.34Å; P604-V609 HydrophobicContact CB-CG2 3.81Å; P604-F612 HydrophobicContact CB-CB 4.39Å; P604-F612 HydrophobicContact CG-CB 3.79Å; P604-F612 HydrophobicContact CG-CD1 4.16Å; P604-F612 HydrophobicContact CG-CD2 3.53Å; P604-F612 HydrophobicContact CG-CE2 4.1Å; P604-F612 HydrophobicContact CG-CG 3.55Å; P604-V649 PolarHBondContact O-N 2.86Å; P604-Y651 HydrophobicContact CG-CD1 3.82Å; P604-Y651 HydrophobicContact CG-CE1 4.44Å; P604-Y651 HydrophobicContact CG-CG 4.02Å
605	T	90.7	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-91	168.1	163.6	63.9	0	0	0	0	108.6	R561 T603 K607 S608 V609 N645	R561-T605 HydrophobicContact CG-CG2 4.19Å; T603-T605 PolarHBondContact O-N 3.43Å; T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.1Å; T605-S608 PolarHBondContact N-OG 2.66Å; T605-S608 PolarHBondContact O-N 3.48Å; T605-S608 PolarHBondContact O-OG 2.67Å; T605-S608 PolarHBondContact OG1-N 2.95Å; T605-S608 PolarHBondContact OG1-OG 2.84Å; T605-V609 WeakPolarHBondContact O-CG2 3.25Å; T605-V609 PolarHBondContact O-N 3.33Å; T605-V609 VanDerWaalsContact O-N 3.11Å; T605-N645 WeakPolarHBondContact CG2-O 3.22Å
606	V	89.3	Confident	94.9	Very high	37 Å²	37	14.7 Å²	14.7	22%	0.224	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-46.6	-45.5	176.7	175.8	0	0	0	0	112.1	M636 I639 L644 V649	V606-M636 HydrophobicContact CB-SD 3.9Å; V606-M636 HydrophobicContact CG1-SD 3.57Å; V606-M636 VanDerWaalsContact CG1-SD 3.57Å; V606-M636 HydrophobicContact CG2-SD 3.58Å; V606-M636 VanDerWaalsContact CG2-SD 3.58Å; V606-I639 HydrophobicContact CG2-CD1 3.44Å; V606-I639 VanDerWaalsContact CG2-CD1 3.44Å; V606-I639 HydrophobicContact CG2-CG2 4.17Å; V606-L644 HydrophobicContact CB-CD2 4.22Å; V606-L644 HydrophobicContact CG1-CD2 4.09Å; V606-L644 HydrophobicContact CG2-CD2 4Å; V606-V649 HydrophobicContact CG2-CG1 3.78Å
607	K	87.5	Confident	95.2	Very high	102 Å²	102	14.8 Å²	14.8	44%	0.443	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-74.7	-27.7	-177	-69	177.4	178.3	167	0	113.5	T605 N645	T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.1Å; K607-N645 PolarHBondContact NZ-OD1 3.33Å
608	S	91.7	Very high	95.3	Very high	6 Å²	6	15 Å²	15	4%	0.042	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-97.9	-1.6	-175	77.7	0	0	0	0	113.8	P604 T605 D611 F612	P604-S608 WeakPolarHBondContact CA-OG 3.34Å; T605-S608 PolarHBondContact N-OG 2.66Å; T605-S608 PolarHBondContact O-N 3.48Å; T605-S608 PolarHBondContact O-OG 2.67Å; T605-S608 PolarHBondContact OG1-N 2.95Å; T605-S608 PolarHBondContact OG1-OG 2.84Å; S608-D611 PolarHBondContact O-N 3.08Å; S608-F612 WeakPolarHBondContact O-CB 3.27Å; S608-F612 PolarHBondContact O-N 2.92Å
609	V	94.5	Very high	95.1	Very high	2 Å²	2	17 Å²	17	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-45.8	175.3	173.4	0	0	0	0	112.3	P604 T605 D611 F612 W613 M636 V649 Y660	P604-V609 HydrophobicContact CB-CG2 3.81Å; T605-V609 WeakPolarHBondContact O-CG2 3.25Å; T605-V609 PolarHBondContact O-N 3.33Å; T605-V609 VanDerWaalsContact O-N 3.11Å; V609-D611 VanDerWaalsContact C-N 3.34Å; V609-D611 PolarHBondContact O-N 2.84Å; V609-F612 PolarHBondContact O-N 3.28Å; V609-W613 PolarHBondContact O-N 3.34Å; V609-M636 HydrophobicContact CG2-CE 3.97Å; V609-V649 HydrophobicContact CG2-CG2 3.46Å; V609-V649 VanDerWaalsContact CG2-CG2 3.46Å; V609-Y660 HydrophobicContact CG1-CD1 3.36Å; V609-Y660 HydrophobicContact CG1-CD2 4.47Å; V609-Y660 HydrophobicContact CG1-CE1 3.93Å; V609-Y660 HydrophobicContact CG1-CG 3.67Å
610	P	95.1	Very high	94.7	Very high	49 Å²	49	18.3 Å²	18.3	32%	0.318	10%	0.099	S	C	.	.	H	α-helix	trans	-60.3	-43.1	175.3	-24.8	36.2	0	0	0	112.8	F612 W613 L614	P610-F612 VanDerWaalsContact C-N 3.32Å; P610-F612 PolarHBondContact O-N 2.98Å; P610-W613 PolarHBondContact O-N 3.42Å; P610-L614 WeakPolarHBondContact O-CB 3.26Å; P610-L614 PolarHBondContact O-N 3.29Å
611	D	96.2	Very high	94.5	Very high	21 Å²	21	18.4 Å²	18.4	11%	0.112	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-37.4	178.7	-65.4	-26.7	0	0	0	111.9	K559 L575 I583 S608 V609 L614 M615	K559-D611 WeakPolarHBondContact CE-OD2 3.5Å; K559-D611 IonicContact NZ-OD1 2.83Å; K559-D611 IonicContact NZ-OD2 3.92Å; K559-D611 PolarHBondContact NZ-OD2 2.95Å; L575-D611 HydrophobicContact CD1-CB 3.84Å; I583-D611 HydrophobicContact CD1-CB 4.07Å; I583-D611 HydrophobicContact CG1-CB 4.47Å; S608-D611 PolarHBondContact O-N 3.08Å; V609-D611 VanDerWaalsContact C-N 3.34Å; V609-D611 PolarHBondContact O-N 2.84Å; D611-L614 PolarHBondContact O-N 3.48Å; D611-M615 WeakPolarHBondContact O-CB 3.36Å; D611-M615 PolarHBondContact O-N 3Å
612	F	97.6	Very high	94.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-47.3	177.3	177.3	-90.1	0	0	0	111.6	T601 P604 S608 V609 P610 L614 M615 V616 I624 Y651 V734	T601-F612 HydrophobicContact CG2-CD2 4.39Å; T601-F612 HydrophobicContact CG2-CE2 3.99Å; P604-F612 HydrophobicContact CB-CB 4.39Å; P604-F612 HydrophobicContact CG-CB 3.79Å; P604-F612 HydrophobicContact CG-CD1 4.16Å; P604-F612 HydrophobicContact CG-CD2 3.53Å; P604-F612 HydrophobicContact CG-CE2 4.1Å; P604-F612 HydrophobicContact CG-CG 3.55Å; S608-F612 WeakPolarHBondContact O-CB 3.27Å; S608-F612 PolarHBondContact O-N 2.92Å; V609-F612 PolarHBondContact O-N 3.28Å; P610-F612 VanDerWaalsContact C-N 3.32Å; P610-F612 PolarHBondContact O-N 2.98Å; F612-L614 VanDerWaalsContact C-N 3.33Å; F612-M615 HydrophobicContact CD2-CE 3.97Å; F612-M615 HydrophobicContact CE2-CE 4.15Å; F612-M615 WeakPolarHBondContact O-CB 3.23Å; F612-M615 PolarHBondContact O-N 2.93Å; F612-V616 HydrophobicContact CD1-CG2 4.31Å; F612-V616 HydrophobicContact CE1-CG2 3.93Å; F612-V616 HydrophobicContact CZ-CG2 4.23Å; F612-V616 WeakPolarHBondContact O-CG2 3.49Å; F612-V616 PolarHBondContact O-N 3.41Å; F612-I624 HydrophobicContact CE1-CD1 4.08Å; F612-I624 HydrophobicContact CZ-CD1 4.16Å; F612-I624 HydrophobicContact CZ-CG2 4.26Å; F612-Y651 AromaticContact CD1-CD2 3.92Å; F612-Y651 HydrophobicContact CD1-CD2 3.92Å; F612-Y651 HydrophobicContact CD1-CE2 4.19Å; F612-Y651 HydrophobicContact CD1-CG 4.47Å; F612-Y651 AromaticContact CE1-CD2 3.57Å; F612-Y651 HydrophobicContact CE1-CD2 3.57Å; F612-Y651 AromaticContact CE1-CE2 3.37Å; F612-Y651 HydrophobicContact CE1-CE2 3.37Å; F612-Y651 HydrophobicContact CE1-CG 4.38Å; F612-Y651 HydrophobicContact CZ-CD2 4.32Å; F612-Y651 AromaticContact CZ-CE2 3.8Å; F612-Y651 HydrophobicContact CZ-CE2 3.8Å; F612-Y651 AromaticContact CZ-CZ 3.98Å; F612-V734 HydrophobicContact CE2-CG1 3.95Å; F612-V734 HydrophobicContact CZ-CG1 4.17Å
613	W	97.8	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.8	-33.1	176.5	-75.2	111.7	0	0	0	112.5	V609 P610 V616 W617 I624 Y651 Y660 F663 V665 F682 L684	V609-W613 PolarHBondContact O-N 3.34Å; P610-W613 PolarHBondContact O-N 3.42Å; W613-V616 HydrophobicContact CE3-CB 4.31Å; W613-V616 HydrophobicContact CE3-CG1 4.22Å; W613-V616 HydrophobicContact CZ3-CG1 4.28Å; W613-V616 PolarHBondContact O-N 3.25Å; W613-W617 WeakPolarHBondContact O-CB 3.34Å; W613-W617 PolarHBondContact O-N 3.33Å; W613-I624 HydrophobicContact CH2-CD1 4.35Å; W613-I624 HydrophobicContact CZ3-CD1 4.33Å; W613-Y651 AromaticContact CZ2-CD2 3.88Å; W613-Y651 HydrophobicContact CZ2-CD2 3.88Å; W613-Y651 HydrophobicContact CZ2-CE2 4.24Å; W613-Y651 WeakPolarHBondContact CZ2-O 3.34Å; W613-Y651 PolarHBondContact NE1-O 3.41Å; W613-Y660 AromaticContact CD1-CD2 3.5Å; W613-Y660 VanDerWaalsContact CD1-CD2 3.5Å; W613-Y660 AromaticContact CD1-CG 3.73Å; W613-Y660 HydrophobicContact CG-CD2 4.42Å; W613-Y660 AromaticContact NE1-CD2 3.26Å; W613-Y660 VanDerWaalsContact NE1-CD2 3.26Å; W613-Y660 AromaticContact NE1-CE2 3.67Å; W613-Y660 AromaticContact NE1-CG 3.88Å; W613-F663 HydrophobicContact CB-CB 4.31Å; W613-F663 HydrophobicContact CB-CD2 3.88Å; W613-F663 HydrophobicContact CB-CG 4.27Å; W613-V665 HydrophobicContact CD2-CG2 3.79Å; W613-V665 HydrophobicContact CE3-CG2 4.12Å; W613-V665 HydrophobicContact CG-CG2 4.32Å; W613-V665 HydrophobicContact CH2-CG1 3.8Å; W613-V665 HydrophobicContact CH2-CG2 4.09Å; W613-V665 HydrophobicContact CZ2-CB 4.38Å; W613-V665 HydrophobicContact CZ2-CG1 3.78Å; W613-V665 HydrophobicContact CZ2-CG2 3.77Å; W613-V665 HydrophobicContact CZ3-CG2 4.26Å; W613-F682 HydrophobicContact CH2-CD2 4.22Å; W613-L684 HydrophobicContact CD2-CD1 4.46Å; W613-L684 HydrophobicContact CE3-CD1 3.78Å; W613-L684 HydrophobicContact CE3-CD2 4.14Å; W613-L684 HydrophobicContact CZ3-CD1 4.13Å; W613-L684 HydrophobicContact CZ3-CD2 4.32Å
614	L	97.3	Very high	94.5	Very high	18 Å²	18	19.2 Å²	19.2	9%	0.094	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-43.6	171	-176.7	58.7	0	0	0	111.7	L575 P610 D611 F612 W617 E618 F663	L575-L614 HydrophobicContact CB-CD2 4.21Å; L575-L614 HydrophobicContact CD1-CD2 4.26Å; L575-L614 HydrophobicContact CD2-CG 4.39Å; P610-L614 WeakPolarHBondContact O-CB 3.26Å; P610-L614 PolarHBondContact O-N 3.29Å; D611-L614 PolarHBondContact O-N 3.48Å; F612-L614 VanDerWaalsContact C-N 3.33Å; L614-W617 WeakPolarHBondContact O-CB 3.5Å; L614-W617 PolarHBondContact O-N 3.06Å; L614-E618 HydrophobicContact CD1-CG 3.89Å; L614-E618 HydrophobicContact CG-CG 4.33Å; L614-E618 WeakPolarHBondContact O-CB 3.42Å; L614-E618 WeakPolarHBondContact O-CG 3.3Å; L614-E618 PolarHBondContact O-N 3.43Å; L614-F663 VanDerWaalsContact CA-CE2 3.44Å; L614-F663 HydrophobicContact CB-CE2 3.84Å; L614-F663 HydrophobicContact CB-CZ 4.5Å; L614-F663 HydrophobicContact CD1-CE2 3.81Å; L614-F663 HydrophobicContact CD1-CZ 3.75Å; L614-F663 HydrophobicContact CG-CE2 4.45Å
615	M	97.5	Very high	94.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.1	-50.7	174	174	178.2	76.9	0	0	111.7	V573 L575 I583 A585 I599 T601 D611 F612 W617 E618 Q619 V734	V573-M615 HydrophobicContact CB-SD 4.37Å; V573-M615 HydrophobicContact CG1-CG 4Å; V573-M615 HydrophobicContact CG1-SD 4.24Å; V573-M615 HydrophobicContact CG2-SD 4.12Å; L575-M615 HydrophobicContact CD2-CB 3.87Å; I583-M615 HydrophobicContact CD1-CB 4.07Å; I583-M615 HydrophobicContact CD1-CE 4.29Å; I583-M615 HydrophobicContact CD1-SD 3.96Å; I583-M615 HydrophobicContact CG2-SD 4.39Å; A585-M615 HydrophobicContact CB-CE 4.47Å; A585-M615 HydrophobicContact CB-SD 3.54Å; A585-M615 VanDerWaalsContact CB-SD 3.54Å; I599-M615 HydrophobicContact CD1-CG 4.4Å; I599-M615 HydrophobicContact CG2-CE 3.97Å; I599-M615 HydrophobicContact CG2-SD 3.67Å; T601-M615 HydrophobicContact CG2-CE 4.04Å; D611-M615 WeakPolarHBondContact O-CB 3.36Å; D611-M615 PolarHBondContact O-N 3Å; F612-M615 HydrophobicContact CD2-CE 3.97Å; F612-M615 HydrophobicContact CE2-CE 4.15Å; F612-M615 WeakPolarHBondContact O-CB 3.23Å; F612-M615 PolarHBondContact O-N 2.93Å; M615-W617 PolarHBondContact O-N 2.88Å; M615-E618 PolarHBondContact O-N 3.35Å; M615-Q619 HydrophobicContact CG-CG 4.18Å; M615-Q619 VanDerWaalsContact O-CB 3.3Å; M615-Q619 WeakPolarHBondContact O-CB 3.38Å; M615-Q619 VanDerWaalsContact O-CG 3.29Å; M615-Q619 WeakPolarHBondContact O-CG 3.32Å; M615-Q619 PolarHBondContact O-N 3.22Å; M615-V734 HydrophobicContact CE-CG1 4.04Å; M615-V734 HydrophobicContact CE-CG2 4.45Å
616	V	97	Very high	95	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-55.1	-42.2	177.7	168.6	0	0	0	0	110.4	F612 W613 G620 C621 I624 L684 V695 V734	F612-V616 HydrophobicContact CD1-CG2 4.31Å; F612-V616 HydrophobicContact CE1-CG2 3.93Å; F612-V616 HydrophobicContact CZ-CG2 4.23Å; F612-V616 WeakPolarHBondContact O-CG2 3.49Å; F612-V616 PolarHBondContact O-N 3.41Å; W613-V616 HydrophobicContact CE3-CB 4.31Å; W613-V616 HydrophobicContact CE3-CG1 4.22Å; W613-V616 HydrophobicContact CZ3-CG1 4.28Å; W613-V616 PolarHBondContact O-N 3.25Å; V616-G620 PolarHBondContact O-N 2.66Å; V616-C621 HydrophobicContact CB-CB 4.49Å; V616-C621 HydrophobicContact CG1-CB 4.13Å; V616-C621 PolarHBondContact O-N 2.65Å; V616-I624 HydrophobicContact CG2-CD1 4.09Å; V616-L684 HydrophobicContact CG1-CD2 4.17Å; V616-V695 HydrophobicContact CG1-CG1 4.4Å; V616-V695 HydrophobicContact CG1-CG2 4.14Å; V616-V734 HydrophobicContact CG2-CG2 4.31Å
617	W	95.3	Very high	95.5	Very high	22 Å²	22	17.4 Å²	17.4	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-67.8	-52.5	177.9	-173.3	-94.6	0	0	0	113.2	W613 L614 M615 Q619 G620 F663 L684 E691 R693	W613-W617 WeakPolarHBondContact O-CB 3.34Å; W613-W617 PolarHBondContact O-N 3.33Å; L614-W617 WeakPolarHBondContact O-CB 3.5Å; L614-W617 PolarHBondContact O-N 3.06Å; M615-W617 PolarHBondContact O-N 2.88Å; W617-Q619 VanDerWaalsContact C-N 3.34Å; W617-Q619 PolarHBondContact O-N 2.61Å; W617-G620 PolarHBondContact O-N 3.45Å; W617-F663 HydrophobicContact CB-CD1 4.38Å; W617-F663 HydrophobicContact CB-CE1 3.54Å; W617-F663 HydrophobicContact CB-CE2 4.44Å; W617-F663 HydrophobicContact CB-CZ 3.56Å; W617-F663 AromaticContact CD1-CE1 3.81Å; W617-F663 AromaticContact CD1-CZ 3.93Å; W617-F663 HydrophobicContact CD2-CD1 4.19Å; W617-F663 AromaticContact CD2-CE1 3.45Å; W617-F663 HydrophobicContact CD2-CE1 3.45Å; W617-F663 VanDerWaalsContact CD2-CE1 3.45Å; W617-F663 HydrophobicContact CD2-CZ 4.27Å; W617-F663 HydrophobicContact CE3-CD1 4.09Å; W617-F663 AromaticContact CE3-CE1 3.82Å; W617-F663 HydrophobicContact CE3-CE1 3.82Å; W617-F663 HydrophobicContact CG-CD1 4.31Å; W617-F663 AromaticContact CG-CE1 3.29Å; W617-F663 HydrophobicContact CG-CE1 3.29Å; W617-F663 AromaticContact CG-CZ 3.63Å; W617-F663 HydrophobicContact CG-CZ 3.63Å; W617-L684 HydrophobicContact CE3-CD2 3.69Å; W617-L684 HydrophobicContact CE3-CG 3.95Å; W617-L684 HydrophobicContact CZ3-CD2 4.25Å; W617-L684 HydrophobicContact CZ3-CG 4.14Å; W617-E691 HydrophobicContact CH2-CB 3.64Å; W617-E691 VanDerWaalsContact CH2-O 3.3Å; W617-E691 WeakPolarHBondContact CH2-O 3.1Å; W617-E691 HydrophobicContact CZ2-CB 3.67Å; W617-R693 HydrophobicContact CH2-CG 4.15Å; W617-R693 HydrophobicContact CZ3-CB 4.35Å; W617-R693 HydrophobicContact CZ3-CG 3.85Å; W617-R693 PolarHBondContact O-NH1 2.99Å
618	E	94.2	Very high	95.8	Very high	45 Å²	45	12.9 Å²	12.9	21%	0.21	7%	0.074	C	C	.	.	H	α-helix	trans	-69.2	-32.9	-174.5	-70.8	-174.3	161.3	0	0	113	L575 R576 S577 L614 M615 G620	L575-E618 WeakPolarHBondContact CA-OE2 3.11Å; R576-E618 PolarHBondContact N-OE1 3.3Å; R576-E618 PolarHBondContact N-OE2 3.05Å; S577-E618 WeakPolarHBondContact CB-OE1 3.16Å; S577-E618 PolarHBondContact N-OE1 3.26Å; S577-E618 PolarHBondContact OG-OE1 2.83Å; L614-E618 HydrophobicContact CD1-CG 3.89Å; L614-E618 HydrophobicContact CG-CG 4.33Å; L614-E618 WeakPolarHBondContact O-CB 3.42Å; L614-E618 WeakPolarHBondContact O-CG 3.3Å; L614-E618 PolarHBondContact O-N 3.43Å; M615-E618 PolarHBondContact O-N 3.35Å; E618-G620 VanDerWaalsContact C-N 3.3Å
619	Q	92.8	Very high	96	Very high	46 Å²	46	14 Å²	14	22%	0.215	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1	-179.5	-59.3	-59.1	-41.8	0	0	113.4	V573 I599 M615 W617 C621 P732	V573-Q619 HydrophobicContact CG1-CG 4.21Å; I599-Q619 HydrophobicContact CD1-CB 3.77Å; I599-Q619 HydrophobicContact CD1-CG 3.72Å; M615-Q619 HydrophobicContact CG-CG 4.18Å; M615-Q619 VanDerWaalsContact O-CB 3.3Å; M615-Q619 WeakPolarHBondContact O-CB 3.38Å; M615-Q619 VanDerWaalsContact O-CG 3.29Å; M615-Q619 WeakPolarHBondContact O-CG 3.32Å; M615-Q619 PolarHBondContact O-N 3.22Å; W617-Q619 VanDerWaalsContact C-N 3.34Å; W617-Q619 PolarHBondContact O-N 2.61Å; Q619-C621 VanDerWaalsContact CB-SG 3.56Å; Q619-C621 PolarHBondContact O-N 3.47Å; Q619-P732 HydrophobicContact CB-CG 4.41Å; Q619-P732 WeakPolarHBondContact O-CD 3.27Å
620	G	90.8	Very high	95.9	Very high	27 Å²	27	17.5 Å²	17.5	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	20.4	178.6	0	0	0	0	0	113.8	V616 W617 E618 V622 S731	V616-G620 PolarHBondContact O-N 2.66Å; W617-G620 PolarHBondContact O-N 3.45Å; E618-G620 VanDerWaalsContact C-N 3.3Å; G620-V622 PolarHBondContact O-N 2.73Å; G620-S731 WeakPolarHBondContact O-CB 2.88Å; G620-S731 PolarHBondContact O-OG 3.21Å
621	C	94.1	Very high	95.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	11%	0.113	C	C	.	.			trans	-68.1	129.2	-174.6	-57.4	0	0	0	0	111	V616 Q619 S731 V734	V616-C621 HydrophobicContact CB-CB 4.49Å; V616-C621 HydrophobicContact CG1-CB 4.13Å; V616-C621 PolarHBondContact O-N 2.65Å; Q619-C621 VanDerWaalsContact CB-SG 3.56Å; Q619-C621 PolarHBondContact O-N 3.47Å; C621-S731 WeakPolarHBondContact CA-OG 3.48Å; C621-V734 HydrophobicContact CB-CG2 3.77Å; C621-V734 VanDerWaalsContact SG-CG2 3.51Å
622	V	94.9	Very high	95.6	Very high	20 Å²	20	22.1 Å²	22.1	12%	0.121	12%	0.119	C	C	.	.			trans	-114.6	-8.4	174.8	-59.3	0	0	0	0	113.2	G620 V695 T696 F726 S731	G620-V622 PolarHBondContact O-N 2.73Å; V622-V695 WeakPolarHBondContact O-CA 3.24Å; V622-T696 PolarHBondContact O-N 3.32Å; V622-F726 HydrophobicContact CG2-CD1 4.2Å; V622-F726 HydrophobicContact CG2-CE1 4.47Å; V622-S731 PolarHBondContact N-OG 3.09Å
623	V	97.2	Very high	95.4	Very high	3 Å²	3	23 Å²	23	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.2	178.7	-176	0	0	0	0	110	T696 F698 V722 I733 V734	V623-T696 WeakPolarHBondContact CA-O 3.37Å; V623-F698 HydrophobicContact CG1-CD2 3.85Å; V623-F698 HydrophobicContact CG1-CE2 3.95Å; V623-V722 HydrophobicContact CG1-CG1 4.13Å; V623-I733 HydrophobicContact CB-CG1 4.24Å; V623-I733 HydrophobicContact CB-CG2 4.38Å; V623-I733 HydrophobicContact CG1-CG1 4.4Å; V623-I733 HydrophobicContact CG1-CG2 4.02Å; V623-V734 PolarHBondContact O-N 3.16Å; V623-V734 VanDerWaalsContact O-N 3.08Å
624	I	98.4	Very high	95.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	172	-57.4	171.6	0	0	0	108.6	F612 W613 V616 Y651 V695 T696 Q697 F698 V734	F612-I624 HydrophobicContact CE1-CD1 4.08Å; F612-I624 HydrophobicContact CZ-CD1 4.16Å; F612-I624 HydrophobicContact CZ-CG2 4.26Å; W613-I624 HydrophobicContact CH2-CD1 4.35Å; W613-I624 HydrophobicContact CZ3-CD1 4.33Å; V616-I624 HydrophobicContact CG2-CD1 4.09Å; I624-Y651 WeakPolarHBondContact CG2-OH 3.45Å; I624-V695 HydrophobicContact CD1-CG1 3.65Å; I624-V695 HydrophobicContact CG1-CG1 3.88Å; I624-T696 PolarHBondContact N-O 3.28Å; I624-Q697 HydrophobicContact CB-CB 4.31Å; I624-Q697 HydrophobicContact CB-CG 4.32Å; I624-Q697 HydrophobicContact CG2-CG 4.29Å; I624-Q697 CarbonylContact O-C 3.49Å; I624-Q697 VanDerWaalsContact O-CA 3.32Å; I624-Q697 WeakPolarHBondContact O-CA 3.3Å; I624-F698 PolarHBondContact O-N 2.81Å; I624-V734 CarbonylContact C-O 3.44Å; I624-V734 WeakPolarHBondContact CA-O 3.36Å; I624-V734 HydrophobicContact CG1-CB 4.25Å; I624-V734 HydrophobicContact CG2-CB 4.48Å; I624-V734 HydrophobicContact CG2-CG1 4.49Å
