A0A093I8E3_STRCA Loading...

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1). S-adenosyl-L-methionine-dependent methyltransferase that mediates mRNA cap1 2'-O-ribose methylation to the 5'-cap structure of mRNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA and small nuclear RNA (snRNA) to produce m(7)GpppRm (cap1). Displays a preference for cap0 transcripts. Cap1 modification is linked to higher levels of translation. May be involved in the interferon response pathway.

AlphaFold DB , UniProt , Accession A0A093I8E3, Species STRCA (Struthio camelus australis), Gene n/a, Length 831 aa.

						>A0A093I8E3_STRCA|A0A093I8E3
MKRRAEPEFSSPQKKQKKRIEDLGLTLSSTSDDETQFSNHMTQESSSSSSGSDSESDEKRPVFSNEFKQDSLVEGTSSRYSMYNSVSQKLMAKMGFREGEGLGKYGQGRKDIVEASSQKGRRGFGLTLKGFDGELNIDWQDEPEPSAYEEVDWCLGCTTEIPDAQELKEWMTVGKRKMVIEDETEFCSEELLRNVLQCKSVFDELDGEEMRRARTRSNPYEMIRGVFFLNRAAMKMANMDHVFDYMFTNPKDLHGRPLIKERDAELLYFADVCAGPGGFSEYVLWRRKWHAKGFGMTLKGPNDFKLEDFYSASSELFEPYYGEGGIDGDGDITRPENITAFRNFVLDNTDRKGVHFLMADGGFSVEGQENLQEILSKQLMLCQFLTALSIVRTGGHFVCKTFDLFTPFSVGLVYLLYCCFERICIFKPVTSRPANSERYVICKGLKLGIDDVRDYLFMVNIRLNQLRNSDVDVNLVVPVNVIKGDQDFYDYIVHSNENHCKVQIKALAKIRAFVQDTTLIEPRQAEIRKECLQLWGIPDQARVAPSSSDPKSKFFELIQGTDIDIFSYKPTPLNSSTLEKIRQVLDYRCMVSGSEQKFLLGLGKSQIYTWDGRQSDRWTKLDLKTELPRDTLLSVEIVHELKGEGKAQRKISAIHILDVLVLNGNDVRKQHFNQRIQLAEKFVKAVSKPSRPDMNPIRVKEVYRLEEMEKIFVRLEMKVIKSSGGIPRLSYTGRDDRHFVPTGLYIVRTVNDPWTMAYSKKSRRKFFFNKITKNSTYDLPSESIAPFHVCHYSRLFWEWGEGVKVHDSQKRQDPEKLSKEDVLSFIQAHYP
					

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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	32.7	Very low	26.6	Very low	244 Å²	244	180.4 Å²	180.4	100%	1.202	89%	0.892	S	S	*	*				0	128.3	0	-85.3	173.2	164.9	0	0	108.8
2	K	29.4	Very low	26.5	Very low	219 Å²	219	176.4 Å²	176.4	95%	0.952	89%	0.89	S	S	*	*	P	Polyproline II helix	trans	-57.7	126.8	-166.4	-71.6	175.5	173.9	178.3	0	112.9
3	R	26	Very low	26.8	Very low	242 Å²	242	176.7 Å²	176.7	91%	0.913	89%	0.886	S	S	*	*	P	Polyproline II helix	trans	-90.6	131.5	163	-80.4	-178.2	177.1	173.7	-1.1	108.9
4	R	27.5	Very low	26.9	Very low	257 Å²	257	178.8 Å²	178.8	97%	0.97	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-71.7	133.5	169.8	-86.7	176	166.7	169.3	-5.1	109.1
5	A	27	Very low	27	Very low	99 Å²	99	181.1 Å²	181.1	82%	0.818	89%	0.889	S	S	*	*			trans	-105.7	136.9	169.6	0	0	0	0	0	109
6	E	25.8	Very low	27.1	Very low	183 Å²	183	181.1 Å²	181.1	86%	0.855	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-72.6	151.2	172.5	-63.1	177.6	155.4	0	0	110.8
7	P	26.6	Very low	27.1	Very low	122 Å²	122	182.8 Å²	182.8	79%	0.792	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-90.9	137.7	174.1	33.1	-28.3	0	0	0	112.7
8	E	24.2	Very low	27.1	Very low	191 Å²	191	183.1 Å²	183.1	89%	0.893	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-63.2	134.3	174.4	-65.7	174.6	146.5	0	0	112.6
9	F	23.3	Very low	27.1	Very low	217 Å²	217	184.6 Å²	184.6	95%	0.952	88%	0.88	S	S	*	*			trans	-85.3	113.9	165.7	-103.8	-96.6	0	0	0	109.4
10	S	25.2	Very low	27.3	Very low	112 Å²	112	182.3 Å²	182.3	78%	0.783	87%	0.871	S	S	*	*			trans	-102.5	131.9	169.5	58.3	0	0	0	0	110.7
11	S	24.6	Very low	27.2	Very low	98 Å²	98	182 Å²	182	69%	0.685	87%	0.869	S	S	*	*			trans	-77.3	135.4	-178.7	52.5	0	0	0	0	112.8	Q13	S11-Q13 PolarHBondContact O-N 3.47Å
12	P	26	Very low	26.9	Very low	133 Å²	133	177.6 Å²	177.6	86%	0.864	85%	0.851	S	S	*	*			trans	-89.8	73.5	172.9	33.6	-30.6	0	0	0	111.8	K14	P12-K14 PolarHBondContact O-N 3.25Å
13	Q	29.6	Very low	27	Very low	180 Å²	180	172.7 Å²	172.7	84%	0.841	83%	0.834	S	S	*	*			trans	-90.3	83.5	161.1	-85.6	-171.9	-20.1	0	0	109.4	S11	S11-Q13 PolarHBondContact O-N 3.47Å
14	K	28.8	Very low	27.1	Very low	206 Å²	206	164.9 Å²	164.9	90%	0.896	83%	0.829	S	S	*	*	S	Bend	trans	-176.1	48.2	160.7	-107.9	169.3	-172.1	-177.4	0	112.7	P12	P12-K14 PolarHBondContact O-N 3.25Å
15	K	27.7	Very low	27.2	Very low	213 Å²	213	156.4 Å²	156.4	93%	0.926	80%	0.803	S	S	*	*	S	Bend	trans	-144.4	16.5	168	-101.3	-174.7	-175	-179.7	0	115.3
16	Q	28.6	Very low	27.1	Very low	182 Å²	182	156.7 Å²	156.7	85%	0.85	79%	0.794	S	S	*	*	S	Bend	trans	-115.1	20.8	-175.7	-136.9	173.4	13.5	0	0	113.9
17	K	28.2	Very low	27.4	Very low	209 Å²	209	149.3 Å²	149.3	91%	0.909	76%	0.76	S	S	*	*	S	Bend	trans	-105.7	8.3	179	-121.1	-177.6	-176.8	-174	0	114.1
18	K	26.8	Very low	27.4	Very low	188 Å²	188	145.2 Å²	145.2	82%	0.817	74%	0.735	S	S	*	*	S	Bend	trans	-129	29.1	-173.8	-138	-175.9	-173.7	-170.6	0	113.6
19	R	26.5	Very low	27.7	Very low	212 Å²	212	137.9 Å²	137.9	80%	0.8	71%	0.705	S	S	*	*	S	Bend	trans	-128.6	12.1	-177.5	-131.2	-177.6	-169.9	-171.2	1.9	114.2
20	I	30.7	Very low	28	Very low	138 Å²	138	129.8 Å²	129.8	71%	0.708	67%	0.673	S	S	*	*	S	Bend	trans	-99.4	-14.3	179.9	-64.3	174.7	0	0	0	111.3
21	E	26	Very low	28.4	Very low	176 Å²	176	125.8 Å²	125.8	82%	0.822	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.2	-178	-72.6	173.6	165.7	0	0	114.7
22	D	26	Very low	28.7	Very low	153 Å²	153	124.6 Å²	124.6	82%	0.818	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	5.9	176.9	-82.7	-20.2	0	0	0	113.6
23	L	31.7	Very low	29	Very low	116 Å²	116	122.8 Å²	122.8	61%	0.607	61%	0.614	S	S	*	*			trans	-108.7	83.1	178.4	-71.9	163.6	0	0	0	109.2	L25	L23-L25 PolarHBondContact O-N 2.88Å
24	G	27.8	Very low	29	Very low	78 Å²	78	123 Å²	123	80%	0.804	62%	0.615	S	S	*	*			trans	-68	52.5	173.3	0	0	0	0	0	113.7
25	L	29.8	Very low	28.9	Very low	79 Å²	79	118 Å²	118	41%	0.414	60%	0.602	S	S	.	*			trans	-123.6	69.5	172.8	-69.6	172.5	0	0	0	108.6	L23 L27	L23-L25 PolarHBondContact O-N 2.88Å; L25-L27 PolarHBondContact O-N 3.34Å
26	T	25.1	Very low	28.7	Very low	104 Å²	104	117.2 Å²	117.2	64%	0.638	60%	0.601	S	S	*	*			trans	-82.2	99.4	161.4	42.3	0	0	0	0	107.6	S28	T26-S28 PolarHBondContact O-N 3.43Å
27	L	31.9	Very low	28.4	Very low	28 Å²	28	117 Å²	117	15%	0.147	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-55	117.2	161.2	-71.7	172.1	0	0	0	106	L25 L298 N302 G362 F363 L379	L25-L27 PolarHBondContact O-N 3.34Å; L27-L298 HydrophobicContact CD1-CB 3.87Å; L27-L298 HydrophobicContact CD1-CD1 3.55Å; L27-L298 HydrophobicContact CD1-CG 3.86Å; L27-L298 HydrophobicContact CG-CD1 3.8Å; L27-N302 VanDerWaalsContact O-CG 3.29Å; L27-N302 PolarHBondContact O-ND2 3.46Å; L27-G362 WeakPolarHBondContact CD2-O 3Å; L27-F363 HydrophobicContact CD2-CB 4.02Å; L27-F363 HydrophobicContact CD2-CD1 4.32Å; L27-L379 HydrophobicContact CD2-CD2 4.25Å
28	S	27.6	Very low	28.2	Very low	36 Å²	36	111.7 Å²	111.7	25%	0.252	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-96.8	139.4	164.5	61.1	0	0	0	0	107.2	T26 T30 S364	T26-S28 PolarHBondContact O-N 3.43Å; S28-T30 PolarHBondContact O-N 3.41Å; S28-S364 WeakPolarHBondContact OG-CA 3.08Å; S28-S364 WeakPolarHBondContact OG-CB 3.32Å; S28-S364 PolarHBondContact OG-N 3.25Å; S28-S364 VanDerWaalsContact OG-N 3.15Å
29	S	30	Very low	28	Very low	38 Å²	38	110.2 Å²	110.2	27%	0.266	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-60.1	125.8	155.6	93.9	0	0	0	0	105.5	S31	S29-S31 PolarHBondContact O-N 3.24Å; S29-S31 WeakPolarHBondContact OG-CB 3.48Å; S29-S31 PolarHBondContact OG-N 3.01Å; S29-S31 PolarHBondContact OG-O 3.05Å; S29-S31 PolarHBondContact OG-OG 2.63Å
30	T	30.2	Very low	27.9	Very low	46 Å²	46	108.3 Å²	108.3	28%	0.282	59%	0.588	S	S	.	*	S	Bend	trans	-66.9	16.9	167.7	52.6	0	0	0	0	112	S28 D32	S28-T30 PolarHBondContact O-N 3.41Å; T30-D32 PolarHBondContact O-N 2.76Å
31	S	33.3	Very low	27.6	Very low	28 Å²	28	110.3 Å²	110.3	20%	0.196	60%	0.597	C	S	.	*			trans	-84.8	101.9	160	80.7	0	0	0	0	109.7	S29 D33 R231	S29-S31 PolarHBondContact O-N 3.24Å; S29-S31 WeakPolarHBondContact OG-CB 3.48Å; S29-S31 PolarHBondContact OG-N 3.01Å; S29-S31 PolarHBondContact OG-O 3.05Å; S29-S31 PolarHBondContact OG-OG 2.63Å; S31-D33 PolarHBondContact O-N 2.9Å; S31-R231 VanDerWaalsContact CA-NH2 3.32Å
32	D	31.1	Very low	27.5	Very low	74 Å²	74	108.2 Å²	108.2	40%	0.396	60%	0.596	S	S	.	*			trans	-61.8	32.9	170.4	-46	-47.9	0	0	0	114.1	T30 E34 R214 R432	T30-D32 PolarHBondContact O-N 2.76Å; D32-E34 PolarHBondContact O-N 3.45Å; D32-R214 IonicContact OD2-NH2 3.78Å; D32-R214 PolarHBondContact OD2-NH2 3.18Å; D32-R432 IonicContact OD2-NH1 3.84Å; D32-R432 PolarHBondContact OD2-NH1 3.02Å; D32-R432 VanDerWaalsContact OD2-NH1 3.11Å
33	D	32.6	Very low	27.4	Very low	95 Å²	95	110.1 Å²	110.1	51%	0.508	60%	0.6	S	S	.	*			trans	-94.2	89.9	-179.8	-71.5	1.7	0	0	0	108.5	S31 T35 R231	S31-D33 PolarHBondContact O-N 2.9Å; D33-T35 PolarHBondContact O-N 3.29Å; D33-R231 IonicContact OD1-CZ 2.69Å; D33-R231 IonicContact OD1-NH1 3.81Å; D33-R231 PolarHBondContact OD1-NH1 3.22Å; D33-R231 IonicContact OD1-NH2 3.24Å; D33-R231 IonicContact OD2-NH1 2.83Å
34	E	29.5	Very low	27.1	Very low	185 Å²	185	113.6 Å²	113.6	86%	0.864	61%	0.613	S	S	*	*			trans	-67.4	117.3	159.7	-73.8	-157.6	157.7	0	0	109.1	D32 Q36	D32-E34 PolarHBondContact O-N 3.45Å; E34-Q36 PolarHBondContact O-N 3.41Å
35	T	25.6	Very low	26.8	Very low	100 Å²	100	115.8 Å²	115.8	61%	0.613	62%	0.616	S	S	*	*			trans	-70.4	116.2	169.4	46	0	0	0	0	109.7	D33 F37	D33-T35 PolarHBondContact O-N 3.29Å; T35-F37 PolarHBondContact O-N 2.92Å
36	Q	22.9	Very low	26.6	Very low	196 Å²	196	117.4 Å²	117.4	92%	0.916	63%	0.634	S	S	*	*			trans	-61.8	106	166.6	-74	-178.2	-13.9	0	0	109.6	E34 S38	E34-Q36 PolarHBondContact O-N 3.41Å; Q36-S38 PolarHBondContact O-N 3.23Å
37	F	23	Very low	26.6	Very low	179 Å²	179	118.3 Å²	118.3	79%	0.785	64%	0.644	S	S	*	*			trans	-74.5	108.6	168.3	-78.7	-83.5	0	0	0	109.4	T35 N39	T35-F37 PolarHBondContact O-N 2.92Å; F37-N39 PolarHBondContact O-N 2.69Å
38	S	23.6	Very low	26.1	Very low	97 Å²	97	122.8 Å²	122.8	68%	0.678	68%	0.678	S	S	*	*			trans	-74.7	111.3	164.9	55.4	0	0	0	0	109.4	Q36 H40	Q36-S38 PolarHBondContact O-N 3.23Å; S38-H40 PolarHBondContact O-N 3.18Å
39	N	23	Very low	25.9	Very low	156 Å²	156	127 Å²	127	83%	0.834	71%	0.708	S	S	*	*			trans	-67.3	98.1	168.8	-83.9	-22.8	0	0	0	110	F37	F37-N39 PolarHBondContact O-N 2.69Å
40	H	25.5	Very low	25.6	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.796	74%	0.737	S	S	*	*			trans	-105.7	96.8	159.1	-86.6	-59.1	0	0	0	108.8	S38 T42	S38-H40 PolarHBondContact O-N 3.18Å; H40-T42 PolarHBondContact O-N 3.47Å
41	M	23.5	Very low	25.3	Very low	181 Å²	181	132.5 Å²	132.5	89%	0.892	76%	0.76	S	S	*	*			trans	-70.3	111.9	160.7	-81.7	-173.1	81	0	0	108.3	Q43	M41-Q43 PolarHBondContact O-N 3.01Å
42	T	24.4	Very low	24.8	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.4	161.4	24.3	0	0	0	0	109.5	H40 E44	H40-T42 PolarHBondContact O-N 3.47Å; T42-E44 PolarHBondContact O-N 3.14Å
43	Q	23.5	Very low	24.4	Very low	193 Å²	193	140.6 Å²	140.6	90%	0.902	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.9	118	166.1	-78.6	-173.8	-21	0	0	109.3	M41	M41-Q43 PolarHBondContact O-N 3.01Å
44	E	24.1	Very low	24.2	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.883	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76	120.2	161.9	-75.2	-175.4	155	0	0	109.1	T42	T42-E44 PolarHBondContact O-N 3.14Å
45	S	22.3	Very low	24	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	82%	0.824	S	S	*	*			trans	-83.1	109.3	171.3	54	0	0	0	0	109.9
46	S	24.7	Very low	24	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	83%	0.826	S	S	*	*			trans	-110.6	124.3	164.7	58.9	0	0	0	0	110.4
47	S	25.3	Very low	24.1	Very low	122 Å²	122	139 Å²	139	85%	0.853	82%	0.82	S	S	*	*			trans	-56.8	136.3	-179.1	48.2	0	0	0	0	114.7
48	S	22.8	Very low	24.1	Very low	122 Å²	122	138.2 Å²	138.2	85%	0.853	82%	0.819	S	S	*	*			trans	-74.7	138.9	171.1	51.5	0	0	0	0	113.1
49	S	23	Very low	24.2	Very low	125 Å²	125	143 Å²	143	87%	0.874	83%	0.828	S	S	*	*			trans	-125.8	139.8	156.3	53.9	0	0	0	0	109.7
50	S	23.3	Very low	24.3	Very low	126 Å²	126	147 Å²	147	88%	0.881	83%	0.831	S	S	*	*			trans	-86.3	162.9	-157.5	48.8	0	0	0	0	117
51	G	23.2	Very low	24.8	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	83%	0.826	S	S	*	*			trans	123.2	134.6	156.5	0	0	0	0	0	112.1
52	S	24	Very low	24.8	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	83%	0.827	S	S	*	*			cis	-171.9	162.9	5.6	47.9	0	0	0	0	108
53	D	23.5	Very low	24.7	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	83%	0.827	S	S	*	*			trans	-59.1	157.2	-171	-53.4	-66.6	0	0	0	117.8
54	S	26.9	Very low	24.7	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	82%	0.818	S	S	*	*				173.1	121	116.5	55.8	0	0	0	0	113.4
55	E	26	Very low	24.7	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	82%	0.815	S	S	*	*				23.8	149.1	129.3	-64.5	-171.9	170.1	0	0	119.9
56	S	24.5	Very low	24.8	Very low	96 Å²	96	141.7 Å²	141.7	67%	0.671	81%	0.814	S	S	*	*			cis	-177.2	156	18.8	40.7	0	0	0	0	110.3
57	D	25.3	Very low	25	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	82%	0.82	S	S	*	*			trans	69.7	114.3	138.6	-67.5	-12.1	0	0	0	126.4
58	E	24.4	Very low	25	Very low	164 Å²	164	150.3 Å²	150.3	77%	0.766	82%	0.823	S	S	*	*				23	128.8	127.4	-57.2	-165.8	147.9	0	0	122.4
59	K	25.6	Very low	25.1	Very low	198 Å²	198	152.5 Å²	152.5	86%	0.861	82%	0.82	S	S	*	*				177.4	142.7	102.8	-95.8	172.7	-176.1	171.3	0	113.6
60	R	23.6	Very low	25.3	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	81%	0.813	S	S	*	*			trans	-87.7	-168.8	169.6	-61.9	176.8	169.2	170.5	-1.9	110.9
61	P	36.3	Very low	25.3	Very low	106 Å²	106	152.6 Å²	152.6	69%	0.688	81%	0.81	S	S	*	*				-129.9	170.7	-75.3	39.1	-22.1	0	0	0	112.2
62	V	23.7	Very low	25.6	Very low	152 Å²	152	157.7 Å²	157.7	92%	0.921	82%	0.818	S	S	*	*			trans	-138.4	143.1	164.9	-176.9	0	0	0	0	110.7
63	F	23.8	Very low	26.1	Very low	183 Å²	183	157.9 Å²	157.9	80%	0.803	81%	0.814	S	S	*	*			trans	-88.5	154.2	-165.2	-104.7	-98.4	0	0	0	115.8
64	S	22.5	Very low	26.4	Very low	103 Å²	103	159.6 Å²	159.6	72%	0.72	82%	0.817	S	S	*	*			trans	68.2	147.1	148	73.9	0	0	0	0	118.2
65	N	24.3	Very low	26.9	Very low	153 Å²	153	158 Å²	158	82%	0.818	82%	0.818	S	S	*	*			cis	-163	168.2	11.7	-144.4	7.1	0	0	0	109.2
66	E	25.1	Very low	27.3	Very low	183 Å²	183	155.4 Å²	155.4	86%	0.855	82%	0.815	S	S	*	*			trans	106.8	129.2	161.2	-60.3	-167.3	164.2	0	0	120.4
67	F	27.9	Very low	28.2	Very low	208 Å²	208	154.2 Å²	154.2	91%	0.912	81%	0.807	S	S	*	*			trans	-80.3	142.7	-171.7	-101.2	-104.1	0	0	0	113.7
68	K	24.8	Very low	29.2	Very low	208 Å²	208	152.4 Å²	152.4	90%	0.904	81%	0.806	S	S	*	*			trans	-153.5	133.4	144.8	-91.7	-175.8	-175.7	175.2	0	111.2
69	Q	26	Very low	30.6	Very low	169 Å²	169	153.8 Å²	153.8	79%	0.79	80%	0.804	S	S	*	*			trans	-60.5	153.8	159.7	-85.2	171.6	-67.9	0	0	110
70	D	27.1	Very low	31.9	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	78%	0.776	S	S	*	*			cis	-161.6	153.6	17.4	-106.3	-24.8	0	0	0	107.9
71	S	23.9	Very low	33.4	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	77%	0.767	S	S	*	*			trans	164.5	111.5	139.3	42.8	0	0	0	0	111
72	L	29	Very low	34.1	Very low	181 Å²	181	143.8 Å²	143.8	95%	0.948	77%	0.771	S	S	*	*			trans	-103.2	102	173.6	-83.6	165.4	0	0	0	109.9
73	V	34.4	Very low	35.6	Very low	121 Å²	121	141.3 Å²	141.3	73%	0.733	75%	0.746	S	S	*	*			trans	-146.3	137	150.2	-143.2	0	0	0	0	102.7
74	E	28.6	Very low	37.8	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	73%	0.733	S	S	*	*			cis	176.6	143.9	46.8	-154.3	154.7	-141.2	0	0	106
75	G	39	Very low	39.9	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	73%	0.725	S	S	*	*			trans	106.7	82.3	166.1	0	0	0	0	0	117.2
76	T	32.8	Very low	42.1	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	71%	0.714	S	S	*	*			trans	-128.4	139	156.2	44.2	0	0	0	0	110.2
77	S	43.5	Very low	44.1	Very low	72 Å²	72	126.9 Å²	126.9	50%	0.503	69%	0.688	S	S	.	*			trans	-67.6	140.2	-171.9	-176	0	0	0	0	112.6	R79	S77-R79 PolarHBondContact O-N 3.48Å
78	S	48.1	Very low	46	Very low	107 Å²	107	121 Å²	121	75%	0.748	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	7	-167.8	65.2	0	0	0	0	117
79	R	52.6	Low	48.2	Very low	194 Å²	194	118.6 Å²	118.6	73%	0.732	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-15.4	-172.4	-98.4	-176.8	-101.6	177.5	-6.2	115.9	S77	S77-R79 PolarHBondContact O-N 3.48Å
80	Y	52.9	Low	50.2	Low	72 Å²	72	116.1 Å²	116.1	28%	0.282	65%	0.645	S	S	.	*	S	Bend	trans	-108.6	2.5	-177.5	-74.5	-83.2	0	0	0	114.9	M82 Y83 Q88 F96 E98	Y80-M82 PolarHBondContact O-N 3.25Å; Y80-Y83 HydrophobicContact CD1-CD2 4.37Å; Y80-Y83 HydrophobicContact CD1-CE2 4.3Å; Y80-Q88 PolarHBondContact O-NE2 3.3Å; Y80-F96 HydrophobicContact CE1-CE1 4.19Å; Y80-F96 AromaticContact CE1-CZ 3.93Å; Y80-F96 HydrophobicContact CE1-CZ 3.93Å; Y80-F96 AromaticContact CZ-CZ 3.98Å; Y80-E98 HydrophobicContact CD2-CG 4.3Å; Y80-E98 HydrophobicContact CE2-CG 3.98Å
81	S	54.4	Low	52.1	Low	99 Å²	99	111.8 Å²	111.8	69%	0.692	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-6.4	175.3	79.9	0	0	0	0	113.9	Y83	S81-Y83 VanDerWaalsContact C-N 3.29Å; S81-Y83 PolarHBondContact O-N 3.24Å
82	M	51	Low	54.3	Low	160 Å²	160	109.4 Å²	109.4	79%	0.788	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-8.3	178.2	-77.2	-168.4	-92.9	0	0	114.2	Y80	Y80-M82 PolarHBondContact O-N 3.25Å
83	Y	56.1	Low	56.3	Low	100 Å²	100	109.9 Å²	109.9	39%	0.392	60%	0.602	S	S	.	*	S	Bend	trans	-100.6	145.3	178.4	-67.9	-76.1	0	0	0	112.4	Y80 S81 Q88 M91	Y80-Y83 HydrophobicContact CD1-CD2 4.37Å; Y80-Y83 HydrophobicContact CD1-CE2 4.3Å; S81-Y83 VanDerWaalsContact C-N 3.29Å; S81-Y83 PolarHBondContact O-N 3.24Å; Y83-Q88 PolarHBondContact O-NE2 3Å; Y83-M91 HydrophobicContact CD2-CE 4.26Å; Y83-M91 HydrophobicContact CG-CE 4.2Å
84	N	70.4	Confident	57.6	Low	99 Å²	99	110.6 Å²	110.6	53%	0.529	60%	0.599	S	S	.	*			trans	-68.5	160.3	171.1	84.2	26.3	0	0	0	111.3	V86 S87 Q88	N84-V86 PolarHBondContact O-N 3.4Å; N84-V86 VanDerWaalsContact O-N 3.16Å; N84-V86 WeakPolarHBondContact OD1-CA 3.2Å; N84-V86 WeakPolarHBondContact OD1-CB 3.44Å; N84-V86 PolarHBondContact OD1-N 3.36Å; N84-S87 PolarHBondContact O-N 2.99Å; N84-S87 PolarHBondContact OD1-N 3.04Å; N84-S87 PolarHBondContact OD1-OG 2.95Å; N84-Q88 PolarHBondContact O-N 2.76Å
85	S	66.5	Low	59.3	Low	78 Å²	78	104 Å²	104	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-64.1	-21.2	-174.6	61.4	0	0	0	0	114.5	K89	S85-K89 WeakPolarHBondContact O-CG 3.41Å; S85-K89 PolarHBondContact O-N 3.25Å
86	V	70.1	Confident	60.5	Low	97 Å²	97	102.8 Å²	102.8	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-76.6	-45.2	178	-178	0	0	0	0	110.2	N84 Q88 K89 L90	N84-V86 PolarHBondContact O-N 3.4Å; N84-V86 VanDerWaalsContact O-N 3.16Å; N84-V86 WeakPolarHBondContact OD1-CA 3.2Å; N84-V86 WeakPolarHBondContact OD1-CB 3.44Å; N84-V86 PolarHBondContact OD1-N 3.36Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 2.92Å; V86-K89 PolarHBondContact O-N 3.48Å; V86-L90 PolarHBondContact O-N 2.87Å
87	S	66.9	Low	62.1	Low	46 Å²	46	104.9 Å²	104.9	32%	0.322	55%	0.548	S	S	.	.	H	α-helix	trans	-60	-42.1	176.5	-57.6	0	0	0	0	111.3	N84 K89 L90 M91	N84-S87 PolarHBondContact O-N 2.99Å; N84-S87 PolarHBondContact OD1-N 3.04Å; N84-S87 PolarHBondContact OD1-OG 2.95Å; S87-K89 PolarHBondContact O-N 3.24Å; S87-L90 PolarHBondContact O-N 3.34Å; S87-M91 VanDerWaalsContact O-CG 3.29Å; S87-M91 WeakPolarHBondContact O-CG 3.34Å; S87-M91 PolarHBondContact O-N 2.95Å
88	Q	68.6	Low	63.1	Low	83 Å²	83	106.8 Å²	106.8	39%	0.388	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-43	177.4	-67.6	176.8	-2.9	0	0	112.5	Y80 Y83 N84 V86 L90 M91 A92	Y80-Q88 PolarHBondContact O-NE2 3.3Å; Y83-Q88 PolarHBondContact O-NE2 3Å; N84-Q88 PolarHBondContact O-N 2.76Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 2.92Å; Q88-L90 VanDerWaalsContact C-N 3.35Å; Q88-L90 PolarHBondContact O-N 3.26Å; Q88-M91 HydrophobicContact CG-CE 4.24Å; Q88-M91 PolarHBondContact O-N 3.18Å; Q88-A92 WeakPolarHBondContact O-CB 3.49Å; Q88-A92 PolarHBondContact O-N 2.85Å
89	K	70.5	Confident	63.9	Low	159 Å²	159	104.4 Å²	104.4	69%	0.691	54%	0.542	S	S	*	.	H	α-helix	trans	-65.1	-36.8	175.9	-76	177.4	-179.5	178.6	0	112.6	S85 V86 S87 K93	S85-K89 WeakPolarHBondContact O-CG 3.41Å; S85-K89 PolarHBondContact O-N 3.25Å; V86-K89 PolarHBondContact O-N 3.48Å; S87-K89 PolarHBondContact O-N 3.24Å; K89-K93 WeakPolarHBondContact O-CB 3.18Å; K89-K93 PolarHBondContact O-N 2.83Å
90	L	68.6	Low	64.5	Low	116 Å²	116	99.9 Å²	99.9	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-68.6	-43.7	177.8	-148.2	92	0	0	0	111.4	V86 S87 Q88 A92 K93 M94	V86-L90 PolarHBondContact O-N 2.87Å; S87-L90 PolarHBondContact O-N 3.34Å; Q88-L90 VanDerWaalsContact C-N 3.35Å; Q88-L90 PolarHBondContact O-N 3.26Å; L90-A92 PolarHBondContact O-N 3.16Å; L90-K93 PolarHBondContact O-N 3.45Å; L90-M94 VanDerWaalsContact O-CG 3.32Å; L90-M94 WeakPolarHBondContact O-CG 3.31Å; L90-M94 PolarHBondContact O-N 3.08Å; L90-M94 VanDerWaalsContact O-N 3.09Å
91	M	66.4	Low	65	Low	47 Å²	47	96.7 Å²	96.7	23%	0.232	52%	0.518	C	S	.	.	H	α-helix	trans	-60.5	-44.8	176.3	-71.1	-174.6	-69	0	0	111.4	Y83 S87 Q88 K93 M94 G95 F96	Y83-M91 HydrophobicContact CD2-CE 4.26Å; Y83-M91 HydrophobicContact CG-CE 4.2Å; S87-M91 VanDerWaalsContact O-CG 3.29Å; S87-M91 WeakPolarHBondContact O-CG 3.34Å; S87-M91 PolarHBondContact O-N 2.95Å; Q88-M91 HydrophobicContact CG-CE 4.24Å; Q88-M91 PolarHBondContact O-N 3.18Å; M91-K93 VanDerWaalsContact C-N 3.34Å; M91-K93 PolarHBondContact O-N 3.09Å; M91-M94 PolarHBondContact O-N 3.33Å; M91-G95 PolarHBondContact O-N 3.48Å; M91-F96 HydrophobicContact CB-CB 4.1Å; M91-F96 HydrophobicContact CB-CD1 4.25Å; M91-F96 HydrophobicContact CB-CG 4.39Å; M91-F96 WeakPolarHBondContact O-CB 3.38Å; M91-F96 PolarHBondContact O-N 2.75Å; M91-F96 VanDerWaalsContact O-N 3.11Å
92	A	69.4	Low	65.6	Low	66 Å²	66	96.1 Å²	96.1	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-41.2	175.4	0	0	0	0	0	112.3	Q88 L90 M94 G95	Q88-A92 WeakPolarHBondContact O-CB 3.49Å; Q88-A92 PolarHBondContact O-N 2.85Å; L90-A92 PolarHBondContact O-N 3.16Å; A92-M94 PolarHBondContact O-N 3.43Å; A92-G95 PolarHBondContact O-N 3.29Å; A92-G95 VanDerWaalsContact O-N 3.11Å
93	K	71	Confident	66	Low	190 Å²	190	90.1 Å²	90.1	83%	0.826	49%	0.486	S	S	*	.	H	α-helix	trans	-67.5	-24.6	178.9	-159.5	175.5	-177	-179	0	113.1	K89 L90 M91 G95	K89-K93 WeakPolarHBondContact O-CB 3.18Å; K89-K93 PolarHBondContact O-N 2.83Å; L90-K93 PolarHBondContact O-N 3.45Å; M91-K93 VanDerWaalsContact C-N 3.34Å; M91-K93 PolarHBondContact O-N 3.09Å; K93-G95 VanDerWaalsContact C-N 3.31Å
94	M	62.6	Low	66.1	Low	136 Å²	136	94 Å²	94	67%	0.67	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	8.5	175.7	-62.8	-69.8	-96.2	0	0	113.1	L90 M91 A92 L102	L90-M94 VanDerWaalsContact O-CG 3.32Å; L90-M94 WeakPolarHBondContact O-CG 3.31Å; L90-M94 PolarHBondContact O-N 3.08Å; L90-M94 VanDerWaalsContact O-N 3.09Å; M91-M94 PolarHBondContact O-N 3.33Å; A92-M94 PolarHBondContact O-N 3.43Å; M94-L102 HydrophobicContact CB-CD2 4.33Å
95	G	63	Low	65.8	Low	51 Å²	51	97.6 Å²	97.6	53%	0.526	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	16.9	172.9	0	0	0	0	0	115.3	M91 A92 K93	M91-G95 PolarHBondContact O-N 3.48Å; A92-G95 PolarHBondContact O-N 3.29Å; A92-G95 VanDerWaalsContact O-N 3.11Å; K93-G95 VanDerWaalsContact C-N 3.31Å
96	F	66.1	Low	65.5	Low	53 Å²	53	95 Å²	95	23%	0.232	50%	0.498	C	S	.	.			trans	-67.3	134.5	175.9	179.5	-108.8	0	0	0	111.9	Y80 M91 L102	Y80-F96 HydrophobicContact CE1-CE1 4.19Å; Y80-F96 AromaticContact CE1-CZ 3.93Å; Y80-F96 HydrophobicContact CE1-CZ 3.93Å; Y80-F96 AromaticContact CZ-CZ 3.98Å; M91-F96 HydrophobicContact CB-CB 4.1Å; M91-F96 HydrophobicContact CB-CD1 4.25Å; M91-F96 HydrophobicContact CB-CG 4.39Å; M91-F96 WeakPolarHBondContact O-CB 3.38Å; M91-F96 PolarHBondContact O-N 2.75Å; M91-F96 VanDerWaalsContact O-N 3.11Å; F96-L102 HydrophobicContact CB-CD1 3.99Å; F96-L102 HydrophobicContact CD2-CD1 3.71Å; F96-L102 HydrophobicContact CG-CD1 4.17Å
97	R	65.7	Low	65.2	Low	177 Å²	177	97.4 Å²	97.4	67%	0.668	50%	0.502	S	S	*	.			trans	-126.2	138.7	172.4	-66.3	179.8	178.1	-177.7	-1.2	108.8	G99 E100	R97-G99 PolarHBondContact O-N 3.2Å; R97-E100 HydrophobicContact CB-CB 4.49Å; R97-E100 PolarHBondContact O-N 3.43Å; R97-E100 VanDerWaalsContact O-N 3.09Å
98	E	63.6	Low	65	Low	113 Å²	113	96.3 Å²	96.3	53%	0.528	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	122.1	-177.2	-167.5	174.5	-179.4	0	0	110.6	Y80	Y80-E98 HydrophobicContact CD2-CG 4.3Å; Y80-E98 HydrophobicContact CE2-CG 3.98Å
99	G	64.7	Low	64.5	Low	57 Å²	57	101 Å²	101	59%	0.588	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-5.2	-177.6	0	0	0	0	0	115.9	R97	R97-G99 PolarHBondContact O-N 3.2Å
100	E	65.5	Low	64	Low	98 Å²	98	100.5 Å²	100.5	46%	0.458	51%	0.511	S	S	.	.	S	Bend	trans	-115	149.5	178.1	-64.4	-174.9	163.5	0	0	112.1	R97	R97-E100 HydrophobicContact CB-CB 4.49Å; R97-E100 PolarHBondContact O-N 3.43Å; R97-E100 VanDerWaalsContact O-N 3.09Å
101	G	64.7	Low	63.3	Low	5 Å²	5	101 Å²	101	5%	0.052	51%	0.514	C	S	.	.			trans	-76.1	146.4	176.4	0	0	0	0	0	112.4	G103 G106 G108	G101-G103 PolarHBondContact O-N 2.84Å; G101-G106 CarbonylContact O-C 3.58Å; G101-G106 VanDerWaalsContact O-CA 3.26Å; G101-G106 WeakPolarHBondContact O-CA 3.27Å; G101-G108 WeakPolarHBondContact CA-O 3.37Å
102	L	66.1	Low	62.9	Low	87 Å²	87	104.4 Å²	104.4	46%	0.455	53%	0.532	S	S	.	.	S	Bend	trans	-61.1	126.6	-177.7	-125.7	112.1	0	0	0	112.6	M94 F96 G108	M94-L102 HydrophobicContact CB-CD2 4.33Å; F96-L102 HydrophobicContact CB-CD1 3.99Å; F96-L102 HydrophobicContact CD2-CD1 3.71Å; F96-L102 HydrophobicContact CG-CD1 4.17Å; L102-G108 WeakPolarHBondContact O-CA 3.35Å; L102-G108 PolarHBondContact O-N 2.99Å; L102-G108 VanDerWaalsContact O-N 3.13Å
103	G	59.5	Low	62	Low	35 Å²	35	106.2 Å²	106.2	36%	0.361	54%	0.536	S	S	.	.	S	Bend	trans	142.3	161.1	175.2	0	0	0	0	0	113.6	G101 Y105 G106	G101-G103 PolarHBondContact O-N 2.84Å; G103-Y105 PolarHBondContact O-N 3.28Å; G103-G106 PolarHBondContact O-N 3.47Å
104	K	58.5	Low	60.9	Low	180 Å²	180	105.4 Å²	105.4	78%	0.783	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.4	-173.7	-170.9	178.5	177.5	-173.9	0	114.8
105	Y	63.4	Low	59.8	Low	176 Å²	176	103.4 Å²	103.4	69%	0.69	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	20.7	179.6	-53	-77.7	0	0	0	113.6	G103 Q107	G103-Y105 PolarHBondContact O-N 3.28Å; Y105-Q107 VanDerWaalsContact C-N 3.25Å; Y105-Q107 PolarHBondContact O-N 3.2Å
106	G	59.8	Low	58.5	Low	24 Å²	24	105.6 Å²	105.6	25%	0.247	55%	0.547	C	S	.	.	S	Bend	trans	73.6	13.6	177.9	0	0	0	0	0	115.1	G101 G103 G108	G101-G106 CarbonylContact O-C 3.58Å; G101-G106 VanDerWaalsContact O-CA 3.26Å; G101-G106 WeakPolarHBondContact O-CA 3.27Å; G103-G106 PolarHBondContact O-N 3.47Å; G106-G108 VanDerWaalsContact C-N 3.33Å; G106-G108 PolarHBondContact O-N 3.02Å
107	Q	64.3	Low	57.3	Low	146 Å²	146	108 Å²	108	68%	0.682	57%	0.571	S	S	*	*			trans	-80.4	-4.5	-170.1	67.3	-150.8	25.6	0	0	115.4	Y105	Y105-Q107 VanDerWaalsContact C-N 3.25Å; Y105-Q107 PolarHBondContact O-N 3.2Å
108	G	62.5	Low	55.9	Low	24 Å²	24	108 Å²	108	25%	0.247	58%	0.578	C	S	.	*	S	Bend	trans	-70.5	169.2	175.1	0	0	0	0	0	112.3	G101 L102 G106 K110	G101-G108 WeakPolarHBondContact CA-O 3.37Å; L102-G108 WeakPolarHBondContact O-CA 3.35Å; L102-G108 PolarHBondContact O-N 2.99Å; L102-G108 VanDerWaalsContact O-N 3.13Å; G106-G108 VanDerWaalsContact C-N 3.33Å; G106-G108 PolarHBondContact O-N 3.02Å; G108-K110 PolarHBondContact O-N 2.74Å
109	R	59.2	Low	55	Low	182 Å²	182	111.1 Å²	111.1	69%	0.687	59%	0.59	S	S	*	*			trans	-62.5	129.4	174.6	-155.2	176.9	-173.4	171.7	-2.2	109.3	D111	R109-D111 WeakPolarHBondContact CG-O 3.41Å
110	K	59.2	Low	54	Low	147 Å²	147	112 Å²	112	64%	0.639	60%	0.599	S	S	*	*	S	Bend	trans	-78.3	-30.6	176.9	-70.9	-175.2	177.6	-175.4	0	112.3	G108	G108-K110 PolarHBondContact O-N 2.74Å
111	D	53.6	Low	53	Low	127 Å²	127	118.2 Å²	118.2	68%	0.679	62%	0.618	S	S	*	*	S	Bend	trans	-95.6	147.3	179.9	-56.7	-52.5	0	0	0	111.5	R109 V113	R109-D111 WeakPolarHBondContact CG-O 3.41Å; D111-V113 PolarHBondContact O-N 2.87Å
112	I	57.7	Low	52.6	Low	118 Å²	118	122.9 Å²	122.9	61%	0.605	64%	0.635	S	S	*	*			trans	-56.4	133	179	-59.5	170.3	0	0	0	108.8	E114	I112-E114 PolarHBondContact O-N 2.86Å
113	V	51.4	Low	51.6	Low	104 Å²	104	121.4 Å²	121.4	63%	0.63	64%	0.64	S	S	*	*			trans	-67.7	103.9	163.4	180	0	0	0	0	105.8	D111 A115	D111-V113 PolarHBondContact O-N 2.87Å; V113-A115 PolarHBondContact O-N 3.47Å
114	E	48.7	Very low	50.3	Low	174 Å²	174	130.1 Å²	130.1	81%	0.813	67%	0.668	S	S	*	*			trans	-50.4	128.7	174.8	-73.6	-177	161.7	0	0	109	I112 S116	I112-E114 PolarHBondContact O-N 2.86Å; E114-S116 PolarHBondContact O-N 2.94Å; E114-S116 VanDerWaalsContact O-N 3.13Å
115	A	38.1	Very low	49.7	Very low	94 Å²	94	125 Å²	125	78%	0.777	67%	0.667	S	S	*	*			trans	-55.6	123.8	174.8	0	0	0	0	0	107.9	V113 S117	V113-A115 PolarHBondContact O-N 3.47Å; A115-S117 PolarHBondContact O-N 3.08Å
116	S	37.3	Very low	48.8	Very low	96 Å²	96	122.7 Å²	122.7	67%	0.671	67%	0.666	S	S	*	*			trans	-48	107.4	174.7	157.9	0	0	0	0	109.8	E114 Q118	E114-S116 PolarHBondContact O-N 2.94Å; E114-S116 VanDerWaalsContact O-N 3.13Å; S116-Q118 PolarHBondContact O-N 3.36Å
117	S	40	Very low	48.5	Very low	104 Å²	104	126 Å²	126	73%	0.727	68%	0.682	S	S	*	*			trans	-78.7	63.9	170.3	51.8	0	0	0	0	109.3	A115 K119	A115-S117 PolarHBondContact O-N 3.08Å; S117-K119 PolarHBondContact O-N 2.91Å
118	Q	36.2	Very low	48.2	Very low	176 Å²	176	120.9 Å²	120.9	82%	0.822	66%	0.659	S	S	*	*			trans	-61.8	89	167	-95.5	-175.7	-4.6	0	0	108.4	S116 G120	S116-Q118 PolarHBondContact O-N 3.36Å; Q118-G120 PolarHBondContact O-N 3.47Å
119	K	45.1	Very low	47.6	Very low	180 Å²	180	127.3 Å²	127.3	78%	0.783	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	118.6	166.2	-76.1	179.5	176.1	177	0	107.5	S117	S117-K119 PolarHBondContact O-N 2.91Å
120	G	42.8	Very low	47.5	Very low	75 Å²	75	121 Å²	121	77%	0.773	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.1	-4.1	164	0	0	0	0	0	117.8	Q118	Q118-G120 PolarHBondContact O-N 3.47Å
121	R	44.3	Very low	47.5	Very low	228 Å²	228	114.7 Å²	114.7	86%	0.86	64%	0.644	S	S	*	*			trans	-127.9	101.8	169.2	-72.5	-174.7	178.2	178.8	-1.1	109.7	G123	R121-G123 PolarHBondContact O-N 3.31Å
122	R	57	Low	47.4	Very low	104 Å²	104	114.5 Å²	114.5	39%	0.392	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-49.9	128.4	157	-68.6	-176.9	-175.2	148	2.1	105.8	F124 E209 V514	R122-F124 PolarHBondContact O-N 3.34Å; R122-E209 IonicContact CZ-OE1 3.77Å; R122-E209 IonicContact NE-OE1 3.41Å; R122-E209 PolarHBondContact NE-OE1 2.84Å; R122-E209 IonicContact NH2-OE1 2.72Å; R122-E209 PolarHBondContact NH2-OE1 2.91Å; R122-E209 IonicContact NH2-OE2 3.94Å; R122-E209 PolarHBondContact NH2-OE2 3.31Å; R122-V514 PolarHBondContact NH2-O 2.88Å
123	G	44.8	Very low	47.2	Very low	55 Å²	55	111 Å²	111	57%	0.567	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-51.4	142.2	-178.1	0	0	0	0	0	110.5	R121 G125 L126	R121-G123 PolarHBondContact O-N 3.31Å; G123-G125 PolarHBondContact O-N 3.49Å; G123-L126 PolarHBondContact O-N 3.33Å
124	F	33.1	Very low	47.2	Very low	218 Å²	218	114.4 Å²	114.4	96%	0.956	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	116.2	174.3	-93	-88.3	0	0	0	109.2	R122	R122-F124 PolarHBondContact O-N 3.34Å
125	G	44.4	Very low	47.8	Very low	74 Å²	74	108.4 Å²	108.4	76%	0.763	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.1	7.9	175.3	0	0	0	0	0	117.4	G123 T127	G123-G125 PolarHBondContact O-N 3.49Å; G125-T127 PolarHBondContact O-N 2.96Å
126	L	46.2	Very low	49.1	Very low	126 Å²	126	110.8 Å²	110.8	66%	0.66	62%	0.618	S	S	*	*			trans	-84.5	99.9	172.9	-151	100.3	0	0	0	111	G123	G123-L126 PolarHBondContact O-N 3.33Å
127	T	52.6	Low	51.1	Low	95 Å²	95	108.2 Å²	108.2	58%	0.583	60%	0.597	S	S	*	*			trans	-82.6	125.7	172.1	-35.3	0	0	0	0	109.6	G125 K129 D132	G125-T127 PolarHBondContact O-N 2.96Å; T127-K129 PolarHBondContact O-N 3.29Å; T127-D132 WeakPolarHBondContact CG2-OD1 3.28Å
128	L	57.5	Low	53.3	Low	37 Å²	37	108.1 Å²	108.1	19%	0.194	59%	0.588	C	S	.	*			trans	-75.3	110.5	172.8	-76.5	169.9	0	0	0	108.2	F131 L205 V514	L128-F131 HydrophobicContact CB-CB 3.84Å; L128-F131 HydrophobicContact CB-CD2 4.06Å; L128-F131 HydrophobicContact CB-CG 4.06Å; L128-F131 HydrophobicContact CD1-CD1 4.41Å; L128-F131 HydrophobicContact CD1-CD2 4.44Å; L128-F131 HydrophobicContact CD1-CG 4.28Å; L128-F131 PolarHBondContact O-N 2.96Å; L128-F131 VanDerWaalsContact O-N 3.11Å; L128-L205 HydrophobicContact CD1-CD1 4.19Å; L128-L205 HydrophobicContact CD2-CD1 4.17Å; L128-V514 HydrophobicContact CD1-CG1 4.41Å
129	K	51.6	Low	55.6	Low	160 Å²	160	102.1 Å²	102.1	70%	0.696	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	139.7	169.9	-70.1	-176.3	176.8	-177.6	0	109	T127 F131 E204	T127-K129 PolarHBondContact O-N 3.29Å; K129-F131 VanDerWaalsContact C-N 3.3Å; K129-F131 PolarHBondContact O-N 3.41Å; K129-E204 WeakPolarHBondContact CB-OE2 3.42Å
130	G	55.7	Low	57.6	Low	49 Å²	49	100.4 Å²	100.4	51%	0.505	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.4	-14.1	-173.3	0	0	0	0	0	115.8
131	F	59.6	Low	59.7	Low	15 Å²	15	102.3 Å²	102.3	7%	0.066	55%	0.545	C	S	.	.			trans	-101.6	3	179	-81.1	-114.1	0	0	0	114.2	L128 K129 G133 V201 L205 R511 V514 Q515	L128-F131 HydrophobicContact CB-CB 3.84Å; L128-F131 HydrophobicContact CB-CD2 4.06Å; L128-F131 HydrophobicContact CB-CG 4.06Å; L128-F131 HydrophobicContact CD1-CD1 4.41Å; L128-F131 HydrophobicContact CD1-CD2 4.44Å; L128-F131 HydrophobicContact CD1-CG 4.28Å; L128-F131 PolarHBondContact O-N 2.96Å; L128-F131 VanDerWaalsContact O-N 3.11Å; K129-F131 VanDerWaalsContact C-N 3.3Å; K129-F131 PolarHBondContact O-N 3.41Å; F131-G133 VanDerWaalsContact C-N 3.33Å; F131-G133 PolarHBondContact O-N 3.46Å; F131-V201 HydrophobicContact CD2-CG1 4.08Å; F131-V201 HydrophobicContact CE1-CG1 4.43Å; F131-V201 HydrophobicContact CE2-CG1 3.59Å; F131-V201 WeakPolarHBondContact CE2-O 3.31Å; F131-V201 HydrophobicContact CZ-CG1 3.78Å; F131-L205 HydrophobicContact CE2-CD1 3.82Å; F131-L205 HydrophobicContact CZ-CD1 3.86Å; F131-R511 HydrophobicContact CD1-CG 3.81Å; F131-R511 HydrophobicContact CE1-CB 4.36Å; F131-R511 HydrophobicContact CE1-CG 3.27Å; F131-R511 HydrophobicContact CZ-CG 3.97Å; F131-R511 PolarHBondContact O-NH2 3.14Å; F131-V514 HydrophobicContact CE1-CB 4.39Å; F131-V514 HydrophobicContact CE1-CG1 4.12Å; F131-V514 HydrophobicContact CZ-CG1 4.24Å; F131-Q515 HydrophobicContact CD1-CG 3.88Å; F131-Q515 HydrophobicContact CE1-CG 4.2Å
132	D	51.7	Low	61.7	Low	122 Å²	122	94.5 Å²	94.5	65%	0.652	52%	0.518	S	S	*	.	S	Bend	trans	-79.7	-7.3	-177.5	-67.3	-37	0	0	0	114.4	T127	T127-D132 WeakPolarHBondContact CG2-OD1 3.28Å
133	G	53.6	Low	63.2	Low	46 Å²	46	95.3 Å²	95.3	47%	0.474	54%	0.537	S	S	.	.	S	Bend	trans	-100.4	134.8	175.8	0	0	0	0	0	113	F131 L135 R511	F131-G133 VanDerWaalsContact C-N 3.33Å; F131-G133 PolarHBondContact O-N 3.46Å; G133-L135 PolarHBondContact O-N 3.12Å; G133-R511 PolarHBondContact O-NH1 2.79Å; G133-R511 PolarHBondContact O-NH2 3.22Å
134	E	51.1	Low	65.5	Low	175 Å²	175	100 Å²	100	82%	0.818	54%	0.544	S	S	*	.			trans	-64.4	114.4	169.8	-69.2	-177.7	165.1	0	0	109.5	N136	E134-N136 PolarHBondContact O-N 2.86Å
135	L	60.6	Low	68.3	Low	47 Å²	47	90.8 Å²	90.8	25%	0.246	51%	0.506	C	S	.	.			trans	-84.4	103.9	160.3	-90	155.4	0	0	0	105.4	G133 I137 V201 R511	G133-L135 PolarHBondContact O-N 3.12Å; L135-I137 HydrophobicContact CB-CD1 4.3Å; L135-I137 HydrophobicContact CD2-CD1 3.64Å; L135-I137 HydrophobicContact CD2-CG1 4.46Å; L135-I137 HydrophobicContact CG-CD1 4.49Å; L135-I137 PolarHBondContact O-N 3.07Å; L135-V201 HydrophobicContact CD1-CG2 3.96Å; L135-R511 VanDerWaalsContact CG-NH1 3.29Å
136	N	66.1	Low	70.8	Confident	144 Å²	144	89.4 Å²	89.4	77%	0.77	49%	0.485	S	S	*	.			trans	-74.1	52.6	177.9	-71	-16.5	0	0	0	111.6	E134	E134-N136 PolarHBondContact O-N 2.86Å
137	I	80.3	Confident	73.1	Confident	43 Å²	43	83.5 Å²	83.5	22%	0.221	45%	0.454	C	S	.	.			trans	-109.1	114.2	176.9	-61.2	159.9	0	0	0	107.5	L135 W139 I504 K505 A508	L135-I137 HydrophobicContact CB-CD1 4.3Å; L135-I137 HydrophobicContact CD2-CD1 3.64Å; L135-I137 HydrophobicContact CD2-CG1 4.46Å; L135-I137 HydrophobicContact CG-CD1 4.49Å; L135-I137 PolarHBondContact O-N 3.07Å; I137-W139 PolarHBondContact O-N 2.94Å; I137-W139 VanDerWaalsContact O-N 3.16Å; I137-I504 HydrophobicContact CD1-CG2 3.48Å; I137-I504 VanDerWaalsContact CD1-CG2 3.48Å; I137-I504 HydrophobicContact CG1-CG2 4.16Å; I137-I504 HydrophobicContact CG2-CG2 4.14Å; I137-K505 HydrophobicContact CG2-CG 4.45Å; I137-A508 HydrophobicContact CB-CB 4.04Å; I137-A508 HydrophobicContact CD1-CB 4.3Å; I137-A508 HydrophobicContact CG2-CB 3.86Å
138	D	84.3	Confident	75.1	Confident	102 Å²	102	87.4 Å²	87.4	55%	0.545	46%	0.46	S	S	.	.			trans	-78.1	98.7	171	-170.8	3.3	0	0	0	109.7	Q140	D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.36Å; D138-Q140 PolarHBondContact OD1-N 3.47Å
139	W	86.4	Confident	77	Confident	49 Å²	49	87.5 Å²	87.5	19%	0.186	46%	0.459	C	S	.	.			trans	-81.6	-6.1	172.2	65.4	-92.7	0	0	0	112.1	I137 D141 E142 A508 K509 A512 F513 L519	I137-W139 PolarHBondContact O-N 2.94Å; I137-W139 VanDerWaalsContact O-N 3.16Å; W139-D141 VanDerWaalsContact C-N 3.33Å; W139-E142 WeakPolarHBondContact O-CG 3.15Å; W139-E142 VanDerWaalsContact O-OE1 3.09Å; W139-A508 HydrophobicContact CB-CB 4.33Å; W139-K509 HydrophobicContact CB-CB 4.22Å; W139-K509 HydrophobicContact CD2-CB 4.1Å; W139-K509 HydrophobicContact CD2-CG 4.07Å; W139-K509 HydrophobicContact CE3-CB 4.15Å; W139-K509 HydrophobicContact CE3-CD 4.14Å; W139-K509 HydrophobicContact CE3-CG 3.71Å; W139-K509 HydrophobicContact CG-CB 4.13Å; W139-K509 HydrophobicContact CZ3-CD 4.49Å; W139-K509 HydrophobicContact CZ3-CG 4.11Å; W139-A512 HydrophobicContact CZ2-CB 3.99Å; W139-F513 HydrophobicContact CH2-CE2 4.17Å; W139-F513 HydrophobicContact CZ3-CE2 4.44Å; W139-L519 HydrophobicContact CZ2-CD1 4.43Å
140	Q	85.8	Confident	79	Confident	145 Å²	145	88.8 Å²	88.8	68%	0.678	47%	0.468	S	S	*	.	S	Bend	trans	-81.1	-17.9	-178.4	-63.3	-176.6	-2.1	0	0	112.8	D138 E142	D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.36Å; D138-Q140 PolarHBondContact OD1-N 3.47Å; Q140-E142 PolarHBondContact O-N 3.16Å; Q140-E142 VanDerWaalsContact O-N 3.09Å
141	D	86.7	Confident	81	Confident	115 Å²	115	88.6 Å²	88.6	62%	0.615	46%	0.457	S	S	*	.			trans	-79.7	39.2	172.9	-176.3	48.7	0	0	0	112.5	W139 K505	W139-D141 VanDerWaalsContact C-N 3.33Å; D141-K505 PolarHBondContact O-NZ 3.08Å; D141-K505 IonicContact OD2-NZ 2.85Å
142	E	87.2	Confident	82.7	Confident	64 Å²	64	92.3 Å²	92.3	30%	0.299	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-88.3	146.4	171.3	-21.6	-178.5	-129.8	0	0	109.7	W139 Q140 K509	W139-E142 WeakPolarHBondContact O-CG 3.15Å; W139-E142 VanDerWaalsContact O-OE1 3.09Å; Q140-E142 PolarHBondContact O-N 3.16Å; Q140-E142 VanDerWaalsContact O-N 3.09Å; E142-K509 VanDerWaalsContact OE1-CD 3.25Å; E142-K509 WeakPolarHBondContact OE1-CD 3.27Å; E142-K509 VanDerWaalsContact OE1-CE 3.3Å; E142-K509 WeakPolarHBondContact OE1-CE 3.33Å; E142-K509 IonicContact OE1-NZ 3.42Å; E142-K509 PolarHBondContact OE1-NZ 3.43Å; E142-K509 IonicContact OE2-NZ 3.1Å
143	P	89	Confident	84.9	Confident	121 Å²	121	89.5 Å²	89.5	79%	0.786	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-59.8	150.4	166.6	28.2	-34.3	0	0	0	110.3
144	E	91.3	Very high	87	Confident	152 Å²	152	87.5 Å²	87.5	71%	0.71	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-58	137.8	175.6	-73.4	-159.6	167.1	0	0	111	S146 R523	E144-S146 PolarHBondContact O-N 3.42Å; E144-R523 IonicContact OE2-CZ 3.72Å; E144-R523 IonicContact OE2-NH1 3.86Å; E144-R523 PolarHBondContact OE2-NH1 2.82Å
145	P	93.4	Very high	88.9	Confident	26 Å²	26	84.2 Å²	84.2	17%	0.169	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-58.1	138.2	175	-24.7	34.6	0	0	0	111.7	P219 I527	P145-P219 HydrophobicContact CB-CB 3.59Å; P145-P219 HydrophobicContact CB-CG 3.97Å; P145-P219 HydrophobicContact CG-CB 3.57Å; P145-P219 HydrophobicContact CG-CG 3.47Å; P145-P219 VanDerWaalsContact CG-CG 3.47Å; P145-I527 HydrophobicContact CB-CD1 3.46Å; P145-I527 VanDerWaalsContact CB-CD1 3.46Å; P145-I527 HydrophobicContact CB-CG1 4.44Å; P145-I527 HydrophobicContact CG-CD1 4.25Å
146	S	95.7	Very high	90.1	Very high	45 Å²	45	83.9 Å²	83.9	32%	0.315	43%	0.432	S	S	.	.			trans	-139.3	145.8	-174	177.6	0	0	0	0	110.6	E144 Y148 Y220	E144-S146 PolarHBondContact O-N 3.42Å; S146-Y148 PolarHBondContact OG-N 2.94Å; S146-Y220 PolarHBondContact N-OH 3.08Å; S146-Y220 VanDerWaalsContact N-OH 3.13Å; S146-Y220 WeakPolarHBondContact O-CE1 3.23Å; S146-Y220 PolarHBondContact O-OH 3.13Å
147	A	95.4	Very high	91.3	Very high	2 Å²	2	77.9 Å²	77.9	2%	0.017	40%	0.401	C	S	.	.	S	Bend	trans	-74.9	-15.3	170	0	0	0	0	0	113	E530 L534	A147-E530 HydrophobicContact CB-CB 3.86Å; A147-L534 HydrophobicContact CB-CD2 4.18Å; A147-L534 VanDerWaalsContact O-CD2 3.25Å; A147-L534 WeakPolarHBondContact O-CD2 3.22Å
148	Y	95.2	Very high	91.7	Very high	176 Å²	176	81.8 Å²	81.8	69%	0.69	43%	0.426	S	S	*	.			trans	-90.7	130.7	178.9	-63	-84.8	0	0	0	110.6	S146 L534	S146-Y148 PolarHBondContact OG-N 2.94Å; Y148-L534 HydrophobicContact CD1-CD2 4.25Å; Y148-L534 HydrophobicContact CE1-CD1 4.05Å; Y148-L534 HydrophobicContact CE1-CD2 4.29Å
149	E	96.7	Very high	92	Very high	39 Å²	39	79.7 Å²	79.7	18%	0.182	42%	0.418	C	S	.	.			trans	-121.3	133.8	-176	-68.9	164.5	-90.8	0	0	109.8	N238 V242 F426 P428 V429	E149-N238 PolarHBondContact OE1-ND2 3.14Å; E149-V242 HydrophobicContact CB-CG2 4.21Å; E149-F426 HydrophobicContact CB-CE2 4.24Å; E149-F426 HydrophobicContact CB-CZ 4.01Å; E149-F426 HydrophobicContact CG-CZ 4.46Å; E149-F426 VanDerWaalsContact OE2-CZ 3.31Å; E149-F426 WeakPolarHBondContact OE2-CZ 3.44Å; E149-P428 VanDerWaalsContact OE2-CA 3.28Å; E149-P428 WeakPolarHBondContact OE2-CA 3.3Å; E149-V429 HydrophobicContact CG-CG1 3.72Å; E149-V429 HydrophobicContact CG-CG2 4.49Å; E149-V429 PolarHBondContact OE2-N 3.13Å
150	E	93.9	Very high	92.3	Very high	188 Å²	188	85.9 Å²	85.9	88%	0.879	45%	0.448	S	S	*	.			trans	-89.5	146.6	175.6	-64.9	-174.6	171.5	0	0	110.7
151	V	96.9	Very high	92.8	Very high	45 Å²	45	80.9 Å²	80.9	27%	0.273	43%	0.426	S	S	.	.			trans	-122.1	118.7	179.8	-178.2	0	0	0	0	109	W153 V242 F243 C424 F426	V151-W153 HydrophobicContact CG1-CG 4.39Å; V151-V242 HydrophobicContact CG2-CG1 3.27Å; V151-F243 HydrophobicContact CG1-CE1 3.61Å; V151-F243 HydrophobicContact CG1-CZ 4.13Å; V151-F243 HydrophobicContact CG2-CE1 4.15Å; V151-F243 HydrophobicContact CG2-CZ 4.31Å; V151-C424 HydrophobicContact CG1-CB 4.48Å; V151-F426 HydrophobicContact CG2-CD2 4.34Å; V151-F426 HydrophobicContact CG2-CE2 4.19Å
152	D	96.4	Very high	93.3	Very high	93 Å²	93	75.7 Å²	75.7	50%	0.497	40%	0.398	S	S	.	.			trans	-99.9	111	172.4	-175.1	24.6	0	0	0	110.2	C424 Y491	D152-C424 VanDerWaalsContact O-CB 3.25Å; D152-C424 WeakPolarHBondContact O-CB 3.4Å; D152-Y491 HydrophobicContact CB-CE2 4.43Å; D152-Y491 WeakPolarHBondContact O-CE2 3.07Å; D152-Y491 PolarHBondContact O-OH 3.38Å
153	W	97.5	Very high	93.7	Very high	63 Å²	63	76.6 Å²	76.6	24%	0.239	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-89.8	136.2	177.9	-71.4	87.2	0	0	0	110	V151 F243 R422 I423 C424 I441 K443	V151-W153 HydrophobicContact CG1-CG 4.39Å; W153-F243 HydrophobicContact CH2-CD1 4.17Å; W153-F243 HydrophobicContact CH2-CE1 4.17Å; W153-F243 AromaticContact CZ2-CD1 3.64Å; W153-F243 HydrophobicContact CZ2-CD1 3.64Å; W153-F243 AromaticContact CZ2-CE1 3.7Å; W153-F243 HydrophobicContact CZ2-CE1 3.7Å; W153-R422 HydrophobicContact CD2-CB 4.4Å; W153-R422 HydrophobicContact CE3-CB 3.48Å; W153-R422 VanDerWaalsContact CE3-CB 3.48Å; W153-R422 HydrophobicContact CZ3-CB 3.67Å; W153-I423 VanDerWaalsContact CE3-C 3.48Å; W153-C424 HydrophobicContact CD2-CB 4.08Å; W153-C424 HydrophobicContact CE3-CB 3.9Å; W153-C424 HydrophobicContact CG-CB 4.41Å; W153-C424 HydrophobicContact CZ3-CB 4.39Å; W153-I441 HydrophobicContact CH2-CG2 4.23Å; W153-K443 HydrophobicContact CH2-CB 3.89Å; W153-K443 HydrophobicContact CH2-CD 4.17Å; W153-K443 HydrophobicContact CZ3-CB 4.06Å
154	C	96.1	Very high	94.1	Very high	4 Å²	4	73.5 Å²	73.5	3%	0.027	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-57.8	144.7	165.7	-172.3	0	0	0	0	109	I423 Y491	C154-I423 HydrophobicContact CB-CG1 4.02Å; C154-I423 WeakPolarHBondContact CB-O 3.26Å; C154-I423 PolarHBondContact N-O 3.07Å; C154-Y491 HydrophobicContact CB-CD1 3.8Å; C154-Y491 HydrophobicContact CB-CD2 4.07Å; C154-Y491 HydrophobicContact CB-CE1 3.96Å; C154-Y491 HydrophobicContact CB-CE2 4.22Å; C154-Y491 HydrophobicContact CB-CG 3.86Å
155	L	91.9	Very high	94.2	Very high	106 Å²	106	71.9 Å²	71.9	56%	0.555	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-54.7	153.1	171.2	-70.7	173.7	0	0	0	109.8	C157 Y417 D487	L155-C157 PolarHBondContact O-N 2.84Å; L155-Y417 VanDerWaalsContact O-CE2 3.27Å; L155-Y417 WeakPolarHBondContact O-CE2 3.39Å; L155-D487 HydrophobicContact CB-CB 4.3Å; L155-D487 HydrophobicContact CD1-CB 3.92Å
156	G	85.7	Confident	94.2	Very high	40 Å²	40	74.8 Å²	74.8	41%	0.412	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-68.2	133.6	-177.2	0	0	0	0	0	110.9	T158	G156-T158 PolarHBondContact O-N 3.32Å; G156-T158 VanDerWaalsContact O-N 3.14Å
157	C	91.2	Very high	94.2	Very high	18 Å²	18	72.8 Å²	72.8	12%	0.122	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.1	117.2	177.4	-180	0	0	0	0	111.2	L155 T159 Y417	L155-C157 PolarHBondContact O-N 2.84Å; C157-T159 PolarHBondContact SG-OG1 3.17Å; C157-Y417 WeakPolarHBondContact CA-OH 3.45Å; C157-Y417 HydrophobicContact CB-CD1 3.96Å; C157-Y417 HydrophobicContact CB-CD2 3.86Å; C157-Y417 HydrophobicContact CB-CE1 3.6Å; C157-Y417 HydrophobicContact CB-CE2 3.49Å; C157-Y417 VanDerWaalsContact CB-CE2 3.49Å; C157-Y417 HydrophobicContact CB-CG 4.1Å; C157-Y417 WeakPolarHBondContact CB-O 3.41Å; C157-Y417 VanDerWaalsContact SG-CE1 3.53Å
158	T	89.3	Confident	93.9	Very high	124 Å²	124	80.5 Å²	80.5	76%	0.761	41%	0.413	S	S	*	.			trans	-92.3	-14	178.1	56.2	0	0	0	0	113.2	G156	G156-T158 PolarHBondContact O-N 3.32Å; G156-T158 VanDerWaalsContact O-N 3.14Å
159	T	90.4	Very high	93.8	Very high	59 Å²	59	79.3 Å²	79.3	36%	0.362	41%	0.414	S	S	.	.	S	Bend	trans	-78	152.3	177	64.5	0	0	0	0	110.6	C157	C157-T159 PolarHBondContact SG-OG1 3.17Å
160	E	92.9	Very high	93.9	Very high	178 Å²	178	78 Å²	78	83%	0.832	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-65.9	160	170.7	-65.5	-171.3	165.5	0	0	110.7
161	I	97	Very high	94	Very high	41 Å²	41	72 Å²	72	21%	0.21	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-68.8	129.3	174.7	-63.8	165.1	0	0	0	107.5	D163 C418 K446 L447 I449 V452	I161-D163 PolarHBondContact O-N 3.4Å; I161-C418 WeakPolarHBondContact CG1-O 3.43Å; I161-K446 HydrophobicContact CD1-CB 3.98Å; I161-K446 HydrophobicContact CD1-CD 4.32Å; I161-L447 WeakPolarHBondContact CD1-O 3.37Å; I161-I449 HydrophobicContact CD1-CG2 3.88Å; I161-V452 HydrophobicContact CG2-CG2 3.77Å
162	P	96.9	Very high	94.1	Very high	5 Å²	5	72.8 Å²	72.8	3%	0.032	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.9	179.8	-25.6	34.4	0	0	0	111.9	E166 L167 W170	P162-E166 WeakPolarHBondContact CA-OE2 3.48Å; P162-E166 HydrophobicContact CB-CG 4.49Å; P162-L167 HydrophobicContact CB-CD1 4.35Å; P162-L167 HydrophobicContact CB-CD2 3.86Å; P162-L167 HydrophobicContact CB-CG 3.86Å; P162-L167 WeakPolarHBondContact O-CD1 3.23Å; P162-W170 HydrophobicContact CB-CH2 3.71Å; P162-W170 HydrophobicContact CB-CZ2 4.27Å; P162-W170 HydrophobicContact CB-CZ3 4.08Å; P162-W170 HydrophobicContact CG-CH2 3.37Å; P162-W170 HydrophobicContact CG-CZ2 4.27Å; P162-W170 HydrophobicContact CG-CZ3 3.83Å
163	D	95.9	Very high	94.2	Very high	83 Å²	83	71 Å²	71	44%	0.444	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-86.2	170.8	178.9	75.2	21.2	0	0	0	112.3	I161 Q165 E166 L167	I161-D163 PolarHBondContact O-N 3.4Å; D163-Q165 PolarHBondContact O-N 3.01Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.34Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.29Å; D163-Q165 PolarHBondContact OD1-N 3.24Å; D163-E166 PolarHBondContact O-N 3.24Å; D163-E166 PolarHBondContact OD1-N 3.39Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 WeakPolarHBondContact O-CD1 3.39Å; D163-L167 WeakPolarHBondContact O-CG 3.25Å; D163-L167 PolarHBondContact O-N 2.9Å
164	A	95.4	Very high	94.2	Very high	56 Å²	56	69 Å²	69	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-27.9	179.4	0	0	0	0	0	114.5	K168 D451	A164-K168 WeakPolarHBondContact O-CB 3.29Å; A164-K168 PolarHBondContact O-N 3.02Å; A164-D451 HydrophobicContact CB-CB 4.36Å; A164-D451 PolarHBondContact N-OD2 2.85Å
165	Q	93.7	Very high	94.2	Very high	118 Å²	118	76.9 Å²	76.9	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-77.3	-43.2	-178.7	179.3	58	40.1	0	0	110.7	D163	D163-Q165 PolarHBondContact O-N 3.01Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.34Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.29Å; D163-Q165 PolarHBondContact OD1-N 3.24Å