625	V	98.6	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.1	172.3	175.2	0	0	0	0	108.2	L627 F698 F718 V722 I733 V734 V735 H736 Y747	V625-L627 HydrophobicContact CG1-CD2 3.85Å; V625-L627 HydrophobicContact CG1-CG 4.02Å; V625-F698 CarbonylContact C-O 3.55Å; V625-F698 WeakPolarHBondContact CA-O 3.2Å; V625-F718 HydrophobicContact CG1-CE1 3.79Å; V625-F718 HydrophobicContact CG1-CZ 3.95Å; V625-V722 HydrophobicContact CG2-CG1 3.95Å; V625-V722 HydrophobicContact CG2-CG2 4.02Å; V625-I733 HydrophobicContact CG2-CG2 3.77Å; V625-V734 PolarHBondContact N-O 3.33Å; V625-V735 HydrophobicContact CB-CB 4.42Å; V625-V735 HydrophobicContact CB-CG1 4.17Å; V625-V735 HydrophobicContact CB-CG2 4.19Å; V625-V735 HydrophobicContact CG1-CG1 4.07Å; V625-V735 WeakPolarHBondContact O-CA 3.26Å; V625-H736 PolarHBondContact O-CD2 2.91Å; V625-H736 PolarHBondContact O-N 3.28Å; V625-Y747 HydrophobicContact CB-CE1 4.35Å; V625-Y747 HydrophobicContact CG1-CD1 4.17Å; V625-Y747 HydrophobicContact CG1-CE1 3.91Å; V625-Y747 HydrophobicContact CG1-CE2 4.37Å; V625-Y747 HydrophobicContact CG1-CG 4.5Å; V625-Y747 HydrophobicContact CG2-CE1 4.05Å
626	C	98.3	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.9	176.2	176.8	0	0	0	0	109.1	Q697 F698 H699 Y700 H736	C626-Q697 HydrophobicContact CB-CG 4.38Å; C626-F698 PolarHBondContact N-O 3.34Å; C626-H699 HydrophobicContact CB-CB 4.16Å; C626-H699 CarbonylContact O-C 3.59Å; C626-H699 WeakPolarHBondContact O-CA 3.42Å; C626-Y700 PolarHBondContact O-N 3.03Å; C626-H736 WeakPolarHBondContact CA-NE2 3.39Å; C626-H736 VanDerWaalsContact CB-NE2 3.32Å; C626-H736 WeakPolarHBondContact CB-NE2 3.28Å; C626-H736 PolarHBondContact SG-CE1 2.97Å
627	L	97.9	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	-106.1	1.2	179.2	-57.2	170.7	0	0	0	112.7	V625 W703 F718 V735 H736 C737 R743 Y747	V625-L627 HydrophobicContact CG1-CD2 3.85Å; V625-L627 HydrophobicContact CG1-CG 4.02Å; L627-W703 HydrophobicContact CD2-CE3 4.39Å; L627-F718 HydrophobicContact CD2-CE1 4.48Å; L627-V735 HydrophobicContact CD1-CG1 3.91Å; L627-H736 PolarHBondContact N-O 3.39Å; L627-C737 HydrophobicContact CB-CB 4.23Å; L627-R743 HydrophobicContact CB-CB 4.1Å; L627-R743 HydrophobicContact CD1-CB 4.07Å; L627-R743 WeakPolarHBondContact CD1-O 3.5Å; L627-R743 PolarHBondContact O-NH1 3.17Å; L627-Y747 HydrophobicContact CD1-CG 4.18Å; L627-Y747 HydrophobicContact CD2-CD2 4.4Å
628	E	95.3	Very high	93.1	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.033	22%	0.215	C	C	.	.	S	Bend	trans	-77.3	131.4	170.5	-158.4	66.6	-164.1	0	0	109	E632 L633 H699 C738 R743	E628-E632 HydrophobicContact CG-CB 3.89Å; E628-E632 WeakPolarHBondContact OE1-CB 3.29Å; E628-L633 HydrophobicContact CB-CD1 4.39Å; E628-L633 HydrophobicContact CB-CD2 4.21Å; E628-L633 HydrophobicContact CB-CG 4.24Å; E628-L633 HydrophobicContact CG-CD2 3.87Å; E628-L633 HydrophobicContact CG-CG 3.89Å; E628-H699 PolarHBondContact O-CD2 2.89Å; E628-H699 PolarHBondContact O-NE2 2.92Å; E628-C738 WeakPolarHBondContact OE2-CA 3.5Å; E628-C738 WeakPolarHBondContact OE2-CB 3.44Å; E628-C738 PolarHBondContact OE2-N 2.84Å; E628-R743 IonicContact OE1-NH2 3.2Å; E628-R743 PolarHBondContact OE1-NH2 2.97Å; E628-R743 IonicContact OE2-CZ 3.25Å; E628-R743 IonicContact OE2-NH2 3.47Å; E628-R743 PolarHBondContact OE2-NH2 3.38Å
629	R	94.8	Very high	92.7	Very high	30 Å²	30	41.6 Å²	41.6	11%	0.113	21%	0.211	C	C	.	.			trans	-73.6	160.6	179.5	-56.1	-167.3	-54.5	-75.7	-9.5	110.7	D631 E632 L633 L701 W703	R629-D631 VanDerWaalsContact C-N 3.32Å; R629-D631 WeakPolarHBondContact CB-OD1 3.3Å; R629-D631 IonicContact CZ-OD1 2.98Å; R629-D631 IonicContact CZ-OD2 3.34Å; R629-D631 IonicContact NE-OD1 2.82Å; R629-D631 PolarHBondContact NE-OD1 2.92Å; R629-D631 IonicContact NE-OD2 3.78Å; R629-D631 PolarHBondContact NE-OD2 3.35Å; R629-D631 IonicContact NH2-OD1 2.69Å; R629-D631 IonicContact NH2-OD2 2.67Å; R629-D631 PolarHBondContact NH2-OD2 3.2Å; R629-D631 PolarHBondContact O-N 2.62Å; R629-E632 HydrophobicContact CB-CG 4.16Å; R629-E632 VanDerWaalsContact CZ-CD 3.4Å; R629-E632 IonicContact CZ-OE1 3.21Å; R629-E632 IonicContact CZ-OE2 3.75Å; R629-E632 PolarHBondContact N-OE2 3.14Å; R629-E632 IonicContact NH1-OE1 2.88Å; R629-E632 PolarHBondContact NH1-OE1 3.15Å; R629-E632 IonicContact NH1-OE2 3.56Å; R629-E632 VanDerWaalsContact NH2-CD 3.35Å; R629-E632 IonicContact NH2-OE1 3.02Å; R629-E632 PolarHBondContact NH2-OE1 3.22Å; R629-E632 WeakPolarHBondContact O-CB 3.47Å; R629-E632 PolarHBondContact O-N 2.96Å; R629-E632 VanDerWaalsContact O-N 3.1Å; R629-L633 WeakPolarHBondContact O-CG 3.47Å; R629-L633 PolarHBondContact O-N 3.42Å; R629-L701 WeakPolarHBondContact CD-O 3.3Å; R629-L701 WeakPolarHBondContact CG-O 3.27Å; R629-W703 WeakPolarHBondContact CD-O 3.37Å; R629-W703 PolarHBondContact NH1-O 3.42Å; R629-W703 VanDerWaalsContact NH1-O 3.11Å
630	T	92.4	Very high	92.2	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-66.5	-32.7	-179.5	-63.2	0	0	0	0	112.7	E632 L633 H699 L701	T630-E632 PolarHBondContact O-N 2.88Å; T630-L633 PolarHBondContact O-N 2.96Å; T630-H699 PolarHBondContact OG1-CE1 3.12Å; T630-H699 VanDerWaalsContact OG1-CE1 3.31Å; T630-L701 WeakPolarHBondContact OG1-CD2 3.13Å
631	D	91.8	Very high	91.6	Very high	116 Å²	116	51.1 Å²	51.1	62%	0.62	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-68.9	-15.6	174.5	59.5	-52.1	0	0	0	113.6	R629	R629-D631 VanDerWaalsContact C-N 3.32Å; R629-D631 WeakPolarHBondContact CB-OD1 3.3Å; R629-D631 IonicContact CZ-OD1 2.98Å; R629-D631 IonicContact CZ-OD2 3.34Å; R629-D631 IonicContact NE-OD1 2.82Å; R629-D631 PolarHBondContact NE-OD1 2.92Å; R629-D631 IonicContact NE-OD2 3.78Å; R629-D631 PolarHBondContact NE-OD2 3.35Å; R629-D631 IonicContact NH2-OD1 2.69Å; R629-D631 IonicContact NH2-OD2 2.67Å; R629-D631 PolarHBondContact NH2-OD2 3.2Å; R629-D631 PolarHBondContact O-N 2.62Å
632	E	93.3	Very high	90.9	Very high	51 Å²	51	60.8 Å²	60.8	24%	0.238	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-94.9	-8.7	177.8	-59.4	174.6	146.8	0	0	112.4	E628 R629 T630 S648 R743	E628-E632 HydrophobicContact CG-CB 3.89Å; E628-E632 WeakPolarHBondContact OE1-CB 3.29Å; R629-E632 HydrophobicContact CB-CG 4.16Å; R629-E632 VanDerWaalsContact CZ-CD 3.4Å; R629-E632 IonicContact CZ-OE1 3.21Å; R629-E632 IonicContact CZ-OE2 3.75Å; R629-E632 PolarHBondContact N-OE2 3.14Å; R629-E632 IonicContact NH1-OE1 2.88Å; R629-E632 PolarHBondContact NH1-OE1 3.15Å; R629-E632 IonicContact NH1-OE2 3.56Å; R629-E632 VanDerWaalsContact NH2-CD 3.35Å; R629-E632 IonicContact NH2-OE1 3.02Å; R629-E632 PolarHBondContact NH2-OE1 3.22Å; R629-E632 WeakPolarHBondContact O-CB 3.47Å; R629-E632 PolarHBondContact O-N 2.96Å; R629-E632 VanDerWaalsContact O-N 3.1Å; T630-E632 PolarHBondContact O-N 2.88Å; E632-S648 VanDerWaalsContact O-CB 3.28Å; E632-S648 WeakPolarHBondContact O-CB 3.32Å; E632-R743 IonicContact OE1-NH1 3.22Å; E632-R743 IonicContact OE1-NH2 2.92Å; E632-R743 IonicContact OE2-CZ 2.81Å; E632-R743 IonicContact OE2-NH1 2.62Å; E632-R743 PolarHBondContact OE2-NH1 3.27Å; E632-R743 IonicContact OE2-NH2 3.33Å; E632-R743 PolarHBondContact OE2-NH2 3.45Å
633	L	94	Very high	90.2	Very high	20 Å²	20	62.9 Å²	62.9	11%	0.105	30%	0.303	C	S	.	.			trans	-105.1	116.8	-177.3	-69.2	166.3	0	0	0	111.1	T603 E628 R629 T630 W652	T603-L633 HydrophobicContact CG2-CD2 3.66Å; E628-L633 HydrophobicContact CB-CD1 4.39Å; E628-L633 HydrophobicContact CB-CD2 4.21Å; E628-L633 HydrophobicContact CB-CG 4.24Å; E628-L633 HydrophobicContact CG-CD2 3.87Å; E628-L633 HydrophobicContact CG-CG 3.89Å; R629-L633 WeakPolarHBondContact O-CG 3.47Å; R629-L633 PolarHBondContact O-N 3.42Å; T630-L633 PolarHBondContact O-N 2.96Å; L633-W652 HydrophobicContact CD1-CH2 3.53Å; L633-W652 HydrophobicContact CD1-CZ2 4.49Å; L633-W652 HydrophobicContact CD1-CZ3 4.17Å
634	K	91.9	Very high	89.3	Confident	75 Å²	75	65.5 Å²	65.5	33%	0.326	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-84.4	147.5	175.4	-61.2	-167.1	178.6	-168	0	111.6	I639 E643 S648 V649 K650	K634-I639 HydrophobicContact CB-CD1 4.43Å; K634-I639 HydrophobicContact CB-CG1 3.98Å; K634-I639 HydrophobicContact CD-CG1 4.45Å; K634-E643 IonicContact NZ-OE1 2.82Å; K634-E643 PolarHBondContact NZ-OE1 3.45Å; K634-E643 IonicContact NZ-OE2 2.64Å; K634-E643 PolarHBondContact NZ-OE2 2.77Å; K634-S648 PolarHBondContact N-O 3.39Å; K634-V649 CarbonylContact O-C 3.53Å; K634-V649 WeakPolarHBondContact O-CA 3.23Å; K634-K650 PolarHBondContact O-N 3.35Å
635	R	89.2	Confident	88.1	Confident	105 Å²	105	69 Å²	69	40%	0.396	34%	0.335	S	S	.	.			trans	-75	151.5	167.6	-58	-173.7	-73.9	147.5	-4.4	109.8	D637 E638 I639	R635-D637 WeakPolarHBondContact CB-OD1 3.44Å; R635-D637 IonicContact CZ-OD2 3.69Å; R635-D637 IonicContact NH1-OD1 3.91Å; R635-D637 IonicContact NH1-OD2 3.22Å; R635-D637 PolarHBondContact NH1-OD2 3.41Å; R635-D637 PolarHBondContact O-N 3.43Å; R635-D637 VanDerWaalsContact O-N 3.16Å; R635-E638 HydrophobicContact CB-CG 4.08Å; R635-E638 WeakPolarHBondContact CB-OE2 3.41Å; R635-E638 IonicContact CZ-OE1 3.11Å; R635-E638 PolarHBondContact N-OE2 3.32Å; R635-E638 VanDerWaalsContact NE-CD 3.33Å; R635-E638 IonicContact NE-OE1 2.76Å; R635-E638 PolarHBondContact NE-OE1 2.83Å; R635-E638 IonicContact NE-OE2 3.77Å; R635-E638 IonicContact NH2-OE1 2.68Å; R635-E638 PolarHBondContact NH2-OE1 2.9Å; R635-E638 PolarHBondContact O-N 2.65Å; R635-I639 WeakPolarHBondContact O-CG1 3.49Å
636	M	84.5	Confident	87.4	Confident	65 Å²	65	73.3 Å²	73.3	32%	0.32	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58.4	-32.2	-175.8	-162.4	70.9	74.4	0	0	112.7	V606 V609 E638 I639 V649	V606-M636 HydrophobicContact CB-SD 3.9Å; V606-M636 HydrophobicContact CG1-SD 3.57Å; V606-M636 VanDerWaalsContact CG1-SD 3.57Å; V606-M636 HydrophobicContact CG2-SD 3.58Å; V606-M636 VanDerWaalsContact CG2-SD 3.58Å; V609-M636 HydrophobicContact CG2-CE 3.97Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-I639 HydrophobicContact SD-CD1 4.38Å; M636-V649 HydrophobicContact CE-CG2 4.05Å
637	D	84.2	Confident	86.9	Confident	119 Å²	119	73.9 Å²	73.9	64%	0.636	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-77.3	-10.5	178.2	55.6	-42.6	0	0	0	114.4	R635	R635-D637 WeakPolarHBondContact CB-OD1 3.44Å; R635-D637 IonicContact CZ-OD2 3.69Å; R635-D637 IonicContact NH1-OD1 3.91Å; R635-D637 IonicContact NH1-OD2 3.22Å; R635-D637 PolarHBondContact NH1-OD2 3.41Å; R635-D637 PolarHBondContact O-N 3.43Å; R635-D637 VanDerWaalsContact O-N 3.16Å
638	E	86.8	Confident	86.7	Confident	90 Å²	90	74.3 Å²	74.3	42%	0.421	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-100.5	1.1	-178.4	-63.8	170.6	162.5	0	0	113.2	R635 M636	R635-E638 HydrophobicContact CB-CG 4.08Å; R635-E638 WeakPolarHBondContact CB-OE2 3.41Å; R635-E638 IonicContact CZ-OE1 3.11Å; R635-E638 PolarHBondContact N-OE2 3.32Å; R635-E638 VanDerWaalsContact NE-CD 3.33Å; R635-E638 IonicContact NE-OE1 2.76Å; R635-E638 PolarHBondContact NE-OE1 2.83Å; R635-E638 IonicContact NE-OE2 3.77Å; R635-E638 IonicContact NH2-OE1 2.68Å; R635-E638 PolarHBondContact NH2-OE1 2.9Å; R635-E638 PolarHBondContact O-N 2.65Å; M636-E638 VanDerWaalsContact C-N 3.32Å
639	I	84.8	Confident	86.6	Confident	23 Å²	23	74 Å²	74	12%	0.118	36%	0.364	C	S	.	.			trans	-94.1	118.1	-171.1	-63.1	166.6	0	0	0	110.3	V606 K634 R635 M636 E643 L644 A647 V649	V606-I639 HydrophobicContact CG2-CD1 3.44Å; V606-I639 VanDerWaalsContact CG2-CD1 3.44Å; V606-I639 HydrophobicContact CG2-CG2 4.17Å; K634-I639 HydrophobicContact CB-CD1 4.43Å; K634-I639 HydrophobicContact CB-CG1 3.98Å; K634-I639 HydrophobicContact CD-CG1 4.45Å; R635-I639 WeakPolarHBondContact O-CG1 3.49Å; M636-I639 HydrophobicContact SD-CD1 4.38Å; I639-E643 HydrophobicContact CG2-CB 4.14Å; I639-L644 HydrophobicContact CG2-CD2 4.16Å; I639-L644 HydrophobicContact CG2-CG 4.47Å; I639-A647 HydrophobicContact CD1-CB 4.35Å; I639-A647 HydrophobicContact CG1-CB 4.38Å; I639-A647 HydrophobicContact CG2-CB 4.33Å; I639-V649 HydrophobicContact CD1-CB 3.96Å; I639-V649 HydrophobicContact CD1-CG1 3.23Å
640	D	83.7	Confident	86.6	Confident	109 Å²	109	74.6 Å²	74.6	58%	0.583	37%	0.368	S	S	*	.			trans	-71.7	154.3	172.3	-73	-33	0	0	0	111.5	F642 E643 L644	D640-F642 PolarHBondContact O-N 3.38Å; D640-E643 PolarHBondContact O-N 2.99Å; D640-L644 PolarHBondContact O-N 3.37Å
641	Q	77.9	Confident	86.8	Confident	165 Å²	165	71 Å²	71	77%	0.771	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.2	-178.2	-67.3	-175.2	1	0	0	113.5	E643 L644	Q641-E643 VanDerWaalsContact C-N 3.31Å; Q641-E643 PolarHBondContact O-N 3Å; Q641-L644 HydrophobicContact CB-CD1 4.33Å; Q641-L644 WeakPolarHBondContact O-CD1 3.5Å; Q641-L644 WeakPolarHBondContact O-CG 3.48Å
642	F	79.6	Confident	87	Confident	203 Å²	203	65.8 Å²	65.8	89%	0.89	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.5	-179.8	-59.1	-74.5	0	0	0	113.5	D640	D640-F642 PolarHBondContact O-N 3.38Å
643	E	80.2	Confident	87.1	Confident	65 Å²	65	63.5 Å²	63.5	30%	0.304	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.7	-175.8	-58	-174.9	154	0	0	113.4	K634 I639 D640 Q641 N645 D646 A647	K634-E643 IonicContact NZ-OE1 2.82Å; K634-E643 PolarHBondContact NZ-OE1 3.45Å; K634-E643 IonicContact NZ-OE2 2.64Å; K634-E643 PolarHBondContact NZ-OE2 2.77Å; I639-E643 HydrophobicContact CG2-CB 4.14Å; D640-E643 PolarHBondContact O-N 2.99Å; Q641-E643 VanDerWaalsContact C-N 3.31Å; Q641-E643 PolarHBondContact O-N 3Å; E643-N645 PolarHBondContact O-N 3.49Å; E643-D646 PolarHBondContact O-N 3.01Å; E643-A647 HydrophobicContact CB-CB 4.14Å; E643-A647 WeakPolarHBondContact O-CB 3.33Å; E643-A647 PolarHBondContact O-N 2.93Å
644	L	76.9	Confident	86.9	Confident	58 Å²	58	66.8 Å²	66.8	30%	0.304	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-32.3	-173.5	-77.9	168.7	0	0	0	115	V606 I639 D640 Q641	V606-L644 HydrophobicContact CB-CD2 4.22Å; V606-L644 HydrophobicContact CG1-CD2 4.09Å; V606-L644 HydrophobicContact CG2-CD2 4Å; I639-L644 HydrophobicContact CG2-CD2 4.16Å; I639-L644 HydrophobicContact CG2-CG 4.47Å; D640-L644 PolarHBondContact O-N 3.37Å; Q641-L644 HydrophobicContact CB-CD1 4.33Å; Q641-L644 WeakPolarHBondContact O-CD1 3.5Å; Q641-L644 WeakPolarHBondContact O-CG 3.48Å
645	N	75.1	Confident	86.9	Confident	74 Å²	74	71 Å²	71	40%	0.396	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.1	-175.3	-59.6	-34.2	0	0	0	113.9	T605 K607 E643	T605-N645 WeakPolarHBondContact CG2-O 3.22Å; K607-N645 PolarHBondContact NZ-OD1 3.33Å; E643-N645 PolarHBondContact O-N 3.49Å
646	D	83.5	Confident	87.2	Confident	89 Å²	89	68.4 Å²	68.4	48%	0.476	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-10.6	-171.5	-150.7	47.2	0	0	0	113.5	R561 G562 E643 S648	R561-D646 WeakPolarHBondContact CB-OD1 3.35Å; R561-D646 PolarHBondContact NH1-O 3.3Å; G562-D646 PolarHBondContact N-OD1 3.38Å; E643-D646 PolarHBondContact O-N 3.01Å; D646-S648 PolarHBondContact O-N 3.03Å
647	A	88	Confident	87.7	Confident	12 Å²	12	67.8 Å²	67.8	10%	0.099	35%	0.353	C	S	.	.			trans	-66.4	133	174.5	0	0	0	0	0	111.9	R561 I639 E643 V649	R561-A647 PolarHBondContact NH2-O 3.45Å; I639-A647 HydrophobicContact CD1-CB 4.35Å; I639-A647 HydrophobicContact CG1-CB 4.38Å; I639-A647 HydrophobicContact CG2-CB 4.33Å; E643-A647 HydrophobicContact CB-CB 4.14Å; E643-A647 WeakPolarHBondContact O-CB 3.33Å; E643-A647 PolarHBondContact O-N 2.93Å; A647-V649 HydrophobicContact CB-CG1 4.25Å; A647-V649 WeakPolarHBondContact O-CG1 3.39Å; A647-V649 PolarHBondContact O-N 3.05Å
648	S	92.6	Very high	88.3	Confident	10 Å²	10	65.9 Å²	65.9	7%	0.07	34%	0.341	C	S	.	.			trans	-72.1	117.3	163.5	-70.9	0	0	0	0	109.1	R561 E632 K634 D646	R561-S648 PolarHBondContact NH1-OG 2.92Å; R561-S648 VanDerWaalsContact NH2-CA 3.27Å; E632-S648 VanDerWaalsContact O-CB 3.28Å; E632-S648 WeakPolarHBondContact O-CB 3.32Å; K634-S648 PolarHBondContact N-O 3.39Å; D646-S648 PolarHBondContact O-N 3.03Å
649	V	93.8	Very high	88.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-114.5	145.2	-172.6	-40.7	0	0	0	0	111.6	P604 V606 V609 K634 M636 I639 A647 Y651	P604-V649 PolarHBondContact O-N 2.86Å; V606-V649 HydrophobicContact CG2-CG1 3.78Å; V609-V649 HydrophobicContact CG2-CG2 3.46Å; V609-V649 VanDerWaalsContact CG2-CG2 3.46Å; K634-V649 CarbonylContact O-C 3.53Å; K634-V649 WeakPolarHBondContact O-CA 3.23Å; M636-V649 HydrophobicContact CE-CG2 4.05Å; I639-V649 HydrophobicContact CD1-CB 3.96Å; I639-V649 HydrophobicContact CD1-CG1 3.23Å; A647-V649 HydrophobicContact CB-CG1 4.25Å; A647-V649 WeakPolarHBondContact O-CG1 3.39Å; A647-V649 PolarHBondContact O-N 3.05Å; V649-Y651 PolarHBondContact O-N 2.85Å
650	K	95.1	Very high	89.3	Confident	43 Å²	43	64.8 Å²	64.8	19%	0.187	34%	0.34	C	S	.	.			trans	-66.4	118.1	169.1	-167	172.7	-172.2	161	0	109.4	K634 W652 N654	K634-K650 PolarHBondContact O-N 3.35Å; K650-W652 HydrophobicContact CD-CZ2 4.38Å; K650-W652 HydrophobicContact CG-CD2 3.8Å; K650-W652 HydrophobicContact CG-CE3 3.99Å; K650-W652 HydrophobicContact CG-CG 4.34Å; K650-W652 HydrophobicContact CG-CH2 4.25Å; K650-W652 HydrophobicContact CG-CZ2 4.04Å; K650-W652 HydrophobicContact CG-CZ3 4.21Å; K650-N654 WeakPolarHBondContact CD-OD1 3.37Å; K650-N654 WeakPolarHBondContact CE-OD1 3.42Å; K650-N654 PolarHBondContact NZ-OD1 2.88Å
651	Y	96	Very high	89.7	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.			trans	-104.3	14.9	-175.2	62.4	-94.2	0	0	0	113.3	P604 F612 W613 I624 V649 Y660 Q697 H736	P604-Y651 HydrophobicContact CG-CD1 3.82Å; P604-Y651 HydrophobicContact CG-CE1 4.44Å; P604-Y651 HydrophobicContact CG-CG 4.02Å; F612-Y651 AromaticContact CD1-CD2 3.92Å; F612-Y651 HydrophobicContact CD1-CD2 3.92Å; F612-Y651 HydrophobicContact CD1-CE2 4.19Å; F612-Y651 HydrophobicContact CD1-CG 4.47Å; F612-Y651 AromaticContact CE1-CD2 3.57Å; F612-Y651 HydrophobicContact CE1-CD2 3.57Å; F612-Y651 AromaticContact CE1-CE2 3.37Å; F612-Y651 HydrophobicContact CE1-CE2 3.37Å; F612-Y651 HydrophobicContact CE1-CG 4.38Å; F612-Y651 HydrophobicContact CZ-CD2 4.32Å; F612-Y651 AromaticContact CZ-CE2 3.8Å; F612-Y651 HydrophobicContact CZ-CE2 3.8Å; F612-Y651 AromaticContact CZ-CZ 3.98Å; W613-Y651 AromaticContact CZ2-CD2 3.88Å; W613-Y651 HydrophobicContact CZ2-CD2 3.88Å; W613-Y651 HydrophobicContact CZ2-CE2 4.24Å; W613-Y651 WeakPolarHBondContact CZ2-O 3.34Å; W613-Y651 PolarHBondContact NE1-O 3.41Å; I624-Y651 WeakPolarHBondContact CG2-OH 3.45Å; V649-Y651 PolarHBondContact O-N 2.85Å; Y651-Y660 WeakPolarHBondContact O-CE2 3.39Å; Y651-Q697 PolarHBondContact OH-NE2 3.3Å; Y651-H736 AromaticContact CE1-CE1 3.64Å; Y651-H736 AromaticContact CE1-NE2 3.51Å; Y651-H736 AromaticContact CZ-NE2 3.57Å; Y651-H736 PolarHBondContact OH-NE2 3.12Å