166	E	94.1	Very high	94.5	Very high	88 Å²	88	75.8 Å²	75.8	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-49.4	173.5	-178.9	171.8	-153.9	0	0	111	P162 D163 K168 E169 W170	P162-E166 WeakPolarHBondContact CA-OE2 3.48Å; P162-E166 HydrophobicContact CB-CG 4.49Å; D163-E166 PolarHBondContact O-N 3.24Å; D163-E166 PolarHBondContact OD1-N 3.39Å; E166-K168 PolarHBondContact O-N 2.69Å; E166-E169 PolarHBondContact O-N 2.72Å; E166-W170 VanDerWaalsContact CD-CZ2 3.47Å; E166-W170 HydrophobicContact CG-CH2 4.5Å; E166-W170 HydrophobicContact CG-CZ2 3.51Å; E166-W170 PolarHBondContact O-NE1 2.86Å; E166-W170 VanDerWaalsContact OE1-CZ2 3.3Å; E166-W170 WeakPolarHBondContact OE1-CZ2 3.12Å
167	L	95.9	Very high	95	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-28.6	-178	-71.1	168.3	0	0	0	113.7	P162 D163 E169 W170 L415 D451 V452 Y455	P162-L167 HydrophobicContact CB-CD1 4.35Å; P162-L167 HydrophobicContact CB-CD2 3.86Å; P162-L167 HydrophobicContact CB-CG 3.86Å; P162-L167 WeakPolarHBondContact O-CD1 3.23Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 WeakPolarHBondContact O-CD1 3.39Å; D163-L167 WeakPolarHBondContact O-CG 3.25Å; D163-L167 PolarHBondContact O-N 2.9Å; L167-E169 PolarHBondContact O-N 3.4Å; L167-W170 HydrophobicContact CD2-CD2 4.19Å; L167-W170 HydrophobicContact CD2-CE3 3.53Å; L167-W170 HydrophobicContact CD2-CZ3 3.73Å; L167-W170 PolarHBondContact O-N 3.36Å; L167-L415 HydrophobicContact CD2-CD2 4.12Å; L167-D451 HydrophobicContact CD1-CB 4.05Å; L167-V452 HydrophobicContact CD1-CG2 4.02Å; L167-Y455 HydrophobicContact CB-CD2 3.87Å; L167-Y455 HydrophobicContact CB-CE2 4.45Å; L167-Y455 HydrophobicContact CB-CG 4.05Å; L167-Y455 HydrophobicContact CD1-CG 4.37Å; L167-Y455 HydrophobicContact CD2-CD1 3.98Å; L167-Y455 HydrophobicContact CD2-CD2 4.5Å; L167-Y455 HydrophobicContact CD2-CE1 4.39Å; L167-Y455 HydrophobicContact CD2-CG 4.05Å; L167-Y455 HydrophobicContact CG-CG 4.4Å; L167-Y455 WeakPolarHBondContact O-CE2 3.39Å
168	K	89.4	Confident	95.3	Very high	164 Å²	164	79.7 Å²	79.7	71%	0.713	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.7	-179	-171.9	176.6	179.3	-176.8	0	112.9	A164 E166	A164-K168 WeakPolarHBondContact O-CB 3.29Å; A164-K168 PolarHBondContact O-N 3.02Å; E166-K168 PolarHBondContact O-N 2.69Å
169	E	92.9	Very high	95.6	Very high	152 Å²	152	76.9 Å²	76.9	71%	0.71	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.8	-176.6	-60.3	-173.4	175.8	0	0	113	E166 L167	E166-E169 PolarHBondContact O-N 2.72Å; L167-E169 PolarHBondContact O-N 3.4Å
170	W	97.6	Very high	95.9	Very high	12 Å²	12	74.1 Å²	74.1	5%	0.045	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-30.9	-170.4	-74.8	13.4	0	0	0	114.9	P162 E166 L167 T172 Y414 L415 V476 V477 P478 V481	P162-W170 HydrophobicContact CB-CH2 3.71Å; P162-W170 HydrophobicContact CB-CZ2 4.27Å; P162-W170 HydrophobicContact CB-CZ3 4.08Å; P162-W170 HydrophobicContact CG-CH2 3.37Å; P162-W170 HydrophobicContact CG-CZ2 4.27Å; P162-W170 HydrophobicContact CG-CZ3 3.83Å; E166-W170 VanDerWaalsContact CD-CZ2 3.47Å; E166-W170 HydrophobicContact CG-CH2 4.5Å; E166-W170 HydrophobicContact CG-CZ2 3.51Å; E166-W170 PolarHBondContact O-NE1 2.86Å; E166-W170 VanDerWaalsContact OE1-CZ2 3.3Å; E166-W170 WeakPolarHBondContact OE1-CZ2 3.12Å; L167-W170 HydrophobicContact CD2-CD2 4.19Å; L167-W170 HydrophobicContact CD2-CE3 3.53Å; L167-W170 HydrophobicContact CD2-CZ3 3.73Å; L167-W170 PolarHBondContact O-N 3.36Å; W170-T172 PolarHBondContact O-N 2.96Å; W170-Y414 HydrophobicContact CH2-CE1 4.27Å; W170-L415 HydrophobicContact CE3-CD2 4.31Å; W170-L415 HydrophobicContact CZ3-CD2 3.73Å; W170-V476 WeakPolarHBondContact CB-O 3.31Å; W170-V477 HydrophobicContact CD2-CG1 4.38Å; W170-V477 HydrophobicContact CE3-CB 4.1Å; W170-V477 HydrophobicContact CE3-CG1 3.94Å; W170-V477 HydrophobicContact CE3-CG2 3.72Å; W170-V477 HydrophobicContact CH2-CG1 4.18Å; W170-V477 HydrophobicContact CZ3-CB 4.31Å; W170-V477 HydrophobicContact CZ3-CG1 3.85Å; W170-V477 HydrophobicContact CZ3-CG2 3.75Å; W170-P478 HydrophobicContact CB-CG 4.41Å; W170-P478 VanDerWaalsContact CG-CD 3.43Å; W170-P478 HydrophobicContact CG-CG 4.07Å; W170-V481 HydrophobicContact CH2-CG1 4.24Å; W170-V481 HydrophobicContact CZ2-CG1 3.98Å
171	M	97.6	Very high	96.1	Very high	60 Å²	60	71.2 Å²	71.2	30%	0.296	36%	0.356	S	S	.	.			trans	-71.6	115.5	-177.1	-174.7	-178.2	61.7	0	0	111	Y455 V459 R462 V473	M171-Y455 WeakPolarHBondContact CA-OH 3.37Å; M171-Y455 HydrophobicContact CB-CE2 4.11Å; M171-Y455 WeakPolarHBondContact CB-OH 3.5Å; M171-Y455 PolarHBondContact N-OH 3.1Å; M171-V459 HydrophobicContact CG-CG2 4.32Å; M171-V459 HydrophobicContact SD-CB 4.49Å; M171-V459 HydrophobicContact SD-CG2 3.98Å; M171-R462 HydrophobicContact CE-CG 4.17Å; M171-R462 HydrophobicContact SD-CB 4.02Å; M171-R462 HydrophobicContact SD-CG 3.95Å; M171-V473 HydrophobicContact CG-CG1 3.79Å; M171-V473 HydrophobicContact SD-CG1 4.46Å; M171-V473 HydrophobicContact SD-CG2 4.25Å
172	T	97.9	Very high	96.1	Very high	62 Å²	62	73.4 Å²	73.4	38%	0.38	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.8	176.2	-54	0	0	0	0	111	W170 V473 N474 L475	W170-T172 PolarHBondContact O-N 2.96Å; T172-V473 CarbonylContact O-C 3.56Å; T172-N474 PolarHBondContact O-N 3.17Å; T172-L475 HydrophobicContact CG2-CD1 4.46Å; T172-L475 PolarHBondContact N-O 3.35Å; T172-L475 PolarHBondContact O-N 2.94Å
173	V	98.1	Very high	96.1	Very high	55 Å²	55	74.1 Å²	74.1	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130	172.3	177.8	0	0	0	0	108.8	R462 L466 V471 D472 V473	V173-R462 HydrophobicContact CG2-CG 4.47Å; V173-L466 HydrophobicContact CG1-CD1 3.84Å; V173-L466 HydrophobicContact CG2-CD1 4.25Å; V173-V471 HydrophobicContact CG1-CB 3.99Å; V173-V471 HydrophobicContact CG1-CG2 4.06Å; V173-D472 WeakPolarHBondContact CA-O 3.46Å; V173-V473 HydrophobicContact CG2-CG2 4.24Å
174	G	97.3	Very high	96.2	Very high	22 Å²	22	72.8 Å²	72.8	23%	0.227	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	-173.4	178.8	0	0	0	0	0	111.5	R176 V471 D472	G174-R176 PolarHBondContact O-N 3.32Å; G174-V471 CarbonylContact O-C 3.49Å; G174-V471 WeakPolarHBondContact O-CA 3.22Å; G174-V471 WeakPolarHBondContact O-CB 3.24Å; G174-D472 PolarHBondContact N-O 3.22Å; G174-D472 PolarHBondContact O-N 2.87Å
175	K	97.8	Very high	96.3	Very high	169 Å²	169	73.7 Å²	73.7	74%	0.735	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	137	174	-170.8	179.2	179.1	-176.4	0	109.7	K177 N474	K175-K177 PolarHBondContact O-N 3.17Å; K175-N474 PolarHBondContact O-ND2 3.28Å
176	R	97.7	Very high	96.6	Very high	83 Å²	83	68.1 Å²	68.1	31%	0.313	34%	0.335	S	S	.	.			trans	-59.1	119.6	173.6	-178.9	180	-68.3	-88.8	-6.5	108.9	G174 M178 L466 R467 S469 D470 D472	G174-R176 PolarHBondContact O-N 3.32Å; R176-M178 HydrophobicContact CG-CG 4.41Å; R176-M178 HydrophobicContact CG-SD 4.41Å; R176-L466 PolarHBondContact NH2-O 3.22Å; R176-R467 PolarHBondContact NH2-O 2.79Å; R176-S469 PolarHBondContact NE-O 2.86Å; R176-D470 WeakPolarHBondContact CB-O 3.4Å; R176-D470 PolarHBondContact N-O 3.36Å; R176-D472 HydrophobicContact CB-CB 4.12Å; R176-D472 HydrophobicContact CG-CB 4.33Å
177	K	96.6	Very high	96.7	Very high	64 Å²	64	64.1 Å²	64.1	28%	0.278	32%	0.317	S	S	.	.			trans	-106.6	121.8	-179.7	-172.9	-178.5	175.4	-167.1	0	109	K175 V179 D182 E183	K175-K177 PolarHBondContact O-N 3.17Å; K177-V179 WeakPolarHBondContact CE-O 3.4Å; K177-V179 HydrophobicContact CG-CB 4.19Å; K177-D182 WeakPolarHBondContact CE-OD1 3.17Å; K177-D182 VanDerWaalsContact CE-OD2 3.32Å; K177-D182 WeakPolarHBondContact CE-OD2 3.41Å; K177-D182 IonicContact NZ-OD1 3.77Å; K177-D182 PolarHBondContact NZ-OD1 3.19Å; K177-D182 IonicContact NZ-OD2 2.7Å; K177-D182 PolarHBondContact NZ-OD2 3.2Å; K177-E183 WeakPolarHBondContact CD-OE1 3.22Å; K177-E183 VanDerWaalsContact CE-OE1 3.31Å; K177-E183 WeakPolarHBondContact CE-OE1 3.49Å; K177-E183 IonicContact NZ-OE1 3.5Å; K177-E183 PolarHBondContact NZ-OE1 3.18Å; K177-E183 IonicContact NZ-OE2 3.55Å
178	M	96.3	Very high	96.8	Very high	77 Å²	77	66 Å²	66	38%	0.379	33%	0.33	S	S	.	.			trans	-118.2	42.4	176.1	-61.1	-61	-61.7	0	0	109.7	R176 L371 I374 L375	R176-M178 HydrophobicContact CG-CG 4.41Å; R176-M178 HydrophobicContact CG-SD 4.41Å; M178-L371 HydrophobicContact CE-CD1 4.2Å; M178-I374 HydrophobicContact CE-CG2 4.24Å; M178-I374 HydrophobicContact SD-CG2 3.72Å; M178-L375 HydrophobicContact CE-CD2 3.73Å; M178-L375 HydrophobicContact CE-CG 4.31Å
179	V	96.7	Very high	97.2	Very high	65 Å²	65	64.7 Å²	64.7	39%	0.394	33%	0.326	S	S	.	.			trans	-131	126.3	-176.2	-179.5	0	0	0	0	105.7	K177 E181 D182	K177-V179 WeakPolarHBondContact CE-O 3.4Å; K177-V179 HydrophobicContact CG-CB 4.19Å; V179-E181 WeakPolarHBondContact CG1-OE2 3.34Å; V179-D182 WeakPolarHBondContact CG1-OD1 3.41Å
180	I	97.1	Very high	97.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.324	C	S	.	.			trans	-111.1	-19.3	-176.4	-166.9	62.4	0	0	0	111.3	D182 E183 L196 N370 L371 I374 F405 T406	I180-D182 PolarHBondContact O-N 3.26Å; I180-E183 HydrophobicContact CD1-CB 4.27Å; I180-E183 HydrophobicContact CD1-CG 4.03Å; I180-E183 PolarHBondContact O-N 3.26Å; I180-L196 HydrophobicContact CG2-CD1 4.02Å; I180-L196 HydrophobicContact CG2-CD2 3.89Å; I180-N370 HydrophobicContact CG2-CB 4.33Å; I180-L371 HydrophobicContact CB-CD2 4.33Å; I180-L371 HydrophobicContact CG2-CD2 4.28Å; I180-I374 HydrophobicContact CB-CD1 4.4Å; I180-I374 HydrophobicContact CD1-CD1 4.29Å; I180-I374 HydrophobicContact CD1-CG1 4.46Å; I180-F405 HydrophobicContact CD1-CB 4.41Å; I180-F405 HydrophobicContact CD1-CD2 4.36Å; I180-T406 HydrophobicContact CD1-CG2 4.16Å
181	E	95.9	Very high	97.2	Very high	116 Å²	116	64.9 Å²	64.9	54%	0.542	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	-173	-62.7	84.3	167.4	0	0	113.7	V179 L196	V179-E181 WeakPolarHBondContact CG1-OE2 3.34Å; E181-L196 HydrophobicContact CB-CD1 4.46Å; E181-L196 HydrophobicContact CG-CD1 4.09Å
182	D	96.6	Very high	97.1	Very high	88 Å²	88	62 Å²	62	47%	0.471	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	9.6	-178.6	68.8	-25.4	0	0	0	113.1	K177 V179 I180 T184	K177-D182 WeakPolarHBondContact CE-OD1 3.17Å; K177-D182 VanDerWaalsContact CE-OD2 3.32Å; K177-D182 WeakPolarHBondContact CE-OD2 3.41Å; K177-D182 IonicContact NZ-OD1 3.77Å; K177-D182 PolarHBondContact NZ-OD1 3.19Å; K177-D182 IonicContact NZ-OD2 2.7Å; K177-D182 PolarHBondContact NZ-OD2 3.2Å; V179-D182 WeakPolarHBondContact CG1-OD1 3.41Å; I180-D182 PolarHBondContact O-N 3.26Å; D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 3.23Å
183	E	97.9	Very high	96.9	Very high	19 Å²	19	67.2 Å²	67.2	9%	0.089	33%	0.327	C	S	.	.			trans	-82.1	66	177.6	-64.7	-70.9	174.7	0	0	111.3	K177 I180 F405 T406 P407	K177-E183 WeakPolarHBondContact CD-OE1 3.22Å; K177-E183 VanDerWaalsContact CE-OE1 3.31Å; K177-E183 WeakPolarHBondContact CE-OE1 3.49Å; K177-E183 IonicContact NZ-OE1 3.5Å; K177-E183 PolarHBondContact NZ-OE1 3.18Å; K177-E183 IonicContact NZ-OE2 3.55Å; I180-E183 HydrophobicContact CD1-CB 4.27Å; I180-E183 HydrophobicContact CD1-CG 4.03Å; I180-E183 PolarHBondContact O-N 3.26Å; E183-F405 HydrophobicContact CB-CB 3.94Å; E183-T406 HydrophobicContact CG-CG2 4.01Å; E183-P407 WeakPolarHBondContact OE2-CD 3.19Å
184	T	98	Very high	96.7	Very high	55 Å²	55	67.2 Å²	67.2	34%	0.337	33%	0.325	S	S	.	.			trans	-101.6	9.5	-171.9	57.6	0	0	0	0	114.5	D182 F186 C187 E189 L192	D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 3.23Å; T184-F186 PolarHBondContact O-N 2.76Å; T184-C187 CarbonylContact C-O 3.41Å; T184-C187 VanDerWaalsContact CA-O 3.31Å; T184-C187 WeakPolarHBondContact CA-O 3.26Å; T184-E189 HydrophobicContact CG2-CB 3.84Å; T184-E189 HydrophobicContact CG2-CG 4.13Å; T184-L192 HydrophobicContact CG2-CD2 3.88Å
185	E	98.1	Very high	96.6	Very high	76 Å²	76	66.2 Å²	66.2	36%	0.355	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.6	-178.3	-69.2	-66.3	169.2	0	0	113.2	P407 K483 Y489	E185-P407 HydrophobicContact CB-CG 4.47Å; E185-P407 HydrophobicContact CG-CG 4.18Å; E185-K483 WeakPolarHBondContact OE2-CE 3.18Å; E185-K483 IonicContact OE2-NZ 2.63Å; E185-K483 PolarHBondContact OE2-NZ 3.26Å; E185-Y489 PolarHBondContact O-OH 3.28Å
186	F	98.3	Very high	96.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	19.9	-174.2	-54.1	-78.1	0	0	0	113.3	T184 P407 V410 I482 Y489 I492 N496	T184-F186 PolarHBondContact O-N 2.76Å; F186-P407 HydrophobicContact CE2-CB 4.22Å; F186-P407 HydrophobicContact CE2-CG 4.12Å; F186-V410 HydrophobicContact CB-CG2 4.33Å; F186-V410 HydrophobicContact CD1-CG1 4.07Å; F186-V410 HydrophobicContact CD1-CG2 4.45Å; F186-V410 HydrophobicContact CD2-CB 4.1Å; F186-V410 HydrophobicContact CD2-CG1 4.35Å; F186-V410 HydrophobicContact CD2-CG2 3.67Å; F186-V410 HydrophobicContact CE1-CG1 3.83Å; F186-V410 HydrophobicContact CE2-CB 3.95Å; F186-V410 HydrophobicContact CE2-CG1 4.14Å; F186-V410 HydrophobicContact CE2-CG2 4.06Å; F186-V410 HydrophobicContact CG-CB 4.46Å; F186-V410 HydrophobicContact CG-CG1 4.32Å; F186-V410 HydrophobicContact CG-CG2 3.9Å; F186-V410 HydrophobicContact CZ-CB 4.18Å; F186-V410 HydrophobicContact CZ-CG1 3.87Å; F186-I482 HydrophobicContact CE1-CG2 3.75Å; F186-I482 HydrophobicContact CZ-CD1 4.18Å; F186-I482 HydrophobicContact CZ-CG2 4.04Å; F186-Y489 AromaticContact CD1-CD2 3.85Å; F186-Y489 HydrophobicContact CD1-CD2 3.85Å; F186-Y489 AromaticContact CD1-CE2 3.66Å; F186-Y489 HydrophobicContact CD1-CE2 3.66Å; F186-Y489 AromaticContact CE1-CD2 3.77Å; F186-Y489 HydrophobicContact CE1-CD2 3.77Å; F186-Y489 AromaticContact CE1-CE2 3.8Å; F186-Y489 HydrophobicContact CE1-CE2 3.8Å; F186-I492 HydrophobicContact CB-CG2 4.02Å; F186-I492 HydrophobicContact CD1-CG2 4.14Å; F186-I492 HydrophobicContact CG-CG2 4.26Å; F186-N496 WeakPolarHBondContact O-CB 3.35Å; F186-N496 PolarHBondContact O-ND2 3.34Å; F186-N496 VanDerWaalsContact O-ND2 3.07Å
187	C	97.9	Very high	96	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.034	29%	0.291	C	S	.	.	S	Bend	trans	-161.5	139.5	176.8	-173.5	0	0	0	0	108.9	T184 F405 N496	T184-C187 CarbonylContact C-O 3.41Å; T184-C187 VanDerWaalsContact CA-O 3.31Å; T184-C187 WeakPolarHBondContact CA-O 3.26Å; C187-F405 HydrophobicContact CB-CD1 3.67Å; C187-F405 HydrophobicContact CB-CE1 3.79Å; C187-N496 HydrophobicContact CB-CB 4.44Å
188	S	97.2	Very high	95.7	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	28%	0.278	S	S	.	.			trans	-59.9	139.9	174	46.8	0	0	0	0	112.6	E190 L191 L192 E497	S188-E190 PolarHBondContact O-N 3.07Å; S188-L191 PolarHBondContact O-N 2.95Å; S188-L191 VanDerWaalsContact OG-CD1 3.31Å; S188-L191 WeakPolarHBondContact OG-CD1 3.35Å; S188-L191 WeakPolarHBondContact OG-CG 3.49Å; S188-L192 PolarHBondContact O-N 3.46Å; S188-E497 WeakPolarHBondContact CB-OE1 3.35Å; S188-E497 PolarHBondContact N-OE1 2.91Å; S188-E497 PolarHBondContact OG-OE1 2.87Å
189	E	96.9	Very high	95.3	Very high	135 Å²	135	54.3 Å²	54.3	63%	0.631	27%	0.265	S	S	*	.	H	α-helix	trans	-54.5	-40.3	179.4	-173.4	-178.2	166.5	0	0	112.3	T184 R193	T184-E189 HydrophobicContact CG2-CB 3.84Å; T184-E189 HydrophobicContact CG2-CG 4.13Å; E189-R193 VanDerWaalsContact O-CB 3.28Å; E189-R193 WeakPolarHBondContact O-CB 3.28Å; E189-R193 PolarHBondContact O-N 2.72Å
190	E	95.6	Very high	94.9	Very high	144 Å²	144	53.5 Å²	53.5	67%	0.673	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-49.6	178.6	-175.1	-177.1	167.9	0	0	112	S188 R193 N194	S188-E190 PolarHBondContact O-N 3.07Å; E190-R193 PolarHBondContact O-N 3.28Å; E190-N194 WeakPolarHBondContact O-CB 3.29Å; E190-N194 PolarHBondContact O-N 2.91Å; E190-N194 PolarHBondContact O-ND2 3.09Å
191	L	95.1	Very high	94.2	Very high	24 Å²	24	54.3 Å²	54.3	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-42	-179.3	-72.8	177.5	0	0	0	111.7	S188 N194 V195 E497 C500 K501 I504	S188-L191 PolarHBondContact O-N 2.95Å; S188-L191 VanDerWaalsContact OG-CD1 3.31Å; S188-L191 WeakPolarHBondContact OG-CD1 3.35Å; S188-L191 WeakPolarHBondContact OG-CG 3.49Å; L191-N194 PolarHBondContact O-N 3.48Å; L191-V195 PolarHBondContact O-N 2.84Å; L191-E497 HydrophobicContact CD1-CB 3.66Å; L191-E497 HydrophobicContact CD1-CG 3.73Å; L191-C500 HydrophobicContact CB-CB 4.15Å; L191-K501 HydrophobicContact CD1-CG 4.36Å; L191-K501 HydrophobicContact CD2-CG 3.96Å; L191-I504 HydrophobicContact CD2-CD1 4.25Å
192	L	96.6	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-49	177	179.9	58.9	0	0	0	111.1	T184 S188 N194 V195 L196 F405	T184-L192 HydrophobicContact CG2-CD2 3.88Å; S188-L192 PolarHBondContact O-N 3.46Å; L192-N194 VanDerWaalsContact C-N 3.33Å; L192-N194 PolarHBondContact O-N 3.4Å; L192-V195 VanDerWaalsContact O-CG1 3.26Å; L192-V195 WeakPolarHBondContact O-CG1 3.31Å; L192-V195 PolarHBondContact O-N 2.83Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.3Å; L192-L196 VanDerWaalsContact O-N 3.08Å; L192-F405 HydrophobicContact CD1-CD1 4.38Å; L192-F405 HydrophobicContact CD1-CD2 3.63Å; L192-F405 HydrophobicContact CD1-CE1 4.34Å; L192-F405 HydrophobicContact CD1-CE2 3.57Å; L192-F405 HydrophobicContact CD1-CG 4.06Å; L192-F405 HydrophobicContact CD1-CZ 3.96Å
193	R	94.5	Very high	92.8	Very high	172 Å²	172	50.4 Å²	50.4	65%	0.649	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-43.6	176.9	-176.9	177.3	174.2	170.9	-0.7	111.9	E189 E190 L196 Q197	E189-R193 VanDerWaalsContact O-CB 3.28Å; E189-R193 WeakPolarHBondContact O-CB 3.28Å; E189-R193 PolarHBondContact O-N 2.72Å; E190-R193 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact O-N 3.48Å; R193-Q197 WeakPolarHBondContact O-CB 3.13Å; R193-Q197 PolarHBondContact O-N 3.09Å
194	N	92.9	Very high	91.8	Very high	55 Å²	55	55.7 Å²	55.7	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-43.8	-179.3	-73.9	-17.1	0	0	0	112.1	E190 L191 L192 Q197 C198 I504	E190-N194 WeakPolarHBondContact O-CB 3.29Å; E190-N194 PolarHBondContact O-N 2.91Å; E190-N194 PolarHBondContact O-ND2 3.09Å; L191-N194 PolarHBondContact O-N 3.48Å; L192-N194 VanDerWaalsContact C-N 3.33Å; L192-N194 PolarHBondContact O-N 3.4Å; N194-Q197 PolarHBondContact O-N 2.9Å; N194-C198 WeakPolarHBondContact O-CB 2.94Å; N194-C198 PolarHBondContact O-N 3.14Å; N194-C198 PolarHBondContact O-SG 2.97Å; N194-I504 HydrophobicContact CB-CD1 3.71Å; N194-I504 HydrophobicContact CB-CG1 4.47Å
195	V	94.3	Very high	91	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-40.4	179.4	72.3	0	0	0	0	111.8	L191 L192 C198 K199 Q503 I504 L507	L191-V195 PolarHBondContact O-N 2.84Å; L192-V195 VanDerWaalsContact O-CG1 3.26Å; L192-V195 WeakPolarHBondContact O-CG1 3.31Å; L192-V195 PolarHBondContact O-N 2.83Å; V195-C198 PolarHBondContact O-N 2.73Å; V195-K199 WeakPolarHBondContact O-CG 3.37Å; V195-K199 PolarHBondContact O-N 3.37Å; V195-Q503 HydrophobicContact CG2-CB 4.31Å; V195-Q503 HydrophobicContact CG2-CG 4.08Å; V195-Q503 VanDerWaalsContact CG2-OE1 3.3Å; V195-I504 HydrophobicContact CB-CD1 4.07Å; V195-I504 HydrophobicContact CB-CG1 3.77Å; V195-I504 HydrophobicContact CG2-CG1 4.11Å; V195-L507 HydrophobicContact CG2-CD1 4.35Å
196	L	93.6	Very high	90.3	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-44	176.3	-66.9	172	0	0	0	111.3	I180 E181 L192 R193 C198 K199 S200 N370	I180-L196 HydrophobicContact CG2-CD1 4.02Å; I180-L196 HydrophobicContact CG2-CD2 3.89Å; E181-L196 HydrophobicContact CB-CD1 4.46Å; E181-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.3Å; L192-L196 VanDerWaalsContact O-N 3.08Å; R193-L196 PolarHBondContact O-N 3.48Å; L196-C198 VanDerWaalsContact C-N 3.35Å; L196-C198 PolarHBondContact O-N 2.84Å; L196-K199 PolarHBondContact O-N 3.47Å; L196-S200 PolarHBondContact O-N 2.82Å; L196-N370 HydrophobicContact CD2-CB 3.85Å
197	Q	90.4	Very high	89.6	Confident	103 Å²	103	56.9 Å²	56.9	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-43	175.2	-174.6	176.1	-4.5	0	0	111.5	R193 N194 K199 S200 V201	R193-Q197 WeakPolarHBondContact O-CB 3.13Å; R193-Q197 PolarHBondContact O-N 3.09Å; N194-Q197 PolarHBondContact O-N 2.9Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 2.84Å; Q197-S200 PolarHBondContact O-N 2.93Å; Q197-V201 WeakPolarHBondContact O-CG2 3.32Å; Q197-V201 PolarHBondContact O-N 3.37Å
198	C	89.8	Confident	89.1	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-34.8	178	-70.5	0	0	0	0	112.9	N194 V195 L196 F202 L507	N194-C198 WeakPolarHBondContact O-CB 2.94Å; N194-C198 PolarHBondContact O-N 3.14Å; N194-C198 PolarHBondContact O-SG 2.97Å; V195-C198 PolarHBondContact O-N 2.73Å; L196-C198 VanDerWaalsContact C-N 3.35Å; L196-C198 PolarHBondContact O-N 2.84Å; C198-F202 VanDerWaalsContact O-CD2 3.31Å; C198-F202 WeakPolarHBondContact O-CD2 3.36Å; C198-F202 VanDerWaalsContact O-CE2 3.26Å; C198-F202 WeakPolarHBondContact O-CE2 3.25Å; C198-L507 HydrophobicContact CB-CB 3.93Å; C198-L507 HydrophobicContact CB-CD1 3.67Å; C198-L507 HydrophobicContact CB-CG 4.42Å
199	K	89.1	Confident	88.7	Confident	24 Å²	24	61.2 Å²	61.2	10%	0.104	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-48.4	174.1	-72.9	172.4	-179.6	171.9	0	110.6	V195 L196 Q197 V201 F202 N370 D403 S436 L507	V195-K199 WeakPolarHBondContact O-CG 3.37Å; V195-K199 PolarHBondContact O-N 3.37Å; L196-K199 PolarHBondContact O-N 3.47Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 2.84Å; K199-V201 PolarHBondContact O-N 2.91Å; K199-F202 WeakPolarHBondContact O-CD2 3.3Å; K199-F202 PolarHBondContact O-N 2.84Å; K199-F202 VanDerWaalsContact O-N 3.09Å; K199-N370 WeakPolarHBondContact CB-OD1 3.48Å; K199-N370 WeakPolarHBondContact CD-OD1 3.48Å; K199-D403 IonicContact NZ-OD1 2.56Å; K199-D403 IonicContact NZ-OD2 2.67Å; K199-D403 PolarHBondContact NZ-OD2 3.17Å; K199-S436 WeakPolarHBondContact CE-OG 3.4Å; K199-S436 PolarHBondContact NZ-OG 3.11Å; K199-L507 HydrophobicContact CG-CD1 3.87Å
200	S	86.8	Confident	88.3	Confident	47 Å²	47	57.3 Å²	57.3	33%	0.329	29%	0.287	S	S	.	.	H	α-helix	trans	-68.1	-15.5	-176.2	-71.9	0	0	0	0	115.4	L196 Q197 F202 D203 N370	L196-S200 PolarHBondContact O-N 2.82Å; Q197-S200 PolarHBondContact O-N 2.93Å; S200-F202 PolarHBondContact O-N 3.48Å; S200-D203 VanDerWaalsContact CA-OD2 3.29Å; S200-D203 WeakPolarHBondContact CA-OD2 2.74Å; S200-D203 VanDerWaalsContact CB-OD2 3.31Å; S200-D203 WeakPolarHBondContact CB-OD2 3.41Å; S200-D203 WeakPolarHBondContact O-CB 3.38Å; S200-D203 PolarHBondContact O-N 3.23Å; S200-D203 PolarHBondContact OG-OD2 3.3Å; S200-N370 PolarHBondContact OG-ND2 3.22Å
201	V	82.6	Confident	88	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.115	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	170.5	171.6	0	0	0	0	111.8	F131 L135 Q197 K199 R511	F131-V201 HydrophobicContact CD2-CG1 4.08Å; F131-V201 HydrophobicContact CE1-CG1 4.43Å; F131-V201 HydrophobicContact CE2-CG1 3.59Å; F131-V201 WeakPolarHBondContact CE2-O 3.31Å; F131-V201 HydrophobicContact CZ-CG1 3.78Å; L135-V201 HydrophobicContact CD1-CG2 3.96Å; Q197-V201 WeakPolarHBondContact O-CG2 3.32Å; Q197-V201 PolarHBondContact O-N 3.37Å; K199-V201 PolarHBondContact O-N 2.91Å; V201-R511 HydrophobicContact CG1-CG 4.41Å
202	F	82.8	Confident	87.9	Confident	17 Å²	17	59.6 Å²	59.6	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.8	-178	-59.2	-74.6	0	0	0	113.9	C198 K199 S200 E204 L205 M210 L507 I510 R511	C198-F202 VanDerWaalsContact O-CD2 3.31Å; C198-F202 WeakPolarHBondContact O-CD2 3.36Å; C198-F202 VanDerWaalsContact O-CE2 3.26Å; C198-F202 WeakPolarHBondContact O-CE2 3.25Å; K199-F202 WeakPolarHBondContact O-CD2 3.3Å; K199-F202 PolarHBondContact O-N 2.84Å; K199-F202 VanDerWaalsContact O-N 3.09Å; S200-F202 PolarHBondContact O-N 3.48Å; F202-E204 PolarHBondContact O-N 2.84Å; F202-L205 HydrophobicContact CD1-CD2 4.31Å; F202-L205 PolarHBondContact O-N 3.3Å; F202-M210 HydrophobicContact CB-CE 3.91Å; F202-M210 HydrophobicContact CB-SD 4.08Å; F202-M210 HydrophobicContact CD1-CE 3.96Å; F202-M210 HydrophobicContact CD1-CG 4.05Å; F202-M210 HydrophobicContact CD1-SD 4.32Å; F202-M210 HydrophobicContact CD2-CE 4Å; F202-M210 HydrophobicContact CG-CE 3.67Å; F202-M210 HydrophobicContact CG-SD 4.27Å; F202-L507 HydrophobicContact CD2-CD2 4.04Å; F202-L507 HydrophobicContact CE2-CB 4.14Å; F202-L507 HydrophobicContact CE2-CD2 3.58Å; F202-L507 HydrophobicContact CE2-CG 4.46Å; F202-L507 WeakPolarHBondContact CZ-O 3.45Å; F202-I510 HydrophobicContact CE1-CB 4.37Å; F202-I510 HydrophobicContact CE1-CG2 3.71Å; F202-I510 HydrophobicContact CZ-CB 4.09Å; F202-I510 HydrophobicContact CZ-CG2 3.93Å; F202-R511 HydrophobicContact CZ-CB 4.18Å
203	D	80.8	Confident	87.8	Confident	104 Å²	104	59.7 Å²	59.7	56%	0.556	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.1	-177.3	-63.2	-11.6	0	0	0	112.2	S200	S200-D203 VanDerWaalsContact CA-OD2 3.29Å; S200-D203 WeakPolarHBondContact CA-OD2 2.74Å; S200-D203 VanDerWaalsContact CB-OD2 3.31Å; S200-D203 WeakPolarHBondContact CB-OD2 3.41Å; S200-D203 WeakPolarHBondContact O-CB 3.38Å; S200-D203 PolarHBondContact O-N 3.23Å; S200-D203 PolarHBondContact OG-OD2 3.3Å
204	E	77.8	Confident	87.8	Confident	131 Å²	131	52.7 Å²	52.7	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.3	178.7	-59.6	-169.4	162.9	0	0	113.5	K129 F202	K129-E204 WeakPolarHBondContact CB-OE2 3.42Å; F202-E204 PolarHBondContact O-N 2.84Å
205	L	79.9	Confident	87.9	Confident	17 Å²	17	52.2 Å²	52.2	9%	0.089	26%	0.261	C	S	.	.	S	Bend	trans	-86.7	141.4	-177.9	-155.9	86.6	0	0	0	111.2	L128 F131 F202 G207 E209 M210 V514	L128-L205 HydrophobicContact CD1-CD1 4.19Å; L128-L205 HydrophobicContact CD2-CD1 4.17Å; F131-L205 HydrophobicContact CE2-CD1 3.82Å; F131-L205 HydrophobicContact CZ-CD1 3.86Å; F202-L205 HydrophobicContact CD1-CD2 4.31Å; F202-L205 PolarHBondContact O-N 3.3Å; L205-G207 PolarHBondContact O-N 3.46Å; L205-E209 HydrophobicContact CD2-CB 4.38Å; L205-E209 HydrophobicContact CD2-CG 4.37Å; L205-M210 HydrophobicContact CD2-CB 3.81Å; L205-M210 HydrophobicContact CD2-CG 4.37Å; L205-V514 HydrophobicContact CD1-CG1 3.73Å; L205-V514 HydrophobicContact CD2-CG1 3.91Å; L205-V514 HydrophobicContact CD2-CG2 3.74Å; L205-V514 HydrophobicContact CG-CG1 4.48Å
206	D	83.6	Confident	88	Confident	101 Å²	101	54.9 Å²	54.9	54%	0.54	27%	0.272	S	S	.	.			trans	-59.5	130.2	170.2	173	75.8	0	0	0	111.3	E208 E209 M210	D206-E208 VanDerWaalsContact C-N 3.28Å; D206-E208 PolarHBondContact O-N 2.95Å; D206-E208 VanDerWaalsContact OD2-CB 3.27Å; D206-E208 WeakPolarHBondContact OD2-CB 3.4Å; D206-E208 PolarHBondContact OD2-N 3.4Å; D206-E208 VanDerWaalsContact OD2-N 3.12Å; D206-E209 HydrophobicContact CB-CB 4.2Å; D206-E209 WeakPolarHBondContact O-CB 3.3Å; D206-E209 PolarHBondContact O-N 3.27Å; D206-E209 VanDerWaalsContact O-N 3.11Å; D206-E209 PolarHBondContact OD2-N 3.33Å; D206-M210 PolarHBondContact O-N 3.34Å
207	G	83	Confident	88.2	Confident	38 Å²	38	54.5 Å²	54.5	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-26.5	-174	0	0	0	0	0	114.2	L205 R211	L205-G207 PolarHBondContact O-N 3.46Å; G207-R211 WeakPolarHBondContact O-CB 3.23Å; G207-R211 VanDerWaalsContact O-CG 3.26Å; G207-R211 WeakPolarHBondContact O-CG 3.27Å; G207-R211 PolarHBondContact O-N 3.17Å; G207-R211 PolarHBondContact O-NE 2.98Å; G207-R211 VanDerWaalsContact O-NE 3.07Å
208	E	87.5	Confident	88.5	Confident	80 Å²	80	49.9 Å²	49.9	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-73.1	-40.9	173	-81.1	-70.8	147	0	0	111.4	D206 R211 R212	D206-E208 VanDerWaalsContact C-N 3.28Å; D206-E208 PolarHBondContact O-N 2.95Å; D206-E208 VanDerWaalsContact OD2-CB 3.27Å; D206-E208 WeakPolarHBondContact OD2-CB 3.4Å; D206-E208 PolarHBondContact OD2-N 3.4Å; D206-E208 VanDerWaalsContact OD2-N 3.12Å; E208-R211 VanDerWaalsContact CD-NH2 3.3Å; E208-R211 PolarHBondContact O-N 3.48Å; E208-R211 IonicContact OE1-CZ 2.77Å; E208-R211 IonicContact OE1-NH1 3.25Å; E208-R211 PolarHBondContact OE1-NH1 3.17Å; E208-R211 IonicContact OE1-NH2 2.91Å; E208-R211 PolarHBondContact OE1-NH2 2.86Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.48Å; E208-R212 IonicContact OE2-NH2 2.94Å
209	E	88.6	Confident	88.8	Confident	57 Å²	57	50.3 Å²	50.3	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.9	-171.4	160.5	-123.2	0	0	111.9	R122 L205 D206 R211 R212 A213 V514	R122-E209 IonicContact CZ-OE1 3.77Å; R122-E209 IonicContact NE-OE1 3.41Å; R122-E209 PolarHBondContact NE-OE1 2.84Å; R122-E209 IonicContact NH2-OE1 2.72Å; R122-E209 PolarHBondContact NH2-OE1 2.91Å; R122-E209 IonicContact NH2-OE2 3.94Å; R122-E209 PolarHBondContact NH2-OE2 3.31Å; L205-E209 HydrophobicContact CD2-CB 4.38Å; L205-E209 HydrophobicContact CD2-CG 4.37Å; D206-E209 HydrophobicContact CB-CB 4.2Å; D206-E209 WeakPolarHBondContact O-CB 3.3Å; D206-E209 PolarHBondContact O-N 3.27Å; D206-E209 VanDerWaalsContact O-N 3.11Å; D206-E209 PolarHBondContact OD2-N 3.33Å; E209-R211 PolarHBondContact O-N 3.45Å; E209-R212 PolarHBondContact O-N 2.97Å; E209-A213 PolarHBondContact O-N 2.96Å; E209-A213 VanDerWaalsContact O-N 3.1Å; E209-V514 HydrophobicContact CG-CG1 4.4Å
210	M	88.4	Confident	89.3	Confident	54 Å²	54	51 Å²	51	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-57.6	-48.5	174.1	-165.1	-167.9	-179.2	0	0	111.4	F202 L205 D206 R212 A213 R214 I510	F202-M210 HydrophobicContact CB-CE 3.91Å; F202-M210 HydrophobicContact CB-SD 4.08Å; F202-M210 HydrophobicContact CD1-CE 3.96Å; F202-M210 HydrophobicContact CD1-CG 4.05Å; F202-M210 HydrophobicContact CD1-SD 4.32Å; F202-M210 HydrophobicContact CD2-CE 4Å; F202-M210 HydrophobicContact CG-CE 3.67Å; F202-M210 HydrophobicContact CG-SD 4.27Å; L205-M210 HydrophobicContact CD2-CB 3.81Å; L205-M210 HydrophobicContact CD2-CG 4.37Å; D206-M210 PolarHBondContact O-N 3.34Å; M210-R212 VanDerWaalsContact C-N 3.33Å; M210-R212 PolarHBondContact O-N 2.86Å; M210-A213 PolarHBondContact O-N 3.09Å; M210-R214 VanDerWaalsContact O-CB 3.32Å; M210-R214 WeakPolarHBondContact O-CB 3.18Å; M210-R214 PolarHBondContact O-N 2.9Å; M210-I510 HydrophobicContact CG-CG2 4.44Å
211	R	89.8	Confident	89.8	Confident	78 Å²	78	49.3 Å²	49.3	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-35.9	-177.6	-79.2	-176.9	-75	158.4	-2.1	112.5	G207 E208 E209 T215	G207-R211 WeakPolarHBondContact O-CB 3.23Å; G207-R211 VanDerWaalsContact O-CG 3.26Å; G207-R211 WeakPolarHBondContact O-CG 3.27Å; G207-R211 PolarHBondContact O-N 3.17Å; G207-R211 PolarHBondContact O-NE 2.98Å; G207-R211 VanDerWaalsContact O-NE 3.07Å; E208-R211 VanDerWaalsContact CD-NH2 3.3Å; E208-R211 PolarHBondContact O-N 3.48Å; E208-R211 IonicContact OE1-CZ 2.77Å; E208-R211 IonicContact OE1-NH1 3.25Å; E208-R211 PolarHBondContact OE1-NH1 3.17Å; E208-R211 IonicContact OE1-NH2 2.91Å; E208-R211 PolarHBondContact OE1-NH2 2.86Å; E209-R211 PolarHBondContact O-N 3.45Å; R211-T215 WeakPolarHBondContact O-CB 3.49Å; R211-T215 PolarHBondContact O-N 3.24Å; R211-T215 PolarHBondContact O-OG1 3.36Å
212	R	93.3	Very high	90.5	Very high	137 Å²	137	52.2 Å²	52.2	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-68	-43.9	174.5	-71.7	178.7	-165.1	162.4	12.7	112.3	E208 E209 M210 T215 R216	E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.48Å; E208-R212 IonicContact OE2-NH2 2.94Å; E209-R212 PolarHBondContact O-N 2.97Å; M210-R212 VanDerWaalsContact C-N 3.33Å; M210-R212 PolarHBondContact O-N 2.86Å; R212-T215 PolarHBondContact O-N 3.47Å; R212-R216 WeakPolarHBondContact O-CG 3.43Å; R212-R216 PolarHBondContact O-N 3.38Å
213	A	94.2	Very high	91.2	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-43.6	175.3	0	0	0	0	0	111.5	E209 M210 T215 R216 S217 I510 F513 V514	E209-A213 PolarHBondContact O-N 2.96Å; E209-A213 VanDerWaalsContact O-N 3.1Å; M210-A213 PolarHBondContact O-N 3.09Å; A213-T215 VanDerWaalsContact C-N 3.33Å; A213-T215 PolarHBondContact O-N 3.09Å; A213-R216 PolarHBondContact O-N 3.08Å; A213-S217 WeakPolarHBondContact O-CB 3.43Å; A213-S217 PolarHBondContact O-N 3.46Å; A213-S217 PolarHBondContact O-OG 3.04Å; A213-I510 HydrophobicContact CB-CG2 4.17Å; A213-F513 HydrophobicContact CB-CB 3.98Å; A213-V514 HydrophobicContact CB-CB 4.32Å; A213-V514 HydrophobicContact CB-CG2 3.35Å
214	R	95	Very high	91.9	Very high	26 Å²	26	53.7 Å²	53.7	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-42.5	174.3	-172.5	179.9	59.9	54.9	-2.4	112.6	D32 M210 R216 S217 N218 E221 R432 I510	D32-R214 IonicContact OD2-NH2 3.78Å; D32-R214 PolarHBondContact OD2-NH2 3.18Å; M210-R214 VanDerWaalsContact O-CB 3.32Å; M210-R214 WeakPolarHBondContact O-CB 3.18Å; M210-R214 PolarHBondContact O-N 2.9Å; R214-R216 VanDerWaalsContact C-N 3.29Å; R214-R216 PolarHBondContact O-N 3.17Å; R214-S217 WeakPolarHBondContact CA-OG 3.37Å; R214-S217 PolarHBondContact O-N 3.09Å; R214-S217 PolarHBondContact O-OG 2.69Å; R214-N218 WeakPolarHBondContact O-CB 3.44Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 VanDerWaalsContact O-N 3.09Å; R214-E221 IonicContact NH1-OE1 3.65Å; R214-E221 PolarHBondContact NH1-OE1 3.14Å; R214-E221 IonicContact NH1-OE2 3.25Å; R214-E221 PolarHBondContact NH1-OE2 2.86Å; R214-R432 VanDerWaalsContact CZ-NE 3.33Å; R214-R432 VanDerWaalsContact CZ-NH2 3.34Å; R214-I510 HydrophobicContact CB-CD1 4.12Å; R214-I510 HydrophobicContact CB-CG1 4.47Å; R214-I510 HydrophobicContact CG-CD1 3.94Å
215	T	95.3	Very high	92.6	Very high	44 Å²	44	47.9 Å²	47.9	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-36.7	179.4	-62.7	0	0	0	0	112.1	R211 R212 A213 E221 Q524	R211-T215 WeakPolarHBondContact O-CB 3.49Å; R211-T215 PolarHBondContact O-N 3.24Å; R211-T215 PolarHBondContact O-OG1 3.36Å; R212-T215 PolarHBondContact O-N 3.47Å; A213-T215 VanDerWaalsContact C-N 3.33Å; A213-T215 PolarHBondContact O-N 3.09Å; T215-E221 HydrophobicContact CG2-CG 4.03Å; T215-Q524 PolarHBondContact O-NE2 3.29Å
216	R	96.4	Very high	93.4	Very high	57 Å²	57	48.3 Å²	48.3	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-83.4	-27.9	-178.8	-65.5	-176.6	-58	137.2	-5.3	113.6	R212 A213 R214 F513 T517 L519 E521	R212-R216 WeakPolarHBondContact O-CG 3.43Å; R212-R216 PolarHBondContact O-N 3.38Å; A213-R216 PolarHBondContact O-N 3.08Å; R214-R216 VanDerWaalsContact C-N 3.29Å; R214-R216 PolarHBondContact O-N 3.17Å; R216-F513 HydrophobicContact CB-CD1 3.79Å; R216-F513 HydrophobicContact CB-CE1 4.06Å; R216-F513 PolarHBondContact NH2-O 3.26Å; R216-F513 VanDerWaalsContact O-CE1 3.31Å; R216-F513 WeakPolarHBondContact O-CE1 3.46Å; R216-T517 PolarHBondContact NH1-O 3.02Å; R216-L519 PolarHBondContact NH1-O 3.34Å; R216-E521 WeakPolarHBondContact O-CB 3.46Å; R216-E521 PolarHBondContact O-N 3.36Å; R216-E521 VanDerWaalsContact O-N 3.14Å
217	S	96.3	Very high	94	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-89	-24.2	-177.1	49.8	0	0	0	0	114.2	A213 R214 P219 K509 F513 E521	A213-S217 WeakPolarHBondContact O-CB 3.43Å; A213-S217 PolarHBondContact O-N 3.46Å; A213-S217 PolarHBondContact O-OG 3.04Å; R214-S217 WeakPolarHBondContact CA-OG 3.37Å; R214-S217 PolarHBondContact O-N 3.09Å; R214-S217 PolarHBondContact O-OG 2.69Å; S217-P219 VanDerWaalsContact O-CD 3.31Å; S217-P219 WeakPolarHBondContact O-CD 3.35Å; S217-K509 WeakPolarHBondContact O-CE 3.28Å; S217-F513 VanDerWaalsContact CA-CE1 3.49Å; S217-E521 WeakPolarHBondContact O-CG 3.28Å
218	N	97.3	Very high	94.6	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	19%	0.189	C	C	.	.			trans	-80.3	115.3	179.6	175.4	16.2	0	0	0	111.1	R214 Y220 E221 Q524	R214-N218 WeakPolarHBondContact O-CB 3.44Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 VanDerWaalsContact O-N 3.09Å; N218-Y220 PolarHBondContact O-N 2.65Å; N218-Y220 VanDerWaalsContact O-N 3.12Å; N218-Y220 PolarHBondContact OD1-N 3.38Å; N218-E221 HydrophobicContact CB-CB 4.09Å; N218-E221 PolarHBondContact ND2-OE2 3.2Å; N218-E221 PolarHBondContact O-N 3.26Å; N218-Q524 PolarHBondContact O-NE2 2.94Å
219	P	97.3	Very high	94.9	Very high	11 Å²	11	39.8 Å²	39.8	7%	0.071	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.9	179.9	-21.5	33.1	0	0	0	114.1	P145 S217 E521 Q524 I527	P145-P219 HydrophobicContact CB-CB 3.59Å; P145-P219 HydrophobicContact CB-CG 3.97Å; P145-P219 HydrophobicContact CG-CB 3.57Å; P145-P219 HydrophobicContact CG-CG 3.47Å; P145-P219 VanDerWaalsContact CG-CG 3.47Å; S217-P219 VanDerWaalsContact O-CD 3.31Å; S217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-E521 HydrophobicContact CG-CG 4.25Å; P219-Q524 WeakPolarHBondContact O-CA 3.23Å; P219-I527 HydrophobicContact CB-CD1 3.78Å
220	Y	98	Very high	95.1	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.153	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	2.5	-173.7	-51.7	-77.3	0	0	0	113.6	S146 N218 M222 I223 V429 I527	S146-Y220 PolarHBondContact N-OH 3.08Å; S146-Y220 VanDerWaalsContact N-OH 3.13Å; S146-Y220 WeakPolarHBondContact O-CE1 3.23Å; S146-Y220 PolarHBondContact O-OH 3.13Å; N218-Y220 PolarHBondContact O-N 2.65Å; N218-Y220 VanDerWaalsContact O-N 3.12Å; N218-Y220 PolarHBondContact OD1-N 3.38Å; Y220-M222 VanDerWaalsContact C-N 3.26Å; Y220-M222 PolarHBondContact O-N 3.13Å; Y220-I223 HydrophobicContact CD1-CD1 4.41Å; Y220-I223 WeakPolarHBondContact O-CB 3.44Å; Y220-I223 WeakPolarHBondContact O-CG1 3.31Å; Y220-I223 PolarHBondContact O-N 3.08Å; Y220-V429 WeakPolarHBondContact CB-O 3.49Å; Y220-V429 HydrophobicContact CD1-CB 3.72Å; Y220-V429 HydrophobicContact CD1-CG1 4.36Å; Y220-V429 HydrophobicContact CD1-CG2 3.92Å; Y220-V429 HydrophobicContact CD2-CB 3.88Å; Y220-V429 HydrophobicContact CD2-CG1 4.4Å; Y220-V429 HydrophobicContact CE1-CB 3.72Å; Y220-V429 HydrophobicContact CE1-CG1 3.83Å; Y220-V429 HydrophobicContact CE1-CG2 4.06Å; Y220-V429 HydrophobicContact CE2-CB 3.86Å; Y220-V429 HydrophobicContact CE2-CG1 3.86Å; Y220-V429 HydrophobicContact CG-CB 3.81Å; Y220-V429 HydrophobicContact CG-CG2 4.36Å; Y220-I527 HydrophobicContact CD1-CG2 3.45Å; Y220-I527 VanDerWaalsContact CD1-CG2 3.45Å; Y220-I527 HydrophobicContact CE1-CG2 3.56Å
221	E	97.4	Very high	95.4	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.056	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.3	-170.1	-164.7	74.5	-165.6	0	0	113.4	R214 T215 N218 I223 R224 R432	R214-E221 IonicContact NH1-OE1 3.65Å; R214-E221 PolarHBondContact NH1-OE1 3.14Å; R214-E221 IonicContact NH1-OE2 3.25Å; R214-E221 PolarHBondContact NH1-OE2 2.86Å; T215-E221 HydrophobicContact CG2-CG 4.03Å; N218-E221 HydrophobicContact CB-CB 4.09Å; N218-E221 PolarHBondContact ND2-OE2 3.2Å; N218-E221 PolarHBondContact O-N 3.26Å; E221-I223 VanDerWaalsContact C-N 3.27Å; E221-I223 PolarHBondContact O-N 3.37Å; E221-R224 WeakPolarHBondContact O-CG 3.39Å; E221-R432 IonicContact OE1-CZ 3.01Å; E221-R432 IonicContact OE1-NE 3.49Å; E221-R432 IonicContact OE1-NH2 3.06Å; E221-R432 PolarHBondContact OE1-NH2 3.5Å; E221-R432 IonicContact OE2-NE 3.69Å
222	M	97.1	Very high	95.7	Very high	80 Å²	80	33.8 Å²	33.8	39%	0.394	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.7	-179.4	-73.1	-172.9	71.4	0	0	114	Y220 Q524 A525 R528	Y220-M222 VanDerWaalsContact C-N 3.26Å; Y220-M222 PolarHBondContact O-N 3.13Å; M222-Q524 HydrophobicContact CB-CB 4.31Å; M222-Q524 HydrophobicContact CG-CB 3.77Å; M222-Q524 HydrophobicContact SD-CB 3.54Å; M222-Q524 VanDerWaalsContact SD-CB 3.54Å; M222-A525 HydrophobicContact CE-CB 4.15Å; M222-A525 HydrophobicContact SD-CB 4.07Å; M222-R528 HydrophobicContact CB-CB 4.3Å; M222-R528 WeakPolarHBondContact O-CD 3.31Å; M222-R528 PolarHBondContact O-NE 3.41Å
223	I	97.6	Very high	95.9	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-49.3	175.2	-61.5	175.2	0	0	0	110.3	Y220 E221 G225 V226 M234 T430 R528 C531 W535	Y220-I223 HydrophobicContact CD1-CD1 4.41Å; Y220-I223 WeakPolarHBondContact O-CB 3.44Å; Y220-I223 WeakPolarHBondContact O-CG1 3.31Å; Y220-I223 PolarHBondContact O-N 3.08Å; E221-I223 VanDerWaalsContact C-N 3.27Å; E221-I223 PolarHBondContact O-N 3.37Å; I223-G225 PolarHBondContact O-N 2.86Å; I223-V226 WeakPolarHBondContact O-CG2 3.26Å; I223-V226 PolarHBondContact O-N 3.34Å; I223-M234 HydrophobicContact CG2-CB 4.3Å; I223-M234 HydrophobicContact CG2-CE 3.84Å; I223-M234 HydrophobicContact CG2-CG 4.29Å; I223-T430 HydrophobicContact CD1-CG2 4.26Å; I223-T430 HydrophobicContact CG2-CG2 4.27Å; I223-R528 HydrophobicContact CG1-CB 4.33Å; I223-R528 HydrophobicContact CG1-CG 4.39Å; I223-C531 HydrophobicContact CD1-CB 3.94Å; I223-W535 HydrophobicContact CD1-CH2 3.8Å; I223-W535 HydrophobicContact CD1-CZ3 4.09Å; I223-W535 HydrophobicContact CG2-CZ3 4.12Å
224	R	95.6	Very high	96.1	Very high	148 Å²	148	27.2 Å²	27.2	56%	0.558	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	-135.6	-179.5	-56.6	-171.8	173.7	-179.5	-3	112.2	E221 R231 M234	E221-R224 WeakPolarHBondContact O-CG 3.39Å; R224-R231 HydrophobicContact CB-CG 4.49Å; R224-M234 VanDerWaalsContact O-CG 3.24Å; R224-M234 WeakPolarHBondContact O-CG 3.17Å
225	G	94.3	Very high	96.3	Very high	9 Å²	9	26.8 Å²	26.8	9%	0.093	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.2	177.2	0	0	0	0	0	114.1	I223 F227 F228	I223-G225 PolarHBondContact O-N 2.86Å; G225-F227 PolarHBondContact O-N 3.38Å; G225-F227 VanDerWaalsContact O-N 3.09Å; G225-F228 WeakPolarHBondContact O-CA 3.45Å; G225-F228 VanDerWaalsContact O-CB 3.31Å; G225-F228 WeakPolarHBondContact O-CB 3.48Å; G225-F228 PolarHBondContact O-N 2.99Å
226	V	96.3	Very high	96.4	Very high	26 Å²	26	24.7 Å²	24.7	16%	0.158	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-113.4	-173.7	-163.7	0	0	0	0	111.1	I223 M234 L532	I223-V226 WeakPolarHBondContact O-CG2 3.26Å; I223-V226 PolarHBondContact O-N 3.34Å; V226-M234 HydrophobicContact CB-SD 4.38Å; V226-M234 HydrophobicContact CG2-CE 3.99Å; V226-M234 HydrophobicContact CG2-CG 4.17Å; V226-M234 HydrophobicContact CG2-SD 3.76Å; V226-L532 HydrophobicContact CG1-CD1 4.44Å; V226-L532 HydrophobicContact CG2-CD1 4.33Å; V226-L532 HydrophobicContact CG2-CD2 3.65Å
227	F	95.3	Very high	96.5	Very high	13 Å²	13	22 Å²	22	6%	0.057	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.3	176.3	58.8	-94	0	0	0	113.7	G225 W285 S311 I537 P538 Q540 R542	G225-F227 PolarHBondContact O-N 3.38Å; G225-F227 VanDerWaalsContact O-N 3.09Å; F227-W285 AromaticContact CE2-CD1 3.88Å; F227-W285 HydrophobicContact CE2-CD2 4.23Å; F227-W285 AromaticContact CE2-CE2 3.88Å; F227-W285 HydrophobicContact CE2-CG 4.25Å; F227-W285 HydrophobicContact CE2-CZ2 4.43Å; F227-W285 AromaticContact CE2-NE1 3.61Å; F227-W285 HydrophobicContact CZ-CD2 4.23Å; F227-W285 AromaticContact CZ-CE2 3.67Å; F227-W285 HydrophobicContact CZ-CH2 4.35Å; F227-W285 AromaticContact CZ-CZ2 3.77Å; F227-W285 HydrophobicContact CZ-CZ2 3.77Å; F227-W285 AromaticContact CZ-NE1 3.81Å; F227-S311 WeakPolarHBondContact CD2-OG 3.4Å; F227-S311 PolarHBondContact O-OG 3.01Å; F227-I537 HydrophobicContact CE1-CG2 3.61Å; F227-I537 HydrophobicContact CZ-CG2 4.12Å; F227-P538 HydrophobicContact CD1-CG 4.33Å; F227-P538 WeakPolarHBondContact CD1-O 3.45Å; F227-P538 HydrophobicContact CE1-CG 3.53Å; F227-P538 VanDerWaalsContact CE1-O 3.26Å; F227-P538 WeakPolarHBondContact CE1-O 3.28Å; F227-P538 HydrophobicContact CZ-CG 3.92Å; F227-Q540 HydrophobicContact CD1-CB 4.36Å; F227-R542 WeakPolarHBondContact O-CB 3.23Å; F227-R542 VanDerWaalsContact O-CG 3.28Å; F227-R542 WeakPolarHBondContact O-CG 3.34Å
228	F	96.6	Very high	96.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.018	10%	0.102	C	C	.	.	S	Bend	trans	-80.6	167.2	177.3	-60.9	-73.4	0	0	0	112.7	G225 N230 A233 M234 E281 Y282 W285 I537 R542	G225-F228 WeakPolarHBondContact O-CA 3.45Å; G225-F228 VanDerWaalsContact O-CB 3.31Å; G225-F228 WeakPolarHBondContact O-CB 3.48Å; G225-F228 PolarHBondContact O-N 2.99Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 2.87Å; F228-A233 HydrophobicContact CB-CB 3.41Å; F228-A233 VanDerWaalsContact CB-CB 3.41Å; F228-A233 HydrophobicContact CD1-CB 3.97Å; F228-A233 HydrophobicContact CD2-CB 3.93Å; F228-A233 HydrophobicContact CG-CB 3.51Å; F228-M234 HydrophobicContact CD2-CG 4.33Å; F228-M234 HydrophobicContact CD2-SD 3.65Å; F228-M234 HydrophobicContact CE2-SD 3.7Å; F228-E281 WeakPolarHBondContact CA-OE2 3.42Å; F228-E281 HydrophobicContact CD1-CB 4.49Å; F228-E281 HydrophobicContact CD1-CG 4.01Å; F228-Y282 HydrophobicContact CZ-CD2 4.02Å; F228-W285 HydrophobicContact CE1-CB 3.92Å; F228-W285 HydrophobicContact CE1-CD2 4.15Å; F228-W285 HydrophobicContact CE1-CE3 4.3Å; F228-W285 AromaticContact CE1-CG 3.97Å; F228-W285 HydrophobicContact CE1-CG 3.97Å; F228-W285 AromaticContact CZ-CD2 3.95Å; F228-W285 HydrophobicContact CZ-CD2 3.95Å; F228-W285 AromaticContact CZ-CE3 3.81Å; F228-W285 HydrophobicContact CZ-CE3 3.81Å; F228-W285 HydrophobicContact CZ-CG 4.27Å; F228-W285 HydrophobicContact CZ-CZ3 4.32Å; F228-I537 HydrophobicContact CE2-CD1 4.47Å; F228-I537 HydrophobicContact CE2-CG2 4.37Å; F228-R542 WeakPolarHBondContact O-CD 3.3Å
229	L	92.8	Very high	96.7	Very high	23 Å²	23	21.4 Å²	21.4	12%	0.12	10%	0.1	C	C	.	.	S	Bend	trans	-65.9	-33.8	-173.3	73.8	90.1	0	0	0	114.2	P276 E281 F309 R542	L229-P276 HydrophobicContact CD1-CB 4.14Å; L229-P276 HydrophobicContact CD1-CG 3.51Å; L229-E281 WeakPolarHBondContact CB-OE2 3.03Å; L229-E281 HydrophobicContact CD2-CB 4.1Å; L229-E281 WeakPolarHBondContact CD2-OE2 3.41Å; L229-E281 VanDerWaalsContact CG-OE2 3.31Å; L229-E281 WeakPolarHBondContact CG-OE2 3.26Å; L229-E281 PolarHBondContact N-OE2 3.02Å; L229-F309 HydrophobicContact CD2-CD1 3.57Å; L229-F309 HydrophobicContact CD2-CE1 3.42Å; L229-F309 VanDerWaalsContact CD2-CE1 3.42Å; L229-F309 HydrophobicContact CD2-CZ 4.4Å; L229-R542 PolarHBondContact O-NH1 3Å
230	N	93.6	Very high	96.8	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	10%	0.096	C	C	.	.	S	Bend	trans	-152.5	175.5	177.5	65.4	17.7	0	0	0	111.3	F228 A232 A233 G278	F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 2.87Å; N230-A232 PolarHBondContact O-N 2.97Å; N230-A232 VanDerWaalsContact OD1-CB 3.31Å; N230-A232 WeakPolarHBondContact OD1-CB 3.5Å; N230-A232 PolarHBondContact OD1-N 2.99Å; N230-A232 VanDerWaalsContact OD1-N 3.1Å; N230-A233 PolarHBondContact O-N 2.94Å; N230-A233 PolarHBondContact OD1-N 2.84Å; N230-G278 WeakPolarHBondContact OD1-CA 3.45Å
231	R	94.9	Very high	96.8	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.132	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-23.4	178	-54.5	-168.5	-72.7	-99.5	-7.2	113.7	S31 D33 R224 A233 M234 K235 R432	S31-R231 VanDerWaalsContact CA-NH2 3.32Å; D33-R231 IonicContact OD1-CZ 2.69Å; D33-R231 IonicContact OD1-NH1 3.81Å; D33-R231 PolarHBondContact OD1-NH1 3.22Å; D33-R231 IonicContact OD1-NH2 3.24Å; D33-R231 IonicContact OD2-NH1 2.83Å; R224-R231 HydrophobicContact CB-CG 4.49Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.33Å; R231-M234 PolarHBondContact O-N 3.25Å; R231-M234 VanDerWaalsContact O-N 3.13Å; R231-K235 PolarHBondContact O-N 3.13Å; R231-R432 VanDerWaalsContact NH1-NH2 3.15Å; R231-R432 VanDerWaalsContact NH2-CZ 3.27Å; R231-R432 VanDerWaalsContact NH2-NH1 3.14Å
232	A	95.9	Very high	96.9	Very high	13 Å²	13	21.9 Å²	21.9	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-37.4	-178.7	0	0	0	0	0	111.4	N230 M234 K235 M236 F279	N230-A232 PolarHBondContact O-N 2.97Å; N230-A232 VanDerWaalsContact OD1-CB 3.31Å; N230-A232 WeakPolarHBondContact OD1-CB 3.5Å; N230-A232 PolarHBondContact OD1-N 2.99Å; N230-A232 VanDerWaalsContact OD1-N 3.1Å; A232-M234 PolarHBondContact O-N 3.15Å; A232-K235 WeakPolarHBondContact O-CB 3.4Å; A232-K235 PolarHBondContact O-N 2.69Å; A232-M236 PolarHBondContact O-N 3.11Å; A232-F279 HydrophobicContact CB-CD1 3.94Å; A232-F279 HydrophobicContact CB-CE1 3.82Å; A232-F279 WeakPolarHBondContact O-CD1 3.41Å; A232-F279 WeakPolarHBondContact O-CE1 3.45Å
233	A	97.6	Very high	96.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-53.6	-40.1	173.2	0	0	0	0	0	112.6	F228 N230 R231 K235 M236 A237 G278	F228-A233 HydrophobicContact CB-CB 3.41Å; F228-A233 VanDerWaalsContact CB-CB 3.41Å; F228-A233 HydrophobicContact CD1-CB 3.97Å; F228-A233 HydrophobicContact CD2-CB 3.93Å; F228-A233 HydrophobicContact CG-CB 3.51Å; N230-A233 PolarHBondContact O-N 2.94Å; N230-A233 PolarHBondContact OD1-N 2.84Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.33Å; A233-K235 VanDerWaalsContact C-N 3.32Å; A233-K235 PolarHBondContact O-N 3.46Å; A233-M236 PolarHBondContact O-N 2.94Å; A233-A237 PolarHBondContact O-N 3.44Å; A233-G278 VanDerWaalsContact CA-O 3.31Å; A233-G278 WeakPolarHBondContact CA-O 3.12Å; A233-G278 WeakPolarHBondContact CB-O 3.21Å