652	W	96.9	Very high	90.5	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	32%	0.319	C	S	.	.	S	Bend	trans	-137.7	152.6	-179.6	66.9	93.2	0	0	0	111.3	L633 K650 Y660 R680 F682 Q697 H699	L633-W652 HydrophobicContact CD1-CH2 3.53Å; L633-W652 HydrophobicContact CD1-CZ2 4.49Å; L633-W652 HydrophobicContact CD1-CZ3 4.17Å; K650-W652 HydrophobicContact CD-CZ2 4.38Å; K650-W652 HydrophobicContact CG-CD2 3.8Å; K650-W652 HydrophobicContact CG-CE3 3.99Å; K650-W652 HydrophobicContact CG-CG 4.34Å; K650-W652 HydrophobicContact CG-CH2 4.25Å; K650-W652 HydrophobicContact CG-CZ2 4.04Å; K650-W652 HydrophobicContact CG-CZ3 4.21Å; W652-Y660 WeakPolarHBondContact CA-OH 3.38Å; W652-Y660 PolarHBondContact N-OH 2.91Å; W652-Y660 PolarHBondContact O-OH 2.82Å; W652-R680 VanDerWaalsContact NE1-NE 3.1Å; W652-F682 HydrophobicContact CB-CE1 3.79Å; W652-F682 HydrophobicContact CB-CE2 4.34Å; W652-F682 HydrophobicContact CB-CZ 3.5Å; W652-F682 VanDerWaalsContact CB-CZ 3.5Å; W652-F682 AromaticContact CD1-CZ 3.78Å; W652-F682 HydrophobicContact CG-CE1 4.21Å; W652-F682 AromaticContact CG-CZ 3.69Å; W652-F682 HydrophobicContact CG-CZ 3.69Å; W652-Q697 VanDerWaalsContact CZ3-NE2 3.31Å; W652-H699 AromaticContact CH2-CE1 3.64Å; W652-H699 AromaticContact CH2-ND1 3.58Å; W652-H699 AromaticContact CZ2-CE1 3.8Å; W652-H699 AromaticContact CZ2-ND1 3.54Å
653	P	95	Very high	91.4	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.019	28%	0.278	C	S	.	.			trans	-67.3	146.3	179.4	27.8	-36.6	0	0	0	111.9	Q658 V665 L667	P653-Q658 HydrophobicContact CB-CB 3.92Å; P653-V665 HydrophobicContact CG-CG1 4.44Å; P653-V665 WeakPolarHBondContact CG-O 3.24Å; P653-L667 HydrophobicContact CG-CB 4.15Å
654	N	90.3	Very high	92.2	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	27%	0.273	S	S	.	.	S	Bend	trans	-70.9	-37.2	170.3	-68.1	-21.9	0	0	0	111.9	K650 L667	K650-N654 WeakPolarHBondContact CD-OD1 3.37Å; K650-N654 WeakPolarHBondContact CE-OD1 3.42Å; K650-N654 PolarHBondContact NZ-OD1 2.88Å; N654-L667 VanDerWaalsContact O-CD2 3.23Å; N654-L667 WeakPolarHBondContact O-CD2 3.48Å
655	E	91.1	Very high	93.3	Very high	164 Å²	164	43.7 Å²	43.7	77%	0.766	26%	0.258	S	S	*	.	S	Bend	trans	-152.9	154.9	-177.4	59.2	-176.8	172.5	0	0	108.9	S657	E655-S657 PolarHBondContact O-N 2.87Å
656	G	94.5	Very high	94.4	Very high	50 Å²	50	42.6 Å²	42.6	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	60.1	-125.6	178.2	0	0	0	0	0	112.8	H666 L667	G656-H666 CarbonylContact O-C 3.57Å; G656-H666 WeakPolarHBondContact O-CA 3.43Å; G656-L667 PolarHBondContact O-N 2.58Å
657	S	96.2	Very high	95.1	Very high	53 Å²	53	39.9 Å²	39.9	37%	0.371	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.2	-178.9	73.2	0	0	0	0	113.6	E655 E664 V665 H666	E655-S657 PolarHBondContact O-N 2.87Å; S657-E664 PolarHBondContact OG-OE1 3.01Å; S657-E664 VanDerWaalsContact OG-OE1 3.13Å; S657-V665 CarbonylContact C-O 3.58Å; S657-V665 WeakPolarHBondContact CA-O 3.47Å; S657-V665 WeakPolarHBondContact CB-O 3.29Å; S657-H666 VanDerWaalsContact CB-CE1 3.42Å; S657-H666 WeakPolarHBondContact CB-CE1 3.41Å; S657-H666 VanDerWaalsContact CB-ND1 3.33Å; S657-H666 WeakPolarHBondContact CB-ND1 3.34Å
658	Q	96.1	Very high	95.4	Very high	79 Å²	79	44 Å²	44	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.4	171.1	-173.9	169.8	4.1	0	0	109.9	P653 Y660 V665	P653-Q658 HydrophobicContact CB-CB 3.92Å; Q658-Y660 HydrophobicContact CB-CE1 4.41Å; Q658-Y660 HydrophobicContact CB-CE2 4.11Å; Q658-Y660 VanDerWaalsContact CD-CE1 3.43Å; Q658-Y660 VanDerWaalsContact CD-CZ 3.48Å; Q658-Y660 HydrophobicContact CG-CD1 4.39Å; Q658-Y660 HydrophobicContact CG-CE1 3.69Å; Q658-Y660 HydrophobicContact CG-CE2 4.25Å; Q658-Y660 PolarHBondContact OE1-OH 3.24Å; Q658-V665 PolarHBondContact N-O 2.91Å; Q658-V665 PolarHBondContact O-N 3.3Å
659	V	96.9	Very high	95.6	Very high	79 Å²	79	45 Å²	45	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.3	178.3	177.7	0	0	0	0	110.2	G661 F663 E664 I687	V659-G661 WeakPolarHBondContact CG1-O 3.29Å; V659-F663 CarbonylContact C-O 3.57Å; V659-F663 WeakPolarHBondContact CA-O 3.44Å; V659-E664 HydrophobicContact CG2-CB 4.26Å; V659-E664 HydrophobicContact CG2-CG 4.04Å; V659-I687 HydrophobicContact CG1-CD1 3.64Å; V659-I687 HydrophobicContact CG2-CD1 4.15Å
660	Y	95.1	Very high	95.7	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	102.7	174.2	-53.5	-67.9	0	0	0	109.6	V609 W613 Y651 W652 Q658 S662 F663 V665	V609-Y660 HydrophobicContact CG1-CD1 3.36Å; V609-Y660 HydrophobicContact CG1-CD2 4.47Å; V609-Y660 HydrophobicContact CG1-CE1 3.93Å; V609-Y660 HydrophobicContact CG1-CG 3.67Å; W613-Y660 AromaticContact CD1-CD2 3.5Å; W613-Y660 VanDerWaalsContact CD1-CD2 3.5Å; W613-Y660 AromaticContact CD1-CG 3.73Å; W613-Y660 HydrophobicContact CG-CD2 4.42Å; W613-Y660 AromaticContact NE1-CD2 3.26Å; W613-Y660 VanDerWaalsContact NE1-CD2 3.26Å; W613-Y660 AromaticContact NE1-CE2 3.67Å; W613-Y660 AromaticContact NE1-CG 3.88Å; Y651-Y660 WeakPolarHBondContact O-CE2 3.39Å; W652-Y660 WeakPolarHBondContact CA-OH 3.38Å; W652-Y660 PolarHBondContact N-OH 2.91Å; W652-Y660 PolarHBondContact O-OH 2.82Å; Q658-Y660 HydrophobicContact CB-CE1 4.41Å; Q658-Y660 HydrophobicContact CB-CE2 4.11Å; Q658-Y660 VanDerWaalsContact CD-CE1 3.43Å; Q658-Y660 VanDerWaalsContact CD-CZ 3.48Å; Q658-Y660 HydrophobicContact CG-CD1 4.39Å; Q658-Y660 HydrophobicContact CG-CE1 3.69Å; Q658-Y660 HydrophobicContact CG-CE2 4.25Å; Q658-Y660 PolarHBondContact OE1-OH 3.24Å; Y660-S662 PolarHBondContact O-N 3.27Å; Y660-F663 PolarHBondContact N-O 3.32Å; Y660-F663 PolarHBondContact O-N 3.19Å; Y660-F663 VanDerWaalsContact O-N 3.16Å; Y660-V665 HydrophobicContact CD2-CB 4.2Å; Y660-V665 HydrophobicContact CD2-CG2 3.62Å; Y660-V665 HydrophobicContact CE2-CB 4.05Å; Y660-V665 HydrophobicContact CE2-CG2 3.93Å
661	G	93.9	Very high	95.6	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-121.1	-172.5	0	0	0	0	0	111.4	V659 F663	V659-G661 WeakPolarHBondContact CG1-O 3.29Å; G661-F663 VanDerWaalsContact C-N 3.31Å
662	S	94.7	Very high	95.3	Very high	57 Å²	57	56 Å²	56	40%	0.399	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.4	-179.3	-66.4	0	0	0	0	114.3	Y660 I687	Y660-S662 PolarHBondContact O-N 3.27Å; S662-I687 WeakPolarHBondContact O-CB 3.08Å; S662-I687 PolarHBondContact O-N 2.98Å
663	F	97.6	Very high	94.2	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.3	-172.2	-58.4	-73.7	0	0	0	111.7	W613 L614 W617 V659 Y660 G661 L684 K685	W613-F663 HydrophobicContact CB-CB 4.31Å; W613-F663 HydrophobicContact CB-CD2 3.88Å; W613-F663 HydrophobicContact CB-CG 4.27Å; L614-F663 VanDerWaalsContact CA-CE2 3.44Å; L614-F663 HydrophobicContact CB-CE2 3.84Å; L614-F663 HydrophobicContact CB-CZ 4.5Å; L614-F663 HydrophobicContact CD1-CE2 3.81Å; L614-F663 HydrophobicContact CD1-CZ 3.75Å; L614-F663 HydrophobicContact CG-CE2 4.45Å; W617-F663 HydrophobicContact CB-CD1 4.38Å; W617-F663 HydrophobicContact CB-CE1 3.54Å; W617-F663 HydrophobicContact CB-CE2 4.44Å; W617-F663 HydrophobicContact CB-CZ 3.56Å; W617-F663 AromaticContact CD1-CE1 3.81Å; W617-F663 AromaticContact CD1-CZ 3.93Å; W617-F663 HydrophobicContact CD2-CD1 4.19Å; W617-F663 AromaticContact CD2-CE1 3.45Å; W617-F663 HydrophobicContact CD2-CE1 3.45Å; W617-F663 VanDerWaalsContact CD2-CE1 3.45Å; W617-F663 HydrophobicContact CD2-CZ 4.27Å; W617-F663 HydrophobicContact CE3-CD1 4.09Å; W617-F663 AromaticContact CE3-CE1 3.82Å; W617-F663 HydrophobicContact CE3-CE1 3.82Å; W617-F663 HydrophobicContact CG-CD1 4.31Å; W617-F663 AromaticContact CG-CE1 3.29Å; W617-F663 HydrophobicContact CG-CE1 3.29Å; W617-F663 AromaticContact CG-CZ 3.63Å; W617-F663 HydrophobicContact CG-CZ 3.63Å; V659-F663 CarbonylContact C-O 3.57Å; V659-F663 WeakPolarHBondContact CA-O 3.44Å; Y660-F663 PolarHBondContact N-O 3.32Å; Y660-F663 PolarHBondContact O-N 3.19Å; Y660-F663 VanDerWaalsContact O-N 3.16Å; G661-F663 VanDerWaalsContact C-N 3.31Å; F663-L684 HydrophobicContact CB-CD1 3.87Å; F663-L684 HydrophobicContact CD1-CD1 4.3Å; F663-L684 HydrophobicContact CG-CD1 4.34Å; F663-K685 WeakPolarHBondContact CA-O 3.48Å
664	E	98	Very high	93.8	Very high	42 Å²	42	63.2 Å²	63.2	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.8	169.4	-168.2	-172.7	-175.6	0	0	108.5	S657 V659 H666 K685 I687	S657-E664 PolarHBondContact OG-OE1 3.01Å; S657-E664 VanDerWaalsContact OG-OE1 3.13Å; V659-E664 HydrophobicContact CG2-CB 4.26Å; V659-E664 HydrophobicContact CG2-CG 4.04Å; E664-H666 WeakPolarHBondContact CG-NE2 3.49Å; E664-H666 IonicContact OE1-CE1 2.69Å; E664-H666 PolarHBondContact OE1-CE1 3.28Å; E664-H666 IonicContact OE1-NE2 3.91Å; E664-H666 PolarHBondContact OE1-NE2 3.06Å; E664-H666 IonicContact OE2-NE2 3.94Å; E664-H666 PolarHBondContact OE2-NE2 2.72Å; E664-K685 HydrophobicContact CB-CB 4.41Å; E664-K685 PolarHBondContact N-O 2.67Å; E664-K685 PolarHBondContact O-N 2.69Å; E664-I687 HydrophobicContact CB-CD1 4.3Å; E664-I687 HydrophobicContact CB-CG1 4.19Å
665	V	98.3	Very high	93.9	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121	-178.3	-176	0	0	0	0	108.1	W613 P653 S657 Q658 Y660 F682 L684	W613-V665 HydrophobicContact CD2-CG2 3.79Å; W613-V665 HydrophobicContact CE3-CG2 4.12Å; W613-V665 HydrophobicContact CG-CG2 4.32Å; W613-V665 HydrophobicContact CH2-CG1 3.8Å; W613-V665 HydrophobicContact CH2-CG2 4.09Å; W613-V665 HydrophobicContact CZ2-CB 4.38Å; W613-V665 HydrophobicContact CZ2-CG1 3.78Å; W613-V665 HydrophobicContact CZ2-CG2 3.77Å; W613-V665 HydrophobicContact CZ3-CG2 4.26Å; P653-V665 HydrophobicContact CG-CG1 4.44Å; P653-V665 WeakPolarHBondContact CG-O 3.24Å; S657-V665 CarbonylContact C-O 3.58Å; S657-V665 WeakPolarHBondContact CA-O 3.47Å; S657-V665 WeakPolarHBondContact CB-O 3.29Å; Q658-V665 PolarHBondContact N-O 2.91Å; Q658-V665 PolarHBondContact O-N 3.3Å; Y660-V665 HydrophobicContact CD2-CB 4.2Å; Y660-V665 HydrophobicContact CD2-CG2 3.62Å; Y660-V665 HydrophobicContact CE2-CB 4.05Å; Y660-V665 HydrophobicContact CE2-CG2 3.93Å; V665-F682 HydrophobicContact CG1-CB 4.14Å; V665-F682 HydrophobicContact CG1-CD1 3.81Å; V665-F682 HydrophobicContact CG1-CE1 4.44Å; V665-F682 HydrophobicContact CG1-CG 4.05Å; V665-L684 HydrophobicContact CG2-CD1 3.76Å
666	H	98.2	Very high	94	Very high	51 Å²	51	60.1 Å²	60.1	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	177.3	-64.7	-110.5	0	0	0	109.7	G656 S657 E664 V668 F682 Y683	G656-H666 CarbonylContact O-C 3.57Å; G656-H666 WeakPolarHBondContact O-CA 3.43Å; S657-H666 VanDerWaalsContact CB-CE1 3.42Å; S657-H666 WeakPolarHBondContact CB-CE1 3.41Å; S657-H666 VanDerWaalsContact CB-ND1 3.33Å; S657-H666 WeakPolarHBondContact CB-ND1 3.34Å; E664-H666 WeakPolarHBondContact CG-NE2 3.49Å; E664-H666 IonicContact OE1-CE1 2.69Å; E664-H666 PolarHBondContact OE1-CE1 3.28Å; E664-H666 IonicContact OE1-NE2 3.91Å; E664-H666 PolarHBondContact OE1-NE2 3.06Å; E664-H666 IonicContact OE2-NE2 3.94Å; E664-H666 PolarHBondContact OE2-NE2 2.72Å; H666-V668 PolarHBondContact O-N 3.31Å; H666-F682 CarbonylContact O-C 3.6Å; H666-F682 VanDerWaalsContact O-CA 3.23Å; H666-F682 WeakPolarHBondContact O-CA 3.47Å; H666-Y683 HydrophobicContact CB-CD1 4.31Å; H666-Y683 AromaticContact CD2-CD1 3.83Å; H666-Y683 PolarHBondContact N-O 3.43Å; H666-Y683 PolarHBondContact O-N 3.14Å
667	L	98.1	Very high	94	Very high	32 Å²	32	58 Å²	58	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.1	168.9	178.5	63.1	0	0	0	109	P653 N654 G656 R680 F682	P653-L667 HydrophobicContact CG-CB 4.15Å; N654-L667 VanDerWaalsContact O-CD2 3.23Å; N654-L667 WeakPolarHBondContact O-CD2 3.48Å; G656-L667 PolarHBondContact O-N 2.58Å; L667-R680 HydrophobicContact CD1-CB 3.97Å; L667-R680 HydrophobicContact CD1-CG 4.09Å; L667-F682 HydrophobicContact CB-CD1 4.41Å; L667-F682 HydrophobicContact CB-CE1 4.29Å; L667-F682 HydrophobicContact CD1-CD1 4.09Å; L667-F682 HydrophobicContact CD1-CE1 3.67Å; L667-F682 HydrophobicContact CD1-CZ 4.46Å
668	V	96.2	Very high	94	Very high	99 Å²	99	56.5 Å²	56.5	60%	0.6	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	-43.2	-179.1	178.8	0	0	0	0	111	H666 S681	H666-V668 PolarHBondContact O-N 3.31Å; V668-S681 WeakPolarHBondContact CB-O 3.41Å; V668-S681 PolarHBondContact N-O 3.26Å
669	S	95.1	Very high	94	Very high	31 Å²	31	53.6 Å²	53.6	22%	0.217	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	146.3	179.8	66.9	0	0	0	0	111.1	R680 S681	S669-R680 CarbonylContact O-C 3.57Å; S669-R680 VanDerWaalsContact O-CA 3.29Å; S669-R680 WeakPolarHBondContact O-CA 3.33Å; S669-S681 PolarHBondContact N-O 3.39Å; S669-S681 PolarHBondContact O-N 3.18Å; S669-S681 WeakPolarHBondContact OG-CB 3.44Å; S669-S681 PolarHBondContact OG-OG 2.83Å
670	E	95.9	Very high	94.1	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.9	169.6	-177.3	175.7	94.3	0	0	108.3	I678 R680	E670-I678 HydrophobicContact CG-CG2 3.42Å; E670-I678 VanDerWaalsContact CG-CG2 3.42Å; E670-R680 HydrophobicContact CB-CG 4.24Å; E670-R680 HydrophobicContact CG-CG 3.95Å; E670-R680 IonicContact OE2-CZ 3.53Å; E670-R680 IonicContact OE2-NE 3.71Å; E670-R680 PolarHBondContact OE2-NE 3.26Å; E670-R680 IonicContact OE2-NH2 3.62Å; E670-R680 PolarHBondContact OE2-NH2 3.44Å
671	H	93.1	Very high	94.1	Very high	96 Å²	96	51.6 Å²	51.6	44%	0.444	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116	178.5	-61.8	93.6	0	0	0	109.5	I679	H671-I679 PolarHBondContact N-O 2.85Å; H671-I679 PolarHBondContact O-N 3.04Å
672	S	89.3	Confident	94.3	Very high	80 Å²	80	49.3 Å²	49.3	56%	0.559	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	121	166.4	-171.1	0	0	0	0	108.7	S674	S672-S674 PolarHBondContact OG-O 2.94Å
673	W	75.5	Confident	94.4	Very high	128 Å²	128	50.9 Å²	50.9	49%	0.485	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-28.7	-178.3	-73.1	87.4	0	0	0	112.6	Y677	W673-Y677 HydrophobicContact CB-CD2 4.19Å; W673-Y677 HydrophobicContact CB-CE2 3.48Å; W673-Y677 VanDerWaalsContact CB-CE2 3.48Å; W673-Y677 AromaticContact CG-CE2 3.92Å; W673-Y677 HydrophobicContact CG-CE2 3.92Å; W673-Y677 PolarHBondContact N-O 2.99Å
674	S	86.4	Confident	94.4	Very high	32 Å²	32	50.6 Å²	50.6	22%	0.224	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	171.3	174.2	63.8	0	0	0	0	107.7	S672 N676 Y677	S672-S674 PolarHBondContact OG-O 2.94Å; S674-N676 PolarHBondContact O-N 2.92Å; S674-N676 PolarHBondContact OG-N 3.15Å; S674-Y677 PolarHBondContact O-N 3.36Å; S674-Y677 WeakPolarHBondContact OG-CE1 3.34Å
675	D	91	Very high	94.4	Very high	147 Å²	147	51.5 Å²	51.5	79%	0.786	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.2	174.2	-59.3	-30.5	0	0	0	112.7	T702	D675-T702 WeakPolarHBondContact O-CG2 3.3Å
676	N	94.1	Very high	94.4	Very high	41 Å²	41	51.8 Å²	51.8	22%	0.219	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-26.3	-176.7	-62.1	-59.1	0	0	0	114.3	S674 Y700 L701 T702 P714	S674-N676 PolarHBondContact O-N 2.92Å; S674-N676 PolarHBondContact OG-N 3.15Å; N676-Y700 HydrophobicContact CB-CE2 4.38Å; N676-L701 PolarHBondContact O-N 3.18Å; N676-T702 WeakPolarHBondContact OD1-CG2 3.5Å; N676-T702 PolarHBondContact OD1-OG1 2.96Å; N676-P714 HydrophobicContact CB-CB 3.85Å
677	Y	95.1	Very high	94.3	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.02	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	152.5	-178.4	60.7	-93.7	0	0	0	114.7	W673 S674 I679 H699 F718 K721	W673-Y677 HydrophobicContact CB-CD2 4.19Å; W673-Y677 HydrophobicContact CB-CE2 3.48Å; W673-Y677 VanDerWaalsContact CB-CE2 3.48Å; W673-Y677 AromaticContact CG-CE2 3.92Å; W673-Y677 HydrophobicContact CG-CE2 3.92Å; W673-Y677 PolarHBondContact N-O 2.99Å; S674-Y677 PolarHBondContact O-N 3.36Å; S674-Y677 WeakPolarHBondContact OG-CE1 3.34Å; Y677-I679 HydrophobicContact CD2-CG1 4.34Å; Y677-I679 HydrophobicContact CE2-CD1 4.46Å; Y677-H699 CarbonylContact C-O 3.52Å; Y677-H699 WeakPolarHBondContact CA-O 3.5Å; Y677-H699 WeakPolarHBondContact CB-O 3.06Å; Y677-F718 HydrophobicContact CD1-CB 4.04Å; Y677-F718 AromaticContact CD1-CD2 3.97Å; Y677-F718 HydrophobicContact CD1-CD2 3.97Å; Y677-F718 HydrophobicContact CD1-CG 4.49Å; Y677-F718 AromaticContact CD2-CD2 3.98Å; Y677-F718 HydrophobicContact CD2-CD2 3.98Å; Y677-F718 HydrophobicContact CE1-CB 4.26Å; Y677-F718 AromaticContact CG-CD2 3.59Å; Y677-F718 HydrophobicContact CG-CD2 3.59Å; Y677-F718 HydrophobicContact CG-CE2 4.31Å; Y677-K721 HydrophobicContact CE2-CD 3.7Å; Y677-K721 WeakPolarHBondContact OH-CD 3.29Å; Y677-K721 WeakPolarHBondContact OH-CE 3.47Å; Y677-K721 PolarHBondContact OH-NZ 3.3Å
678	I	95.9	Very high	94	Very high	22 Å²	22	57 Å²	57	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.1	175.9	-67.2	168.1	0	0	0	109.4	E670 R680 H699 L701	E670-I678 HydrophobicContact CG-CG2 3.42Å; E670-I678 VanDerWaalsContact CG-CG2 3.42Å; I678-R680 HydrophobicContact CG2-CG 4.25Å; I678-H699 PolarHBondContact N-O 3.34Å; I678-H699 PolarHBondContact O-N 2.83Å; I678-L701 HydrophobicContact CD1-CD1 3.7Å; I678-L701 HydrophobicContact CG1-CD1 3.8Å
679	I	96.7	Very high	93.9	Very high	18 Å²	18	55.8 Å²	55.8	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	173.4	-56.3	-178.2	0	0	0	109.3	H671 Y677 T696 Q697 F698 K721	H671-I679 PolarHBondContact N-O 2.85Å; H671-I679 PolarHBondContact O-N 3.04Å; Y677-I679 HydrophobicContact CD2-CG1 4.34Å; Y677-I679 HydrophobicContact CE2-CD1 4.46Å; I679-T696 HydrophobicContact CG2-CG2 3.67Å; I679-Q697 CarbonylContact C-O 3.57Å; I679-Q697 WeakPolarHBondContact CA-O 3.35Å; I679-F698 HydrophobicContact CD1-CD1 3.71Å; I679-F698 HydrophobicContact CD1-CE1 3.44Å; I679-F698 VanDerWaalsContact CD1-CE1 3.44Å; I679-F698 HydrophobicContact CD1-CZ 4.4Å; I679-F698 HydrophobicContact CG1-CD1 3.77Å; I679-F698 HydrophobicContact CG1-CE1 3.97Å; I679-F698 HydrophobicContact CG2-CD1 4.44Å; I679-F698 HydrophobicContact CG2-CE1 4.26Å; I679-F698 HydrophobicContact CG2-CZ 4.44Å; I679-K721 HydrophobicContact CD1-CD 4.16Å
680	R	97.1	Very high	93.9	Very high	8 Å²	8	59.5 Å²	59.5	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.3	174.6	-62.9	-177.4	-173	78.1	16.6	110.8	W652 L667 S669 E670 I678 F682 T696 Q697 H699	W652-R680 VanDerWaalsContact NE1-NE 3.1Å; L667-R680 HydrophobicContact CD1-CB 3.97Å; L667-R680 HydrophobicContact CD1-CG 4.09Å; S669-R680 CarbonylContact O-C 3.57Å; S669-R680 VanDerWaalsContact O-CA 3.29Å; S669-R680 WeakPolarHBondContact O-CA 3.33Å; E670-R680 HydrophobicContact CB-CG 4.24Å; E670-R680 HydrophobicContact CG-CG 3.95Å; E670-R680 IonicContact OE2-CZ 3.53Å; E670-R680 IonicContact OE2-NE 3.71Å; E670-R680 PolarHBondContact OE2-NE 3.26Å; E670-R680 IonicContact OE2-NH2 3.62Å; E670-R680 PolarHBondContact OE2-NH2 3.44Å; I678-R680 HydrophobicContact CG2-CG 4.25Å; R680-F682 HydrophobicContact CB-CE1 4.29Å; R680-F682 HydrophobicContact CB-CE2 4.02Å; R680-F682 HydrophobicContact CB-CZ 3.79Å; R680-F682 HydrophobicContact CG-CZ 4.38Å; R680-T696 CarbonylContact O-C 3.56Å; R680-T696 WeakPolarHBondContact O-CA 3.41Å; R680-Q697 HydrophobicContact CB-CB 4.38Å; R680-Q697 PolarHBondContact N-O 2.88Å; R680-Q697 PolarHBondContact O-N 3.23Å; R680-H699 PolarHBondContact NH1-ND1 2.98Å