234	M	98.2	Very high	96.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-71.2	-24.8	177.8	-68.4	-56.4	-59.5	0	0	113.2	I223 R224 V226 F228 R231 A232 A237 N238 T430 L532 W535 I537	I223-M234 HydrophobicContact CG2-CB 4.3Å; I223-M234 HydrophobicContact CG2-CE 3.84Å; I223-M234 HydrophobicContact CG2-CG 4.29Å; R224-M234 VanDerWaalsContact O-CG 3.24Å; R224-M234 WeakPolarHBondContact O-CG 3.17Å; V226-M234 HydrophobicContact CB-SD 4.38Å; V226-M234 HydrophobicContact CG2-CE 3.99Å; V226-M234 HydrophobicContact CG2-CG 4.17Å; V226-M234 HydrophobicContact CG2-SD 3.76Å; F228-M234 HydrophobicContact CD2-CG 4.33Å; F228-M234 HydrophobicContact CD2-SD 3.65Å; F228-M234 HydrophobicContact CE2-SD 3.7Å; R231-M234 PolarHBondContact O-N 3.25Å; R231-M234 VanDerWaalsContact O-N 3.13Å; A232-M234 PolarHBondContact O-N 3.15Å; M234-A237 HydrophobicContact CE-CB 4.38Å; M234-A237 PolarHBondContact O-N 3.14Å; M234-A237 HydrophobicContact SD-CB 4.35Å; M234-N238 WeakPolarHBondContact O-CB 3.44Å; M234-N238 PolarHBondContact O-N 3Å; M234-T430 HydrophobicContact CB-CG2 4.42Å; M234-L532 HydrophobicContact CE-CD2 3.59Å; M234-W535 HydrophobicContact CE-CE3 3.77Å; M234-W535 HydrophobicContact CE-CZ3 3.83Å; M234-I537 HydrophobicContact CE-CB 4.49Å; M234-I537 HydrophobicContact CE-CG1 4.15Å; M234-I537 HydrophobicContact CE-CG2 4.18Å; M234-I537 HydrophobicContact SD-CG2 4.17Å
235	K	98.5	Very high	97	Very high	18 Å²	18	20.2 Å²	20.2	8%	0.078	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-43.8	171.3	-55.5	-177.3	-170.5	176.6	0	111.5	R231 A232 A233 N238 M239 F279 T430 E437 Y439	R231-K235 PolarHBondContact O-N 3.13Å; A232-K235 WeakPolarHBondContact O-CB 3.4Å; A232-K235 PolarHBondContact O-N 2.69Å; A233-K235 VanDerWaalsContact C-N 3.32Å; A233-K235 PolarHBondContact O-N 3.46Å; K235-N238 PolarHBondContact O-N 2.81Å; K235-M239 HydrophobicContact CB-CE 4.26Å; K235-M239 WeakPolarHBondContact O-CB 3.48Å; K235-M239 WeakPolarHBondContact O-CE 3.41Å; K235-M239 WeakPolarHBondContact O-CG 3.31Å; K235-M239 PolarHBondContact O-N 3.26Å; K235-F279 HydrophobicContact CB-CE1 4.14Å; K235-T430 WeakPolarHBondContact CA-OG1 3.01Å; K235-E437 WeakPolarHBondContact CE-OE1 3.18Å; K235-E437 IonicContact NZ-OE1 3.8Å; K235-E437 PolarHBondContact NZ-OE1 2.89Å; K235-E437 IonicContact NZ-OE2 2.76Å; K235-E437 PolarHBondContact NZ-OE2 3.21Å; K235-Y439 HydrophobicContact CD-CE2 4.25Å; K235-Y439 WeakPolarHBondContact CD-OH 3.31Å; K235-Y439 PolarHBondContact NZ-OH 3.5Å
236	M	98.6	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-36.2	173.4	-79.7	-55.4	-52	0	0	112.4	A232 A233 N238 M239 D240 F247 F279 Y282 M358 V398	A232-M236 PolarHBondContact O-N 3.11Å; A233-M236 PolarHBondContact O-N 2.94Å; M236-N238 VanDerWaalsContact C-N 3.33Å; M236-N238 PolarHBondContact O-N 3.22Å; M236-M239 PolarHBondContact O-N 2.74Å; M236-M239 HydrophobicContact SD-CE 3.71Å; M236-D240 WeakPolarHBondContact O-CB 3.36Å; M236-D240 PolarHBondContact O-N 3.17Å; M236-F247 HydrophobicContact CE-CD2 3.9Å; M236-F247 HydrophobicContact CE-CE2 4.21Å; M236-F247 HydrophobicContact CE-CG 4.11Å; M236-F279 HydrophobicContact CB-CD1 4.14Å; M236-F279 HydrophobicContact CB-CE1 4.48Å; M236-F279 HydrophobicContact CB-CG 4.36Å; M236-F279 HydrophobicContact CG-CB 3.78Å; M236-F279 HydrophobicContact CG-CD1 3.32Å; M236-F279 HydrophobicContact CG-CD2 3.51Å; M236-F279 HydrophobicContact CG-CE1 3.62Å; M236-F279 HydrophobicContact CG-CE2 3.77Å; M236-F279 HydrophobicContact CG-CG 3.24Å; M236-F279 HydrophobicContact CG-CZ 3.81Å; M236-F279 HydrophobicContact SD-CD2 3.93Å; M236-F279 HydrophobicContact SD-CE2 3.83Å; M236-F279 HydrophobicContact SD-CG 4.28Å; M236-F279 HydrophobicContact SD-CZ 4.15Å; M236-Y282 HydrophobicContact CB-CD1 3.76Å; M236-Y282 HydrophobicContact CB-CE1 4.45Å; M236-Y282 HydrophobicContact CB-CG 4.3Å; M236-M358 HydrophobicContact CE-CG 4.06Å; M236-M358 HydrophobicContact CE-SD 3.56Å; M236-M358 VanDerWaalsContact CE-SD 3.56Å; M236-M358 HydrophobicContact CG-SD 3.88Å; M236-M358 HydrophobicContact SD-CG 4.2Å; M236-M358 HydrophobicContact SD-SD 3.83Å; M236-V398 HydrophobicContact CE-CG1 4.17Å; M236-V398 HydrophobicContact SD-CG1 3.96Å
237	A	98.6	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-45	173.6	0	0	0	0	0	112.2	A233 M234 H241 Y282 I537	A233-A237 PolarHBondContact O-N 3.44Å; M234-A237 HydrophobicContact CE-CB 4.38Å; M234-A237 PolarHBondContact O-N 3.14Å; M234-A237 HydrophobicContact SD-CB 4.35Å; A237-H241 PolarHBondContact O-N 3.2Å; A237-Y282 HydrophobicContact CB-CD2 3.64Å; A237-Y282 HydrophobicContact CB-CE2 3.51Å; A237-Y282 HydrophobicContact CB-CG 4.34Å; A237-I537 HydrophobicContact CB-CD1 3.94Å; A237-I537 HydrophobicContact CB-CG1 4.23Å
238	N	98.8	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-54.3	176.4	-179.8	177.8	0	0	0	111.1	E149 M234 K235 M236 H241 V242 P428 T430 W535	E149-N238 PolarHBondContact OE1-ND2 3.14Å; M234-N238 WeakPolarHBondContact O-CB 3.44Å; M234-N238 PolarHBondContact O-N 3Å; K235-N238 PolarHBondContact O-N 2.81Å; M236-N238 VanDerWaalsContact C-N 3.33Å; M236-N238 PolarHBondContact O-N 3.22Å; N238-H241 PolarHBondContact O-N 2.89Å; N238-V242 VanDerWaalsContact O-CG2 3.32Å; N238-V242 WeakPolarHBondContact O-CG2 3.21Å; N238-V242 PolarHBondContact O-N 2.68Å; N238-P428 VanDerWaalsContact OD1-CB 3.3Å; N238-P428 WeakPolarHBondContact OD1-CB 3.47Å; N238-T430 HydrophobicContact CB-CG2 3.99Å; N238-T430 WeakPolarHBondContact OD1-CG2 3.41Å; N238-T430 PolarHBondContact OD1-N 3.43Å; N238-T430 PolarHBondContact OD1-OG1 3.43Å; N238-W535 HydrophobicContact CB-CD2 4.25Å; N238-W535 HydrophobicContact CB-CE3 4.26Å; N238-W535 HydrophobicContact CB-CH2 3.83Å; N238-W535 HydrophobicContact CB-CZ2 3.8Å; N238-W535 HydrophobicContact CB-CZ3 4.05Å; N238-W535 WeakPolarHBondContact ND2-CZ2 3.42Å
239	M	98.8	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-40.4	-178.3	-71.1	-173.8	-71.1	0	0	112.1	K235 M236 H241 V242 F243 F279 V398 F426 P428 Y439 I441	K235-M239 HydrophobicContact CB-CE 4.26Å; K235-M239 WeakPolarHBondContact O-CB 3.48Å; K235-M239 WeakPolarHBondContact O-CE 3.41Å; K235-M239 WeakPolarHBondContact O-CG 3.31Å; K235-M239 PolarHBondContact O-N 3.26Å; M236-M239 PolarHBondContact O-N 2.74Å; M236-M239 HydrophobicContact SD-CE 3.71Å; M239-H241 VanDerWaalsContact C-N 3.27Å; M239-H241 PolarHBondContact O-N 3.01Å; M239-V242 PolarHBondContact O-N 3Å; M239-F243 HydrophobicContact CB-CD2 4.14Å; M239-F243 HydrophobicContact CB-CE2 4.33Å; M239-F243 HydrophobicContact CG-CE2 4.46Å; M239-F243 WeakPolarHBondContact O-CB 3.5Å; M239-F243 WeakPolarHBondContact O-CD2 3.36Å; M239-F243 PolarHBondContact O-N 3.42Å; M239-F279 HydrophobicContact CE-CZ 4.39Å; M239-V398 HydrophobicContact CE-CG2 4.05Å; M239-V398 HydrophobicContact SD-CG2 4.1Å; M239-F426 HydrophobicContact CG-CD1 4.17Å; M239-F426 HydrophobicContact CG-CE1 4.13Å; M239-P428 HydrophobicContact CG-CB 4.1Å; M239-P428 HydrophobicContact CG-CG 4.15Å; M239-P428 HydrophobicContact SD-CG 4.21Å; M239-Y439 HydrophobicContact CE-CD1 3.85Å; M239-Y439 HydrophobicContact CE-CD2 4.2Å; M239-Y439 HydrophobicContact CE-CE1 3.93Å; M239-Y439 HydrophobicContact CE-CE2 4.28Å; M239-Y439 HydrophobicContact CE-CG 4Å; M239-Y439 HydrophobicContact SD-CD1 4.05Å; M239-Y439 HydrophobicContact SD-CD2 3.89Å; M239-Y439 HydrophobicContact SD-CE2 4.5Å; M239-Y439 HydrophobicContact SD-CG 3.65Å; M239-I441 HydrophobicContact SD-CD1 3.98Å
240	D	98.8	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-36	177.9	-171.5	49.5	0	0	0	111.6	M236 Y245 F247 T248 Y282	M236-D240 WeakPolarHBondContact O-CB 3.36Å; M236-D240 PolarHBondContact O-N 3.17Å; D240-Y245 WeakPolarHBondContact O-CA 3.49Å; D240-Y245 PolarHBondContact O-N 3.42Å; D240-Y245 WeakPolarHBondContact OD1-CA 3.45Å; D240-F247 HydrophobicContact CB-CD2 4.16Å; D240-F247 WeakPolarHBondContact OD1-CB 3.34Å; D240-F247 PolarHBondContact OD1-N 2.83Å; D240-T248 PolarHBondContact OD1-N 3.32Å; D240-T248 VanDerWaalsContact OD1-N 3.1Å; D240-T248 PolarHBondContact OD1-OG1 3.5Å; D240-T248 WeakPolarHBondContact OD2-CB 3.19Å; D240-T248 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T248 PolarHBondContact OD2-OG1 3.11Å; D240-Y282 HydrophobicContact CB-CE1 3.75Å; D240-Y282 WeakPolarHBondContact OD2-CE1 3.45Å; D240-Y282 PolarHBondContact OD2-OH 2.91Å
241	H	98.4	Very high	97.4	Very high	45 Å²	45	23.6 Å²	23.6	21%	0.208	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-51.4	170.4	177.1	82.4	0	0	0	112.5	A237 N238 M239 F243 D244 Y245 L534 W535	A237-H241 PolarHBondContact O-N 3.2Å; N238-H241 PolarHBondContact O-N 2.89Å; M239-H241 VanDerWaalsContact C-N 3.27Å; M239-H241 PolarHBondContact O-N 3.01Å; H241-F243 PolarHBondContact O-N 3.39Å; H241-D244 PolarHBondContact O-N 2.96Å; H241-D244 VanDerWaalsContact O-N 3.11Å; H241-Y245 AromaticContact ND1-CZ 3.75Å; H241-Y245 PolarHBondContact ND1-OH 3.07Å; H241-Y245 VanDerWaalsContact ND1-OH 3.1Å; H241-L534 PolarHBondContact CE1-O 2.85Å; H241-L534 PolarHBondContact ND1-O 3.21Å; H241-L534 WeakPolarHBondContact NE2-CD1 3.43Å; H241-L534 WeakPolarHBondContact NE2-CG 3.48Å; H241-W535 HydrophobicContact CB-CB 4.28Å; H241-W535 HydrophobicContact CB-CG 4.15Å; H241-W535 AromaticContact CD2-CD1 3.5Å; H241-W535 AromaticContact CG-CD1 3.53Å
242	V	98.6	Very high	97	Very high	27 Å²	27	24 Å²	24	16%	0.164	12%	0.119	C	C	.	.	H	α-helix	trans	-56.8	-34.5	-178.1	167.8	0	0	0	0	112	E149 V151 N238 M239 D244 F426	E149-V242 HydrophobicContact CB-CG2 4.21Å; V151-V242 HydrophobicContact CG2-CG1 3.27Å; N238-V242 VanDerWaalsContact O-CG2 3.32Å; N238-V242 WeakPolarHBondContact O-CG2 3.21Å; N238-V242 PolarHBondContact O-N 2.68Å; M239-V242 PolarHBondContact O-N 3Å; V242-D244 PolarHBondContact O-N 3.24Å; V242-F426 HydrophobicContact CB-CZ 4.43Å; V242-F426 HydrophobicContact CG1-CE1 4.15Å; V242-F426 HydrophobicContact CG1-CE2 4.18Å; V242-F426 HydrophobicContact CG1-CZ 3.78Å; V242-F426 HydrophobicContact CG2-CZ 4.18Å
243	F	98.1	Very high	96.2	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.031	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	35.3	179.6	-64.3	-71.1	0	0	0	113.4	V151 W153 M239 H241 Y245 M246 F247 C424 F426 I441	V151-F243 HydrophobicContact CG1-CE1 3.61Å; V151-F243 HydrophobicContact CG1-CZ 4.13Å; V151-F243 HydrophobicContact CG2-CE1 4.15Å; V151-F243 HydrophobicContact CG2-CZ 4.31Å; W153-F243 HydrophobicContact CH2-CD1 4.17Å; W153-F243 HydrophobicContact CH2-CE1 4.17Å; W153-F243 AromaticContact CZ2-CD1 3.64Å; W153-F243 HydrophobicContact CZ2-CD1 3.64Å; W153-F243 AromaticContact CZ2-CE1 3.7Å; W153-F243 HydrophobicContact CZ2-CE1 3.7Å; M239-F243 HydrophobicContact CB-CD2 4.14Å; M239-F243 HydrophobicContact CB-CE2 4.33Å; M239-F243 HydrophobicContact CG-CE2 4.46Å; M239-F243 WeakPolarHBondContact O-CB 3.5Å; M239-F243 WeakPolarHBondContact O-CD2 3.36Å; M239-F243 PolarHBondContact O-N 3.42Å; H241-F243 PolarHBondContact O-N 3.39Å; F243-Y245 VanDerWaalsContact C-N 3.26Å; F243-Y245 PolarHBondContact O-N 2.97Å; F243-M246 HydrophobicContact CB-CE 3.85Å; F243-M246 HydrophobicContact CB-CG 3.87Å; F243-M246 HydrophobicContact CB-SD 3.94Å; F243-M246 HydrophobicContact CD1-CE 4.33Å; F243-M246 HydrophobicContact CG-CE 4.02Å; F243-M246 VanDerWaalsContact O-CB 3.27Å; F243-M246 WeakPolarHBondContact O-CB 3.32Å; F243-M246 WeakPolarHBondContact O-CG 3.16Å; F243-M246 PolarHBondContact O-N 3.26Å; F243-F247 HydrophobicContact CB-CE2 4.37Å; F243-F247 HydrophobicContact CD2-CE2 4.34Å; F243-C424 VanDerWaalsContact CE1-SG 3.56Å; F243-F426 HydrophobicContact CE2-CB 4.48Å; F243-F426 AromaticContact CE2-CD1 3.82Å; F243-F426 HydrophobicContact CE2-CD1 3.82Å; F243-F426 HydrophobicContact CE2-CE1 4.29Å; F243-F426 HydrophobicContact CE2-CG 4.18Å; F243-F426 HydrophobicContact CZ-CB 4Å; F243-F426 HydrophobicContact CZ-CD1 4.05Å; F243-F426 HydrophobicContact CZ-CD2 4.47Å; F243-F426 AromaticContact CZ-CG 3.92Å; F243-F426 HydrophobicContact CZ-CG 3.92Å; F243-I441 HydrophobicContact CD1-CG2 4.12Å; F243-I441 HydrophobicContact CD2-CD1 4.46Å; F243-I441 HydrophobicContact CD2-CG2 4.25Å; F243-I441 HydrophobicContact CE1-CB 4.36Å; F243-I441 HydrophobicContact CE1-CG1 4.34Å; F243-I441 HydrophobicContact CE1-CG2 3.91Å; F243-I441 HydrophobicContact CE2-CB 4.42Å; F243-I441 HydrophobicContact CE2-CD1 3.88Å; F243-I441 HydrophobicContact CE2-CG1 3.67Å; F243-I441 HydrophobicContact CE2-CG2 4.12Å; F243-I441 HydrophobicContact CG-CG2 4.3Å; F243-I441 HydrophobicContact CZ-CB 4.09Å; F243-I441 HydrophobicContact CZ-CD1 4.32Å; F243-I441 HydrophobicContact CZ-CG1 3.59Å; F243-I441 HydrophobicContact CZ-CG2 3.96Å
244	D	96.9	Very high	95.6	Very high	116 Å²	116	38.8 Å²	38.8	62%	0.62	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	36.1	172.3	-65.6	-49.3	0	0	0	114.9	H241 V242 M246	H241-D244 PolarHBondContact O-N 2.96Å; H241-D244 VanDerWaalsContact O-N 3.11Å; V242-D244 PolarHBondContact O-N 3.24Å; D244-M246 PolarHBondContact O-N 3.21Å
245	Y	97.8	Very high	95	Very high	73 Å²	73	40.9 Å²	40.9	29%	0.286	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30	-175.7	-55.4	-80.7	0	0	0	113.4	D240 H241 F243 F247 T248 N249	D240-Y245 WeakPolarHBondContact O-CA 3.49Å; D240-Y245 PolarHBondContact O-N 3.42Å; D240-Y245 WeakPolarHBondContact OD1-CA 3.45Å; H241-Y245 AromaticContact ND1-CZ 3.75Å; H241-Y245 PolarHBondContact ND1-OH 3.07Å; H241-Y245 VanDerWaalsContact ND1-OH 3.1Å; F243-Y245 VanDerWaalsContact C-N 3.26Å; F243-Y245 PolarHBondContact O-N 2.97Å; Y245-F247 PolarHBondContact O-N 3.39Å; Y245-F247 VanDerWaalsContact O-N 3.16Å; Y245-T248 PolarHBondContact O-N 2.84Å; Y245-N249 CarbonylContact O-C 3.54Å; Y245-N249 VanDerWaalsContact O-C 3.28Å; Y245-N249 VanDerWaalsContact O-CA 3.29Å; Y245-N249 WeakPolarHBondContact O-CA 3.47Å; Y245-N249 WeakPolarHBondContact O-CB 3.35Å; Y245-N249 PolarHBondContact O-N 2.83Å
246	M	97.4	Very high	94.6	Very high	9 Å²	9	47 Å²	47	4%	0.044	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.7	-176.9	72.2	176.2	-172	0	0	113.1	F243 D244 P250 H396 I441 K443	F243-M246 HydrophobicContact CB-CE 3.85Å; F243-M246 HydrophobicContact CB-CG 3.87Å; F243-M246 HydrophobicContact CB-SD 3.94Å; F243-M246 HydrophobicContact CD1-CE 4.33Å; F243-M246 HydrophobicContact CG-CE 4.02Å; F243-M246 VanDerWaalsContact O-CB 3.27Å; F243-M246 WeakPolarHBondContact O-CB 3.32Å; F243-M246 WeakPolarHBondContact O-CG 3.16Å; F243-M246 PolarHBondContact O-N 3.26Å; D244-M246 PolarHBondContact O-N 3.21Å; M246-P250 VanDerWaalsContact O-CA 3.28Å; M246-P250 WeakPolarHBondContact O-CA 3.5Å; M246-P250 WeakPolarHBondContact O-CB 3.41Å; M246-H396 PolarHBondContact O-CD2 3.17Å; M246-H396 VanDerWaalsContact O-CD2 3.25Å; M246-I441 HydrophobicContact CE-CG2 3.34Å; M246-K443 HydrophobicContact SD-CB 4.36Å; M246-K443 HydrophobicContact SD-CD 4.1Å; M246-K443 HydrophobicContact SD-CG 4.18Å
247	F	98.3	Very high	94.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-52.2	177	-52.5	-75	0	0	0	111.1	M236 D240 F243 Y245 F356 H396 V398 I441	M236-F247 HydrophobicContact CE-CD2 3.9Å; M236-F247 HydrophobicContact CE-CE2 4.21Å; M236-F247 HydrophobicContact CE-CG 4.11Å; D240-F247 HydrophobicContact CB-CD2 4.16Å; D240-F247 WeakPolarHBondContact OD1-CB 3.34Å; D240-F247 PolarHBondContact OD1-N 2.83Å; F243-F247 HydrophobicContact CB-CE2 4.37Å; F243-F247 HydrophobicContact CD2-CE2 4.34Å; Y245-F247 PolarHBondContact O-N 3.39Å; Y245-F247 VanDerWaalsContact O-N 3.16Å; F247-F356 HydrophobicContact CB-CD1 4.27Å; F247-F356 HydrophobicContact CB-CD2 4.05Å; F247-F356 HydrophobicContact CB-CE1 4.19Å; F247-F356 HydrophobicContact CB-CE2 3.94Å; F247-F356 HydrophobicContact CB-CG 4.21Å; F247-F356 HydrophobicContact CB-CZ 4.01Å; F247-F356 HydrophobicContact CD1-CB 4.05Å; F247-F356 AromaticContact CD1-CD2 3.76Å; F247-F356 HydrophobicContact CD1-CD2 3.76Å; F247-F356 HydrophobicContact CD1-CE2 4.4Å; F247-F356 AromaticContact CD1-CG 3.93Å; F247-F356 HydrophobicContact CD1-CG 3.93Å; F247-F356 HydrophobicContact CG-CD2 4.32Å; F247-F356 VanDerWaalsContact O-CD1 3.31Å; F247-F356 WeakPolarHBondContact O-CD1 3.12Å; F247-F356 WeakPolarHBondContact O-CE1 3.19Å; F247-H396 HydrophobicContact CD1-CB 4.39Å; F247-H396 HydrophobicContact CE1-CB 4.27Å; F247-V398 HydrophobicContact CD1-CG1 4.43Å; F247-V398 HydrophobicContact CE1-CB 4.01Å; F247-V398 HydrophobicContact CE1-CG1 3.72Å; F247-V398 HydrophobicContact CZ-CB 3.87Å; F247-V398 HydrophobicContact CZ-CG1 3.88Å; F247-I441 HydrophobicContact CZ-CG2 4.4Å
248	T	97.7	Very high	93.6	Very high	5 Å²	5	53 Å²	53	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.5	-176.2	62.1	0	0	0	0	114.1	D240 Y245 Y282 R286 R287	D240-T248 PolarHBondContact OD1-N 3.32Å; D240-T248 VanDerWaalsContact OD1-N 3.1Å; D240-T248 PolarHBondContact OD1-OG1 3.5Å; D240-T248 WeakPolarHBondContact OD2-CB 3.19Å; D240-T248 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T248 PolarHBondContact OD2-OG1 3.11Å; Y245-T248 PolarHBondContact O-N 2.84Å; T248-Y282 HydrophobicContact CG2-CE1 3.91Å; T248-R286 HydrophobicContact CG2-CB 4.25Å; T248-R286 HydrophobicContact CG2-CG 4.02Å; T248-R287 HydrophobicContact CG2-CG 4.32Å; T248-R287 WeakPolarHBondContact O-CD 3.45Å; T248-R287 VanDerWaalsContact O-CZ 3.25Å; T248-R287 PolarHBondContact O-NE 3.43Å; T248-R287 PolarHBondContact O-NH1 3.31Å
249	N	96.4	Very high	93	Very high	46 Å²	46	53.3 Å²	53.3	25%	0.246	27%	0.271	C	S	.	.	S	Bend	trans	-142.3	64.6	177.4	-171.4	37.1	0	0	0	111.4	Y245	Y245-N249 CarbonylContact O-C 3.54Å; Y245-N249 VanDerWaalsContact O-C 3.28Å; Y245-N249 VanDerWaalsContact O-CA 3.29Å; Y245-N249 WeakPolarHBondContact O-CA 3.47Å; Y245-N249 WeakPolarHBondContact O-CB 3.35Å; Y245-N249 PolarHBondContact O-N 2.83Å
250	P	95.2	Very high	92.2	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.019	30%	0.298	C	S	.	.			trans	-62.9	142.6	-177.5	28.4	-35.8	0	0	0	111	M246 L258 I259 L267 H355	M246-P250 VanDerWaalsContact O-CA 3.28Å; M246-P250 WeakPolarHBondContact O-CA 3.5Å; M246-P250 WeakPolarHBondContact O-CB 3.41Å; P250-L258 HydrophobicContact CB-CD1 4Å; P250-L258 HydrophobicContact CG-CB 4.48Å; P250-L258 HydrophobicContact CG-CD1 4.27Å; P250-L258 PolarHBondContact O-N 3.36Å; P250-I259 HydrophobicContact CG-CD1 4.25Å; P250-L267 HydrophobicContact CG-CD1 3.84Å; P250-H355 HydrophobicContact CG-CB 4.36Å
251	K	92.3	Very high	91	Very high	98 Å²	98	65.3 Å²	65.3	43%	0.426	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-117.8	151	-175.2	-66.1	169.6	-176.5	165.8	0	111.2	G255 R256	K251-G255 WeakPolarHBondContact CD-O 3.37Å; K251-R256 CarbonylContact C-O 3.58Å; K251-R256 VanDerWaalsContact CA-O 3.25Å; K251-R256 WeakPolarHBondContact CA-O 3.31Å
252	D	86.2	Confident	89.8	Confident	44 Å²	44	71.3 Å²	71.3	24%	0.235	35%	0.346	C	S	.	.			trans	-73.4	177.1	168.7	72.6	8.2	0	0	0	111.9	H254 G255 R256 L258	D252-H254 PolarHBondContact O-N 2.98Å; D252-H254 VanDerWaalsContact O-N 3.09Å; D252-H254 VanDerWaalsContact OD1-C 3.29Å; D252-H254 VanDerWaalsContact OD1-CA 3.3Å; D252-H254 WeakPolarHBondContact OD1-CA 3.36Å; D252-H254 WeakPolarHBondContact OD1-CB 3.25Å; D252-H254 PolarHBondContact OD1-N 2.82Å; D252-G255 PolarHBondContact O-N 2.83Å; D252-G255 PolarHBondContact OD1-N 3.32Å; D252-G255 VanDerWaalsContact OD1-N 3.09Å; D252-R256 PolarHBondContact N-O 2.81Å; D252-R256 WeakPolarHBondContact OD1-CB 3.44Å; D252-R256 PolarHBondContact OD1-N 3.2Å; D252-R256 IonicContact OD1-NE 2.76Å; D252-R256 IonicContact OD2-CZ 2.69Å; D252-R256 VanDerWaalsContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NE 2.72Å; D252-R256 PolarHBondContact OD2-NE 3.1Å; D252-R256 IonicContact OD2-NH2 3.92Å; D252-R256 PolarHBondContact OD2-NH2 2.8Å; D252-L258 HydrophobicContact CB-CD2 3.81Å
253	L	78.9	Confident	88.8	Confident	174 Å²	174	73.3 Å²	73.3	91%	0.911	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.3	177.6	-64.6	171.7	0	0	0	113.7
254	H	85.1	Confident	87.8	Confident	149 Å²	149	75.9 Å²	75.9	69%	0.69	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	8.2	176.4	-54.4	-64.2	0	0	0	112.5	D252 R256	D252-H254 PolarHBondContact O-N 2.98Å; D252-H254 VanDerWaalsContact O-N 3.09Å; D252-H254 VanDerWaalsContact OD1-C 3.29Å; D252-H254 VanDerWaalsContact OD1-CA 3.3Å; D252-H254 WeakPolarHBondContact OD1-CA 3.36Å; D252-H254 WeakPolarHBondContact OD1-CB 3.25Å; D252-H254 PolarHBondContact OD1-N 2.82Å; H254-R256 VanDerWaalsContact C-N 3.28Å; H254-R256 HydrophobicContact CB-CG 4.38Å; H254-R256 PolarHBondContact O-N 2.82Å
255	G	86.4	Confident	87.3	Confident	44 Å²	44	73.6 Å²	73.6	45%	0.454	36%	0.364	S	S	.	.	S	Bend	trans	75.8	9.9	-179.8	0	0	0	0	0	114.5	K251 D252	K251-G255 WeakPolarHBondContact CD-O 3.37Å; D252-G255 PolarHBondContact O-N 2.83Å; D252-G255 PolarHBondContact OD1-N 3.32Å; D252-G255 VanDerWaalsContact OD1-N 3.09Å
256	R	88.7	Confident	87.2	Confident	146 Å²	146	70.1 Å²	70.1	55%	0.551	35%	0.35	S	S	*	.			trans	-85.4	136.4	179.6	-57.1	177.5	-61.3	-169.1	0.7	109.8	K251 D252 H254 L258	K251-R256 CarbonylContact C-O 3.58Å; K251-R256 VanDerWaalsContact CA-O 3.25Å; K251-R256 WeakPolarHBondContact CA-O 3.31Å; D252-R256 PolarHBondContact N-O 2.81Å; D252-R256 WeakPolarHBondContact OD1-CB 3.44Å; D252-R256 PolarHBondContact OD1-N 3.2Å; D252-R256 IonicContact OD1-NE 2.76Å; D252-R256 IonicContact OD2-CZ 2.69Å; D252-R256 VanDerWaalsContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NE 2.72Å; D252-R256 PolarHBondContact OD2-NE 3.1Å; D252-R256 IonicContact OD2-NH2 3.92Å; D252-R256 PolarHBondContact OD2-NH2 2.8Å; H254-R256 VanDerWaalsContact C-N 3.28Å; H254-R256 HydrophobicContact CB-CG 4.38Å; H254-R256 PolarHBondContact O-N 2.82Å; R256-L258 PolarHBondContact O-N 3.11Å
257	P	90.2	Very high	87.2	Confident	59 Å²	59	69.7 Å²	69.7	38%	0.383	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-55.5	130.5	175.1	-26.1	34.8	0	0	0	111.6	I259	P257-I259 PolarHBondContact O-N 3.11Å
258	L	86.5	Confident	87.2	Confident	69 Å²	69	69.9 Å²	69.9	36%	0.361	35%	0.349	S	S	.	.	S	Bend	trans	-65.8	-31	175.3	-67.7	179.3	0	0	0	111.5	P250 D252 R256	P250-L258 HydrophobicContact CB-CD1 4Å; P250-L258 HydrophobicContact CG-CB 4.48Å; P250-L258 HydrophobicContact CG-CD1 4.27Å; P250-L258 PolarHBondContact O-N 3.36Å; D252-L258 HydrophobicContact CB-CD2 3.81Å; R256-L258 PolarHBondContact O-N 3.11Å
259	I	86.3	Confident	87.3	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	35%	0.347	C	S	.	.			trans	-122.1	121	-174.3	-57.6	151.4	0	0	0	109.3	P250 P257 E265 L267	P250-I259 HydrophobicContact CG-CD1 4.25Å; P257-I259 PolarHBondContact O-N 3.11Å; I259-E265 HydrophobicContact CG1-CG 4.44Å; I259-E265 WeakPolarHBondContact CG2-O 3.46Å; I259-L267 VanDerWaalsContact CD1-CA 3.45Å; I259-L267 HydrophobicContact CD1-CB 3.63Å; I259-L267 HydrophobicContact CD1-CD1 3.36Å; I259-L267 HydrophobicContact CD1-CG 4.09Å
260	K	81.4	Confident	87.4	Confident	128 Å²	128	67.5 Å²	67.5	56%	0.557	34%	0.335	S	S	*	.			trans	-99.4	143.8	169	-49.4	177.5	-171	160.4	0	109.5	R262 D263 K681	K260-R262 PolarHBondContact O-N 3.26Å; K260-D263 HydrophobicContact CB-CB 4.24Å; K260-D263 WeakPolarHBondContact CB-OD2 3.46Å; K260-D263 WeakPolarHBondContact CD-OD2 3.14Å; K260-D263 WeakPolarHBondContact CG-OD2 3.35Å; K260-D263 PolarHBondContact O-N 2.77Å; K260-D263 VanDerWaalsContact O-N 3.07Å; K260-K681 PolarHBondContact O-NZ 3.21Å
261	E	74.1	Confident	87.6	Confident	123 Å²	123	67.3 Å²	67.3	58%	0.575	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-37.4	-176.7	-66.7	-176.9	164.7	0	0	112.7	D263 K681	E261-D263 VanDerWaalsContact C-N 3.34Å; E261-K681 PolarHBondContact O-NZ 2.67Å
262	R	73.1	Confident	87.8	Confident	172 Å²	172	62.7 Å²	62.7	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-15	179.9	-61.4	-174.1	-177.6	-175.1	1.3	114.2	K260 Q674	K260-R262 PolarHBondContact O-N 3.26Å; R262-Q674 PolarHBondContact O-NE2 2.82Å
263	D	78.5	Confident	88.3	Confident	69 Å²	69	61.2 Å²	61.2	37%	0.369	31%	0.307	S	S	.	.	S	Bend	trans	-79.9	155.9	179.8	-66.1	-5.8	0	0	0	110	K260 E261 E265 K681	K260-D263 HydrophobicContact CB-CB 4.24Å; K260-D263 WeakPolarHBondContact CB-OD2 3.46Å; K260-D263 WeakPolarHBondContact CD-OD2 3.14Å; K260-D263 WeakPolarHBondContact CG-OD2 3.35Å; K260-D263 PolarHBondContact O-N 2.77Å; K260-D263 VanDerWaalsContact O-N 3.07Å; E261-D263 VanDerWaalsContact C-N 3.34Å; D263-E265 PolarHBondContact O-N 3.4Å; D263-K681 WeakPolarHBondContact O-CD 3.27Å; D263-K681 WeakPolarHBondContact O-CE 3.09Å; D263-K681 PolarHBondContact O-NZ 2.97Å
264	A	76.8	Confident	88.6	Confident	60 Å²	60	53.3 Å²	53.3	50%	0.496	27%	0.267	S	S	.	.	S	Bend	trans	-68.7	-10.9	179.9	0	0	0	0	0	113.8
265	E	86.5	Confident	88.9	Confident	69 Å²	69	46.9 Å²	46.9	32%	0.322	24%	0.242	S	C	.	.			trans	-79.2	139.5	-176	-168.7	162.4	-165.6	0	0	112.5	I259 D263 H355 R392 K681	I259-E265 HydrophobicContact CG1-CG 4.44Å; I259-E265 WeakPolarHBondContact CG2-O 3.46Å; D263-E265 PolarHBondContact O-N 3.4Å; E265-H355 IonicContact OE1-NE2 3.75Å; E265-R392 IonicContact OE1-NH1 3.14Å; E265-R392 PolarHBondContact OE1-NH1 2.76Å; E265-K681 WeakPolarHBondContact O-CE 3.4Å; E265-K681 PolarHBondContact O-NZ 3.44Å
266	L	95.3	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.			trans	-99.9	150.2	176.2	-70.8	171.7	0	0	0	110.9	Y268 K292 H355 K681 K684 A685	L266-Y268 HydrophobicContact CB-CE1 4.28Å; L266-Y268 HydrophobicContact CB-CE2 4.06Å; L266-Y268 HydrophobicContact CD1-CE1 4.28Å; L266-Y268 WeakPolarHBondContact O-CD2 3.48Å; L266-Y268 PolarHBondContact O-N 2.81Å; L266-K292 HydrophobicContact CD1-CB 4.24Å; L266-H355 PolarHBondContact O-CE1 3.5Å; L266-K681 HydrophobicContact CD2-CD 4.36Å; L266-K681 HydrophobicContact CD2-CG 3.62Å; L266-K681 HydrophobicContact CG-CG 4.15Å; L266-K684 HydrophobicContact CD1-CB 3.8Å; L266-K684 HydrophobicContact CD1-CD 4.13Å; L266-K684 HydrophobicContact CD1-CG 3.86Å; L266-A685 HydrophobicContact CD1-CB 3.91Å; L266-A685 HydrophobicContact CD2-CB 3.88Å
267	L	97.7	Very high	89.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	102.1	161.8	-175.8	69	0	0	0	109.7	P250 I259 V283 R287 H290 A291 K292 H355 F356	P250-L267 HydrophobicContact CG-CD1 3.84Å; I259-L267 VanDerWaalsContact CD1-CA 3.45Å; I259-L267 HydrophobicContact CD1-CB 3.63Å; I259-L267 HydrophobicContact CD1-CD1 3.36Å; I259-L267 HydrophobicContact CD1-CG 4.09Å; L267-V283 HydrophobicContact CD2-CG1 4.42Å; L267-R287 HydrophobicContact CD2-CB 4.45Å; L267-R287 HydrophobicContact CD2-CG 3.71Å; L267-H290 PolarHBondContact N-O 2.93Å; L267-A291 HydrophobicContact CB-CB 4.06Å; L267-A291 HydrophobicContact CD2-CB 4.42Å; L267-A291 CarbonylContact O-C 3.53Å; L267-A291 WeakPolarHBondContact O-CA 3.34Å; L267-A291 WeakPolarHBondContact O-CB 3.42Å; L267-K292 PolarHBondContact O-N 3.37Å; L267-H355 HydrophobicContact CD1-CB 3.95Å; L267-F356 HydrophobicContact CD1-CD1 4.44Å; L267-F356 HydrophobicContact CD1-CE1 4.02Å; L267-F356 HydrophobicContact CD2-CE1 4.02Å; L267-F356 HydrophobicContact CG-CE1 4.11Å
268	Y	98.4	Very high	89.9	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.7	168.8	-64.1	-70.5	0	0	0	112	L266 K292 F294 T349 H355 K684	L266-Y268 HydrophobicContact CB-CE1 4.28Å; L266-Y268 HydrophobicContact CB-CE2 4.06Å; L266-Y268 HydrophobicContact CD1-CE1 4.28Å; L266-Y268 WeakPolarHBondContact O-CD2 3.48Å; L266-Y268 PolarHBondContact O-N 2.81Å; Y268-K292 WeakPolarHBondContact CA-O 3.32Å; Y268-K292 HydrophobicContact CD1-CB 3.82Å; Y268-K292 HydrophobicContact CD1-CG 4.04Å; Y268-K292 HydrophobicContact CE1-CB 3.84Å; Y268-K292 HydrophobicContact CE1-CG 3.98Å; Y268-F294 AromaticContact CD1-CE2 3.73Å; Y268-F294 HydrophobicContact CD1-CE2 3.73Å; Y268-F294 AromaticContact CD1-CZ 3.94Å; Y268-F294 HydrophobicContact CD1-CZ 3.94Å; Y268-F294 HydrophobicContact CE1-CE2 4.47Å; Y268-F294 HydrophobicContact CE1-CZ 4.25Å; Y268-T349 HydrophobicContact CD1-CG2 3.81Å; Y268-T349 HydrophobicContact CD2-CG2 4.23Å; Y268-T349 HydrophobicContact CE1-CG2 4.31Å; Y268-T349 HydrophobicContact CG-CG2 3.74Å; Y268-H355 PolarHBondContact N-ND1 3.4Å; Y268-H355 VanDerWaalsContact N-ND1 3.1Å; Y268-H355 WeakPolarHBondContact O-CB 3.09Å; Y268-H355 PolarHBondContact O-N 3.3Å; Y268-H355 PolarHBondContact O-ND1 2.82Å; Y268-K684 WeakPolarHBondContact OH-CD 3.28Å; Y268-K684 WeakPolarHBondContact OH-CE 3.25Å; Y268-K684 PolarHBondContact OH-NZ 2.95Å
269	F	98.8	Very high	90.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.6	172.5	72.8	-85.7	0	0	0	111	V283 L284 A291 K292 G293 F294 F317 F356 M358	F269-V283 HydrophobicContact CD1-CG1 3.63Å; F269-V283 HydrophobicContact CD2-CG1 4.46Å; F269-V283 HydrophobicContact CE1-CB 4.26Å; F269-V283 HydrophobicContact CE1-CG1 3.58Å; F269-V283 HydrophobicContact CE2-CB 4.41Å; F269-V283 HydrophobicContact CE2-CG1 4.41Å; F269-V283 HydrophobicContact CG-CG1 4.08Å; F269-V283 HydrophobicContact CZ-CB 4.15Å; F269-V283 HydrophobicContact CZ-CG1 3.99Å; F269-L284 HydrophobicContact CE1-CD2 3.79Å; F269-L284 HydrophobicContact CE1-CG 4.23Å; F269-L284 HydrophobicContact CZ-CD1 4.49Å; F269-L284 HydrophobicContact CZ-CD2 3.99Å; F269-L284 HydrophobicContact CZ-CG 3.96Å; F269-A291 HydrophobicContact CD1-CB 4.43Å; F269-A291 HydrophobicContact CE1-CB 4.24Å; F269-K292 PolarHBondContact N-O 3.07Å; F269-K292 VanDerWaalsContact N-O 3.12Å; F269-G293 VanDerWaalsContact CZ-CA 3.42Å; F269-G293 WeakPolarHBondContact O-CA 3.33Å; F269-F294 WeakPolarHBondContact O-CD2 3.31Å; F269-F294 PolarHBondContact O-N 3.08Å; F269-F317 HydrophobicContact CE2-CD2 4.29Å; F269-F317 HydrophobicContact CE2-CE2 4.07Å; F269-F317 HydrophobicContact CZ-CD2 4.12Å; F269-F317 HydrophobicContact CZ-CE2 4.37Å; F269-F356 WeakPolarHBondContact CA-O 3.31Å; F269-F356 HydrophobicContact CB-CD1 4.08Å; F269-F356 HydrophobicContact CB-CD2 4.17Å; F269-F356 HydrophobicContact CB-CE1 3.55Å; F269-F356 HydrophobicContact CB-CE2 3.68Å; F269-F356 HydrophobicContact CB-CG 4.36Å; F269-F356 HydrophobicContact CB-CZ 3.35Å; F269-F356 HydrophobicContact CG-CE1 4.49Å; F269-F356 HydrophobicContact CG-CE2 4.35Å; F269-F356 AromaticContact CG-CZ 3.97Å; F269-F356 HydrophobicContact CG-CZ 3.97Å; F269-M358 HydrophobicContact CD2-CE 3.64Å; F269-M358 HydrophobicContact CE2-CE 3.87Å
270	A	98.9	Very high	91	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.6	170.5	0	0	0	0	0	111	F294 F341 V354 F356 L357 M358 I390	A270-F294 CarbonylContact C-O 3.53Å; A270-F294 WeakPolarHBondContact CA-O 3.38Å; A270-F341 HydrophobicContact CB-CZ 4.5Å; A270-V354 HydrophobicContact CB-CG1 4.07Å; A270-V354 HydrophobicContact CB-CG2 4.16Å; A270-F356 PolarHBondContact N-O 3.31Å; A270-L357 HydrophobicContact CB-CD1 3.5Å; A270-L357 VanDerWaalsContact CB-CD1 3.5Å; A270-M358 PolarHBondContact O-N 3.36Å; A270-I390 HydrophobicContact CB-CD1 3.72Å
271	D	98.6	Very high	91.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	108.1	-179.3	-162.5	15.7	0	0	0	109.5	A274 S280 F294 G295 M296 F317 M358	D271-A274 HydrophobicContact CB-CB 4.11Å; D271-A274 WeakPolarHBondContact OD1-CB 3.45Å; D271-A274 WeakPolarHBondContact OD2-CB 3.32Å; D271-S280 WeakPolarHBondContact CB-OG 3.47Å; D271-S280 VanDerWaalsContact CG-OG 3.28Å; D271-S280 WeakPolarHBondContact OD2-CB 3.43Å; D271-S280 PolarHBondContact OD2-N 3.28Å; D271-S280 VanDerWaalsContact OD2-N 3.16Å; D271-S280 PolarHBondContact OD2-OG 3.05Å; D271-F294 PolarHBondContact N-O 3.44Å; D271-G295 VanDerWaalsContact O-CA 3.28Å; D271-G295 WeakPolarHBondContact O-CA 3.29Å; D271-M296 PolarHBondContact O-N 3.28Å; D271-F317 HydrophobicContact CB-CE2 4.23Å; D271-F317 HydrophobicContact CB-CZ 4.27Å; D271-M358 WeakPolarHBondContact CA-O 3.26Å; D271-M358 HydrophobicContact CB-CE 3.99Å
272	V	98.3	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	-173.9	-59.6	0	0	0	0	112.3	A274 M296 I332 F341 L357 M358 A359 D360 Q383 T386	V272-A274 PolarHBondContact O-N 3.23Å; V272-M296 CarbonylContact C-O 3.57Å; V272-M296 VanDerWaalsContact CA-O 3.26Å; V272-M296 WeakPolarHBondContact CA-O 3.46Å; V272-M296 HydrophobicContact CG1-CB 4.34Å; V272-I332 HydrophobicContact CB-CD1 4.01Å; V272-I332 HydrophobicContact CG2-CD1 3.97Å; V272-F341 HydrophobicContact CG1-CD1 4.46Å; V272-F341 HydrophobicContact CG1-CE1 3.65Å; V272-F341 HydrophobicContact CG1-CZ 4.14Å; V272-L357 HydrophobicContact CB-CD1 4.44Å; V272-L357 HydrophobicContact CG1-CD1 3.88Å; V272-L357 HydrophobicContact CG2-CD1 3.93Å; V272-L357 HydrophobicContact CG2-CD2 4.43Å; V272-M358 PolarHBondContact N-O 3.13Å; V272-A359 HydrophobicContact CG2-CB 3.61Å; V272-A359 WeakPolarHBondContact O-CA 3.35Å; V272-D360 PolarHBondContact O-N 3.38Å; V272-Q383 HydrophobicContact CG2-CG 4.48Å; V272-T386 HydrophobicContact CG1-CG2 4.26Å
273	C	94.9	Very high	94.2	Very high	13 Å²	13	12.3 Å²	12.3	9%	0.088	8%	0.079	C	C	.	.	S	Bend	trans	54.6	37.5	-173.7	-53	0	0	0	0	112.1	M296 D360	C273-M296 PolarHBondContact N-O 3.15Å; C273-D360 CarbonylContact O-C 3.56Å
274	A	86.3	Confident	95.1	Very high	8 Å²	8	9.1 Å²	9.1	7%	0.066	6%	0.061	C	C	.	.			trans	-115.6	8.7	-158.6	0	0	0	0	0	114.8	D271 V272 G277 F304	D271-A274 HydrophobicContact CB-CB 4.11Å; D271-A274 WeakPolarHBondContact OD1-CB 3.45Å; D271-A274 WeakPolarHBondContact OD2-CB 3.32Å; V272-A274 PolarHBondContact O-N 3.23Å; A274-G277 VanDerWaalsContact O-CA 3.23Å; A274-G277 WeakPolarHBondContact O-CA 3.27Å; A274-G277 PolarHBondContact O-N 3.09Å; A274-F304 HydrophobicContact CB-CE1 4.1Å; A274-F304 HydrophobicContact CB-CZ 4.41Å
275	G	90.3	Very high	96	Very high	15 Å²	15	8.9 Å²	8.9	16%	0.155	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	134.9	175.6	0	0	0	0	0	111	T297 N302	G275-T297 PolarHBondContact N-OG1 2.99Å; G275-N302 VanDerWaalsContact CA-O 3.28Å; G275-N302 WeakPolarHBondContact CA-O 3.25Å
276	P	94.8	Very high	96.5	Very high	16 Å²	16	9 Å²	9	10%	0.104	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.9	2.2	11.3	33.1	-36.7	0	0	0	117.2	L229 D303 K305	L229-P276 HydrophobicContact CD1-CB 4.14Å; L229-P276 HydrophobicContact CD1-CG 3.51Å; P276-D303 WeakPolarHBondContact CA-O 3.46Å; P276-K305 HydrophobicContact CB-CB 4.01Å; P276-K305 HydrophobicContact CB-CD 3.96Å; P276-K305 HydrophobicContact CB-CG 3.79Å; P276-K305 PolarHBondContact O-N 3.28Å
277	G	95.8	Very high	96.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.			trans	112.8	22.3	171.6	0	0	0	0	0	116.1	A274 F279 S280 E281 F309	A274-G277 VanDerWaalsContact O-CA 3.23Å; A274-G277 WeakPolarHBondContact O-CA 3.27Å; A274-G277 PolarHBondContact O-N 3.09Å; G277-F279 VanDerWaalsContact C-N 3.35Å; G277-F279 PolarHBondContact O-N 3.18Å; G277-S280 WeakPolarHBondContact O-CB 3.18Å; G277-S280 PolarHBondContact O-N 3.18Å; G277-E281 PolarHBondContact O-N 2.83Å; G277-F309 WeakPolarHBondContact O-CZ 3.34Å
278	G	96.4	Very high	96.4	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-59.1	-40.3	-175.5	0	0	0	0	0	114.2	N230 A233 E281 Y282	N230-G278 WeakPolarHBondContact OD1-CA 3.45Å; A233-G278 VanDerWaalsContact CA-O 3.31Å; A233-G278 WeakPolarHBondContact CA-O 3.12Å; A233-G278 WeakPolarHBondContact CB-O 3.21Å; G278-E281 PolarHBondContact O-N 3.36Å; G278-Y282 PolarHBondContact O-N 2.92Å; G278-Y282 VanDerWaalsContact O-N 3.17Å
279	F	98.3	Very high	96.2	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-48.7	176.6	-79.3	14.9	0	0	0	111.4	A232 K235 M236 M239 G277 E281 Y282 V283 M358 D360 Y439	A232-F279 HydrophobicContact CB-CD1 3.94Å; A232-F279 HydrophobicContact CB-CE1 3.82Å; A232-F279 WeakPolarHBondContact O-CD1 3.41Å; A232-F279 WeakPolarHBondContact O-CE1 3.45Å; K235-F279 HydrophobicContact CB-CE1 4.14Å; M236-F279 HydrophobicContact CB-CD1 4.14Å; M236-F279 HydrophobicContact CB-CE1 4.48Å; M236-F279 HydrophobicContact CB-CG 4.36Å; M236-F279 HydrophobicContact CG-CB 3.78Å; M236-F279 HydrophobicContact CG-CD1 3.32Å; M236-F279 HydrophobicContact CG-CD2 3.51Å; M236-F279 HydrophobicContact CG-CE1 3.62Å; M236-F279 HydrophobicContact CG-CE2 3.77Å; M236-F279 HydrophobicContact CG-CG 3.24Å; M236-F279 HydrophobicContact CG-CZ 3.81Å; M236-F279 HydrophobicContact SD-CD2 3.93Å; M236-F279 HydrophobicContact SD-CE2 3.83Å; M236-F279 HydrophobicContact SD-CG 4.28Å; M236-F279 HydrophobicContact SD-CZ 4.15Å; M239-F279 HydrophobicContact CE-CZ 4.39Å; G277-F279 VanDerWaalsContact C-N 3.35Å; G277-F279 PolarHBondContact O-N 3.18Å; F279-E281 PolarHBondContact O-N 3.33Å; F279-Y282 PolarHBondContact O-N 2.82Å; F279-V283 PolarHBondContact O-N 2.79Å; F279-M358 HydrophobicContact CB-CE 3.87Å; F279-M358 HydrophobicContact CB-SD 3.88Å; F279-M358 HydrophobicContact CD2-CB 3.74Å; F279-M358 HydrophobicContact CD2-CG 4.46Å; F279-M358 HydrophobicContact CD2-SD 4.19Å; F279-M358 HydrophobicContact CE2-CB 4.38Å; F279-M358 HydrophobicContact CG-SD 4.39Å; F279-D360 HydrophobicContact CD2-CB 4.15Å; F279-D360 HydrophobicContact CE2-CB 3.69Å; F279-D360 HydrophobicContact CZ-CB 3.97Å; F279-Y439 HydrophobicContact CE2-CE1 4.35Å; F279-Y439 AromaticContact CZ-CE1 3.93Å; F279-Y439 HydrophobicContact CZ-CE1 3.93Å
280	S	98.4	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.4	-40.1	173.4	-68.9	0	0	0	0	113.7	D271 G277 Y282 V283 L284 F317	D271-S280 WeakPolarHBondContact CB-OG 3.47Å; D271-S280 VanDerWaalsContact CG-OG 3.28Å; D271-S280 WeakPolarHBondContact OD2-CB 3.43Å; D271-S280 PolarHBondContact OD2-N 3.28Å; D271-S280 VanDerWaalsContact OD2-N 3.16Å; D271-S280 PolarHBondContact OD2-OG 3.05Å; G277-S280 WeakPolarHBondContact O-CB 3.18Å; G277-S280 PolarHBondContact O-N 3.18Å; S280-Y282 VanDerWaalsContact C-N 3.33Å; S280-Y282 PolarHBondContact O-N 3.2Å; S280-V283 PolarHBondContact O-N 2.98Å; S280-L284 WeakPolarHBondContact O-CB 3.41Å; S280-L284 VanDerWaalsContact O-CG 3.27Å; S280-L284 WeakPolarHBondContact O-CG 3.26Å; S280-L284 PolarHBondContact O-N 2.88Å; S280-F317 WeakPolarHBondContact OG-CE2 3.31Å; S280-F317 WeakPolarHBondContact OG-CZ 3.46Å
281	E	97.9	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.3	-43.3	177.5	-166.8	-170.9	-170.6	0	0	111.3	F228 L229 G277 G278 F279 W285 F309 Y310 S311 A312	F228-E281 WeakPolarHBondContact CA-OE2 3.42Å; F228-E281 HydrophobicContact CD1-CB 4.49Å; F228-E281 HydrophobicContact CD1-CG 4.01Å; L229-E281 WeakPolarHBondContact CB-OE2 3.03Å; L229-E281 HydrophobicContact CD2-CB 4.1Å; L229-E281 WeakPolarHBondContact CD2-OE2 3.41Å; L229-E281 VanDerWaalsContact CG-OE2 3.31Å; L229-E281 WeakPolarHBondContact CG-OE2 3.26Å; L229-E281 PolarHBondContact N-OE2 3.02Å; G277-E281 PolarHBondContact O-N 2.83Å; G278-E281 PolarHBondContact O-N 3.36Å; F279-E281 PolarHBondContact O-N 3.33Å; E281-W285 VanDerWaalsContact O-CB 3.23Å; E281-W285 WeakPolarHBondContact O-CB 3.49Å; E281-W285 PolarHBondContact O-N 2.87Å; E281-F309 HydrophobicContact CB-CD1 4.43Å; E281-F309 HydrophobicContact CB-CD2 4.13Å; E281-F309 HydrophobicContact CB-CE1 4.38Å; E281-F309 HydrophobicContact CB-CE2 4.08Å; E281-F309 HydrophobicContact CB-CG 4.31Å; E281-F309 HydrophobicContact CB-CZ 4.21Å; E281-F309 HydrophobicContact CG-CB 4.44Å; E281-F309 HydrophobicContact CG-CD2 4.22Å; E281-F309 HydrophobicContact CG-CG 4.15Å; E281-Y310 PolarHBondContact OE1-N 2.94Å; E281-S311 VanDerWaalsContact OE1-CB 3.24Å; E281-S311 WeakPolarHBondContact OE1-CB 3.45Å; E281-S311 PolarHBondContact OE1-N 2.74Å; E281-S311 PolarHBondContact OE1-OG 2.9Å; E281-A312 HydrophobicContact CG-CB 3.98Å
282	Y	98.4	Very high	95.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-52	175.6	167.6	-104.4	0	0	0	112	F228 M236 A237 D240 T248 G278 F279 S280 L284 W285 R286 I537	F228-Y282 HydrophobicContact CZ-CD2 4.02Å; M236-Y282 HydrophobicContact CB-CD1 3.76Å; M236-Y282 HydrophobicContact CB-CE1 4.45Å; M236-Y282 HydrophobicContact CB-CG 4.3Å; A237-Y282 HydrophobicContact CB-CD2 3.64Å; A237-Y282 HydrophobicContact CB-CE2 3.51Å; A237-Y282 HydrophobicContact CB-CG 4.34Å; D240-Y282 HydrophobicContact CB-CE1 3.75Å; D240-Y282 WeakPolarHBondContact OD2-CE1 3.45Å; D240-Y282 PolarHBondContact OD2-OH 2.91Å; T248-Y282 HydrophobicContact CG2-CE1 3.91Å; G278-Y282 PolarHBondContact O-N 2.92Å; G278-Y282 VanDerWaalsContact O-N 3.17Å; F279-Y282 PolarHBondContact O-N 2.82Å; S280-Y282 VanDerWaalsContact C-N 3.33Å; S280-Y282 PolarHBondContact O-N 3.2Å; Y282-L284 VanDerWaalsContact C-N 3.34Å; Y282-L284 PolarHBondContact O-N 2.69Å; Y282-W285 HydrophobicContact CD2-CE3 4.2Å; Y282-W285 HydrophobicContact CD2-CZ3 4.44Å; Y282-W285 HydrophobicContact CE2-CE3 4.23Å; Y282-W285 HydrophobicContact CE2-CZ3 4.1Å; Y282-W285 PolarHBondContact O-N 2.91Å; Y282-R286 WeakPolarHBondContact O-CB 3.28Å; Y282-R286 PolarHBondContact O-N 3.23Å; Y282-R286 PolarHBondContact OH-NE 3.39Å; Y282-R286 PolarHBondContact OH-NH2 3.2Å; Y282-I537 HydrophobicContact CE2-CD1 4.12Å
283	V	98.4	Very high	95.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-45	-177.4	175.3	0	0	0	0	110.8	L267 F269 F279 S280 R286 R287 F356 M358	L267-V283 HydrophobicContact CD2-CG1 4.42Å; F269-V283 HydrophobicContact CD1-CG1 3.63Å; F269-V283 HydrophobicContact CD2-CG1 4.46Å; F269-V283 HydrophobicContact CE1-CB 4.26Å; F269-V283 HydrophobicContact CE1-CG1 3.58Å; F269-V283 HydrophobicContact CE2-CB 4.41Å; F269-V283 HydrophobicContact CE2-CG1 4.41Å; F269-V283 HydrophobicContact CG-CG1 4.08Å; F269-V283 HydrophobicContact CZ-CB 4.15Å; F269-V283 HydrophobicContact CZ-CG1 3.99Å; F279-V283 PolarHBondContact O-N 2.79Å; S280-V283 PolarHBondContact O-N 2.98Å; V283-R286 PolarHBondContact O-N 3.24Å; V283-R287 WeakPolarHBondContact O-CB 3.49Å; V283-R287 PolarHBondContact O-N 3.16Å; V283-F356 HydrophobicContact CG1-CZ 3.99Å; V283-F356 HydrophobicContact CG2-CE2 4.21Å; V283-F356 HydrophobicContact CG2-CZ 3.97Å; V283-M358 HydrophobicContact CG2-CE 3.91Å; V283-M358 HydrophobicContact CG2-SD 3.9Å
284	L	97.8	Very high	96.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-71	-33.4	179.9	-66.7	175.1	0	0	0	112.7	F269 S280 Y282 K288 A291 F309 A312 L316 F317	F269-L284 HydrophobicContact CE1-CD2 3.79Å; F269-L284 HydrophobicContact CE1-CG 4.23Å; F269-L284 HydrophobicContact CZ-CD1 4.49Å; F269-L284 HydrophobicContact CZ-CD2 3.99Å; F269-L284 HydrophobicContact CZ-CG 3.96Å; S280-L284 WeakPolarHBondContact O-CB 3.41Å; S280-L284 VanDerWaalsContact O-CG 3.27Å; S280-L284 WeakPolarHBondContact O-CG 3.26Å; S280-L284 PolarHBondContact O-N 2.88Å; Y282-L284 VanDerWaalsContact C-N 3.34Å; Y282-L284 PolarHBondContact O-N 2.69Å; L284-K288 WeakPolarHBondContact O-CA 3.44Å; L284-K288 PolarHBondContact O-N 3.45Å; L284-A291 HydrophobicContact CD2-CB 4.21Å; L284-F309 HydrophobicContact CD1-CD2 4.39Å; L284-F309 HydrophobicContact CD1-CE2 4.14Å; L284-A312 HydrophobicContact CB-CB 3.67Å; L284-L316 HydrophobicContact CD1-CB 4.44Å; L284-L316 HydrophobicContact CD2-CB 3.71Å; L284-L316 HydrophobicContact CD2-CD1 4.27Å; L284-F317 HydrophobicContact CD1-CB 3.97Å
285	W	96.8	Very high	96.6	Very high	56 Å²	56	15.6 Å²	15.6	21%	0.212	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-45.7	171.4	167.8	83.9	0	0	0	111	F227 F228 E281 Y282 A312 I537 P538	F227-W285 AromaticContact CE2-CD1 3.88Å; F227-W285 HydrophobicContact CE2-CD2 4.23Å; F227-W285 AromaticContact CE2-CE2 3.88Å; F227-W285 HydrophobicContact CE2-CG 4.25Å; F227-W285 HydrophobicContact CE2-CZ2 4.43Å; F227-W285 AromaticContact CE2-NE1 3.61Å; F227-W285 HydrophobicContact CZ-CD2 4.23Å; F227-W285 AromaticContact CZ-CE2 3.67Å; F227-W285 HydrophobicContact CZ-CH2 4.35Å; F227-W285 AromaticContact CZ-CZ2 3.77Å; F227-W285 HydrophobicContact CZ-CZ2 3.77Å; F227-W285 AromaticContact CZ-NE1 3.81Å; F228-W285 HydrophobicContact CE1-CB 3.92Å; F228-W285 HydrophobicContact CE1-CD2 4.15Å; F228-W285 HydrophobicContact CE1-CE3 4.3Å; F228-W285 AromaticContact CE1-CG 3.97Å; F228-W285 HydrophobicContact CE1-CG 3.97Å; F228-W285 AromaticContact CZ-CD2 3.95Å; F228-W285 HydrophobicContact CZ-CD2 3.95Å; F228-W285 AromaticContact CZ-CE3 3.81Å; F228-W285 HydrophobicContact CZ-CE3 3.81Å; F228-W285 HydrophobicContact CZ-CG 4.27Å; F228-W285 HydrophobicContact CZ-CZ3 4.32Å; E281-W285 VanDerWaalsContact O-CB 3.23Å; E281-W285 WeakPolarHBondContact O-CB 3.49Å; E281-W285 PolarHBondContact O-N 2.87Å; Y282-W285 HydrophobicContact CD2-CE3 4.2Å; Y282-W285 HydrophobicContact CD2-CZ3 4.44Å; Y282-W285 HydrophobicContact CE2-CE3 4.23Å; Y282-W285 HydrophobicContact CE2-CZ3 4.1Å; Y282-W285 PolarHBondContact O-N 2.91Å; W285-A312 HydrophobicContact CB-CB 4.44Å; W285-I537 HydrophobicContact CH2-CD1 3.79Å; W285-I537 HydrophobicContact CZ3-CD1 3.62Å; W285-P538 HydrophobicContact CZ2-CG 4Å
286	R	96.7	Very high	97	Very high	70 Å²	70	14.9 Å²	14.9	26%	0.264	6%	0.063	S	C	.	.	H	α-helix	trans	-67.6	-40.7	-178.6	-175.2	69.1	76.9	-173.9	6.6	112.2	T248 Y282 V283 W535 G536	T248-R286 HydrophobicContact CG2-CB 4.25Å; T248-R286 HydrophobicContact CG2-CG 4.02Å; Y282-R286 WeakPolarHBondContact O-CB 3.28Å; Y282-R286 PolarHBondContact O-N 3.23Å; Y282-R286 PolarHBondContact OH-NE 3.39Å; Y282-R286 PolarHBondContact OH-NH2 3.2Å; V283-R286 PolarHBondContact O-N 3.24Å; R286-W535 PolarHBondContact NH2-O 3.33Å; R286-G536 PolarHBondContact NH1-O 2.96Å
287	R	95.3	Very high	97.1	Very high	31 Å²	31	14.2 Å²	14.2	12%	0.117	6%	0.059	C	C	.	.	H	α-helix	trans	-104.8	-11.9	-170.9	-61.4	-58.2	-60	-165.8	3.9	114.9	T248 L267 V283 H290 A291	T248-R287 HydrophobicContact CG2-CG 4.32Å; T248-R287 WeakPolarHBondContact O-CD 3.45Å; T248-R287 VanDerWaalsContact O-CZ 3.25Å; T248-R287 PolarHBondContact O-NE 3.43Å; T248-R287 PolarHBondContact O-NH1 3.31Å; L267-R287 HydrophobicContact CD2-CB 4.45Å; L267-R287 HydrophobicContact CD2-CG 3.71Å; V283-R287 WeakPolarHBondContact O-CB 3.49Å; V283-R287 PolarHBondContact O-N 3.16Å; R287-H290 WeakPolarHBondContact O-CB 3.34Å; R287-H290 PolarHBondContact O-N 3.14Å; R287-H290 VanDerWaalsContact O-N 3.14Å; R287-A291 HydrophobicContact CB-CB 3.75Å
288	K	94.4	Very high	97.2	Very high	109 Å²	109	16.5 Å²	16.5	47%	0.474	7%	0.07	S	C	.	.	G	3₁₀ helix	trans	49.3	-142.9	-178.2	-55	-174	177.7	-174.1	0	110.5	L284 H290 A291 L316	L284-K288 WeakPolarHBondContact O-CA 3.44Å; L284-K288 PolarHBondContact O-N 3.45Å; K288-H290 PolarHBondContact O-N 3.22Å; K288-A291 PolarHBondContact O-N 2.91Å; K288-L316 VanDerWaalsContact C-CD1 3.5Å; K288-L316 WeakPolarHBondContact O-CD1 3.33Å
289	W	94.5	Very high	97	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-66.6	1.3	179.8	70.3	-80.6	0	0	0	115.6	A291 L316 L662 N663 L678 K681 F682 A685	W289-A291 VanDerWaalsContact C-N 3.27Å; W289-L316 HydrophobicContact CB-CD1 4.4Å; W289-L316 HydrophobicContact CB-CD2 4.26Å; W289-L662 HydrophobicContact CD2-CB 4.22Å; W289-L662 HydrophobicContact CE3-CD1 4.36Å; W289-L662 HydrophobicContact CH2-CB 4.38Å; W289-L662 HydrophobicContact CH2-CD1 3.42Å; W289-L662 VanDerWaalsContact CH2-CD1 3.42Å; W289-L662 HydrophobicContact CZ2-CB 3.97Å; W289-L662 HydrophobicContact CZ2-CD1 3.81Å; W289-L662 HydrophobicContact CZ3-CD1 3.75Å; W289-L662 PolarHBondContact NE1-O 3.13Å; W289-N663 HydrophobicContact CB-CB 4.21Å; W289-N663 HydrophobicContact CG-CB 4.27Å; W289-L678 HydrophobicContact CH2-CB 3.92Å; W289-L678 HydrophobicContact CH2-CD2 3.73Å; W289-L678 HydrophobicContact CH2-CG 4.28Å; W289-L678 WeakPolarHBondContact CZ3-O 3.33Å; W289-K681 HydrophobicContact CZ3-CB 4.34Å; W289-K681 HydrophobicContact CZ3-CD 4.16Å; W289-K681 HydrophobicContact CZ3-CG 4.2Å; W289-F682 HydrophobicContact CB-CD2 3.85Å; W289-F682 HydrophobicContact CB-CE2 4.06Å; W289-F682 AromaticContact CD2-CD2 3.99Å; W289-F682 HydrophobicContact CD2-CD2 3.99Å; W289-F682 HydrophobicContact CE3-CB 3.76Å; W289-F682 AromaticContact CE3-CD2 3.69Å; W289-F682 HydrophobicContact CE3-CD2 3.69Å; W289-F682 HydrophobicContact CE3-CG 4.23Å; W289-F682 HydrophobicContact CG-CD2 4.11Å; W289-F682 HydrophobicContact CZ3-CB 3.81Å; W289-F682 HydrophobicContact CZ3-CD2 4.45Å; W289-A685 WeakPolarHBondContact O-CB 3.06Å
290	H	95.9	Very high	96.7	Very high	18 Å²	18	22.5 Å²	22.5	8%	0.083	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-86.4	3.6	171.2	-58.4	-56.3	0	0	0	113.3	L267 R287 K288 K681	L267-H290 PolarHBondContact N-O 2.93Å; R287-H290 WeakPolarHBondContact O-CB 3.34Å; R287-H290 PolarHBondContact O-N 3.14Å; R287-H290 VanDerWaalsContact O-N 3.14Å; K288-H290 PolarHBondContact O-N 3.22Å; H290-K681 WeakPolarHBondContact ND1-CE 3.36Å
291	A	96.9	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.8	175.6	0	0	0	0	0	112.2	L267 F269 L284 R287 K288 W289	L267-A291 HydrophobicContact CB-CB 4.06Å; L267-A291 HydrophobicContact CD2-CB 4.42Å; L267-A291 CarbonylContact O-C 3.53Å; L267-A291 WeakPolarHBondContact O-CA 3.34Å; L267-A291 WeakPolarHBondContact O-CB 3.42Å; F269-A291 HydrophobicContact CD1-CB 4.43Å; F269-A291 HydrophobicContact CE1-CB 4.24Å; L284-A291 HydrophobicContact CD2-CB 4.21Å; R287-A291 HydrophobicContact CB-CB 3.75Å; K288-A291 PolarHBondContact O-N 2.91Å; W289-A291 VanDerWaalsContact C-N 3.27Å
292	K	97.8	Very high	95.8	Very high	3 Å²	3	30 Å²	30	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.5	170.4	171.3	72.4	-172.3	-174	0	108.2	L266 L267 Y268 F269 F294 E318 A685 S687	L266-K292 HydrophobicContact CD1-CB 4.24Å; L267-K292 PolarHBondContact O-N 3.37Å; Y268-K292 WeakPolarHBondContact CA-O 3.32Å; Y268-K292 HydrophobicContact CD1-CB 3.82Å; Y268-K292 HydrophobicContact CD1-CG 4.04Å; Y268-K292 HydrophobicContact CE1-CB 3.84Å; Y268-K292 HydrophobicContact CE1-CG 3.98Å; F269-K292 PolarHBondContact N-O 3.07Å; F269-K292 VanDerWaalsContact N-O 3.12Å; K292-F294 HydrophobicContact CD-CE1 4.48Å; K292-F294 HydrophobicContact CG-CE1 4.02Å; K292-F294 HydrophobicContact CG-CE2 4.28Å; K292-F294 HydrophobicContact CG-CZ 3.74Å; K292-E318 WeakPolarHBondContact CE-OE2 3.3Å; K292-E318 IonicContact NZ-OE2 3.82Å; K292-E318 PolarHBondContact NZ-OE2 3.07Å; K292-A685 WeakPolarHBondContact CD-O 3.41Å; K292-S687 PolarHBondContact NZ-O 3.29Å
293	G	98.3	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.6	178.7	0	0	0	0	0	113.2	F269 L316 E318	F269-G293 VanDerWaalsContact CZ-CA 3.42Å; F269-G293 WeakPolarHBondContact O-CA 3.33Å; G293-L316 PolarHBondContact N-O 2.94Å; G293-E318 PolarHBondContact O-N 2.8Å
294	F	98.4	Very high	95.6	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.8	172.8	-49.9	-76.9	0	0	0	109.8	Y268 F269 A270 D271 K292 E318 F341 F344 V345 N348 T349 V354	Y268-F294 AromaticContact CD1-CE2 3.73Å; Y268-F294 HydrophobicContact CD1-CE2 3.73Å; Y268-F294 AromaticContact CD1-CZ 3.94Å; Y268-F294 HydrophobicContact CD1-CZ 3.94Å; Y268-F294 HydrophobicContact CE1-CE2 4.47Å; Y268-F294 HydrophobicContact CE1-CZ 4.25Å; F269-F294 WeakPolarHBondContact O-CD2 3.31Å; F269-F294 PolarHBondContact O-N 3.08Å; A270-F294 CarbonylContact C-O 3.53Å; A270-F294 WeakPolarHBondContact CA-O 3.38Å; D271-F294 PolarHBondContact N-O 3.44Å; K292-F294 HydrophobicContact CD-CE1 4.48Å; K292-F294 HydrophobicContact CG-CE1 4.02Å; K292-F294 HydrophobicContact CG-CE2 4.28Å; K292-F294 HydrophobicContact CG-CZ 3.74Å; F294-E318 WeakPolarHBondContact CA-O 3.13Å; F294-F341 HydrophobicContact CB-CE2 4.27Å; F294-F341 HydrophobicContact CB-CZ 4.2Å; F294-F344 HydrophobicContact CB-CE1 4.41Å; F294-F344 AromaticContact CD1-CE1 3.64Å; F294-F344 HydrophobicContact CD1-CE1 3.64Å; F294-F344 AromaticContact CD1-CZ 3.99Å; F294-F344 HydrophobicContact CD1-CZ 3.99Å; F294-F344 HydrophobicContact CE1-CE1 4.36Å; F294-F344 HydrophobicContact CE1-CZ 4.36Å; F294-F344 HydrophobicContact CG-CE1 4.38Å; F294-V345 HydrophobicContact CB-CG2 4.02Å; F294-V345 HydrophobicContact CD2-CG1 4.37Å; F294-V345 HydrophobicContact CD2-CG2 4.32Å; F294-V345 HydrophobicContact CG-CG2 4.17Å; F294-N348 HydrophobicContact CE1-CB 3.78Å; F294-N348 HydrophobicContact CZ-CB 3.76Å; F294-T349 HydrophobicContact CE2-CG2 3.64Å; F294-T349 HydrophobicContact CZ-CG2 4.04Å; F294-V354 HydrophobicContact CD2-CG1 3.93Å; F294-V354 HydrophobicContact CE2-CG1 4.21Å
295	G	98.1	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.4	-173.8	0	0	0	0	0	113.7	D271 E318 P319 Y320	D271-G295 VanDerWaalsContact O-CA 3.28Å; D271-G295 WeakPolarHBondContact O-CA 3.29Å; G295-E318 PolarHBondContact N-O 3.43Å; G295-P319 CarbonylContact O-C 3.56Å; G295-P319 WeakPolarHBondContact O-CA 3.18Å; G295-Y320 PolarHBondContact O-N 3.08Å
296	M	98.3	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	124.1	165	-175.6	169.6	65	0	0	109.8	D271 V272 C273 Y320 I332 N337 F341	D271-M296 PolarHBondContact O-N 3.28Å; V272-M296 CarbonylContact C-O 3.57Å; V272-M296 VanDerWaalsContact CA-O 3.26Å; V272-M296 WeakPolarHBondContact CA-O 3.46Å; V272-M296 HydrophobicContact CG1-CB 4.34Å; C273-M296 PolarHBondContact N-O 3.15Å; M296-Y320 WeakPolarHBondContact CB-O 3.37Å; M296-Y320 VanDerWaalsContact CG-O 3.31Å; M296-Y320 WeakPolarHBondContact CG-O 3.27Å; M296-I332 HydrophobicContact CE-CB 4.1Å; M296-I332 HydrophobicContact CE-CD1 4.19Å; M296-I332 HydrophobicContact CE-CG1 3.73Å; M296-N337 HydrophobicContact SD-CB 4.46Å; M296-F341 HydrophobicContact CB-CD1 4.41Å; M296-F341 HydrophobicContact CB-CD2 3.99Å; M296-F341 HydrophobicContact CB-CE1 4.33Å; M296-F341 HydrophobicContact CB-CE2 3.9Å; M296-F341 HydrophobicContact CB-CG 4.24Å; M296-F341 HydrophobicContact CB-CZ 4.07Å; M296-F341 HydrophobicContact CE-CB 4.02Å; M296-F341 HydrophobicContact CE-CD1 3.97Å; M296-F341 HydrophobicContact CE-CG 4.04Å; M296-F341 HydrophobicContact SD-CB 3.8Å; M296-F341 HydrophobicContact SD-CD1 4.49Å; M296-F341 HydrophobicContact SD-CD2 4.34Å; M296-F341 HydrophobicContact SD-CG 3.98Å
297	T	97.4	Very high	94.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.192	C	C	.	.			trans	-147.4	158.7	176.7	-165	0	0	0	0	108.8	G275 K299 D303 F304 Y321 G330	G275-T297 PolarHBondContact N-OG1 2.99Å; T297-K299 PolarHBondContact O-N 2.67Å; T297-D303 WeakPolarHBondContact CG2-OD1 3.34Å; T297-F304 HydrophobicContact CG2-CD2 3.51Å; T297-F304 HydrophobicContact CG2-CE2 3.49Å; T297-F304 VanDerWaalsContact CG2-CE2 3.49Å; T297-F304 HydrophobicContact CG2-CG 4.11Å; T297-F304 HydrophobicContact CG2-CZ 4.05Å; T297-Y321 HydrophobicContact CG2-CE1 4.39Å; T297-Y321 VanDerWaalsContact O-CD1 3.23Å; T297-Y321 WeakPolarHBondContact O-CD1 3.49Å; T297-Y321 WeakPolarHBondContact O-CE1 3.47Å; T297-G330 CarbonylContact C-O 3.59Å; T297-G330 WeakPolarHBondContact O-CA 3.24Å
298	L	96	Very high	94.7	Very high	47 Å²	47	37.4 Å²	37.4	25%	0.246	20%	0.198	C	C	.	.			trans	-60.6	137.4	173.9	-76.9	174.4	0	0	0	110.5	L27 D329 D331	L27-L298 HydrophobicContact CD1-CB 3.87Å; L27-L298 HydrophobicContact CD1-CD1 3.55Å; L27-L298 HydrophobicContact CD1-CG 3.86Å; L27-L298 HydrophobicContact CG-CD1 3.8Å; L298-D329 WeakPolarHBondContact CA-O 3.37Å; L298-D331 VanDerWaalsContact CD2-CA 3.48Å; L298-D331 HydrophobicContact CD2-CB 3.66Å
299	K	93.4	Very high	94.5	Very high	88 Å²	88	32.5 Å²	32.5	38%	0.383	18%	0.176	S	C	.	.	S	Bend	trans	-64.6	151.2	167.6	-74	-171.1	173.3	160.8	0	111.1	T297 Y321 I326 D327 G328 D329	T297-K299 PolarHBondContact O-N 2.67Å; K299-Y321 HydrophobicContact CD-CD1 4.41Å; K299-Y321 HydrophobicContact CG-CD1 3.63Å; K299-Y321 HydrophobicContact CG-CE1 3.7Å; K299-Y321 HydrophobicContact CG-CG 4.25Å; K299-I326 WeakPolarHBondContact CE-O 3.47Å; K299-I326 PolarHBondContact NZ-O 3.29Å; K299-D327 VanDerWaalsContact NZ-C 3.32Å; K299-D327 PolarHBondContact NZ-O 3.27Å; K299-G328 VanDerWaalsContact CD-O 3.26Å; K299-G328 WeakPolarHBondContact CD-O 3.43Å; K299-G328 WeakPolarHBondContact CE-O 3.49Å; K299-G328 PolarHBondContact NZ-O 3.03Å; K299-D329 PolarHBondContact N-O 2.91Å
300	G	92	Very high	94.2	Very high	44 Å²	44	35.4 Å²	35.4	45%	0.454	19%	0.188	S	C	.	.	S	Bend	trans	130.9	-153.3	174.7	0	0	0	0	0	112.5	N302 D303	G300-N302 PolarHBondContact O-N 3.5Å; G300-N302 VanDerWaalsContact O-N 3.13Å; G300-D303 WeakPolarHBondContact O-CB 3.32Å; G300-D303 PolarHBondContact O-N 2.97Å; G300-D303 VanDerWaalsContact O-N 3.14Å
301	P	89.3	Confident	93.7	Very high	109 Å²	109	36 Å²	36	71%	0.708	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.9	-176.1	-25.7	35.1	0	0	0	114.5
302	N	88.8	Confident	93.4	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	32	-178.6	-63	-65.6	0	0	0	112	L27 G275 G300	L27-N302 VanDerWaalsContact O-CG 3.29Å; L27-N302 PolarHBondContact O-ND2 3.46Å; G275-N302 VanDerWaalsContact CA-O 3.28Å; G275-N302 WeakPolarHBondContact CA-O 3.25Å; G300-N302 PolarHBondContact O-N 3.5Å; G300-N302 VanDerWaalsContact O-N 3.13Å
303	D	95.3	Very high	93.1	Very high	33 Å²	33	36.3 Å²	36.3	18%	0.176	20%	0.197	C	C	.	.	S	Bend	trans	-72.6	169.3	168.4	-157.8	-14.7	0	0	0	111.1	P276 T297 G300 K305 Y321	P276-D303 WeakPolarHBondContact CA-O 3.46Å; T297-D303 WeakPolarHBondContact CG2-OD1 3.34Å; G300-D303 WeakPolarHBondContact O-CB 3.32Å; G300-D303 PolarHBondContact O-N 2.97Å; G300-D303 VanDerWaalsContact O-N 3.14Å; D303-K305 PolarHBondContact O-N 2.96Å; D303-Y321 VanDerWaalsContact CG-OH 3.23Å; D303-Y321 VanDerWaalsContact OD1-CE1 3.27Å; D303-Y321 WeakPolarHBondContact OD1-CE1 3.32Å; D303-Y321 PolarHBondContact OD1-OH 3.35Å; D303-Y321 PolarHBondContact OD2-OH 3.45Å
304	F	95.3	Very high	92.9	Very high	16 Å²	16	36.7 Å²	36.7	7%	0.07	20%	0.199	C	C	.	.			trans	-56.3	128.7	172.3	-68.6	-67.3	0	0	0	111.4	A274 T297 L306 F317 P319	A274-F304 HydrophobicContact CB-CE1 4.1Å; A274-F304 HydrophobicContact CB-CZ 4.41Å; T297-F304 HydrophobicContact CG2-CD2 3.51Å; T297-F304 HydrophobicContact CG2-CE2 3.49Å; T297-F304 VanDerWaalsContact CG2-CE2 3.49Å; T297-F304 HydrophobicContact CG2-CG 4.11Å; T297-F304 HydrophobicContact CG2-CZ 4.05Å; F304-L306 HydrophobicContact CB-CD2 4.07Å; F304-L306 HydrophobicContact CB-CG 4.22Å; F304-F317 AromaticContact CD1-CE1 3.88Å; F304-F317 HydrophobicContact CD1-CE1 3.88Å; F304-F317 HydrophobicContact CD1-CZ 4.35Å; F304-F317 HydrophobicContact CD2-CE1 4.25Å; F304-F317 AromaticContact CE1-CE1 3.69Å; F304-F317 HydrophobicContact CE1-CE1 3.69Å; F304-F317 AromaticContact CE1-CZ 3.72Å; F304-F317 HydrophobicContact CE1-CZ 3.72Å; F304-F317 HydrophobicContact CE2-CE1 4.05Å; F304-F317 HydrophobicContact CE2-CZ 4.41Å; F304-F317 HydrophobicContact CG-CE1 4.17Å; F304-F317 AromaticContact CZ-CE1 3.78Å; F304-F317 HydrophobicContact CZ-CE1 3.78Å; F304-F317 AromaticContact CZ-CZ 3.76Å; F304-F317 HydrophobicContact CZ-CZ 3.76Å; F304-P319 HydrophobicContact CD2-CB 3.87Å; F304-P319 HydrophobicContact CD2-CG 4.04Å; F304-P319 HydrophobicContact CE2-CB 4.23Å
305	K	94.8	Very high	92.7	Very high	82 Å²	82	36.9 Å²	36.9	36%	0.357	20%	0.2	S	C	.	.			trans	-104.2	68.4	173.7	-62	-175.6	-179.9	-179.4	0	109.4	P276 D303 E307 D308	P276-K305 HydrophobicContact CB-CB 4.01Å; P276-K305 HydrophobicContact CB-CD 3.96Å; P276-K305 HydrophobicContact CB-CG 3.79Å; P276-K305 PolarHBondContact O-N 3.28Å; D303-K305 PolarHBondContact O-N 2.96Å; K305-E307 PolarHBondContact O-N 3.29Å; K305-E307 VanDerWaalsContact O-N 3.16Å; K305-D308 HydrophobicContact CB-CB 4.02Å; K305-D308 WeakPolarHBondContact O-CB 3.48Å; K305-D308 PolarHBondContact O-N 3.39Å
306	L	91.8	Very high	92.6	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.162	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-62.6	-23	-176	-63.4	-168.9	0	0	0	113.1	F304 D308 F309 S314 F317 P319	F304-L306 HydrophobicContact CB-CD2 4.07Å; F304-L306 HydrophobicContact CB-CG 4.22Å; L306-D308 PolarHBondContact O-N 3.35Å; L306-F309 HydrophobicContact CD2-CE1 4.24Å; L306-F309 HydrophobicContact CD2-CE2 4.35Å; L306-F309 HydrophobicContact CD2-CZ 4.06Å; L306-S314 WeakPolarHBondContact O-CB 3.43Å; L306-S314 PolarHBondContact O-OG 3.49Å; L306-F317 HydrophobicContact CD2-CD1 3.71Å; L306-F317 HydrophobicContact CD2-CE1 4.33Å; L306-P319 HydrophobicContact CD1-CG 3.69Å; L306-P319 HydrophobicContact CG-CG 4.4Å
307	E	89.9	Confident	92.6	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.509	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-66.7	-26	174.1	62.6	-86.6	-154.4	0	0	113.3	K305 Y310 K604	K305-E307 PolarHBondContact O-N 3.29Å; K305-E307 VanDerWaalsContact O-N 3.16Å; E307-Y310 WeakPolarHBondContact O-CE1 3.24Å; E307-K604 VanDerWaalsContact CA-NZ 3.31Å; E307-K604 PolarHBondContact O-NZ 2.67Å; E307-K604 VanDerWaalsContact O-NZ 3.13Å
308	D	91.7	Very high	92.5	Very high	44 Å²	44	36.9 Å²	36.9	24%	0.235	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-92.6	0.6	-175.6	-78	-16.9	0	0	0	113.6	K305 L306 Y310 R542	K305-D308 HydrophobicContact CB-CB 4.02Å; K305-D308 WeakPolarHBondContact O-CB 3.48Å; K305-D308 PolarHBondContact O-N 3.39Å; L306-D308 PolarHBondContact O-N 3.35Å; D308-Y310 WeakPolarHBondContact O-CD1 3.43Å; D308-Y310 PolarHBondContact O-N 2.69Å; D308-Y310 PolarHBondContact OD1-OH 2.95Å; D308-R542 PolarHBondContact O-NH2 2.85Å
309	F	91.4	Very high	92.6	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	19%	0.193	C	C	.	.			trans	-73.5	78	171.8	-78.7	34.8	0	0	0	109.2	L229 G277 E281 L284 L306 A312 R629	L229-F309 HydrophobicContact CD2-CD1 3.57Å; L229-F309 HydrophobicContact CD2-CE1 3.42Å; L229-F309 VanDerWaalsContact CD2-CE1 3.42Å; L229-F309 HydrophobicContact CD2-CZ 4.4Å; G277-F309 WeakPolarHBondContact O-CZ 3.34Å; E281-F309 HydrophobicContact CB-CD1 4.43Å; E281-F309 HydrophobicContact CB-CD2 4.13Å; E281-F309 HydrophobicContact CB-CE1 4.38Å; E281-F309 HydrophobicContact CB-CE2 4.08Å; E281-F309 HydrophobicContact CB-CG 4.31Å; E281-F309 HydrophobicContact CB-CZ 4.21Å; E281-F309 HydrophobicContact CG-CB 4.44Å; E281-F309 HydrophobicContact CG-CD2 4.22Å; E281-F309 HydrophobicContact CG-CG 4.15Å; L284-F309 HydrophobicContact CD1-CD2 4.39Å; L284-F309 HydrophobicContact CD1-CE2 4.14Å; L306-F309 HydrophobicContact CD2-CE1 4.24Å; L306-F309 HydrophobicContact CD2-CE2 4.35Å; L306-F309 HydrophobicContact CD2-CZ 4.06Å; F309-A312 HydrophobicContact CD2-CB 4.29Å; F309-R629 PolarHBondContact O-NH2 2.73Å
310	Y	87.9	Confident	92.7	Very high	64 Å²	64	32.9 Å²	32.9	25%	0.251	18%	0.181	S	C	.	.	S	Bend	trans	-76	-31.7	-177.6	-64.1	-9.8	0	0	0	111.6	E281 E307 D308 R542 A544 R629	E281-Y310 PolarHBondContact OE1-N 2.94Å; E307-Y310 WeakPolarHBondContact O-CE1 3.24Å; D308-Y310 WeakPolarHBondContact O-CD1 3.43Å; D308-Y310 PolarHBondContact O-N 2.69Å; D308-Y310 PolarHBondContact OD1-OH 2.95Å; Y310-R542 HydrophobicContact CD2-CG 3.83Å; Y310-R542 HydrophobicContact CE2-CG 4.47Å; Y310-A544 HydrophobicContact CD2-CB 4.12Å; Y310-A544 HydrophobicContact CE2-CB 3.79Å; Y310-R629 PolarHBondContact O-NH1 3.08Å; Y310-R629 PolarHBondContact O-NH2 3.22Å
311	S	84.4	Confident	93	Very high	30 Å²	30	31.5 Å²	31.5	21%	0.21	16%	0.163	C	C	.	.	S	Bend	trans	-87.1	-18.7	-174.5	-34.7	0	0	0	0	112.9	F227 E281	F227-S311 WeakPolarHBondContact CD2-OG 3.4Å; F227-S311 PolarHBondContact O-OG 3.01Å; E281-S311 VanDerWaalsContact OE1-CB 3.24Å; E281-S311 WeakPolarHBondContact OE1-CB 3.45Å; E281-S311 PolarHBondContact OE1-N 2.74Å; E281-S311 PolarHBondContact OE1-OG 2.9Å
312	A	90.4	Very high	93.3	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.033	13%	0.129	C	C	.	.	S	Bend	trans	-128.6	168.9	-174.3	0	0	0	0	0	111.9	E281 L284 W285 F309 R629	E281-A312 HydrophobicContact CG-CB 3.98Å; L284-A312 HydrophobicContact CB-CB 3.67Å; W285-A312 HydrophobicContact CB-CB 4.44Å; F309-A312 HydrophobicContact CD2-CB 4.29Å; A312-R629 PolarHBondContact O-NH2 3.04Å
313	S	92.4	Very high	93.5	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.042	14%	0.141	C	C	.	.			trans	-98.5	105.2	174.1	-58.3	0	0	0	0	108.3	E315 L316 N663	S313-E315 VanDerWaalsContact C-OE2 3.24Å; S313-E315 VanDerWaalsContact CA-OE2 3.31Å; S313-E315 WeakPolarHBondContact CA-OE2 3.42Å; S313-E315 WeakPolarHBondContact CB-OE2 3.15Å; S313-E315 PolarHBondContact O-N 3.03Å; S313-L316 WeakPolarHBondContact O-CB 3.44Å; S313-L316 WeakPolarHBondContact O-CG 3.49Å; S313-L316 PolarHBondContact O-N 3.14Å; S313-N663 PolarHBondContact OG-ND2 3.24Å
314	S	92.9	Very high	93.2	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.049	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-71	-9.7	-176.8	51.4	0	0	0	0	113.5	L306 L316 F317	L306-S314 WeakPolarHBondContact O-CB 3.43Å; L306-S314 PolarHBondContact O-OG 3.49Å; S314-L316 PolarHBondContact O-N 2.86Å; S314-F317 PolarHBondContact O-N 3.24Å
315	E	95.3	Very high	93.1	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.2	172.1	-55.1	78.1	-169	0	0	112.4	S313 F317 K604 E626 P628 K688	S313-E315 VanDerWaalsContact C-OE2 3.24Å; S313-E315 VanDerWaalsContact CA-OE2 3.31Å; S313-E315 WeakPolarHBondContact CA-OE2 3.42Å; S313-E315 WeakPolarHBondContact CB-OE2 3.15Å; S313-E315 PolarHBondContact O-N 3.03Å; E315-F317 VanDerWaalsContact C-N 3.28Å; E315-K604 VanDerWaalsContact OE1-CA 3.23Å; E315-K604 WeakPolarHBondContact OE1-CA 3.24Å; E315-K604 WeakPolarHBondContact OE1-CG 3.47Å; E315-K604 PolarHBondContact OE1-N 3.05Å; E315-E626 HydrophobicContact CG-CB 3.86Å; E315-P628 HydrophobicContact CB-CG 4.17Å; E315-K688 WeakPolarHBondContact O-CE 3.49Å
316	L	96.9	Very high	92.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-84.7	-1.3	176.9	-53.9	173.4	0	0	0	113	L284 K288 W289 G293 S313 S314 P628 A685 V686	L284-L316 HydrophobicContact CD1-CB 4.44Å; L284-L316 HydrophobicContact CD2-CB 3.71Å; L284-L316 HydrophobicContact CD2-CD1 4.27Å; K288-L316 VanDerWaalsContact C-CD1 3.5Å; K288-L316 WeakPolarHBondContact O-CD1 3.33Å; W289-L316 HydrophobicContact CB-CD1 4.4Å; W289-L316 HydrophobicContact CB-CD2 4.26Å; G293-L316 PolarHBondContact N-O 2.94Å; S313-L316 WeakPolarHBondContact O-CB 3.44Å; S313-L316 WeakPolarHBondContact O-CG 3.49Å; S313-L316 PolarHBondContact O-N 3.14Å; S314-L316 PolarHBondContact O-N 2.86Å; L316-P628 HydrophobicContact CD2-CG 4.11Å; L316-P628 HydrophobicContact CG-CG 4.41Å; L316-A685 HydrophobicContact CD2-CB 3.88Å; L316-V686 HydrophobicContact CD2-CG1 3.9Å
317	F	97.3	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.6	179.7	-165.7	-105.1	0	0	0	111	F269 D271 S280 L284 F304 L306 S314 E315 P319	F269-F317 HydrophobicContact CE2-CD2 4.29Å; F269-F317 HydrophobicContact CE2-CE2 4.07Å; F269-F317 HydrophobicContact CZ-CD2 4.12Å; F269-F317 HydrophobicContact CZ-CE2 4.37Å; D271-F317 HydrophobicContact CB-CE2 4.23Å; D271-F317 HydrophobicContact CB-CZ 4.27Å; S280-F317 WeakPolarHBondContact OG-CE2 3.31Å; S280-F317 WeakPolarHBondContact OG-CZ 3.46Å; L284-F317 HydrophobicContact CD1-CB 3.97Å; F304-F317 AromaticContact CD1-CE1 3.88Å; F304-F317 HydrophobicContact CD1-CE1 3.88Å; F304-F317 HydrophobicContact CD1-CZ 4.35Å; F304-F317 HydrophobicContact CD2-CE1 4.25Å; F304-F317 AromaticContact CE1-CE1 3.69Å; F304-F317 HydrophobicContact CE1-CE1 3.69Å; F304-F317 AromaticContact CE1-CZ 3.72Å; F304-F317 HydrophobicContact CE1-CZ 3.72Å; F304-F317 HydrophobicContact CE2-CE1 4.05Å; F304-F317 HydrophobicContact CE2-CZ 4.41Å; F304-F317 HydrophobicContact CG-CE1 4.17Å; F304-F317 AromaticContact CZ-CE1 3.78Å; F304-F317 HydrophobicContact CZ-CE1 3.78Å; F304-F317 AromaticContact CZ-CZ 3.76Å; F304-F317 HydrophobicContact CZ-CZ 3.76Å; L306-F317 HydrophobicContact CD2-CD1 3.71Å; L306-F317 HydrophobicContact CD2-CE1 4.33Å; S314-F317 PolarHBondContact O-N 3.24Å; E315-F317 VanDerWaalsContact C-N 3.28Å; F317-P319 HydrophobicContact CD1-CG 4.04Å; F317-P319 HydrophobicContact CE1-CG 4.1Å
318	E	96.1	Very high	93	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	101.4	-179.7	-169.1	165.7	-178.4	0	0	111.7	K292 G293 F294 G295 F344 K688 P689 S690	K292-E318 WeakPolarHBondContact CE-OE2 3.3Å; K292-E318 IonicContact NZ-OE2 3.82Å; K292-E318 PolarHBondContact NZ-OE2 3.07Å; G293-E318 PolarHBondContact O-N 2.8Å; F294-E318 WeakPolarHBondContact CA-O 3.13Å; G295-E318 PolarHBondContact N-O 3.43Å; E318-F344 HydrophobicContact CG-CZ 3.88Å; E318-K688 VanDerWaalsContact OE1-CA 3.31Å; E318-K688 WeakPolarHBondContact OE1-CA 3.41Å; E318-K688 WeakPolarHBondContact OE2-CA 3.42Å; E318-P689 WeakPolarHBondContact OE1-CD 2.95Å; E318-P689 VanDerWaalsContact OE1-N 3.13Å; E318-P689 WeakPolarHBondContact OE2-CD 3.36Å; E318-S690 WeakPolarHBondContact OE1-CB 3.47Å; E318-S690 PolarHBondContact OE1-N 3.43Å; E318-S690 PolarHBondContact OE1-OG 3.12Å
319	P	96.4	Very high	93.3	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	139.3	169	-19.4	32.3	0	0	0	111.5	G295 F304 L306 F317 Y321	G295-P319 CarbonylContact O-C 3.56Å; G295-P319 WeakPolarHBondContact O-CA 3.18Å; F304-P319 HydrophobicContact CD2-CB 3.87Å; F304-P319 HydrophobicContact CD2-CG 4.04Å; F304-P319 HydrophobicContact CE2-CB 4.23Å; L306-P319 HydrophobicContact CD1-CG 3.69Å; L306-P319 HydrophobicContact CG-CG 4.4Å; F317-P319 HydrophobicContact CD1-CG 4.04Å; F317-P319 HydrophobicContact CE1-CG 4.1Å; P319-Y321 HydrophobicContact CB-CE2 3.85Å
320	Y	96.9	Very high	93.5	Very high	36 Å²	36	29.6 Å²	29.6	14%	0.141	17%	0.169	C	C	.	.			trans	-143.2	122.7	176.9	-171.2	-87.9	0	0	0	108.9	G295 M296 G322 G325 A340 F341 F344	G295-Y320 PolarHBondContact O-N 3.08Å; M296-Y320 WeakPolarHBondContact CB-O 3.37Å; M296-Y320 VanDerWaalsContact CG-O 3.31Å; M296-Y320 WeakPolarHBondContact CG-O 3.27Å; Y320-G322 WeakPolarHBondContact CE1-O 3.37Å; Y320-G322 PolarHBondContact OH-O 3.5Å; Y320-G325 VanDerWaalsContact CE2-CA 3.47Å; Y320-A340 HydrophobicContact CE1-CB 4.03Å; Y320-F341 HydrophobicContact CD1-CB 4.36Å; Y320-F341 AromaticContact CD1-CD2 3.87Å; Y320-F341 HydrophobicContact CD1-CD2 3.87Å; Y320-F341 HydrophobicContact CG-CD2 4.32Å; Y320-F344 HydrophobicContact CD1-CB 4.34Å; Y320-F344 HydrophobicContact CD1-CD1 4.22Å; Y320-F344 HydrophobicContact CD1-CG 4.36Å; Y320-F344 HydrophobicContact CD2-CB 4.27Å; Y320-F344 AromaticContact CD2-CD1 3.79Å; Y320-F344 HydrophobicContact CD2-CD1 3.79Å; Y320-F344 AromaticContact CD2-CD2 3.85Å; Y320-F344 HydrophobicContact CD2-CD2 3.85Å; Y320-F344 HydrophobicContact CD2-CE1 4.06Å; Y320-F344 HydrophobicContact CD2-CE2 4.13Å; Y320-F344 AromaticContact CD2-CG 3.68Å; Y320-F344 HydrophobicContact CD2-CG 3.68Å; Y320-F344 HydrophobicContact CD2-CZ 4.24Å; Y320-F344 HydrophobicContact CE1-CB 4.12Å; Y320-F344 HydrophobicContact CE1-CG 4.5Å; Y320-F344 HydrophobicContact CE2-CB 4.05Å; Y320-F344 HydrophobicContact CE2-CD1 4.4Å; Y320-F344 AromaticContact CE2-CD2 3.89Å; Y320-F344 HydrophobicContact CE2-CD2 3.89Å; Y320-F344 AromaticContact CE2-CG 3.84Å; Y320-F344 HydrophobicContact CE2-CG 3.84Å; Y320-F344 HydrophobicContact CG-CB 4.4Å; Y320-F344 AromaticContact CG-CD1 3.68Å; Y320-F344 HydrophobicContact CG-CD1 3.68Å; Y320-F344 HydrophobicContact CG-CE1 4.06Å; Y320-F344 AromaticContact CG-CG 3.95Å; Y320-F344 HydrophobicContact CG-CG 3.95Å
321	Y	97.1	Very high	94	Very high	16 Å²	16	27.9 Å²	27.9	6%	0.063	16%	0.164	C	C	.	.			trans	-102.4	26.6	-167.8	-61.2	-87.3	0	0	0	113.3	T297 K299 D303 P319 G325 I326 G328 D329 G330	T297-Y321 HydrophobicContact CG2-CE1 4.39Å; T297-Y321 VanDerWaalsContact O-CD1 3.23Å; T297-Y321 WeakPolarHBondContact O-CD1 3.49Å; T297-Y321 WeakPolarHBondContact O-CE1 3.47Å; K299-Y321 HydrophobicContact CD-CD1 4.41Å; K299-Y321 HydrophobicContact CG-CD1 3.63Å; K299-Y321 HydrophobicContact CG-CE1 3.7Å; K299-Y321 HydrophobicContact CG-CG 4.25Å; D303-Y321 VanDerWaalsContact CG-OH 3.23Å; D303-Y321 VanDerWaalsContact OD1-CE1 3.27Å; D303-Y321 WeakPolarHBondContact OD1-CE1 3.32Å; D303-Y321 PolarHBondContact OD1-OH 3.35Å; D303-Y321 PolarHBondContact OD2-OH 3.45Å; P319-Y321 HydrophobicContact CB-CE2 3.85Å; Y321-G325 WeakPolarHBondContact CA-O 3.44Å; Y321-G325 WeakPolarHBondContact CB-O 3.49Å; Y321-G325 PolarHBondContact N-O 3.32Å; Y321-I326 HydrophobicContact CD2-CD1 4.11Å; Y321-I326 HydrophobicContact CE2-CD1 3.85Å; Y321-G328 VanDerWaalsContact CB-C 3.49Å; Y321-G328 WeakPolarHBondContact CB-O 3.29Å; Y321-G328 CarbonylContact O-C 3.57Å; Y321-G328 VanDerWaalsContact O-CA 3.32Å; Y321-G328 WeakPolarHBondContact O-CA 3.5Å; Y321-D329 PolarHBondContact O-N 2.85Å; Y321-G330 WeakPolarHBondContact O-CA 3.44Å; Y321-G330 PolarHBondContact O-N 3.26Å
322	G	95.4	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	86.9	-139.3	177.1	0	0	0	0	0	113.4	Y320 G324 G325 N337	Y320-G322 WeakPolarHBondContact CE1-O 3.37Å; Y320-G322 PolarHBondContact OH-O 3.5Å; G322-G324 PolarHBondContact O-N 3.46Å; G322-G325 PolarHBondContact O-N 3.02Å; G322-N337 WeakPolarHBondContact CA-OD1 3.48Å
323	E	93.9	Very high	95	Very high	110 Å²	110	27.1 Å²	27.1	51%	0.514	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	129.4	179.9	-173.1	178.3	-143.4	0	0	110.6	G325 G328 R334 E336 N337	E323-G325 VanDerWaalsContact C-N 3.34Å; E323-G328 VanDerWaalsContact O-CA 3.25Å; E323-G328 WeakPolarHBondContact O-CA 3.42Å; E323-R334 IonicContact OE2-NH2 2.73Å; E323-E336 HydrophobicContact CB-CB 4.24Å; E323-N337 PolarHBondContact N-OD1 3.18Å
324	G	89.8	Confident	95.3	Very high	57 Å²	57	30.5 Å²	30.5	59%	0.588	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	1.8	-171.8	0	0	0	0	0	114.7	G322 I326 D327	G322-G324 PolarHBondContact O-N 3.46Å; G324-I326 PolarHBondContact O-N 2.87Å; G324-D327 PolarHBondContact O-N 3.49Å
325	G	91.9	Very high	95.6	Very high	9 Å²	9	31.1 Å²	31.1	9%	0.093	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	66.9	-115.2	173.5	0	0	0	0	0	112.7	Y320 Y321 G322 E323 D327 G328	Y320-G325 VanDerWaalsContact CE2-CA 3.47Å; Y321-G325 WeakPolarHBondContact CA-O 3.44Å; Y321-G325 WeakPolarHBondContact CB-O 3.49Å; Y321-G325 PolarHBondContact N-O 3.32Å; G322-G325 PolarHBondContact O-N 3.02Å; E323-G325 VanDerWaalsContact C-N 3.34Å; G325-D327 PolarHBondContact O-N 3.25Å; G325-G328 PolarHBondContact O-N 2.99Å
326	I	89.4	Confident	95.7	Very high	56 Å²	56	34.7 Å²	34.7	29%	0.287	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-67.4	-22	179.9	-160.5	67.7	0	0	0	112.4	K299 Y321 G324	K299-I326 WeakPolarHBondContact CE-O 3.47Å; K299-I326 PolarHBondContact NZ-O 3.29Å; Y321-I326 HydrophobicContact CD2-CD1 4.11Å; Y321-I326 HydrophobicContact CE2-CD1 3.85Å; G324-I326 PolarHBondContact O-N 2.87Å
327	D	90.9	Very high	95.8	Very high	135 Å²	135	34.7 Å²	34.7	72%	0.722	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-91.5	-7.9	-176	-65.4	-40.3	0	0	0	113.5	K299 G324 G325	K299-D327 VanDerWaalsContact NZ-C 3.32Å; K299-D327 PolarHBondContact NZ-O 3.27Å; G324-D327 PolarHBondContact O-N 3.49Å; G325-D327 PolarHBondContact O-N 3.25Å
328	G	95.3	Very high	95.9	Very high	10 Å²	10	35 Å²	35	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-65.1	175.8	177.3	0	0	0	0	0	114.1	K299 Y321 E323 G325	K299-G328 VanDerWaalsContact CD-O 3.26Å; K299-G328 WeakPolarHBondContact CD-O 3.43Å; K299-G328 WeakPolarHBondContact CE-O 3.49Å; K299-G328 PolarHBondContact NZ-O 3.03Å; Y321-G328 VanDerWaalsContact CB-C 3.49Å; Y321-G328 WeakPolarHBondContact CB-O 3.29Å; Y321-G328 CarbonylContact O-C 3.57Å; Y321-G328 VanDerWaalsContact O-CA 3.32Å; Y321-G328 WeakPolarHBondContact O-CA 3.5Å; E323-G328 VanDerWaalsContact O-CA 3.25Å; E323-G328 WeakPolarHBondContact O-CA 3.42Å; G325-G328 PolarHBondContact O-N 2.99Å
329	D	96.4	Very high	96	Very high	56 Å²	56	37.5 Å²	37.5	30%	0.299	21%	0.207	S	C	.	.			trans	-91.9	-20.4	-178.3	56.8	21.9	0	0	0	113.6	L298 K299 Y321 D331 R334 N337	L298-D329 WeakPolarHBondContact CA-O 3.37Å; K299-D329 PolarHBondContact N-O 2.91Å; Y321-D329 PolarHBondContact O-N 2.85Å; D329-D331 VanDerWaalsContact C-N 3.32Å; D329-D331 PolarHBondContact OD1-N 3.31Å; D329-R334 IonicContact OD2-CZ 3.3Å; D329-R334 IonicContact OD2-NH1 3.01Å; D329-R334 PolarHBondContact OD2-NH1 3.1Å; D329-N337 PolarHBondContact OD1-ND2 3.35Å
330	G	97.2	Very high	96.1	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	21%	0.209	C	C	.	.			trans	74.5	16.5	-176.9	0	0	0	0	0	114.6	T297 Y321 I332	T297-G330 CarbonylContact C-O 3.59Å; T297-G330 WeakPolarHBondContact O-CA 3.24Å; Y321-G330 WeakPolarHBondContact O-CA 3.44Å; Y321-G330 PolarHBondContact O-N 3.26Å; G330-I332 PolarHBondContact O-N 3.31Å; G330-I332 VanDerWaalsContact O-N 3.16Å
331	D	97.8	Very high	96.2	Very high	29 Å²	29	36 Å²	36	16%	0.155	20%	0.203	C	C	.	.			trans	-73.4	104.7	177.1	-172.5	-12.9	0	0	0	110.2	L298 D329 T333 R334 N337	L298-D331 VanDerWaalsContact CD2-CA 3.48Å; L298-D331 HydrophobicContact CD2-CB 3.66Å; D329-D331 VanDerWaalsContact C-N 3.32Å; D329-D331 PolarHBondContact OD1-N 3.31Å; D331-T333 VanDerWaalsContact CG-OG1 3.27Å; D331-T333 PolarHBondContact O-N 2.97Å; D331-T333 VanDerWaalsContact O-N 3.16Å; D331-T333 WeakPolarHBondContact OD1-CB 3.42Å; D331-T333 PolarHBondContact OD1-N 3.14Å; D331-T333 PolarHBondContact OD1-OG1 3.35Å; D331-T333 PolarHBondContact OD2-OG1 3.14Å; D331-R334 HydrophobicContact CB-CG 4Å; D331-R334 PolarHBondContact O-N 2.79Å; D331-N337 PolarHBondContact N-ND2 3.08Å; D331-N337 WeakPolarHBondContact O-CB 3.1Å; D331-N337 PolarHBondContact O-ND2 3.2Å
332	I	98.3	Very high	96.2	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.3	179.4	-161.2	167	0	0	0	112.9	V272 M296 G330 R334 I338 L379 C382 Q383	V272-I332 HydrophobicContact CB-CD1 4.01Å; V272-I332 HydrophobicContact CG2-CD1 3.97Å; M296-I332 HydrophobicContact CE-CB 4.1Å; M296-I332 HydrophobicContact CE-CD1 4.19Å; M296-I332 HydrophobicContact CE-CG1 3.73Å; G330-I332 PolarHBondContact O-N 3.31Å; G330-I332 VanDerWaalsContact O-N 3.16Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 2.93Å; I332-I338 VanDerWaalsContact O-CD1 3.27Å; I332-I338 WeakPolarHBondContact O-CD1 3.31Å; I332-I338 WeakPolarHBondContact O-CG1 3.42Å; I332-L379 HydrophobicContact CG2-CD1 3.59Å; I332-C382 HydrophobicContact CG1-CB 4.17Å; I332-C382 HydrophobicContact CG2-CB 4.13Å; I332-Q383 HydrophobicContact CD1-CG 4.23Å
333	T	98.3	Very high	96.4	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.3	180	70.7	0	0	0	0	113	D331 Q378 N460 N464 R467	D331-T333 VanDerWaalsContact CG-OG1 3.27Å; D331-T333 PolarHBondContact O-N 2.97Å; D331-T333 VanDerWaalsContact O-N 3.16Å; D331-T333 WeakPolarHBondContact OD1-CB 3.42Å; D331-T333 PolarHBondContact OD1-N 3.14Å; D331-T333 PolarHBondContact OD1-OG1 3.35Å; D331-T333 PolarHBondContact OD2-OG1 3.14Å; T333-Q378 HydrophobicContact CG2-CG 4.09Å; T333-N460 PolarHBondContact O-ND2 2.89Å; T333-N460 PolarHBondContact O-OD1 3.23Å; T333-N464 PolarHBondContact O-ND2 3.31Å; T333-R467 PolarHBondContact OG1-NH2 3.14Å
334	R	98.6	Very high	96.6	Very high	78 Å²	78	36.9 Å²	36.9	29%	0.294	21%	0.206	S	C	.	.	S	Bend	trans	-84.5	125.1	179.4	-65.3	-174.9	59.8	-161.2	-13.1	111.9	E323 D329 D331 I332 E336 N337 I338	E323-R334 IonicContact OE2-NH2 2.73Å; D329-R334 IonicContact OD2-CZ 3.3Å; D329-R334 IonicContact OD2-NH1 3.01Å; D329-R334 PolarHBondContact OD2-NH1 3.1Å; D331-R334 HydrophobicContact CB-CG 4Å; D331-R334 PolarHBondContact O-N 2.79Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 2.93Å; R334-E336 VanDerWaalsContact C-N 3.25Å; R334-E336 IonicContact CZ-OE2 3.66Å; R334-E336 IonicContact NE-OE2 3.68Å; R334-E336 PolarHBondContact NE-OE2 3.25Å; R334-E336 IonicContact NH2-OE2 2.76Å; R334-E336 PolarHBondContact NH2-OE2 2.93Å; R334-E336 VanDerWaalsContact NH2-OE2 3.1Å; R334-E336 PolarHBondContact O-N 2.65Å; R334-N337 HydrophobicContact CB-CB 4.16Å; R334-N337 PolarHBondContact O-N 2.79Å; R334-N337 VanDerWaalsContact O-N 3.1Å; R334-I338 PolarHBondContact O-N 3.32Å; R334-I338 VanDerWaalsContact O-N 3.14Å
335	P	98.5	Very high	97	Very high	20 Å²	20	34.1 Å²	34.1	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-36.5	-179.9	-25.8	35	0	0	0	113.9	T339 F457 I461	P335-T339 WeakPolarHBondContact O-CB 3.37Å; P335-T339 PolarHBondContact O-N 3.29Å; P335-T339 PolarHBondContact O-OG1 2.76Å; P335-F457 HydrophobicContact CB-CE1 4.25Å; P335-F457 HydrophobicContact CB-CE2 4.2Å; P335-F457 HydrophobicContact CB-CZ 3.65Å; P335-I461 HydrophobicContact CB-CG1 4.35Å; P335-I461 HydrophobicContact CG-CG1 3.78Å
336	E	98.3	Very high	97.3	Very high	81 Å²	81	34.4 Å²	34.4	38%	0.379	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-41.7	178.4	-52.3	76.9	-126.2	0	0	111.4	E323 R334 T339 A340	E323-E336 HydrophobicContact CB-CB 4.24Å; R334-E336 VanDerWaalsContact C-N 3.25Å; R334-E336 IonicContact CZ-OE2 3.66Å; R334-E336 IonicContact NE-OE2 3.68Å; R334-E336 PolarHBondContact NE-OE2 3.25Å; R334-E336 IonicContact NH2-OE2 2.76Å; R334-E336 PolarHBondContact NH2-OE2 2.93Å; R334-E336 VanDerWaalsContact NH2-OE2 3.1Å; R334-E336 PolarHBondContact O-N 2.65Å; E336-T339 PolarHBondContact O-N 3.12Å; E336-A340 VanDerWaalsContact O-CB 3.28Å; E336-A340 WeakPolarHBondContact O-CB 3.35Å; E336-A340 PolarHBondContact O-N 2.92Å
337	N	98.5	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-42.9	179.7	-71.5	-13.9	0	0	0	112	M296 G322 E323 D329 D331 R334 T339 A340 F341	M296-N337 HydrophobicContact SD-CB 4.46Å; G322-N337 WeakPolarHBondContact CA-OD1 3.48Å; E323-N337 PolarHBondContact N-OD1 3.18Å; D329-N337 PolarHBondContact OD1-ND2 3.35Å; D331-N337 PolarHBondContact N-ND2 3.08Å; D331-N337 WeakPolarHBondContact O-CB 3.1Å; D331-N337 PolarHBondContact O-ND2 3.2Å; R334-N337 HydrophobicContact CB-CB 4.16Å; R334-N337 PolarHBondContact O-N 2.79Å; R334-N337 VanDerWaalsContact O-N 3.1Å; N337-T339 VanDerWaalsContact C-N 3.3Å; N337-T339 PolarHBondContact O-N 3.06Å; N337-A340 PolarHBondContact O-N 3.09Å; N337-F341 WeakPolarHBondContact O-CB 3.42Å; N337-F341 PolarHBondContact O-N 3.45Å
338	I	98.4	Very high	98	Very high	5 Å²	5	32 Å²	32	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-47.6	174.3	-62.9	173.2	0	0	0	109.7	I332 R334 R342 L385 F457	I332-I338 VanDerWaalsContact O-CD1 3.27Å; I332-I338 WeakPolarHBondContact O-CD1 3.31Å; I332-I338 WeakPolarHBondContact O-CG1 3.42Å; R334-I338 PolarHBondContact O-N 3.32Å; R334-I338 VanDerWaalsContact O-N 3.14Å; I338-R342 VanDerWaalsContact O-CB 3.25Å; I338-R342 WeakPolarHBondContact O-CB 3.3Å; I338-R342 PolarHBondContact O-N 2.98Å; I338-L385 HydrophobicContact CD1-CD2 3.71Å; I338-L385 HydrophobicContact CD1-CG 4.48Å; I338-L385 HydrophobicContact CG2-CG 4.48Å; I338-F457 HydrophobicContact CB-CE2 4.42Å; I338-F457 HydrophobicContact CG2-CD2 4.45Å; I338-F457 HydrophobicContact CG2-CE2 4.28Å
339	T	98.6	Very high	98	Very high	56 Å²	56	31.5 Å²	31.5	34%	0.344	16%	0.16	S	C	.	.	H	α-helix	trans	-64.5	-45.1	-179.6	-56.6	0	0	0	0	111.7	P335 E336 N337 R342 N343	P335-T339 WeakPolarHBondContact O-CB 3.37Å; P335-T339 PolarHBondContact O-N 3.29Å; P335-T339 PolarHBondContact O-OG1 2.76Å; E336-T339 PolarHBondContact O-N 3.12Å; N337-T339 VanDerWaalsContact C-N 3.3Å; N337-T339 PolarHBondContact O-N 3.06Å; T339-R342 PolarHBondContact O-N 2.72Å; T339-N343 VanDerWaalsContact O-CG 3.28Å; T339-N343 PolarHBondContact O-N 3.49Å; T339-N343 PolarHBondContact O-ND2 2.86Å
340	A	98.5	Very high	97.9	Very high	17 Å²	17	33.7 Å²	33.7	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-47.4	179	0	0	0	0	0	111.7	Y320 E336 N337 N343 F344	Y320-A340 HydrophobicContact CE1-CB 4.03Å; E336-A340 VanDerWaalsContact O-CB 3.28Å; E336-A340 WeakPolarHBondContact O-CB 3.35Å; E336-A340 PolarHBondContact O-N 2.92Å; N337-A340 PolarHBondContact O-N 3.09Å; A340-N343 PolarHBondContact O-N 2.9Å; A340-F344 WeakPolarHBondContact O-CB 3.2Å; A340-F344 PolarHBondContact O-N 3.38Å
341	F	98.6	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-41.2	177.9	-172.5	-116.6	0	0	0	111.8	A270 V272 F294 M296 Y320 N337 N343 F344 V345 T386 I390	A270-F341 HydrophobicContact CB-CZ 4.5Å; V272-F341 HydrophobicContact CG1-CD1 4.46Å; V272-F341 HydrophobicContact CG1-CE1 3.65Å; V272-F341 HydrophobicContact CG1-CZ 4.14Å; F294-F341 HydrophobicContact CB-CE2 4.27Å; F294-F341 HydrophobicContact CB-CZ 4.2Å; M296-F341 HydrophobicContact CB-CD1 4.41Å; M296-F341 HydrophobicContact CB-CD2 3.99Å; M296-F341 HydrophobicContact CB-CE1 4.33Å; M296-F341 HydrophobicContact CB-CE2 3.9Å; M296-F341 HydrophobicContact CB-CG 4.24Å; M296-F341 HydrophobicContact CB-CZ 4.07Å; M296-F341 HydrophobicContact CE-CB 4.02Å; M296-F341 HydrophobicContact CE-CD1 3.97Å; M296-F341 HydrophobicContact CE-CG 4.04Å; M296-F341 HydrophobicContact SD-CB 3.8Å; M296-F341 HydrophobicContact SD-CD1 4.49Å; M296-F341 HydrophobicContact SD-CD2 4.34Å; M296-F341 HydrophobicContact SD-CG 3.98Å; Y320-F341 HydrophobicContact CD1-CB 4.36Å; Y320-F341 AromaticContact CD1-CD2 3.87Å; Y320-F341 HydrophobicContact CD1-CD2 3.87Å; Y320-F341 HydrophobicContact CG-CD2 4.32Å; N337-F341 WeakPolarHBondContact O-CB 3.42Å; N337-F341 PolarHBondContact O-N 3.45Å; F341-N343 PolarHBondContact O-N 3.42Å; F341-F344 HydrophobicContact CD2-CD1 4.32Å; F341-F344 HydrophobicContact CE2-CD1 4.45Å; F341-F344 PolarHBondContact O-N 3.11Å; F341-V345 HydrophobicContact CD1-CG2 4.38Å; F341-V345 HydrophobicContact CD2-CG2 4.33Å; F341-V345 HydrophobicContact CE1-CG2 4.07Å; F341-V345 HydrophobicContact CE2-CG2 4.03Å; F341-V345 HydrophobicContact CZ-CG2 3.89Å; F341-V345 WeakPolarHBondContact O-CG2 3.36Å; F341-V345 PolarHBondContact O-N 3.48Å; F341-T386 HydrophobicContact CD1-CG2 4.32Å; F341-T386 HydrophobicContact CE1-CG2 4.45Å; F341-I390 HydrophobicContact CD1-CD1 4.23Å; F341-I390 HydrophobicContact CE1-CD1 3.68Å
342	R	98.6	Very high	97.9	Very high	69 Å²	69	44.9 Å²	44.9	26%	0.26	22%	0.215	S	C	.	.	H	α-helix	trans	-55.3	-52.6	172.8	175	-176.4	-178.7	-98.5	8.9	111.8	I338 T339 F344 V345 L346 S389 I390	I338-R342 VanDerWaalsContact O-CB 3.25Å; I338-R342 WeakPolarHBondContact O-CB 3.3Å; I338-R342 PolarHBondContact O-N 2.98Å; T339-R342 PolarHBondContact O-N 2.72Å; R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 PolarHBondContact O-N 3.33Å; R342-V345 PolarHBondContact O-N 3.3Å; R342-L346 HydrophobicContact CG-CD1 3.88Å; R342-L346 HydrophobicContact CG-CG 4.43Å; R342-L346 WeakPolarHBondContact O-CB 3.37Å; R342-L346 VanDerWaalsContact O-CG 3.3Å; R342-L346 WeakPolarHBondContact O-CG 3.32Å; R342-L346 PolarHBondContact O-N 3.21Å; R342-S389 PolarHBondContact NE-O 3.08Å; R342-I390 HydrophobicContact CB-CG2 3.98Å; R342-I390 HydrophobicContact CG-CG2 4.1Å
343	N	98.4	Very high	97.9	Very high	60 Å²	60	44.6 Å²	44.6	32%	0.321	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-45.5	-178.6	-70.6	-23.7	0	0	0	111.2	T339 A340 F341 V345 L346 D347	T339-N343 VanDerWaalsContact O-CG 3.28Å; T339-N343 PolarHBondContact O-N 3.49Å; T339-N343 PolarHBondContact O-ND2 2.86Å; A340-N343 PolarHBondContact O-N 2.9Å; F341-N343 PolarHBondContact O-N 3.42Å; N343-V345 PolarHBondContact O-N 2.81Å; N343-L346 PolarHBondContact O-N 2.74Å; N343-D347 WeakPolarHBondContact O-CB 3.38Å; N343-D347 PolarHBondContact O-N 2.85Å
344	F	98.3	Very high	97.9	Very high	16 Å²	16	44.1 Å²	44.1	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-48.4	176.4	171.2	-110	0	0	0	112.2	F294 E318 Y320 A340 F341 R342 D347 N348	F294-F344 HydrophobicContact CB-CE1 4.41Å; F294-F344 AromaticContact CD1-CE1 3.64Å; F294-F344 HydrophobicContact CD1-CE1 3.64Å; F294-F344 AromaticContact CD1-CZ 3.99Å; F294-F344 HydrophobicContact CD1-CZ 3.99Å; F294-F344 HydrophobicContact CE1-CE1 4.36Å; F294-F344 HydrophobicContact CE1-CZ 4.36Å; F294-F344 HydrophobicContact CG-CE1 4.38Å; E318-F344 HydrophobicContact CG-CZ 3.88Å; Y320-F344 HydrophobicContact CD1-CB 4.34Å; Y320-F344 HydrophobicContact CD1-CD1 4.22Å; Y320-F344 HydrophobicContact CD1-CG 4.36Å; Y320-F344 HydrophobicContact CD2-CB 4.27Å; Y320-F344 AromaticContact CD2-CD1 3.79Å; Y320-F344 HydrophobicContact CD2-CD1 3.79Å; Y320-F344 AromaticContact CD2-CD2 3.85Å; Y320-F344 HydrophobicContact CD2-CD2 3.85Å; Y320-F344 HydrophobicContact CD2-CE1 4.06Å; Y320-F344 HydrophobicContact CD2-CE2 4.13Å; Y320-F344 AromaticContact CD2-CG 3.68Å; Y320-F344 HydrophobicContact CD2-CG 3.68Å; Y320-F344 HydrophobicContact CD2-CZ 4.24Å; Y320-F344 HydrophobicContact CE1-CB 4.12Å; Y320-F344 HydrophobicContact CE1-CG 4.5Å; Y320-F344 HydrophobicContact CE2-CB 4.05Å; Y320-F344 HydrophobicContact CE2-CD1 4.4Å; Y320-F344 AromaticContact CE2-CD2 3.89Å; Y320-F344 HydrophobicContact CE2-CD2 3.89Å; Y320-F344 AromaticContact CE2-CG 3.84Å; Y320-F344 HydrophobicContact CE2-CG 3.84Å; Y320-F344 HydrophobicContact CG-CB 4.4Å; Y320-F344 AromaticContact CG-CD1 3.68Å; Y320-F344 HydrophobicContact CG-CD1 3.68Å; Y320-F344 HydrophobicContact CG-CE1 4.06Å; Y320-F344 AromaticContact CG-CG 3.95Å; Y320-F344 HydrophobicContact CG-CG 3.95Å; A340-F344 WeakPolarHBondContact O-CB 3.2Å; A340-F344 PolarHBondContact O-N 3.38Å; F341-F344 HydrophobicContact CD2-CD1 4.32Å; F341-F344 HydrophobicContact CE2-CD1 4.45Å; F341-F344 PolarHBondContact O-N 3.11Å; R342-F344 VanDerWaalsContact C-N 3.35Å; R342-F344 PolarHBondContact O-N 3.33Å; F344-D347 PolarHBondContact O-N 3.4Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.28Å; F344-N348 VanDerWaalsContact CE2-ND2 3.3Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.49Å; F344-N348 PolarHBondContact O-N 2.98Å; F344-N348 PolarHBondContact O-ND2 3.32Å
345	V	98.6	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-45.1	178.9	171.5	0	0	0	0	111.3	F294 F341 R342 N343 D347 N348 T349 V354 I390	F294-V345 HydrophobicContact CB-CG2 4.02Å; F294-V345 HydrophobicContact CD2-CG1 4.37Å; F294-V345 HydrophobicContact CD2-CG2 4.32Å; F294-V345 HydrophobicContact CG-CG2 4.17Å; F341-V345 HydrophobicContact CD1-CG2 4.38Å; F341-V345 HydrophobicContact CD2-CG2 4.33Å; F341-V345 HydrophobicContact CE1-CG2 4.07Å; F341-V345 HydrophobicContact CE2-CG2 4.03Å; F341-V345 HydrophobicContact CZ-CG2 3.89Å; F341-V345 WeakPolarHBondContact O-CG2 3.36Å; F341-V345 PolarHBondContact O-N 3.48Å; R342-V345 PolarHBondContact O-N 3.3Å; N343-V345 PolarHBondContact O-N 2.81Å; V345-D347 PolarHBondContact O-N 3.26Å; V345-N348 PolarHBondContact O-N 2.65Å; V345-T349 HydrophobicContact CG1-CG2 4.28Å; V345-T349 WeakPolarHBondContact O-CB 2.93Å; V345-T349 VanDerWaalsContact O-CG2 3.3Å; V345-T349 WeakPolarHBondContact O-CG2 3.31Å; V345-T349 PolarHBondContact O-N 3.35Å; V345-T349 VanDerWaalsContact O-N 3.15Å; V345-T349 PolarHBondContact O-OG1 2.88Å; V345-V354 HydrophobicContact CG1-CG1 3.67Å; V345-I390 HydrophobicContact CB-CB 4.43Å; V345-I390 HydrophobicContact CB-CG2 4.35Å; V345-I390 HydrophobicContact CG1-CB 4.04Å; V345-I390 HydrophobicContact CG1-CD1 4.49Å; V345-I390 HydrophobicContact CG1-CG2 4.49Å; V345-I390 HydrophobicContact CG2-CD1 4.33Å
346	L	98.4	Very high	97.9	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-41	-179.7	-68.9	176.9	0	0	0	112.3	R342 N343 N348 T349 R351	R342-L346 HydrophobicContact CG-CD1 3.88Å; R342-L346 HydrophobicContact CG-CG 4.43Å; R342-L346 WeakPolarHBondContact O-CB 3.37Å; R342-L346 VanDerWaalsContact O-CG 3.3Å; R342-L346 WeakPolarHBondContact O-CG 3.32Å; R342-L346 PolarHBondContact O-N 3.21Å; N343-L346 PolarHBondContact O-N 2.74Å; L346-N348 PolarHBondContact O-N 3.4Å; L346-T349 PolarHBondContact O-N 3.03Å; L346-R351 VanDerWaalsContact O-CA 3.26Å; L346-R351 WeakPolarHBondContact O-CA 3.36Å; L346-R351 PolarHBondContact O-N 3.4Å
347	D	97.3	Very high	98	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	17%	0.173	S	C	*	.	H	α-helix	trans	-64.5	-25.3	178.4	-69.4	-14.7	0	0	0	112.5	N343 F344 V345 R351	N343-D347 WeakPolarHBondContact O-CB 3.38Å; N343-D347 PolarHBondContact O-N 2.85Å; F344-D347 PolarHBondContact O-N 3.4Å; V345-D347 PolarHBondContact O-N 3.26Å; D347-R351 IonicContact OD1-CZ 2.7Å; D347-R351 IonicContact OD1-NH1 3.22Å; D347-R351 PolarHBondContact OD1-NH1 2.89Å
348	N	96.4	Very high	98	Very high	35 Å²	35	35.7 Å²	35.7	19%	0.187	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.9	-178.6	-70.2	-71.4	0	0	0	114.4	F294 F344 V345 L346 P689	F294-N348 HydrophobicContact CE1-CB 3.78Å; F294-N348 HydrophobicContact CZ-CB 3.76Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.28Å; F344-N348 VanDerWaalsContact CE2-ND2 3.3Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.49Å; F344-N348 PolarHBondContact O-N 2.98Å; F344-N348 PolarHBondContact O-ND2 3.32Å; V345-N348 PolarHBondContact O-N 2.65Å; L346-N348 PolarHBondContact O-N 3.4Å; N348-P689 VanDerWaalsContact OD1-CG 3.23Å; N348-P689 WeakPolarHBondContact OD1-CG 3.29Å
349	T	96.4	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	30.7	-178.5	56.3	0	0	0	0	112.3	Y268 F294 V345 L346 R351 K352 G353 V354	Y268-T349 HydrophobicContact CD1-CG2 3.81Å; Y268-T349 HydrophobicContact CD2-CG2 4.23Å; Y268-T349 HydrophobicContact CE1-CG2 4.31Å; Y268-T349 HydrophobicContact CG-CG2 3.74Å; F294-T349 HydrophobicContact CE2-CG2 3.64Å; F294-T349 HydrophobicContact CZ-CG2 4.04Å; V345-T349 HydrophobicContact CG1-CG2 4.28Å; V345-T349 WeakPolarHBondContact O-CB 2.93Å; V345-T349 VanDerWaalsContact O-CG2 3.3Å; V345-T349 WeakPolarHBondContact O-CG2 3.31Å; V345-T349 PolarHBondContact O-N 3.35Å; V345-T349 VanDerWaalsContact O-N 3.15Å; V345-T349 PolarHBondContact O-OG1 2.88Å; L346-T349 PolarHBondContact O-N 3.03Å; T349-R351 PolarHBondContact O-N 3.43Å; T349-R351 VanDerWaalsContact O-N 3.17Å; T349-K352 WeakPolarHBondContact O-CB 3.41Å; T349-K352 PolarHBondContact O-N 3.1Å; T349-G353 WeakPolarHBondContact OG1-CA 3.48Å; T349-G353 PolarHBondContact OG1-N 3.25Å; T349-V354 HydrophobicContact CG2-CG1 4.4Å
350	D	95.1	Very high	97.8	Very high	101 Å²	101	34 Å²	34	54%	0.54	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.6	-179.6	-52.4	-44.1	0	0	0	112	K352 K684	D350-K352 PolarHBondContact O-N 2.75Å; D350-K352 VanDerWaalsContact O-N 3.16Å; D350-K684 IonicContact OD1-NZ 2.67Å; D350-K684 IonicContact OD2-NZ 3.15Å; D350-K684 PolarHBondContact OD2-NZ 3.42Å
351	R	97.5	Very high	97.4	Very high	144 Å²	144	33.3 Å²	33.3	54%	0.543	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	14.4	-176.7	-52.9	-66	-64	176.2	2.3	115	L346 D347 T349	L346-R351 VanDerWaalsContact O-CA 3.26Å; L346-R351 WeakPolarHBondContact O-CA 3.36Å; L346-R351 PolarHBondContact O-N 3.4Å; D347-R351 IonicContact OD1-CZ 2.7Å; D347-R351 IonicContact OD1-NH1 3.22Å; D347-R351 PolarHBondContact OD1-NH1 2.89Å; T349-R351 PolarHBondContact O-N 3.43Å; T349-R351 VanDerWaalsContact O-N 3.17Å
352	K	96.7	Very high	96.9	Very high	123 Å²	123	33.5 Å²	33.5	54%	0.535	16%	0.158	S	C	.	.	S	Bend	trans	-90.9	-30	179.1	-62.5	-179.5	-178.2	177.6	0	113.5	T349 D350 R392	T349-K352 WeakPolarHBondContact O-CB 3.41Å; T349-K352 PolarHBondContact O-N 3.1Å; D350-K352 PolarHBondContact O-N 2.75Å; D350-K352 VanDerWaalsContact O-N 3.16Å; K352-R392 VanDerWaalsContact O-CA 3.24Å; K352-R392 WeakPolarHBondContact O-CA 3.36Å; K352-R392 WeakPolarHBondContact O-CB 3.42Å
353	G	98.2	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.			trans	92	178.6	-168.8	0	0	0	0	0	113.5	T349 I390 R392	T349-G353 WeakPolarHBondContact OG1-CA 3.48Å; T349-G353 PolarHBondContact OG1-N 3.25Å; G353-I390 CarbonylContact C-O 3.6Å; G353-I390 WeakPolarHBondContact CA-O 3.08Å; G353-R392 PolarHBondContact O-NE 3.13Å; G353-R392 VanDerWaalsContact O-NE 3.1Å; G353-R392 PolarHBondContact O-NH2 3.08Å
354	V	98.7	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	156.1	-178.7	-64.7	0	0	0	0	111.9	A270 F294 V345 T349 F356 I390 V391 R392	A270-V354 HydrophobicContact CB-CG1 4.07Å; A270-V354 HydrophobicContact CB-CG2 4.16Å; F294-V354 HydrophobicContact CD2-CG1 3.93Å; F294-V354 HydrophobicContact CE2-CG1 4.21Å; V345-V354 HydrophobicContact CG1-CG1 3.67Å; T349-V354 HydrophobicContact CG2-CG1 4.4Å; V354-F356 VanDerWaalsContact C-N 3.31Å; V354-F356 VanDerWaalsContact CG2-O 3.26Å; V354-F356 WeakPolarHBondContact CG2-O 3.38Å; V354-I390 HydrophobicContact CG2-CG1 4.19Å; V354-I390 PolarHBondContact N-O 2.98Å; V354-V391 HydrophobicContact CG2-CG2 4.21Å; V354-R392 VanDerWaalsContact O-CG 3.26Å; V354-R392 WeakPolarHBondContact O-CG 3.34Å; V354-R392 PolarHBondContact O-N 3.16Å
355	H	98.6	Very high	95.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-35.7	173.6	-64.7	87.2	0	0	0	111.4	P250 E265 L266 L267 Y268 R392 G395 H396	P250-H355 HydrophobicContact CG-CB 4.36Å; E265-H355 IonicContact OE1-NE2 3.75Å; L266-H355 PolarHBondContact O-CE1 3.5Å; L267-H355 HydrophobicContact CD1-CB 3.95Å; Y268-H355 PolarHBondContact N-ND1 3.4Å; Y268-H355 VanDerWaalsContact N-ND1 3.1Å; Y268-H355 WeakPolarHBondContact O-CB 3.09Å; Y268-H355 PolarHBondContact O-N 3.3Å; Y268-H355 PolarHBondContact O-ND1 2.82Å; H355-R392 PolarHBondContact CD2-NH1 2.64Å; H355-R392 PolarHBondContact CE1-NH1 2.9Å; H355-R392 PolarHBondContact CE1-NH2 2.61Å; H355-R392 PolarHBondContact NE2-NH1 3.46Å; H355-G395 CarbonylContact O-C 3.6Å; H355-G395 WeakPolarHBondContact O-CA 3.43Å; H355-H396 PolarHBondContact O-N 3.06Å
356	F	98.9	Very high	95	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.7	172.7	65.4	-82	0	0	0	112.2	F247 L267 F269 A270 V283 V354 M358 H396	F247-F356 HydrophobicContact CB-CD1 4.27Å; F247-F356 HydrophobicContact CB-CD2 4.05Å; F247-F356 HydrophobicContact CB-CE1 4.19Å; F247-F356 HydrophobicContact CB-CE2 3.94Å; F247-F356 HydrophobicContact CB-CG 4.21Å; F247-F356 HydrophobicContact CB-CZ 4.01Å; F247-F356 HydrophobicContact CD1-CB 4.05Å; F247-F356 AromaticContact CD1-CD2 3.76Å; F247-F356 HydrophobicContact CD1-CD2 3.76Å; F247-F356 HydrophobicContact CD1-CE2 4.4Å; F247-F356 AromaticContact CD1-CG 3.93Å; F247-F356 HydrophobicContact CD1-CG 3.93Å; F247-F356 HydrophobicContact CG-CD2 4.32Å; F247-F356 VanDerWaalsContact O-CD1 3.31Å; F247-F356 WeakPolarHBondContact O-CD1 3.12Å; F247-F356 WeakPolarHBondContact O-CE1 3.19Å; L267-F356 HydrophobicContact CD1-CD1 4.44Å; L267-F356 HydrophobicContact CD1-CE1 4.02Å; L267-F356 HydrophobicContact CD2-CE1 4.02Å; L267-F356 HydrophobicContact CG-CE1 4.11Å; F269-F356 WeakPolarHBondContact CA-O 3.31Å; F269-F356 HydrophobicContact CB-CD1 4.08Å; F269-F356 HydrophobicContact CB-CD2 4.17Å; F269-F356 HydrophobicContact CB-CE1 3.55Å; F269-F356 HydrophobicContact CB-CE2 3.68Å; F269-F356 HydrophobicContact CB-CG 4.36Å; F269-F356 HydrophobicContact CB-CZ 3.35Å; F269-F356 HydrophobicContact CG-CE1 4.49Å; F269-F356 HydrophobicContact CG-CE2 4.35Å; F269-F356 AromaticContact CG-CZ 3.97Å; F269-F356 HydrophobicContact CG-CZ 3.97Å; A270-F356 PolarHBondContact N-O 3.31Å; V283-F356 HydrophobicContact CG1-CZ 3.99Å; V283-F356 HydrophobicContact CG2-CE2 4.21Å; V283-F356 HydrophobicContact CG2-CZ 3.97Å; V354-F356 VanDerWaalsContact C-N 3.31Å; V354-F356 VanDerWaalsContact CG2-O 3.26Å; V354-F356 WeakPolarHBondContact CG2-O 3.38Å; F356-M358 HydrophobicContact CD2-CG 3.8Å; F356-M358 HydrophobicContact CD2-SD 4.43Å; F356-M358 HydrophobicContact CE2-CE 4.12Å; F356-M358 HydrophobicContact CE2-CG 3.7Å; F356-M358 HydrophobicContact CE2-SD 3.73Å; F356-H396 CarbonylContact C-O 3.19Å; F356-H396 WeakPolarHBondContact CA-O 3.39Å; F356-H396 HydrophobicContact CB-CB 4.01Å; F356-H396 WeakPolarHBondContact CB-O 3.46Å