681	S	96.4	Very high	93.9	Very high	38 Å²	38	60 Å²	60	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.5	169.5	-55.9	0	0	0	0	108.5	V668 S669	V668-S681 WeakPolarHBondContact CB-O 3.41Å; V668-S681 PolarHBondContact N-O 3.26Å; S669-S681 PolarHBondContact N-O 3.39Å; S669-S681 PolarHBondContact O-N 3.18Å; S669-S681 WeakPolarHBondContact OG-CB 3.44Å; S669-S681 PolarHBondContact OG-OG 2.83Å
682	F	97.9	Very high	93.9	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.4	178	-60.3	-64.7	0	0	0	111.1	W613 W652 V665 H666 L667 R680 T694 V695 Q697	W613-F682 HydrophobicContact CH2-CD2 4.22Å; W652-F682 HydrophobicContact CB-CE1 3.79Å; W652-F682 HydrophobicContact CB-CE2 4.34Å; W652-F682 HydrophobicContact CB-CZ 3.5Å; W652-F682 VanDerWaalsContact CB-CZ 3.5Å; W652-F682 AromaticContact CD1-CZ 3.78Å; W652-F682 HydrophobicContact CG-CE1 4.21Å; W652-F682 AromaticContact CG-CZ 3.69Å; W652-F682 HydrophobicContact CG-CZ 3.69Å; V665-F682 HydrophobicContact CG1-CB 4.14Å; V665-F682 HydrophobicContact CG1-CD1 3.81Å; V665-F682 HydrophobicContact CG1-CE1 4.44Å; V665-F682 HydrophobicContact CG1-CG 4.05Å; H666-F682 CarbonylContact O-C 3.6Å; H666-F682 VanDerWaalsContact O-CA 3.23Å; H666-F682 WeakPolarHBondContact O-CA 3.47Å; L667-F682 HydrophobicContact CB-CD1 4.41Å; L667-F682 HydrophobicContact CB-CE1 4.29Å; L667-F682 HydrophobicContact CD1-CD1 4.09Å; L667-F682 HydrophobicContact CD1-CE1 3.67Å; L667-F682 HydrophobicContact CD1-CZ 4.46Å; R680-F682 HydrophobicContact CB-CE1 4.29Å; R680-F682 HydrophobicContact CB-CE2 4.02Å; R680-F682 HydrophobicContact CB-CZ 3.79Å; R680-F682 HydrophobicContact CG-CZ 4.38Å; F682-T694 WeakPolarHBondContact O-CA 3.43Å; F682-V695 HydrophobicContact CB-CB 4.46Å; F682-V695 WeakPolarHBondContact CB-O 3.45Å; F682-V695 PolarHBondContact N-O 3.02Å; F682-V695 PolarHBondContact O-N 2.98Å; F682-Q697 HydrophobicContact CD2-CB 4.22Å; F682-Q697 HydrophobicContact CE2-CB 3.55Å; F682-Q697 HydrophobicContact CE2-CG 4.42Å; F682-Q697 HydrophobicContact CZ-CB 4.48Å
683	Y	97.4	Very high	94	Very high	91 Å²	91	58.3 Å²	58.3	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.4	162.5	174.6	-96.7	0	0	0	108.2	H666 K685 T692	H666-Y683 HydrophobicContact CB-CD1 4.31Å; H666-Y683 AromaticContact CD2-CD1 3.83Å; H666-Y683 PolarHBondContact N-O 3.43Å; H666-Y683 PolarHBondContact O-N 3.14Å; Y683-K685 HydrophobicContact CE1-CB 4.23Å; Y683-T692 HydrophobicContact CE1-CG2 4.19Å; Y683-T692 HydrophobicContact CE2-CG2 4Å; Y683-T692 VanDerWaalsContact CZ-CG2 3.47Å; Y683-T692 WeakPolarHBondContact OH-CG2 3.32Å
684	L	97.5	Very high	94.9	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.8	-176.7	178.7	65.4	0	0	0	109.1	W613 V616 W617 F663 V665 T692 R693 V695	W613-L684 HydrophobicContact CD2-CD1 4.46Å; W613-L684 HydrophobicContact CE3-CD1 3.78Å; W613-L684 HydrophobicContact CE3-CD2 4.14Å; W613-L684 HydrophobicContact CZ3-CD1 4.13Å; W613-L684 HydrophobicContact CZ3-CD2 4.32Å; V616-L684 HydrophobicContact CG1-CD2 4.17Å; W617-L684 HydrophobicContact CE3-CD2 3.69Å; W617-L684 HydrophobicContact CE3-CG 3.95Å; W617-L684 HydrophobicContact CZ3-CD2 4.25Å; W617-L684 HydrophobicContact CZ3-CG 4.14Å; F663-L684 HydrophobicContact CB-CD1 3.87Å; F663-L684 HydrophobicContact CD1-CD1 4.3Å; F663-L684 HydrophobicContact CG-CD1 4.34Å; V665-L684 HydrophobicContact CG2-CD1 3.76Å; L684-T692 CarbonylContact O-C 3.52Å; L684-T692 VanDerWaalsContact O-CA 3.27Å; L684-T692 WeakPolarHBondContact O-CA 3.14Å; L684-R693 PolarHBondContact N-O 3.07Å; L684-R693 PolarHBondContact O-N 3.46Å; L684-V695 HydrophobicContact CB-CG2 4.25Å; L684-V695 HydrophobicContact CD2-CG2 4Å
685	K	97.7	Very high	95.4	Very high	62 Å²	62	55.3 Å²	55.3	27%	0.27	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.5	178.9	-179.6	-177.8	174.9	-167.9	0	110.6	F663 E664 Y683 I687 N690 T692	F663-K685 WeakPolarHBondContact CA-O 3.48Å; E664-K685 HydrophobicContact CB-CB 4.41Å; E664-K685 PolarHBondContact N-O 2.67Å; E664-K685 PolarHBondContact O-N 2.69Å; Y683-K685 HydrophobicContact CE1-CB 4.23Å; K685-I687 PolarHBondContact O-N 2.69Å; K685-N690 WeakPolarHBondContact CE-OD1 3.45Å; K685-T692 HydrophobicContact CB-CG2 4.21Å; K685-T692 HydrophobicContact CG-CG2 4.02Å
686	S	96.8	Very high	95.6	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.9	167.8	174.9	0	0	0	0	109.1	V688 T689 N690 E691	S686-V688 PolarHBondContact O-N 3.08Å; S686-T689 WeakPolarHBondContact CB-OG1 2.96Å; S686-T689 PolarHBondContact OG-N 3.39Å; S686-T689 PolarHBondContact OG-OG1 3.18Å; S686-N690 WeakPolarHBondContact O-CA 3.4Å; S686-N690 PolarHBondContact O-N 3.28Å; S686-E691 PolarHBondContact N-O 2.96Å
687	I	96.2	Very high	95.8	Very high	81 Å²	81	48.1 Å²	48.1	42%	0.415	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.1	178.9	-58.5	169.8	0	0	0	110.4	V659 S662 E664 K685	V659-I687 HydrophobicContact CG1-CD1 3.64Å; V659-I687 HydrophobicContact CG2-CD1 4.15Å; S662-I687 WeakPolarHBondContact O-CB 3.08Å; S662-I687 PolarHBondContact O-N 2.98Å; E664-I687 HydrophobicContact CB-CD1 4.3Å; E664-I687 HydrophobicContact CB-CG1 4.19Å; K685-I687 PolarHBondContact O-N 2.69Å
688	V	93.4	Very high	96	Very high	111 Å²	111	48.2 Å²	48.2	67%	0.673	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-46.9	-178.8	179	0	0	0	0	111.8	S686	S686-V688 PolarHBondContact O-N 3.08Å
689	T	94.1	Very high	96.1	Very high	74 Å²	74	47.2 Å²	47.2	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-13.6	-173.1	62.3	0	0	0	0	113.7	S686 E691	S686-T689 WeakPolarHBondContact CB-OG1 2.96Å; S686-T689 PolarHBondContact OG-N 3.39Å; S686-T689 PolarHBondContact OG-OG1 3.18Å; T689-E691 PolarHBondContact O-N 3.06Å; T689-E691 VanDerWaalsContact O-N 3.14Å; T689-E691 WeakPolarHBondContact OG1-CB 3.35Å; T689-E691 PolarHBondContact OG1-N 3.26Å
690	N	94.4	Very high	96.1	Very high	109 Å²	109	46.3 Å²	46.3	58%	0.583	25%	0.245	S	C	*	.			trans	57.3	11.2	-167.2	-72.5	-46.7	0	0	0	114.9	K685 S686	K685-N690 WeakPolarHBondContact CE-OD1 3.45Å; S686-N690 WeakPolarHBondContact O-CA 3.4Å; S686-N690 PolarHBondContact O-N 3.28Å
691	E	95	Very high	96	Very high	109 Å²	109	47.6 Å²	47.6	51%	0.509	25%	0.252	S	S	.	.			trans	-72.1	153.6	170	-66.5	-175.8	162.4	0	0	110.6	W617 S686 T689	W617-E691 HydrophobicContact CH2-CB 3.64Å; W617-E691 VanDerWaalsContact CH2-O 3.3Å; W617-E691 WeakPolarHBondContact CH2-O 3.1Å; W617-E691 HydrophobicContact CZ2-CB 3.67Å; S686-E691 PolarHBondContact N-O 2.96Å; T689-E691 PolarHBondContact O-N 3.06Å; T689-E691 VanDerWaalsContact O-N 3.14Å; T689-E691 WeakPolarHBondContact OG1-CB 3.35Å; T689-E691 PolarHBondContact OG1-N 3.26Å
692	T	94	Very high	95.9	Very high	66 Å²	66	47.4 Å²	47.4	41%	0.405	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.1	-172.1	62.2	0	0	0	0	111.3	Y683 L684 K685	Y683-T692 HydrophobicContact CE1-CG2 4.19Å; Y683-T692 HydrophobicContact CE2-CG2 4Å; Y683-T692 VanDerWaalsContact CZ-CG2 3.47Å; Y683-T692 WeakPolarHBondContact OH-CG2 3.32Å; L684-T692 CarbonylContact O-C 3.52Å; L684-T692 VanDerWaalsContact O-CA 3.27Å; L684-T692 WeakPolarHBondContact O-CA 3.14Å; K685-T692 HydrophobicContact CB-CG2 4.21Å; K685-T692 HydrophobicContact CG-CG2 4.02Å
693	R	92.1	Very high	95.6	Very high	75 Å²	75	47.3 Å²	47.3	28%	0.283	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.3	177.3	-60.8	-176.8	-170.3	171.2	6.8	111	W617 L684	W617-R693 HydrophobicContact CH2-CG 4.15Å; W617-R693 HydrophobicContact CZ3-CB 4.35Å; W617-R693 HydrophobicContact CZ3-CG 3.85Å; W617-R693 PolarHBondContact O-NH1 2.99Å; L684-R693 PolarHBondContact N-O 3.07Å; L684-R693 PolarHBondContact O-N 3.46Å
694	T	93.7	Very high	95.3	Very high	95 Å²	95	47.3 Å²	47.3	58%	0.583	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.3	168.9	53.7	0	0	0	0	109.5	F682	F682-T694 WeakPolarHBondContact O-CA 3.43Å
695	V	96.2	Very high	94.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.7	177.5	-178.6	0	0	0	0	108.8	V616 V622 I624 F682 L684	V616-V695 HydrophobicContact CG1-CG1 4.4Å; V616-V695 HydrophobicContact CG1-CG2 4.14Å; V622-V695 WeakPolarHBondContact O-CA 3.24Å; I624-V695 HydrophobicContact CD1-CG1 3.65Å; I624-V695 HydrophobicContact CG1-CG1 3.88Å; F682-V695 HydrophobicContact CB-CB 4.46Å; F682-V695 WeakPolarHBondContact CB-O 3.45Å; F682-V695 PolarHBondContact N-O 3.02Å; F682-V695 PolarHBondContact O-N 2.98Å; L684-V695 HydrophobicContact CB-CG2 4.25Å; L684-V695 HydrophobicContact CD2-CG2 4Å
696	T	97	Very high	94.2	Very high	38 Å²	38	56.1 Å²	56.1	23%	0.233	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	178.4	-53.1	0	0	0	0	109.6	V622 V623 I624 I679 R680 F698	V622-T696 PolarHBondContact O-N 3.32Å; V623-T696 WeakPolarHBondContact CA-O 3.37Å; I624-T696 PolarHBondContact N-O 3.28Å; I679-T696 HydrophobicContact CG2-CG2 3.67Å; R680-T696 CarbonylContact O-C 3.56Å; R680-T696 WeakPolarHBondContact O-CA 3.41Å; T696-F698 HydrophobicContact CG2-CD2 4.06Å; T696-F698 HydrophobicContact CG2-CE2 3.49Å; T696-F698 VanDerWaalsContact CG2-CE2 3.49Å; T696-F698 HydrophobicContact CG2-CZ 3.92Å
697	Q	98	Very high	93.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.2	172.1	-178.6	-157.3	51.6	0	0	110.1	I624 C626 Y651 W652 I679 R680 F682	I624-Q697 HydrophobicContact CB-CB 4.31Å; I624-Q697 HydrophobicContact CB-CG 4.32Å; I624-Q697 HydrophobicContact CG2-CG 4.29Å; I624-Q697 CarbonylContact O-C 3.49Å; I624-Q697 VanDerWaalsContact O-CA 3.32Å; I624-Q697 WeakPolarHBondContact O-CA 3.3Å; C626-Q697 HydrophobicContact CB-CG 4.38Å; Y651-Q697 PolarHBondContact OH-NE2 3.3Å; W652-Q697 VanDerWaalsContact CZ3-NE2 3.31Å; I679-Q697 CarbonylContact C-O 3.57Å; I679-Q697 WeakPolarHBondContact CA-O 3.35Å; R680-Q697 HydrophobicContact CB-CB 4.38Å; R680-Q697 PolarHBondContact N-O 2.88Å; R680-Q697 PolarHBondContact O-N 3.23Å; F682-Q697 HydrophobicContact CD2-CB 4.22Å; F682-Q697 HydrophobicContact CE2-CB 3.55Å; F682-Q697 HydrophobicContact CE2-CG 4.42Å; F682-Q697 HydrophobicContact CZ-CB 4.48Å
698	F	98.1	Very high	93.4	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114	168.6	-67.6	-98.2	0	0	0	107.8	V623 I624 V625 C626 I679 T696 F718 K721 V722	V623-F698 HydrophobicContact CG1-CD2 3.85Å; V623-F698 HydrophobicContact CG1-CE2 3.95Å; I624-F698 PolarHBondContact O-N 2.81Å; V625-F698 CarbonylContact C-O 3.55Å; V625-F698 WeakPolarHBondContact CA-O 3.2Å; C626-F698 PolarHBondContact N-O 3.34Å; I679-F698 HydrophobicContact CD1-CD1 3.71Å; I679-F698 HydrophobicContact CD1-CE1 3.44Å; I679-F698 VanDerWaalsContact CD1-CE1 3.44Å; I679-F698 HydrophobicContact CD1-CZ 4.4Å; I679-F698 HydrophobicContact CG1-CD1 3.77Å; I679-F698 HydrophobicContact CG1-CE1 3.97Å; I679-F698 HydrophobicContact CG2-CD1 4.44Å; I679-F698 HydrophobicContact CG2-CE1 4.26Å; I679-F698 HydrophobicContact CG2-CZ 4.44Å; T696-F698 HydrophobicContact CG2-CD2 4.06Å; T696-F698 HydrophobicContact CG2-CE2 3.49Å; T696-F698 VanDerWaalsContact CG2-CE2 3.49Å; T696-F698 HydrophobicContact CG2-CZ 3.92Å; F698-F718 HydrophobicContact CB-CE2 3.55Å; F698-F718 HydrophobicContact CB-CZ 3.51Å; F698-F718 HydrophobicContact CD1-CE2 4.41Å; F698-F718 HydrophobicContact CG-CE2 4.48Å; F698-K721 HydrophobicContact CE1-CB 4.08Å; F698-V722 HydrophobicContact CB-CG2 3.8Å; F698-V722 HydrophobicContact CD1-CG2 3.58Å; F698-V722 HydrophobicContact CD2-CG2 3.98Å; F698-V722 HydrophobicContact CE1-CG2 4.11Å; F698-V722 HydrophobicContact CE2-CG2 4.47Å; F698-V722 HydrophobicContact CG-CG2 3.52Å
699	H	97.8	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.6	-175.2	-175.3	170	0	0	0	109.4	C626 E628 T630 W652 Y677 I678 R680 L701	C626-H699 HydrophobicContact CB-CB 4.16Å; C626-H699 CarbonylContact O-C 3.59Å; C626-H699 WeakPolarHBondContact O-CA 3.42Å; E628-H699 PolarHBondContact O-CD2 2.89Å; E628-H699 PolarHBondContact O-NE2 2.92Å; T630-H699 PolarHBondContact OG1-CE1 3.12Å; T630-H699 VanDerWaalsContact OG1-CE1 3.31Å; W652-H699 AromaticContact CH2-CE1 3.64Å; W652-H699 AromaticContact CH2-ND1 3.58Å; W652-H699 AromaticContact CZ2-CE1 3.8Å; W652-H699 AromaticContact CZ2-ND1 3.54Å; Y677-H699 CarbonylContact C-O 3.52Å; Y677-H699 WeakPolarHBondContact CA-O 3.5Å; Y677-H699 WeakPolarHBondContact CB-O 3.06Å; I678-H699 PolarHBondContact N-O 3.34Å; I678-H699 PolarHBondContact O-N 2.83Å; R680-H699 PolarHBondContact NH1-ND1 2.98Å; H699-L701 WeakPolarHBondContact NE2-CD2 3.39Å
700	Y	97	Very high	92.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.7	177	-163.2	-89.1	0	0	0	110.6	C626 N676 T702 W703 N711 P714 M715 F718	C626-Y700 PolarHBondContact O-N 3.03Å; N676-Y700 HydrophobicContact CB-CE2 4.38Å; Y700-T702 WeakPolarHBondContact CE1-OG1 3.43Å; Y700-W703 HydrophobicContact CD1-CB 3.84Å; Y700-W703 HydrophobicContact CD1-CE3 4.5Å; Y700-W703 HydrophobicContact CE1-CB 3.95Å; Y700-N711 PolarHBondContact OH-OD1 2.96Å; Y700-P714 HydrophobicContact CE2-CB 4.38Å; Y700-M715 HydrophobicContact CD1-CE 3.82Å; Y700-M715 HydrophobicContact CD2-CE 3.63Å; Y700-M715 HydrophobicContact CE1-CE 3.72Å; Y700-M715 HydrophobicContact CE2-CE 3.53Å; Y700-M715 HydrophobicContact CG-CE 3.77Å; Y700-F718 HydrophobicContact CD2-CB 3.97Å; Y700-F718 HydrophobicContact CD2-CD1 4.06Å; Y700-F718 AromaticContact CD2-CD2 3.89Å; Y700-F718 HydrophobicContact CD2-CD2 3.89Å; Y700-F718 HydrophobicContact CD2-CE2 4.31Å; Y700-F718 AromaticContact CD2-CG 3.72Å; Y700-F718 HydrophobicContact CD2-CG 3.72Å; Y700-F718 HydrophobicContact CE2-CB 4.14Å; Y700-F718 HydrophobicContact CE2-CG 4.38Å
701	L	95.3	Very high	92.5	Very high	34 Å²	34	52.7 Å²	52.7	18%	0.178	26%	0.264	C	S	.	.			trans	-107.4	-20.2	-163.4	-61.2	179	0	0	0	114.6	R629 T630 N676 I678 H699	R629-L701 WeakPolarHBondContact CD-O 3.3Å; R629-L701 WeakPolarHBondContact CG-O 3.27Å; T630-L701 WeakPolarHBondContact OG1-CD2 3.13Å; N676-L701 PolarHBondContact O-N 3.18Å; I678-L701 HydrophobicContact CD1-CD1 3.7Å; I678-L701 HydrophobicContact CG1-CD1 3.8Å; H699-L701 WeakPolarHBondContact NE2-CD2 3.39Å
702	T	93.6	Very high	92.4	Very high	34 Å²	34	47.7 Å²	47.7	21%	0.209	24%	0.241	C	C	.	.			trans	-113.7	9.9	-165.5	48.5	0	0	0	0	114.2	D675 N676 Y700 K704 N711	D675-T702 WeakPolarHBondContact O-CG2 3.3Å; N676-T702 WeakPolarHBondContact OD1-CG2 3.5Å; N676-T702 PolarHBondContact OD1-OG1 2.96Å; Y700-T702 WeakPolarHBondContact CE1-OG1 3.43Å; T702-K704 PolarHBondContact O-N 2.99Å; T702-K704 VanDerWaalsContact O-N 3.15Å; T702-N711 PolarHBondContact O-ND2 2.94Å; T702-N711 PolarHBondContact O-OD1 3.28Å; T702-N711 PolarHBondContact OG1-OD1 2.81Å
703	W	92.8	Very high	92.4	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.25	C	S	.	.			trans	-70.8	110.3	177.7	-165.3	-50.7	0	0	0	110.3	L627 R629 Y700 L708 M715 R743 A746 F789	L627-W703 HydrophobicContact CD2-CE3 4.39Å; R629-W703 WeakPolarHBondContact CD-O 3.37Å; R629-W703 PolarHBondContact NH1-O 3.42Å; R629-W703 VanDerWaalsContact NH1-O 3.11Å; Y700-W703 HydrophobicContact CD1-CB 3.84Å; Y700-W703 HydrophobicContact CD1-CE3 4.5Å; Y700-W703 HydrophobicContact CE1-CB 3.95Å; W703-L708 HydrophobicContact CZ2-CD2 3.69Å; W703-M715 HydrophobicContact CE3-CE 3.26Å; W703-M715 HydrophobicContact CH2-CE 4.5Å; W703-M715 HydrophobicContact CZ3-CE 3.26Å; W703-M715 HydrophobicContact CZ3-CG 4.49Å; W703-M715 HydrophobicContact CZ3-SD 4.03Å; W703-R743 VanDerWaalsContact CD1-CD 3.49Å; W703-R743 HydrophobicContact CD2-CB 4.34Å; W703-R743 HydrophobicContact CD2-CG 4.05Å; W703-R743 HydrophobicContact CG-CG 4.08Å; W703-R743 HydrophobicContact CZ2-CB 4.45Å; W703-R743 HydrophobicContact CZ2-CG 4.41Å; W703-A746 HydrophobicContact CH2-CB 3.75Å; W703-A746 HydrophobicContact CZ2-CB 3.91Å; W703-F789 AromaticContact CH2-CD1 3.95Å; W703-F789 HydrophobicContact CH2-CD1 3.95Å; W703-F789 AromaticContact CH2-CE1 3.43Å; W703-F789 HydrophobicContact CH2-CE1 3.43Å; W703-F789 VanDerWaalsContact CH2-CE1 3.43Å; W703-F789 HydrophobicContact CH2-CZ 4.22Å; W703-F789 HydrophobicContact CZ2-CD1 4.09Å; W703-F789 AromaticContact CZ2-CE1 3.95Å; W703-F789 HydrophobicContact CZ2-CE1 3.95Å; W703-F789 HydrophobicContact CZ3-CE1 4.1Å
704	K	90.4	Very high	92.5	Very high	90 Å²	90	48.4 Å²	48.4	39%	0.391	24%	0.243	S	C	.	.			trans	-127.7	149.2	164.5	-45.2	-173.1	168.5	-179.6	0	109.3	T702 E706 N707 L708	T702-K704 PolarHBondContact O-N 2.99Å; T702-K704 VanDerWaalsContact O-N 3.15Å; K704-E706 WeakPolarHBondContact CB-OE2 3.44Å; K704-E706 PolarHBondContact O-N 3.29Å; K704-N707 WeakPolarHBondContact CA-OD1 3.37Å; K704-N707 VanDerWaalsContact CB-OD1 3.28Å; K704-N707 WeakPolarHBondContact CB-OD1 3.38Å; K704-N707 PolarHBondContact N-OD1 3.27Å; K704-N707 VanDerWaalsContact N-OD1 3.12Å; K704-N707 PolarHBondContact O-N 3.28Å; K704-N707 PolarHBondContact O-OD1 2.73Å; K704-L708 PolarHBondContact O-N 2.56Å
705	D	84.3	Confident	92.6	Very high	81 Å²	81	43.9 Å²	43.9	43%	0.433	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-67.4	-25.5	-179.2	-72.9	-20.8	0	0	0	110.9	N707 L708 Q786	D705-N707 VanDerWaalsContact C-N 3.33Å; D705-N707 PolarHBondContact O-N 2.74Å; D705-L708 WeakPolarHBondContact O-CG 3.07Å; D705-Q786 PolarHBondContact OD1-NE2 3.01Å
706	E	87.2	Confident	92.6	Very high	167 Å²	167	44 Å²	44	78%	0.78	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-74	-19.1	178.8	-51.2	84.8	-179.6	0	0	114.1	K704	K704-E706 WeakPolarHBondContact CB-OE2 3.44Å; K704-E706 PolarHBondContact O-N 3.29Å
707	N	86.2	Confident	92.4	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.214	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-126.5	29.6	-175.6	73.3	-14.9	0	0	0	113.1	K704 D705 M709 E710 N711	K704-N707 WeakPolarHBondContact CA-OD1 3.37Å; K704-N707 VanDerWaalsContact CB-OD1 3.28Å; K704-N707 WeakPolarHBondContact CB-OD1 3.38Å; K704-N707 PolarHBondContact N-OD1 3.27Å; K704-N707 VanDerWaalsContact N-OD1 3.12Å; K704-N707 PolarHBondContact O-N 3.28Å; K704-N707 PolarHBondContact O-OD1 2.73Å; D705-N707 VanDerWaalsContact C-N 3.33Å; D705-N707 PolarHBondContact O-N 2.74Å; N707-M709 VanDerWaalsContact C-N 3.34Å; N707-M709 PolarHBondContact O-N 2.88Å; N707-E710 HydrophobicContact CB-CB 4.49Å; N707-E710 PolarHBondContact O-N 2.77Å; N707-N711 PolarHBondContact O-N 2.96Å; N707-N711 PolarHBondContact O-ND2 3.47Å; N707-N711 VanDerWaalsContact O-ND2 3.09Å; N707-N711 PolarHBondContact OD1-ND2 3.38Å
708	L	90.1	Very high	92.4	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-48	-178	-76.9	168.5	0	0	0	112.8	W703 K704 D705 E710 N711 E785 Q786 F789	W703-L708 HydrophobicContact CZ2-CD2 3.69Å; K704-L708 PolarHBondContact O-N 2.56Å; D705-L708 WeakPolarHBondContact O-CG 3.07Å; L708-E710 VanDerWaalsContact C-N 3.33Å; L708-E710 PolarHBondContact O-N 3.46Å; L708-N711 WeakPolarHBondContact O-CB 3.38Å; L708-N711 PolarHBondContact O-N 2.93Å; L708-E785 HydrophobicContact CD1-CB 3.69Å; L708-Q786 HydrophobicContact CD1-CG 4.17Å; L708-F789 HydrophobicContact CB-CB 4.24Å; L708-F789 HydrophobicContact CB-CD2 4.06Å; L708-F789 HydrophobicContact CB-CG 4.32Å; L708-F789 HydrophobicContact CD2-CB 4.49Å; L708-F789 HydrophobicContact CD2-CD2 4.47Å; L708-F789 HydrophobicContact CD2-CG 4.24Å; L708-F789 WeakPolarHBondContact O-CD2 3.38Å; L708-F789 WeakPolarHBondContact O-CE2 3.35Å
709	M	87.5	Confident	92.3	Very high	105 Å²	105	46.6 Å²	46.6	52%	0.517	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-66.3	-34.9	-175.7	-57.7	-57.5	-73.7	0	0	112.7	N707 N711 S712 S792	N707-M709 VanDerWaalsContact C-N 3.34Å; N707-M709 PolarHBondContact O-N 2.88Å; M709-N711 PolarHBondContact O-N 3.25Å; M709-S712 WeakPolarHBondContact O-CB 3.38Å; M709-S712 PolarHBondContact O-N 3.16Å; M709-S792 VanDerWaalsContact CE-OG 3.3Å; M709-S792 WeakPolarHBondContact CE-OG 3.42Å
710	E	88.9	Confident	92.1	Very high	152 Å²	152	49.7 Å²	49.7	71%	0.71	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-66	-27.6	174.8	-61.3	176.3	-178.8	0	0	112	N707 L708 S712	N707-E710 HydrophobicContact CB-CB 4.49Å; N707-E710 PolarHBondContact O-N 2.77Å; L708-E710 VanDerWaalsContact C-N 3.33Å; L708-E710 PolarHBondContact O-N 3.46Å; E710-S712 VanDerWaalsContact C-N 3.3Å; E710-S712 PolarHBondContact O-N 2.95Å
711	N	87.6	Confident	92	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79.8	-3.6	179.1	-81	-57.3	0	0	0	114.1	Y700 T702 N707 L708 M709 P714 M715 F789	Y700-N711 PolarHBondContact OH-OD1 2.96Å; T702-N711 PolarHBondContact O-ND2 2.94Å; T702-N711 PolarHBondContact O-OD1 3.28Å; T702-N711 PolarHBondContact OG1-OD1 2.81Å; N707-N711 PolarHBondContact O-N 2.96Å; N707-N711 PolarHBondContact O-ND2 3.47Å; N707-N711 VanDerWaalsContact O-ND2 3.09Å; N707-N711 PolarHBondContact OD1-ND2 3.38Å; L708-N711 WeakPolarHBondContact O-CB 3.38Å; L708-N711 PolarHBondContact O-N 2.93Å; M709-N711 PolarHBondContact O-N 3.25Å; N711-P714 WeakPolarHBondContact O-CD 3.24Å; N711-M715 WeakPolarHBondContact O-CB 3.35Å; N711-M715 PolarHBondContact O-N 3.02Å; N711-F789 HydrophobicContact CB-CE2 4.43Å
712	S	92.9	Very high	92	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-56.1	-176.6	-175.3	0	0	0	0	112.3	M709 E710 M715 L716 S793 E796	M709-S712 WeakPolarHBondContact O-CB 3.38Å; M709-S712 PolarHBondContact O-N 3.16Å; E710-S712 VanDerWaalsContact C-N 3.3Å; E710-S712 PolarHBondContact O-N 2.95Å; S712-M715 PolarHBondContact O-N 3.35Å; S712-L716 WeakPolarHBondContact O-CG 3.43Å; S712-L716 PolarHBondContact O-N 2.9Å; S712-S793 WeakPolarHBondContact CB-OG 3.29Å; S712-S793 WeakPolarHBondContact OG-CA 3.33Å; S712-S793 WeakPolarHBondContact OG-CB 3.38Å; S712-S793 PolarHBondContact OG-OG 2.88Å; S712-E796 VanDerWaalsContact CB-OE2 3.24Å; S712-E796 WeakPolarHBondContact CB-OE2 3.39Å; S712-E796 PolarHBondContact OG-OE2 2.98Å
713	K	93.3	Very high	91.9	Very high	136 Å²	136	51 Å²	51	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-60.9	-52.1	-179.7	-68.3	178.8	-180	-179.9	0	113.1	M715 L716 E717 E796	K713-M715 VanDerWaalsContact C-N 3.26Å; K713-M715 PolarHBondContact O-N 3.22Å; K713-L716 PolarHBondContact O-N 3.31Å; K713-E717 PolarHBondContact O-N 3.14Å; K713-E796 WeakPolarHBondContact CE-OE1 3.48Å; K713-E796 WeakPolarHBondContact CG-OE1 3.35Å
714	P	94.4	Very high	91.8	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-31.5	179.1	-19.6	31.8	0	0	0	113	N676 Y700 N711 F718	N676-P714 HydrophobicContact CB-CB 3.85Å; Y700-P714 HydrophobicContact CE2-CB 4.38Å; N711-P714 WeakPolarHBondContact O-CD 3.24Å; P714-F718 WeakPolarHBondContact O-CB 3.4Å; P714-F718 PolarHBondContact O-N 2.87Å
715	M	96	Very high	91.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-43.7	174.2	-177.7	54.8	53.3	0	0	112.3	Y700 W703 N711 S712 K713 F718 R719 Y747 L750 F789	Y700-M715 HydrophobicContact CD1-CE 3.82Å; Y700-M715 HydrophobicContact CD2-CE 3.63Å; Y700-M715 HydrophobicContact CE1-CE 3.72Å; Y700-M715 HydrophobicContact CE2-CE 3.53Å; Y700-M715 HydrophobicContact CG-CE 3.77Å; W703-M715 HydrophobicContact CE3-CE 3.26Å; W703-M715 HydrophobicContact CH2-CE 4.5Å; W703-M715 HydrophobicContact CZ3-CE 3.26Å; W703-M715 HydrophobicContact CZ3-CG 4.49Å; W703-M715 HydrophobicContact CZ3-SD 4.03Å; N711-M715 WeakPolarHBondContact O-CB 3.35Å; N711-M715 PolarHBondContact O-N 3.02Å; S712-M715 PolarHBondContact O-N 3.35Å; K713-M715 VanDerWaalsContact C-N 3.26Å; K713-M715 PolarHBondContact O-N 3.22Å; M715-F718 WeakPolarHBondContact O-CB 3.45Å; M715-F718 PolarHBondContact O-N 2.93Å; M715-F718 HydrophobicContact SD-CD1 3.98Å; M715-R719 VanDerWaalsContact O-CB 3.29Å; M715-R719 WeakPolarHBondContact O-CB 3.46Å; M715-R719 PolarHBondContact O-N 2.84Å; M715-Y747 HydrophobicContact SD-CD2 3.59Å; M715-Y747 VanDerWaalsContact SD-CD2 3.59Å; M715-Y747 HydrophobicContact SD-CE2 3.96Å; M715-L750 HydrophobicContact CG-CD2 3.9Å; M715-F789 HydrophobicContact CB-CZ 4.01Å; M715-F789 HydrophobicContact CG-CE1 4.37Å; M715-F789 HydrophobicContact CG-CZ 3.96Å
716	L	95.7	Very high	91.2	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-42.8	176.3	-69.8	170.7	0	0	0	111.3	S712 K713 R719 R720 L750 L754 E796 E797	S712-L716 WeakPolarHBondContact O-CG 3.43Å; S712-L716 PolarHBondContact O-N 2.9Å; K713-L716 PolarHBondContact O-N 3.31Å; L716-R719 PolarHBondContact O-N 2.93Å; L716-R720 VanDerWaalsContact O-CG 3.31Å; L716-R720 WeakPolarHBondContact O-CG 3.13Å; L716-R720 PolarHBondContact O-N 3.27Å; L716-L750 HydrophobicContact CD2-CD1 4.33Å; L716-L750 HydrophobicContact CD2-CD2 4.25Å; L716-L754 HydrophobicContact CD2-CD1 3.81Å; L716-E796 HydrophobicContact CD1-CB 4.35Å; L716-E796 HydrophobicContact CD1-CG 4.26Å; L716-E797 HydrophobicContact CD1-CB 4.09Å; L716-E797 WeakPolarHBondContact CD1-OE2 3.12Å; L716-E797 HydrophobicContact CD2-CB 3.84Å; L716-E797 HydrophobicContact CD2-CG 4.2Å
717	E	94.3	Very high	90.6	Very high	94 Å²	94	53.9 Å²	53.9	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-47.4	172.7	-71.3	-177.5	178.1	0	0	112.6	K713 R719 R720 K721	K713-E717 PolarHBondContact O-N 3.14Å; E717-R719 VanDerWaalsContact C-N 3.34Å; E717-R719 PolarHBondContact O-N 3.06Å; E717-R720 PolarHBondContact O-N 3.02Å; E717-K721 PolarHBondContact O-N 3.44Å
718	F	96.3	Very high	89.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-47.8	176	173.5	-98.6	0	0	0	111.2	V625 L627 Y677 F698 Y700 P714 M715 R720 K721 V722 Y747	V625-F718 HydrophobicContact CG1-CE1 3.79Å; V625-F718 HydrophobicContact CG1-CZ 3.95Å; L627-F718 HydrophobicContact CD2-CE1 4.48Å; Y677-F718 HydrophobicContact CD1-CB 4.04Å; Y677-F718 AromaticContact CD1-CD2 3.97Å; Y677-F718 HydrophobicContact CD1-CD2 3.97Å; Y677-F718 HydrophobicContact CD1-CG 4.49Å; Y677-F718 AromaticContact CD2-CD2 3.98Å; Y677-F718 HydrophobicContact CD2-CD2 3.98Å; Y677-F718 HydrophobicContact CE1-CB 4.26Å; Y677-F718 AromaticContact CG-CD2 3.59Å; Y677-F718 HydrophobicContact CG-CD2 3.59Å; Y677-F718 HydrophobicContact CG-CE2 4.31Å; F698-F718 HydrophobicContact CB-CE2 3.55Å; F698-F718 HydrophobicContact CB-CZ 3.51Å; F698-F718 HydrophobicContact CD1-CE2 4.41Å; F698-F718 HydrophobicContact CG-CE2 4.48Å; Y700-F718 HydrophobicContact CD2-CB 3.97Å; Y700-F718 HydrophobicContact CD2-CD1 4.06Å; Y700-F718 AromaticContact CD2-CD2 3.89Å; Y700-F718 HydrophobicContact CD2-CD2 3.89Å; Y700-F718 HydrophobicContact CD2-CE2 4.31Å; Y700-F718 AromaticContact CD2-CG 3.72Å; Y700-F718 HydrophobicContact CD2-CG 3.72Å; Y700-F718 HydrophobicContact CE2-CB 4.14Å; Y700-F718 HydrophobicContact CE2-CG 4.38Å; P714-F718 WeakPolarHBondContact O-CB 3.4Å; P714-F718 PolarHBondContact O-N 2.87Å; M715-F718 WeakPolarHBondContact O-CB 3.45Å; M715-F718 PolarHBondContact O-N 2.93Å; M715-F718 HydrophobicContact SD-CD1 3.98Å; F718-R720 PolarHBondContact O-N 3.47Å; F718-K721 WeakPolarHBondContact O-CB 3.32Å; F718-K721 PolarHBondContact O-N 2.83Å; F718-K721 VanDerWaalsContact O-N 3.16Å; F718-V722 HydrophobicContact CD1-CG2 4.28Å; F718-V722 HydrophobicContact CE1-CG2 3.95Å; F718-V722 HydrophobicContact CZ-CG2 4.12Å; F718-V722 WeakPolarHBondContact O-CG2 3.48Å; F718-V722 PolarHBondContact O-N 2.84Å; F718-Y747 AromaticContact CD1-CE2 3.84Å; F718-Y747 HydrophobicContact CD1-CE2 3.84Å; F718-Y747 HydrophobicContact CE1-CD2 4.45Å; F718-Y747 AromaticContact CE1-CE2 3.74Å; F718-Y747 HydrophobicContact CE1-CE2 3.74Å
719	R	96.5	Very high	88.1	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-47.5	175.3	-179.8	-167.4	170	-100	-3.9	111.8	M715 L716 E717 K721 V722 N723 Y747 D751 L754 N755	M715-R719 VanDerWaalsContact O-CB 3.29Å; M715-R719 WeakPolarHBondContact O-CB 3.46Å; M715-R719 PolarHBondContact O-N 2.84Å; L716-R719 PolarHBondContact O-N 2.93Å; E717-R719 VanDerWaalsContact C-N 3.34Å; E717-R719 PolarHBondContact O-N 3.06Å; R719-K721 VanDerWaalsContact C-N 3.26Å; R719-K721 PolarHBondContact O-N 2.86Å; R719-V722 PolarHBondContact O-N 3.19Å; R719-N723 VanDerWaalsContact CZ-ND2 3.31Å; R719-N723 PolarHBondContact NH2-ND2 2.94Å; R719-N723 VanDerWaalsContact NH2-ND2 3.19Å; R719-N723 WeakPolarHBondContact O-CB 3.36Å; R719-N723 PolarHBondContact O-N 3.34Å; R719-Y747 HydrophobicContact CB-CE2 4.42Å; R719-D751 IonicContact CZ-OD1 2.92Å; R719-D751 VanDerWaalsContact CZ-OD1 3.25Å; R719-D751 IonicContact NE-OD1 3.04Å; R719-D751 PolarHBondContact NE-OD1 3.28Å; R719-D751 PolarHBondContact NH2-O 3.31Å; R719-D751 IonicContact NH2-OD1 3.3Å; R719-D751 PolarHBondContact NH2-OD1 2.89Å; R719-L754 VanDerWaalsContact NH2-CB 3.3Å; R719-N755 PolarHBondContact NH2-OD1 2.89Å
720	R	94	Very high	87.2	Confident	65 Å²	65	57.9 Å²	57.9	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-39.4	177.8	-69.3	177.3	-161.2	139.1	-10.2	111.2	I504 L716 E717 F718 N723 R724 E797	I504-R720 HydrophobicContact CD1-CG 4.02Å; L716-R720 VanDerWaalsContact O-CG 3.31Å; L716-R720 WeakPolarHBondContact O-CG 3.13Å; L716-R720 PolarHBondContact O-N 3.27Å; E717-R720 PolarHBondContact O-N 3.02Å; F718-R720 PolarHBondContact O-N 3.47Å; R720-N723 PolarHBondContact O-N 3.29Å; R720-R724 WeakPolarHBondContact O-CB 3.42Å; R720-R724 VanDerWaalsContact O-CG 3.23Å; R720-R724 WeakPolarHBondContact O-CG 3.43Å; R720-R724 PolarHBondContact O-N 3.18Å; R720-E797 IonicContact CZ-OE1 2.75Å; R720-E797 IonicContact CZ-OE2 3.76Å; R720-E797 IonicContact NE-OE1 2.75Å; R720-E797 PolarHBondContact NE-OE1 2.82Å; R720-E797 IonicContact NE-OE2 2.64Å; R720-E797 IonicContact NH2-OE1 3.93Å; R720-E797 PolarHBondContact NH2-OE1 2.61Å; R720-E797 IonicContact NH2-OE2 3.13Å; R720-E797 PolarHBondContact NH2-OE2 3.3Å
721	K	94.2	Very high	87.1	Confident	57 Å²	57	51.5 Å²	51.5	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-43.6	174.6	-73	-171.5	174.7	-179.9	0	112.9	Y677 I679 F698 E717 F718 R719 N723 R724 S725	Y677-K721 HydrophobicContact CE2-CD 3.7Å; Y677-K721 WeakPolarHBondContact OH-CD 3.29Å; Y677-K721 WeakPolarHBondContact OH-CE 3.47Å; Y677-K721 PolarHBondContact OH-NZ 3.3Å; I679-K721 HydrophobicContact CD1-CD 4.16Å; F698-K721 HydrophobicContact CE1-CB 4.08Å; E717-K721 PolarHBondContact O-N 3.44Å; F718-K721 WeakPolarHBondContact O-CB 3.32Å; F718-K721 PolarHBondContact O-N 2.83Å; F718-K721 VanDerWaalsContact O-N 3.16Å; R719-K721 VanDerWaalsContact C-N 3.26Å; R719-K721 PolarHBondContact O-N 2.86Å; K721-N723 VanDerWaalsContact C-N 3.3Å; K721-N723 PolarHBondContact O-N 2.91Å; K721-R724 PolarHBondContact O-N 3.45Å; K721-S725 PolarHBondContact O-N 2.91Å; K721-S725 VanDerWaalsContact O-N 3.14Å
722	V	95.7	Very high	87.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-44.5	174.3	173.8	0	0	0	0	110.6	V623 V625 F698 F718 R719 S725 I733 Y747	V623-V722 HydrophobicContact CG1-CG1 4.13Å; V625-V722 HydrophobicContact CG2-CG1 3.95Å; V625-V722 HydrophobicContact CG2-CG2 4.02Å; F698-V722 HydrophobicContact CB-CG2 3.8Å; F698-V722 HydrophobicContact CD1-CG2 3.58Å; F698-V722 HydrophobicContact CD2-CG2 3.98Å; F698-V722 HydrophobicContact CE1-CG2 4.11Å; F698-V722 HydrophobicContact CE2-CG2 4.47Å; F698-V722 HydrophobicContact CG-CG2 3.52Å; F718-V722 HydrophobicContact CD1-CG2 4.28Å; F718-V722 HydrophobicContact CE1-CG2 3.95Å; F718-V722 HydrophobicContact CZ-CG2 4.12Å; F718-V722 WeakPolarHBondContact O-CG2 3.48Å; F718-V722 PolarHBondContact O-N 2.84Å; R719-V722 PolarHBondContact O-N 3.19Å; V722-S725 VanDerWaalsContact O-CB 3.32Å; V722-S725 WeakPolarHBondContact O-CB 3.31Å; V722-S725 PolarHBondContact O-N 3.13Å; V722-S725 PolarHBondContact O-OG 3.42Å; V722-I733 HydrophobicContact CG1-CD1 4.03Å; V722-Y747 WeakPolarHBondContact CB-OH 3.39Å; V722-Y747 WeakPolarHBondContact CG1-OH 3.41Å; V722-Y747 WeakPolarHBondContact CG2-OH 3.5Å
723	N	92.1	Very high	87.7	Confident	40 Å²	40	51.2 Å²	51.2	21%	0.214	24%	0.238	C	C	.	.	H	α-helix	trans	-76.2	-24.1	-176	-68.9	-5.8	0	0	0	114.3	R719 R720 K721 S725 R727 D751	R719-N723 VanDerWaalsContact CZ-ND2 3.31Å; R719-N723 PolarHBondContact NH2-ND2 2.94Å; R719-N723 VanDerWaalsContact NH2-ND2 3.19Å; R719-N723 WeakPolarHBondContact O-CB 3.36Å; R719-N723 PolarHBondContact O-N 3.34Å; R720-N723 PolarHBondContact O-N 3.29Å; K721-N723 VanDerWaalsContact C-N 3.3Å; K721-N723 PolarHBondContact O-N 2.91Å; N723-S725 VanDerWaalsContact C-N 3.34Å; N723-R727 PolarHBondContact OD1-NH2 2.97Å; N723-D751 PolarHBondContact ND2-OD1 3.36Å; N723-D751 PolarHBondContact OD1-OD1 2.94Å
724	R	90.4	Very high	87.9	Confident	132 Å²	132	44.8 Å²	44.8	50%	0.498	21%	0.21	S	C	.	.	H	α-helix	trans	-81.8	-13.5	171	-71.4	173.4	-177.4	-176.2	-2.1	112.9	E502 R720 K721	E502-R724 PolarHBondContact O-NH2 3.45Å; R720-R724 WeakPolarHBondContact O-CB 3.42Å; R720-R724 VanDerWaalsContact O-CG 3.23Å; R720-R724 WeakPolarHBondContact O-CG 3.43Å; R720-R724 PolarHBondContact O-N 3.18Å; K721-R724 PolarHBondContact O-N 3.45Å
725	S	87.9	Confident	88.1	Confident	23 Å²	23	43.9 Å²	43.9	16%	0.161	20%	0.204	C	C	.	.	S	Bend	trans	-68.6	155	178.5	80.4	0	0	0	0	111.8	K721 V722 N723 R727	K721-S725 PolarHBondContact O-N 2.91Å; K721-S725 VanDerWaalsContact O-N 3.14Å; V722-S725 VanDerWaalsContact O-CB 3.32Å; V722-S725 WeakPolarHBondContact O-CB 3.31Å; V722-S725 PolarHBondContact O-N 3.13Å; V722-S725 PolarHBondContact O-OG 3.42Å; N723-S725 VanDerWaalsContact C-N 3.34Å; S725-R727 PolarHBondContact O-N 3.3Å; S725-R727 VanDerWaalsContact O-N 3.15Å
726	F	74.5	Confident	88.2	Confident	154 Å²	154	43.9 Å²	43.9	68%	0.675	20%	0.204	S	C	*	.			trans	-57.7	121	176.6	175.8	-96.1	0	0	0	110.4	V622	V622-F726 HydrophobicContact CG2-CD1 4.2Å; V622-F726 HydrophobicContact CG2-CE1 4.47Å
727	R	74.4	Confident	88.3	Confident	89 Å²	89	43.7 Å²	43.7	34%	0.336	20%	0.203	S	C	.	.			trans	-105.6	123.6	170.9	-65.1	-169.3	-178.6	-165.6	0.1	108.9	N723 S725 D751	N723-R727 PolarHBondContact OD1-NH2 2.97Å; S725-R727 PolarHBondContact O-N 3.3Å; S725-R727 VanDerWaalsContact O-N 3.15Å; R727-D751 IonicContact NH2-OD2 3.78Å
728	G	61.2	Low	88.3	Confident	17 Å²	17	40.7 Å²	40.7	18%	0.175	19%	0.192	C	C	.	.			trans	-63	152.5	170.1	0	0	0	0	0	110.9	M730 S731	G728-M730 PolarHBondContact O-N 3Å; G728-S731 VanDerWaalsContact O-CB 3.27Å; G728-S731 WeakPolarHBondContact O-CB 2.99Å; G728-S731 PolarHBondContact O-N 3.41Å
729	I	63.1	Low	88.2	Confident	107 Å²	107	41.5 Å²	41.5	55%	0.549	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	127	172.1	-62.7	175.4	0	0	0	108.6	I100 S731	I100-I729 HydrophobicContact CG1-CD1 4.21Å; I729-S731 PolarHBondContact O-N 3.4Å; I729-S731 VanDerWaalsContact O-N 3.11Å
730	M	68.8	Low	88.3	Confident	112 Å²	112	41.3 Å²	41.3	55%	0.552	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	25.8	-180	-61	177.8	55.8	0	0	114.3	N595 G728 P732	N595-M730 VanDerWaalsContact OD1-CE 3.23Å; N595-M730 WeakPolarHBondContact OD1-CE 3.37Å; G728-M730 PolarHBondContact O-N 3Å; M730-P732 WeakPolarHBondContact O-CD 3.3Å
731	S	87.1	Confident	88.3	Confident	18 Å²	18	38.2 Å²	38.2	13%	0.126	18%	0.184	C	C	.	.			trans	-94.4	111.3	179	-175.3	0	0	0	0	109.8	G620 C621 V622 G728 I729	G620-S731 WeakPolarHBondContact O-CB 2.88Å; G620-S731 PolarHBondContact O-OG 3.21Å; C621-S731 WeakPolarHBondContact CA-OG 3.48Å; V622-S731 PolarHBondContact N-OG 3.09Å; G728-S731 VanDerWaalsContact O-CB 3.27Å; G728-S731 WeakPolarHBondContact O-CB 2.99Å; G728-S731 PolarHBondContact O-N 3.41Å; I729-S731 PolarHBondContact O-N 3.4Å; I729-S731 VanDerWaalsContact O-N 3.11Å
732	P	93.9	Very high	88.4	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.013	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-71.1	149.3	176	28.7	-32.1	0	0	0	111	P596 V597 I599 Q619 M730	P596-P732 HydrophobicContact CB-CB 4.42Å; P596-P732 HydrophobicContact CG-CB 4.41Å; P596-P732 HydrophobicContact CG-CG 4.39Å; V597-P732 WeakPolarHBondContact O-CA 3.17Å; I599-P732 HydrophobicContact CD1-CB 4.28Å; I599-P732 HydrophobicContact CD1-CG 3.61Å; I599-P732 HydrophobicContact CG1-CB 4.04Å; I599-P732 HydrophobicContact CG1-CG 3.9Å; Q619-P732 HydrophobicContact CB-CG 4.41Å; Q619-P732 WeakPolarHBondContact O-CD 3.27Å; M730-P732 WeakPolarHBondContact O-CD 3.3Å
733	I	97.1	Very high	88.5	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.4	170.5	-61.6	178.8	0	0	0	108.5	V597 Y598 I599 V623 V625 V722 V735	V597-I733 PolarHBondContact O-N 3.02Å; Y598-I733 CarbonylContact C-O 3.52Å; Y598-I733 VanDerWaalsContact CA-O 3.27Å; Y598-I733 WeakPolarHBondContact CA-O 3.45Å; Y598-I733 HydrophobicContact CD1-CB 4.16Å; I599-I733 PolarHBondContact N-O 3.16Å; V623-I733 HydrophobicContact CB-CG1 4.24Å; V623-I733 HydrophobicContact CB-CG2 4.38Å; V623-I733 HydrophobicContact CG1-CG1 4.4Å; V623-I733 HydrophobicContact CG1-CG2 4.02Å; V625-I733 HydrophobicContact CG2-CG2 3.77Å; V722-I733 HydrophobicContact CG1-CD1 4.03Å; I733-V735 HydrophobicContact CG2-CG2 3.85Å; I733-V735 PolarHBondContact O-N 3.49Å