357	L	98.9	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	170.6	172	67.7	0	0	0	109.2	A270 V272 T386 A387 I390 V391 H396 F397 V398	A270-L357 HydrophobicContact CB-CD1 3.5Å; A270-L357 VanDerWaalsContact CB-CD1 3.5Å; V272-L357 HydrophobicContact CB-CD1 4.44Å; V272-L357 HydrophobicContact CG1-CD1 3.88Å; V272-L357 HydrophobicContact CG2-CD1 3.93Å; V272-L357 HydrophobicContact CG2-CD2 4.43Å; L357-T386 HydrophobicContact CD2-CG2 4.15Å; L357-A387 HydrophobicContact CD2-CB 3.73Å; L357-I390 HydrophobicContact CD1-CD1 4.24Å; L357-V391 HydrophobicContact CB-CG2 3.63Å; L357-H396 PolarHBondContact N-O 2.95Å; L357-H396 VanDerWaalsContact N-O 3.09Å; L357-F397 HydrophobicContact CB-CD2 3.89Å; L357-F397 HydrophobicContact CB-CE2 4.43Å; L357-F397 HydrophobicContact CD2-CD2 3.86Å; L357-F397 HydrophobicContact CD2-CE2 3.63Å; L357-F397 HydrophobicContact CG-CD2 3.87Å; L357-F397 HydrophobicContact CG-CE2 3.9Å; L357-F397 WeakPolarHBondContact O-CA 3.25Å; L357-F397 WeakPolarHBondContact O-CD2 3.48Å; L357-V398 PolarHBondContact O-N 3.5Å
358	M	98.8	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.5	166	-48.3	171.3	-69	0	0	109.2	M236 F269 A270 D271 V272 F279 V283 F356 V398	M236-M358 HydrophobicContact CE-CG 4.06Å; M236-M358 HydrophobicContact CE-SD 3.56Å; M236-M358 VanDerWaalsContact CE-SD 3.56Å; M236-M358 HydrophobicContact CG-SD 3.88Å; M236-M358 HydrophobicContact SD-CG 4.2Å; M236-M358 HydrophobicContact SD-SD 3.83Å; F269-M358 HydrophobicContact CD2-CE 3.64Å; F269-M358 HydrophobicContact CE2-CE 3.87Å; A270-M358 PolarHBondContact O-N 3.36Å; D271-M358 WeakPolarHBondContact CA-O 3.26Å; D271-M358 HydrophobicContact CB-CE 3.99Å; V272-M358 PolarHBondContact N-O 3.13Å; F279-M358 HydrophobicContact CB-CE 3.87Å; F279-M358 HydrophobicContact CB-SD 3.88Å; F279-M358 HydrophobicContact CD2-CB 3.74Å; F279-M358 HydrophobicContact CD2-CG 4.46Å; F279-M358 HydrophobicContact CD2-SD 4.19Å; F279-M358 HydrophobicContact CE2-CB 4.38Å; F279-M358 HydrophobicContact CG-SD 4.39Å; V283-M358 HydrophobicContact CG2-CE 3.91Å; V283-M358 HydrophobicContact CG2-SD 3.9Å; F356-M358 HydrophobicContact CD2-CG 3.8Å; F356-M358 HydrophobicContact CD2-SD 4.43Å; F356-M358 HydrophobicContact CE2-CE 4.12Å; F356-M358 HydrophobicContact CE2-CG 3.7Å; F356-M358 HydrophobicContact CE2-SD 3.73Å; M358-V398 CarbonylContact C-O 3.47Å; M358-V398 WeakPolarHBondContact CA-O 3.19Å; M358-V398 HydrophobicContact CB-CG1 3.96Å; M358-V398 HydrophobicContact CG-CG1 3.76Å
359	A	98.3	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121.2	179.4	0	0	0	0	0	110.1	V272 Q383 F397 V398 C399 K400	V272-A359 HydrophobicContact CG2-CB 3.61Å; V272-A359 WeakPolarHBondContact O-CA 3.35Å; A359-Q383 HydrophobicContact CB-CB 4.01Å; A359-Q383 HydrophobicContact CB-CG 3.99Å; A359-F397 HydrophobicContact CB-CE2 3.94Å; A359-F397 HydrophobicContact CB-CZ 4.42Å; A359-V398 PolarHBondContact N-O 2.97Å; A359-C399 HydrophobicContact CB-CB 4.33Å; A359-C399 CarbonylContact O-C 3.57Å; A359-C399 WeakPolarHBondContact O-CA 3.34Å; A359-K400 PolarHBondContact O-N 3.48Å
360	D	94.9	Very high	93.7	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	23%	0.234	C	C	.	.			trans	-125.4	35.6	-175.5	-162.2	30	0	0	0	112	V272 C273 F279 K400 Y439	V272-D360 PolarHBondContact O-N 3.38Å; C273-D360 CarbonylContact O-C 3.56Å; F279-D360 HydrophobicContact CD2-CB 4.15Å; F279-D360 HydrophobicContact CE2-CB 3.69Å; F279-D360 HydrophobicContact CZ-CB 3.97Å; D360-K400 VanDerWaalsContact CG-NZ 3.31Å; D360-K400 VanDerWaalsContact O-CE 3.31Å; D360-K400 WeakPolarHBondContact O-CE 3.03Å; D360-K400 PolarHBondContact O-NZ 3.43Å; D360-K400 WeakPolarHBondContact OD1-CB 3.34Å; D360-K400 WeakPolarHBondContact OD1-CD 3.28Å; D360-K400 WeakPolarHBondContact OD1-CE 3.32Å; D360-K400 IonicContact OD1-NZ 3.51Å; D360-K400 PolarHBondContact OD1-NZ 2.75Å; D360-K400 IonicContact OD2-NZ 2.8Å; D360-Y439 PolarHBondContact OD1-OH 3.22Å; D360-Y439 VanDerWaalsContact OD1-OH 3.13Å
361	G	90.1	Very high	93.7	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	22%	0.216	C	C	.	.			trans	-66.2	133.9	-176.7	0	0	0	0	0	114	K400	G361-K400 WeakPolarHBondContact O-CE 3.45Å
362	G	88.6	Confident	93.7	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	20%	0.196	C	C	.	.			trans	-171.3	153.1	172	0	0	0	0	0	110.5	L27	L27-G362 WeakPolarHBondContact CD2-O 3Å
363	F	89.1	Confident	93.7	Very high	28 Å²	28	30.5 Å²	30.5	12%	0.123	17%	0.171	C	C	.	.			trans	-131	164.9	174.1	49.1	-84.7	0	0	0	110.2	L27 V365 L375 L379	L27-F363 HydrophobicContact CD2-CB 4.02Å; L27-F363 HydrophobicContact CD2-CD1 4.32Å; F363-V365 HydrophobicContact CD2-CG1 3.95Å; F363-V365 HydrophobicContact CE2-CG1 3.74Å; F363-V365 PolarHBondContact O-N 2.73Å; F363-L375 HydrophobicContact CE2-CB 4.11Å; F363-L375 HydrophobicContact CZ-CB 3.95Å; F363-L375 WeakPolarHBondContact CZ-O 3.26Å; F363-L379 HydrophobicContact CD1-CD2 4.17Å; F363-L379 HydrophobicContact CE1-CD2 4.35Å
364	S	87.4	Confident	93.7	Very high	55 Å²	55	31.3 Å²	31.3	39%	0.385	18%	0.175	S	C	.	.			trans	-65	132.5	175.6	-164.8	0	0	0	0	110.1	S28	S28-S364 WeakPolarHBondContact OG-CA 3.08Å; S28-S364 WeakPolarHBondContact OG-CB 3.32Å; S28-S364 PolarHBondContact OG-N 3.25Å; S28-S364 VanDerWaalsContact OG-N 3.15Å
365	V	90.4	Very high	93.6	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.097	19%	0.19	C	C	.	.			trans	-124.2	32.3	174.3	-67.1	0	0	0	0	109.8	F363 G367 Q368 E369 Q372 L375	F363-V365 HydrophobicContact CD2-CG1 3.95Å; F363-V365 HydrophobicContact CE2-CG1 3.74Å; F363-V365 PolarHBondContact O-N 2.73Å; V365-G367 PolarHBondContact O-N 3.02Å; V365-Q368 CarbonylContact O-C 3.56Å; V365-Q368 VanDerWaalsContact O-C 3.27Å; V365-Q368 WeakPolarHBondContact O-CA 3.45Å; V365-Q368 PolarHBondContact O-N 3.2Å; V365-E369 PolarHBondContact O-N 3.1Å; V365-Q372 HydrophobicContact CG1-CG 4.22Å; V365-Q372 HydrophobicContact CG2-CB 3.95Å; V365-Q372 HydrophobicContact CG2-CG 3.85Å; V365-L375 HydrophobicContact CB-CD1 4.25Å; V365-L375 HydrophobicContact CG1-CB 4.45Å; V365-L375 HydrophobicContact CG1-CD1 3.76Å
366	E	87	Confident	93.6	Very high	168 Å²	168	34.4 Å²	34.4	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	124.5	-176.9	-172.5	176.6	178.1	0	0	111.3	Q368 E369	E366-Q368 VanDerWaalsContact C-N 3.31Å; E366-E369 WeakPolarHBondContact CA-OE1 3.45Å
367	G	85.6	Confident	93.5	Very high	63 Å²	63	35.4 Å²	35.4	65%	0.649	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	1.4	-176.5	0	0	0	0	0	115.3	V365 E369	V365-G367 PolarHBondContact O-N 3.02Å; G367-E369 WeakPolarHBondContact CA-OE2 3.34Å; G367-E369 PolarHBondContact N-OE1 3.04Å; G367-E369 PolarHBondContact N-OE2 2.89Å
368	Q	91.4	Very high	93.5	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	20%	0.202	S	C	.	.			trans	-141.6	35.5	176.6	-61.7	-173	-9.6	0	0	111.7	V365 E366 N370 L371 L375	V365-Q368 CarbonylContact O-C 3.56Å; V365-Q368 VanDerWaalsContact O-C 3.27Å; V365-Q368 WeakPolarHBondContact O-CA 3.45Å; V365-Q368 PolarHBondContact O-N 3.2Å; E366-Q368 VanDerWaalsContact C-N 3.31Å; Q368-N370 PolarHBondContact O-N 2.87Å; Q368-L371 HydrophobicContact CB-CD1 4.48Å; Q368-L371 PolarHBondContact O-N 3.31Å; Q368-L375 HydrophobicContact CB-CD1 4.41Å
369	E	90.6	Very high	93.5	Very high	79 Å²	79	37.4 Å²	37.4	37%	0.369	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.8	-36.2	-173	-68.2	76	-172.2	0	0	112.4	V365 E366 G367 L371 Q372	V365-E369 PolarHBondContact O-N 3.1Å; E366-E369 WeakPolarHBondContact CA-OE1 3.45Å; G367-E369 WeakPolarHBondContact CA-OE2 3.34Å; G367-E369 PolarHBondContact N-OE1 3.04Å; G367-E369 PolarHBondContact N-OE2 2.89Å; E369-L371 PolarHBondContact O-N 2.93Å; E369-Q372 WeakPolarHBondContact O-CB 3.45Å; E369-Q372 PolarHBondContact O-N 3.09Å
370	N	93.2	Very high	93.5	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.16	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.3	-21.5	176.6	-71.9	-16.6	0	0	0	113.2	I180 L196 K199 S200 Q368	I180-N370 HydrophobicContact CG2-CB 4.33Å; L196-N370 HydrophobicContact CD2-CB 3.85Å; K199-N370 WeakPolarHBondContact CB-OD1 3.48Å; K199-N370 WeakPolarHBondContact CD-OD1 3.48Å; S200-N370 PolarHBondContact OG-ND2 3.22Å; Q368-N370 PolarHBondContact O-N 2.87Å
371	L	95.9	Very high	93.7	Very high	31 Å²	31	36.5 Å²	36.5	16%	0.162	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-97.1	7.9	-179.6	-58.6	178.2	0	0	0	113	M178 I180 Q368 E369 E373 I374 L375	M178-L371 HydrophobicContact CE-CD1 4.2Å; I180-L371 HydrophobicContact CB-CD2 4.33Å; I180-L371 HydrophobicContact CG2-CD2 4.28Å; Q368-L371 HydrophobicContact CB-CD1 4.48Å; Q368-L371 PolarHBondContact O-N 3.31Å; E369-L371 PolarHBondContact O-N 2.93Å; L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 PolarHBondContact O-N 3.41Å; L371-I374 HydrophobicContact CD2-CD1 4.21Å; L371-I374 PolarHBondContact O-N 3.03Å; L371-I374 VanDerWaalsContact O-N 3.14Å; L371-L375 HydrophobicContact CB-CD1 4.09Å; L371-L375 HydrophobicContact CB-CG 4.26Å; L371-L375 WeakPolarHBondContact O-CB 3.03Å; L371-L375 WeakPolarHBondContact O-CG 3.31Å; L371-L375 PolarHBondContact O-N 2.99Å
372	Q	96	Very high	94.1	Very high	27 Å²	27	36.4 Å²	36.4	13%	0.126	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-39.5	-174.8	-168.4	169.5	43.8	0	0	113.3	V365 E369 S376 F402	V365-Q372 HydrophobicContact CG1-CG 4.22Å; V365-Q372 HydrophobicContact CG2-CB 3.95Å; V365-Q372 HydrophobicContact CG2-CG 3.85Å; E369-Q372 WeakPolarHBondContact O-CB 3.45Å; E369-Q372 PolarHBondContact O-N 3.09Å; Q372-S376 VanDerWaalsContact O-CB 3.27Å; Q372-S376 WeakPolarHBondContact O-CB 3.25Å; Q372-S376 PolarHBondContact O-N 3.49Å; Q372-S376 PolarHBondContact O-OG 3.32Å; Q372-F402 HydrophobicContact CG-CB 4.42Å; Q372-F402 HydrophobicContact CG-CD1 4.15Å; Q372-F402 HydrophobicContact CG-CD2 3.71Å; Q372-F402 HydrophobicContact CG-CE1 4.33Å; Q372-F402 HydrophobicContact CG-CE2 3.91Å; Q372-F402 HydrophobicContact CG-CG 3.82Å; Q372-F402 HydrophobicContact CG-CZ 4.2Å; Q372-F402 VanDerWaalsContact OE1-CE1 3.3Å
373	E	97.8	Very high	94.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-53.4	176.4	-179.7	-179.5	170.9	0	0	111.2	L371 L375 S376 K377 D403 L404 F405 T406 S409	L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 PolarHBondContact O-N 3.41Å; E373-L375 PolarHBondContact O-N 3.11Å; E373-S376 PolarHBondContact O-N 3.13Å; E373-S376 PolarHBondContact O-OG 3.33Å; E373-K377 PolarHBondContact O-N 3.5Å; E373-K377 VanDerWaalsContact O-N 3.13Å; E373-D403 HydrophobicContact CB-CB 4.22Å; E373-D403 VanDerWaalsContact CG-O 3.32Å; E373-D403 WeakPolarHBondContact CG-O 3.24Å; E373-D403 VanDerWaalsContact OE2-C 3.27Å; E373-D403 WeakPolarHBondContact OE2-CB 3.4Å; E373-L404 PolarHBondContact OE2-N 3.26Å; E373-F405 PolarHBondContact OE1-N 2.74Å; E373-F405 PolarHBondContact OE2-N 3.19Å; E373-T406 HydrophobicContact CG-CG2 4.34Å; E373-T406 VanDerWaalsContact OE1-CB 3.31Å; E373-T406 WeakPolarHBondContact OE1-CB 3.41Å; E373-T406 WeakPolarHBondContact OE1-CG2 3.04Å; E373-T406 PolarHBondContact OE1-N 3.04Å; E373-T406 PolarHBondContact OE1-OG1 3.1Å; E373-S409 WeakPolarHBondContact CG-OG 3.48Å; E373-S409 WeakPolarHBondContact OE1-CB 3.4Å; E373-S409 PolarHBondContact OE1-OG 3.25Å
374	I	97.8	Very high	95.1	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-44.3	-177.6	-61.2	172.7	0	0	0	110.5	M178 I180 L371 S376 K377 T406	M178-I374 HydrophobicContact CE-CG2 4.24Å; M178-I374 HydrophobicContact SD-CG2 3.72Å; I180-I374 HydrophobicContact CB-CD1 4.4Å; I180-I374 HydrophobicContact CD1-CD1 4.29Å; I180-I374 HydrophobicContact CD1-CG1 4.46Å; L371-I374 HydrophobicContact CD2-CD1 4.21Å; L371-I374 PolarHBondContact O-N 3.03Å; L371-I374 VanDerWaalsContact O-N 3.14Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 3.27Å; I374-K377 WeakPolarHBondContact O-CB 3.29Å; I374-K377 WeakPolarHBondContact O-CD 3.24Å; I374-K377 VanDerWaalsContact O-CG 3.24Å; I374-K377 WeakPolarHBondContact O-CG 3.28Å; I374-K377 PolarHBondContact O-N 3.06Å; I374-T406 HydrophobicContact CG1-CG2 4.13Å
375	L	97.3	Very high	95.6	Very high	61 Å²	61	32.3 Å²	32.3	32%	0.319	17%	0.173	S	C	.	.	H	α-helix	trans	-64.4	-37.8	-179.6	-69.3	171.4	0	0	0	111.8	M178 F363 V365 Q368 L371 E373	M178-L375 HydrophobicContact CE-CD2 3.73Å; M178-L375 HydrophobicContact CE-CG 4.31Å; F363-L375 HydrophobicContact CE2-CB 4.11Å; F363-L375 HydrophobicContact CZ-CB 3.95Å; F363-L375 WeakPolarHBondContact CZ-O 3.26Å; V365-L375 HydrophobicContact CB-CD1 4.25Å; V365-L375 HydrophobicContact CG1-CB 4.45Å; V365-L375 HydrophobicContact CG1-CD1 3.76Å; Q368-L375 HydrophobicContact CB-CD1 4.41Å; L371-L375 HydrophobicContact CB-CD1 4.09Å; L371-L375 HydrophobicContact CB-CG 4.26Å; L371-L375 WeakPolarHBondContact O-CB 3.03Å; L371-L375 WeakPolarHBondContact O-CG 3.31Å; L371-L375 PolarHBondContact O-N 2.99Å; E373-L375 PolarHBondContact O-N 3.11Å
376	S	97.1	Very high	96	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-90.8	3.4	-176.7	66	0	0	0	0	114.7	Q372 E373 I374 Q378 L379 M380	Q372-S376 VanDerWaalsContact O-CB 3.27Å; Q372-S376 WeakPolarHBondContact O-CB 3.25Å; Q372-S376 PolarHBondContact O-N 3.49Å; Q372-S376 PolarHBondContact O-OG 3.32Å; E373-S376 PolarHBondContact O-N 3.13Å; E373-S376 PolarHBondContact O-OG 3.33Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 3.27Å; S376-Q378 VanDerWaalsContact C-N 3.34Å; S376-Q378 PolarHBondContact O-N 3.25Å; S376-L379 WeakPolarHBondContact O-CA 3.31Å; S376-L379 WeakPolarHBondContact O-CB 3.27Å; S376-L379 PolarHBondContact O-N 2.98Å; S376-M380 PolarHBondContact O-N 3.46Å
377	K	98.2	Very high	96.6	Very high	21 Å²	21	23.6 Å²	23.6	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-53.4	-42.7	-175.1	75	-177.4	-73.2	-178.4	0	114.6	E373 I374 L379 M380 L381 F408 D472 V473	E373-K377 PolarHBondContact O-N 3.5Å; E373-K377 VanDerWaalsContact O-N 3.13Å; I374-K377 WeakPolarHBondContact O-CB 3.29Å; I374-K377 WeakPolarHBondContact O-CD 3.24Å; I374-K377 VanDerWaalsContact O-CG 3.24Å; I374-K377 WeakPolarHBondContact O-CG 3.28Å; I374-K377 PolarHBondContact O-N 3.06Å; K377-L379 VanDerWaalsContact C-N 3.34Å; K377-M380 PolarHBondContact O-N 2.67Å; K377-L381 PolarHBondContact O-N 3.3Å; K377-L381 VanDerWaalsContact O-N 3.08Å; K377-F408 HydrophobicContact CB-CD1 3.85Å; K377-F408 HydrophobicContact CB-CE1 3.65Å; K377-F408 HydrophobicContact CB-CZ 4.45Å; K377-F408 HydrophobicContact CG-CE1 4.25Å; K377-D472 IonicContact NZ-OD1 2.78Å; K377-D472 IonicContact NZ-OD2 2.75Å; K377-D472 PolarHBondContact NZ-OD2 3.44Å; K377-V473 PolarHBondContact NZ-O 3.3Å
378	Q	98.6	Very high	97.2	Very high	26 Å²	26	20.8 Å²	20.8	12%	0.121	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-37.3	-179.9	-173.9	-179.6	22.1	0	0	110.7	T333 S376 L381 C382 N460 L463 N464 R467	T333-Q378 HydrophobicContact CG2-CG 4.09Å; S376-Q378 VanDerWaalsContact C-N 3.34Å; S376-Q378 PolarHBondContact O-N 3.25Å; Q378-L381 PolarHBondContact O-N 3.16Å; Q378-C382 WeakPolarHBondContact O-CB 3.41Å; Q378-C382 PolarHBondContact O-N 3.45Å; Q378-C382 PolarHBondContact O-SG 3.05Å; Q378-N460 PolarHBondContact NE2-OD1 2.91Å; Q378-L463 HydrophobicContact CB-CD1 4.17Å; Q378-L463 HydrophobicContact CG-CB 4.34Å; Q378-L463 HydrophobicContact CG-CD1 4Å; Q378-N464 PolarHBondContact NE2-OD1 3.35Å; Q378-R467 VanDerWaalsContact OE1-NH2 3.08Å
379	L	98.4	Very high	97.6	Very high	17 Å²	17	16.2 Å²	16.2	9%	0.089	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-43.3	177.7	-177.7	61.7	0	0	0	111	L27 I332 F363 S376 K377 C382 Q383	L27-L379 HydrophobicContact CD2-CD2 4.25Å; I332-L379 HydrophobicContact CG2-CD1 3.59Å; F363-L379 HydrophobicContact CD1-CD2 4.17Å; F363-L379 HydrophobicContact CE1-CD2 4.35Å; S376-L379 WeakPolarHBondContact O-CA 3.31Å; S376-L379 WeakPolarHBondContact O-CB 3.27Å; S376-L379 PolarHBondContact O-N 2.98Å; K377-L379 VanDerWaalsContact C-N 3.34Å; L379-C382 PolarHBondContact O-N 2.73Å; L379-Q383 VanDerWaalsContact O-CG 3.31Å; L379-Q383 WeakPolarHBondContact O-CG 3.33Å; L379-Q383 PolarHBondContact O-N 2.93Å; L379-Q383 PolarHBondContact O-NE2 3.46Å
380	M	98.6	Very high	98	Very high	5 Å²	5	12.5 Å²	12.5	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-57.9	-50.7	173.6	-174	-177	-63.5	0	0	111.1	S376 K377 C382 Q383 F384 T401 L404 L412	S376-M380 PolarHBondContact O-N 3.46Å; K377-M380 PolarHBondContact O-N 2.67Å; M380-C382 VanDerWaalsContact C-N 3.33Å; M380-C382 PolarHBondContact O-N 3Å; M380-Q383 PolarHBondContact O-N 2.84Å; M380-F384 HydrophobicContact CG-CD1 4.37Å; M380-F384 HydrophobicContact CG-CE1 3.86Å; M380-F384 HydrophobicContact CG-CE2 4.19Å; M380-F384 HydrophobicContact CG-CZ 3.76Å; M380-F384 WeakPolarHBondContact O-CD1 3.3Å; M380-F384 PolarHBondContact O-N 3.04Å; M380-F384 HydrophobicContact SD-CE2 4.41Å; M380-F384 HydrophobicContact SD-CZ 4.1Å; M380-T401 HydrophobicContact CE-CG2 3.7Å; M380-T401 HydrophobicContact CG-CG2 4.42Å; M380-T401 HydrophobicContact SD-CG2 4.16Å; M380-L404 HydrophobicContact CE-CD2 3.95Å; M380-L404 HydrophobicContact SD-CD2 4.25Å; M380-L412 HydrophobicContact CB-CD1 4.42Å; M380-L412 HydrophobicContact CG-CD1 4.12Å; M380-L412 HydrophobicContact SD-CD1 4.15Å
381	L	98.9	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.5	-47.2	177.5	-176.5	153.4	0	0	0	111.9	K377 Q378 Q383 F384 L385 F408 L412 L456 V459 N460 L463	K377-L381 PolarHBondContact O-N 3.3Å; K377-L381 VanDerWaalsContact O-N 3.08Å; Q378-L381 PolarHBondContact O-N 3.16Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; L381-Q383 PolarHBondContact O-N 2.85Å; L381-F384 PolarHBondContact O-N 3.14Å; L381-L385 HydrophobicContact CD2-CD2 4.49Å; L381-L385 VanDerWaalsContact O-CB 3.3Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 PolarHBondContact O-N 3.28Å; L381-F408 HydrophobicContact CB-CZ 4.43Å; L381-F408 HydrophobicContact CD1-CZ 3.83Å; L381-L412 HydrophobicContact CB-CD1 3.94Å; L381-L412 HydrophobicContact CB-CD2 4.24Å; L381-L412 HydrophobicContact CD1-CD2 4.08Å; L381-L412 HydrophobicContact CG-CD2 4.04Å; L381-L456 HydrophobicContact CD1-CD2 4.32Å; L381-L456 HydrophobicContact CG-CD2 4.31Å; L381-V459 HydrophobicContact CD1-CB 3.94Å; L381-V459 HydrophobicContact CD1-CG1 3.4Å; L381-N460 HydrophobicContact CD2-CB 3.73Å; L381-L463 HydrophobicContact CD1-CD1 3.94Å
382	C	98.9	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.1	-32.2	-176.6	-65.3	0	0	0	0	112.8	I332 Q378 L379 M380 T386 N460	I332-C382 HydrophobicContact CG1-CB 4.17Å; I332-C382 HydrophobicContact CG2-CB 4.13Å; Q378-C382 WeakPolarHBondContact O-CB 3.41Å; Q378-C382 PolarHBondContact O-N 3.45Å; Q378-C382 PolarHBondContact O-SG 3.05Å; L379-C382 PolarHBondContact O-N 2.73Å; M380-C382 VanDerWaalsContact C-N 3.33Å; M380-C382 PolarHBondContact O-N 3Å; C382-T386 WeakPolarHBondContact O-CB 3.37Å; C382-T386 PolarHBondContact O-N 3.36Å; C382-T386 PolarHBondContact O-OG1 3.06Å; C382-N460 PolarHBondContact SG-OD1 3.35Å
383	Q	98.8	Very high	98.4	Very high	3 Å²	3	14 Å²	14	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-42.5	172.6	-70.6	174.6	112.2	0	0	111.1	V272 I332 A359 L379 M380 L381 T386 A387	V272-Q383 HydrophobicContact CG2-CG 4.48Å; I332-Q383 HydrophobicContact CD1-CG 4.23Å; A359-Q383 HydrophobicContact CB-CB 4.01Å; A359-Q383 HydrophobicContact CB-CG 3.99Å; L379-Q383 VanDerWaalsContact O-CG 3.31Å; L379-Q383 WeakPolarHBondContact O-CG 3.33Å; L379-Q383 PolarHBondContact O-N 2.93Å; L379-Q383 PolarHBondContact O-NE2 3.46Å; M380-Q383 PolarHBondContact O-N 2.84Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; L381-Q383 PolarHBondContact O-N 2.85Å; Q383-T386 PolarHBondContact O-N 2.72Å; Q383-A387 PolarHBondContact O-N 3.42Å
384	F	98.9	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-45.7	177.3	-70.8	14.4	0	0	0	111.3	M380 L381 T386 A387 L388 F397 C399 T401 L412 V413 L416 V440	M380-F384 HydrophobicContact CG-CD1 4.37Å; M380-F384 HydrophobicContact CG-CE1 3.86Å; M380-F384 HydrophobicContact CG-CE2 4.19Å; M380-F384 HydrophobicContact CG-CZ 3.76Å; M380-F384 WeakPolarHBondContact O-CD1 3.3Å; M380-F384 PolarHBondContact O-N 3.04Å; M380-F384 HydrophobicContact SD-CE2 4.41Å; M380-F384 HydrophobicContact SD-CZ 4.1Å; L381-F384 PolarHBondContact O-N 3.14Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.97Å; F384-A387 VanDerWaalsContact O-CB 3.28Å; F384-A387 WeakPolarHBondContact O-CB 3.49Å; F384-A387 PolarHBondContact O-N 3Å; F384-A387 VanDerWaalsContact O-N 3.1Å; F384-L388 PolarHBondContact O-N 3.43Å; F384-L388 VanDerWaalsContact O-N 3.11Å; F384-F397 AromaticContact CD1-CE1 3.66Å; F384-F397 HydrophobicContact CD1-CE1 3.66Å; F384-F397 AromaticContact CD1-CZ 3.88Å; F384-F397 HydrophobicContact CD1-CZ 3.88Å; F384-F397 HydrophobicContact CE1-CE1 4.12Å; F384-F397 HydrophobicContact CE1-CZ 4.43Å; F384-F397 HydrophobicContact CG-CE1 4.34Å; F384-C399 HydrophobicContact CD1-CB 4.32Å; F384-C399 HydrophobicContact CE1-CB 3.81Å; F384-T401 HydrophobicContact CE1-CG2 4.43Å; F384-T401 HydrophobicContact CZ-CG2 4.23Å; F384-L412 HydrophobicContact CD2-CB 3.73Å; F384-L412 HydrophobicContact CE2-CB 3.66Å; F384-V413 HydrophobicContact CE2-CG2 4.3Å; F384-V413 HydrophobicContact CZ-CG2 4.47Å; F384-L416 HydrophobicContact CB-CD2 4.25Å; F384-L416 HydrophobicContact CD1-CD1 3.95Å; F384-L416 HydrophobicContact CD2-CD1 3.41Å; F384-L416 VanDerWaalsContact CD2-CD1 3.41Å; F384-L416 HydrophobicContact CD2-CD2 4.23Å; F384-L416 HydrophobicContact CD2-CG 3.68Å; F384-L416 HydrophobicContact CE1-CD1 3.89Å; F384-L416 HydrophobicContact CE2-CD1 3.35Å; F384-L416 HydrophobicContact CE2-CG 3.98Å; F384-L416 HydrophobicContact CG-CD1 3.73Å; F384-L416 HydrophobicContact CG-CD2 4.26Å; F384-L416 HydrophobicContact CG-CG 4.15Å; F384-L416 HydrophobicContact CZ-CD1 3.61Å; F384-V440 HydrophobicContact CZ-CG2 4.42Å
385	L	98.9	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.3	-42.2	173	169.5	57.6	0	0	0	111.8	I338 L381 A387 L388 S389 R453 L456 F457 N460	I338-L385 HydrophobicContact CD1-CD2 3.71Å; I338-L385 HydrophobicContact CD1-CG 4.48Å; I338-L385 HydrophobicContact CG2-CG 4.48Å; L381-L385 HydrophobicContact CD2-CD2 4.49Å; L381-L385 VanDerWaalsContact O-CB 3.3Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 PolarHBondContact O-N 3.28Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.21Å; L385-L388 PolarHBondContact O-N 3.36Å; L385-S389 WeakPolarHBondContact O-CB 3.35Å; L385-S389 PolarHBondContact O-N 3.11Å; L385-S389 PolarHBondContact O-OG 3.33Å; L385-R453 HydrophobicContact CD1-CG 3.98Å; L385-R453 VanDerWaalsContact CD1-O 3.24Å; L385-R453 WeakPolarHBondContact CD1-O 3.5Å; L385-L456 HydrophobicContact CB-CB 4.17Å; L385-L456 HydrophobicContact CD1-CB 4.03Å; L385-F457 HydrophobicContact CD1-CB 4.05Å; L385-F457 HydrophobicContact CD1-CD2 4.46Å; L385-F457 HydrophobicContact CD2-CB 4.2Å; L385-F457 HydrophobicContact CD2-CD2 4.04Å; L385-N460 HydrophobicContact CD2-CB 4.35Å
386	T	98.8	Very high	98.4	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-64.5	-40.2	177.3	-59.6	0	0	0	0	110.9	V272 F341 L357 C382 Q383 F384 L388 S389 I390	V272-T386 HydrophobicContact CG1-CG2 4.26Å; F341-T386 HydrophobicContact CD1-CG2 4.32Å; F341-T386 HydrophobicContact CE1-CG2 4.45Å; L357-T386 HydrophobicContact CD2-CG2 4.15Å; C382-T386 WeakPolarHBondContact O-CB 3.37Å; C382-T386 PolarHBondContact O-N 3.36Å; C382-T386 PolarHBondContact O-OG1 3.06Å; Q383-T386 PolarHBondContact O-N 2.72Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.97Å; T386-L388 PolarHBondContact O-N 2.8Å; T386-S389 WeakPolarHBondContact O-CB 3.49Å; T386-S389 PolarHBondContact O-N 3.34Å; T386-I390 HydrophobicContact CG2-CD1 3.93Å; T386-I390 HydrophobicContact CG2-CG1 4.43Å; T386-I390 WeakPolarHBondContact O-CG1 3.46Å; T386-I390 PolarHBondContact O-N 3.34Å; T386-I390 VanDerWaalsContact O-N 3.16Å
387	A	98.8	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-55.7	-53.2	174.3	0	0	0	0	0	111.9	L357 Q383 F384 L385 S389 I390 V391 F397	L357-A387 HydrophobicContact CD2-CB 3.73Å; Q383-A387 PolarHBondContact O-N 3.42Å; F384-A387 VanDerWaalsContact O-CB 3.28Å; F384-A387 WeakPolarHBondContact O-CB 3.49Å; F384-A387 PolarHBondContact O-N 3Å; F384-A387 VanDerWaalsContact O-N 3.1Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.21Å; A387-S389 PolarHBondContact O-N 3.39Å; A387-S389 VanDerWaalsContact O-N 3.13Å; A387-I390 PolarHBondContact O-N 2.95Å; A387-V391 HydrophobicContact CB-CG2 4.42Å; A387-V391 VanDerWaalsContact O-CB 3.25Å; A387-V391 WeakPolarHBondContact O-CB 3.48Å; A387-V391 VanDerWaalsContact O-CG2 3.29Å; A387-V391 WeakPolarHBondContact O-CG2 3.46Å; A387-V391 PolarHBondContact O-N 3.25Å; A387-F397 HydrophobicContact CB-CB 4.25Å; A387-F397 HydrophobicContact CB-CD1 3.63Å; A387-F397 HydrophobicContact CB-CD2 3.58Å; A387-F397 HydrophobicContact CB-CE1 3.71Å; A387-F397 HydrophobicContact CB-CE2 3.68Å; A387-F397 HydrophobicContact CB-CG 3.55Å; A387-F397 HydrophobicContact CB-CZ 3.7Å
388	L	98.8	Very high	98.5	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-64.8	-16.5	178.3	-58.6	-176.4	0	0	0	113.2	F384 L385 T386 L416 C419 F420 L445 I449 V452 R453 L456	F384-L388 PolarHBondContact O-N 3.43Å; F384-L388 VanDerWaalsContact O-N 3.11Å; L385-L388 PolarHBondContact O-N 3.36Å; T386-L388 PolarHBondContact O-N 2.8Å; L388-L416 HydrophobicContact CD2-CD2 4.38Å; L388-C419 HydrophobicContact CD2-CB 3.84Å; L388-F420 HydrophobicContact CD2-CE2 3.95Å; L388-L445 HydrophobicContact CD2-CD1 3.69Å; L388-I449 HydrophobicContact CB-CD1 4.41Å; L388-I449 WeakPolarHBondContact O-CD1 3.25Å; L388-V452 HydrophobicContact CD1-CB 4.42Å; L388-V452 HydrophobicContact CD1-CG1 3.76Å; L388-R453 HydrophobicContact CB-CB 4.14Å; L388-R453 HydrophobicContact CB-CG 4.39Å; L388-L456 HydrophobicContact CD1-CD1 4Å
389	S	98.8	Very high	98.5	Very high	10 Å²	10	10.1 Å²	10.1	7%	0.07	7%	0.066	C	C	.	.	H	α-helix	trans	-87.9	-30.4	-179.1	-66.4	0	0	0	0	114.1	R342 L385 T386 A387	R342-S389 PolarHBondContact NE-O 3.08Å; L385-S389 WeakPolarHBondContact O-CB 3.35Å; L385-S389 PolarHBondContact O-N 3.11Å; L385-S389 PolarHBondContact O-OG 3.33Å; T386-S389 WeakPolarHBondContact O-CB 3.49Å; T386-S389 PolarHBondContact O-N 3.34Å; A387-S389 PolarHBondContact O-N 3.39Å; A387-S389 VanDerWaalsContact O-N 3.13Å
390	I	98.8	Very high	98.5	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-131.5	-12.8	-168.2	74.2	-179.7	0	0	0	115.3	A270 F341 R342 V345 G353 V354 L357 T386 A387	A270-I390 HydrophobicContact CB-CD1 3.72Å; F341-I390 HydrophobicContact CD1-CD1 4.23Å; F341-I390 HydrophobicContact CE1-CD1 3.68Å; R342-I390 HydrophobicContact CB-CG2 3.98Å; R342-I390 HydrophobicContact CG-CG2 4.1Å; V345-I390 HydrophobicContact CB-CB 4.43Å; V345-I390 HydrophobicContact CB-CG2 4.35Å; V345-I390 HydrophobicContact CG1-CB 4.04Å; V345-I390 HydrophobicContact CG1-CD1 4.49Å; V345-I390 HydrophobicContact CG1-CG2 4.49Å; V345-I390 HydrophobicContact CG2-CD1 4.33Å; G353-I390 CarbonylContact C-O 3.6Å; G353-I390 WeakPolarHBondContact CA-O 3.08Å; V354-I390 HydrophobicContact CG2-CG1 4.19Å; V354-I390 PolarHBondContact N-O 2.98Å; L357-I390 HydrophobicContact CD1-CD1 4.24Å; T386-I390 HydrophobicContact CG2-CD1 3.93Å; T386-I390 HydrophobicContact CG2-CG1 4.43Å; T386-I390 WeakPolarHBondContact O-CG1 3.46Å; T386-I390 PolarHBondContact O-N 3.34Å; T386-I390 VanDerWaalsContact O-N 3.16Å; A387-I390 PolarHBondContact O-N 2.95Å
391	V	98.8	Very high	98.5	Very high	10 Å²	10	9.5 Å²	9.5	6%	0.061	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.4	175.2	175.8	0	0	0	0	108.8	V354 L357 A387 L445	V354-V391 HydrophobicContact CG2-CG2 4.21Å; L357-V391 HydrophobicContact CB-CG2 3.63Å; A387-V391 HydrophobicContact CB-CG2 4.42Å; A387-V391 VanDerWaalsContact O-CB 3.25Å; A387-V391 WeakPolarHBondContact O-CB 3.48Å; A387-V391 VanDerWaalsContact O-CG2 3.29Å; A387-V391 WeakPolarHBondContact O-CG2 3.46Å; A387-V391 PolarHBondContact O-N 3.25Å; V391-L445 HydrophobicContact CB-CD2 4.2Å; V391-L445 HydrophobicContact CG1-CB 4.26Å; V391-L445 HydrophobicContact CG1-CD2 4.25Å; V391-L445 VanDerWaalsContact O-CD2 3.24Å; V391-L445 WeakPolarHBondContact O-CD2 3.45Å
392	R	98	Very high	98.4	Very high	26 Å²	26	10 Å²	10	10%	0.098	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	158	177.2	72.9	-178	57	-168.5	-3.7	111.2	E265 K352 G353 V354 H355 G394 G395	E265-R392 IonicContact OE1-NH1 3.14Å; E265-R392 PolarHBondContact OE1-NH1 2.76Å; K352-R392 VanDerWaalsContact O-CA 3.24Å; K352-R392 WeakPolarHBondContact O-CA 3.36Å; K352-R392 WeakPolarHBondContact O-CB 3.42Å; G353-R392 PolarHBondContact O-NE 3.13Å; G353-R392 VanDerWaalsContact O-NE 3.1Å; G353-R392 PolarHBondContact O-NH2 3.08Å; V354-R392 VanDerWaalsContact O-CG 3.26Å; V354-R392 WeakPolarHBondContact O-CG 3.34Å; V354-R392 PolarHBondContact O-N 3.16Å; H355-R392 PolarHBondContact CD2-NH1 2.64Å; H355-R392 PolarHBondContact CE1-NH1 2.9Å; H355-R392 PolarHBondContact CE1-NH2 2.61Å; H355-R392 PolarHBondContact NE2-NH1 3.46Å; R392-G394 PolarHBondContact O-N 3.44Å; R392-G395 WeakPolarHBondContact O-CA 3.37Å; R392-G395 PolarHBondContact O-N 3.39Å
393	T	97.4	Very high	98.4	Very high	83 Å²	83	10 Å²	10	51%	0.509	7%	0.065	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	133.2	167.1	-52.8	0	0	0	0	111.1	G395 L447	T393-G395 PolarHBondContact O-N 3.42Å; T393-L447 HydrophobicContact CG2-CD2 3.59Å; T393-L447 HydrophobicContact CG2-CG 3.72Å; T393-L447 WeakPolarHBondContact OG1-CD2 3.41Å
394	G	96.7	Very high	98.3	Very high	38 Å²	38	9.9 Å²	9.9	39%	0.392	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-4.5	-173.1	0	0	0	0	0	114.5	R392 H396 L445	R392-G394 PolarHBondContact O-N 3.44Å; G394-H396 PolarHBondContact O-CE1 3.05Å; G394-H396 PolarHBondContact O-ND1 3.34Å; G394-L445 PolarHBondContact N-O 3.14Å
395	G	98	Very high	98.3	Very high	3 Å²	3	9.9 Å²	9.9	3%	0.031	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	176.5	176.8	0	0	0	0	0	113.4	H355 R392 T393 G444 L445	H355-G395 CarbonylContact O-C 3.6Å; H355-G395 WeakPolarHBondContact O-CA 3.43Å; R392-G395 WeakPolarHBondContact O-CA 3.37Å; R392-G395 PolarHBondContact O-N 3.39Å; T393-G395 PolarHBondContact O-N 3.42Å; G395-G444 CarbonylContact O-C 3.4Å; G395-G444 VanDerWaalsContact O-CA 3.23Å; G395-G444 WeakPolarHBondContact O-CA 3.25Å; G395-G444 PolarHBondContact O-N 3.32Å; G395-L445 PolarHBondContact O-N 3.45Å
396	H	98.7	Very high	98.3	Very high	10 Å²	10	10.5 Å²	10.5	5%	0.046	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	160.9	-171.9	-50.9	-24.7	0	0	0	111.9	M246 F247 H355 F356 L357 G394 C442 G444	M246-H396 PolarHBondContact O-CD2 3.17Å; M246-H396 VanDerWaalsContact O-CD2 3.25Å; F247-H396 HydrophobicContact CD1-CB 4.39Å; F247-H396 HydrophobicContact CE1-CB 4.27Å; H355-H396 PolarHBondContact O-N 3.06Å; F356-H396 CarbonylContact C-O 3.19Å; F356-H396 WeakPolarHBondContact CA-O 3.39Å; F356-H396 HydrophobicContact CB-CB 4.01Å; F356-H396 WeakPolarHBondContact CB-O 3.46Å; L357-H396 PolarHBondContact N-O 2.95Å; L357-H396 VanDerWaalsContact N-O 3.09Å; G394-H396 PolarHBondContact O-CE1 3.05Å; G394-H396 PolarHBondContact O-ND1 3.34Å; H396-C442 CarbonylContact C-O 3.52Å; H396-C442 WeakPolarHBondContact CA-O 3.49Å; H396-G444 PolarHBondContact ND1-N 2.95Å
397	F	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.3	179	175.3	-132.5	0	0	0	110.4	L357 A359 F384 A387 C399 L416 F420 C442	L357-F397 HydrophobicContact CB-CD2 3.89Å; L357-F397 HydrophobicContact CB-CE2 4.43Å; L357-F397 HydrophobicContact CD2-CD2 3.86Å; L357-F397 HydrophobicContact CD2-CE2 3.63Å; L357-F397 HydrophobicContact CG-CD2 3.87Å; L357-F397 HydrophobicContact CG-CE2 3.9Å; L357-F397 WeakPolarHBondContact O-CA 3.25Å; L357-F397 WeakPolarHBondContact O-CD2 3.48Å; A359-F397 HydrophobicContact CB-CE2 3.94Å; A359-F397 HydrophobicContact CB-CZ 4.42Å; F384-F397 AromaticContact CD1-CE1 3.66Å; F384-F397 HydrophobicContact CD1-CE1 3.66Å; F384-F397 AromaticContact CD1-CZ 3.88Å; F384-F397 HydrophobicContact CD1-CZ 3.88Å; F384-F397 HydrophobicContact CE1-CE1 4.12Å; F384-F397 HydrophobicContact CE1-CZ 4.43Å; F384-F397 HydrophobicContact CG-CE1 4.34Å; A387-F397 HydrophobicContact CB-CB 4.25Å; A387-F397 HydrophobicContact CB-CD1 3.63Å; A387-F397 HydrophobicContact CB-CD2 3.58Å; A387-F397 HydrophobicContact CB-CE1 3.71Å; A387-F397 HydrophobicContact CB-CE2 3.68Å; A387-F397 HydrophobicContact CB-CG 3.55Å; A387-F397 HydrophobicContact CB-CZ 3.7Å; F397-C399 HydrophobicContact CE1-CB 3.77Å; F397-C399 HydrophobicContact CE2-CB 3.93Å; F397-C399 HydrophobicContact CZ-CB 3.38Å; F397-L416 HydrophobicContact CD1-CD1 4.25Å; F397-L416 HydrophobicContact CD1-CD2 4.44Å; F397-L416 HydrophobicContact CE1-CD1 4.01Å; F397-L416 HydrophobicContact CE1-CD2 4.44Å; F397-F420 HydrophobicContact CB-CE1 4.12Å; F397-F420 HydrophobicContact CB-CZ 3.78Å; F397-C442 HydrophobicContact CB-CB 4.12Å; F397-C442 PolarHBondContact N-O 3.12Å; F397-C442 PolarHBondContact O-N 2.83Å
398	V	98.9	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.2	169.8	49.5	0	0	0	0	108.9	M236 M239 F247 L357 M358 A359 Y439 V440 I441	M236-V398 HydrophobicContact CE-CG1 4.17Å; M236-V398 HydrophobicContact SD-CG1 3.96Å; M239-V398 HydrophobicContact CE-CG2 4.05Å; M239-V398 HydrophobicContact SD-CG2 4.1Å; F247-V398 HydrophobicContact CD1-CG1 4.43Å; F247-V398 HydrophobicContact CE1-CB 4.01Å; F247-V398 HydrophobicContact CE1-CG1 3.72Å; F247-V398 HydrophobicContact CZ-CB 3.87Å; F247-V398 HydrophobicContact CZ-CG1 3.88Å; L357-V398 PolarHBondContact O-N 3.5Å; M358-V398 CarbonylContact C-O 3.47Å; M358-V398 WeakPolarHBondContact CA-O 3.19Å; M358-V398 HydrophobicContact CB-CG1 3.96Å; M358-V398 HydrophobicContact CG-CG1 3.76Å; A359-V398 PolarHBondContact N-O 2.97Å; V398-Y439 HydrophobicContact CG2-CD1 3.77Å; V398-Y439 HydrophobicContact CG2-CG 4.38Å; V398-V440 WeakPolarHBondContact CA-O 3.43Å; V398-I441 HydrophobicContact CB-CD1 3.84Å; V398-I441 HydrophobicContact CG2-CD1 3.4Å; V398-I441 VanDerWaalsContact CG2-CD1 3.4Å
399	C	98.8	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130	-179.8	-165.7	0	0	0	0	111.2	A359 F384 F397 Y439 V440	A359-C399 HydrophobicContact CB-CB 4.33Å; A359-C399 CarbonylContact O-C 3.57Å; A359-C399 WeakPolarHBondContact O-CA 3.34Å; F384-C399 HydrophobicContact CD1-CB 4.32Å; F384-C399 HydrophobicContact CE1-CB 3.81Å; F397-C399 HydrophobicContact CE1-CB 3.77Å; F397-C399 HydrophobicContact CE2-CB 3.93Å; F397-C399 HydrophobicContact CZ-CB 3.38Å; C399-Y439 CarbonylContact O-C 3.6Å; C399-Y439 VanDerWaalsContact O-CA 3.26Å; C399-Y439 WeakPolarHBondContact O-CA 3.26Å; C399-V440 PolarHBondContact N-O 3.38Å; C399-V440 PolarHBondContact O-N 3.34Å
400	K	98.4	Very high	98.3	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.035	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.4	164.8	-179.3	172.4	61.4	-149.9	0	109.7	A359 D360 G361 F402 E437 R438 Y439	A359-K400 PolarHBondContact O-N 3.48Å; D360-K400 VanDerWaalsContact CG-NZ 3.31Å; D360-K400 VanDerWaalsContact O-CE 3.31Å; D360-K400 WeakPolarHBondContact O-CE 3.03Å; D360-K400 PolarHBondContact O-NZ 3.43Å; D360-K400 WeakPolarHBondContact OD1-CB 3.34Å; D360-K400 WeakPolarHBondContact OD1-CD 3.28Å; D360-K400 WeakPolarHBondContact OD1-CE 3.32Å; D360-K400 IonicContact OD1-NZ 3.51Å; D360-K400 PolarHBondContact OD1-NZ 2.75Å; D360-K400 IonicContact OD2-NZ 2.8Å; G361-K400 WeakPolarHBondContact O-CE 3.45Å; K400-F402 HydrophobicContact CD-CE1 4.45Å; K400-F402 HydrophobicContact CD-CZ 4.4Å; K400-E437 HydrophobicContact CD-CG 3.69Å; K400-E437 VanDerWaalsContact CD-OE2 3.28Å; K400-E437 WeakPolarHBondContact CD-OE2 3.44Å; K400-E437 HydrophobicContact CG-CG 3.88Å; K400-R438 WeakPolarHBondContact CA-O 3.41Å; K400-Y439 HydrophobicContact CB-CD1 4.07Å; K400-Y439 HydrophobicContact CB-CE1 3.6Å; K400-Y439 HydrophobicContact CG-CE1 4.32Å
401	T	97.7	Very high	98.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	174.9	165.5	67.3	0	0	0	0	109.1	M380 F384 L404 R438 V440	M380-T401 HydrophobicContact CE-CG2 3.7Å; M380-T401 HydrophobicContact CG-CG2 4.42Å; M380-T401 HydrophobicContact SD-CG2 4.16Å; F384-T401 HydrophobicContact CE1-CG2 4.43Å; F384-T401 HydrophobicContact CZ-CG2 4.23Å; T401-L404 HydrophobicContact CG2-CD2 4.49Å; T401-R438 PolarHBondContact N-O 3.1Å; T401-R438 PolarHBondContact O-N 3.43Å; T401-R438 WeakPolarHBondContact OG1-CG 3.42Å; T401-V440 HydrophobicContact CG2-CG2 3.71Å
402	F	96.6	Very high	98.3	Very high	9 Å²	9	10 Å²	10	4%	0.039	7%	0.065	C	C	.	.			trans	-111.8	-133.8	172.8	-60.9	-72.5	0	0	0	108.8	Q372 K400 S436	Q372-F402 HydrophobicContact CG-CB 4.42Å; Q372-F402 HydrophobicContact CG-CD1 4.15Å; Q372-F402 HydrophobicContact CG-CD2 3.71Å; Q372-F402 HydrophobicContact CG-CE1 4.33Å; Q372-F402 HydrophobicContact CG-CE2 3.91Å; Q372-F402 HydrophobicContact CG-CG 3.82Å; Q372-F402 HydrophobicContact CG-CZ 4.2Å; Q372-F402 VanDerWaalsContact OE1-CE1 3.3Å; K400-F402 HydrophobicContact CD-CE1 4.45Å; K400-F402 HydrophobicContact CD-CZ 4.4Å; F402-S436 CarbonylContact C-O 3.47Å; F402-S436 VanDerWaalsContact CA-O 3.28Å; F402-S436 WeakPolarHBondContact CA-O 3.32Å
403	D	98.1	Very high	98.4	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.011	6%	0.06	C	C	.	.			trans	-59.1	152.3	167	-64.7	-47.7	0	0	0	110.7	K199 E373 F405 S436 R438	K199-D403 IonicContact NZ-OD1 2.56Å; K199-D403 IonicContact NZ-OD2 2.67Å; K199-D403 PolarHBondContact NZ-OD2 3.17Å; E373-D403 HydrophobicContact CB-CB 4.22Å; E373-D403 VanDerWaalsContact CG-O 3.32Å; E373-D403 WeakPolarHBondContact CG-O 3.24Å; E373-D403 VanDerWaalsContact OE2-C 3.27Å; E373-D403 WeakPolarHBondContact OE2-CB 3.4Å; D403-F405 HydrophobicContact CB-CD2 3.69Å; D403-F405 HydrophobicContact CB-CE2 3.6Å; D403-F405 HydrophobicContact CB-CZ 4.39Å; D403-S436 VanDerWaalsContact CG-CB 3.46Å; D403-S436 VanDerWaalsContact OD1-CB 3.26Å; D403-S436 WeakPolarHBondContact OD1-CB 3.38Å; D403-S436 PolarHBondContact OD1-OG 2.88Å; D403-S436 VanDerWaalsContact OD2-CB 3.3Å; D403-S436 WeakPolarHBondContact OD2-CB 3.36Å; D403-S436 PolarHBondContact OD2-OG 3.04Å; D403-R438 IonicContact OD1-NH2 3.02Å
404	L	98.5	Very high	98.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.038	C	C	.	.			trans	-133.5	48.1	-179.2	-64.8	173.5	0	0	0	109.3	E373 M380 T401 V410 V413 I425 N496	E373-L404 PolarHBondContact OE2-N 3.26Å; M380-L404 HydrophobicContact CE-CD2 3.95Å; M380-L404 HydrophobicContact SD-CD2 4.25Å; T401-L404 HydrophobicContact CG2-CD2 4.49Å; L404-V410 VanDerWaalsContact O-CG2 3.29Å; L404-V410 WeakPolarHBondContact O-CG2 3.19Å; L404-V413 HydrophobicContact CD1-CG2 4.36Å; L404-V413 HydrophobicContact CD2-CG2 4.28Å; L404-I425 HydrophobicContact CD1-CD1 3.72Å; L404-I425 HydrophobicContact CD1-CG1 4.34Å; L404-I425 HydrophobicContact CD1-CG2 4.42Å; L404-N496 PolarHBondContact O-ND2 3.45Å
405	F	98.6	Very high	98.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.			trans	-87.4	-33.5	-179.2	-59.7	-49.8	0	0	0	112.1	I180 E183 C187 L192 E373 D403 N496 C500	I180-F405 HydrophobicContact CD1-CB 4.41Å; I180-F405 HydrophobicContact CD1-CD2 4.36Å; E183-F405 HydrophobicContact CB-CB 3.94Å; C187-F405 HydrophobicContact CB-CD1 3.67Å; C187-F405 HydrophobicContact CB-CE1 3.79Å; L192-F405 HydrophobicContact CD1-CD1 4.38Å; L192-F405 HydrophobicContact CD1-CD2 3.63Å; L192-F405 HydrophobicContact CD1-CE1 4.34Å; L192-F405 HydrophobicContact CD1-CE2 3.57Å; L192-F405 HydrophobicContact CD1-CG 4.06Å; L192-F405 HydrophobicContact CD1-CZ 3.96Å; E373-F405 PolarHBondContact OE1-N 2.74Å; E373-F405 PolarHBondContact OE2-N 3.19Å; D403-F405 HydrophobicContact CB-CD2 3.69Å; D403-F405 HydrophobicContact CB-CE2 3.6Å; D403-F405 HydrophobicContact CB-CZ 4.39Å; F405-N496 HydrophobicContact CE1-CB 4.3Å; F405-C500 VanDerWaalsContact CZ-SG 3.56Å
406	T	98.7	Very high	98.6	Very high	12 Å²	12	3.5 Å²	3.5	7%	0.074	2%	0.018	C	C	.	.	S	Bend	trans	-73.6	142.6	-175.1	68.2	0	0	0	0	111.3	I180 E183 E373 I374 F408 S409 V410	I180-T406 HydrophobicContact CD1-CG2 4.16Å; E183-T406 HydrophobicContact CG-CG2 4.01Å; E373-T406 HydrophobicContact CG-CG2 4.34Å; E373-T406 VanDerWaalsContact OE1-CB 3.31Å; E373-T406 WeakPolarHBondContact OE1-CB 3.41Å; E373-T406 WeakPolarHBondContact OE1-CG2 3.04Å; E373-T406 PolarHBondContact OE1-N 3.04Å; E373-T406 PolarHBondContact OE1-OG1 3.1Å; I374-T406 HydrophobicContact CG1-CG2 4.13Å; T406-F408 PolarHBondContact O-N 2.94Å; T406-F408 VanDerWaalsContact O-N 3.14Å; T406-S409 PolarHBondContact O-N 3.5Å; T406-S409 VanDerWaalsContact O-N 3.13Å; T406-S409 PolarHBondContact OG1-N 3.47Å; T406-S409 PolarHBondContact OG1-OG 3.22Å; T406-S409 VanDerWaalsContact OG1-OG 3.04Å; T406-V410 PolarHBondContact O-N 3.46Å; T406-V410 VanDerWaalsContact O-N 3.09Å
407	P	98.7	Very high	98.6	Very high	14 Å²	14	3.2 Å²	3.2	9%	0.091	2%	0.016	C	C	.	.	H	α-helix	trans	-56	-27.9	170.8	-29.9	36.8	0	0	0	114.5	E183 E185 F186 G411 L475 V479	E183-P407 WeakPolarHBondContact OE2-CD 3.19Å; E185-P407 HydrophobicContact CB-CG 4.47Å; E185-P407 HydrophobicContact CG-CG 4.18Å; F186-P407 HydrophobicContact CE2-CB 4.22Å; F186-P407 HydrophobicContact CE2-CG 4.12Å; P407-G411 PolarHBondContact O-N 3Å; P407-L475 HydrophobicContact CB-CD2 3.33Å; P407-L475 HydrophobicContact CG-CD2 4.27Å; P407-V479 HydrophobicContact CB-CG2 3.98Å; P407-V479 HydrophobicContact CG-CG2 4.24Å
408	F	98.8	Very high	98.5	Very high	4 Å²	4	3.2 Å²	3.2	2%	0.018	2%	0.016	C	C	.	.	H	α-helix	trans	-62.3	-52.9	174.1	-176.8	-88.2	0	0	0	111.3	K377 L381 T406 G411 L412 L463 V473 N474 V476	K377-F408 HydrophobicContact CB-CD1 3.85Å; K377-F408 HydrophobicContact CB-CE1 3.65Å; K377-F408 HydrophobicContact CB-CZ 4.45Å; K377-F408 HydrophobicContact CG-CE1 4.25Å; L381-F408 HydrophobicContact CB-CZ 4.43Å; L381-F408 HydrophobicContact CD1-CZ 3.83Å; T406-F408 PolarHBondContact O-N 2.94Å; T406-F408 VanDerWaalsContact O-N 3.14Å; F408-G411 PolarHBondContact O-N 3.39Å; F408-L412 HydrophobicContact CD1-CD1 4.01Å; F408-L412 HydrophobicContact CD1-CG 4.49Å; F408-L412 HydrophobicContact CE1-CD1 3.51Å; F408-L412 HydrophobicContact CE1-CG 4.21Å; F408-L412 HydrophobicContact CZ-CD1 4.22Å; F408-L412 WeakPolarHBondContact O-CG 3.4Å; F408-L412 PolarHBondContact O-N 3.27Å; F408-L412 VanDerWaalsContact O-N 3.08Å; F408-L463 HydrophobicContact CZ-CD1 4.18Å; F408-V473 HydrophobicContact CD2-CG1 4.46Å; F408-V473 WeakPolarHBondContact CD2-O 3.35Å; F408-V473 HydrophobicContact CE2-CB 4.36Å; F408-V473 HydrophobicContact CE2-CG1 4.08Å; F408-N474 WeakPolarHBondContact CB-O 3.21Å; F408-V476 HydrophobicContact CD2-CG1 3.89Å; F408-V476 HydrophobicContact CE2-CG1 3.53Å; F408-V476 HydrophobicContact CZ-CG1 4.2Å
409	S	98.8	Very high	98.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.8	-44.7	-179.2	-58.9	0	0	0	0	111.7	E373 T406 G411 L412 V413	E373-S409 WeakPolarHBondContact CG-OG 3.48Å; E373-S409 WeakPolarHBondContact OE1-CB 3.4Å; E373-S409 PolarHBondContact OE1-OG 3.25Å; T406-S409 PolarHBondContact O-N 3.5Å; T406-S409 VanDerWaalsContact O-N 3.13Å; T406-S409 PolarHBondContact OG1-N 3.47Å; T406-S409 PolarHBondContact OG1-OG 3.22Å; T406-S409 VanDerWaalsContact OG1-OG 3.04Å; S409-G411 VanDerWaalsContact C-N 3.33Å; S409-G411 PolarHBondContact O-N 3.35Å; S409-L412 WeakPolarHBondContact O-CB 3.36Å; S409-L412 PolarHBondContact O-N 3.4Å; S409-V413 WeakPolarHBondContact O-CG2 3.36Å; S409-V413 PolarHBondContact O-N 3.41Å; S409-V413 VanDerWaalsContact O-N 3.08Å
410	V	98.9	Very high	98.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.9	-38.6	178	177.7	0	0	0	0	111.3	F186 L404 T406 L412 V413 Y414 I482 F488 I492	F186-V410 HydrophobicContact CB-CG2 4.33Å; F186-V410 HydrophobicContact CD1-CG1 4.07Å; F186-V410 HydrophobicContact CD1-CG2 4.45Å; F186-V410 HydrophobicContact CD2-CB 4.1Å; F186-V410 HydrophobicContact CD2-CG1 4.35Å; F186-V410 HydrophobicContact CD2-CG2 3.67Å; F186-V410 HydrophobicContact CE1-CG1 3.83Å; F186-V410 HydrophobicContact CE2-CB 3.95Å; F186-V410 HydrophobicContact CE2-CG1 4.14Å; F186-V410 HydrophobicContact CE2-CG2 4.06Å; F186-V410 HydrophobicContact CG-CB 4.46Å; F186-V410 HydrophobicContact CG-CG1 4.32Å; F186-V410 HydrophobicContact CG-CG2 3.9Å; F186-V410 HydrophobicContact CZ-CB 4.18Å; F186-V410 HydrophobicContact CZ-CG1 3.87Å; L404-V410 VanDerWaalsContact O-CG2 3.29Å; L404-V410 WeakPolarHBondContact O-CG2 3.19Å; T406-V410 PolarHBondContact O-N 3.46Å; T406-V410 VanDerWaalsContact O-N 3.09Å; V410-L412 VanDerWaalsContact C-N 3.31Å; V410-L412 PolarHBondContact O-N 2.81Å; V410-V413 PolarHBondContact O-N 2.83Å; V410-V413 VanDerWaalsContact O-N 3.17Å; V410-Y414 WeakPolarHBondContact O-CB 3.08Å; V410-Y414 PolarHBondContact O-N 3.14Å; V410-I482 HydrophobicContact CG1-CD1 4.35Å; V410-I482 HydrophobicContact CG1-CG2 4.04Å; V410-F488 HydrophobicContact CG1-CE1 3.87Å; V410-F488 HydrophobicContact CG1-CZ 4.34Å; V410-I492 HydrophobicContact CG1-CG1 4.26Å; V410-I492 HydrophobicContact CG1-CG2 3.95Å; V410-I492 HydrophobicContact CG2-CG2 3.89Å
411	G	98.8	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.9	-37.3	173.2	0	0	0	0	0	113	P407 F408 S409 Y414 L415 V477	P407-G411 PolarHBondContact O-N 3Å; F408-G411 PolarHBondContact O-N 3.39Å; S409-G411 VanDerWaalsContact C-N 3.33Å; S409-G411 PolarHBondContact O-N 3.35Å; G411-Y414 WeakPolarHBondContact O-CB 3.21Å; G411-Y414 PolarHBondContact O-N 3.01Å; G411-L415 WeakPolarHBondContact O-CG 3.44Å; G411-L415 PolarHBondContact O-N 2.93Å; G411-L415 VanDerWaalsContact O-N 3.08Å; G411-V477 WeakPolarHBondContact O-CG2 3.47Å
412	L	98.9	Very high	98.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-65.1	-41.7	173	-70.8	177.9	0	0	0	112.3	M380 L381 F384 F408 S409 V410 Y414 L415 L416 L456 V476	M380-L412 HydrophobicContact CB-CD1 4.42Å; M380-L412 HydrophobicContact CG-CD1 4.12Å; M380-L412 HydrophobicContact SD-CD1 4.15Å; L381-L412 HydrophobicContact CB-CD1 3.94Å; L381-L412 HydrophobicContact CB-CD2 4.24Å; L381-L412 HydrophobicContact CD1-CD2 4.08Å; L381-L412 HydrophobicContact CG-CD2 4.04Å; F384-L412 HydrophobicContact CD2-CB 3.73Å; F384-L412 HydrophobicContact CE2-CB 3.66Å; F408-L412 HydrophobicContact CD1-CD1 4.01Å; F408-L412 HydrophobicContact CD1-CG 4.49Å; F408-L412 HydrophobicContact CE1-CD1 3.51Å; F408-L412 HydrophobicContact CE1-CG 4.21Å; F408-L412 HydrophobicContact CZ-CD1 4.22Å; F408-L412 WeakPolarHBondContact O-CG 3.4Å; F408-L412 PolarHBondContact O-N 3.27Å; F408-L412 VanDerWaalsContact O-N 3.08Å; S409-L412 WeakPolarHBondContact O-CB 3.36Å; S409-L412 PolarHBondContact O-N 3.4Å; V410-L412 VanDerWaalsContact C-N 3.31Å; V410-L412 PolarHBondContact O-N 2.81Å; L412-Y414 VanDerWaalsContact C-N 3.32Å; L412-L415 PolarHBondContact O-N 2.63Å; L412-L416 PolarHBondContact O-N 3.26Å; L412-L456 HydrophobicContact CD2-CD2 3.71Å; L412-V476 HydrophobicContact CD2-CG1 4.43Å; L412-V476 HydrophobicContact CD2-CG2 3.98Å; L412-V476 HydrophobicContact CG-CG2 4.02Å
413	V	98.9	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-38	175.9	178.1	0	0	0	0	110.9	F384 L404 S409 V410 L415 L416 Y417 I423 V440 F488 I492	F384-V413 HydrophobicContact CE2-CG2 4.3Å; F384-V413 HydrophobicContact CZ-CG2 4.47Å; L404-V413 HydrophobicContact CD1-CG2 4.36Å; L404-V413 HydrophobicContact CD2-CG2 4.28Å; S409-V413 WeakPolarHBondContact O-CG2 3.36Å; S409-V413 PolarHBondContact O-N 3.41Å; S409-V413 VanDerWaalsContact O-N 3.08Å; V410-V413 PolarHBondContact O-N 2.83Å; V410-V413 VanDerWaalsContact O-N 3.17Å; V413-L415 PolarHBondContact O-N 3.21Å; V413-L416 WeakPolarHBondContact O-CB 3.19Å; V413-L416 PolarHBondContact O-N 3.1Å; V413-Y417 PolarHBondContact O-N 3.38Å; V413-I423 HydrophobicContact CG1-CD1 3.64Å; V413-V440 HydrophobicContact CG2-CG2 4.14Å; V413-F488 HydrophobicContact CB-CZ 4.34Å; V413-F488 HydrophobicContact CG1-CE2 4.12Å; V413-F488 HydrophobicContact CG1-CZ 4.05Å; V413-I492 HydrophobicContact CG1-CD1 4.07Å