734	V	98.5	Very high	88.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.1	170.9	-178.8	0	0	0	0	108.2	I599 T601 F612 M615 V616 C621 V623 I624 V625	I599-V734 HydrophobicContact CB-CG2 4.33Å; I599-V734 HydrophobicContact CD1-CG2 4.36Å; I599-V734 WeakPolarHBondContact O-CA 3.33Å; T601-V734 HydrophobicContact CG2-CG1 3.83Å; F612-V734 HydrophobicContact CE2-CG1 3.95Å; F612-V734 HydrophobicContact CZ-CG1 4.17Å; M615-V734 HydrophobicContact CE-CG1 4.04Å; M615-V734 HydrophobicContact CE-CG2 4.45Å; V616-V734 HydrophobicContact CG2-CG2 4.31Å; C621-V734 HydrophobicContact CB-CG2 3.77Å; C621-V734 VanDerWaalsContact SG-CG2 3.51Å; V623-V734 PolarHBondContact O-N 3.16Å; V623-V734 VanDerWaalsContact O-N 3.08Å; I624-V734 CarbonylContact C-O 3.44Å; I624-V734 WeakPolarHBondContact CA-O 3.36Å; I624-V734 HydrophobicContact CG1-CB 4.25Å; I624-V734 HydrophobicContact CG2-CB 4.48Å; I624-V734 HydrophobicContact CG2-CG1 4.49Å; V625-V734 PolarHBondContact N-O 3.33Å
735	V	98.7	Very high	89.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	176.6	-170.9	0	0	0	0	108.2	Y598 I599 T601 V625 L627 I733 T744 Y747 I748	Y598-V735 HydrophobicContact CD1-CG2 4.34Å; I599-V735 PolarHBondContact O-N 2.89Å; T601-V735 PolarHBondContact N-O 2.81Å; T601-V735 VanDerWaalsContact N-O 3.12Å; V625-V735 HydrophobicContact CB-CB 4.42Å; V625-V735 HydrophobicContact CB-CG1 4.17Å; V625-V735 HydrophobicContact CB-CG2 4.19Å; V625-V735 HydrophobicContact CG1-CG1 4.07Å; V625-V735 WeakPolarHBondContact O-CA 3.26Å; L627-V735 HydrophobicContact CD1-CG1 3.91Å; I733-V735 HydrophobicContact CG2-CG2 3.85Å; I733-V735 PolarHBondContact O-N 3.49Å; V735-T744 HydrophobicContact CB-CG2 4.07Å; V735-T744 HydrophobicContact CG1-CG2 3.87Å; V735-Y747 HydrophobicContact CG1-CD1 3.74Å; V735-Y747 HydrophobicContact CG1-CE1 4.44Å; V735-Y747 HydrophobicContact CG1-CG 4.44Å; V735-Y747 HydrophobicContact CG2-CD1 4.13Å; V735-Y747 HydrophobicContact CG2-CE1 4.2Å; V735-I748 HydrophobicContact CB-CD1 3.99Å; V735-I748 HydrophobicContact CB-CG1 4.17Å; V735-I748 HydrophobicContact CG1-CD1 4.41Å; V735-I748 HydrophobicContact CG1-CG1 4.22Å; V735-I748 HydrophobicContact CG2-CD1 4.08Å; V735-I748 HydrophobicContact CG2-CG1 3.94Å
736	H	98.5	Very high	89.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.1	179.1	79.3	89.8	0	0	0	114.1	T601 T603 V625 C626 L627 Y651 T744	T601-H736 HydrophobicContact CG2-CB 3.58Å; T601-H736 VanDerWaalsContact O-CA 3.32Å; T601-H736 WeakPolarHBondContact O-CA 3.4Å; T601-H736 WeakPolarHBondContact O-CB 3.27Å; T603-H736 PolarHBondContact OG1-ND1 3.42Å; V625-H736 PolarHBondContact O-CD2 2.91Å; V625-H736 PolarHBondContact O-N 3.28Å; C626-H736 WeakPolarHBondContact CA-NE2 3.39Å; C626-H736 VanDerWaalsContact CB-NE2 3.32Å; C626-H736 WeakPolarHBondContact CB-NE2 3.28Å; C626-H736 PolarHBondContact SG-CE1 2.97Å; L627-H736 PolarHBondContact N-O 3.39Å; Y651-H736 AromaticContact CE1-CE1 3.64Å; Y651-H736 AromaticContact CE1-NE2 3.51Å; Y651-H736 AromaticContact CZ-NE2 3.57Å; Y651-H736 PolarHBondContact OH-NE2 3.12Å; H736-T744 WeakPolarHBondContact CA-OG1 3.29Å
737	C	96.6	Very high	90.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	-177.5	164.1	61.6	0	0	0	0	107.4	I602 T603 L627 D739 G740 R743 T744	I602-C737 CarbonylContact C-O 3.58Å; T603-C737 PolarHBondContact N-O 3.46Å; T603-C737 PolarHBondContact OG1-O 2.77Å; L627-C737 HydrophobicContact CB-CB 4.23Å; C737-D739 VanDerWaalsContact C-N 3.35Å; C737-D739 PolarHBondContact O-N 3.23Å; C737-D739 PolarHBondContact SG-OD1 3.04Å; C737-G740 PolarHBondContact O-N 3.37Å; C737-R743 HydrophobicContact CB-CB 3.9Å; C737-T744 PolarHBondContact N-OG1 3.32Å; C737-T744 PolarHBondContact SG-N 3.2Å; C737-T744 VanDerWaalsContact SG-N 3.37Å; C737-T744 PolarHBondContact SG-OG1 3.38Å
738	C	95.2	Very high	91.9	Very high	32 Å²	32	16 Å²	16	22%	0.216	9%	0.088	C	C	.	.	S	Bend	trans	-45.9	-53.7	-175.4	-175.6	0	0	0	0	113.3	R561 T603 E628	R561-C738 VanDerWaalsContact CD-O 3.24Å; R561-C738 WeakPolarHBondContact CD-O 3.34Å; T603-C738 PolarHBondContact OG1-N 2.68Å; E628-C738 WeakPolarHBondContact OE2-CA 3.5Å; E628-C738 WeakPolarHBondContact OE2-CB 3.44Å; E628-C738 PolarHBondContact OE2-N 2.84Å
739	D	94.9	Very high	93.7	Very high	17 Å²	17	15.1 Å²	15.1	9%	0.091	8%	0.08	C	C	.	.	S	Bend	trans	-94.6	-8.4	179.2	57.3	20.7	0	0	0	114.9	C563 A564 C737 C741 G742 R777 K782	C563-D739 WeakPolarHBondContact O-CB 3.5Å; A564-D739 HydrophobicContact CB-CB 4.18Å; C737-D739 VanDerWaalsContact C-N 3.35Å; C737-D739 PolarHBondContact O-N 3.23Å; C737-D739 PolarHBondContact SG-OD1 3.04Å; D739-C741 PolarHBondContact O-N 3.25Å; D739-C741 PolarHBondContact OD1-N 3.19Å; D739-G742 PolarHBondContact OD1-N 3.43Å; D739-R777 PolarHBondContact O-NH2 3.09Å; D739-K782 WeakPolarHBondContact OD2-CD 3.48Å; D739-K782 WeakPolarHBondContact OD2-CE 3.19Å; D739-K782 IonicContact OD2-NZ 3.94Å; D739-K782 PolarHBondContact OD2-NZ 3.31Å
740	G	96.7	Very high	95.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	62.2	20.7	-175.9	0	0	0	0	0	114.7	T601 C737 R777	T601-G740 WeakPolarHBondContact O-CA 3.47Å; C737-G740 PolarHBondContact O-N 3.37Å; G740-R777 PolarHBondContact O-NE 3.03Å
741	C	95.9	Very high	96.7	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.007	3%	0.027	C	C	.	.	S	Bend	trans	-138.7	-34	179.1	72.9	0	0	0	0	114.8	P565 D739 G745 N779 M780 I781	P565-C741 HydrophobicContact CG-CB 3.96Å; D739-C741 PolarHBondContact O-N 3.25Å; D739-C741 PolarHBondContact OD1-N 3.19Å; C741-G745 VanDerWaalsContact O-CA 3.25Å; C741-G745 WeakPolarHBondContact O-CA 3.37Å; C741-G745 PolarHBondContact O-N 2.87Å; C741-N779 WeakPolarHBondContact CB-O 3.43Å; C741-N779 PolarHBondContact SG-O 3.12Å; C741-M780 HydrophobicContact CB-SD 4.08Å; C741-I781 PolarHBondContact O-N 3.25Å
742	G	96	Very high	97	Very high	1 Å²	1	4 Å²	4	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-68.5	-88.9	179.2	0	0	0	0	0	112.6	D739 T744 G745 A746	D739-G742 PolarHBondContact OD1-N 3.43Å; G742-T744 PolarHBondContact O-N 3.46Å; G742-G745 PolarHBondContact O-N 3.24Å; G742-A746 PolarHBondContact O-N 3.01Å
743	R	97.2	Very high	97	Very high	26 Å²	26	3.9 Å²	3.9	10%	0.098	2%	0.021	C	C	.	.	H	α-helix	trans	-55.2	-40.9	175.4	-60.4	-179.1	-91.6	-168.4	-12.8	111.9	L627 E628 E632 W703 C737 G745 A746 Y747	L627-R743 HydrophobicContact CB-CB 4.1Å; L627-R743 HydrophobicContact CD1-CB 4.07Å; L627-R743 WeakPolarHBondContact CD1-O 3.5Å; L627-R743 PolarHBondContact O-NH1 3.17Å; E628-R743 IonicContact OE1-NH2 3.2Å; E628-R743 PolarHBondContact OE1-NH2 2.97Å; E628-R743 IonicContact OE2-CZ 3.25Å; E628-R743 IonicContact OE2-NH2 3.47Å; E628-R743 PolarHBondContact OE2-NH2 3.38Å; E632-R743 IonicContact OE1-NH1 3.22Å; E632-R743 IonicContact OE1-NH2 2.92Å; E632-R743 IonicContact OE2-CZ 2.81Å; E632-R743 IonicContact OE2-NH1 2.62Å; E632-R743 PolarHBondContact OE2-NH1 3.27Å; E632-R743 IonicContact OE2-NH2 3.33Å; E632-R743 PolarHBondContact OE2-NH2 3.45Å; W703-R743 VanDerWaalsContact CD1-CD 3.49Å; W703-R743 HydrophobicContact CD2-CB 4.34Å; W703-R743 HydrophobicContact CD2-CG 4.05Å; W703-R743 HydrophobicContact CG-CG 4.08Å; W703-R743 HydrophobicContact CZ2-CB 4.45Å; W703-R743 HydrophobicContact CZ2-CG 4.41Å; C737-R743 HydrophobicContact CB-CB 3.9Å; R743-G745 PolarHBondContact O-N 3.4Å; R743-A746 PolarHBondContact O-N 3.5Å; R743-Y747 WeakPolarHBondContact O-CB 3.19Å; R743-Y747 PolarHBondContact O-N 2.93Å
744	T	98.4	Very high	96.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-58.4	-46	176.1	-65.1	0	0	0	0	111.5	A600 V735 H736 C737 G742 I748	A600-T744 HydrophobicContact CB-CG2 3.73Å; V735-T744 HydrophobicContact CB-CG2 4.07Å; V735-T744 HydrophobicContact CG1-CG2 3.87Å; H736-T744 WeakPolarHBondContact CA-OG1 3.29Å; C737-T744 PolarHBondContact N-OG1 3.32Å; C737-T744 PolarHBondContact SG-N 3.2Å; C737-T744 VanDerWaalsContact SG-N 3.37Å; C737-T744 PolarHBondContact SG-OG1 3.38Å; G742-T744 PolarHBondContact O-N 3.46Å; T744-I748 HydrophobicContact CG2-CD1 3.81Å; T744-I748 WeakPolarHBondContact O-CB 3.47Å; T744-I748 VanDerWaalsContact O-CG1 3.23Å; T744-I748 WeakPolarHBondContact O-CG1 3.36Å; T744-I748 PolarHBondContact O-N 2.89Å
745	G	98.1	Very high	96.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.6	-39.8	178.3	0	0	0	0	0	112.9	C741 G742 R743 I748 L749 M780	C741-G745 VanDerWaalsContact O-CA 3.25Å; C741-G745 WeakPolarHBondContact O-CA 3.37Å; C741-G745 PolarHBondContact O-N 2.87Å; G742-G745 PolarHBondContact O-N 3.24Å; R743-G745 PolarHBondContact O-N 3.4Å; G745-I748 PolarHBondContact O-N 3.37Å; G745-L749 VanDerWaalsContact O-CB 3.3Å; G745-L749 WeakPolarHBondContact O-CB 3.32Å; G745-L749 PolarHBondContact O-N 3.22Å; G745-M780 VanDerWaalsContact CA-CE 3.41Å
746	A	97.8	Very high	95.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.8	-48	177.7	0	0	0	0	0	111.5	W703 G742 R743 I748 L749 L750 I781 Q786 V790	W703-A746 HydrophobicContact CH2-CB 3.75Å; W703-A746 HydrophobicContact CZ2-CB 3.91Å; G742-A746 PolarHBondContact O-N 3.01Å; R743-A746 PolarHBondContact O-N 3.5Å; A746-I748 PolarHBondContact O-N 3.26Å; A746-L749 PolarHBondContact O-N 3.16Å; A746-L750 WeakPolarHBondContact O-CB 3.35Å; A746-L750 PolarHBondContact O-N 2.86Å; A746-I781 HydrophobicContact CB-CD1 4.37Å; A746-I781 HydrophobicContact CB-CG1 4.38Å; A746-Q786 HydrophobicContact CB-CB 4.47Å; A746-V790 HydrophobicContact CB-CG2 3.89Å; A746-V790 VanDerWaalsContact O-CG2 3.32Å; A746-V790 WeakPolarHBondContact O-CG2 3.24Å
747	Y	98.4	Very high	95.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.3	-46.6	176	179	-95.1	0	0	0	112.6	V625 L627 M715 F718 R719 V722 V735 R743 L750 D751	V625-Y747 HydrophobicContact CB-CE1 4.35Å; V625-Y747 HydrophobicContact CG1-CD1 4.17Å; V625-Y747 HydrophobicContact CG1-CE1 3.91Å; V625-Y747 HydrophobicContact CG1-CE2 4.37Å; V625-Y747 HydrophobicContact CG1-CG 4.5Å; V625-Y747 HydrophobicContact CG2-CE1 4.05Å; L627-Y747 HydrophobicContact CD1-CG 4.18Å; L627-Y747 HydrophobicContact CD2-CD2 4.4Å; M715-Y747 HydrophobicContact SD-CD2 3.59Å; M715-Y747 VanDerWaalsContact SD-CD2 3.59Å; M715-Y747 HydrophobicContact SD-CE2 3.96Å; F718-Y747 AromaticContact CD1-CE2 3.84Å; F718-Y747 HydrophobicContact CD1-CE2 3.84Å; F718-Y747 HydrophobicContact CE1-CD2 4.45Å; F718-Y747 AromaticContact CE1-CE2 3.74Å; F718-Y747 HydrophobicContact CE1-CE2 3.74Å; R719-Y747 HydrophobicContact CB-CE2 4.42Å; V722-Y747 WeakPolarHBondContact CB-OH 3.39Å; V722-Y747 WeakPolarHBondContact CG1-OH 3.41Å; V722-Y747 WeakPolarHBondContact CG2-OH 3.5Å; V735-Y747 HydrophobicContact CG1-CD1 3.74Å; V735-Y747 HydrophobicContact CG1-CE1 4.44Å; V735-Y747 HydrophobicContact CG1-CG 4.44Å; V735-Y747 HydrophobicContact CG2-CD1 4.13Å; V735-Y747 HydrophobicContact CG2-CE1 4.2Å; R743-Y747 WeakPolarHBondContact O-CB 3.19Å; R743-Y747 PolarHBondContact O-N 2.93Å; Y747-L750 PolarHBondContact O-N 2.81Å; Y747-D751 WeakPolarHBondContact O-CB 3.4Å; Y747-D751 PolarHBondContact O-N 2.94Å
748	I	98.5	Very high	94.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66	-42.1	-178.7	-69.7	176.4	0	0	0	111.1	L588 Y598 A600 V735 T744 G745 A746 D751 L752 L773 M780	L588-I748 HydrophobicContact CD1-CD1 3.62Å; L588-I748 HydrophobicContact CD1-CG2 4.21Å; Y598-I748 HydrophobicContact CD1-CG1 4.3Å; Y598-I748 HydrophobicContact CD2-CG2 3.77Å; Y598-I748 HydrophobicContact CE2-CG2 3.96Å; Y598-I748 HydrophobicContact CG-CD1 4.3Å; Y598-I748 HydrophobicContact CG-CG1 4.29Å; Y598-I748 HydrophobicContact CG-CG2 4.13Å; A600-I748 HydrophobicContact CB-CD1 4.06Å; V735-I748 HydrophobicContact CB-CD1 3.99Å; V735-I748 HydrophobicContact CB-CG1 4.17Å; V735-I748 HydrophobicContact CG1-CD1 4.41Å; V735-I748 HydrophobicContact CG1-CG1 4.22Å; V735-I748 HydrophobicContact CG2-CD1 4.08Å; V735-I748 HydrophobicContact CG2-CG1 3.94Å; T744-I748 HydrophobicContact CG2-CD1 3.81Å; T744-I748 WeakPolarHBondContact O-CB 3.47Å; T744-I748 VanDerWaalsContact O-CG1 3.23Å; T744-I748 WeakPolarHBondContact O-CG1 3.36Å; T744-I748 PolarHBondContact O-N 2.89Å; G745-I748 PolarHBondContact O-N 3.37Å; A746-I748 PolarHBondContact O-N 3.26Å; I748-D751 PolarHBondContact O-N 3.32Å; I748-L752 WeakPolarHBondContact O-CB 3.43Å; I748-L752 PolarHBondContact O-N 3.05Å; I748-L773 HydrophobicContact CG2-CD1 4.1Å; I748-L773 HydrophobicContact CG2-CD2 3.88Å; I748-M780 HydrophobicContact CD1-CE 4.17Å
749	L	97.9	Very high	94	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-46.8	177.9	-175.7	63	0	0	0	111.1	G745 A746 D751 L752 V753 I766 L770 L773 I781 V790	G745-L749 VanDerWaalsContact O-CB 3.3Å; G745-L749 WeakPolarHBondContact O-CB 3.32Å; G745-L749 PolarHBondContact O-N 3.22Å; A746-L749 PolarHBondContact O-N 3.16Å; L749-D751 VanDerWaalsContact C-N 3.34Å; L749-D751 PolarHBondContact O-N 2.84Å; L749-L752 PolarHBondContact O-N 2.92Å; L749-V753 HydrophobicContact CD1-CG2 3.99Å; L749-V753 HydrophobicContact CG-CG2 4.36Å; L749-V753 WeakPolarHBondContact O-CB 3.48Å; L749-V753 VanDerWaalsContact O-CG2 3.28Å; L749-V753 WeakPolarHBondContact O-CG2 3.47Å; L749-V753 PolarHBondContact O-N 2.85Å; L749-I766 HydrophobicContact CD2-CG2 3.9Å; L749-I766 HydrophobicContact CG-CG2 4.43Å; L749-L770 HydrophobicContact CD1-CB 4.37Å; L749-L770 HydrophobicContact CD2-CB 3.98Å; L749-L770 HydrophobicContact CD2-CD1 4.25Å; L749-L770 HydrophobicContact CD2-CD2 4.31Å; L749-L770 HydrophobicContact CD2-CG 4.42Å; L749-L773 HydrophobicContact CB-CD1 3.85Å; L749-L773 HydrophobicContact CD1-CD1 3.98Å; L749-L773 HydrophobicContact CG-CD1 4.49Å; L749-I781 HydrophobicContact CB-CD1 4.09Å; L749-I781 HydrophobicContact CD2-CD1 3.47Å; L749-I781 VanDerWaalsContact CD2-CD1 3.47Å; L749-I781 HydrophobicContact CG-CD1 4.44Å; L749-V790 HydrophobicContact CB-CG1 4.24Å; L749-V790 HydrophobicContact CD2-CB 4.42Å; L749-V790 HydrophobicContact CD2-CG1 3.88Å; L749-V790 HydrophobicContact CG-CG1 3.87Å
750	L	97.6	Very high	92.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-47.8	175.1	179	63	0	0	0	111.1	M715 L716 A746 Y747 L754 V790 T794	M715-L750 HydrophobicContact CG-CD2 3.9Å; L716-L750 HydrophobicContact CD2-CD1 4.33Å; L716-L750 HydrophobicContact CD2-CD2 4.25Å; A746-L750 WeakPolarHBondContact O-CB 3.35Å; A746-L750 PolarHBondContact O-N 2.86Å; Y747-L750 PolarHBondContact O-N 2.81Å; L750-L754 HydrophobicContact CD1-CD1 3.59Å; L750-L754 HydrophobicContact CD1-CG 4.19Å; L750-L754 HydrophobicContact CG-CD1 3.99Å; L750-L754 WeakPolarHBondContact O-CB 3.47Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.88Å; L750-L754 VanDerWaalsContact O-N 3.1Å; L750-V790 HydrophobicContact CB-CG1 4.16Å; L750-V790 HydrophobicContact CB-CG2 4.5Å; L750-T794 WeakPolarHBondContact CD1-OG1 3.36Å
751	D	97.3	Very high	91.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65	-44	179.9	-173.1	48.4	0	0	0	113.2	Y598 R719 N723 R727 Y747 I748 L749 N755	Y598-D751 VanDerWaalsContact CE1-OD2 3.3Å; Y598-D751 WeakPolarHBondContact CE1-OD2 3.42Å; Y598-D751 PolarHBondContact OH-OD2 3.46Å; R719-D751 IonicContact CZ-OD1 2.92Å; R719-D751 VanDerWaalsContact CZ-OD1 3.25Å; R719-D751 IonicContact NE-OD1 3.04Å; R719-D751 PolarHBondContact NE-OD1 3.28Å; R719-D751 PolarHBondContact NH2-O 3.31Å; R719-D751 IonicContact NH2-OD1 3.3Å; R719-D751 PolarHBondContact NH2-OD1 2.89Å; N723-D751 PolarHBondContact ND2-OD1 3.36Å; N723-D751 PolarHBondContact OD1-OD1 2.94Å; R727-D751 IonicContact NH2-OD2 3.78Å; Y747-D751 WeakPolarHBondContact O-CB 3.4Å; Y747-D751 PolarHBondContact O-N 2.94Å; I748-D751 PolarHBondContact O-N 3.32Å; L749-D751 VanDerWaalsContact C-N 3.34Å; L749-D751 PolarHBondContact O-N 2.84Å; D751-N755 VanDerWaalsContact CG-ND2 3.25Å; D751-N755 VanDerWaalsContact O-CB 3.25Å; D751-N755 WeakPolarHBondContact O-CB 3.46Å; D751-N755 PolarHBondContact O-N 2.82Å; D751-N755 PolarHBondContact O-ND2 3.45Å; D751-N755 PolarHBondContact OD1-ND2 2.85Å; D751-N755 PolarHBondContact OD2-ND2 3.43Å
752	L	94.6	Very high	90.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-48.9	180	177.7	150.1	0	0	0	111.3	D590 I748 L749 N755 R756 L773	D590-L752 HydrophobicContact CB-CD1 4.42Å; I748-L752 WeakPolarHBondContact O-CB 3.43Å; I748-L752 PolarHBondContact O-N 3.05Å; L749-L752 PolarHBondContact O-N 2.92Å; L752-N755 PolarHBondContact O-N 2.87Å; L752-R756 WeakPolarHBondContact O-CG 3.2Å; L752-R756 PolarHBondContact O-N 2.87Å; L752-L773 HydrophobicContact CD1-CD2 4.18Å
753	V	93.7	Very high	88.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-48.3	-178.5	170.3	0	0	0	0	110.8	L749 N755 R756 I757 I764 I766 T794	L749-V753 HydrophobicContact CD1-CG2 3.99Å; L749-V753 HydrophobicContact CG-CG2 4.36Å; L749-V753 WeakPolarHBondContact O-CB 3.48Å; L749-V753 VanDerWaalsContact O-CG2 3.28Å; L749-V753 WeakPolarHBondContact O-CG2 3.47Å; L749-V753 PolarHBondContact O-N 2.85Å; V753-N755 VanDerWaalsContact C-N 3.31Å; V753-N755 PolarHBondContact O-N 3.48Å; V753-R756 WeakPolarHBondContact O-CB 3.41Å; V753-R756 PolarHBondContact O-N 2.89Å; V753-I757 HydrophobicContact CG1-CD1 4.02Å; V753-I757 WeakPolarHBondContact O-CG1 3.47Å; V753-I757 PolarHBondContact O-N 2.82Å; V753-I764 HydrophobicContact CG1-CG2 3.65Å; V753-I766 HydrophobicContact CG1-CD1 4.32Å; V753-I766 HydrophobicContact CG1-CG1 4.12Å; V753-I766 HydrophobicContact CG2-CG1 4.11Å; V753-T794 HydrophobicContact CG1-CG2 3.73Å
754	L	93.6	Very high	87.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-32.4	178.3	-71.5	173.9	0	0	0	112.7	L716 R719 L750 R756 I757 T758 T794 E797	L716-L754 HydrophobicContact CD2-CD1 3.81Å; R719-L754 VanDerWaalsContact NH2-CB 3.3Å; L750-L754 HydrophobicContact CD1-CD1 3.59Å; L750-L754 HydrophobicContact CD1-CG 4.19Å; L750-L754 HydrophobicContact CG-CD1 3.99Å; L750-L754 WeakPolarHBondContact O-CB 3.47Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.88Å; L750-L754 VanDerWaalsContact O-N 3.1Å; L754-R756 VanDerWaalsContact C-N 3.33Å; L754-I757 HydrophobicContact CD2-CD1 3.87Å; L754-I757 PolarHBondContact O-N 3.21Å; L754-T758 WeakPolarHBondContact O-CG2 3.42Å; L754-T758 PolarHBondContact O-N 3.07Å; L754-T758 PolarHBondContact O-OG1 3.4Å; L754-T794 HydrophobicContact CD2-CG2 3.85Å; L754-T794 HydrophobicContact CG-CG2 4.36Å; L754-E797 HydrophobicContact CD1-CB 4.05Å; L754-E797 HydrophobicContact CD1-CG 3.85Å; L754-E797 HydrophobicContact CD2-CB 3.71Å; L754-E797 HydrophobicContact CD2-CG 3.63Å; L754-E797 HydrophobicContact CG-CG 4.37Å
755	N	90.3	Very high	87	Confident	28 Å²	28	33.9 Å²	33.9	15%	0.15	17%	0.171	C	C	.	.	H	α-helix	trans	-69.4	-30	172.1	-74.4	-30.1	0	0	0	112.7	R719 D751 L752 V753 T758 K759	R719-N755 PolarHBondContact NH2-OD1 2.89Å; D751-N755 VanDerWaalsContact CG-ND2 3.25Å; D751-N755 VanDerWaalsContact O-CB 3.25Å; D751-N755 WeakPolarHBondContact O-CB 3.46Å; D751-N755 PolarHBondContact O-N 2.82Å; D751-N755 PolarHBondContact O-ND2 3.45Å; D751-N755 PolarHBondContact OD1-ND2 2.85Å; D751-N755 PolarHBondContact OD2-ND2 3.43Å; L752-N755 PolarHBondContact O-N 2.87Å; V753-N755 VanDerWaalsContact C-N 3.31Å; V753-N755 PolarHBondContact O-N 3.48Å; N755-T758 WeakPolarHBondContact CA-OG1 3.46Å; N755-T758 PolarHBondContact O-OG1 2.83Å; N755-K759 WeakPolarHBondContact O-CB 3.23Å; N755-K759 WeakPolarHBondContact O-CD 3.17Å; N755-K759 WeakPolarHBondContact O-CG 3.35Å; N755-K759 PolarHBondContact O-N 2.8Å
756	R	87	Confident	86.6	Confident	45 Å²	45	34 Å²	34	17%	0.17	17%	0.172	C	C	.	.	H	α-helix	trans	-70.6	-43	172.7	-73.9	175.7	176.7	-178.1	-3.4	111.1	D590 L752 V753 L754 K759 G760 V761 S769	D590-R756 IonicContact OD1-CZ 3.74Å; D590-R756 IonicContact OD1-NE 3.94Å; D590-R756 PolarHBondContact OD1-NE 2.77Å; D590-R756 IonicContact OD1-NH2 2.68Å; D590-R756 PolarHBondContact OD1-NH2 2.87Å; L752-R756 WeakPolarHBondContact O-CG 3.2Å; L752-R756 PolarHBondContact O-N 2.87Å; V753-R756 WeakPolarHBondContact O-CB 3.41Å; V753-R756 PolarHBondContact O-N 2.89Å; L754-R756 VanDerWaalsContact C-N 3.33Å; R756-K759 PolarHBondContact O-N 2.99Å; R756-G760 PolarHBondContact O-N 3.18Å; R756-V761 HydrophobicContact CB-CB 4.04Å; R756-V761 HydrophobicContact CB-CG2 3.88Å; R756-V761 HydrophobicContact CG-CG2 4.28Å; R756-V761 WeakPolarHBondContact O-CB 3.38Å; R756-V761 WeakPolarHBondContact O-CG2 2.99Å; R756-V761 PolarHBondContact O-N 3.33Å; R756-S769 PolarHBondContact NH1-OG 3.01Å
757	I	86.6	Confident	86.1	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-53.8	-55	173.5	-70.1	167.2	0	0	0	110.4	I508 M520 V753 L754 K759 G760 I764 T794 V798 M801	I508-I757 HydrophobicContact CD1-CG2 3.61Å; M520-I757 HydrophobicContact CE-CD1 4.44Å; V753-I757 HydrophobicContact CG1-CD1 4.02Å; V753-I757 WeakPolarHBondContact O-CG1 3.47Å; V753-I757 PolarHBondContact O-N 2.82Å; L754-I757 HydrophobicContact CD2-CD1 3.87Å; L754-I757 PolarHBondContact O-N 3.21Å; I757-K759 PolarHBondContact O-N 3.32Å; I757-G760 PolarHBondContact O-N 3.36Å; I757-I764 HydrophobicContact CB-CD1 4.12Å; I757-I764 HydrophobicContact CD1-CD1 3.83Å; I757-I764 HydrophobicContact CG1-CD1 2.99Å; I757-I764 HydrophobicContact CG1-CG1 4.48Å; I757-T794 HydrophobicContact CD1-CG2 3.73Å; I757-V798 HydrophobicContact CD1-CG2 3.62Å; I757-V798 HydrophobicContact CG2-CG2 4.37Å; I757-M801 HydrophobicContact CG2-SD 4.28Å
758	T	84.6	Confident	85.6	Confident	37 Å²	37	35.8 Å²	35.8	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-25.4	-176.3	55.8	0	0	0	0	113.4	S507 L754 N755 G760 M801	S507-T758 PolarHBondContact OG-O 3.38Å; L754-T758 WeakPolarHBondContact O-CG2 3.42Å; L754-T758 PolarHBondContact O-N 3.07Å; L754-T758 PolarHBondContact O-OG1 3.4Å; N755-T758 WeakPolarHBondContact CA-OG1 3.46Å; N755-T758 PolarHBondContact O-OG1 2.83Å; T758-G760 VanDerWaalsContact C-N 3.27Å; T758-G760 PolarHBondContact O-N 3.05Å; T758-M801 HydrophobicContact CG2-CE 3.7Å; T758-M801 HydrophobicContact CG2-SD 4.41Å
759	K	78.6	Confident	85.2	Confident	142 Å²	142	36 Å²	36	62%	0.617	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.3	172.9	-71.6	172.3	-172.5	174.6	0	114	N755 R756 I757	N755-K759 WeakPolarHBondContact O-CB 3.23Å; N755-K759 WeakPolarHBondContact O-CD 3.17Å; N755-K759 WeakPolarHBondContact O-CG 3.35Å; N755-K759 PolarHBondContact O-N 2.8Å; R756-K759 PolarHBondContact O-N 2.99Å; I757-K759 PolarHBondContact O-N 3.32Å
760	G	72.9	Confident	85	Confident	37 Å²	37	36 Å²	36	38%	0.381	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	23.8	177.8	0	0	0	0	0	114.7	R756 I757 T758 K762	R756-G760 PolarHBondContact O-N 3.18Å; I757-G760 PolarHBondContact O-N 3.36Å; T758-G760 VanDerWaalsContact C-N 3.27Å; T758-G760 PolarHBondContact O-N 3.05Å; G760-K762 PolarHBondContact O-N 3.2Å
761	V	74.1	Confident	84.6	Confident	60 Å²	60	36.5 Å²	36.5	36%	0.364	19%	0.19	S	C	.	.			trans	-67.3	115.9	169.4	179.7	0	0	0	0	108.3	R756 E763 I764	R756-V761 HydrophobicContact CB-CB 4.04Å; R756-V761 HydrophobicContact CB-CG2 3.88Å; R756-V761 HydrophobicContact CG-CG2 4.28Å; R756-V761 WeakPolarHBondContact O-CB 3.38Å; R756-V761 WeakPolarHBondContact O-CG2 2.99Å; R756-V761 PolarHBondContact O-N 3.33Å; V761-E763 WeakPolarHBondContact CG1-O 3.33Å; V761-I764 HydrophobicContact CG1-CG1 4.5Å
762	K	62.2	Low	84.2	Confident	153 Å²	153	37.1 Å²	37.1	67%	0.665	19%	0.193	S	C	*	.	S	Bend	trans	-76.5	-29.4	-169.7	-64.5	-174.4	176.9	-175.1	0	114.6	G760	G760-K762 PolarHBondContact O-N 3.2Å
763	E	64.5	Low	84.2	Confident	141 Å²	141	37 Å²	37	66%	0.659	19%	0.193	S	C	*	.			trans	-119.3	125.9	-177.7	-69.3	179.7	-174.9	0	0	109.3	V761	V761-E763 WeakPolarHBondContact CG1-O 3.33Å
764	I	76	Confident	84.1	Confident	22 Å²	22	37.3 Å²	37.3	11%	0.113	19%	0.194	C	C	.	.			trans	-130.3	110.1	-172.7	-57.5	-168.6	0	0	0	109.2	I516 V753 I757 V761 I766	I516-I764 HydrophobicContact CD1-CD1 3.92Å; I516-I764 HydrophobicContact CD1-CG1 4.29Å; V753-I764 HydrophobicContact CG1-CG2 3.65Å; I757-I764 HydrophobicContact CB-CD1 4.12Å; I757-I764 HydrophobicContact CD1-CD1 3.83Å; I757-I764 HydrophobicContact CG1-CD1 2.99Å; I757-I764 HydrophobicContact CG1-CG1 4.48Å; V761-I764 HydrophobicContact CG1-CG1 4.5Å; I764-I766 HydrophobicContact CG2-CG1 4.26Å
765	D	83.3	Confident	83.8	Confident	41 Å²	41	38.2 Å²	38.2	22%	0.219	20%	0.199	C	C	.	.			trans	-107.2	103.5	174.2	-173.7	-22.3	0	0	0	108	S352 A767 A768 S769	S352-D765 PolarHBondContact OG-OD2 3.07Å; D765-A767 VanDerWaalsContact C-N 3.32Å; D765-A767 WeakPolarHBondContact OD1-CB 3.49Å; D765-A767 PolarHBondContact OD1-N 3.33Å; D765-A767 VanDerWaalsContact OD1-N 3.11Å; D765-A768 HydrophobicContact CB-CB 3.87Å; D765-A768 VanDerWaalsContact CG-CB 3.44Å; D765-A768 PolarHBondContact OD1-N 3.11Å; D765-S769 WeakPolarHBondContact O-CB 3.38Å; D765-S769 PolarHBondContact O-N 2.83Å; D765-S769 PolarHBondContact O-OG 3.45Å
766	I	88.8	Confident	83.9	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-35.6	-179.3	-68.7	176.7	0	0	0	110.4	M520 L749 V753 I764 S769 L770 Y787 L791 T794	M520-I766 HydrophobicContact CE-CD1 3.78Å; L749-I766 HydrophobicContact CD2-CG2 3.9Å; L749-I766 HydrophobicContact CG-CG2 4.43Å; V753-I766 HydrophobicContact CG1-CD1 4.32Å; V753-I766 HydrophobicContact CG1-CG1 4.12Å; V753-I766 HydrophobicContact CG2-CG1 4.11Å; I764-I766 HydrophobicContact CG2-CG1 4.26Å; I766-S769 PolarHBondContact O-N 3.49Å; I766-L770 PolarHBondContact O-N 3.1Å; I766-Y787 HydrophobicContact CG2-CE2 3.89Å; I766-L791 HydrophobicContact CB-CD2 4.24Å; I766-L791 HydrophobicContact CD1-CD2 3.42Å; I766-L791 VanDerWaalsContact CD1-CD2 3.42Å; I766-L791 HydrophobicContact CD1-CG 4.22Å; I766-L791 HydrophobicContact CG1-CD2 4.35Å; I766-L791 HydrophobicContact CG2-CD2 4.31Å; I766-L791 HydrophobicContact CG2-CG 4.42Å; I766-T794 HydrophobicContact CD1-CG2 4.42Å
767	A	89	Confident	84.2	Confident	20 Å²	20	35.6 Å²	35.6	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-50.2	177.4	0	0	0	0	0	110.8	I537 D765 S769 L770 E771	I537-A767 HydrophobicContact CD1-CB 3.64Å; I537-A767 HydrophobicContact CG1-CB 4.23Å; D765-A767 VanDerWaalsContact C-N 3.32Å; D765-A767 WeakPolarHBondContact OD1-CB 3.49Å; D765-A767 PolarHBondContact OD1-N 3.33Å; D765-A767 VanDerWaalsContact OD1-N 3.11Å; A767-S769 VanDerWaalsContact C-N 3.26Å; A767-S769 PolarHBondContact O-N 2.84Å; A767-L770 WeakPolarHBondContact O-CB 3.39Å; A767-L770 PolarHBondContact O-N 3.48Å; A767-E771 WeakPolarHBondContact O-CG 3.36Å; A767-E771 PolarHBondContact O-N 3.11Å
768	A	86.9	Confident	84.4	Confident	18 Å²	18	36.2 Å²	36.2	15%	0.149	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-33.4	175.7	0	0	0	0	0	112.4	D765 L770 E771 H772	D765-A768 HydrophobicContact CB-CB 3.87Å; D765-A768 VanDerWaalsContact CG-CB 3.44Å; D765-A768 PolarHBondContact OD1-N 3.11Å; A768-L770 VanDerWaalsContact C-N 3.31Å; A768-E771 PolarHBondContact O-N 2.88Å; A768-H772 WeakPolarHBondContact O-CB 3.39Å; A768-H772 PolarHBondContact O-N 2.91Å
769	S	89	Confident	84.8	Confident	5 Å²	5	38.7 Å²	38.7	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-35.3	174	-60.7	0	0	0	0	111.9	R756 D765 I766 A767 L773	R756-S769 PolarHBondContact NH1-OG 3.01Å; D765-S769 WeakPolarHBondContact O-CB 3.38Å; D765-S769 PolarHBondContact O-N 2.83Å; D765-S769 PolarHBondContact O-OG 3.45Å; I766-S769 PolarHBondContact O-N 3.49Å; A767-S769 VanDerWaalsContact C-N 3.26Å; A767-S769 PolarHBondContact O-N 2.84Å; S769-L773 WeakPolarHBondContact O-CG 3.28Å; S769-L773 PolarHBondContact O-N 2.97Å
770	L	94	Very high	85.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.9	-40.9	174.7	-177.6	50.1	0	0	0	112.4	W534 I537 L749 I766 A767 A768 H772 L773 R774 M780 I781 Y787	W534-L770 HydrophobicContact CZ3-CD2 4.47Å; I537-L770 HydrophobicContact CD1-CD2 4.23Å; I537-L770 HydrophobicContact CG2-CB 4.49Å; I537-L770 HydrophobicContact CG2-CD2 3.61Å; I537-L770 HydrophobicContact CG2-CG 3.79Å; L749-L770 HydrophobicContact CD1-CB 4.37Å; L749-L770 HydrophobicContact CD2-CB 3.98Å; L749-L770 HydrophobicContact CD2-CD1 4.25Å; L749-L770 HydrophobicContact CD2-CD2 4.31Å; L749-L770 HydrophobicContact CD2-CG 4.42Å; I766-L770 PolarHBondContact O-N 3.1Å; A767-L770 WeakPolarHBondContact O-CB 3.39Å; A767-L770 PolarHBondContact O-N 3.48Å; A768-L770 VanDerWaalsContact C-N 3.31Å; L770-H772 VanDerWaalsContact C-N 3.29Å; L770-H772 PolarHBondContact O-N 2.9Å; L770-L773 WeakPolarHBondContact O-CB 3.36Å; L770-L773 PolarHBondContact O-N 2.92Å; L770-L773 VanDerWaalsContact O-N 3.09Å; L770-R774 HydrophobicContact CD1-CG 4.48Å; L770-R774 PolarHBondContact O-N 2.75Å; L770-M780 HydrophobicContact CD1-CB 4.21Å; L770-M780 WeakPolarHBondContact CD1-O 3.45Å; L770-I781 HydrophobicContact CD1-CB 4.09Å; L770-I781 HydrophobicContact CD1-CD1 3.87Å; L770-I781 HydrophobicContact CD1-CG1 3.86Å; L770-I781 HydrophobicContact CD2-CB 4.2Å; L770-I781 HydrophobicContact CD2-CD1 4.03Å; L770-I781 HydrophobicContact CD2-CG1 4.45Å; L770-Y787 HydrophobicContact CD2-CD2 3.6Å; L770-Y787 HydrophobicContact CD2-CE2 3.86Å
771	E	90.6	Very high	86.8	Confident	9 Å²	9	30.2 Å²	30.2	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-45.9	171	-69.1	173.4	166.9	0	0	110.9	R300 S351 Y540 A767 A768 L773 R774 D775	R300-E771 IonicContact CZ-OE2 3.11Å; R300-E771 IonicContact NH1-OE1 3.88Å; R300-E771 IonicContact NH1-OE2 3.2Å; R300-E771 PolarHBondContact NH1-OE2 3.12Å; S351-E771 WeakPolarHBondContact CB-OE2 3.45Å; S351-E771 PolarHBondContact OG-OE1 3.42Å; S351-E771 PolarHBondContact OG-OE2 2.87Å; Y540-E771 HydrophobicContact CD1-CB 4.39Å; Y540-E771 HydrophobicContact CD1-CG 4.35Å; Y540-E771 HydrophobicContact CD2-CG 4.04Å; Y540-E771 HydrophobicContact CE1-CB 4.16Å; Y540-E771 HydrophobicContact CE2-CB 4.35Å; Y540-E771 HydrophobicContact CE2-CG 4.24Å; Y540-E771 HydrophobicContact CG-CG 4.1Å; A767-E771 WeakPolarHBondContact O-CG 3.36Å; A767-E771 PolarHBondContact O-N 3.11Å; A768-E771 PolarHBondContact O-N 2.88Å; E771-L773 VanDerWaalsContact C-N 3.27Å; E771-L773 PolarHBondContact O-N 3.48Å; E771-R774 CarbonylContact O-C 3.52Å; E771-R774 WeakPolarHBondContact O-CA 3.49Å; E771-R774 WeakPolarHBondContact O-CB 3.45Å; E771-R774 PolarHBondContact O-N 3.05Å; E771-D775 PolarHBondContact O-N 3.24Å
772	H	88.9	Confident	87.7	Confident	14 Å²	14	31.7 Å²	31.7	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-32	175.6	174.2	77	0	0	0	113.4	Y589 A768 L770 Q776	Y589-H772 PolarHBondContact O-NE2 3.2Å; A768-H772 WeakPolarHBondContact O-CB 3.39Å; A768-H772 PolarHBondContact O-N 2.91Å; L770-H772 VanDerWaalsContact C-N 3.29Å; L770-H772 PolarHBondContact O-N 2.9Å; H772-Q776 PolarHBondContact CD2-NE2 2.85Å; H772-Q776 PolarHBondContact CE1-NE2 3.38Å; H772-Q776 PolarHBondContact NE2-NE2 3.11Å; H772-Q776 WeakPolarHBondContact O-CG 3.28Å; H772-Q776 PolarHBondContact O-NE2 2.91Å
773	L	93.1	Very high	89.2	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-72.4	-41.1	170.6	-67.9	179	0	0	0	111.4	L588 I748 L749 L752 S769 L770 E771 D775 Q776 R777 M780	L588-L773 HydrophobicContact CD1-CD2 4.31Å; I748-L773 HydrophobicContact CG2-CD1 4.1Å; I748-L773 HydrophobicContact CG2-CD2 3.88Å; L749-L773 HydrophobicContact CB-CD1 3.85Å; L749-L773 HydrophobicContact CD1-CD1 3.98Å; L749-L773 HydrophobicContact CG-CD1 4.49Å; L752-L773 HydrophobicContact CD1-CD2 4.18Å; S769-L773 WeakPolarHBondContact O-CG 3.28Å; S769-L773 PolarHBondContact O-N 2.97Å; L770-L773 WeakPolarHBondContact O-CB 3.36Å; L770-L773 PolarHBondContact O-N 2.92Å; L770-L773 VanDerWaalsContact O-N 3.09Å; E771-L773 VanDerWaalsContact C-N 3.27Å; E771-L773 PolarHBondContact O-N 3.48Å; L773-D775 PolarHBondContact O-N 2.9Å; L773-Q776 PolarHBondContact O-N 3.25Å; L773-R777 PolarHBondContact O-N 2.9Å; L773-M780 HydrophobicContact CB-CB 4.12Å; L773-M780 HydrophobicContact CB-CG 4.19Å; L773-M780 HydrophobicContact CD1-CE 4.46Å
774	R	92.4	Very high	90.6	Very high	6 Å²	6	20.7 Å²	20.7	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-22.2	177.9	-73.6	-173.7	171.1	-150	0.9	113.6	I537 D538 Y540 Y568 L770 E771 Q776 R777 M780 I781	I537-R774 PolarHBondContact O-NH1 3.37Å; D538-R774 PolarHBondContact O-NH1 3.33Å; Y540-R774 HydrophobicContact CD1-CB 3.81Å; Y540-R774 HydrophobicContact CE1-CB 4.05Å; Y568-R774 VanDerWaalsContact CE2-O 3.31Å; Y568-R774 WeakPolarHBondContact CE2-O 3.4Å; Y568-R774 PolarHBondContact OH-O 3.46Å; Y568-R774 VanDerWaalsContact OH-O 3.09Å; L770-R774 HydrophobicContact CD1-CG 4.48Å; L770-R774 PolarHBondContact O-N 2.75Å; E771-R774 CarbonylContact O-C 3.52Å; E771-R774 WeakPolarHBondContact O-CA 3.49Å; E771-R774 WeakPolarHBondContact O-CB 3.45Å; E771-R774 PolarHBondContact O-N 3.05Å; R774-Q776 VanDerWaalsContact C-N 3.27Å; R774-R777 VanDerWaalsContact CA-O 3.31Å; R774-R777 WeakPolarHBondContact CA-O 3.49Å; R774-M780 HydrophobicContact CG-CB 4.09Å; R774-M780 PolarHBondContact NE-O 3.27Å; R774-M780 PolarHBondContact NH2-O 2.82Å; R774-I781 PolarHBondContact NH2-O 3.01Å
775	D	88.1	Confident	91.5	Very high	18 Å²	18	24.2 Å²	24.2	10%	0.096	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.2	168.5	-75.3	-27	0	0	0	113.7	Y540 S542 Y568 E771 L773	Y540-D775 WeakPolarHBondContact CE1-OD1 3.16Å; Y540-D775 PolarHBondContact OH-OD1 3.46Å; Y540-D775 PolarHBondContact OH-OD2 3.31Å; S542-D775 VanDerWaalsContact CB-OD1 3.32Å; S542-D775 WeakPolarHBondContact CB-OD1 3.4Å; S542-D775 PolarHBondContact OG-OD1 3.19Å; Y568-D775 WeakPolarHBondContact CD2-O 3.37Å; Y568-D775 WeakPolarHBondContact CE2-O 3.33Å; E771-D775 PolarHBondContact O-N 3.24Å; L773-D775 PolarHBondContact O-N 2.9Å
776	Q	90.8	Very high	92.1	Very high	18 Å²	18	22.6 Å²	22.6	8%	0.084	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-26.9	-174.8	-62.2	177	78.9	0	0	112.2	S571 L588 Y589 H772 L773 R774	S571-Q776 VanDerWaalsContact CB-O 3.24Å; S571-Q776 WeakPolarHBondContact CB-O 3.32Å; S571-Q776 PolarHBondContact OG-O 3.17Å; L588-Q776 HydrophobicContact CD2-CB 3.53Å; Y589-Q776 VanDerWaalsContact CD2-OE1 3.31Å; Y589-Q776 PolarHBondContact O-NE2 2.75Å; Y589-Q776 VanDerWaalsContact O-NE2 3.17Å; H772-Q776 PolarHBondContact CD2-NE2 2.85Å; H772-Q776 PolarHBondContact CE1-NE2 3.38Å; H772-Q776 PolarHBondContact NE2-NE2 3.11Å; H772-Q776 WeakPolarHBondContact O-CG 3.28Å; H772-Q776 PolarHBondContact O-NE2 2.91Å; L773-Q776 PolarHBondContact O-N 3.25Å; R774-Q776 VanDerWaalsContact C-N 3.27Å
777	R	93.4	Very high	92.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-146.7	130.9	170.5	-177.1	171.4	177.9	77	3.3	109.4	N584 S586 L588 D739 G740 L773 R774 M780	N584-R777 PolarHBondContact OD1-NH1 3.44Å; N584-R777 VanDerWaalsContact OD1-NH1 3.15Å; N584-R777 PolarHBondContact OD1-NH2 2.81Å; S586-R777 PolarHBondContact OG-NH1 3.12Å; L588-R777 HydrophobicContact CD2-CB 4.07Å; D739-R777 PolarHBondContact O-NH2 3.09Å; G740-R777 PolarHBondContact O-NE 3.03Å; L773-R777 PolarHBondContact O-N 2.9Å; R774-R777 VanDerWaalsContact CA-O 3.31Å; R774-R777 WeakPolarHBondContact CA-O 3.49Å; R777-M780 HydrophobicContact CB-CG 3.99Å; R777-M780 HydrophobicContact CB-SD 4.05Å; R777-M780 HydrophobicContact CG-CG 4.41Å; R777-M780 HydrophobicContact CG-SD 4.07Å; R777-M780 VanDerWaalsContact O-CG 3.23Å; R777-M780 WeakPolarHBondContact O-CG 3.43Å
778	P	91.5	Very high	92.6	Very high	16 Å²	16	23.3 Å²	23.3	10%	0.104	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	152.4	-179.7	1	0.1	0	0	0	112.8	P565 I566 Y568 M780	P565-P778 HydrophobicContact CB-CB 4Å; P565-P778 HydrophobicContact CB-CG 3.98Å; P565-P778 WeakPolarHBondContact CG-O 3.19Å; I566-P778 VanDerWaalsContact O-CG 3.32Å; I566-P778 WeakPolarHBondContact O-CG 3.44Å; Y568-P778 HydrophobicContact CD1-CG 3.96Å; Y568-P778 HydrophobicContact CE1-CB 4.04Å; Y568-P778 HydrophobicContact CE1-CG 3.4Å; Y568-P778 HydrophobicContact CE2-CG 4.25Å; P778-M780 PolarHBondContact O-N 3.42Å; P778-M780 VanDerWaalsContact O-N 3.14Å
779	N	92.6	Very high	93.1	Very high	89 Å²	89	22.5 Å²	22.5	48%	0.476	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.3	170.1	-55.6	-12	0	0	0	115.5	P565 C741 I781	P565-N779 HydrophobicContact CG-CB 4.45Å; C741-N779 WeakPolarHBondContact CB-O 3.43Å; C741-N779 PolarHBondContact SG-O 3.12Å; N779-I781 PolarHBondContact O-N 3.15Å
780	M	96.2	Very high	93.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.			trans	-57.8	125.7	170.5	-67.1	-66.9	-80.3	0	0	108.9	L588 A600 C741 G745 I748 L770 L773 R774 R777 P778	L588-M780 HydrophobicContact CD1-CE 3.79Å; A600-M780 HydrophobicContact CB-CE 4.42Å; C741-M780 HydrophobicContact CB-SD 4.08Å; G745-M780 VanDerWaalsContact CA-CE 3.41Å; I748-M780 HydrophobicContact CD1-CE 4.17Å; L770-M780 HydrophobicContact CD1-CB 4.21Å; L770-M780 WeakPolarHBondContact CD1-O 3.45Å; L773-M780 HydrophobicContact CB-CB 4.12Å; L773-M780 HydrophobicContact CB-CG 4.19Å; L773-M780 HydrophobicContact CD1-CE 4.46Å; R774-M780 HydrophobicContact CG-CB 4.09Å; R774-M780 PolarHBondContact NE-O 3.27Å; R774-M780 PolarHBondContact NH2-O 2.82Å; R777-M780 HydrophobicContact CB-CG 3.99Å; R777-M780 HydrophobicContact CB-SD 4.05Å; R777-M780 HydrophobicContact CG-CG 4.41Å; R777-M780 HydrophobicContact CG-SD 4.07Å; R777-M780 VanDerWaalsContact O-CG 3.23Å; R777-M780 WeakPolarHBondContact O-CG 3.43Å; P778-M780 PolarHBondContact O-N 3.42Å; P778-M780 VanDerWaalsContact O-N 3.14Å