414	Y	98.8	Very high	98.5	Very high	11 Å²	11	13.9 Å²	13.9	4%	0.043	6%	0.061	C	C	.	.	H	α-helix	trans	-59.9	-43.6	174.7	-175.9	-96.3	0	0	0	111.9	W170 V410 G411 L412 L416 Y417 C418 V477 V481 I482 D485 F488	W170-Y414 HydrophobicContact CH2-CE1 4.27Å; V410-Y414 WeakPolarHBondContact O-CB 3.08Å; V410-Y414 PolarHBondContact O-N 3.14Å; G411-Y414 WeakPolarHBondContact O-CB 3.21Å; G411-Y414 PolarHBondContact O-N 3.01Å; L412-Y414 VanDerWaalsContact C-N 3.32Å; Y414-L416 VanDerWaalsContact C-N 3.32Å; Y414-L416 PolarHBondContact O-N 2.98Å; Y414-Y417 HydrophobicContact CD2-CD1 4.02Å; Y414-Y417 HydrophobicContact CD2-CE1 4.43Å; Y414-Y417 HydrophobicContact CE2-CD1 4.06Å; Y414-Y417 HydrophobicContact CE2-CE1 4.08Å; Y414-Y417 VanDerWaalsContact O-CB 3.31Å; Y414-Y417 WeakPolarHBondContact O-CB 3.26Å; Y414-Y417 PolarHBondContact O-N 2.74Å; Y414-Y417 VanDerWaalsContact O-N 3.13Å; Y414-C418 VanDerWaalsContact CE1-SG 3.59Å; Y414-C418 PolarHBondContact O-N 3.35Å; Y414-C418 PolarHBondContact O-SG 3.37Å; Y414-V477 HydrophobicContact CD1-CG1 3.95Å; Y414-V477 HydrophobicContact CD1-CG2 4.15Å; Y414-V477 HydrophobicContact CE1-CG1 4.26Å; Y414-V481 HydrophobicContact CE1-CG1 4.13Å; Y414-I482 HydrophobicContact CG-CG1 4.43Å; Y414-D485 HydrophobicContact CE2-CB 4.09Å; Y414-F488 AromaticContact CD2-CD1 3.61Å; Y414-F488 HydrophobicContact CD2-CD1 3.61Å; Y414-F488 HydrophobicContact CD2-CD2 4.25Å; Y414-F488 AromaticContact CD2-CE1 3.71Å; Y414-F488 HydrophobicContact CD2-CE1 3.71Å; Y414-F488 HydrophobicContact CD2-CE2 4.34Å; Y414-F488 AromaticContact CD2-CG 3.88Å; Y414-F488 HydrophobicContact CD2-CG 3.88Å; Y414-F488 HydrophobicContact CD2-CZ 4.09Å; Y414-F488 HydrophobicContact CE2-CD1 4.33Å; Y414-F488 HydrophobicContact CE2-CG 4.41Å; Y414-F488 HydrophobicContact CG-CE1 4.29Å; Y414-F488 HydrophobicContact CG-CZ 4.44Å
415	L	98.8	Very high	98.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-61.3	-38.7	175.1	-69.7	172.7	0	0	0	112.5	L167 W170 G411 L412 V413 C418 C419 V452 Y455 L456 V477	L167-L415 HydrophobicContact CD2-CD2 4.12Å; W170-L415 HydrophobicContact CE3-CD2 4.31Å; W170-L415 HydrophobicContact CZ3-CD2 3.73Å; G411-L415 WeakPolarHBondContact O-CG 3.44Å; G411-L415 PolarHBondContact O-N 2.93Å; G411-L415 VanDerWaalsContact O-N 3.08Å; L412-L415 PolarHBondContact O-N 2.63Å; V413-L415 PolarHBondContact O-N 3.21Å; L415-C418 PolarHBondContact O-N 3.46Å; L415-C419 WeakPolarHBondContact O-CB 3.44Å; L415-C419 PolarHBondContact O-N 3.42Å; L415-C419 VanDerWaalsContact O-N 3.09Å; L415-C419 PolarHBondContact O-SG 3.44Å; L415-V452 HydrophobicContact CB-CG1 4.11Å; L415-V452 HydrophobicContact CD1-CG1 4.44Å; L415-V452 HydrophobicContact CD2-CG1 4Å; L415-V452 HydrophobicContact CG-CG1 4.42Å; L415-Y455 HydrophobicContact CD1-CD1 4.29Å; L415-Y455 HydrophobicContact CD1-CE1 4.12Å; L415-L456 HydrophobicContact CD1-CD2 3.68Å; L415-L456 HydrophobicContact CD1-CG 4.25Å; L415-V477 HydrophobicContact CD1-CG2 4.29Å; L415-V477 HydrophobicContact CD2-CG2 4.12Å; L415-V477 HydrophobicContact CG-CG2 3.88Å
416	L	98.8	Very high	98.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-66	-40.8	173	-67.2	-178	0	0	0	112	F384 L388 F397 L412 V413 Y414 C418 C419 F420 V440	F384-L416 HydrophobicContact CB-CD2 4.25Å; F384-L416 HydrophobicContact CD1-CD1 3.95Å; F384-L416 HydrophobicContact CD2-CD1 3.41Å; F384-L416 VanDerWaalsContact CD2-CD1 3.41Å; F384-L416 HydrophobicContact CD2-CD2 4.23Å; F384-L416 HydrophobicContact CD2-CG 3.68Å; F384-L416 HydrophobicContact CE1-CD1 3.89Å; F384-L416 HydrophobicContact CE2-CD1 3.35Å; F384-L416 HydrophobicContact CE2-CG 3.98Å; F384-L416 HydrophobicContact CG-CD1 3.73Å; F384-L416 HydrophobicContact CG-CD2 4.26Å; F384-L416 HydrophobicContact CG-CG 4.15Å; F384-L416 HydrophobicContact CZ-CD1 3.61Å; L388-L416 HydrophobicContact CD2-CD2 4.38Å; F397-L416 HydrophobicContact CD1-CD1 4.25Å; F397-L416 HydrophobicContact CD1-CD2 4.44Å; F397-L416 HydrophobicContact CE1-CD1 4.01Å; F397-L416 HydrophobicContact CE1-CD2 4.44Å; L412-L416 PolarHBondContact O-N 3.26Å; V413-L416 WeakPolarHBondContact O-CB 3.19Å; V413-L416 PolarHBondContact O-N 3.1Å; Y414-L416 VanDerWaalsContact C-N 3.32Å; Y414-L416 PolarHBondContact O-N 2.98Å; L416-C418 VanDerWaalsContact C-N 3.3Å; L416-C418 PolarHBondContact O-N 3.35Å; L416-C419 PolarHBondContact O-N 3.2Å; L416-C419 VanDerWaalsContact O-N 3.09Å; L416-F420 HydrophobicContact CD2-CD2 4.4Å; L416-F420 HydrophobicContact CD2-CE2 3.96Å; L416-F420 WeakPolarHBondContact O-CD2 3.21Å; L416-F420 PolarHBondContact O-N 2.82Å; L416-V440 HydrophobicContact CD1-CG1 4.04Å
417	Y	98.6	Very high	98.5	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-57.4	-41.7	174.2	160.8	-103.8	0	0	0	112.2	L155 C157 V413 Y414 I423 D485 F488	L155-Y417 VanDerWaalsContact O-CE2 3.27Å; L155-Y417 WeakPolarHBondContact O-CE2 3.39Å; C157-Y417 WeakPolarHBondContact CA-OH 3.45Å; C157-Y417 HydrophobicContact CB-CD1 3.96Å; C157-Y417 HydrophobicContact CB-CD2 3.86Å; C157-Y417 HydrophobicContact CB-CE1 3.6Å; C157-Y417 HydrophobicContact CB-CE2 3.49Å; C157-Y417 VanDerWaalsContact CB-CE2 3.49Å; C157-Y417 HydrophobicContact CB-CG 4.1Å; C157-Y417 WeakPolarHBondContact CB-O 3.41Å; C157-Y417 VanDerWaalsContact SG-CE1 3.53Å; V413-Y417 PolarHBondContact O-N 3.38Å; Y414-Y417 HydrophobicContact CD2-CD1 4.02Å; Y414-Y417 HydrophobicContact CD2-CE1 4.43Å; Y414-Y417 HydrophobicContact CE2-CD1 4.06Å; Y414-Y417 HydrophobicContact CE2-CE1 4.08Å; Y414-Y417 VanDerWaalsContact O-CB 3.31Å; Y414-Y417 WeakPolarHBondContact O-CB 3.26Å; Y414-Y417 PolarHBondContact O-N 2.74Å; Y414-Y417 VanDerWaalsContact O-N 3.13Å; Y417-I423 HydrophobicContact CD2-CG1 4.18Å; Y417-D485 WeakPolarHBondContact CE1-OD2 3.2Å; Y417-D485 PolarHBondContact OH-OD2 3.02Å; Y417-F488 AromaticContact CD1-CD2 3.76Å; Y417-F488 HydrophobicContact CD1-CD2 3.76Å; Y417-F488 HydrophobicContact CD1-CE2 4.3Å; Y417-F488 HydrophobicContact CD1-CG 4.31Å; Y417-F488 AromaticContact CD2-CD2 3.97Å; Y417-F488 HydrophobicContact CD2-CD2 3.97Å; Y417-F488 HydrophobicContact CE1-CB 4.1Å; Y417-F488 HydrophobicContact CE1-CD2 4.13Å; Y417-F488 HydrophobicContact CE1-CG 4.36Å; Y417-F488 HydrophobicContact CE2-CD2 4.32Å; Y417-F488 AromaticContact CG-CD2 3.64Å; Y417-F488 HydrophobicContact CG-CD2 3.64Å; Y417-F488 HydrophobicContact CG-CE2 4Å
418	C	98.4	Very high	98.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-39	173	-60.5	0	0	0	0	112.4	I161 Y414 L415 L416 K446	I161-C418 WeakPolarHBondContact CG1-O 3.43Å; Y414-C418 VanDerWaalsContact CE1-SG 3.59Å; Y414-C418 PolarHBondContact O-N 3.35Å; Y414-C418 PolarHBondContact O-SG 3.37Å; L415-C418 PolarHBondContact O-N 3.46Å; L416-C418 VanDerWaalsContact C-N 3.3Å; L416-C418 PolarHBondContact O-N 3.35Å; C418-K446 VanDerWaalsContact O-CD 3.28Å; C418-K446 WeakPolarHBondContact O-CD 3.47Å; C418-K446 PolarHBondContact O-NZ 3.26Å; C418-K446 VanDerWaalsContact O-NZ 3.16Å
419	C	98.7	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-84.1	-16.2	-172.2	-68.2	0	0	0	0	115.3	L388 L415 L416 L445 K446 I449	L388-C419 HydrophobicContact CD2-CB 3.84Å; L415-C419 WeakPolarHBondContact O-CB 3.44Å; L415-C419 PolarHBondContact O-N 3.42Å; L415-C419 VanDerWaalsContact O-N 3.09Å; L415-C419 PolarHBondContact O-SG 3.44Å; L416-C419 PolarHBondContact O-N 3.2Å; L416-C419 VanDerWaalsContact O-N 3.09Å; C419-L445 HydrophobicContact CB-CD1 4.37Å; C419-K446 WeakPolarHBondContact O-CB 3.44Å; C419-K446 PolarHBondContact O-N 2.92Å; C419-I449 HydrophobicContact CB-CB 4.48Å; C419-I449 HydrophobicContact CB-CG2 3.73Å
420	F	98.4	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	157.9	-179	-74.3	-99.8	0	0	0	111.7	L388 F397 L416 I423 C442 G444 L445 K446	L388-F420 HydrophobicContact CD2-CE2 3.95Å; F397-F420 HydrophobicContact CB-CE1 4.12Å; F397-F420 HydrophobicContact CB-CZ 3.78Å; L416-F420 HydrophobicContact CD2-CD2 4.4Å; L416-F420 HydrophobicContact CD2-CE2 3.96Å; L416-F420 WeakPolarHBondContact O-CD2 3.21Å; L416-F420 PolarHBondContact O-N 2.82Å; F420-I423 HydrophobicContact CB-CG2 4.2Å; F420-C442 HydrophobicContact CB-CB 4.02Å; F420-C442 HydrophobicContact CD1-CB 3.41Å; F420-C442 VanDerWaalsContact CD1-CB 3.41Å; F420-C442 HydrophobicContact CD2-CB 3.68Å; F420-C442 HydrophobicContact CE1-CB 3.64Å; F420-C442 HydrophobicContact CE2-CB 3.9Å; F420-C442 HydrophobicContact CG-CB 3.43Å; F420-C442 VanDerWaalsContact CG-CB 3.43Å; F420-C442 HydrophobicContact CZ-CB 3.87Å; F420-G444 CarbonylContact C-O 3.51Å; F420-G444 VanDerWaalsContact CA-O 3.31Å; F420-G444 WeakPolarHBondContact CA-O 3.27Å; F420-L445 HydrophobicContact CD1-CB 4.12Å; F420-L445 HydrophobicContact CD1-CD1 4.35Å; F420-L445 HydrophobicContact CD2-CD1 4.02Å; F420-L445 HydrophobicContact CE1-CB 3.77Å; F420-L445 HydrophobicContact CE1-CD1 3.95Å; F420-L445 HydrophobicContact CE1-CG 4.48Å; F420-L445 HydrophobicContact CE2-CD1 3.58Å; F420-L445 HydrophobicContact CG-CD1 4.38Å; F420-L445 HydrophobicContact CZ-CB 4.21Å; F420-L445 HydrophobicContact CZ-CD1 3.56Å; F420-L445 HydrophobicContact CZ-CG 4.45Å; F420-K446 WeakPolarHBondContact O-CE 3.43Å; F420-K446 PolarHBondContact O-NZ 3.44Å; F420-K446 VanDerWaalsContact O-NZ 3.12Å
421	E	96.6	Very high	98.2	Very high	106 Å²	106	18.4 Å²	18.4	50%	0.495	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-39.6	177.2	-63.5	-60.4	163.4	0	0	111.8	K443 G444 K446	E421-K443 WeakPolarHBondContact CB-O 3.3Å; E421-K443 PolarHBondContact N-O 2.89Å; E421-G444 WeakPolarHBondContact CG-O 3.2Å; E421-G444 PolarHBondContact N-O 3.29Å; E421-K446 WeakPolarHBondContact OE1-CG 3.22Å
422	R	96.5	Very high	98.1	Very high	138 Å²	138	19.7 Å²	19.7	52%	0.521	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.4	173.3	-54.9	-168.4	-156.9	-161.9	4.2	111.4	W153 K443	W153-R422 HydrophobicContact CD2-CB 4.4Å; W153-R422 HydrophobicContact CE3-CB 3.48Å; W153-R422 VanDerWaalsContact CE3-CB 3.48Å; W153-R422 HydrophobicContact CZ3-CB 3.67Å; R422-K443 PolarHBondContact N-O 2.97Å; R422-K443 VanDerWaalsContact N-O 3.17Å; R422-K443 PolarHBondContact O-N 3.07Å
423	I	98.3	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.4	167.9	68.4	151	0	0	0	111.6	W153 C154 V413 Y417 F420 I441 C442 F488	W153-I423 VanDerWaalsContact CE3-C 3.48Å; C154-I423 HydrophobicContact CB-CG1 4.02Å; C154-I423 WeakPolarHBondContact CB-O 3.26Å; C154-I423 PolarHBondContact N-O 3.07Å; V413-I423 HydrophobicContact CG1-CD1 3.64Å; Y417-I423 HydrophobicContact CD2-CG1 4.18Å; F420-I423 HydrophobicContact CB-CG2 4.2Å; I423-I441 CarbonylContact C-O 3.49Å; I423-I441 WeakPolarHBondContact CA-O 3.26Å; I423-C442 HydrophobicContact CG2-CB 4.09Å; I423-F488 HydrophobicContact CD1-CE2 4.12Å
424	C	98.6	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.1	163	73.6	0	0	0	0	111.3	V151 D152 W153 F243 V440 I441 Y491	V151-C424 HydrophobicContact CG1-CB 4.48Å; D152-C424 VanDerWaalsContact O-CB 3.25Å; D152-C424 WeakPolarHBondContact O-CB 3.4Å; W153-C424 HydrophobicContact CD2-CB 4.08Å; W153-C424 HydrophobicContact CE3-CB 3.9Å; W153-C424 HydrophobicContact CG-CB 4.41Å; W153-C424 HydrophobicContact CZ3-CB 4.39Å; F243-C424 VanDerWaalsContact CE1-SG 3.56Å; C424-V440 WeakPolarHBondContact O-CA 3.32Å; C424-I441 PolarHBondContact N-O 2.77Å; C424-I441 PolarHBondContact O-N 3.28Å; C424-Y491 WeakPolarHBondContact CA-OH 3.12Å; C424-Y491 WeakPolarHBondContact CB-OH 3.45Å
425	I	98.8	Very high	97.5	Very high	17 Å²	17	23.9 Å²	23.9	9%	0.087	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.9	170.3	-62.4	167.5	0	0	0	107.2	L404 R438 Y439 V440 Y491 I492	L404-I425 HydrophobicContact CD1-CD1 3.72Å; L404-I425 HydrophobicContact CD1-CG1 4.34Å; L404-I425 HydrophobicContact CD1-CG2 4.42Å; I425-R438 HydrophobicContact CG2-CB 4.45Å; I425-R438 HydrophobicContact CG2-CG 4.02Å; I425-Y439 WeakPolarHBondContact CA-O 3.42Å; I425-V440 HydrophobicContact CG1-CG2 4.34Å; I425-Y491 HydrophobicContact CD1-CE1 4.19Å; I425-Y491 HydrophobicContact CG1-CE1 4.27Å; I425-Y491 PolarHBondContact N-OH 3.21Å; I425-I492 HydrophobicContact CD1-CD1 3.49Å; I425-I492 VanDerWaalsContact CD1-CD1 3.49Å
426	F	98.6	Very high	97.4	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.057	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133	-170.4	-178.4	-108.8	0	0	0	111.4	E149 V151 M239 V242 F243 P428 Y439 I441	E149-F426 HydrophobicContact CB-CE2 4.24Å; E149-F426 HydrophobicContact CB-CZ 4.01Å; E149-F426 HydrophobicContact CG-CZ 4.46Å; E149-F426 VanDerWaalsContact OE2-CZ 3.31Å; E149-F426 WeakPolarHBondContact OE2-CZ 3.44Å; V151-F426 HydrophobicContact CG2-CD2 4.34Å; V151-F426 HydrophobicContact CG2-CE2 4.19Å; M239-F426 HydrophobicContact CG-CD1 4.17Å; M239-F426 HydrophobicContact CG-CE1 4.13Å; V242-F426 HydrophobicContact CB-CZ 4.43Å; V242-F426 HydrophobicContact CG1-CE1 4.15Å; V242-F426 HydrophobicContact CG1-CE2 4.18Å; V242-F426 HydrophobicContact CG1-CZ 3.78Å; V242-F426 HydrophobicContact CG2-CZ 4.18Å; F243-F426 HydrophobicContact CE2-CB 4.48Å; F243-F426 AromaticContact CE2-CD1 3.82Å; F243-F426 HydrophobicContact CE2-CD1 3.82Å; F243-F426 HydrophobicContact CE2-CE1 4.29Å; F243-F426 HydrophobicContact CE2-CG 4.18Å; F243-F426 HydrophobicContact CZ-CB 4Å; F243-F426 HydrophobicContact CZ-CD1 4.05Å; F243-F426 HydrophobicContact CZ-CD2 4.47Å; F243-F426 AromaticContact CZ-CG 3.92Å; F243-F426 HydrophobicContact CZ-CG 3.92Å; F426-P428 HydrophobicContact CD1-CB 4.31Å; F426-P428 HydrophobicContact CE1-CB 3.7Å; F426-P428 HydrophobicContact CE1-CG 4.45Å; F426-P428 HydrophobicContact CZ-CB 4.49Å; F426-Y439 PolarHBondContact N-O 2.98Å; F426-Y439 PolarHBondContact O-N 2.78Å; F426-I441 HydrophobicContact CB-CG1 4.19Å
427	K	98.4	Very high	97.4	Very high	45 Å²	45	24.1 Å²	24.1	20%	0.196	12%	0.116	C	C	.	.			trans	-109.2	103.1	171.1	-177.3	-178.6	-176.8	66.4	0	108.5	S431 R432 N435 E437 R438	K427-S431 PolarHBondContact NZ-OG 3.33Å; K427-S431 VanDerWaalsContact NZ-OG 3.1Å; K427-R432 WeakPolarHBondContact CE-O 3.49Å; K427-R432 PolarHBondContact NZ-O 3.11Å; K427-N435 PolarHBondContact NZ-O 3.46Å; K427-N435 VanDerWaalsContact NZ-O 3.11Å; K427-N435 PolarHBondContact NZ-OD1 3.28Å; K427-E437 PolarHBondContact NZ-O 2.94Å; K427-R438 HydrophobicContact CB-CB 4.28Å
428	P	98.1	Very high	97.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.116	C	C	.	.			trans	-64.6	150.1	177.3	25.5	-31.9	0	0	0	110.8	E149 N238 M239 F426 T430 S431 Y439	E149-P428 VanDerWaalsContact OE2-CA 3.28Å; E149-P428 WeakPolarHBondContact OE2-CA 3.3Å; N238-P428 VanDerWaalsContact OD1-CB 3.3Å; N238-P428 WeakPolarHBondContact OD1-CB 3.47Å; M239-P428 HydrophobicContact CG-CB 4.1Å; M239-P428 HydrophobicContact CG-CG 4.15Å; M239-P428 HydrophobicContact SD-CG 4.21Å; F426-P428 HydrophobicContact CD1-CB 4.31Å; F426-P428 HydrophobicContact CE1-CB 3.7Å; F426-P428 HydrophobicContact CE1-CG 4.45Å; F426-P428 HydrophobicContact CZ-CB 4.49Å; P428-T430 PolarHBondContact O-N 3.13Å; P428-T430 VanDerWaalsContact O-N 3.11Å; P428-S431 WeakPolarHBondContact O-CA 3.22Å; P428-S431 WeakPolarHBondContact O-CB 3.44Å; P428-S431 PolarHBondContact O-N 3.34Å; P428-Y439 HydrophobicContact CG-CD2 3.91Å; P428-Y439 HydrophobicContact CG-CE2 3.97Å
429	V	97.7	Very high	97.4	Very high	21 Å²	21	24.1 Å²	24.1	13%	0.127	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.5	175.5	-65.8	0	0	0	0	113.3	E149 Y220 S431 W535	E149-V429 HydrophobicContact CG-CG1 3.72Å; E149-V429 HydrophobicContact CG-CG2 4.49Å; E149-V429 PolarHBondContact OE2-N 3.13Å; Y220-V429 WeakPolarHBondContact CB-O 3.49Å; Y220-V429 HydrophobicContact CD1-CB 3.72Å; Y220-V429 HydrophobicContact CD1-CG1 4.36Å; Y220-V429 HydrophobicContact CD1-CG2 3.92Å; Y220-V429 HydrophobicContact CD2-CB 3.88Å; Y220-V429 HydrophobicContact CD2-CG1 4.4Å; Y220-V429 HydrophobicContact CE1-CB 3.72Å; Y220-V429 HydrophobicContact CE1-CG1 3.83Å; Y220-V429 HydrophobicContact CE1-CG2 4.06Å; Y220-V429 HydrophobicContact CE2-CB 3.86Å; Y220-V429 HydrophobicContact CE2-CG1 3.86Å; Y220-V429 HydrophobicContact CG-CB 3.81Å; Y220-V429 HydrophobicContact CG-CG2 4.36Å; V429-S431 VanDerWaalsContact C-N 3.26Å; V429-S431 PolarHBondContact O-N 3.21Å; V429-W535 HydrophobicContact CG2-CH2 4.1Å; V429-W535 HydrophobicContact CG2-CZ2 3.98Å
430	T	97.6	Very high	97.4	Very high	24 Å²	24	24.1 Å²	24.1	15%	0.147	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.7	171.4	48.4	0	0	0	0	114	I223 M234 K235 N238 P428 W535	I223-T430 HydrophobicContact CD1-CG2 4.26Å; I223-T430 HydrophobicContact CG2-CG2 4.27Å; M234-T430 HydrophobicContact CB-CG2 4.42Å; K235-T430 WeakPolarHBondContact CA-OG1 3.01Å; N238-T430 HydrophobicContact CB-CG2 3.99Å; N238-T430 WeakPolarHBondContact OD1-CG2 3.41Å; N238-T430 PolarHBondContact OD1-N 3.43Å; N238-T430 PolarHBondContact OD1-OG1 3.43Å; P428-T430 PolarHBondContact O-N 3.13Å; P428-T430 VanDerWaalsContact O-N 3.11Å; T430-W535 HydrophobicContact CG2-CH2 3.51Å; T430-W535 HydrophobicContact CG2-CZ3 3.76Å
431	S	96.8	Very high	97.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	-86.7	133	163.5	-173.4	0	0	0	0	109.6	K427 P428 V429 E437	K427-S431 PolarHBondContact NZ-OG 3.33Å; K427-S431 VanDerWaalsContact NZ-OG 3.1Å; P428-S431 WeakPolarHBondContact O-CA 3.22Å; P428-S431 WeakPolarHBondContact O-CB 3.44Å; P428-S431 PolarHBondContact O-N 3.34Å; V429-S431 VanDerWaalsContact C-N 3.26Å; V429-S431 PolarHBondContact O-N 3.21Å; S431-E437 VanDerWaalsContact CB-OE1 3.26Å; S431-E437 WeakPolarHBondContact CB-OE1 3.04Å; S431-E437 PolarHBondContact OG-O 3.1Å; S431-E437 PolarHBondContact OG-OE1 3.3Å
432	R	95.9	Very high	97.5	Very high	27 Å²	27	19.1 Å²	19.1	10%	0.102	9%	0.093	C	C	.	.			trans	-63	135	-173.6	-73.7	166.6	175	162.1	-11	111.1	D32 R214 E221 R231 K427 A434 N435	D32-R432 IonicContact OD2-NH1 3.84Å; D32-R432 PolarHBondContact OD2-NH1 3.02Å; D32-R432 VanDerWaalsContact OD2-NH1 3.11Å; R214-R432 VanDerWaalsContact CZ-NE 3.33Å; R214-R432 VanDerWaalsContact CZ-NH2 3.34Å; E221-R432 IonicContact OE1-CZ 3.01Å; E221-R432 IonicContact OE1-NE 3.49Å; E221-R432 IonicContact OE1-NH2 3.06Å; E221-R432 PolarHBondContact OE1-NH2 3.5Å; E221-R432 IonicContact OE2-NE 3.69Å; R231-R432 VanDerWaalsContact NH1-NH2 3.15Å; R231-R432 VanDerWaalsContact NH2-CZ 3.27Å; R231-R432 VanDerWaalsContact NH2-NH1 3.14Å; K427-R432 WeakPolarHBondContact CE-O 3.49Å; K427-R432 PolarHBondContact NZ-O 3.11Å; R432-A434 VanDerWaalsContact C-N 3.29Å; R432-A434 PolarHBondContact O-N 3.36Å; R432-N435 PolarHBondContact O-N 3.17Å; R432-N435 PolarHBondContact O-OD1 3.07Å
433	P	95.7	Very high	97.6	Very high	36 Å²	36	16.3 Å²	16.3	23%	0.234	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.7	-169.8	24.4	-34.8	0	0	0	113.9	A506	P433-A506 HydrophobicContact CB-CB 3.83Å; P433-A506 HydrophobicContact CG-CB 4.31Å
434	A	94.7	Very high	97.5	Very high	12 Å²	12	16.7 Å²	16.7	10%	0.099	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.4	-176.1	0	0	0	0	0	115.3	R432 Q503 A506 L507 I510	R432-A434 VanDerWaalsContact C-N 3.29Å; R432-A434 PolarHBondContact O-N 3.36Å; A434-Q503 WeakPolarHBondContact O-CG 3.47Å; A434-Q503 PolarHBondContact O-NE2 3.25Å; A434-A506 HydrophobicContact CB-CB 4.03Å; A434-L507 HydrophobicContact CB-CD2 3.95Å; A434-L507 HydrophobicContact CB-CG 4.18Å; A434-I510 HydrophobicContact CB-CD1 3.38Å
435	N	94.3	Very high	97.5	Very high	52 Å²	52	17 Å²	17	28%	0.278	9%	0.089	S	C	.	.	S	Bend	trans	-97.2	161.5	178.7	74.7	10.9	0	0	0	111.8	K427 R432 E437	K427-N435 PolarHBondContact NZ-O 3.46Å; K427-N435 VanDerWaalsContact NZ-O 3.11Å; K427-N435 PolarHBondContact NZ-OD1 3.28Å; R432-N435 PolarHBondContact O-N 3.17Å; R432-N435 PolarHBondContact O-OD1 3.07Å; N435-E437 PolarHBondContact O-N 3.26Å; N435-E437 VanDerWaalsContact OD1-CB 3.32Å; N435-E437 WeakPolarHBondContact OD1-CB 3.06Å; N435-E437 PolarHBondContact OD1-N 3.11Å
436	S	96.8	Very high	97.4	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.042	9%	0.091	C	C	.	.			trans	-77.1	-1.3	179.2	-59.4	0	0	0	0	114.1	K199 F402 D403 R438 Q503	K199-S436 WeakPolarHBondContact CE-OG 3.4Å; K199-S436 PolarHBondContact NZ-OG 3.11Å; F402-S436 CarbonylContact C-O 3.47Å; F402-S436 VanDerWaalsContact CA-O 3.28Å; F402-S436 WeakPolarHBondContact CA-O 3.32Å; D403-S436 VanDerWaalsContact CG-CB 3.46Å; D403-S436 VanDerWaalsContact OD1-CB 3.26Å; D403-S436 WeakPolarHBondContact OD1-CB 3.38Å; D403-S436 PolarHBondContact OD1-OG 2.88Å; D403-S436 VanDerWaalsContact OD2-CB 3.3Å; D403-S436 WeakPolarHBondContact OD2-CB 3.36Å; D403-S436 PolarHBondContact OD2-OG 3.04Å; S436-R438 PolarHBondContact O-N 3.23Å; S436-Q503 PolarHBondContact OG-NE2 2.98Å
437	E	97.6	Very high	97.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.121	C	C	.	.			trans	-63.1	130.7	-177	-177.8	-174.5	82.9	0	0	110.6	K235 K400 K427 S431 N435 Y439	K235-E437 WeakPolarHBondContact CE-OE1 3.18Å; K235-E437 IonicContact NZ-OE1 3.8Å; K235-E437 PolarHBondContact NZ-OE1 2.89Å; K235-E437 IonicContact NZ-OE2 2.76Å; K235-E437 PolarHBondContact NZ-OE2 3.21Å; K400-E437 HydrophobicContact CD-CG 3.69Å; K400-E437 VanDerWaalsContact CD-OE2 3.28Å; K400-E437 WeakPolarHBondContact CD-OE2 3.44Å; K400-E437 HydrophobicContact CG-CG 3.88Å; K427-E437 PolarHBondContact NZ-O 2.94Å; S431-E437 VanDerWaalsContact CB-OE1 3.26Å; S431-E437 WeakPolarHBondContact CB-OE1 3.04Å; S431-E437 PolarHBondContact OG-O 3.1Å; S431-E437 PolarHBondContact OG-OE1 3.3Å; N435-E437 PolarHBondContact O-N 3.26Å; N435-E437 VanDerWaalsContact OD1-CB 3.32Å; N435-E437 WeakPolarHBondContact OD1-CB 3.06Å; N435-E437 PolarHBondContact OD1-N 3.11Å; E437-Y439 HydrophobicContact CG-CE2 4.16Å
438	R	98.1	Very high	97.2	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	174.3	171.1	63.3	-174.5	81.1	169.9	17.1	108.9	K400 T401 D403 I425 K427 S436 N496 H499	K400-R438 WeakPolarHBondContact CA-O 3.41Å; T401-R438 PolarHBondContact N-O 3.1Å; T401-R438 PolarHBondContact O-N 3.43Å; T401-R438 WeakPolarHBondContact OG1-CG 3.42Å; D403-R438 IonicContact OD1-NH2 3.02Å; I425-R438 HydrophobicContact CG2-CB 4.45Å; I425-R438 HydrophobicContact CG2-CG 4.02Å; K427-R438 HydrophobicContact CB-CB 4.28Å; S436-R438 PolarHBondContact O-N 3.23Å; R438-N496 PolarHBondContact NH1-OD1 3.18Å; R438-H499 PolarHBondContact NE-ND1 3.26Å; R438-H499 PolarHBondContact NH2-CD2 3.3Å; R438-H499 PolarHBondContact NH2-NE2 2.87Å
439	Y	98.8	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.1	-175.5	-69.1	-93.7	0	0	0	110.6	K235 M239 F279 D360 V398 C399 K400 I425 F426 P428 E437	K235-Y439 HydrophobicContact CD-CE2 4.25Å; K235-Y439 WeakPolarHBondContact CD-OH 3.31Å; K235-Y439 PolarHBondContact NZ-OH 3.5Å; M239-Y439 HydrophobicContact CE-CD1 3.85Å; M239-Y439 HydrophobicContact CE-CD2 4.2Å; M239-Y439 HydrophobicContact CE-CE1 3.93Å; M239-Y439 HydrophobicContact CE-CE2 4.28Å; M239-Y439 HydrophobicContact CE-CG 4Å; M239-Y439 HydrophobicContact SD-CD1 4.05Å; M239-Y439 HydrophobicContact SD-CD2 3.89Å; M239-Y439 HydrophobicContact SD-CE2 4.5Å; M239-Y439 HydrophobicContact SD-CG 3.65Å; F279-Y439 HydrophobicContact CE2-CE1 4.35Å; F279-Y439 AromaticContact CZ-CE1 3.93Å; F279-Y439 HydrophobicContact CZ-CE1 3.93Å; D360-Y439 PolarHBondContact OD1-OH 3.22Å; D360-Y439 VanDerWaalsContact OD1-OH 3.13Å; V398-Y439 HydrophobicContact CG2-CD1 3.77Å; V398-Y439 HydrophobicContact CG2-CG 4.38Å; C399-Y439 CarbonylContact O-C 3.6Å; C399-Y439 VanDerWaalsContact O-CA 3.26Å; C399-Y439 WeakPolarHBondContact O-CA 3.26Å; K400-Y439 HydrophobicContact CB-CD1 4.07Å; K400-Y439 HydrophobicContact CB-CE1 3.6Å; K400-Y439 HydrophobicContact CG-CE1 4.32Å; I425-Y439 WeakPolarHBondContact CA-O 3.42Å; F426-Y439 PolarHBondContact N-O 2.98Å; F426-Y439 PolarHBondContact O-N 2.78Å; P428-Y439 HydrophobicContact CG-CD2 3.91Å; P428-Y439 HydrophobicContact CG-CE2 3.97Å; E437-Y439 HydrophobicContact CG-CE2 4.16Å
440	V	98.8	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124	165.2	-178.8	0	0	0	0	107.5	F384 V398 C399 T401 V413 L416 C424 I425	F384-V440 HydrophobicContact CZ-CG2 4.42Å; V398-V440 WeakPolarHBondContact CA-O 3.43Å; C399-V440 PolarHBondContact N-O 3.38Å; C399-V440 PolarHBondContact O-N 3.34Å; T401-V440 HydrophobicContact CG2-CG2 3.71Å; V413-V440 HydrophobicContact CG2-CG2 4.14Å; L416-V440 HydrophobicContact CD1-CG1 4.04Å; C424-V440 WeakPolarHBondContact O-CA 3.32Å; I425-V440 HydrophobicContact CG1-CG2 4.34Å
441	I	98.8	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	-177.3	-50.9	-67.2	0	0	0	107.8	W153 M239 F243 M246 F247 V398 I423 C424 F426	W153-I441 HydrophobicContact CH2-CG2 4.23Å; M239-I441 HydrophobicContact SD-CD1 3.98Å; F243-I441 HydrophobicContact CD1-CG2 4.12Å; F243-I441 HydrophobicContact CD2-CD1 4.46Å; F243-I441 HydrophobicContact CD2-CG2 4.25Å; F243-I441 HydrophobicContact CE1-CB 4.36Å; F243-I441 HydrophobicContact CE1-CG1 4.34Å; F243-I441 HydrophobicContact CE1-CG2 3.91Å; F243-I441 HydrophobicContact CE2-CB 4.42Å; F243-I441 HydrophobicContact CE2-CD1 3.88Å; F243-I441 HydrophobicContact CE2-CG1 3.67Å; F243-I441 HydrophobicContact CE2-CG2 4.12Å; F243-I441 HydrophobicContact CG-CG2 4.3Å; F243-I441 HydrophobicContact CZ-CB 4.09Å; F243-I441 HydrophobicContact CZ-CD1 4.32Å; F243-I441 HydrophobicContact CZ-CG1 3.59Å; F243-I441 HydrophobicContact CZ-CG2 3.96Å; M246-I441 HydrophobicContact CE-CG2 3.34Å; F247-I441 HydrophobicContact CZ-CG2 4.4Å; V398-I441 HydrophobicContact CB-CD1 3.84Å; V398-I441 HydrophobicContact CG2-CD1 3.4Å; V398-I441 VanDerWaalsContact CG2-CD1 3.4Å; I423-I441 CarbonylContact C-O 3.49Å; I423-I441 WeakPolarHBondContact CA-O 3.26Å; C424-I441 PolarHBondContact N-O 2.77Å; C424-I441 PolarHBondContact O-N 3.28Å; F426-I441 HydrophobicContact CB-CG1 4.19Å
442	C	98.8	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.2	-179.1	-43.7	0	0	0	0	110.5	H396 F397 F420 I423	H396-C442 CarbonylContact C-O 3.52Å; H396-C442 WeakPolarHBondContact CA-O 3.49Å; F397-C442 HydrophobicContact CB-CB 4.12Å; F397-C442 PolarHBondContact N-O 3.12Å; F397-C442 PolarHBondContact O-N 2.83Å; F420-C442 HydrophobicContact CB-CB 4.02Å; F420-C442 HydrophobicContact CD1-CB 3.41Å; F420-C442 VanDerWaalsContact CD1-CB 3.41Å; F420-C442 HydrophobicContact CD2-CB 3.68Å; F420-C442 HydrophobicContact CE1-CB 3.64Å; F420-C442 HydrophobicContact CE2-CB 3.9Å; F420-C442 HydrophobicContact CG-CB 3.43Å; F420-C442 VanDerWaalsContact CG-CB 3.43Å; F420-C442 HydrophobicContact CZ-CB 3.87Å; I423-C442 HydrophobicContact CG2-CB 4.09Å
443	K	97.9	Very high	97.5	Very high	80 Å²	80	28.7 Å²	28.7	35%	0.348	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.6	-176.8	-176.5	175.9	-179.1	171.9	0	110.2	W153 M246 E421 R422	W153-K443 HydrophobicContact CH2-CB 3.89Å; W153-K443 HydrophobicContact CH2-CD 4.17Å; W153-K443 HydrophobicContact CZ3-CB 4.06Å; M246-K443 HydrophobicContact SD-CB 4.36Å; M246-K443 HydrophobicContact SD-CD 4.1Å; M246-K443 HydrophobicContact SD-CG 4.18Å; E421-K443 WeakPolarHBondContact CB-O 3.3Å; E421-K443 PolarHBondContact N-O 2.89Å; R422-K443 PolarHBondContact N-O 2.97Å; R422-K443 VanDerWaalsContact N-O 3.17Å; R422-K443 PolarHBondContact O-N 3.07Å
444	G	97.2	Very high	97.7	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	88.3	173	0	0	0	0	0	112.5	G395 H396 F420 E421 K446	G395-G444 CarbonylContact O-C 3.4Å; G395-G444 VanDerWaalsContact O-CA 3.23Å; G395-G444 WeakPolarHBondContact O-CA 3.25Å; G395-G444 PolarHBondContact O-N 3.32Å; H396-G444 PolarHBondContact ND1-N 2.95Å; F420-G444 CarbonylContact C-O 3.51Å; F420-G444 VanDerWaalsContact CA-O 3.31Å; F420-G444 WeakPolarHBondContact CA-O 3.27Å; E421-G444 WeakPolarHBondContact CG-O 3.2Å; E421-G444 PolarHBondContact N-O 3.29Å; G444-K446 PolarHBondContact O-N 2.7Å
445	L	98.3	Very high	97.9	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.7	173.4	-174.6	71.5	0	0	0	110.3	L388 V391 G394 G395 C419 F420 I449	L388-L445 HydrophobicContact CD2-CD1 3.69Å; V391-L445 HydrophobicContact CB-CD2 4.2Å; V391-L445 HydrophobicContact CG1-CB 4.26Å; V391-L445 HydrophobicContact CG1-CD2 4.25Å; V391-L445 VanDerWaalsContact O-CD2 3.24Å; V391-L445 WeakPolarHBondContact O-CD2 3.45Å; G394-L445 PolarHBondContact N-O 3.14Å; G395-L445 PolarHBondContact O-N 3.45Å; C419-L445 HydrophobicContact CB-CD1 4.37Å; F420-L445 HydrophobicContact CD1-CB 4.12Å; F420-L445 HydrophobicContact CD1-CD1 4.35Å; F420-L445 HydrophobicContact CD2-CD1 4.02Å; F420-L445 HydrophobicContact CE1-CB 3.77Å; F420-L445 HydrophobicContact CE1-CD1 3.95Å; F420-L445 HydrophobicContact CE1-CG 4.48Å; F420-L445 HydrophobicContact CE2-CD1 3.58Å; F420-L445 HydrophobicContact CG-CD1 4.38Å; F420-L445 HydrophobicContact CZ-CB 4.21Å; F420-L445 HydrophobicContact CZ-CD1 3.56Å; F420-L445 HydrophobicContact CZ-CG 4.45Å; L445-I449 HydrophobicContact CD1-CG1 4.21Å; L445-I449 HydrophobicContact CD1-CG2 4.28Å; L445-I449 HydrophobicContact CD2-CG1 4.3Å; L445-I449 HydrophobicContact CG-CG1 4.34Å
446	K	97.6	Very high	98.1	Very high	29 Å²	29	29 Å²	29	13%	0.126	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-72.3	167.2	177.8	-69.9	167.3	171.5	164.4	0	111.7	I161 C418 C419 F420 E421 G444 I449	I161-K446 HydrophobicContact CD1-CB 3.98Å; I161-K446 HydrophobicContact CD1-CD 4.32Å; C418-K446 VanDerWaalsContact O-CD 3.28Å; C418-K446 WeakPolarHBondContact O-CD 3.47Å; C418-K446 PolarHBondContact O-NZ 3.26Å; C418-K446 VanDerWaalsContact O-NZ 3.16Å; C419-K446 WeakPolarHBondContact O-CB 3.44Å; C419-K446 PolarHBondContact O-N 2.92Å; F420-K446 WeakPolarHBondContact O-CE 3.43Å; F420-K446 PolarHBondContact O-NZ 3.44Å; F420-K446 VanDerWaalsContact O-NZ 3.12Å; E421-K446 WeakPolarHBondContact OE1-CG 3.22Å; G444-K446 PolarHBondContact O-N 2.7Å; K446-I449 HydrophobicContact CB-CG2 4.43Å
447	L	96.8	Very high	98.2	Very high	130 Å²	130	31.2 Å²	31.2	68%	0.681	17%	0.169	S	C	*	.	S	Bend	trans	-80.9	156.7	168.3	-71.6	169.6	0	0	0	110.4	I161 T393	I161-L447 WeakPolarHBondContact CD1-O 3.37Å; T393-L447 HydrophobicContact CG2-CD2 3.59Å; T393-L447 HydrophobicContact CG2-CG 3.72Å; T393-L447 WeakPolarHBondContact OG1-CD2 3.41Å
448	G	95.9	Very high	98.2	Very high	53 Å²	53	36.7 Å²	36.7	55%	0.546	20%	0.195	S	C	.	.			trans	78.8	21.5	173.3	0	0	0	0	0	115.3	D450	G448-D450 VanDerWaalsContact C-N 3.25Å; G448-D450 PolarHBondContact O-N 3.16Å
449	I	98	Very high	98.3	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.067	20%	0.195	C	C	.	.			trans	-81.9	2.6	-178.8	58.3	70.5	0	0	0	114.1	I161 L388 C419 L445 K446 D451 V452 R453	I161-I449 HydrophobicContact CD1-CG2 3.88Å; L388-I449 HydrophobicContact CB-CD1 4.41Å; L388-I449 WeakPolarHBondContact O-CD1 3.25Å; C419-I449 HydrophobicContact CB-CB 4.48Å; C419-I449 HydrophobicContact CB-CG2 3.73Å; L445-I449 HydrophobicContact CD1-CG1 4.21Å; L445-I449 HydrophobicContact CD1-CG2 4.28Å; L445-I449 HydrophobicContact CD2-CG1 4.3Å; L445-I449 HydrophobicContact CG-CG1 4.34Å; K446-I449 HydrophobicContact CB-CG2 4.43Å; I449-D451 VanDerWaalsContact C-N 3.34Å; I449-D451 PolarHBondContact O-N 3.06Å; I449-V452 PolarHBondContact O-N 3Å; I449-R453 PolarHBondContact O-N 2.69Å
450	D	98.3	Very high	98.3	Very high	76 Å²	76	36.5 Å²	36.5	41%	0.406	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-40.1	-171	-68.9	-87.5	0	0	0	112.8	G448 V452 R453 D454	G448-D450 VanDerWaalsContact C-N 3.25Å; G448-D450 PolarHBondContact O-N 3.16Å; D450-V452 PolarHBondContact O-N 3.16Å; D450-R453 WeakPolarHBondContact O-CB 3.42Å; D450-R453 PolarHBondContact O-N 3.17Å; D450-R453 IonicContact OD1-CZ 2.82Å; D450-R453 VanDerWaalsContact OD1-CZ 3.25Å; D450-R453 IonicContact OD1-NH1 3.17Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å; D450-R453 IonicContact OD1-NH2 3.73Å; D450-R453 PolarHBondContact OD1-NH2 2.98Å; D450-R453 VanDerWaalsContact OD1-NH2 3.15Å; D450-D454 WeakPolarHBondContact O-CB 3.08Å; D450-D454 VanDerWaalsContact O-CG 3.25Å; D450-D454 PolarHBondContact O-N 2.84Å
451	D	98.6	Very high	98.2	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.342	21%	0.207	S	C	.	.	H	α-helix	trans	-65	-41.2	180	-72.9	-9.9	0	0	0	111.7	A164 L167 I449 D454 Y455	A164-D451 HydrophobicContact CB-CB 4.36Å; A164-D451 PolarHBondContact N-OD2 2.85Å; L167-D451 HydrophobicContact CD1-CB 4.05Å; I449-D451 VanDerWaalsContact C-N 3.34Å; I449-D451 PolarHBondContact O-N 3.06Å; D451-D454 PolarHBondContact O-N 3.34Å; D451-Y455 VanDerWaalsContact O-CB 3.27Å; D451-Y455 WeakPolarHBondContact O-CB 3.4Å; D451-Y455 PolarHBondContact O-N 3.47Å
452	V	98.8	Very high	98.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-41.3	175.3	179.5	0	0	0	0	111.1	I161 L167 L388 L415 I449 D450 Y455 L456	I161-V452 HydrophobicContact CG2-CG2 3.77Å; L167-V452 HydrophobicContact CD1-CG2 4.02Å; L388-V452 HydrophobicContact CD1-CB 4.42Å; L388-V452 HydrophobicContact CD1-CG1 3.76Å; L415-V452 HydrophobicContact CB-CG1 4.11Å; L415-V452 HydrophobicContact CD1-CG1 4.44Å; L415-V452 HydrophobicContact CD2-CG1 4Å; L415-V452 HydrophobicContact CG-CG1 4.42Å; I449-V452 PolarHBondContact O-N 3Å; D450-V452 PolarHBondContact O-N 3.16Å; V452-Y455 PolarHBondContact O-N 3.05Å; V452-L456 WeakPolarHBondContact O-CG 3.3Å; V452-L456 PolarHBondContact O-N 3.5Å
453	R	98.6	Very high	98.2	Very high	32 Å²	32	43.1 Å²	43.1	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-49.6	174.6	178.8	-160.2	65.6	-139.2	-8.4	110.6	L385 L388 I449 D450 Y455 L456 F457	L385-R453 HydrophobicContact CD1-CG 3.98Å; L385-R453 VanDerWaalsContact CD1-O 3.24Å; L385-R453 WeakPolarHBondContact CD1-O 3.5Å; L388-R453 HydrophobicContact CB-CB 4.14Å; L388-R453 HydrophobicContact CB-CG 4.39Å; I449-R453 PolarHBondContact O-N 2.69Å; D450-R453 WeakPolarHBondContact O-CB 3.42Å; D450-R453 PolarHBondContact O-N 3.17Å; D450-R453 IonicContact OD1-CZ 2.82Å; D450-R453 VanDerWaalsContact OD1-CZ 3.25Å; D450-R453 IonicContact OD1-NH1 3.17Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å; D450-R453 IonicContact OD1-NH2 3.73Å; D450-R453 PolarHBondContact OD1-NH2 2.98Å; D450-R453 VanDerWaalsContact OD1-NH2 3.15Å; R453-Y455 VanDerWaalsContact C-N 3.33Å; R453-Y455 PolarHBondContact O-N 3.14Å; R453-L456 PolarHBondContact O-N 2.86Å; R453-F457 WeakPolarHBondContact O-CB 3.26Å; R453-F457 PolarHBondContact O-N 3.41Å
454	D	98.6	Very high	98.2	Very high	81 Å²	81	41.6 Å²	41.6	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-69.3	-34.9	-175.9	-66.6	-7.6	0	0	0	111.2	D450 D451 F457 M458	D450-D454 WeakPolarHBondContact O-CB 3.08Å; D450-D454 VanDerWaalsContact O-CG 3.25Å; D450-D454 PolarHBondContact O-N 2.84Å; D451-D454 PolarHBondContact O-N 3.34Å; D454-F457 WeakPolarHBondContact O-CB 3.16Å; D454-F457 PolarHBondContact O-N 3.23Å; D454-M458 PolarHBondContact O-N 3.43Å
455	Y	98.8	Very high	98.3	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.09	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-53.5	169.7	171.9	-103.7	0	0	0	112.2	L167 M171 L415 D451 V452 R453 F457 M458 V459 V476	L167-Y455 HydrophobicContact CB-CD2 3.87Å; L167-Y455 HydrophobicContact CB-CE2 4.45Å; L167-Y455 HydrophobicContact CB-CG 4.05Å; L167-Y455 HydrophobicContact CD1-CG 4.37Å; L167-Y455 HydrophobicContact CD2-CD1 3.98Å; L167-Y455 HydrophobicContact CD2-CD2 4.5Å; L167-Y455 HydrophobicContact CD2-CE1 4.39Å; L167-Y455 HydrophobicContact CD2-CG 4.05Å; L167-Y455 HydrophobicContact CG-CG 4.4Å; L167-Y455 WeakPolarHBondContact O-CE2 3.39Å; M171-Y455 WeakPolarHBondContact CA-OH 3.37Å; M171-Y455 HydrophobicContact CB-CE2 4.11Å; M171-Y455 WeakPolarHBondContact CB-OH 3.5Å; M171-Y455 PolarHBondContact N-OH 3.1Å; L415-Y455 HydrophobicContact CD1-CD1 4.29Å; L415-Y455 HydrophobicContact CD1-CE1 4.12Å; D451-Y455 VanDerWaalsContact O-CB 3.27Å; D451-Y455 WeakPolarHBondContact O-CB 3.4Å; D451-Y455 PolarHBondContact O-N 3.47Å; V452-Y455 PolarHBondContact O-N 3.05Å; R453-Y455 VanDerWaalsContact C-N 3.33Å; R453-Y455 PolarHBondContact O-N 3.14Å; Y455-F457 PolarHBondContact O-N 2.89Å; Y455-M458 WeakPolarHBondContact O-CA 3.46Å; Y455-M458 WeakPolarHBondContact O-CB 3.23Å; Y455-M458 PolarHBondContact O-N 3.25Å; Y455-V459 HydrophobicContact CD1-CG2 4.25Å; Y455-V459 HydrophobicContact CD2-CG2 4.35Å; Y455-V459 HydrophobicContact CE1-CG2 3.77Å; Y455-V459 HydrophobicContact CE2-CG2 3.9Å; Y455-V459 WeakPolarHBondContact O-CG2 3.31Å; Y455-V459 PolarHBondContact O-N 2.98Å; Y455-V476 HydrophobicContact CE1-CB 4.29Å; Y455-V476 WeakPolarHBondContact OH-CA 3.17Å; Y455-V476 PolarHBondContact OH-O 3.46Å
456	L	98.8	Very high	98.2	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-33.7	178.7	-71.7	-175.7	0	0	0	112.1	L381 L385 L388 L412 L415 V452 R453 M458 V459 N460	L381-L456 HydrophobicContact CD1-CD2 4.32Å; L381-L456 HydrophobicContact CG-CD2 4.31Å; L385-L456 HydrophobicContact CB-CB 4.17Å; L385-L456 HydrophobicContact CD1-CB 4.03Å; L388-L456 HydrophobicContact CD1-CD1 4Å; L412-L456 HydrophobicContact CD2-CD2 3.71Å; L415-L456 HydrophobicContact CD1-CD2 3.68Å; L415-L456 HydrophobicContact CD1-CG 4.25Å; V452-L456 WeakPolarHBondContact O-CG 3.3Å; V452-L456 PolarHBondContact O-N 3.5Å; R453-L456 PolarHBondContact O-N 2.86Å; L456-M458 VanDerWaalsContact C-N 3.35Å; L456-V459 PolarHBondContact O-N 3.23Å; L456-N460 PolarHBondContact O-N 2.92Å
457	F	98.8	Very high	98	Very high	54 Å²	54	50.2 Å²	50.2	24%	0.237	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-44	172.7	-166.1	-92.3	0	0	0	111.6	P335 I338 L385 R453 D454 Y455 N460 I461	P335-F457 HydrophobicContact CB-CE1 4.25Å; P335-F457 HydrophobicContact CB-CE2 4.2Å; P335-F457 HydrophobicContact CB-CZ 3.65Å; I338-F457 HydrophobicContact CB-CE2 4.42Å; I338-F457 HydrophobicContact CG2-CD2 4.45Å; I338-F457 HydrophobicContact CG2-CE2 4.28Å; L385-F457 HydrophobicContact CD1-CB 4.05Å; L385-F457 HydrophobicContact CD1-CD2 4.46Å; L385-F457 HydrophobicContact CD2-CB 4.2Å; L385-F457 HydrophobicContact CD2-CD2 4.04Å; R453-F457 WeakPolarHBondContact O-CB 3.26Å; R453-F457 PolarHBondContact O-N 3.41Å; D454-F457 WeakPolarHBondContact O-CB 3.16Å; D454-F457 PolarHBondContact O-N 3.23Å; Y455-F457 PolarHBondContact O-N 2.89Å; F457-N460 PolarHBondContact O-N 3.18Å; F457-I461 HydrophobicContact CD1-CD1 3.74Å; F457-I461 HydrophobicContact CD1-CG1 4.48Å; F457-I461 HydrophobicContact CE1-CD1 3.61Å; F457-I461 HydrophobicContact CE1-CG1 4.4Å; F457-I461 WeakPolarHBondContact O-CG1 3.39Å; F457-I461 PolarHBondContact O-N 3.32Å; F457-I461 VanDerWaalsContact O-N 3.11Å
458	M	98.6	Very high	97.8	Very high	116 Å²	116	51.9 Å²	51.9	57%	0.571	26%	0.264	S	S	*	.	H	α-helix	trans	-63.3	-43.3	174.7	-171.7	65.8	66.5	0	0	112.2	D454 Y455 L456 N460 I461 R462	D454-M458 PolarHBondContact O-N 3.43Å; Y455-M458 WeakPolarHBondContact O-CA 3.46Å; Y455-M458 WeakPolarHBondContact O-CB 3.23Å; Y455-M458 PolarHBondContact O-N 3.25Å; L456-M458 VanDerWaalsContact C-N 3.35Å; M458-N460 VanDerWaalsContact C-N 3.32Å; M458-N460 PolarHBondContact O-N 2.79Å; M458-I461 PolarHBondContact O-N 3.22Å; M458-R462 PolarHBondContact O-N 2.89Å
459	V	98.8	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-41.8	176.8	178.5	0	0	0	0	110.7	M171 L381 Y455 L456 I461 R462 L463 V473 V476	M171-V459 HydrophobicContact CG-CG2 4.32Å; M171-V459 HydrophobicContact SD-CB 4.49Å; M171-V459 HydrophobicContact SD-CG2 3.98Å; L381-V459 HydrophobicContact CD1-CB 3.94Å; L381-V459 HydrophobicContact CD1-CG1 3.4Å; Y455-V459 HydrophobicContact CD1-CG2 4.25Å; Y455-V459 HydrophobicContact CD2-CG2 4.35Å; Y455-V459 HydrophobicContact CE1-CG2 3.77Å; Y455-V459 HydrophobicContact CE2-CG2 3.9Å; Y455-V459 WeakPolarHBondContact O-CG2 3.31Å; Y455-V459 PolarHBondContact O-N 2.98Å; L456-V459 PolarHBondContact O-N 3.23Å; V459-I461 PolarHBondContact O-N 2.73Å; V459-R462 WeakPolarHBondContact O-CB 3.42Å; V459-R462 PolarHBondContact O-N 2.67Å; V459-R462 VanDerWaalsContact O-N 3.14Å; V459-L463 HydrophobicContact CG1-CD1 4.33Å; V459-L463 HydrophobicContact CG1-CG 4.48Å; V459-L463 WeakPolarHBondContact O-CG 3.32Å; V459-L463 PolarHBondContact O-N 3.1Å; V459-V473 HydrophobicContact CG1-CG1 4.09Å; V459-V473 HydrophobicContact CG1-CG2 4.5Å; V459-V476 HydrophobicContact CG1-CG1 3.95Å; V459-V476 HydrophobicContact CG2-CG1 4.44Å
460	N	98.8	Very high	97.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175.7	-178.1	37.3	0	0	0	112.3	T333 Q378 L381 C382 L385 L456 F457 M458 R462 L463 N464	T333-N460 PolarHBondContact O-ND2 2.89Å; T333-N460 PolarHBondContact O-OD1 3.23Å; Q378-N460 PolarHBondContact NE2-OD1 2.91Å; L381-N460 HydrophobicContact CD2-CB 3.73Å; C382-N460 PolarHBondContact SG-OD1 3.35Å; L385-N460 HydrophobicContact CD2-CB 4.35Å; L456-N460 PolarHBondContact O-N 2.92Å; F457-N460 PolarHBondContact O-N 3.18Å; M458-N460 VanDerWaalsContact C-N 3.32Å; M458-N460 PolarHBondContact O-N 2.79Å; N460-R462 PolarHBondContact O-N 2.83Å; N460-L463 PolarHBondContact O-N 2.93Å; N460-N464 PolarHBondContact O-N 3.37Å; N460-N464 PolarHBondContact O-ND2 3.28Å
461	I	98.6	Very high	97.7	Very high	48 Å²	48	54.7 Å²	54.7	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-43.2	174.1	-69.3	169	0	0	0	110	P335 F457 M458 V459 N464 Q465	P335-I461 HydrophobicContact CB-CG1 4.35Å; P335-I461 HydrophobicContact CG-CG1 3.78Å; F457-I461 HydrophobicContact CD1-CD1 3.74Å; F457-I461 HydrophobicContact CD1-CG1 4.48Å; F457-I461 HydrophobicContact CE1-CD1 3.61Å; F457-I461 HydrophobicContact CE1-CG1 4.4Å; F457-I461 WeakPolarHBondContact O-CG1 3.39Å; F457-I461 PolarHBondContact O-N 3.32Å; F457-I461 VanDerWaalsContact O-N 3.11Å; M458-I461 PolarHBondContact O-N 3.22Å; V459-I461 PolarHBondContact O-N 2.73Å; I461-N464 PolarHBondContact O-N 3.36Å; I461-Q465 WeakPolarHBondContact O-CG 3.46Å; I461-Q465 PolarHBondContact O-N 2.93Å; I461-Q465 VanDerWaalsContact O-N 3.08Å
462	R	98.3	Very high	97.6	Very high	85 Å²	85	52 Å²	52	32%	0.321	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-45	178.3	-172.2	58.3	175.9	167.8	2.1	112.2	M171 V173 M458 V459 N460 N464 Q465 L466 V473	M171-R462 HydrophobicContact CE-CG 4.17Å; M171-R462 HydrophobicContact SD-CB 4.02Å; M171-R462 HydrophobicContact SD-CG 3.95Å; V173-R462 HydrophobicContact CG2-CG 4.47Å; M458-R462 PolarHBondContact O-N 2.89Å; V459-R462 WeakPolarHBondContact O-CB 3.42Å; V459-R462 PolarHBondContact O-N 2.67Å; V459-R462 VanDerWaalsContact O-N 3.14Å; N460-R462 PolarHBondContact O-N 2.83Å; R462-N464 VanDerWaalsContact C-N 3.3Å; R462-N464 PolarHBondContact O-N 2.92Å; R462-Q465 WeakPolarHBondContact O-CB 3.04Å; R462-Q465 PolarHBondContact O-N 3.04Å; R462-Q465 VanDerWaalsContact O-N 3.14Å; R462-L466 HydrophobicContact CG-CD1 4.15Å; R462-L466 WeakPolarHBondContact O-CG 3.42Å; R462-L466 PolarHBondContact O-N 2.91Å; R462-L466 VanDerWaalsContact O-N 3.08Å; R462-V473 HydrophobicContact CB-CG2 4.29Å; R462-V473 HydrophobicContact CG-CG2 3.83Å
463	L	98.4	Very high	97.6	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-57.5	-42.7	174.9	-74.2	171	0	0	0	111.9	Q378 L381 F408 V459 N460 Q465 L466 R467 D472 V473	Q378-L463 HydrophobicContact CB-CD1 4.17Å; Q378-L463 HydrophobicContact CG-CB 4.34Å; Q378-L463 HydrophobicContact CG-CD1 4Å; L381-L463 HydrophobicContact CD1-CD1 3.94Å; F408-L463 HydrophobicContact CZ-CD1 4.18Å; V459-L463 HydrophobicContact CG1-CD1 4.33Å; V459-L463 HydrophobicContact CG1-CG 4.48Å; V459-L463 WeakPolarHBondContact O-CG 3.32Å; V459-L463 PolarHBondContact O-N 3.1Å; N460-L463 PolarHBondContact O-N 2.93Å; L463-Q465 VanDerWaalsContact C-N 3.34Å; L463-Q465 PolarHBondContact O-N 2.76Å; L463-L466 CarbonylContact O-C 3.59Å; L463-L466 PolarHBondContact O-N 3.01Å; L463-L466 VanDerWaalsContact O-N 3.13Å; L463-R467 PolarHBondContact O-N 3.34Å; L463-D472 WeakPolarHBondContact CD2-OD1 3.39Å; L463-V473 HydrophobicContact CD2-CB 3.82Å; L463-V473 HydrophobicContact CD2-CG2 3.88Å; L463-V473 HydrophobicContact CG-CB 4.41Å; L463-V473 HydrophobicContact CG-CG2 4.14Å
464	N	98.2	Very high	97.6	Very high	48 Å²	48	52.8 Å²	52.8	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-40.1	175.8	-78.3	-37.9	0	0	0	112.6	T333 Q378 N460 I461 R462 L466	T333-N464 PolarHBondContact O-ND2 3.31Å; Q378-N464 PolarHBondContact NE2-OD1 3.35Å; N460-N464 PolarHBondContact O-N 3.37Å; N460-N464 PolarHBondContact O-ND2 3.28Å; I461-N464 PolarHBondContact O-N 3.36Å; R462-N464 VanDerWaalsContact C-N 3.3Å; R462-N464 PolarHBondContact O-N 2.92Å; N464-L466 VanDerWaalsContact C-N 3.27Å; N464-L466 PolarHBondContact O-N 3.18Å
465	Q	98	Very high	97.6	Very high	123 Å²	123	50.7 Å²	50.7	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-64.9	-31.1	175	-67.8	168.9	0.9	0	0	112.6	I461 R462 L463	I461-Q465 WeakPolarHBondContact O-CG 3.46Å; I461-Q465 PolarHBondContact O-N 2.93Å; I461-Q465 VanDerWaalsContact O-N 3.08Å; R462-Q465 WeakPolarHBondContact O-CB 3.04Å; R462-Q465 PolarHBondContact O-N 3.04Å; R462-Q465 VanDerWaalsContact O-N 3.14Å; L463-Q465 VanDerWaalsContact C-N 3.34Å; L463-Q465 PolarHBondContact O-N 2.76Å
466	L	97.6	Very high	97.6	Very high	11 Å²	11	49.6 Å²	49.6	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-95.3	-0	-175.6	-61.6	-175.7	0	0	0	114.1	V173 R176 R462 L463 N464 N468 S469 V471 V473	V173-L466 HydrophobicContact CG1-CD1 3.84Å; V173-L466 HydrophobicContact CG2-CD1 4.25Å; R176-L466 PolarHBondContact NH2-O 3.22Å; R462-L466 HydrophobicContact CG-CD1 4.15Å; R462-L466 WeakPolarHBondContact O-CG 3.42Å; R462-L466 PolarHBondContact O-N 2.91Å; R462-L466 VanDerWaalsContact O-N 3.08Å; L463-L466 CarbonylContact O-C 3.59Å; L463-L466 PolarHBondContact O-N 3.01Å; L463-L466 VanDerWaalsContact O-N 3.13Å; N464-L466 VanDerWaalsContact C-N 3.27Å; N464-L466 PolarHBondContact O-N 3.18Å; L466-N468 PolarHBondContact O-N 2.87Å; L466-S469 WeakPolarHBondContact O-CB 3.36Å; L466-S469 PolarHBondContact O-N 3.27Å; L466-V471 HydrophobicContact CD1-CG2 4.33Å; L466-V471 HydrophobicContact CD2-CG2 3.79Å; L466-V473 HydrophobicContact CD1-CG2 4.29Å
467	R	93.2	Very high	97.6	Very high	89 Å²	89	49.5 Å²	49.5	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-36.9	-170.5	-171.5	176.9	-100	-174.9	-0.5	114.2	R176 T333 Q378 L463	R176-R467 PolarHBondContact NH2-O 2.79Å; T333-R467 PolarHBondContact OG1-NH2 3.14Å; Q378-R467 VanDerWaalsContact OE1-NH2 3.08Å; L463-R467 PolarHBondContact O-N 3.34Å
468	N	93	Very high	97.5	Very high	166 Å²	166	48 Å²	48	89%	0.888	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	23	-179.6	-60.1	-30.9	0	0	0	113.4	L466	L466-N468 PolarHBondContact O-N 2.87Å
469	S	95.2	Very high	97.5	Very high	38 Å²	38	44 Å²	44	27%	0.266	22%	0.224	S	C	.	.	S	Bend	trans	-105.6	158.3	179.6	174	0	0	0	0	111.7	R176 L466 V471	R176-S469 PolarHBondContact NE-O 2.86Å; L466-S469 WeakPolarHBondContact O-CB 3.36Å; L466-S469 PolarHBondContact O-N 3.27Å; S469-V471 PolarHBondContact O-N 3.41Å; S469-V471 WeakPolarHBondContact OG-CG2 3.27Å; S469-V471 PolarHBondContact OG-N 2.98Å; S469-V471 VanDerWaalsContact OG-N 3.12Å
470	D	95.8	Very high	97.5	Very high	121 Å²	121	49.8 Å²	49.8	65%	0.647	26%	0.255	S	S	*	.	S	Bend	trans	-72.7	-7.9	168.9	65.4	-38.5	0	0	0	113.9	R176	R176-D470 WeakPolarHBondContact CB-O 3.4Å; R176-D470 PolarHBondContact N-O 3.36Å
471	V	97.6	Very high	97.4	Very high	42 Å²	42	51.4 Å²	51.4	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	156.7	169.5	-61.8	0	0	0	0	111.8	V173 G174 L466 S469	V173-V471 HydrophobicContact CG1-CB 3.99Å; V173-V471 HydrophobicContact CG1-CG2 4.06Å; G174-V471 CarbonylContact O-C 3.49Å; G174-V471 WeakPolarHBondContact O-CA 3.22Å; G174-V471 WeakPolarHBondContact O-CB 3.24Å; L466-V471 HydrophobicContact CD1-CG2 4.33Å; L466-V471 HydrophobicContact CD2-CG2 3.79Å; S469-V471 PolarHBondContact O-N 3.41Å; S469-V471 WeakPolarHBondContact OG-CG2 3.27Å; S469-V471 PolarHBondContact OG-N 2.98Å; S469-V471 VanDerWaalsContact OG-N 3.12Å
472	D	98.3	Very high	97.4	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164.9	179.3	-166.8	19	0	0	0	110.8	V173 G174 R176 K377 L463 N474	V173-D472 WeakPolarHBondContact CA-O 3.46Å; G174-D472 PolarHBondContact N-O 3.22Å; G174-D472 PolarHBondContact O-N 2.87Å; R176-D472 HydrophobicContact CB-CB 4.12Å; R176-D472 HydrophobicContact CG-CB 4.33Å; K377-D472 IonicContact NZ-OD1 2.78Å; K377-D472 IonicContact NZ-OD2 2.75Å; K377-D472 PolarHBondContact NZ-OD2 3.44Å; L463-D472 WeakPolarHBondContact CD2-OD1 3.39Å; D472-N474 PolarHBondContact O-N 3.45Å
473	V	98.4	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	107.5	171.4	-178.3	0	0	0	0	108.5	M171 T172 V173 K377 F408 V459 R462 L463 L466 V476	M171-V473 HydrophobicContact CG-CG1 3.79Å; M171-V473 HydrophobicContact SD-CG1 4.46Å; M171-V473 HydrophobicContact SD-CG2 4.25Å; T172-V473 CarbonylContact O-C 3.56Å; V173-V473 HydrophobicContact CG2-CG2 4.24Å; K377-V473 PolarHBondContact NZ-O 3.3Å; F408-V473 HydrophobicContact CD2-CG1 4.46Å; F408-V473 WeakPolarHBondContact CD2-O 3.35Å; F408-V473 HydrophobicContact CE2-CB 4.36Å; F408-V473 HydrophobicContact CE2-CG1 4.08Å; V459-V473 HydrophobicContact CG1-CG1 4.09Å; V459-V473 HydrophobicContact CG1-CG2 4.5Å; R462-V473 HydrophobicContact CB-CG2 4.29Å; R462-V473 HydrophobicContact CG-CG2 3.83Å; L463-V473 HydrophobicContact CD2-CB 3.82Å; L463-V473 HydrophobicContact CD2-CG2 3.88Å; L463-V473 HydrophobicContact CG-CB 4.41Å; L463-V473 HydrophobicContact CG-CG2 4.14Å; L466-V473 HydrophobicContact CD1-CG2 4.29Å; V473-V476 HydrophobicContact CG1-CG1 4.37Å
474	N	97.7	Very high	97.3	Very high	47 Å²	47	51 Å²	51	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-27.2	-174.7	-68.6	-10.3	0	0	0	112.8	T172 K175 F408 D472	T172-N474 PolarHBondContact O-N 3.17Å; K175-N474 PolarHBondContact O-ND2 3.28Å; F408-N474 WeakPolarHBondContact CB-O 3.21Å; D472-N474 PolarHBondContact O-N 3.45Å
475	L	98.6	Very high	97.3	Very high	37 Å²	37	49.4 Å²	49.4	19%	0.194	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.1	178.2	-54.6	173	0	0	0	110.5	T172 P407 V479	T172-L475 HydrophobicContact CG2-CD1 4.46Å; T172-L475 PolarHBondContact N-O 3.35Å; T172-L475 PolarHBondContact O-N 2.94Å; P407-L475 HydrophobicContact CB-CD2 3.33Å; P407-L475 HydrophobicContact CG-CD2 4.27Å; L475-V479 HydrophobicContact CD2-CG2 4.1Å
476	V	98.6	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-110.4	-14.6	168.2	-66.2	0	0	0	0	112.7	W170 F408 L412 Y455 V459 V473	W170-V476 WeakPolarHBondContact CB-O 3.31Å; F408-V476 HydrophobicContact CD2-CG1 3.89Å; F408-V476 HydrophobicContact CE2-CG1 3.53Å; F408-V476 HydrophobicContact CZ-CG1 4.2Å; L412-V476 HydrophobicContact CD2-CG1 4.43Å; L412-V476 HydrophobicContact CD2-CG2 3.98Å; L412-V476 HydrophobicContact CG-CG2 4.02Å; Y455-V476 HydrophobicContact CE1-CB 4.29Å; Y455-V476 WeakPolarHBondContact OH-CA 3.17Å; Y455-V476 PolarHBondContact OH-O 3.46Å; V459-V476 HydrophobicContact CG1-CG1 3.95Å; V459-V476 HydrophobicContact CG2-CG1 4.44Å; V473-V476 HydrophobicContact CG1-CG1 4.37Å
477	V	98.6	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-140.7	134.6	171.3	-176.3	0	0	0	0	106.4	W170 G411 Y414 L415 V481 I482	W170-V477 HydrophobicContact CD2-CG1 4.38Å; W170-V477 HydrophobicContact CE3-CB 4.1Å; W170-V477 HydrophobicContact CE3-CG1 3.94Å; W170-V477 HydrophobicContact CE3-CG2 3.72Å; W170-V477 HydrophobicContact CH2-CG1 4.18Å; W170-V477 HydrophobicContact CZ3-CB 4.31Å; W170-V477 HydrophobicContact CZ3-CG1 3.85Å; W170-V477 HydrophobicContact CZ3-CG2 3.75Å; G411-V477 WeakPolarHBondContact O-CG2 3.47Å; Y414-V477 HydrophobicContact CD1-CG1 3.95Å; Y414-V477 HydrophobicContact CD1-CG2 4.15Å; Y414-V477 HydrophobicContact CE1-CG1 4.26Å; L415-V477 HydrophobicContact CD1-CG2 4.29Å; L415-V477 HydrophobicContact CD2-CG2 4.12Å; L415-V477 HydrophobicContact CG-CG2 3.88Å; V477-V481 HydrophobicContact CG1-CB 4.01Å; V477-V481 HydrophobicContact CG1-CG1 3.97Å; V477-I482 HydrophobicContact CB-CD1 4.14Å; V477-I482 HydrophobicContact CB-CG1 4.1Å; V477-I482 HydrophobicContact CG1-CD1 4.3Å; V477-I482 HydrophobicContact CG1-CG1 3.71Å
478	P	98.4	Very high	97.4	Very high	24 Å²	24	47.8 Å²	47.8	16%	0.156	27%	0.271	C	S	.	.			trans	-60.4	137.1	175.3	-23.9	34.3	0	0	0	111.7	W170 N480 V481 I482	W170-P478 HydrophobicContact CB-CG 4.41Å; W170-P478 VanDerWaalsContact CG-CD 3.43Å; W170-P478 HydrophobicContact CG-CG 4.07Å; P478-N480 WeakPolarHBondContact CB-OD1 3.31Å; P478-N480 PolarHBondContact O-N 2.77Å; P478-V481 HydrophobicContact CB-CG2 4.03Å; P478-V481 HydrophobicContact CG-CG2 4.17Å; P478-V481 WeakPolarHBondContact O-CB 3.5Å; P478-V481 PolarHBondContact O-N 3.38Å; P478-I482 PolarHBondContact O-N 2.63Å
479	V	98.1	Very high	97.6	Very high	31 Å²	31	42.3 Å²	42.3	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-34.4	-177	177.7	0	0	0	0	112.1	P407 L475 V481 I482 K483	P407-V479 HydrophobicContact CB-CG2 3.98Å; P407-V479 HydrophobicContact CG-CG2 4.24Å; L475-V479 HydrophobicContact CD2-CG2 4.1Å; V479-V481 VanDerWaalsContact C-N 3.31Å; V479-V481 PolarHBondContact O-N 2.77Å; V479-I482 PolarHBondContact O-N 3.27Å; V479-K483 HydrophobicContact CG1-CD 3.96Å; V479-K483 HydrophobicContact CG1-CG 4.15Å; V479-K483 WeakPolarHBondContact O-CB 3.27Å; V479-K483 WeakPolarHBondContact O-CG 3.49Å; V479-K483 PolarHBondContact O-N 2.89Å
480	N	97.6	Very high	97.8	Very high	121 Å²	121	44.8 Å²	44.8	65%	0.647	25%	0.249	S	C	*	.	H	α-helix	trans	-67.5	-28	176.6	62.9	-58.5	0	0	0	113.4	P478 G484	P478-N480 WeakPolarHBondContact CB-OD1 3.31Å; P478-N480 PolarHBondContact O-N 2.77Å; N480-G484 PolarHBondContact O-N 3.16Å
481	V	97.6	Very high	97.9	Very high	34 Å²	34	39.9 Å²	39.9	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-48.1	173	174.2	0	0	0	0	109.1	W170 Y414 V477 P478 V479 K483 G484 D485	W170-V481 HydrophobicContact CH2-CG1 4.24Å; W170-V481 HydrophobicContact CZ2-CG1 3.98Å; Y414-V481 HydrophobicContact CE1-CG1 4.13Å; V477-V481 HydrophobicContact CG1-CB 4.01Å; V477-V481 HydrophobicContact CG1-CG1 3.97Å; P478-V481 HydrophobicContact CB-CG2 4.03Å; P478-V481 HydrophobicContact CG-CG2 4.17Å; P478-V481 WeakPolarHBondContact O-CB 3.5Å; P478-V481 PolarHBondContact O-N 3.38Å; V479-V481 VanDerWaalsContact C-N 3.31Å; V479-V481 PolarHBondContact O-N 2.77Å; V481-K483 PolarHBondContact O-N 2.57Å; V481-G484 WeakPolarHBondContact O-CA 3.46Å; V481-G484 PolarHBondContact O-N 3.36Å; V481-D485 PolarHBondContact O-N 2.7Å
482	I	98.1	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-49.7	178.4	-55.8	172.1	0	0	0	110.8	F186 V410 Y414 V477 P478 V479 G484 D485 F488	F186-I482 HydrophobicContact CE1-CG2 3.75Å; F186-I482 HydrophobicContact CZ-CD1 4.18Å; F186-I482 HydrophobicContact CZ-CG2 4.04Å; V410-I482 HydrophobicContact CG1-CD1 4.35Å; V410-I482 HydrophobicContact CG1-CG2 4.04Å; Y414-I482 HydrophobicContact CG-CG1 4.43Å; V477-I482 HydrophobicContact CB-CD1 4.14Å; V477-I482 HydrophobicContact CB-CG1 4.1Å; V477-I482 HydrophobicContact CG1-CD1 4.3Å; V477-I482 HydrophobicContact CG1-CG1 3.71Å; P478-I482 PolarHBondContact O-N 2.63Å; V479-I482 PolarHBondContact O-N 3.27Å; I482-G484 PolarHBondContact O-N 3.12Å; I482-D485 PolarHBondContact O-N 3.27Å; I482-F488 HydrophobicContact CG2-CD1 3.85Å; I482-F488 HydrophobicContact CG2-CE1 3.75Å
483	K	97.8	Very high	97.9	Very high	69 Å²	69	38.9 Å²	38.9	30%	0.3	22%	0.215	S	C	.	.	H	α-helix	trans	-68.5	-18	177.1	-68.3	-172.5	179.6	-176.3	0	113	E185 V479 V481 D485 Q486 Y489	E185-K483 WeakPolarHBondContact OE2-CE 3.18Å; E185-K483 IonicContact OE2-NZ 2.63Å; E185-K483 PolarHBondContact OE2-NZ 3.26Å; V479-K483 HydrophobicContact CG1-CD 3.96Å; V479-K483 HydrophobicContact CG1-CG 4.15Å; V479-K483 WeakPolarHBondContact O-CB 3.27Å; V479-K483 WeakPolarHBondContact O-CG 3.49Å; V479-K483 PolarHBondContact O-N 2.89Å; V481-K483 PolarHBondContact O-N 2.57Å; K483-D485 VanDerWaalsContact C-N 3.31Å; K483-Q486 PolarHBondContact O-NE2 2.92Å; K483-Y489 HydrophobicContact CD-CE2 4.28Å; K483-Y489 HydrophobicContact CG-CD2 3.81Å; K483-Y489 HydrophobicContact CG-CE2 3.81Å; K483-Y489 HydrophobicContact CG-CG 4.47Å
484	G	97.1	Very high	97.9	Very high	61 Å²	61	44 Å²	44	63%	0.629	24%	0.239	S	C	*	.	H	α-helix	trans	-69.3	-30.7	174.6	0	0	0	0	0	112.4	N480 V481 I482 Q486	N480-G484 PolarHBondContact O-N 3.16Å; V481-G484 WeakPolarHBondContact O-CA 3.46Å; V481-G484 PolarHBondContact O-N 3.36Å; I482-G484 PolarHBondContact O-N 3.12Å; G484-Q486 PolarHBondContact O-N 3.27Å
485	D	97.4	Very high	98	Very high	16 Å²	16	42.6 Å²	42.6	9%	0.086	23%	0.233	C	C	.	.			trans	-88.7	93.9	169.3	-171	-28.7	0	0	0	109.3	Y414 Y417 V481 I482 K483 D487 F488 Y489	Y414-D485 HydrophobicContact CE2-CB 4.09Å; Y417-D485 WeakPolarHBondContact CE1-OD2 3.2Å; Y417-D485 PolarHBondContact OH-OD2 3.02Å; V481-D485 PolarHBondContact O-N 2.7Å; I482-D485 PolarHBondContact O-N 3.27Å; K483-D485 VanDerWaalsContact C-N 3.31Å; D485-D487 VanDerWaalsContact C-N 3.33Å; D485-D487 PolarHBondContact O-N 2.97Å; D485-D487 PolarHBondContact OD1-N 2.9Å; D485-F488 HydrophobicContact CB-CB 4.14Å; D485-F488 PolarHBondContact O-N 3.17Å; D485-F488 PolarHBondContact OD1-N 3.27Å; D485-Y489 VanDerWaalsContact O-CB 3.27Å; D485-Y489 WeakPolarHBondContact O-CB 3.43Å; D485-Y489 PolarHBondContact O-N 3.15Å
486	Q	96.6	Very high	98	Very high	106 Å²	106	40.9 Å²	40.9	50%	0.495	22%	0.224	S	C	.	.	H	α-helix	trans	-64.5	-36.5	-177.6	-70	-69.3	-68.7	0	0	112.4	K483 G484 Y489 D490	K483-Q486 PolarHBondContact O-NE2 2.92Å; G484-Q486 PolarHBondContact O-N 3.27Å; Q486-Y489 PolarHBondContact O-N 2.85Å; Q486-D490 VanDerWaalsContact O-CB 3.32Å; Q486-D490 WeakPolarHBondContact O-CB 3.35Å; Q486-D490 VanDerWaalsContact O-CG 3.27Å; Q486-D490 PolarHBondContact O-N 2.85Å
487	D	96.3	Very high	98	Very high	82 Å²	82	42.9 Å²	42.9	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-64.7	-44.6	-179.3	-70.9	-26.7	0	0	0	110.7	L155 D485 Y491	L155-D487 HydrophobicContact CB-CB 4.3Å; L155-D487 HydrophobicContact CD1-CB 3.92Å; D485-D487 VanDerWaalsContact C-N 3.33Å; D485-D487 PolarHBondContact O-N 2.97Å; D485-D487 PolarHBondContact OD1-N 2.9Å; D487-Y491 WeakPolarHBondContact O-CB 3.01Å; D487-Y491 PolarHBondContact O-N 3.04Å
488	F	98.3	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-43.8	174.5	179.5	-91.8	0	0	0	112.1	V410 V413 Y414 Y417 I423 I482 D485 Y491 I492	V410-F488 HydrophobicContact CG1-CE1 3.87Å; V410-F488 HydrophobicContact CG1-CZ 4.34Å; V413-F488 HydrophobicContact CB-CZ 4.34Å; V413-F488 HydrophobicContact CG1-CE2 4.12Å; V413-F488 HydrophobicContact CG1-CZ 4.05Å; Y414-F488 AromaticContact CD2-CD1 3.61Å; Y414-F488 HydrophobicContact CD2-CD1 3.61Å; Y414-F488 HydrophobicContact CD2-CD2 4.25Å; Y414-F488 AromaticContact CD2-CE1 3.71Å; Y414-F488 HydrophobicContact CD2-CE1 3.71Å; Y414-F488 HydrophobicContact CD2-CE2 4.34Å; Y414-F488 AromaticContact CD2-CG 3.88Å; Y414-F488 HydrophobicContact CD2-CG 3.88Å; Y414-F488 HydrophobicContact CD2-CZ 4.09Å; Y414-F488 HydrophobicContact CE2-CD1 4.33Å; Y414-F488 HydrophobicContact CE2-CG 4.41Å; Y414-F488 HydrophobicContact CG-CE1 4.29Å; Y414-F488 HydrophobicContact CG-CZ 4.44Å; Y417-F488 AromaticContact CD1-CD2 3.76Å; Y417-F488 HydrophobicContact CD1-CD2 3.76Å; Y417-F488 HydrophobicContact CD1-CE2 4.3Å; Y417-F488 HydrophobicContact CD1-CG 4.31Å; Y417-F488 AromaticContact CD2-CD2 3.97Å; Y417-F488 HydrophobicContact CD2-CD2 3.97Å; Y417-F488 HydrophobicContact CE1-CB 4.1Å; Y417-F488 HydrophobicContact CE1-CD2 4.13Å; Y417-F488 HydrophobicContact CE1-CG 4.36Å; Y417-F488 HydrophobicContact CE2-CD2 4.32Å; Y417-F488 AromaticContact CG-CD2 3.64Å; Y417-F488 HydrophobicContact CG-CD2 3.64Å; Y417-F488 HydrophobicContact CG-CE2 4Å; I423-F488 HydrophobicContact CD1-CE2 4.12Å; I482-F488 HydrophobicContact CG2-CD1 3.85Å; I482-F488 HydrophobicContact CG2-CE1 3.75Å; D485-F488 HydrophobicContact CB-CB 4.14Å; D485-F488 PolarHBondContact O-N 3.17Å; D485-F488 PolarHBondContact OD1-N 3.27Å; F488-Y491 PolarHBondContact O-N 3.15Å; F488-I492 HydrophobicContact CD1-CG1 4.01Å; F488-I492 HydrophobicContact CD2-CG1 4.47Å; F488-I492 HydrophobicContact CE1-CD1 4.28Å; F488-I492 HydrophobicContact CE1-CG1 3.5Å; F488-I492 HydrophobicContact CE2-CD1 4.13Å; F488-I492 HydrophobicContact CE2-CG1 4.02Å; F488-I492 HydrophobicContact CG-CG1 4.47Å; F488-I492 HydrophobicContact CZ-CD1 3.78Å; F488-I492 HydrophobicContact CZ-CG1 3.51Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.47Å
489	Y	98.3	Very high	97.9	Very high	52 Å²	52	46.6 Å²	46.6	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-50.8	-179.2	177.8	-106.9	0	0	0	111.8	E185 F186 K483 D485 Q486 Y491 I492 V493	E185-Y489 PolarHBondContact O-OH 3.28Å; F186-Y489 AromaticContact CD1-CD2 3.85Å; F186-Y489 HydrophobicContact CD1-CD2 3.85Å; F186-Y489 AromaticContact CD1-CE2 3.66Å; F186-Y489 HydrophobicContact CD1-CE2 3.66Å; F186-Y489 AromaticContact CE1-CD2 3.77Å; F186-Y489 HydrophobicContact CE1-CD2 3.77Å; F186-Y489 AromaticContact CE1-CE2 3.8Å; F186-Y489 HydrophobicContact CE1-CE2 3.8Å; K483-Y489 HydrophobicContact CD-CE2 4.28Å; K483-Y489 HydrophobicContact CG-CD2 3.81Å; K483-Y489 HydrophobicContact CG-CE2 3.81Å; K483-Y489 HydrophobicContact CG-CG 4.47Å; D485-Y489 VanDerWaalsContact O-CB 3.27Å; D485-Y489 WeakPolarHBondContact O-CB 3.43Å; D485-Y489 PolarHBondContact O-N 3.15Å; Q486-Y489 PolarHBondContact O-N 2.85Å; Y489-Y491 VanDerWaalsContact C-N 3.3Å; Y489-Y491 PolarHBondContact O-N 3.26Å; Y489-I492 PolarHBondContact O-N 2.82Å; Y489-V493 HydrophobicContact CD1-CG2 4.42Å; Y489-V493 HydrophobicContact CD2-CG2 4.24Å; Y489-V493 HydrophobicContact CE1-CG2 4.01Å; Y489-V493 HydrophobicContact CE2-CG2 3.78Å; Y489-V493 WeakPolarHBondContact O-CG2 3.12Å; Y489-V493 PolarHBondContact O-N 3.05Å
490	D	98.2	Very high	97.8	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-40.5	-179.9	-72.4	-13.1	0	0	0	111	Q486 H494	Q486-D490 VanDerWaalsContact O-CB 3.32Å; Q486-D490 WeakPolarHBondContact O-CB 3.35Å; Q486-D490 VanDerWaalsContact O-CG 3.27Å; Q486-D490 PolarHBondContact O-N 2.85Å; D490-H494 WeakPolarHBondContact O-CB 3.45Å; D490-H494 PolarHBondContact O-N 2.91Å
491	Y	98.6	Very high	97.8	Very high	18 Å²	18	44.3 Å²	44.3	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-48.2	175.3	178.6	-95.5	0	0	0	112.4	D152 C154 C424 I425 D487 F488 Y489 H494 S495	D152-Y491 HydrophobicContact CB-CE2 4.43Å; D152-Y491 WeakPolarHBondContact O-CE2 3.07Å; D152-Y491 PolarHBondContact O-OH 3.38Å; C154-Y491 HydrophobicContact CB-CD1 3.8Å; C154-Y491 HydrophobicContact CB-CD2 4.07Å; C154-Y491 HydrophobicContact CB-CE1 3.96Å; C154-Y491 HydrophobicContact CB-CE2 4.22Å; C154-Y491 HydrophobicContact CB-CG 3.86Å; C424-Y491 WeakPolarHBondContact CA-OH 3.12Å; C424-Y491 WeakPolarHBondContact CB-OH 3.45Å; I425-Y491 HydrophobicContact CD1-CE1 4.19Å; I425-Y491 HydrophobicContact CG1-CE1 4.27Å; I425-Y491 PolarHBondContact N-OH 3.21Å; D487-Y491 WeakPolarHBondContact O-CB 3.01Å; D487-Y491 PolarHBondContact O-N 3.04Å; F488-Y491 PolarHBondContact O-N 3.15Å; Y489-Y491 VanDerWaalsContact C-N 3.3Å; Y489-Y491 PolarHBondContact O-N 3.26Å; Y491-H494 PolarHBondContact O-N 3.29Å; Y491-S495 VanDerWaalsContact O-CB 3.24Å; Y491-S495 WeakPolarHBondContact O-CB 2.87Å; Y491-S495 PolarHBondContact O-N 3.3Å
492	I	98.5	Very high	97.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-45.5	-179.5	-69	-62	0	0	0	111.3	F186 V410 V413 I425 F488 Y489 S495 N496	F186-I492 HydrophobicContact CB-CG2 4.02Å; F186-I492 HydrophobicContact CD1-CG2 4.14Å; F186-I492 HydrophobicContact CG-CG2 4.26Å; V410-I492 HydrophobicContact CG1-CG1 4.26Å; V410-I492 HydrophobicContact CG1-CG2 3.95Å; V410-I492 HydrophobicContact CG2-CG2 3.89Å; V413-I492 HydrophobicContact CG1-CD1 4.07Å; I425-I492 HydrophobicContact CD1-CD1 3.49Å; I425-I492 VanDerWaalsContact CD1-CD1 3.49Å; F488-I492 HydrophobicContact CD1-CG1 4.01Å; F488-I492 HydrophobicContact CD2-CG1 4.47Å; F488-I492 HydrophobicContact CE1-CD1 4.28Å; F488-I492 HydrophobicContact CE1-CG1 3.5Å; F488-I492 HydrophobicContact CE2-CD1 4.13Å; F488-I492 HydrophobicContact CE2-CG1 4.02Å; F488-I492 HydrophobicContact CG-CG1 4.47Å; F488-I492 HydrophobicContact CZ-CD1 3.78Å; F488-I492 HydrophobicContact CZ-CG1 3.51Å; F488-I492 WeakPolarHBondContact O-CG1 3.49Å; F488-I492 PolarHBondContact O-N 3.47Å; Y489-I492 PolarHBondContact O-N 2.82Å; I492-S495 PolarHBondContact O-N 3.37Å; I492-N496 WeakPolarHBondContact O-CB 3.5Å; I492-N496 PolarHBondContact O-N 2.99Å
493	V	98.6	Very high	97.6	Very high	27 Å²	27	46.2 Å²	46.2	16%	0.164	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-49.9	177.4	173.4	0	0	0	0	109.7	Y489 S495 N496 E497	Y489-V493 HydrophobicContact CD1-CG2 4.42Å; Y489-V493 HydrophobicContact CD2-CG2 4.24Å; Y489-V493 HydrophobicContact CE1-CG2 4.01Å; Y489-V493 HydrophobicContact CE2-CG2 3.78Å; Y489-V493 WeakPolarHBondContact O-CG2 3.12Å; Y489-V493 PolarHBondContact O-N 3.05Å; V493-S495 PolarHBondContact O-N 3.41Å; V493-N496 PolarHBondContact O-N 2.7Å; V493-E497 HydrophobicContact CG1-CG 4.29Å; V493-E497 WeakPolarHBondContact O-CB 3.4Å; V493-E497 WeakPolarHBondContact O-CG 3.28Å; V493-E497 PolarHBondContact O-N 3.5Å
494	H	98.4	Very high	97.4	Very high	107 Å²	107	43.5 Å²	43.5	50%	0.495	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-45.6	178.8	-173.5	74.6	0	0	0	112.3	D490 Y491 N496 E497 N498	D490-H494 WeakPolarHBondContact O-CB 3.45Å; D490-H494 PolarHBondContact O-N 2.91Å; Y491-H494 PolarHBondContact O-N 3.29Å; H494-N496 PolarHBondContact O-N 3.48Å; H494-E497 PolarHBondContact O-N 3.43Å; H494-N498 VanDerWaalsContact O-CB 3.23Å; H494-N498 WeakPolarHBondContact O-CB 3.4Å; H494-N498 PolarHBondContact O-N 2.92Å
495	S	98.5	Very high	97.3	Very high	19 Å²	19	43.3 Å²	43.3	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-45.9	178	-173.6	0	0	0	0	112	Y491 I492 V493 H499	Y491-S495 VanDerWaalsContact O-CB 3.24Å; Y491-S495 WeakPolarHBondContact O-CB 2.87Å; Y491-S495 PolarHBondContact O-N 3.3Å; I492-S495 PolarHBondContact O-N 3.37Å; V493-S495 PolarHBondContact O-N 3.41Å; S495-H499 WeakPolarHBondContact O-CB 3.3Å; S495-H499 PolarHBondContact O-N 2.95Å; S495-H499 VanDerWaalsContact O-N 3.08Å
496	N	98.6	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-49.9	178.3	-81.5	-18.4	0	0	0	112.2	F186 C187 L404 F405 R438 I492 V493 H494 N498 H499 C500	F186-N496 WeakPolarHBondContact O-CB 3.35Å; F186-N496 PolarHBondContact O-ND2 3.34Å; F186-N496 VanDerWaalsContact O-ND2 3.07Å; C187-N496 HydrophobicContact CB-CB 4.44Å; L404-N496 PolarHBondContact O-ND2 3.45Å; F405-N496 HydrophobicContact CE1-CB 4.3Å; R438-N496 PolarHBondContact NH1-OD1 3.18Å; I492-N496 WeakPolarHBondContact O-CB 3.5Å; I492-N496 PolarHBondContact O-N 2.99Å; V493-N496 PolarHBondContact O-N 2.7Å; H494-N496 PolarHBondContact O-N 3.48Å; N496-N498 PolarHBondContact O-N 3.16Å; N496-H499 PolarHBondContact O-N 3.39Å; N496-C500 PolarHBondContact O-N 3.35Å; N496-C500 PolarHBondContact O-SG 3.1Å
497	E	98.3	Very high	97.1	Very high	43 Å²	43	38.1 Å²	38.1	20%	0.201	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-178.4	-68.7	-160.8	148.7	0	0	112.6	S188 L191 V493 H494 C500 K501	S188-E497 WeakPolarHBondContact CB-OE1 3.35Å; S188-E497 PolarHBondContact N-OE1 2.91Å; S188-E497 PolarHBondContact OG-OE1 2.87Å; L191-E497 HydrophobicContact CD1-CB 3.66Å; L191-E497 HydrophobicContact CD1-CG 3.73Å; V493-E497 HydrophobicContact CG1-CG 4.29Å; V493-E497 WeakPolarHBondContact O-CB 3.4Å; V493-E497 WeakPolarHBondContact O-CG 3.28Å; V493-E497 PolarHBondContact O-N 3.5Å; H494-E497 PolarHBondContact O-N 3.43Å; E497-C500 PolarHBondContact O-N 2.88Å; E497-K501 VanDerWaalsContact O-CG 3.29Å; E497-K501 WeakPolarHBondContact O-CG 3.22Å; E497-K501 PolarHBondContact O-N 3.42Å
498	N	97.1	Very high	96.9	Very high	85 Å²	85	34.6 Å²	34.6	46%	0.455	17%	0.173	S	C	.	.	H	α-helix	trans	-62.9	-43.9	176.2	-172.5	41	0	0	0	111	H494 N496 C500 K501 V502	H494-N498 VanDerWaalsContact O-CB 3.23Å; H494-N498 WeakPolarHBondContact O-CB 3.4Å; H494-N498 PolarHBondContact O-N 2.92Å; N496-N498 PolarHBondContact O-N 3.16Å; N498-C500 PolarHBondContact O-N 2.64Å; N498-K501 PolarHBondContact O-N 2.94Å; N498-V502 WeakPolarHBondContact O-CG2 3.37Å; N498-V502 PolarHBondContact O-N 3.41Å; N498-V502 VanDerWaalsContact O-N 3.08Å
499	H	97.4	Very high	96.7	Very high	16 Å²	16	35.1 Å²	35.1	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-44	175.1	-174.7	100	0	0	0	112.2	R438 S495 N496 K501 V502 Q503	R438-H499 PolarHBondContact NE-ND1 3.26Å; R438-H499 PolarHBondContact NH2-CD2 3.3Å; R438-H499 PolarHBondContact NH2-NE2 2.87Å; S495-H499 WeakPolarHBondContact O-CB 3.3Å; S495-H499 PolarHBondContact O-N 2.95Å; S495-H499 VanDerWaalsContact O-N 3.08Å; N496-H499 PolarHBondContact O-N 3.39Å; H499-K501 VanDerWaalsContact C-N 3.34Å; H499-K501 PolarHBondContact O-N 3Å; H499-V502 PolarHBondContact O-N 3.46Å; H499-Q503 VanDerWaalsContact O-CB 3.23Å; H499-Q503 WeakPolarHBondContact O-CB 3.34Å; H499-Q503 PolarHBondContact O-N 2.79Å
500	C	97.6	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-48.2	175.2	-73.2	0	0	0	0	111.2	L191 F405 N496 E497 N498 V502 Q503 I504	L191-C500 HydrophobicContact CB-CB 4.15Å; F405-C500 VanDerWaalsContact CZ-SG 3.56Å; N496-C500 PolarHBondContact O-N 3.35Å; N496-C500 PolarHBondContact O-SG 3.1Å; E497-C500 PolarHBondContact O-N 2.88Å; N498-C500 PolarHBondContact O-N 2.64Å; C500-V502 PolarHBondContact O-N 3.41Å; C500-Q503 PolarHBondContact O-N 2.86Å; C500-I504 HydrophobicContact CB-CD1 4.46Å; C500-I504 VanDerWaalsContact O-CB 3.29Å; C500-I504 WeakPolarHBondContact O-CB 3.34Å; C500-I504 WeakPolarHBondContact O-CD1 3.38Å; C500-I504 WeakPolarHBondContact O-CG1 3.28Å; C500-I504 PolarHBondContact O-N 2.71Å
501	K	95.9	Very high	96.2	Very high	104 Å²	104	29.4 Å²	29.4	45%	0.452	15%	0.147	S	C	.	.	H	α-helix	trans	-58.5	-47	179.7	-70.4	166	-170.8	168.8	0	111.9	L191 E497 N498 H499 K505	L191-K501 HydrophobicContact CD1-CG 4.36Å; L191-K501 HydrophobicContact CD2-CG 3.96Å; E497-K501 VanDerWaalsContact O-CG 3.29Å; E497-K501 WeakPolarHBondContact O-CG 3.22Å; E497-K501 PolarHBondContact O-N 3.42Å; N498-K501 PolarHBondContact O-N 2.94Å; H499-K501 VanDerWaalsContact C-N 3.34Å; H499-K501 PolarHBondContact O-N 3Å; K501-K505 PolarHBondContact O-N 3.4Å
502	V	95.3	Very high	95.8	Very high	72 Å²	72	29.3 Å²	29.3	44%	0.436	15%	0.15	S	C	.	.	H	α-helix	trans	-65.6	-44.5	177.9	175.1	0	0	0	0	111.2	N498 H499 C500 K505 A506	N498-V502 WeakPolarHBondContact O-CG2 3.37Å; N498-V502 PolarHBondContact O-N 3.41Å; N498-V502 VanDerWaalsContact O-N 3.08Å; H499-V502 PolarHBondContact O-N 3.46Å; C500-V502 PolarHBondContact O-N 3.41Å; V502-K505 PolarHBondContact O-N 3.45Å; V502-A506 WeakPolarHBondContact O-CB 3.43Å; V502-A506 PolarHBondContact O-N 3.36Å
503	Q	96.3	Very high	95.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-179.1	-170.5	178	21.4	0	0	111.9	V195 A434 S436 H499 C500 A506 L507	V195-Q503 HydrophobicContact CG2-CB 4.31Å; V195-Q503 HydrophobicContact CG2-CG 4.08Å; V195-Q503 VanDerWaalsContact CG2-OE1 3.3Å; A434-Q503 WeakPolarHBondContact O-CG 3.47Å; A434-Q503 PolarHBondContact O-NE2 3.25Å; S436-Q503 PolarHBondContact OG-NE2 2.98Å; H499-Q503 VanDerWaalsContact O-CB 3.23Å; H499-Q503 WeakPolarHBondContact O-CB 3.34Å; H499-Q503 PolarHBondContact O-N 2.79Å; C500-Q503 PolarHBondContact O-N 2.86Å; Q503-A506 PolarHBondContact O-N 3.32Å; Q503-L507 HydrophobicContact CG-CD1 3.94Å; Q503-L507 HydrophobicContact CG-CG 4.39Å; Q503-L507 WeakPolarHBondContact O-CB 3.42Å; Q503-L507 VanDerWaalsContact O-CG 3.27Å; Q503-L507 WeakPolarHBondContact O-CG 3.24Å; Q503-L507 PolarHBondContact O-N 2.93Å
504	I	95.3	Very high	95.3	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.062	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-48.7	175.7	-72.8	163.8	0	0	0	110.3	I137 L191 N194 V195 C500 A506 L507 A508	I137-I504 HydrophobicContact CD1-CG2 3.48Å; I137-I504 VanDerWaalsContact CD1-CG2 3.48Å; I137-I504 HydrophobicContact CG1-CG2 4.16Å; I137-I504 HydrophobicContact CG2-CG2 4.14Å; L191-I504 HydrophobicContact CD2-CD1 4.25Å; N194-I504 HydrophobicContact CB-CD1 3.71Å; N194-I504 HydrophobicContact CB-CG1 4.47Å; V195-I504 HydrophobicContact CB-CD1 4.07Å; V195-I504 HydrophobicContact CB-CG1 3.77Å; V195-I504 HydrophobicContact CG2-CG1 4.11Å; C500-I504 HydrophobicContact CB-CD1 4.46Å; C500-I504 VanDerWaalsContact O-CB 3.29Å; C500-I504 WeakPolarHBondContact O-CB 3.34Å; C500-I504 WeakPolarHBondContact O-CD1 3.38Å; C500-I504 WeakPolarHBondContact O-CG1 3.28Å; C500-I504 PolarHBondContact O-N 2.71Å; I504-A506 PolarHBondContact O-N 2.92Å; I504-L507 PolarHBondContact O-N 2.96Å; I504-A508 WeakPolarHBondContact O-CB 3.36Å; I504-A508 PolarHBondContact O-N 3.21Å
505	K	95	Very high	94.9	Very high	57 Å²	57	28.2 Å²	28.2	25%	0.248	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-45	175.6	-75.4	-174.6	170.9	-173.8	0	111.5	I137 D141 K501 V502 L507 A508 K509	I137-K505 HydrophobicContact CG2-CG 4.45Å; D141-K505 PolarHBondContact O-NZ 3.08Å; D141-K505 IonicContact OD2-NZ 2.85Å; K501-K505 PolarHBondContact O-N 3.4Å; V502-K505 PolarHBondContact O-N 3.45Å; K505-L507 PolarHBondContact O-N 3.37Å; K505-A508 PolarHBondContact O-N 3.17Å; K505-K509 WeakPolarHBondContact O-CB 3.39Å; K505-K509 PolarHBondContact O-N 3.46Å
506	A	95.3	Very high	94.5	Very high	6 Å²	6	30.3 Å²	30.3	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-39	179.1	0	0	0	0	0	113.2	P433 A434 V502 Q503 I504 K509 I510	P433-A506 HydrophobicContact CB-CB 3.83Å; P433-A506 HydrophobicContact CG-CB 4.31Å; A434-A506 HydrophobicContact CB-CB 4.03Å; V502-A506 WeakPolarHBondContact O-CB 3.43Å; V502-A506 PolarHBondContact O-N 3.36Å; Q503-A506 PolarHBondContact O-N 3.32Å; I504-A506 PolarHBondContact O-N 2.92Å; A506-K509 PolarHBondContact O-N 2.78Å; A506-I510 WeakPolarHBondContact O-CG1 3.38Å; A506-I510 PolarHBondContact O-N 2.97Å
507	L	93.8	Very high	94.3	Very high	7 Å²	7	35 Å²	35	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-44.9	173.9	-72.6	165.2	0	0	0	110.8	V195 C198 K199 F202 A434 Q503 I504 K505 K509 I510 R511	V195-L507 HydrophobicContact CG2-CD1 4.35Å; C198-L507 HydrophobicContact CB-CB 3.93Å; C198-L507 HydrophobicContact CB-CD1 3.67Å; C198-L507 HydrophobicContact CB-CG 4.42Å; K199-L507 HydrophobicContact CG-CD1 3.87Å; F202-L507 HydrophobicContact CD2-CD2 4.04Å; F202-L507 HydrophobicContact CE2-CB 4.14Å; F202-L507 HydrophobicContact CE2-CD2 3.58Å; F202-L507 HydrophobicContact CE2-CG 4.46Å; F202-L507 WeakPolarHBondContact CZ-O 3.45Å; A434-L507 HydrophobicContact CB-CD2 3.95Å; A434-L507 HydrophobicContact CB-CG 4.18Å; Q503-L507 HydrophobicContact CG-CD1 3.94Å; Q503-L507 HydrophobicContact CG-CG 4.39Å; Q503-L507 WeakPolarHBondContact O-CB 3.42Å; Q503-L507 VanDerWaalsContact O-CG 3.27Å; Q503-L507 WeakPolarHBondContact O-CG 3.24Å; Q503-L507 PolarHBondContact O-N 2.93Å; I504-L507 PolarHBondContact O-N 2.96Å; K505-L507 PolarHBondContact O-N 3.37Å; L507-K509 VanDerWaalsContact C-N 3.32Å; L507-K509 PolarHBondContact O-N 2.73Å; L507-I510 PolarHBondContact O-N 2.9Å; L507-R511 PolarHBondContact O-N 2.68Å
508	A	92.5	Very high	94.1	Very high	8 Å²	8	38 Å²	38	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-39.9	174.5	0	0	0	0	0	112.2	I137 W139 I504 K505 R511 A512	I137-A508 HydrophobicContact CB-CB 4.04Å; I137-A508 HydrophobicContact CD1-CB 4.3Å; I137-A508 HydrophobicContact CG2-CB 3.86Å; W139-A508 HydrophobicContact CB-CB 4.33Å; I504-A508 WeakPolarHBondContact O-CB 3.36Å; I504-A508 PolarHBondContact O-N 3.21Å; K505-A508 PolarHBondContact O-N 3.17Å; A508-R511 VanDerWaalsContact O-CB 3.32Å; A508-R511 WeakPolarHBondContact O-CB 3.37Å; A508-R511 PolarHBondContact O-N 3.49Å; A508-A512 PolarHBondContact O-N 3.09Å
509	K	94.5	Very high	93.9	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-46.5	173.6	-171.6	-178.2	-163.2	154	0	112	W139 E142 S217 K505 A506 L507 R511 A512 F513 E521	W139-K509 HydrophobicContact CB-CB 4.22Å; W139-K509 HydrophobicContact CD2-CB 4.1Å; W139-K509 HydrophobicContact CD2-CG 4.07Å; W139-K509 HydrophobicContact CE3-CB 4.15Å; W139-K509 HydrophobicContact CE3-CD 4.14Å; W139-K509 HydrophobicContact CE3-CG 3.71Å; W139-K509 HydrophobicContact CG-CB 4.13Å; W139-K509 HydrophobicContact CZ3-CD 4.49Å; W139-K509 HydrophobicContact CZ3-CG 4.11Å; E142-K509 VanDerWaalsContact OE1-CD 3.25Å; E142-K509 WeakPolarHBondContact OE1-CD 3.27Å; E142-K509 VanDerWaalsContact OE1-CE 3.3Å; E142-K509 WeakPolarHBondContact OE1-CE 3.33Å; E142-K509 IonicContact OE1-NZ 3.42Å; E142-K509 PolarHBondContact OE1-NZ 3.43Å; E142-K509 IonicContact OE2-NZ 3.1Å; S217-K509 WeakPolarHBondContact O-CE 3.28Å; K505-K509 WeakPolarHBondContact O-CB 3.39Å; K505-K509 PolarHBondContact O-N 3.46Å; A506-K509 PolarHBondContact O-N 2.78Å; L507-K509 VanDerWaalsContact C-N 3.32Å; L507-K509 PolarHBondContact O-N 2.73Å; K509-R511 VanDerWaalsContact C-N 3.29Å; K509-R511 PolarHBondContact O-N 3.33Å; K509-A512 PolarHBondContact O-N 2.93Å; K509-F513 HydrophobicContact CD-CE2 4.49Å; K509-F513 HydrophobicContact CG-CD2 4.04Å; K509-F513 HydrophobicContact CG-CE2 3.76Å; K509-F513 WeakPolarHBondContact O-CD2 3.29Å; K509-F513 PolarHBondContact O-N 2.89Å; K509-E521 WeakPolarHBondContact CE-OE1 3.49Å; K509-E521 IonicContact NZ-OE1 3.16Å; K509-E521 PolarHBondContact NZ-OE1 2.56Å
510	I	93.8	Very high	93.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-44.5	175.2	-67.8	171.7	0	0	0	110.1	F202 M210 A213 R214 A434 A506 L507 A512 F513 V514	F202-I510 HydrophobicContact CE1-CB 4.37Å; F202-I510 HydrophobicContact CE1-CG2 3.71Å; F202-I510 HydrophobicContact CZ-CB 4.09Å; F202-I510 HydrophobicContact CZ-CG2 3.93Å; M210-I510 HydrophobicContact CG-CG2 4.44Å; A213-I510 HydrophobicContact CB-CG2 4.17Å; R214-I510 HydrophobicContact CB-CD1 4.12Å; R214-I510 HydrophobicContact CB-CG1 4.47Å; R214-I510 HydrophobicContact CG-CD1 3.94Å; A434-I510 HydrophobicContact CB-CD1 3.38Å; A506-I510 WeakPolarHBondContact O-CG1 3.38Å; A506-I510 PolarHBondContact O-N 2.97Å; L507-I510 PolarHBondContact O-N 2.9Å; I510-A512 VanDerWaalsContact C-N 3.32Å; I510-A512 PolarHBondContact O-N 3.37Å; I510-F513 CarbonylContact O-C 3.24Å; I510-F513 PolarHBondContact O-N 3.33Å; I510-F513 VanDerWaalsContact O-N 3.11Å; I510-V514 HydrophobicContact CG2-CG2 4.33Å; I510-V514 WeakPolarHBondContact O-CG2 3.33Å; I510-V514 PolarHBondContact O-N 3.41Å
511	R	90.6	Very high	93.6	Very high	19 Å²	19	42.8 Å²	42.8	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-47.6	176.7	-168.7	-168.8	170.9	-173.5	-7.7	111.4	F131 G133 L135 V201 F202 L507 A508 K509 F513 V514 Q515	F131-R511 HydrophobicContact CD1-CG 3.81Å; F131-R511 HydrophobicContact CE1-CB 4.36Å; F131-R511 HydrophobicContact CE1-CG 3.27Å; F131-R511 HydrophobicContact CZ-CG 3.97Å; F131-R511 PolarHBondContact O-NH2 3.14Å; G133-R511 PolarHBondContact O-NH1 2.79Å; G133-R511 PolarHBondContact O-NH2 3.22Å; L135-R511 VanDerWaalsContact CG-NH1 3.29Å; V201-R511 HydrophobicContact CG1-CG 4.41Å; F202-R511 HydrophobicContact CZ-CB 4.18Å; L507-R511 PolarHBondContact O-N 2.68Å; A508-R511 VanDerWaalsContact O-CB 3.32Å; A508-R511 WeakPolarHBondContact O-CB 3.37Å; A508-R511 PolarHBondContact O-N 3.49Å; K509-R511 VanDerWaalsContact C-N 3.29Å; K509-R511 PolarHBondContact O-N 3.33Å; R511-F513 VanDerWaalsContact C-N 3.34Å; R511-F513 PolarHBondContact O-N 3.43Å; R511-V514 WeakPolarHBondContact O-CB 3.41Å; R511-V514 PolarHBondContact O-N 3.11Å; R511-V514 VanDerWaalsContact O-N 3.17Å; R511-Q515 PolarHBondContact O-N 3.46Å; R511-Q515 VanDerWaalsContact O-N 3.07Å
512	A	91.6	Very high	93.6	Very high	15 Å²	15	42.8 Å²	42.8	12%	0.124	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-41.4	176.8	0	0	0	0	0	112.1	W139 A508 K509 I510 V514 Q515 D516 L519	W139-A512 HydrophobicContact CZ2-CB 3.99Å; A508-A512 PolarHBondContact O-N 3.09Å; K509-A512 PolarHBondContact O-N 2.93Å; I510-A512 VanDerWaalsContact C-N 3.32Å; I510-A512 PolarHBondContact O-N 3.37Å; A512-V514 VanDerWaalsContact C-N 3.31Å; A512-V514 PolarHBondContact O-N 3.21Å; A512-Q515 PolarHBondContact O-N 3.45Å; A512-D516 PolarHBondContact O-N 2.99Å; A512-L519 HydrophobicContact CB-CD1 4.29Å
513	F	93.9	Very high	93.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-71.4	-22.8	177.2	-81.2	-121.4	0	0	0	113.4	W139 A213 R216 S217 K509 I510 R511 D516 L519	W139-F513 HydrophobicContact CH2-CE2 4.17Å; W139-F513 HydrophobicContact CZ3-CE2 4.44Å; A213-F513 HydrophobicContact CB-CB 3.98Å; R216-F513 HydrophobicContact CB-CD1 3.79Å; R216-F513 HydrophobicContact CB-CE1 4.06Å; R216-F513 PolarHBondContact NH2-O 3.26Å; R216-F513 VanDerWaalsContact O-CE1 3.31Å; R216-F513 WeakPolarHBondContact O-CE1 3.46Å; S217-F513 VanDerWaalsContact CA-CE1 3.49Å; K509-F513 HydrophobicContact CD-CE2 4.49Å; K509-F513 HydrophobicContact CG-CD2 4.04Å; K509-F513 HydrophobicContact CG-CE2 3.76Å; K509-F513 WeakPolarHBondContact O-CD2 3.29Å; K509-F513 PolarHBondContact O-N 2.89Å; I510-F513 CarbonylContact O-C 3.24Å; I510-F513 PolarHBondContact O-N 3.33Å; I510-F513 VanDerWaalsContact O-N 3.11Å; R511-F513 VanDerWaalsContact C-N 3.34Å; R511-F513 PolarHBondContact O-N 3.43Å; F513-D516 CarbonylContact C-O 3.54Å; F513-D516 CarbonylContact O-C 3.49Å; F513-D516 VanDerWaalsContact O-O 3.05Å; F513-L519 HydrophobicContact CD1-CB 3.81Å; F513-L519 HydrophobicContact CD2-CB 3.92Å; F513-L519 HydrophobicContact CD2-CD1 3.76Å; F513-L519 HydrophobicContact CE1-CB 3.72Å; F513-L519 WeakPolarHBondContact CE1-O 3.49Å; F513-L519 HydrophobicContact CE2-CB 3.86Å; F513-L519 HydrophobicContact CE2-CD1 4Å; F513-L519 HydrophobicContact CG-CB 3.93Å; F513-L519 HydrophobicContact CG-CD1 4.33Å; F513-L519 HydrophobicContact CZ-CB 3.77Å
514	V	91.3	Very high	93.6	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-73.6	-38	170.2	170	0	0	0	0	110.9	R122 L128 F131 L205 E209 A213 I510 R511 A512	R122-V514 PolarHBondContact NH2-O 2.88Å; L128-V514 HydrophobicContact CD1-CG1 4.41Å; F131-V514 HydrophobicContact CE1-CB 4.39Å; F131-V514 HydrophobicContact CE1-CG1 4.12Å; F131-V514 HydrophobicContact CZ-CG1 4.24Å; L205-V514 HydrophobicContact CD1-CG1 3.73Å; L205-V514 HydrophobicContact CD2-CG1 3.91Å; L205-V514 HydrophobicContact CD2-CG2 3.74Å; L205-V514 HydrophobicContact CG-CG1 4.48Å; E209-V514 HydrophobicContact CG-CG1 4.4Å; A213-V514 HydrophobicContact CB-CB 4.32Å; A213-V514 HydrophobicContact CB-CG2 3.35Å; I510-V514 HydrophobicContact CG2-CG2 4.33Å; I510-V514 WeakPolarHBondContact O-CG2 3.33Å; I510-V514 PolarHBondContact O-N 3.41Å; R511-V514 WeakPolarHBondContact O-CB 3.41Å; R511-V514 PolarHBondContact O-N 3.11Å; R511-V514 VanDerWaalsContact O-N 3.17Å; A512-V514 VanDerWaalsContact C-N 3.31Å; A512-V514 PolarHBondContact O-N 3.21Å
515	Q	89.4	Confident	93.7	Very high	105 Å²	105	46 Å²	46	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-75	-41.6	178.6	-70.2	177.2	-47.5	0	0	111.7	F131 R511 A512	F131-Q515 HydrophobicContact CD1-CG 3.88Å; F131-Q515 HydrophobicContact CE1-CG 4.2Å; R511-Q515 PolarHBondContact O-N 3.46Å; R511-Q515 VanDerWaalsContact O-N 3.07Å; A512-Q515 PolarHBondContact O-N 3.45Å
516	D	91.6	Very high	93.8	Very high	64 Å²	64	47.6 Å²	47.6	34%	0.342	26%	0.263	S	S	.	.			trans	-114.7	106.1	177.8	-171.6	-9.2	0	0	0	111.6	A512 F513 T518 L519	A512-D516 PolarHBondContact O-N 2.99Å; F513-D516 CarbonylContact C-O 3.54Å; F513-D516 CarbonylContact O-C 3.49Å; F513-D516 VanDerWaalsContact O-O 3.05Å; D516-T518 VanDerWaalsContact CG-OG1 3.29Å; D516-T518 PolarHBondContact O-N 3.45Å; D516-T518 WeakPolarHBondContact OD1-CA 3.24Å; D516-T518 VanDerWaalsContact OD1-CB 3.32Å; D516-T518 WeakPolarHBondContact OD1-CB 3.41Å; D516-T518 PolarHBondContact OD1-N 2.74Å; D516-T518 PolarHBondContact OD1-OG1 3.23Å; D516-T518 PolarHBondContact OD2-OG1 3.47Å; D516-L519 HydrophobicContact CB-CD1 3.91Å; D516-L519 HydrophobicContact CB-CG 3.89Å
517	T	93	Very high	94	Very high	97 Å²	97	47.3 Å²	47.3	60%	0.595	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	1.7	178.8	59.6	0	0	0	0	114.4	R216	R216-T517 PolarHBondContact NH1-O 3.02Å
518	T	94	Very high	94.2	Very high	108 Å²	108	49.2 Å²	49.2	66%	0.663	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-18.6	174	72.5	0	0	0	0	113.2	D516	D516-T518 VanDerWaalsContact CG-OG1 3.29Å; D516-T518 PolarHBondContact O-N 3.45Å; D516-T518 WeakPolarHBondContact OD1-CA 3.24Å; D516-T518 VanDerWaalsContact OD1-CB 3.32Å; D516-T518 WeakPolarHBondContact OD1-CB 3.41Å; D516-T518 PolarHBondContact OD1-N 2.74Å; D516-T518 PolarHBondContact OD1-OG1 3.23Å; D516-T518 PolarHBondContact OD2-OG1 3.47Å
519	L	94.6	Very high	94.4	Very high	50 Å²	50	55.5 Å²	55.5	26%	0.262	29%	0.293	S	S	.	.			trans	-64.7	137.1	177.7	-61.3	177.5	0	0	0	112	W139 R216 A512 F513 D516	W139-L519 HydrophobicContact CZ2-CD1 4.43Å; R216-L519 PolarHBondContact NH1-O 3.34Å; A512-L519 HydrophobicContact CB-CD1 4.29Å; F513-L519 HydrophobicContact CD1-CB 3.81Å; F513-L519 HydrophobicContact CD2-CB 3.92Å; F513-L519 HydrophobicContact CD2-CD1 3.76Å; F513-L519 HydrophobicContact CE1-CB 3.72Å; F513-L519 WeakPolarHBondContact CE1-O 3.49Å; F513-L519 HydrophobicContact CE2-CB 3.86Å; F513-L519 HydrophobicContact CE2-CD1 4Å; F513-L519 HydrophobicContact CG-CB 3.93Å; F513-L519 HydrophobicContact CG-CD1 4.33Å; F513-L519 HydrophobicContact CZ-CB 3.77Å; D516-L519 HydrophobicContact CB-CD1 3.91Å; D516-L519 HydrophobicContact CB-CG 3.89Å
520	I	93.1	Very high	94.6	Very high	115 Å²	115	58.2 Å²	58.2	59%	0.59	31%	0.306	S	S	*	.			trans	-142.6	151.6	178.5	59.5	170	0	0	0	109.8	P522	I520-P522 WeakPolarHBondContact O-CD 3.35Å
521	E	95.3	Very high	94.8	Very high	36 Å²	36	58 Å²	58	17%	0.168	31%	0.305	C	S	.	.			trans	-90.1	106.4	163.5	-88.4	-67.2	-163.7	0	0	111.2	R216 S217 P219 K509 R523 Q524	R216-E521 WeakPolarHBondContact O-CB 3.46Å; R216-E521 PolarHBondContact O-N 3.36Å; R216-E521 VanDerWaalsContact O-N 3.14Å; S217-E521 WeakPolarHBondContact O-CG 3.28Å; P219-E521 HydrophobicContact CG-CG 4.25Å; K509-E521 WeakPolarHBondContact CE-OE1 3.49Å; K509-E521 IonicContact NZ-OE1 3.16Å; K509-E521 PolarHBondContact NZ-OE1 2.56Å; E521-R523 VanDerWaalsContact C-N 3.3Å; E521-R523 PolarHBondContact O-N 3.16Å; E521-Q524 HydrophobicContact CB-CG 3.87Å; E521-Q524 WeakPolarHBondContact O-CG 3.41Å
522	P	94.6	Very high	95.2	Very high	103 Å²	103	57.4 Å²	57.4	67%	0.669	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.2	-170.4	27.5	-34.7	0	0	0	113.8	I520	I520-P522 WeakPolarHBondContact O-CD 3.35Å
523	R	95.8	Very high	95.5	Very high	67 Å²	67	64 Å²	64	25%	0.253	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3.2	-172.2	-65.1	-179.4	69.4	-169.1	-2.9	114.9	E144 E521 A525 E526 I527	E144-R523 IonicContact OE2-CZ 3.72Å; E144-R523 IonicContact OE2-NH1 3.86Å; E144-R523 PolarHBondContact OE2-NH1 2.82Å; E521-R523 VanDerWaalsContact C-N 3.3Å; E521-R523 PolarHBondContact O-N 3.16Å; R523-A525 VanDerWaalsContact C-N 3.26Å; R523-A525 PolarHBondContact O-N 2.67Å; R523-A525 VanDerWaalsContact O-N 3.14Å; R523-E526 IonicContact CZ-OE2 3.82Å; R523-E526 IonicContact NE-OE2 3.56Å; R523-E526 PolarHBondContact NE-OE2 3.31Å; R523-E526 IonicContact NH2-OE2 3.39Å; R523-E526 PolarHBondContact O-N 2.98Å; R523-E526 VanDerWaalsContact O-N 3.08Å; R523-I527 HydrophobicContact CB-CD1 3.82Å; R523-I527 HydrophobicContact CB-CG1 4.2Å; R523-I527 WeakPolarHBondContact O-CD1 3.13Å; R523-I527 WeakPolarHBondContact O-CG1 3.37Å; R523-I527 PolarHBondContact O-N 3.28Å
524	Q	97.4	Very high	95.7	Very high	29 Å²	29	65.9 Å²	65.9	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-53.4	-40.9	-176.4	-70.6	-175.5	-22.6	0	0	113.7	T215 N218 P219 M222 E521 R528	T215-Q524 PolarHBondContact O-NE2 3.29Å; N218-Q524 PolarHBondContact O-NE2 2.94Å; P219-Q524 WeakPolarHBondContact O-CA 3.23Å; M222-Q524 HydrophobicContact CB-CB 4.31Å; M222-Q524 HydrophobicContact CG-CB 3.77Å; M222-Q524 HydrophobicContact SD-CB 3.54Å; M222-Q524 VanDerWaalsContact SD-CB 3.54Å; E521-Q524 HydrophobicContact CB-CG 3.87Å; E521-Q524 WeakPolarHBondContact O-CG 3.41Å; Q524-R528 VanDerWaalsContact O-CB 3.29Å; Q524-R528 WeakPolarHBondContact O-CB 3.44Å; Q524-R528 PolarHBondContact O-N 2.95Å; Q524-R528 VanDerWaalsContact O-N 3.08Å
525	A	97.2	Very high	96	Very high	57 Å²	57	65.7 Å²	65.7	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-72.3	-37	-179.2	0	0	0	0	0	112.8	M222 R523 K529	M222-A525 HydrophobicContact CE-CB 4.15Å; M222-A525 HydrophobicContact SD-CB 4.07Å; R523-A525 VanDerWaalsContact C-N 3.26Å; R523-A525 PolarHBondContact O-N 2.67Å; R523-A525 VanDerWaalsContact O-N 3.14Å; A525-K529 PolarHBondContact O-N 3.02Å
526	E	97.6	Very high	96.4	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-53.5	176.2	178.4	-176.7	-146	0	0	110.4	R523 R528 K529 E530	R523-E526 IonicContact CZ-OE2 3.82Å; R523-E526 IonicContact NE-OE2 3.56Å; R523-E526 PolarHBondContact NE-OE2 3.31Å; R523-E526 IonicContact NH2-OE2 3.39Å; R523-E526 PolarHBondContact O-N 2.98Å; R523-E526 VanDerWaalsContact O-N 3.08Å; E526-R528 VanDerWaalsContact C-N 3.29Å; E526-R528 PolarHBondContact O-N 3.05Å; E526-K529 WeakPolarHBondContact O-CA 3.28Å; E526-K529 WeakPolarHBondContact O-CB 3.35Å; E526-K529 PolarHBondContact O-N 3.49Å; E526-E530 PolarHBondContact O-N 2.73Å
527	I	97.6	Very high	96.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-43.9	179	-66.2	160.7	0	0	0	110.8	P145 P219 Y220 R523 K529 E530 C531	P145-I527 HydrophobicContact CB-CD1 3.46Å; P145-I527 VanDerWaalsContact CB-CD1 3.46Å; P145-I527 HydrophobicContact CB-CG1 4.44Å; P145-I527 HydrophobicContact CG-CD1 4.25Å; P219-I527 HydrophobicContact CB-CD1 3.78Å; Y220-I527 HydrophobicContact CD1-CG2 3.45Å; Y220-I527 VanDerWaalsContact CD1-CG2 3.45Å; Y220-I527 HydrophobicContact CE1-CG2 3.56Å; R523-I527 HydrophobicContact CB-CD1 3.82Å; R523-I527 HydrophobicContact CB-CG1 4.2Å; R523-I527 WeakPolarHBondContact O-CD1 3.13Å; R523-I527 WeakPolarHBondContact O-CG1 3.37Å; R523-I527 PolarHBondContact O-N 3.28Å; I527-K529 VanDerWaalsContact C-N 3.3Å; I527-K529 PolarHBondContact O-N 3.03Å; I527-E530 PolarHBondContact O-N 3Å; I527-C531 WeakPolarHBondContact O-CB 3.48Å; I527-C531 PolarHBondContact O-N 2.86Å; I527-C531 PolarHBondContact O-SG 3.4Å
528	R	98.2	Very high	96.9	Very high	47 Å²	47	57.3 Å²	57.3	18%	0.177	31%	0.307	C	S	.	.	H	α-helix	trans	-53.6	-49.8	174.4	174.2	-174.5	-177.3	-85.8	-3	111	M222 I223 Q524 E526 E530 C531 L532 D539	M222-R528 HydrophobicContact CB-CB 4.3Å; M222-R528 WeakPolarHBondContact O-CD 3.31Å; M222-R528 PolarHBondContact O-NE 3.41Å; I223-R528 HydrophobicContact CG1-CB 4.33Å; I223-R528 HydrophobicContact CG1-CG 4.39Å; Q524-R528 VanDerWaalsContact O-CB 3.29Å; Q524-R528 WeakPolarHBondContact O-CB 3.44Å; Q524-R528 PolarHBondContact O-N 2.95Å; Q524-R528 VanDerWaalsContact O-N 3.08Å; E526-R528 VanDerWaalsContact C-N 3.29Å; E526-R528 PolarHBondContact O-N 3.05Å; R528-E530 VanDerWaalsContact C-N 3.34Å; R528-E530 PolarHBondContact O-N 3.17Å; R528-C531 PolarHBondContact O-N 2.71Å; R528-L532 HydrophobicContact CG-CD1 4.17Å; R528-L532 HydrophobicContact CG-CG 4.43Å; R528-L532 VanDerWaalsContact O-CG 3.25Å; R528-L532 WeakPolarHBondContact O-CG 3.37Å; R528-L532 PolarHBondContact O-N 2.78Å; R528-D539 IonicContact CZ-OD1 2.67Å; R528-D539 VanDerWaalsContact CZ-OD1 3.31Å; R528-D539 IonicContact CZ-OD2 2.97Å; R528-D539 IonicContact NH1-OD1 2.94Å; R528-D539 PolarHBondContact NH1-OD1 3.35Å; R528-D539 VanDerWaalsContact NH1-OD1 3.1Å; R528-D539 IonicContact NH1-OD2 2.64Å; R528-D539 PolarHBondContact NH1-OD2 2.92Å; R528-D539 IonicContact NH2-OD1 3.86Å; R528-D539 PolarHBondContact NH2-OD1 3.42Å; R528-D539 IonicContact NH2-OD2 3.43Å
529	K	98.1	Very high	97	Very high	139 Å²	139	56.9 Å²	56.9	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-43.2	-178.3	-175.8	-176.2	174.4	-171.6	0	111.2	A525 E526 I527 L532 Q533	A525-K529 PolarHBondContact O-N 3.02Å; E526-K529 WeakPolarHBondContact O-CA 3.28Å; E526-K529 WeakPolarHBondContact O-CB 3.35Å; E526-K529 PolarHBondContact O-N 3.49Å; I527-K529 VanDerWaalsContact C-N 3.3Å; I527-K529 PolarHBondContact O-N 3.03Å; K529-L532 PolarHBondContact O-N 2.96Å; K529-Q533 WeakPolarHBondContact O-CB 3.44Å; K529-Q533 PolarHBondContact O-N 3.05Å
530	E	98.1	Very high	97	Very high	69 Å²	69	60.3 Å²	60.3	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-49.2	177.2	-69.5	178.6	-174.3	0	0	112	A147 E526 I527 R528 L532 Q533 L534	A147-E530 HydrophobicContact CB-CB 3.86Å; E526-E530 PolarHBondContact O-N 2.73Å; I527-E530 PolarHBondContact O-N 3Å; R528-E530 VanDerWaalsContact C-N 3.34Å; R528-E530 PolarHBondContact O-N 3.17Å; E530-L532 PolarHBondContact O-N 3.14Å; E530-Q533 PolarHBondContact O-N 2.75Å; E530-L534 VanDerWaalsContact O-CB 3.27Å; E530-L534 WeakPolarHBondContact O-CB 3.41Å; E530-L534 PolarHBondContact O-N 2.6Å
531	C	98.5	Very high	96.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-47.6	176.8	-70.6	0	0	0	0	112.2	I223 I527 R528 Q533 L534 W535	I223-C531 HydrophobicContact CD1-CB 3.94Å; I527-C531 WeakPolarHBondContact O-CB 3.48Å; I527-C531 PolarHBondContact O-N 2.86Å; I527-C531 PolarHBondContact O-SG 3.4Å; R528-C531 PolarHBondContact O-N 2.71Å; C531-Q533 VanDerWaalsContact C-N 3.33Å; C531-Q533 PolarHBondContact O-N 2.76Å; C531-L534 PolarHBondContact O-N 3.44Å; C531-W535 HydrophobicContact CB-CD2 4.26Å; C531-W535 HydrophobicContact CB-CE3 4.11Å; C531-W535 HydrophobicContact CB-CH2 3.6Å; C531-W535 HydrophobicContact CB-CZ2 3.77Å; C531-W535 HydrophobicContact CB-CZ3 3.79Å; C531-W535 WeakPolarHBondContact O-CB 3.23Å; C531-W535 VanDerWaalsContact O-CD2 3.24Å; C531-W535 PolarHBondContact O-N 2.95Å
532	L	98.4	Very high	96.7	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-40.3	179.9	-65.8	-174.8	0	0	0	112	V226 M234 R528 K529 E530 G536 I537 D539	V226-L532 HydrophobicContact CG1-CD1 4.44Å; V226-L532 HydrophobicContact CG2-CD1 4.33Å; V226-L532 HydrophobicContact CG2-CD2 3.65Å; M234-L532 HydrophobicContact CE-CD2 3.59Å; R528-L532 HydrophobicContact CG-CD1 4.17Å; R528-L532 HydrophobicContact CG-CG 4.43Å; R528-L532 VanDerWaalsContact O-CG 3.25Å; R528-L532 WeakPolarHBondContact O-CG 3.37Å; R528-L532 PolarHBondContact O-N 2.78Å; K529-L532 PolarHBondContact O-N 2.96Å; E530-L532 PolarHBondContact O-N 3.14Å; L532-G536 PolarHBondContact O-N 3.13Å; L532-G536 VanDerWaalsContact O-N 3.17Å; L532-I537 HydrophobicContact CD2-CB 3.97Å; L532-I537 HydrophobicContact CD2-CG2 3.88Å; L532-I537 PolarHBondContact O-N 2.61Å; L532-D539 HydrophobicContact CD1-CB 4.07Å
533	Q	98.2	Very high	96.5	Very high	153 Å²	153	61.3 Å²	61.3	72%	0.715	33%	0.325	S	S	*	.	H	α-helix	trans	-65	-47.1	175.6	-178.5	174.6	-10.4	0	0	111.5	K529 E530 C531 G536	K529-Q533 WeakPolarHBondContact O-CB 3.44Å; K529-Q533 PolarHBondContact O-N 3.05Å; E530-Q533 PolarHBondContact O-N 2.75Å; C531-Q533 VanDerWaalsContact C-N 3.33Å; C531-Q533 PolarHBondContact O-N 2.76Å; Q533-G536 PolarHBondContact O-N 2.77Å
534	L	98.1	Very high	96	Very high	44 Å²	44	60.7 Å²	60.7	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-46.2	-179	-178.7	62.8	0	0	0	111.6	A147 Y148 H241 E530 C531 G536	A147-L534 HydrophobicContact CB-CD2 4.18Å; A147-L534 VanDerWaalsContact O-CD2 3.25Å; A147-L534 WeakPolarHBondContact O-CD2 3.22Å; Y148-L534 HydrophobicContact CD1-CD2 4.25Å; Y148-L534 HydrophobicContact CE1-CD1 4.05Å; Y148-L534 HydrophobicContact CE1-CD2 4.29Å; H241-L534 PolarHBondContact CE1-O 2.85Å; H241-L534 PolarHBondContact ND1-O 3.21Å; H241-L534 WeakPolarHBondContact NE2-CD1 3.43Å; H241-L534 WeakPolarHBondContact NE2-CG 3.48Å; E530-L534 VanDerWaalsContact O-CB 3.27Å; E530-L534 WeakPolarHBondContact O-CB 3.41Å; E530-L534 PolarHBondContact O-N 2.6Å; C531-L534 PolarHBondContact O-N 3.44Å; L534-G536 PolarHBondContact O-N 3Å
535	W	98.3	Very high	95.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3	-178.3	-52.2	-22.7	0	0	0	113.5	I223 M234 N238 H241 R286 V429 T430 C531 I537	I223-W535 HydrophobicContact CD1-CH2 3.8Å; I223-W535 HydrophobicContact CD1-CZ3 4.09Å; I223-W535 HydrophobicContact CG2-CZ3 4.12Å; M234-W535 HydrophobicContact CE-CE3 3.77Å; M234-W535 HydrophobicContact CE-CZ3 3.83Å; N238-W535 HydrophobicContact CB-CD2 4.25Å; N238-W535 HydrophobicContact CB-CE3 4.26Å; N238-W535 HydrophobicContact CB-CH2 3.83Å; N238-W535 HydrophobicContact CB-CZ2 3.8Å; N238-W535 HydrophobicContact CB-CZ3 4.05Å; N238-W535 WeakPolarHBondContact ND2-CZ2 3.42Å; H241-W535 HydrophobicContact CB-CB 4.28Å; H241-W535 HydrophobicContact CB-CG 4.15Å; H241-W535 AromaticContact CD2-CD1 3.5Å; H241-W535 AromaticContact CG-CD1 3.53Å; R286-W535 PolarHBondContact NH2-O 3.33Å; V429-W535 HydrophobicContact CG2-CH2 4.1Å; V429-W535 HydrophobicContact CG2-CZ2 3.98Å; T430-W535 HydrophobicContact CG2-CH2 3.51Å; T430-W535 HydrophobicContact CG2-CZ3 3.76Å; C531-W535 HydrophobicContact CB-CD2 4.26Å; C531-W535 HydrophobicContact CB-CE3 4.11Å; C531-W535 HydrophobicContact CB-CH2 3.6Å; C531-W535 HydrophobicContact CB-CZ2 3.77Å; C531-W535 HydrophobicContact CB-CZ3 3.79Å; C531-W535 WeakPolarHBondContact O-CB 3.23Å; C531-W535 VanDerWaalsContact O-CD2 3.24Å; C531-W535 PolarHBondContact O-N 2.95Å; W535-I537 HydrophobicContact CB-CG1 3.99Å
536	G	97.8	Very high	94.4	Very high	39 Å²	39	64.9 Å²	64.9	40%	0.402	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	46.4	-178.1	0	0	0	0	0	112.5	R286 L532 Q533 L534	R286-G536 PolarHBondContact NH1-O 2.96Å; L532-G536 PolarHBondContact O-N 3.13Å; L532-G536 VanDerWaalsContact O-N 3.17Å; Q533-G536 PolarHBondContact O-N 2.77Å; L534-G536 PolarHBondContact O-N 3Å
537	I	98.2	Very high	93.4	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.041	38%	0.383	C	S	.	.			trans	-108.4	122.9	177.5	-58.2	-59.8	0	0	0	108.8	F227 F228 M234 A237 Y282 W285 L532 W535	F227-I537 HydrophobicContact CE1-CG2 3.61Å; F227-I537 HydrophobicContact CZ-CG2 4.12Å; F228-I537 HydrophobicContact CE2-CD1 4.47Å; F228-I537 HydrophobicContact CE2-CG2 4.37Å; M234-I537 HydrophobicContact CE-CB 4.49Å; M234-I537 HydrophobicContact CE-CG1 4.15Å; M234-I537 HydrophobicContact CE-CG2 4.18Å; M234-I537 HydrophobicContact SD-CG2 4.17Å; A237-I537 HydrophobicContact CB-CD1 3.94Å; A237-I537 HydrophobicContact CB-CG1 4.23Å; Y282-I537 HydrophobicContact CE2-CD1 4.12Å; W285-I537 HydrophobicContact CH2-CD1 3.79Å; W285-I537 HydrophobicContact CZ3-CD1 3.62Å; L532-I537 HydrophobicContact CD2-CB 3.97Å; L532-I537 HydrophobicContact CD2-CG2 3.88Å; L532-I537 PolarHBondContact O-N 2.61Å; W535-I537 HydrophobicContact CB-CG1 3.99Å