781	I	96.4	Very high	93.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	60.2	122.3	-166.5	-54.7	-171.7	0	0	0	111.8	W534 C741 A746 L749 L770 R774 N779 Q786 V790	W534-I781 HydrophobicContact CH2-CG2 4Å; W534-I781 WeakPolarHBondContact CH2-O 3.19Å; W534-I781 HydrophobicContact CZ3-CB 4.45Å; W534-I781 HydrophobicContact CZ3-CG2 3.77Å; C741-I781 PolarHBondContact O-N 3.25Å; A746-I781 HydrophobicContact CB-CD1 4.37Å; A746-I781 HydrophobicContact CB-CG1 4.38Å; L749-I781 HydrophobicContact CB-CD1 4.09Å; L749-I781 HydrophobicContact CD2-CD1 3.47Å; L749-I781 VanDerWaalsContact CD2-CD1 3.47Å; L749-I781 HydrophobicContact CG-CD1 4.44Å; L770-I781 HydrophobicContact CD1-CB 4.09Å; L770-I781 HydrophobicContact CD1-CD1 3.87Å; L770-I781 HydrophobicContact CD1-CG1 3.86Å; L770-I781 HydrophobicContact CD2-CB 4.2Å; L770-I781 HydrophobicContact CD2-CD1 4.03Å; L770-I781 HydrophobicContact CD2-CG1 4.45Å; R774-I781 PolarHBondContact NH2-O 3.01Å; N779-I781 PolarHBondContact O-N 3.15Å; I781-Q786 HydrophobicContact CG2-CB 3.67Å; I781-V790 HydrophobicContact CD1-CG2 4.15Å
782	K	93.3	Very high	93.5	Very high	92 Å²	92	22.9 Å²	22.9	40%	0.4	12%	0.115	S	C	.	.			trans	-104.7	-21.1	-170.5	-71.5	179.2	72.6	179.6	0	114.8	D739	D739-K782 WeakPolarHBondContact OD2-CD 3.48Å; D739-K782 WeakPolarHBondContact OD2-CE 3.19Å; D739-K782 IonicContact OD2-NZ 3.94Å; D739-K782 PolarHBondContact OD2-NZ 3.31Å
783	T	94.5	Very high	93.8	Very high	37 Å²	37	22.2 Å²	22.2	23%	0.227	11%	0.112	C	C	.	.	S	Bend	trans	-134.6	156.6	-174.3	84.6	0	0	0	0	111.6	W534 E785 Q786 Y787	W534-T783 WeakPolarHBondContact CH2-O 3.31Å; T783-E785 WeakPolarHBondContact CB-OE2 3.45Å; T783-E785 PolarHBondContact O-N 2.78Å; T783-E785 PolarHBondContact OG1-N 2.9Å; T783-E785 PolarHBondContact OG1-OE2 2.94Å; T783-Q786 PolarHBondContact O-N 3.3Å; T783-Q786 PolarHBondContact OG1-N 2.64Å; T783-Y787 PolarHBondContact O-N 2.83Å
784	L	94.3	Very high	93.9	Very high	25 Å²	25	22.1 Å²	22.1	13%	0.131	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-39.6	175.1	172	60.7	0	0	0	110.8	L530 W534 Q786 Y787 E788	L530-L784 HydrophobicContact CD2-CD1 4.4Å; L530-L784 HydrophobicContact CG-CD1 4.03Å; W534-L784 HydrophobicContact CB-CD1 3.49Å; W534-L784 VanDerWaalsContact CB-CD1 3.49Å; W534-L784 HydrophobicContact CD2-CB 4.2Å; W534-L784 HydrophobicContact CD2-CD1 4.44Å; W534-L784 HydrophobicContact CG-CB 3.92Å; W534-L784 HydrophobicContact CG-CD1 3.71Å; W534-L784 HydrophobicContact CG-CG 4.38Å; L784-Q786 VanDerWaalsContact C-N 3.32Å; L784-Q786 PolarHBondContact O-N 2.9Å; L784-Y787 WeakPolarHBondContact O-CB 3.35Å; L784-Y787 PolarHBondContact O-N 3.46Å; L784-Y787 VanDerWaalsContact O-N 3.14Å; L784-E788 WeakPolarHBondContact O-CB 3.48Å; L784-E788 PolarHBondContact O-N 3.39Å
785	E	94.6	Very high	93.9	Very high	97 Å²	97	22.2 Å²	22.2	45%	0.453	11%	0.114	S	C	.	.	H	α-helix	trans	-64.6	-37.8	-178.6	-57.5	72	-156.4	0	0	111.2	L708 T783 F789	L708-E785 HydrophobicContact CD1-CB 3.69Å; T783-E785 WeakPolarHBondContact CB-OE2 3.45Å; T783-E785 PolarHBondContact O-N 2.78Å; T783-E785 PolarHBondContact OG1-N 2.9Å; T783-E785 PolarHBondContact OG1-OE2 2.94Å; E785-F789 VanDerWaalsContact O-CB 3.24Å; E785-F789 WeakPolarHBondContact O-CB 3.4Å; E785-F789 PolarHBondContact O-N 2.88Å
786	Q	95.8	Very high	94.2	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-36.4	174.2	-69.5	173	-4.8	0	0	111.9	D705 L708 A746 I781 T783 L784 V790	D705-Q786 PolarHBondContact OD1-NE2 3.01Å; L708-Q786 HydrophobicContact CD1-CG 4.17Å; A746-Q786 HydrophobicContact CB-CB 4.47Å; I781-Q786 HydrophobicContact CG2-CB 3.67Å; T783-Q786 PolarHBondContact O-N 3.3Å; T783-Q786 PolarHBondContact OG1-N 2.64Å; L784-Q786 VanDerWaalsContact C-N 3.32Å; L784-Q786 PolarHBondContact O-N 2.9Å; Q786-V790 WeakPolarHBondContact O-CG2 3.36Å; Q786-V790 PolarHBondContact O-N 3.43Å
787	Y	95	Very high	94.3	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-45.6	175.4	-178.8	-114	0	0	0	111.9	L530 D533 W534 I537 I766 L770 T783 L784 F789 V790 L791	L530-Y787 HydrophobicContact CD1-CD1 3.98Å; L530-Y787 HydrophobicContact CD1-CE1 3.92Å; D533-Y787 HydrophobicContact CB-CE1 4.46Å; W534-Y787 HydrophobicContact CB-CD1 4.45Å; W534-Y787 HydrophobicContact CE3-CD1 4.21Å; W534-Y787 HydrophobicContact CE3-CD2 4.49Å; W534-Y787 AromaticContact CE3-CG 3.86Å; W534-Y787 HydrophobicContact CE3-CG 3.86Å; W534-Y787 HydrophobicContact CZ3-CG 4.34Å; I537-Y787 HydrophobicContact CD1-CD2 4.47Å; I537-Y787 HydrophobicContact CD1-CE1 4.26Å; I537-Y787 HydrophobicContact CD1-CE2 3.73Å; I766-Y787 HydrophobicContact CG2-CE2 3.89Å; L770-Y787 HydrophobicContact CD2-CD2 3.6Å; L770-Y787 HydrophobicContact CD2-CE2 3.86Å; T783-Y787 PolarHBondContact O-N 2.83Å; L784-Y787 WeakPolarHBondContact O-CB 3.35Å; L784-Y787 PolarHBondContact O-N 3.46Å; L784-Y787 VanDerWaalsContact O-N 3.14Å; Y787-F789 VanDerWaalsContact C-N 3.32Å; Y787-F789 PolarHBondContact O-N 3.33Å; Y787-V790 PolarHBondContact O-N 3.22Å; Y787-L791 HydrophobicContact CD1-CD1 3.93Å; Y787-L791 HydrophobicContact CE1-CD1 3.54Å; Y787-L791 PolarHBondContact O-N 3.02Å; Y787-L791 VanDerWaalsContact O-N 3.12Å
788	E	94.1	Very high	94.2	Very high	33 Å²	33	23.8 Å²	23.8	15%	0.154	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-41.2	174.2	-177.5	174	-165.9	0	0	112	L524 R527 L530 L784 V790 L791 S792	L524-E788 HydrophobicContact CD2-CG 4.16Å; R527-E788 IonicContact CZ-OE1 3.11Å; R527-E788 IonicContact CZ-OE2 3.57Å; R527-E788 IonicContact NH1-OE1 2.98Å; R527-E788 PolarHBondContact NH1-OE1 3.17Å; R527-E788 IonicContact NH1-OE2 2.92Å; R527-E788 PolarHBondContact NH1-OE2 3Å; R527-E788 IonicContact NH2-OE2 3.5Å; L530-E788 HydrophobicContact CD2-CB 4.06Å; L530-E788 HydrophobicContact CD2-CG 3.89Å; L784-E788 WeakPolarHBondContact O-CB 3.48Å; L784-E788 PolarHBondContact O-N 3.39Å; E788-V790 VanDerWaalsContact C-N 3.34Å; E788-V790 PolarHBondContact O-N 3.21Å; E788-L791 PolarHBondContact O-N 3.13Å; E788-S792 WeakPolarHBondContact O-CB 3.46Å; E788-S792 PolarHBondContact O-N 2.86Å; E788-S792 PolarHBondContact O-OG 3.35Å
789	F	95.6	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-47.2	174.2	169.3	-102.1	0	0	0	111.5	W703 L708 N711 M715 E785 Y787 L791 S792 S793	W703-F789 AromaticContact CH2-CD1 3.95Å; W703-F789 HydrophobicContact CH2-CD1 3.95Å; W703-F789 AromaticContact CH2-CE1 3.43Å; W703-F789 HydrophobicContact CH2-CE1 3.43Å; W703-F789 VanDerWaalsContact CH2-CE1 3.43Å; W703-F789 HydrophobicContact CH2-CZ 4.22Å; W703-F789 HydrophobicContact CZ2-CD1 4.09Å; W703-F789 AromaticContact CZ2-CE1 3.95Å; W703-F789 HydrophobicContact CZ2-CE1 3.95Å; W703-F789 HydrophobicContact CZ3-CE1 4.1Å; L708-F789 HydrophobicContact CB-CB 4.24Å; L708-F789 HydrophobicContact CB-CD2 4.06Å; L708-F789 HydrophobicContact CB-CG 4.32Å; L708-F789 HydrophobicContact CD2-CB 4.49Å; L708-F789 HydrophobicContact CD2-CD2 4.47Å; L708-F789 HydrophobicContact CD2-CG 4.24Å; L708-F789 WeakPolarHBondContact O-CD2 3.38Å; L708-F789 WeakPolarHBondContact O-CE2 3.35Å; N711-F789 HydrophobicContact CB-CE2 4.43Å; M715-F789 HydrophobicContact CB-CZ 4.01Å; M715-F789 HydrophobicContact CG-CE1 4.37Å; M715-F789 HydrophobicContact CG-CZ 3.96Å; E785-F789 VanDerWaalsContact O-CB 3.24Å; E785-F789 WeakPolarHBondContact O-CB 3.4Å; E785-F789 PolarHBondContact O-N 2.88Å; Y787-F789 VanDerWaalsContact C-N 3.32Å; Y787-F789 PolarHBondContact O-N 3.33Å; F789-L791 PolarHBondContact O-N 3.49Å; F789-S792 PolarHBondContact O-N 3.48Å; F789-S793 WeakPolarHBondContact CE2-OG 3.22Å; F789-S793 WeakPolarHBondContact O-CB 3.14Å; F789-S793 PolarHBondContact O-N 2.94Å; F789-S793 PolarHBondContact O-OG 3.4Å
790	V	95.7	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-44	178.8	175.5	0	0	0	0	111.6	A746 L749 L750 I781 Q786 Y787 E788 T794	A746-V790 HydrophobicContact CB-CG2 3.89Å; A746-V790 VanDerWaalsContact O-CG2 3.32Å; A746-V790 WeakPolarHBondContact O-CG2 3.24Å; L749-V790 HydrophobicContact CB-CG1 4.24Å; L749-V790 HydrophobicContact CD2-CB 4.42Å; L749-V790 HydrophobicContact CD2-CG1 3.88Å; L749-V790 HydrophobicContact CG-CG1 3.87Å; L750-V790 HydrophobicContact CB-CG1 4.16Å; L750-V790 HydrophobicContact CB-CG2 4.5Å; I781-V790 HydrophobicContact CD1-CG2 4.15Å; Q786-V790 WeakPolarHBondContact O-CG2 3.36Å; Q786-V790 PolarHBondContact O-N 3.43Å; Y787-V790 PolarHBondContact O-N 3.22Å; E788-V790 VanDerWaalsContact C-N 3.34Å; E788-V790 PolarHBondContact O-N 3.21Å; V790-T794 VanDerWaalsContact O-CB 3.3Å; V790-T794 WeakPolarHBondContact O-CB 3.37Å; V790-T794 PolarHBondContact O-N 2.86Å; V790-T794 PolarHBondContact O-OG1 2.9Å
791	L	93.7	Very high	93.7	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-48.4	175.9	-81.6	160.6	0	0	0	111.4	L524 L530 I766 Y787 E788 F789 T794 A795	L524-L791 HydrophobicContact CD2-CB 3.8Å; L524-L791 HydrophobicContact CG-CB 4.38Å; L530-L791 HydrophobicContact CD1-CD1 3.37Å; I766-L791 HydrophobicContact CB-CD2 4.24Å; I766-L791 HydrophobicContact CD1-CD2 3.42Å; I766-L791 VanDerWaalsContact CD1-CD2 3.42Å; I766-L791 HydrophobicContact CD1-CG 4.22Å; I766-L791 HydrophobicContact CG1-CD2 4.35Å; I766-L791 HydrophobicContact CG2-CD2 4.31Å; I766-L791 HydrophobicContact CG2-CG 4.42Å; Y787-L791 HydrophobicContact CD1-CD1 3.93Å; Y787-L791 HydrophobicContact CE1-CD1 3.54Å; Y787-L791 PolarHBondContact O-N 3.02Å; Y787-L791 VanDerWaalsContact O-N 3.12Å; E788-L791 PolarHBondContact O-N 3.13Å; F789-L791 PolarHBondContact O-N 3.49Å; L791-T794 PolarHBondContact O-N 2.94Å; L791-A795 PolarHBondContact O-N 3.49Å
792	S	93.8	Very high	93.2	Very high	19 Å²	19	27 Å²	27	13%	0.133	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-48.3	-178.3	-56.9	0	0	0	0	112.1	L524 M709 E788 F789 T794 A795 E796	L524-S792 VanDerWaalsContact CD2-OG 3.26Å; L524-S792 WeakPolarHBondContact CD2-OG 3.04Å; M709-S792 VanDerWaalsContact CE-OG 3.3Å; M709-S792 WeakPolarHBondContact CE-OG 3.42Å; E788-S792 WeakPolarHBondContact O-CB 3.46Å; E788-S792 PolarHBondContact O-N 2.86Å; E788-S792 PolarHBondContact O-OG 3.35Å; F789-S792 PolarHBondContact O-N 3.48Å; S792-T794 VanDerWaalsContact C-N 3.29Å; S792-T794 PolarHBondContact O-N 2.87Å; S792-A795 PolarHBondContact O-N 3.33Å; S792-E796 PolarHBondContact O-N 2.88Å
793	S	95.9	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-31.9	177	-64.4	0	0	0	0	112.6	S712 F789 E797	S712-S793 WeakPolarHBondContact CB-OG 3.29Å; S712-S793 WeakPolarHBondContact OG-CA 3.33Å; S712-S793 WeakPolarHBondContact OG-CB 3.38Å; S712-S793 PolarHBondContact OG-OG 2.88Å; F789-S793 WeakPolarHBondContact CE2-OG 3.22Å; F789-S793 WeakPolarHBondContact O-CB 3.14Å; F789-S793 PolarHBondContact O-N 2.94Å; F789-S793 PolarHBondContact O-OG 3.4Å; S793-E797 WeakPolarHBondContact O-CB 3.4Å; S793-E797 PolarHBondContact O-N 2.85Å
794	T	94.3	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-45	174.4	-55.1	0	0	0	0	110.7	M520 L750 V753 L754 I757 I766 V790 L791 S792 E797 V798	M520-T794 HydrophobicContact CE-CG2 3.39Å; M520-T794 HydrophobicContact SD-CG2 3.64Å; L750-T794 WeakPolarHBondContact CD1-OG1 3.36Å; V753-T794 HydrophobicContact CG1-CG2 3.73Å; L754-T794 HydrophobicContact CD2-CG2 3.85Å; L754-T794 HydrophobicContact CG-CG2 4.36Å; I757-T794 HydrophobicContact CD1-CG2 3.73Å; I766-T794 HydrophobicContact CD1-CG2 4.42Å; V790-T794 VanDerWaalsContact O-CB 3.3Å; V790-T794 WeakPolarHBondContact O-CB 3.37Å; V790-T794 PolarHBondContact O-N 2.86Å; V790-T794 PolarHBondContact O-OG1 2.9Å; L791-T794 PolarHBondContact O-N 2.94Å; S792-T794 VanDerWaalsContact C-N 3.29Å; S792-T794 PolarHBondContact O-N 2.87Å; T794-E797 PolarHBondContact O-N 3.28Å; T794-V798 HydrophobicContact CG2-CG2 4.5Å; T794-V798 VanDerWaalsContact O-CG2 3.3Å; T794-V798 WeakPolarHBondContact O-CG2 3.4Å; T794-V798 PolarHBondContact O-N 3.46Å
795	A	93.3	Very high	89.2	Confident	8 Å²	8	35.3 Å²	35.3	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-46.4	176.1	0	0	0	0	0	111.5	L517 M520 L524 L791 S792 E797 V798 D799	L517-A795 HydrophobicContact CD1-CB 4Å; L517-A795 WeakPolarHBondContact CD1-O 3.37Å; M520-A795 HydrophobicContact CB-CB 3.95Å; M520-A795 HydrophobicContact SD-CB 4.25Å; L524-A795 HydrophobicContact CD1-CB 4.12Å; L791-A795 PolarHBondContact O-N 3.49Å; S792-A795 PolarHBondContact O-N 3.33Å; A795-E797 VanDerWaalsContact C-N 3.35Å; A795-E797 PolarHBondContact O-N 3.1Å; A795-V798 PolarHBondContact O-N 3.39Å; A795-D799 WeakPolarHBondContact O-CB 3.49Å; A795-D799 PolarHBondContact O-N 3.34Å
796	E	93.7	Very high	86.3	Confident	62 Å²	62	40.6 Å²	40.6	29%	0.29	24%	0.24	S	C	.	.	H	α-helix	trans	-59.9	-42.1	177.5	-176.9	174.2	-170.2	0	0	112.3	S712 K713 L716 S792 A800	S712-E796 VanDerWaalsContact CB-OE2 3.24Å; S712-E796 WeakPolarHBondContact CB-OE2 3.39Å; S712-E796 PolarHBondContact OG-OE2 2.98Å; K713-E796 WeakPolarHBondContact CE-OE1 3.48Å; K713-E796 WeakPolarHBondContact CG-OE1 3.35Å; L716-E796 HydrophobicContact CD1-CB 4.35Å; L716-E796 HydrophobicContact CD1-CG 4.26Å; S792-E796 PolarHBondContact O-N 2.88Å; E796-A800 WeakPolarHBondContact O-CB 3.46Å; E796-A800 PolarHBondContact O-N 2.98Å
797	E	93	Very high	85.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-68.1	-40.7	177.3	-173.3	74.6	179.2	0	0	111.8	L716 R720 L754 S793 T794 A795 A800 M801	L716-E797 HydrophobicContact CD1-CB 4.09Å; L716-E797 WeakPolarHBondContact CD1-OE2 3.12Å; L716-E797 HydrophobicContact CD2-CB 3.84Å; L716-E797 HydrophobicContact CD2-CG 4.2Å; R720-E797 IonicContact CZ-OE1 2.75Å; R720-E797 IonicContact CZ-OE2 3.76Å; R720-E797 IonicContact NE-OE1 2.75Å; R720-E797 PolarHBondContact NE-OE1 2.82Å; R720-E797 IonicContact NE-OE2 2.64Å; R720-E797 IonicContact NH2-OE1 3.93Å; R720-E797 PolarHBondContact NH2-OE1 2.61Å; R720-E797 IonicContact NH2-OE2 3.13Å; R720-E797 PolarHBondContact NH2-OE2 3.3Å; L754-E797 HydrophobicContact CD1-CB 4.05Å; L754-E797 HydrophobicContact CD1-CG 3.85Å; L754-E797 HydrophobicContact CD2-CB 3.71Å; L754-E797 HydrophobicContact CD2-CG 3.63Å; L754-E797 HydrophobicContact CG-CG 4.37Å; S793-E797 WeakPolarHBondContact O-CB 3.4Å; S793-E797 PolarHBondContact O-N 2.85Å; T794-E797 PolarHBondContact O-N 3.28Å; A795-E797 VanDerWaalsContact C-N 3.35Å; A795-E797 PolarHBondContact O-N 3.1Å; E797-A800 PolarHBondContact O-N 2.72Å; E797-M801 HydrophobicContact CG-CE 3.58Å; E797-M801 HydrophobicContact CG-SD 4.41Å; E797-M801 VanDerWaalsContact O-CG 3.22Å; E797-M801 WeakPolarHBondContact O-CG 2.97Å; E797-M801 PolarHBondContact O-N 3.46Å
798	V	91.6	Very high	85.3	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-42.8	176.7	173.2	0	0	0	0	110.7	I516 L517 I757 T794 A795 M801 L802	I516-V798 HydrophobicContact CG2-CG2 4.32Å; L517-V798 HydrophobicContact CB-CG1 4.04Å; I757-V798 HydrophobicContact CD1-CG2 3.62Å; I757-V798 HydrophobicContact CG2-CG2 4.37Å; T794-V798 HydrophobicContact CG2-CG2 4.5Å; T794-V798 VanDerWaalsContact O-CG2 3.3Å; T794-V798 WeakPolarHBondContact O-CG2 3.4Å; T794-V798 PolarHBondContact O-N 3.46Å; A795-V798 PolarHBondContact O-N 3.39Å; V798-M801 WeakPolarHBondContact O-CB 3.06Å; V798-M801 PolarHBondContact O-N 3.03Å; V798-M801 VanDerWaalsContact O-N 3.17Å; V798-L802 HydrophobicContact CG1-CD1 4.11Å; V798-L802 WeakPolarHBondContact O-CG 3.5Å; V798-L802 PolarHBondContact O-N 2.64Å; V798-L802 VanDerWaalsContact O-N 3.09Å
799	D	91.9	Very high	84.8	Confident	62 Å²	62	44.8 Å²	44.8	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-47.4	174.3	-175.4	53.7	0	0	0	111	L517 A795 M801 L802 Q803	L517-D799 HydrophobicContact CD1-CB 4.2Å; L517-D799 HydrophobicContact CD2-CB 3.98Å; A795-D799 WeakPolarHBondContact O-CB 3.49Å; A795-D799 PolarHBondContact O-N 3.34Å; D799-M801 PolarHBondContact O-N 2.82Å; D799-L802 WeakPolarHBondContact O-CB 3Å; D799-L802 PolarHBondContact O-N 3.16Å; D799-Q803 WeakPolarHBondContact O-CG 3.23Å; D799-Q803 PolarHBondContact O-N 2.99Å; D799-Q803 PolarHBondContact OD2-NE2 2.76Å
800	A	90.2	Very high	84.2	Confident	48 Å²	48	47.5 Å²	47.5	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-30.8	175.5	0	0	0	0	0	113.5	E796 E797 L802	E796-A800 WeakPolarHBondContact O-CB 3.46Å; E796-A800 PolarHBondContact O-N 2.98Å; E797-A800 PolarHBondContact O-N 2.72Å; A800-L802 VanDerWaalsContact C-N 3.35Å
801	M	86.7	Confident	83.5	Confident	37 Å²	37	50.4 Å²	50.4	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-73.3	-25.1	173.9	-71.5	171.3	179.6	0	0	113.2	C506 I757 T758 E797 V798 D799	C506-M801 HydrophobicContact CB-CG 4.37Å; C506-M801 HydrophobicContact CB-SD 4.47Å; C506-M801 VanDerWaalsContact SG-SD 3.64Å; I757-M801 HydrophobicContact CG2-SD 4.28Å; T758-M801 HydrophobicContact CG2-CE 3.7Å; T758-M801 HydrophobicContact CG2-SD 4.41Å; E797-M801 HydrophobicContact CG-CE 3.58Å; E797-M801 HydrophobicContact CG-SD 4.41Å; E797-M801 VanDerWaalsContact O-CG 3.22Å; E797-M801 WeakPolarHBondContact O-CG 2.97Å; E797-M801 PolarHBondContact O-N 3.46Å; V798-M801 WeakPolarHBondContact O-CB 3.06Å; V798-M801 PolarHBondContact O-N 3.03Å; V798-M801 VanDerWaalsContact O-N 3.17Å; D799-M801 PolarHBondContact O-N 2.82Å
802	L	85.9	Confident	82.8	Confident	27 Å²	27	53.6 Å²	53.6	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-88.2	-24.5	179.5	-70.8	171.1	0	0	0	113	V510 L517 V798 D799 A800	V510-L802 HydrophobicContact CB-CD2 4.44Å; V510-L802 HydrophobicContact CG1-CD2 4.18Å; L517-L802 HydrophobicContact CB-CD1 4.48Å; L517-L802 HydrophobicContact CD2-CD1 4.02Å; V798-L802 HydrophobicContact CG1-CD1 4.11Å; V798-L802 WeakPolarHBondContact O-CG 3.5Å; V798-L802 PolarHBondContact O-N 2.64Å; V798-L802 VanDerWaalsContact O-N 3.09Å; D799-L802 WeakPolarHBondContact O-CB 3Å; D799-L802 PolarHBondContact O-N 3.16Å; A800-L802 VanDerWaalsContact C-N 3.35Å
803	Q	81.5	Confident	82	Confident	115 Å²	115	56.1 Å²	56.1	54%	0.537	33%	0.334	S	S	.	.	S	Bend	trans	-63.1	134.4	176.6	-71.3	179.8	24.2	0	0	110.5	D799 S805	D799-Q803 WeakPolarHBondContact O-CG 3.23Å; D799-Q803 PolarHBondContact O-N 2.99Å; D799-Q803 PolarHBondContact OD2-NE2 2.76Å; Q803-S805 PolarHBondContact O-N 2.68Å
804	P	60.9	Low	80.9	Confident	115 Å²	115	60.4 Å²	60.4	75%	0.747	36%	0.36	S	S	*	.			trans	-56.7	128.4	173.5	-18.2	28.9	0	0	0	109.1	T806	P804-T806 PolarHBondContact O-N 3.22Å
805	S	56.4	Low	79.8	Confident	98 Å²	98	65.4 Å²	65.4	69%	0.685	39%	0.39	S	S	*	.			trans	-57.8	105.6	172.1	53.9	0	0	0	0	108.8	Q803	Q803-S805 PolarHBondContact O-N 2.68Å
806	T	32.7	Very low	78.6	Confident	207 Å²	207	70.6 Å²	70.6	100%	1.27	42%	0.419	S	S	*	.			trans	-69.3	0	174.7	50.1	0	0	0	0	112.1	P804	P804-T806 PolarHBondContact O-N 3.22Å

Retrieved 806 of 806 residues in 162.9 ms (Link to these results)

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