538	P	96.9	Very high	92.7	Very high	43 Å²	43	68.6 Å²	68.6	28%	0.279	40%	0.398	S	S	.	.			trans	-69.4	136.6	-180	27.1	-32.7	0	0	0	111.3	F227 W285 Q540	F227-P538 HydrophobicContact CD1-CG 4.33Å; F227-P538 WeakPolarHBondContact CD1-O 3.45Å; F227-P538 HydrophobicContact CE1-CG 3.53Å; F227-P538 VanDerWaalsContact CE1-O 3.26Å; F227-P538 WeakPolarHBondContact CE1-O 3.28Å; F227-P538 HydrophobicContact CZ-CG 3.92Å; W285-P538 HydrophobicContact CZ2-CG 4Å; P538-Q540 VanDerWaalsContact C-N 3.33Å; P538-Q540 HydrophobicContact CB-CG 4.18Å; P538-Q540 PolarHBondContact O-N 2.76Å
539	D	95.7	Very high	92.4	Very high	98 Å²	98	70.5 Å²	70.5	52%	0.524	41%	0.411	S	S	.	.			trans	-79.8	82.2	176.7	-167.2	-0.2	0	0	0	110.5	R528 L532	R528-D539 IonicContact CZ-OD1 2.67Å; R528-D539 VanDerWaalsContact CZ-OD1 3.31Å; R528-D539 IonicContact CZ-OD2 2.97Å; R528-D539 IonicContact NH1-OD1 2.94Å; R528-D539 PolarHBondContact NH1-OD1 3.35Å; R528-D539 VanDerWaalsContact NH1-OD1 3.1Å; R528-D539 IonicContact NH1-OD2 2.64Å; R528-D539 PolarHBondContact NH1-OD2 2.92Å; R528-D539 IonicContact NH2-OD1 3.86Å; R528-D539 PolarHBondContact NH2-OD1 3.42Å; R528-D539 IonicContact NH2-OD2 3.43Å; L532-D539 HydrophobicContact CD1-CB 4.07Å
540	Q	93.3	Very high	92.2	Very high	123 Å²	123	64.6 Å²	64.6	58%	0.575	39%	0.387	S	S	*	.			trans	-129.1	150.4	-177.6	-65.7	177.2	3.5	0	0	110.4	F227 P538	F227-Q540 HydrophobicContact CD1-CB 4.36Å; P538-Q540 VanDerWaalsContact C-N 3.33Å; P538-Q540 HydrophobicContact CB-CG 4.18Å; P538-Q540 PolarHBondContact O-N 2.76Å
541	A	90.7	Very high	92	Very high	78 Å²	78	66.9 Å²	66.9	65%	0.645	40%	0.396	S	S	*	.			trans	-74.5	149.2	172.7	0	0	0	0	0	110.6	V543	A541-V543 PolarHBondContact O-N 2.83Å
542	R	92.6	Very high	91.7	Very high	89 Å²	89	70.4 Å²	70.4	34%	0.336	42%	0.421	S	S	.	.			trans	-65.9	115	168.8	-175.4	167.4	-178.3	-152.9	-0.9	109.5	F227 F228 L229 D308 Y310	F227-R542 WeakPolarHBondContact O-CB 3.23Å; F227-R542 VanDerWaalsContact O-CG 3.28Å; F227-R542 WeakPolarHBondContact O-CG 3.34Å; F228-R542 WeakPolarHBondContact O-CD 3.3Å; L229-R542 PolarHBondContact O-NH1 3Å; D308-R542 PolarHBondContact O-NH2 2.85Å; Y310-R542 HydrophobicContact CD2-CG 3.83Å; Y310-R542 HydrophobicContact CE2-CG 4.47Å
543	V	89.4	Confident	91.5	Very high	108 Å²	108	71.1 Å²	71.1	66%	0.655	42%	0.423	S	S	*	.			trans	-123.4	127.1	178.2	-179.1	0	0	0	0	109.1	A541	A541-V543 PolarHBondContact O-N 2.83Å
544	A	86.4	Confident	91.3	Very high	54 Å²	54	63.9 Å²	63.9	45%	0.446	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.8	135.4	173.2	0	0	0	0	0	109.5	Y310 S546	Y310-A544 HydrophobicContact CD2-CB 4.12Å; Y310-A544 HydrophobicContact CE2-CB 3.79Å; A544-S546 PolarHBondContact O-N 3.02Å
545	P	82.6	Confident	91.1	Very high	67 Å²	67	66 Å²	66	44%	0.435	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-59	125.6	179.6	-23.3	34.5	0	0	0	110.7
546	S	78.6	Confident	90.9	Very high	106 Å²	106	71.4 Å²	71.4	74%	0.741	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-68.7	139.2	177.4	56.1	0	0	0	0	110.8	A544 S548	A544-S546 PolarHBondContact O-N 3.02Å; S546-S548 PolarHBondContact O-N 3.33Å
547	S	76.6	Confident	90.7	Very high	127 Å²	127	70.3 Å²	70.3	89%	0.888	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-63.5	125.5	167.5	54.1	0	0	0	0	109
548	S	82.6	Confident	90.4	Very high	44 Å²	44	70 Å²	70	31%	0.308	41%	0.405	S	S	.	.			trans	-108.8	141.2	174.5	48.7	0	0	0	0	109.4	S546 L602	S546-S548 PolarHBondContact O-N 3.33Å; S548-L602 WeakPolarHBondContact O-CD1 3.39Å
549	D	91.4	Very high	90	Very high	86 Å²	86	75.4 Å²	75.4	46%	0.46	43%	0.427	S	S	.	.			trans	-62.1	131.5	168.3	157.2	67.4	0	0	0	109.2	K551 S552 K553	D549-K551 PolarHBondContact O-N 3.3Å; D549-K551 VanDerWaalsContact O-N 3.15Å; D549-K551 WeakPolarHBondContact OD2-CB 3.35Å; D549-K551 PolarHBondContact OD2-N 3.22Å; D549-S552 PolarHBondContact O-N 3.44Å; D549-S552 VanDerWaalsContact O-N 3.17Å; D549-S552 PolarHBondContact OD2-N 2.97Å; D549-S552 PolarHBondContact OD2-OG 3.08Å; D549-K553 PolarHBondContact O-N 2.85Å
550	P	94.1	Very high	89.2	Confident	15 Å²	15	74.4 Å²	74.4	10%	0.097	44%	0.44	C	S	.	.	H	α-helix	trans	-53.2	-37.2	-177.7	-29.4	34.5	0	0	0	114.2	F554 L600 L602 Y608 W618	P550-F554 WeakPolarHBondContact O-CB 3.45Å; P550-F554 PolarHBondContact O-N 3.46Å; P550-L600 HydrophobicContact CB-CD2 4.04Å; P550-L600 WeakPolarHBondContact O-CD2 3.39Å; P550-L602 HydrophobicContact CG-CD1 4.07Å; P550-Y608 HydrophobicContact CB-CD1 4.37Å; P550-Y608 HydrophobicContact CB-CD2 4.36Å; P550-Y608 HydrophobicContact CB-CG 4.14Å; P550-Y608 HydrophobicContact CG-CD1 3.68Å; P550-Y608 HydrophobicContact CG-CD2 3.81Å; P550-Y608 HydrophobicContact CG-CE1 3.7Å; P550-Y608 HydrophobicContact CG-CE2 3.85Å; P550-Y608 HydrophobicContact CG-CG 3.74Å; P550-W618 HydrophobicContact CB-CB 3.7Å; P550-W618 HydrophobicContact CB-CD2 4.24Å; P550-W618 HydrophobicContact CB-CG 3.73Å; P550-W618 HydrophobicContact CG-CB 4.37Å
551	K	92.9	Very high	88.6	Confident	118 Å²	118	70.6 Å²	70.6	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-69	-48.3	-179.1	-179	179.6	178.4	176.3	0	110.6	D549 K553 F554 F555	D549-K551 PolarHBondContact O-N 3.3Å; D549-K551 VanDerWaalsContact O-N 3.15Å; D549-K551 WeakPolarHBondContact OD2-CB 3.35Å; D549-K551 PolarHBondContact OD2-N 3.22Å; K551-K553 VanDerWaalsContact C-N 3.29Å; K551-K553 PolarHBondContact O-N 2.9Å; K551-F554 WeakPolarHBondContact O-CB 3.45Å; K551-F554 PolarHBondContact O-N 2.9Å; K551-F555 HydrophobicContact CD-CE2 4.31Å; K551-F555 HydrophobicContact CG-CD2 3.99Å; K551-F555 HydrophobicContact CG-CE2 3.65Å; K551-F555 WeakPolarHBondContact O-CD2 3.23Å; K551-F555 PolarHBondContact O-N 3.01Å; K551-F555 VanDerWaalsContact O-N 3.09Å
552	S	92.6	Very high	88.3	Confident	74 Å²	74	71 Å²	71	52%	0.517	42%	0.416	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.9	-54.8	0	0	0	0	111.1	D549 F555 E556	D549-S552 PolarHBondContact O-N 3.44Å; D549-S552 VanDerWaalsContact O-N 3.17Å; D549-S552 PolarHBondContact OD2-N 2.97Å; D549-S552 PolarHBondContact OD2-OG 3.08Å; S552-F555 PolarHBondContact O-N 3.06Å; S552-E556 PolarHBondContact O-N 3.47Å
553	K	94.9	Very high	88	Confident	19 Å²	19	68.4 Å²	68.4	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-67.2	-39.1	178.5	-170.1	56.7	171.7	-176.3	0	112.9	D549 K551 F555 E556 L557 L600 L602 D630	D549-K553 PolarHBondContact O-N 2.85Å; K551-K553 VanDerWaalsContact C-N 3.29Å; K551-K553 PolarHBondContact O-N 2.9Å; K553-F555 VanDerWaalsContact C-N 3.33Å; K553-F555 PolarHBondContact O-N 2.92Å; K553-E556 HydrophobicContact CD-CB 4.39Å; K553-E556 WeakPolarHBondContact CD-OE2 3.27Å; K553-E556 IonicContact NZ-OE1 2.89Å; K553-E556 PolarHBondContact NZ-OE1 2.66Å; K553-E556 IonicContact NZ-OE2 2.62Å; K553-E556 PolarHBondContact NZ-OE2 3.33Å; K553-E556 VanDerWaalsContact NZ-OE2 3.08Å; K553-E556 WeakPolarHBondContact O-CB 3.31Å; K553-E556 PolarHBondContact O-N 2.89Å; K553-L557 WeakPolarHBondContact O-CG 3.4Å; K553-L557 PolarHBondContact O-N 2.99Å; K553-L600 HydrophobicContact CB-CD2 4.44Å; K553-L602 HydrophobicContact CB-CD2 3.94Å; K553-L602 HydrophobicContact CG-CD2 3.57Å; K553-D630 WeakPolarHBondContact CE-OD1 3.38Å; K553-D630 IonicContact NZ-OD1 3.5Å; K553-D630 PolarHBondContact NZ-OD1 3.06Å
554	F	94.8	Very high	88	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.009	40%	0.395	C	S	.	.	H	α-helix	trans	-57.2	-46	172.6	172.3	-103.5	0	0	0	111.7	P550 K551 E556 L557 I558 I563 F566 L600 W610 W618 L632	P550-F554 WeakPolarHBondContact O-CB 3.45Å; P550-F554 PolarHBondContact O-N 3.46Å; K551-F554 WeakPolarHBondContact O-CB 3.45Å; K551-F554 PolarHBondContact O-N 2.9Å; F554-E556 VanDerWaalsContact C-N 3.34Å; F554-E556 PolarHBondContact O-N 3.13Å; F554-L557 PolarHBondContact O-N 3.15Å; F554-I558 HydrophobicContact CD1-CD1 4.23Å; F554-I558 HydrophobicContact CD2-CG2 4.13Å; F554-I558 HydrophobicContact CE1-CD1 3.72Å; F554-I558 HydrophobicContact CE1-CG2 4.4Å; F554-I558 HydrophobicContact CE2-CG2 3.76Å; F554-I558 HydrophobicContact CZ-CD1 4.08Å; F554-I558 HydrophobicContact CZ-CG2 3.91Å; F554-I558 WeakPolarHBondContact O-CG1 3.46Å; F554-I558 WeakPolarHBondContact O-CG2 3.39Å; F554-I558 PolarHBondContact O-N 3.07Å; F554-I563 HydrophobicContact CE1-CD1 4.29Å; F554-I563 HydrophobicContact CE1-CG1 4.4Å; F554-F566 HydrophobicContact CE2-CD1 4.13Å; F554-F566 AromaticContact CE2-CE1 3.88Å; F554-F566 HydrophobicContact CE2-CE1 3.88Å; F554-F566 HydrophobicContact CE2-CZ 4.2Å; F554-F566 AromaticContact CZ-CD1 3.88Å; F554-F566 HydrophobicContact CZ-CD1 3.88Å; F554-F566 HydrophobicContact CZ-CD2 4.01Å; F554-F566 AromaticContact CZ-CE1 3.86Å; F554-F566 HydrophobicContact CZ-CE1 3.86Å; F554-F566 HydrophobicContact CZ-CE2 4Å; F554-F566 AromaticContact CZ-CG 3.97Å; F554-F566 HydrophobicContact CZ-CG 3.97Å; F554-F566 AromaticContact CZ-CZ 3.94Å; F554-F566 HydrophobicContact CZ-CZ 3.94Å; F554-L600 HydrophobicContact CB-CD2 4.33Å; F554-W610 HydrophobicContact CE1-CZ3 4.14Å; F554-W610 HydrophobicContact CE2-CZ3 4.4Å; F554-W610 HydrophobicContact CZ-CE3 4.41Å; F554-W610 AromaticContact CZ-CZ3 3.77Å; F554-W610 HydrophobicContact CZ-CZ3 3.77Å; F554-W618 HydrophobicContact CB-CZ2 3.77Å; F554-W618 HydrophobicContact CD1-CZ2 4.27Å; F554-W618 AromaticContact CD2-CH2 3.99Å; F554-W618 HydrophobicContact CD2-CH2 3.99Å; F554-W618 AromaticContact CD2-CZ2 3.48Å; F554-W618 HydrophobicContact CD2-CZ2 3.48Å; F554-W618 VanDerWaalsContact CD2-CZ2 3.48Å; F554-W618 HydrophobicContact CE2-CH2 4.48Å; F554-W618 HydrophobicContact CE2-CZ2 4.08Å; F554-W618 HydrophobicContact CG-CH2 4.48Å; F554-W618 AromaticContact CG-CZ2 3.58Å; F554-W618 HydrophobicContact CG-CZ2 3.58Å; F554-L632 HydrophobicContact CD2-CD1 3.94Å; F554-L632 HydrophobicContact CD2-CD2 4Å; F554-L632 HydrophobicContact CE2-CD1 4.09Å; F554-L632 HydrophobicContact CE2-CD2 3.89Å
555	F	92.9	Very high	88.2	Confident	88 Å²	88	65.2 Å²	65.2	39%	0.386	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-37.8	177.7	-78.2	-66.6	0	0	0	113.3	K551 S552 K553 I558 Q559 I563	K551-F555 HydrophobicContact CD-CE2 4.31Å; K551-F555 HydrophobicContact CG-CD2 3.99Å; K551-F555 HydrophobicContact CG-CE2 3.65Å; K551-F555 WeakPolarHBondContact O-CD2 3.23Å; K551-F555 PolarHBondContact O-N 3.01Å; K551-F555 VanDerWaalsContact O-N 3.09Å; S552-F555 PolarHBondContact O-N 3.06Å; K553-F555 VanDerWaalsContact C-N 3.33Å; K553-F555 PolarHBondContact O-N 2.92Å; F555-I558 HydrophobicContact CD1-CD1 3.97Å; F555-I558 HydrophobicContact CE1-CD1 4.39Å; F555-Q559 PolarHBondContact O-N 2.68Å; F555-I563 HydrophobicContact CE1-CB 4.48Å; F555-I563 HydrophobicContact CE1-CD1 3.92Å; F555-I563 HydrophobicContact CZ-CD1 3.64Å
556	E	93.8	Very high	88.6	Confident	114 Å²	114	62.2 Å²	62.2	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-49.5	172.3	-172	-161.1	134.1	0	0	111.1	S552 K553 F554 I558 Q559	S552-E556 PolarHBondContact O-N 3.47Å; K553-E556 HydrophobicContact CD-CB 4.39Å; K553-E556 WeakPolarHBondContact CD-OE2 3.27Å; K553-E556 IonicContact NZ-OE1 2.89Å; K553-E556 PolarHBondContact NZ-OE1 2.66Å; K553-E556 IonicContact NZ-OE2 2.62Å; K553-E556 PolarHBondContact NZ-OE2 3.33Å; K553-E556 VanDerWaalsContact NZ-OE2 3.08Å; K553-E556 WeakPolarHBondContact O-CB 3.31Å; K553-E556 PolarHBondContact O-N 2.89Å; F554-E556 VanDerWaalsContact C-N 3.34Å; F554-E556 PolarHBondContact O-N 3.13Å; E556-I558 PolarHBondContact O-N 3.13Å; E556-Q559 WeakPolarHBondContact O-CG 3.08Å; E556-Q559 PolarHBondContact O-N 3.41Å
557	L	94.4	Very high	89.2	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-33.6	-177.1	-68.1	-175.6	0	0	0	113.3	K553 F554 Q559 L600 D630 L632 V661	K553-L557 WeakPolarHBondContact O-CG 3.4Å; K553-L557 PolarHBondContact O-N 2.99Å; F554-L557 PolarHBondContact O-N 3.15Å; L557-Q559 VanDerWaalsContact C-N 3.31Å; L557-L600 HydrophobicContact CD1-CD1 3.58Å; L557-D630 HydrophobicContact CD2-CB 4.05Å; L557-L632 HydrophobicContact CD1-CB 4.25Å; L557-V661 HydrophobicContact CB-CG2 4.4Å; L557-V661 HydrophobicContact CD2-CG1 4.34Å
558	I	92.2	Very high	89.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-82.4	-8.9	179.3	71.5	176.4	0	0	0	113.1	F554 F555 E556 G560 T561 F566 L632 R668	F554-I558 HydrophobicContact CD1-CD1 4.23Å; F554-I558 HydrophobicContact CD2-CG2 4.13Å; F554-I558 HydrophobicContact CE1-CD1 3.72Å; F554-I558 HydrophobicContact CE1-CG2 4.4Å; F554-I558 HydrophobicContact CE2-CG2 3.76Å; F554-I558 HydrophobicContact CZ-CD1 4.08Å; F554-I558 HydrophobicContact CZ-CG2 3.91Å; F554-I558 WeakPolarHBondContact O-CG1 3.46Å; F554-I558 WeakPolarHBondContact O-CG2 3.39Å; F554-I558 PolarHBondContact O-N 3.07Å; F555-I558 HydrophobicContact CD1-CD1 3.97Å; F555-I558 HydrophobicContact CE1-CD1 4.39Å; E556-I558 PolarHBondContact O-N 3.13Å; I558-G560 PolarHBondContact O-N 3.26Å; I558-T561 WeakPolarHBondContact CD1-O 3.47Å; I558-T561 VanDerWaalsContact O-CB 3.26Å; I558-T561 WeakPolarHBondContact O-CB 3.45Å; I558-T561 PolarHBondContact O-N 2.78Å; I558-T561 PolarHBondContact O-OG1 2.96Å; I558-F566 HydrophobicContact CB-CZ 4.42Å; I558-F566 HydrophobicContact CD1-CE2 4.29Å; I558-F566 HydrophobicContact CG2-CE1 4.4Å; I558-F566 HydrophobicContact CG2-CE2 4.14Å; I558-F566 HydrophobicContact CG2-CZ 3.61Å; I558-L632 HydrophobicContact CG2-CD2 3.96Å; I558-R668 PolarHBondContact O-NH1 2.75Å; I558-R668 PolarHBondContact O-NH2 3.34Å
559	Q	88.1	Confident	90.3	Very high	157 Å²	157	60.9 Å²	60.9	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	50.4	173.3	-60.9	-177	-7.8	0	0	114	F555 E556 L557 T561	F555-Q559 PolarHBondContact O-N 2.68Å; E556-Q559 WeakPolarHBondContact O-CG 3.08Å; E556-Q559 PolarHBondContact O-N 3.41Å; L557-Q559 VanDerWaalsContact C-N 3.31Å; Q559-T561 VanDerWaalsContact C-N 3.27Å; Q559-T561 PolarHBondContact O-N 2.8Å
560	G	77.7	Confident	90.5	Very high	77 Å²	77	58.4 Å²	58.4	79%	0.794	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	10.8	178.9	0	0	0	0	0	115.2	I558	I558-G560 PolarHBondContact O-N 3.26Å
561	T	82.1	Confident	90.6	Very high	43 Å²	43	60.6 Å²	60.6	26%	0.264	33%	0.325	S	S	.	.			trans	-59.5	138.4	166.3	-58.5	0	0	0	0	109.7	I558 Q559 I563 I565 F566 R668	I558-T561 WeakPolarHBondContact CD1-O 3.47Å; I558-T561 VanDerWaalsContact O-CB 3.26Å; I558-T561 WeakPolarHBondContact O-CB 3.45Å; I558-T561 PolarHBondContact O-N 2.78Å; I558-T561 PolarHBondContact O-OG1 2.96Å; Q559-T561 VanDerWaalsContact C-N 3.27Å; Q559-T561 PolarHBondContact O-N 2.8Å; T561-I563 PolarHBondContact O-N 2.87Å; T561-I565 HydrophobicContact CG2-CD1 3.74Å; T561-F566 HydrophobicContact CG2-CE2 4.28Å; T561-R668 PolarHBondContact OG1-NH1 3.05Å
562	D	84.1	Confident	90.8	Very high	86 Å²	86	59.1 Å²	59.1	46%	0.46	33%	0.328	S	S	.	.			trans	-56.5	124.1	177.1	-172.2	-4.3	0	0	0	111.3	D564 I565	D562-D564 PolarHBondContact O-N 2.93Å; D562-D564 WeakPolarHBondContact OD1-CB 3.47Å; D562-D564 PolarHBondContact OD1-N 3.23Å; D562-I565 HydrophobicContact CB-CD1 4.16Å; D562-I565 HydrophobicContact CB-CG1 4.33Å; D562-I565 WeakPolarHBondContact O-CB 3.41Å; D562-I565 PolarHBondContact O-N 3.21Å
563	I	86.8	Confident	91	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.185	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.9	-25.5	179.9	-171.7	164.2	0	0	0	111.7	F554 F555 T561 I565 F566 W610 Q614	F554-I563 HydrophobicContact CE1-CD1 4.29Å; F554-I563 HydrophobicContact CE1-CG1 4.4Å; F555-I563 HydrophobicContact CE1-CB 4.48Å; F555-I563 HydrophobicContact CE1-CD1 3.92Å; F555-I563 HydrophobicContact CZ-CD1 3.64Å; T561-I563 PolarHBondContact O-N 2.87Å; I563-I565 PolarHBondContact O-N 3.45Å; I563-I565 VanDerWaalsContact O-N 3.15Å; I563-F566 WeakPolarHBondContact O-CB 3.32Å; I563-F566 PolarHBondContact O-N 2.9Å; I563-W610 HydrophobicContact CD1-CH2 4.19Å; I563-W610 HydrophobicContact CG1-CH2 4.02Å; I563-Q614 HydrophobicContact CD1-CG 4.44Å; I563-Q614 HydrophobicContact CG2-CG 4.42Å
564	D	88.3	Confident	90.9	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.3	-26.3	-179	-72	-18	0	0	0	111.9	D562 F566 S567 Q614	D562-D564 PolarHBondContact O-N 2.93Å; D562-D564 WeakPolarHBondContact OD1-CB 3.47Å; D562-D564 PolarHBondContact OD1-N 3.23Å; D564-F566 PolarHBondContact O-N 2.99Å; D564-F566 VanDerWaalsContact O-N 3.16Å; D564-S567 PolarHBondContact O-N 3.01Å; D564-S567 PolarHBondContact O-OG 3.05Å; D564-Q614 PolarHBondContact OD1-NE2 2.7Å
565	I	90.4	Very high	90.8	Very high	28 Å²	28	62.4 Å²	62.4	14%	0.144	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-55	-34.6	173.6	-66.2	170.1	0	0	0	112.1	T561 D562 I563 S567 Y568 H788 H791	T561-I565 HydrophobicContact CG2-CD1 3.74Å; D562-I565 HydrophobicContact CB-CD1 4.16Å; D562-I565 HydrophobicContact CB-CG1 4.33Å; D562-I565 WeakPolarHBondContact O-CB 3.41Å; D562-I565 PolarHBondContact O-N 3.21Å; I563-I565 PolarHBondContact O-N 3.45Å; I563-I565 VanDerWaalsContact O-N 3.15Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-Y568 HydrophobicContact CB-CE2 4.45Å; I565-Y568 HydrophobicContact CG1-CE2 4.34Å; I565-Y568 VanDerWaalsContact O-CD2 3.24Å; I565-Y568 WeakPolarHBondContact O-CD2 3.25Å; I565-H788 HydrophobicContact CD1-CB 4.04Å; I565-H788 HydrophobicContact CG2-CB 3.56Å; I565-H791 PolarHBondContact O-CD2 2.88Å; I565-H791 PolarHBondContact O-NE2 2.97Å
566	F	91.3	Very high	90.8	Very high	4 Å²	4	62 Å²	62	2%	0.018	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-82.9	-13.4	-177.1	-61.1	-98.6	0	0	0	112.7	F554 I558 T561 I563 D564 F598 W610 G612 L660 F787	F554-F566 HydrophobicContact CE2-CD1 4.13Å; F554-F566 AromaticContact CE2-CE1 3.88Å; F554-F566 HydrophobicContact CE2-CE1 3.88Å; F554-F566 HydrophobicContact CE2-CZ 4.2Å; F554-F566 AromaticContact CZ-CD1 3.88Å; F554-F566 HydrophobicContact CZ-CD1 3.88Å; F554-F566 HydrophobicContact CZ-CD2 4.01Å; F554-F566 AromaticContact CZ-CE1 3.86Å; F554-F566 HydrophobicContact CZ-CE1 3.86Å; F554-F566 HydrophobicContact CZ-CE2 4Å; F554-F566 AromaticContact CZ-CG 3.97Å; F554-F566 HydrophobicContact CZ-CG 3.97Å; F554-F566 AromaticContact CZ-CZ 3.94Å; F554-F566 HydrophobicContact CZ-CZ 3.94Å; I558-F566 HydrophobicContact CB-CZ 4.42Å; I558-F566 HydrophobicContact CD1-CE2 4.29Å; I558-F566 HydrophobicContact CG2-CE1 4.4Å; I558-F566 HydrophobicContact CG2-CE2 4.14Å; I558-F566 HydrophobicContact CG2-CZ 3.61Å; T561-F566 HydrophobicContact CG2-CE2 4.28Å; I563-F566 WeakPolarHBondContact O-CB 3.32Å; I563-F566 PolarHBondContact O-N 2.9Å; D564-F566 PolarHBondContact O-N 2.99Å; D564-F566 VanDerWaalsContact O-N 3.16Å; F566-F598 HydrophobicContact CB-CD2 4.44Å; F566-F598 HydrophobicContact CB-CE2 3.81Å; F566-F598 HydrophobicContact CB-CZ 4.07Å; F566-F598 AromaticContact CD1-CD1 3.98Å; F566-F598 HydrophobicContact CD1-CD1 3.98Å; F566-F598 HydrophobicContact CD1-CD2 4.27Å; F566-F598 AromaticContact CD1-CE1 3.54Å; F566-F598 HydrophobicContact CD1-CE1 3.54Å; F566-F598 AromaticContact CD1-CE2 3.87Å; F566-F598 HydrophobicContact CD1-CE2 3.87Å; F566-F598 HydrophobicContact CD1-CG 4.31Å; F566-F598 AromaticContact CD1-CZ 3.48Å; F566-F598 HydrophobicContact CD1-CZ 3.48Å; F566-F598 VanDerWaalsContact CD1-CZ 3.48Å; F566-F598 HydrophobicContact CE1-CD1 4.4Å; F566-F598 HydrophobicContact CE1-CE1 4.04Å; F566-F598 HydrophobicContact CE1-CZ 4.38Å; F566-F598 HydrophobicContact CG-CE2 4.35Å; F566-F598 HydrophobicContact CG-CZ 4.21Å; F566-F598 WeakPolarHBondContact O-CE2 3.35Å; F566-W610 HydrophobicContact CB-CH2 3.82Å; F566-W610 HydrophobicContact CB-CZ3 3.59Å; F566-W610 HydrophobicContact CD1-CZ3 4.45Å; F566-W610 HydrophobicContact CG-CZ3 4.16Å; F566-G612 WeakPolarHBondContact O-CA 3.46Å; F566-L660 HydrophobicContact CD1-CD2 4.5Å; F566-L660 HydrophobicContact CE1-CD2 3.47Å; F566-L660 VanDerWaalsContact CE1-CD2 3.47Å; F566-L660 HydrophobicContact CZ-CD2 4.07Å; F566-F787 HydrophobicContact CE1-CE1 4.34Å
567	S	90.6	Very high	90.9	Very high	44 Å²	44	57 Å²	57	31%	0.308	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.9	-179.1	76	0	0	0	0	113.6	D564 I565 K569 G612	D564-S567 PolarHBondContact O-N 3.01Å; D564-S567 PolarHBondContact O-OG 3.05Å; I565-S567 VanDerWaalsContact C-N 3.32Å; S567-K569 PolarHBondContact O-N 2.85Å; S567-G612 WeakPolarHBondContact CA-O 3.46Å; S567-G612 VanDerWaalsContact CB-O 3.27Å; S567-G612 WeakPolarHBondContact CB-O 3.39Å
568	Y	91.6	Very high	90.9	Very high	91 Å²	91	57 Å²	57	36%	0.357	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-58.5	125.8	-177.6	-72.1	-55.9	0	0	0	112	I565 H791 Y792 R794	I565-Y568 HydrophobicContact CB-CE2 4.45Å; I565-Y568 HydrophobicContact CG1-CE2 4.34Å; I565-Y568 VanDerWaalsContact O-CD2 3.24Å; I565-Y568 WeakPolarHBondContact O-CD2 3.25Å; Y568-H791 PolarHBondContact O-NE2 3.1Å; Y568-Y792 AromaticContact CD1-CD2 3.8Å; Y568-Y792 HydrophobicContact CD1-CD2 3.8Å; Y568-Y792 HydrophobicContact CD1-CE2 4.11Å; Y568-Y792 AromaticContact CD2-CD2 3.76Å; Y568-Y792 HydrophobicContact CD2-CD2 3.76Å; Y568-Y792 AromaticContact CE1-CD2 3.74Å; Y568-Y792 HydrophobicContact CE1-CD2 3.74Å; Y568-Y792 AromaticContact CE1-CE2 3.79Å; Y568-Y792 HydrophobicContact CE1-CE2 3.79Å; Y568-Y792 AromaticContact CE2-CD2 3.7Å; Y568-Y792 HydrophobicContact CE2-CD2 3.7Å; Y568-Y792 HydrophobicContact CE2-CE2 4.44Å; Y568-Y792 AromaticContact CG-CD2 3.84Å; Y568-Y792 HydrophobicContact CG-CD2 3.84Å; Y568-Y792 AromaticContact CZ-CD2 3.72Å; Y568-Y792 AromaticContact CZ-CE2 4Å; Y568-R794 PolarHBondContact O-NH1 2.95Å; Y568-R794 PolarHBondContact O-NH2 3.39Å
569	K	92.3	Very high	90.9	Very high	115 Å²	115	61 Å²	61	50%	0.5	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-86.6	147	171.7	-64.6	-59.3	-179.5	-171.3	0	110.6	S567	S567-K569 PolarHBondContact O-N 2.85Å
570	P	95	Very high	91	Very high	33 Å²	33	60.7 Å²	60.7	21%	0.214	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61	143.1	176.7	28.5	-36.2	0	0	0	110.2	Y745 R794 F796	P570-Y745 HydrophobicContact CB-CE1 4.26Å; P570-Y745 HydrophobicContact CG-CE1 4.3Å; P570-R794 HydrophobicContact CB-CG 3.84Å; P570-F796 HydrophobicContact CB-CB 3.67Å; P570-F796 HydrophobicContact CG-CB 3.89Å
571	T	96.8	Very high	91.6	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.38	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.1	174.6	-62.8	0	0	0	0	109.4	L573 T577 R794 L795 F796	T571-L573 PolarHBondContact O-N 3.38Å; T571-T577 HydrophobicContact CG2-CG2 3.87Å; T571-R794 PolarHBondContact N-O 2.79Å; T571-L795 HydrophobicContact CG2-CD2 3.89Å; T571-L795 CarbonylContact O-C 3.47Å; T571-L795 WeakPolarHBondContact O-CA 3.38Å; T571-F796 PolarHBondContact O-N 3.49Å
572	P	96.7	Very high	91.8	Very high	87 Å²	87	61.6 Å²	61.6	57%	0.565	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	137.2	177.9	-25.3	34.8	0	0	0	112.7	T577	P572-T577 PolarHBondContact O-OG1 2.98Å
573	L	95.9	Very high	92.1	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.084	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-80.6	118.6	171.5	-167.7	72.6	0	0	0	110	T571 T577 L578 I581 I746 L795 F796 W797 L817 V822	T571-L573 PolarHBondContact O-N 3.38Å; L573-T577 WeakPolarHBondContact CA-OG1 3.12Å; L573-L578 HydrophobicContact CD1-CB 4.27Å; L573-L578 HydrophobicContact CD1-CD1 4.35Å; L573-I581 HydrophobicContact CD1-CD1 3.75Å; L573-I746 HydrophobicContact CD1-CD1 4.41Å; L573-I746 HydrophobicContact CD2-CD1 3.91Å; L573-L795 HydrophobicContact CD1-CB 4.47Å; L573-L795 HydrophobicContact CD1-CD1 3.87Å; L573-F796 PolarHBondContact N-O 3.42Å; L573-W797 HydrophobicContact CB-CB 3.81Å; L573-W797 HydrophobicContact CB-CG 4.33Å; L573-W797 HydrophobicContact CD2-CB 3.66Å; L573-W797 HydrophobicContact CD2-CD2 4.23Å; L573-W797 HydrophobicContact CD2-CG 3.78Å; L573-W797 HydrophobicContact CG-CB 4.37Å; L573-L817 HydrophobicContact CD2-CD1 4.07Å; L573-L817 HydrophobicContact CG-CD1 3.81Å; L573-V822 HydrophobicContact CD2-CG2 4.41Å
574	N	94.3	Very high	92.4	Very high	70 Å²	70	60 Å²	60	37%	0.374	31%	0.311	S	S	.	.			trans	-143	177.2	174.7	60.9	48.3	0	0	0	108.8	S576 T577 L578	N574-S576 PolarHBondContact O-N 3.12Å; N574-S576 VanDerWaalsContact O-N 3.13Å; N574-S576 WeakPolarHBondContact OD1-CA 3.38Å; N574-S576 WeakPolarHBondContact OD1-CB 3.38Å; N574-S576 PolarHBondContact OD1-N 3.02Å; N574-T577 PolarHBondContact N-OG1 3.03Å; N574-T577 PolarHBondContact O-N 3.28Å; N574-T577 VanDerWaalsContact O-N 3.11Å; N574-T577 PolarHBondContact O-OG1 2.85Å; N574-T577 PolarHBondContact OD1-N 3.32Å; N574-T577 PolarHBondContact OD1-OG1 3.12Å; N574-L578 VanDerWaalsContact O-CB 3.32Å; N574-L578 WeakPolarHBondContact O-CB 3.5Å; N574-L578 PolarHBondContact O-N 3.24Å
575	S	92.3	Very high	92.7	Very high	77 Å²	77	57.2 Å²	57.2	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-55.8	-34.5	-176.4	-46.8	0	0	0	0	113.4	E579	S575-E579 WeakPolarHBondContact O-CG 3.49Å; S575-E579 PolarHBondContact O-N 3.27Å
576	S	93	Very high	93	Very high	79 Å²	79	56 Å²	56	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-73.3	-39.4	178.2	-179.5	0	0	0	0	112.9	N574	N574-S576 PolarHBondContact O-N 3.12Å; N574-S576 VanDerWaalsContact O-N 3.13Å; N574-S576 WeakPolarHBondContact OD1-CA 3.38Å; N574-S576 WeakPolarHBondContact OD1-CB 3.38Å; N574-S576 PolarHBondContact OD1-N 3.02Å
577	T	94.5	Very high	93.2	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-80.2	-28.5	179.3	54.1	0	0	0	0	112.4	T571 P572 L573 N574 E579 K580	T571-T577 HydrophobicContact CG2-CG2 3.87Å; P572-T577 PolarHBondContact O-OG1 2.98Å; L573-T577 WeakPolarHBondContact CA-OG1 3.12Å; N574-T577 PolarHBondContact N-OG1 3.03Å; N574-T577 PolarHBondContact O-N 3.28Å; N574-T577 VanDerWaalsContact O-N 3.11Å; N574-T577 PolarHBondContact O-OG1 2.85Å; N574-T577 PolarHBondContact OD1-N 3.32Å; N574-T577 PolarHBondContact OD1-OG1 3.12Å; T577-E579 VanDerWaalsContact C-N 3.34Å; T577-E579 PolarHBondContact O-N 2.89Å; T577-K580 WeakPolarHBondContact O-CB 3.46Å; T577-K580 PolarHBondContact O-N 2.84Å; T577-K580 VanDerWaalsContact O-N 3.13Å
578	L	94.3	Very high	93.5	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-43.2	172.3	-176.6	61.7	0	0	0	111.4	L573 N574 K580 I581 L817 F825	L573-L578 HydrophobicContact CD1-CB 4.27Å; L573-L578 HydrophobicContact CD1-CD1 4.35Å; N574-L578 VanDerWaalsContact O-CB 3.32Å; N574-L578 WeakPolarHBondContact O-CB 3.5Å; N574-L578 PolarHBondContact O-N 3.24Å; L578-K580 PolarHBondContact O-N 3.29Å; L578-I581 HydrophobicContact CD1-CD1 4.19Å; L578-I581 WeakPolarHBondContact O-CB 3.37Å; L578-I581 PolarHBondContact O-N 2.96Å; L578-L817 HydrophobicContact CB-CD1 4.33Å; L578-L817 HydrophobicContact CD2-CD1 4.12Å; L578-L817 HydrophobicContact CD2-CD2 4.04Å; L578-F825 HydrophobicContact CD1-CB 4.43Å; L578-F825 HydrophobicContact CD1-CD1 3.62Å; L578-F825 HydrophobicContact CD1-CE1 4.03Å; L578-F825 HydrophobicContact CD1-CG 3.98Å; L578-F825 HydrophobicContact CD2-CB 3.91Å; L578-F825 HydrophobicContact CD2-CD1 4.44Å; L578-F825 HydrophobicContact CD2-CD2 4.24Å; L578-F825 HydrophobicContact CD2-CG 3.94Å; L578-F825 HydrophobicContact CG-CB 4.24Å; L578-F825 HydrophobicContact CG-CD1 3.83Å; L578-F825 HydrophobicContact CG-CD2 3.97Å; L578-F825 HydrophobicContact CG-CE1 4.18Å; L578-F825 HydrophobicContact CG-CE2 4.3Å; L578-F825 HydrophobicContact CG-CG 3.73Å; L578-F825 HydrophobicContact CG-CZ 4.4Å; L578-F825 WeakPolarHBondContact O-CE1 3.33Å; L578-F825 WeakPolarHBondContact O-CZ 3.33Å
579	E	92.8	Very high	93.8	Very high	85 Å²	85	51.5 Å²	51.5	40%	0.397	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.1	175.7	-77.5	-63.7	149.9	0	0	114.5	S575 T577 R582	S575-E579 WeakPolarHBondContact O-CG 3.49Å; S575-E579 PolarHBondContact O-N 3.27Å; T577-E579 VanDerWaalsContact C-N 3.34Å; T577-E579 PolarHBondContact O-N 2.89Å; E579-R582 WeakPolarHBondContact O-CG 3.48Å; E579-R582 PolarHBondContact O-NE 3.12Å; E579-R582 IonicContact OE2-CZ 3.9Å; E579-R582 IonicContact OE2-NE 2.77Å; E579-R582 IonicContact OE2-NH2 3.5Å; E579-R582 PolarHBondContact OE2-NH2 2.92Å
580	K	89.9	Confident	94	Very high	152 Å²	152	46.3 Å²	46.3	66%	0.661	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.2	176.2	-58.5	179.4	-177.3	177.3	0	112.9	T577 L578 R582	T577-K580 WeakPolarHBondContact O-CB 3.46Å; T577-K580 PolarHBondContact O-N 2.84Å; T577-K580 VanDerWaalsContact O-N 3.13Å; L578-K580 PolarHBondContact O-N 3.29Å; K580-R582 VanDerWaalsContact C-N 3.31Å; K580-R582 PolarHBondContact O-N 3.45Å
581	I	90.6	Very high	94.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	23%	0.234	C	C	.	.			trans	-95.3	35.1	-176.4	-43.7	173.5	0	0	0	111.7	L573 L578 Q583 Y587 L705 I746 L795 F825	L573-I581 HydrophobicContact CD1-CD1 3.75Å; L578-I581 HydrophobicContact CD1-CD1 4.19Å; L578-I581 WeakPolarHBondContact O-CB 3.37Å; L578-I581 PolarHBondContact O-N 2.96Å; I581-Q583 PolarHBondContact O-N 3.29Å; I581-Y587 HydrophobicContact CB-CE2 4.35Å; I581-Y587 HydrophobicContact CG2-CD1 4.27Å; I581-Y587 HydrophobicContact CG2-CD2 3.49Å; I581-Y587 VanDerWaalsContact CG2-CD2 3.49Å; I581-Y587 HydrophobicContact CG2-CE1 4.23Å; I581-Y587 HydrophobicContact CG2-CE2 3.5Å; I581-Y587 HydrophobicContact CG2-CG 3.89Å; I581-L705 HydrophobicContact CG2-CD2 3.5Å; I581-I746 HydrophobicContact CD1-CD1 4.18Å; I581-L795 HydrophobicContact CD1-CD1 3.3Å; I581-L795 HydrophobicContact CG1-CD1 3.66Å; I581-F825 HydrophobicContact CB-CE1 4.33Å
582	R	86	Confident	94.1	Very high	136 Å²	136	42 Å²	42	51%	0.513	22%	0.216	S	C	.	.			trans	-60.9	-29.6	-176.2	-70	177.2	178	-105	-3.1	113.6	E579 K580 V584	E579-R582 WeakPolarHBondContact O-CG 3.48Å; E579-R582 PolarHBondContact O-NE 3.12Å; E579-R582 IonicContact OE2-CZ 3.9Å; E579-R582 IonicContact OE2-NE 2.77Å; E579-R582 IonicContact OE2-NH2 3.5Å; E579-R582 PolarHBondContact OE2-NH2 2.92Å; K580-R582 VanDerWaalsContact C-N 3.31Å; K580-R582 PolarHBondContact O-N 3.45Å; R582-V584 PolarHBondContact O-N 3.05Å
583	Q	91.5	Very high	93.9	Very high	85 Å²	85	38.5 Å²	38.5	40%	0.397	20%	0.196	S	C	.	.			trans	-93	70.5	178.1	-58.5	-61.8	-16.2	0	0	110	I581 L585 D586 Y587 T755	I581-Q583 PolarHBondContact O-N 3.29Å; Q583-L585 PolarHBondContact O-N 3.43Å; Q583-D586 HydrophobicContact CB-CB 4.45Å; Q583-D586 WeakPolarHBondContact CB-OD2 3.23Å; Q583-D586 WeakPolarHBondContact O-CB 3.32Å; Q583-D586 PolarHBondContact O-N 2.87Å; Q583-Y587 VanDerWaalsContact O-CD2 3.29Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.28Å; Q583-T755 VanDerWaalsContact CB-OG1 3.24Å; Q583-T755 WeakPolarHBondContact CB-OG1 3.48Å; Q583-T755 WeakPolarHBondContact CG-OG1 3.19Å
584	V	93.6	Very high	93.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-49	-40.5	-172.4	176.1	0	0	0	0	112.7	R582 D586 Y587 L705 E706 I826 H829	R582-V584 PolarHBondContact O-N 3.05Å; V584-D586 PolarHBondContact O-N 3.29Å; V584-D586 VanDerWaalsContact O-N 3.15Å; V584-Y587 PolarHBondContact O-N 2.84Å; V584-Y587 VanDerWaalsContact O-N 3.12Å; V584-L705 HydrophobicContact CG1-CB 4.09Å; V584-L705 HydrophobicContact CG1-CD2 4.11Å; V584-L705 HydrophobicContact CG1-CG 3.94Å; V584-E706 HydrophobicContact CG1-CB 3.83Å; V584-I826 HydrophobicContact CG1-CG2 3.93Å; V584-H829 HydrophobicContact CG2-CB 3.89Å
585	L	94.6	Very high	93.8	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.6	-20.7	-176.4	-65.1	-178.9	0	0	0	114.3	Q583 Y587 R588 E706 M756 K765 Y830	Q583-L585 PolarHBondContact O-N 3.43Å; L585-Y587 PolarHBondContact O-N 2.99Å; L585-R588 PolarHBondContact O-NH1 2.91Å; L585-E706 HydrophobicContact CD2-CB 4.48Å; L585-E706 HydrophobicContact CD2-CG 4.02Å; L585-E706 WeakPolarHBondContact CD2-OE1 3.5Å; L585-M756 HydrophobicContact CB-CB 3.61Å; L585-M756 HydrophobicContact CB-CE 4.43Å; L585-M756 HydrophobicContact CD1-CB 4.42Å; L585-K765 HydrophobicContact CD1-CD 4.35Å; L585-K765 HydrophobicContact CD1-CG 4.28Å; L585-K765 HydrophobicContact CD2-CD 4.17Å; L585-Y830 HydrophobicContact CD1-CD2 4.37Å; L585-Y830 HydrophobicContact CD1-CE2 4.12Å; L585-Y830 HydrophobicContact CD2-CD2 3.9Å; L585-Y830 HydrophobicContact CD2-CE2 3.6Å; L585-Y830 HydrophobicContact CG-CD2 4.11Å; L585-Y830 HydrophobicContact CG-CE2 4.11Å
586	D	94.9	Very high	94	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.011	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-73.5	-8.9	178.2	-69.4	-12	0	0	0	113	Q583 V584 R748 T749 V750 T755 M756	Q583-D586 HydrophobicContact CB-CB 4.45Å; Q583-D586 WeakPolarHBondContact CB-OD2 3.23Å; Q583-D586 WeakPolarHBondContact O-CB 3.32Å; Q583-D586 PolarHBondContact O-N 2.87Å; V584-D586 PolarHBondContact O-N 3.29Å; V584-D586 VanDerWaalsContact O-N 3.15Å; D586-R748 HydrophobicContact CB-CG 4.43Å; D586-T749 PolarHBondContact O-N 2.93Å; D586-T749 PolarHBondContact O-OG1 2.85Å; D586-T749 VanDerWaalsContact O-OG1 3.13Å; D586-V750 HydrophobicContact CB-CB 4.02Å; D586-V750 HydrophobicContact CB-CG2 4.06Å; D586-V750 WeakPolarHBondContact OD1-CG2 3.4Å; D586-T755 VanDerWaalsContact CG-OG1 3.32Å; D586-T755 WeakPolarHBondContact OD1-CA 3.48Å; D586-T755 PolarHBondContact OD1-OG1 2.99Å; D586-T755 WeakPolarHBondContact OD2-CA 3.47Å; D586-T755 WeakPolarHBondContact OD2-CB 3.46Å; D586-T755 PolarHBondContact OD2-OG1 3.42Å; D586-M756 WeakPolarHBondContact OD1-CB 3.14Å; D586-M756 PolarHBondContact OD1-N 3.2Å
587	Y	96.6	Very high	94.1	Very high	23 Å²	23	39.2 Å²	39.2	9%	0.09	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.3	-168.4	-65.3	-94.6	0	0	0	113.2	I581 Q583 V584 L585 L705 I746 V747 R748	I581-Y587 HydrophobicContact CB-CE2 4.35Å; I581-Y587 HydrophobicContact CG2-CD1 4.27Å; I581-Y587 HydrophobicContact CG2-CD2 3.49Å; I581-Y587 VanDerWaalsContact CG2-CD2 3.49Å; I581-Y587 HydrophobicContact CG2-CE1 4.23Å; I581-Y587 HydrophobicContact CG2-CE2 3.5Å; I581-Y587 HydrophobicContact CG2-CG 3.89Å; Q583-Y587 VanDerWaalsContact O-CD2 3.29Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.28Å; V584-Y587 PolarHBondContact O-N 2.84Å; V584-Y587 VanDerWaalsContact O-N 3.12Å; L585-Y587 PolarHBondContact O-N 2.99Å; Y587-L705 HydrophobicContact CD2-CD2 4.35Å; Y587-L705 HydrophobicContact CG-CD2 4.08Å; Y587-L705 PolarHBondContact O-N 3.44Å; Y587-I746 HydrophobicContact CD1-CG2 3.67Å; Y587-I746 HydrophobicContact CG-CG2 4.1Å; Y587-V747 CarbonylContact C-O 3.6Å; Y587-V747 VanDerWaalsContact CA-O 3.3Å; Y587-V747 WeakPolarHBondContact CA-O 3.33Å; Y587-R748 HydrophobicContact CD1-CB 3.86Å; Y587-R748 HydrophobicContact CD1-CG 4.29Å; Y587-R748 HydrophobicContact CE1-CB 3.56Å; Y587-R748 HydrophobicContact CE1-CG 3.87Å; Y587-R748 HydrophobicContact CE2-CG 4.45Å
588	R	97.1	Very high	94.2	Very high	22 Å²	22	38.9 Å²	38.9	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.5	169.2	-61.4	-60.4	177.3	-91.3	-2.6	109.4	L585 F672 V702 Y703 I746 V747 T749	L585-R588 PolarHBondContact O-NH1 2.91Å; R588-F672 HydrophobicContact CB-CD1 4.41Å; R588-F672 HydrophobicContact CB-CE1 3.99Å; R588-F672 HydrophobicContact CG-CD1 4.16Å; R588-F672 HydrophobicContact CG-CE1 4.17Å; R588-V702 HydrophobicContact CB-CG1 3.77Å; R588-V702 HydrophobicContact CG-CG1 4.04Å; R588-Y703 CarbonylContact C-O 3.51Å; R588-Y703 VanDerWaalsContact CA-O 3.25Å; R588-Y703 WeakPolarHBondContact CA-O 3.24Å; R588-Y703 WeakPolarHBondContact CD-O 3.35Å; R588-I746 CarbonylContact O-C 3.53Å; R588-I746 WeakPolarHBondContact O-CA 3.24Å; R588-V747 PolarHBondContact N-O 3.4Å; R588-V747 PolarHBondContact O-N 3.2Å; R588-T749 HydrophobicContact CB-CG2 4.15Å; R588-T749 HydrophobicContact CG-CG2 3.58Å
589	C	96.9	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.9	177.2	58	0	0	0	0	113.4	Y703 M708 L744 Y745 I746	C589-Y703 PolarHBondContact N-O 2.82Å; C589-Y703 PolarHBondContact O-N 2.88Å; C589-M708 HydrophobicContact CB-CE 3.78Å; C589-M708 VanDerWaalsContact SG-CE 3.56Å; C589-L744 HydrophobicContact CB-CD1 4.14Å; C589-L744 HydrophobicContact CB-CD2 3.83Å; C589-L744 HydrophobicContact CB-CG 4.11Å; C589-Y745 CarbonylContact C-O 3.58Å; C589-Y745 WeakPolarHBondContact CA-O 3.17Å; C589-Y745 VanDerWaalsContact CB-O 3.27Å; C589-Y745 WeakPolarHBondContact CB-O 3.24Å; C589-I746 HydrophobicContact CB-CG1 4.35Å
590	M	96.8	Very high	94.7	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.6	-177.8	-65.2	175.4	-73.6	0	0	109.4	S592 L657 F672 K700 V702 L744 Y745 V747	M590-S592 PolarHBondContact O-N 3.37Å; M590-L657 HydrophobicContact CE-CD2 4.2Å; M590-L657 HydrophobicContact SD-CD2 4.17Å; M590-F672 HydrophobicContact CE-CE2 4.41Å; M590-F672 HydrophobicContact CE-CZ 3.89Å; M590-F672 HydrophobicContact SD-CZ 4.21Å; M590-K700 HydrophobicContact CG-CB 4.38Å; M590-K700 HydrophobicContact SD-CB 3.97Å; M590-V702 HydrophobicContact CG-CG2 3.9Å; M590-V702 HydrophobicContact SD-CG2 3.86Å; M590-L744 WeakPolarHBondContact O-CA 3.37Å; M590-Y745 PolarHBondContact N-O 3.16Å; M590-Y745 PolarHBondContact O-N 3Å; M590-V747 HydrophobicContact CE-CG2 3.87Å
591	V	96.8	Very high	95	Very high	4 Å²	4	27 Å²	27	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.3	174.2	-176.4	0	0	0	0	109	K700 I711 Y731 F739 P741 W799	V591-K700 VanDerWaalsContact O-CD 3.25Å; V591-K700 WeakPolarHBondContact O-CD 3.33Å; V591-K700 WeakPolarHBondContact O-CE 3.37Å; V591-K700 PolarHBondContact O-NZ 3.49Å; V591-I711 HydrophobicContact CG2-CB 4.48Å; V591-I711 HydrophobicContact CG2-CD1 4.18Å; V591-I711 HydrophobicContact CG2-CG1 4.37Å; V591-I711 HydrophobicContact CG2-CG2 3.38Å; V591-Y731 HydrophobicContact CB-CD1 4.32Å; V591-Y731 HydrophobicContact CB-CE1 4.31Å; V591-Y731 HydrophobicContact CB-CG 4.41Å; V591-Y731 HydrophobicContact CG1-CD1 4.19Å; V591-Y731 HydrophobicContact CG1-CD2 4.33Å; V591-Y731 HydrophobicContact CG1-CG 3.98Å; V591-Y731 HydrophobicContact CG2-CD1 4.48Å; V591-Y731 HydrophobicContact CG2-CD2 3.96Å; V591-Y731 HydrophobicContact CG2-CE1 4.27Å; V591-Y731 HydrophobicContact CG2-CE2 3.73Å; V591-Y731 HydrophobicContact CG2-CG 4.32Å; V591-F739 HydrophobicContact CB-CZ 4.43Å; V591-F739 HydrophobicContact CG1-CE2 4.11Å; V591-F739 HydrophobicContact CG1-CZ 4.03Å; V591-P741 HydrophobicContact CG1-CB 3.62Å; V591-W799 HydrophobicContact CG1-CZ3 4.36Å
592	S	96.1	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.8	177	177.6	0	0	0	0	110.8	M590 S594 E636 P741 T742 G743	M590-S592 PolarHBondContact O-N 3.37Å; S592-S594 PolarHBondContact OG-O 3.14Å; S592-S594 VanDerWaalsContact OG-O 3.12Å; S592-E636 PolarHBondContact OG-OE1 3.25Å; S592-P741 CarbonylContact O-C 3.43Å; S592-P741 WeakPolarHBondContact O-CA 3.19Å; S592-T742 WeakPolarHBondContact CB-OG1 3.4Å; S592-T742 PolarHBondContact O-N 2.73Å; S592-T742 PolarHBondContact OG-OG1 3.1Å; S592-G743 WeakPolarHBondContact CB-O 3.42Å; S592-G743 PolarHBondContact N-O 3.05Å
593	G	94.4	Very high	95.5	Very high	14 Å²	14	22.6 Å²	22.6	14%	0.144	12%	0.116	C	C	.	.			trans	-125	-8.1	176.7	0	0	0	0	0	113.8	E636 F739	G593-E636 PolarHBondContact N-OE2 2.73Å; G593-F739 VanDerWaalsContact CA-CE2 3.49Å
594	S	94.9	Very high	95.5	Very high	40 Å²	40	22.7 Å²	22.7	28%	0.28	12%	0.115	S	C	.	.	S	Bend	trans	-161.8	-178.8	179.9	-163.6	0	0	0	0	110	S592 E636 I637	S592-S594 PolarHBondContact OG-O 3.14Å; S592-S594 VanDerWaalsContact OG-O 3.12Å; S594-E636 PolarHBondContact N-OE2 3.05Å; S594-I637 WeakPolarHBondContact CB-O 3.49Å; S594-I637 PolarHBondContact OG-O 2.97Å; S594-I637 VanDerWaalsContact OG-O 3.1Å
595	E	92.8	Very high	95.5	Very high	143 Å²	143	25.5 Å²	25.5	67%	0.668	14%	0.135	S	C	*	.			trans	-74.1	142.2	171.6	-65.7	-169.3	167.7	0	0	111.4
596	Q	95.1	Very high	95.5	Very high	27 Å²	27	28.5 Å²	28.5	13%	0.126	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.6	174.7	176.1	-173.6	5.3	0	0	111	S634 V635 L657 H791 R794	Q596-S634 PolarHBondContact NE2-OG 3.02Å; Q596-V635 CarbonylContact C-O 3.55Å; Q596-V635 WeakPolarHBondContact CA-O 3.44Å; Q596-L657 HydrophobicContact CB-CD1 3.97Å; Q596-L657 HydrophobicContact CG-CD1 3.81Å; Q596-H791 PolarHBondContact NE2-CE1 2.83Å; Q596-H791 PolarHBondContact NE2-ND1 2.9Å; Q596-R794 VanDerWaalsContact OE1-CZ 3.26Å
597	K	95.9	Very high	95.6	Very high	48 Å²	48	28.6 Å²	28.6	21%	0.209	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.5	173	-56.9	-176.2	175.9	-95.3	0	110.5	D611 V635	K597-D611 WeakPolarHBondContact CG-OD1 3.29Å; K597-D611 IonicContact NZ-OD1 2.7Å; K597-D611 PolarHBondContact NZ-OD1 3.26Å; K597-D611 IonicContact NZ-OD2 3.58Å; K597-V635 HydrophobicContact CB-CG2 4.5Å; K597-V635 PolarHBondContact N-O 3.27Å; K597-V635 PolarHBondContact O-N 3.18Å
598	F	97.4	Very high	95.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.3	162.9	-68.6	-77	0	0	0	109.6	F566 T609 W610 W618 L633 L660 F787 H791	F566-F598 HydrophobicContact CB-CD2 4.44Å; F566-F598 HydrophobicContact CB-CE2 3.81Å; F566-F598 HydrophobicContact CB-CZ 4.07Å; F566-F598 AromaticContact CD1-CD1 3.98Å; F566-F598 HydrophobicContact CD1-CD1 3.98Å; F566-F598 HydrophobicContact CD1-CD2 4.27Å; F566-F598 AromaticContact CD1-CE1 3.54Å; F566-F598 HydrophobicContact CD1-CE1 3.54Å; F566-F598 AromaticContact CD1-CE2 3.87Å; F566-F598 HydrophobicContact CD1-CE2 3.87Å; F566-F598 HydrophobicContact CD1-CG 4.31Å; F566-F598 AromaticContact CD1-CZ 3.48Å; F566-F598 HydrophobicContact CD1-CZ 3.48Å; F566-F598 VanDerWaalsContact CD1-CZ 3.48Å; F566-F598 HydrophobicContact CE1-CD1 4.4Å; F566-F598 HydrophobicContact CE1-CE1 4.04Å; F566-F598 HydrophobicContact CE1-CZ 4.38Å; F566-F598 HydrophobicContact CG-CE2 4.35Å; F566-F598 HydrophobicContact CG-CZ 4.21Å; F566-F598 WeakPolarHBondContact O-CE2 3.35Å; F598-T609 CarbonylContact O-C 3.53Å; F598-T609 WeakPolarHBondContact O-CA 3.39Å; F598-W610 HydrophobicContact CB-CE3 4.27Å; F598-W610 AromaticContact CD2-CE3 4Å; F598-W610 HydrophobicContact CD2-CE3 4Å; F598-W610 HydrophobicContact CD2-CZ3 4.22Å; F598-W610 HydrophobicContact CG-CE3 4.41Å; F598-W610 PolarHBondContact N-O 3.44Å; F598-W610 PolarHBondContact O-N 3.24Å; F598-W618 HydrophobicContact CB-CH2 4.18Å; F598-L633 CarbonylContact C-O 3.5Å; F598-L633 WeakPolarHBondContact CA-O 3.34Å; F598-L660 HydrophobicContact CE1-CD2 4.37Å; F598-F787 AromaticContact CE1-CZ 3.79Å; F598-F787 HydrophobicContact CE1-CZ 3.79Å; F598-F787 HydrophobicContact CZ-CZ 4.14Å; F598-H791 AromaticContact CZ-CE1 3.63Å
599	L	98.1	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.3	179.7	-176.9	155.1	0	0	0	109.7	I607 Y608 T609 L621 L627 L632 L633 V635 I654	L599-I607 HydrophobicContact CD1-CG2 3.82Å; L599-I607 HydrophobicContact CD2-CG2 3.7Å; L599-I607 HydrophobicContact CG-CG2 3.68Å; L599-Y608 CarbonylContact C-O 3.43Å; L599-Y608 VanDerWaalsContact CA-O 3.32Å; L599-Y608 WeakPolarHBondContact CA-O 3.49Å; L599-T609 HydrophobicContact CB-CG2 4.4Å; L599-T609 HydrophobicContact CD1-CG2 4.38Å; L599-T609 HydrophobicContact CG-CG2 4.4Å; L599-L621 HydrophobicContact CD1-CD2 3.92Å; L599-L627 HydrophobicContact CD2-CD1 3.38Å; L599-L632 WeakPolarHBondContact O-CA 3.49Å; L599-L633 HydrophobicContact CB-CB 4.47Å; L599-L633 HydrophobicContact CD2-CD1 4.33Å; L599-L633 PolarHBondContact N-O 3.21Å; L599-L633 PolarHBondContact O-N 2.83Å; L599-V635 HydrophobicContact CB-CG1 4.04Å; L599-V635 HydrophobicContact CB-CG2 3.67Å; L599-V635 HydrophobicContact CD1-CG1 4.43Å; L599-V635 HydrophobicContact CD1-CG2 4.03Å; L599-I654 HydrophobicContact CD1-CD1 3.85Å; L599-I654 HydrophobicContact CD1-CG1 4.4Å; L599-I654 HydrophobicContact CD1-CG2 4.05Å
600	L	97.9	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.4	178.5	-179.8	66.3	0	0	0	110	P550 K553 F554 L557 L602 I607 Y608 W618 T631 L632	P550-L600 HydrophobicContact CB-CD2 4.04Å; P550-L600 WeakPolarHBondContact O-CD2 3.39Å; K553-L600 HydrophobicContact CB-CD2 4.44Å; F554-L600 HydrophobicContact CB-CD2 4.33Å; L557-L600 HydrophobicContact CD1-CD1 3.58Å; L600-L602 HydrophobicContact CD1-CD2 4.35Å; L600-L602 HydrophobicContact CD2-CD2 3.94Å; L600-L602 HydrophobicContact CG-CD2 3.91Å; L600-L602 HydrophobicContact CG-CG 4.43Å; L600-I607 WeakPolarHBondContact O-CA 3.42Å; L600-Y608 PolarHBondContact N-O 3.43Å; L600-Y608 PolarHBondContact O-N 2.95Å; L600-W618 HydrophobicContact CB-CE3 4.03Å; L600-W618 HydrophobicContact CB-CH2 3.81Å; L600-W618 HydrophobicContact CB-CZ3 3.45Å; L600-W618 VanDerWaalsContact CB-CZ3 3.45Å; L600-T631 CarbonylContact C-O 3.56Å; L600-T631 WeakPolarHBondContact CA-O 3.4Å; L600-L632 HydrophobicContact CD1-CD1 4.46Å
601	G	96.7	Very high	95.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122	172.2	0	0	0	0	0	111.1	R629 D630 T631	G601-R629 CarbonylContact O-C 3.48Å; G601-D630 PolarHBondContact O-N 3.33Å; G601-D630 VanDerWaalsContact O-N 3.08Å; G601-T631 PolarHBondContact N-O 3.24Å; G601-T631 PolarHBondContact O-N 3.2Å
602	L	95.1	Very high	94.8	Very high	36 Å²	36	31.4 Å²	31.4	19%	0.188	16%	0.164	C	C	.	.			trans	-103.1	14.2	174.8	-57.5	-173.8	0	0	0	112.4	S548 P550 K553 L600 Q606 Y608	S548-L602 WeakPolarHBondContact O-CD1 3.39Å; P550-L602 HydrophobicContact CG-CD1 4.07Å; K553-L602 HydrophobicContact CB-CD2 3.94Å; K553-L602 HydrophobicContact CG-CD2 3.57Å; L600-L602 HydrophobicContact CD1-CD2 4.35Å; L600-L602 HydrophobicContact CD2-CD2 3.94Å; L600-L602 HydrophobicContact CG-CD2 3.91Å; L600-L602 HydrophobicContact CG-CG 4.43Å; L602-Q606 HydrophobicContact CB-CB 3.98Å; L602-Q606 PolarHBondContact N-O 2.97Å; L602-Y608 HydrophobicContact CD1-CD2 4.1Å; L602-Y608 HydrophobicContact CD1-CE2 3.81Å; L602-Y608 HydrophobicContact CG-CD2 4.33Å; L602-Y608 HydrophobicContact CG-CE2 4.36Å
603	G	92.6	Very high	94.2	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	100.3	146.3	-175.5	0	0	0	0	0	112.2	S605 Q606 L627	G603-S605 PolarHBondContact O-N 2.64Å; G603-Q606 WeakPolarHBondContact O-CB 3.32Å; G603-Q606 PolarHBondContact O-N 2.94Å; G603-L627 CarbonylContact C-O 3.49Å; G603-L627 WeakPolarHBondContact CA-O 3.48Å; G603-L627 PolarHBondContact N-O 3.43Å
604	K	91.3	Very high	93.5	Very high	87 Å²	87	43 Å²	43	38%	0.378	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-130.3	178	-55.6	175.2	-177.7	170.6	0	109.8	E307 E315 Q606 E626 L627	E307-K604 VanDerWaalsContact CA-NZ 3.31Å; E307-K604 PolarHBondContact O-NZ 2.67Å; E307-K604 VanDerWaalsContact O-NZ 3.13Å; E315-K604 VanDerWaalsContact OE1-CA 3.23Å; E315-K604 WeakPolarHBondContact OE1-CA 3.24Å; E315-K604 WeakPolarHBondContact OE1-CG 3.47Å; E315-K604 PolarHBondContact OE1-N 3.05Å; K604-Q606 VanDerWaalsContact C-N 3.32Å; K604-Q606 PolarHBondContact O-N 3.26Å; K604-E626 VanDerWaalsContact O-CA 3.26Å; K604-E626 WeakPolarHBondContact O-CA 3.45Å; K604-L627 PolarHBondContact N-O 3.03Å; K604-L627 PolarHBondContact O-N 3.3Å
605	S	92.4	Very high	92.7	Very high	63 Å²	63	45.8 Å²	45.8	44%	0.441	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.9	178.2	60.2	0	0	0	0	114.5	G603 I607	G603-S605 PolarHBondContact O-N 2.64Å; S605-I607 VanDerWaalsContact C-N 3.31Å; S605-I607 PolarHBondContact O-N 3.31Å
606	Q	94.7	Very high	92.3	Very high	71 Å²	71	41.5 Å²	41.5	33%	0.332	21%	0.209	S	C	.	.			trans	-83.5	80.3	177.4	-57.5	-53	-49	0	0	109.8	L602 G603 K604 Y608	L602-Q606 HydrophobicContact CB-CB 3.98Å; L602-Q606 PolarHBondContact N-O 2.97Å; G603-Q606 WeakPolarHBondContact O-CB 3.32Å; G603-Q606 PolarHBondContact O-N 2.94Å; K604-Q606 VanDerWaalsContact C-N 3.32Å; K604-Q606 PolarHBondContact O-N 3.26Å; Q606-Y608 HydrophobicContact CB-CE2 4.16Å; Q606-Y608 PolarHBondContact OE1-OH 2.86Å
607	I	97	Very high	92.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	-177.3	-57.7	169.7	0	0	0	108.8	L599 L600 S605 L621 T625 L627	L599-I607 HydrophobicContact CD1-CG2 3.82Å; L599-I607 HydrophobicContact CD2-CG2 3.7Å; L599-I607 HydrophobicContact CG-CG2 3.68Å; L600-I607 WeakPolarHBondContact O-CA 3.42Å; S605-I607 VanDerWaalsContact C-N 3.31Å; S605-I607 PolarHBondContact O-N 3.31Å; I607-L621 HydrophobicContact CB-CB 4.31Å; I607-L621 HydrophobicContact CG2-CB 4.06Å; I607-L621 HydrophobicContact CG2-CD2 3.78Å; I607-L621 PolarHBondContact O-N 3.21Å; I607-T625 HydrophobicContact CD1-CG2 3.45Å; I607-T625 VanDerWaalsContact CD1-CG2 3.45Å; I607-L627 HydrophobicContact CD1-CB 4.09Å; I607-L627 HydrophobicContact CD1-CD1 3.98Å; I607-L627 HydrophobicContact CD1-CG 4.04Å; I607-L627 HydrophobicContact CG1-CB 4.26Å; I607-L627 HydrophobicContact CG1-CD1 4.31Å; I607-L627 HydrophobicContact CG2-CD1 4.39Å
608	Y	97.5	Very high	92	Very high	44 Å²	44	50.1 Å²	50.1	17%	0.173	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.1	-176.4	-62.4	-98	0	0	0	111.2	P550 L599 L600 L602 Q606 T619 K620	P550-Y608 HydrophobicContact CB-CD1 4.37Å; P550-Y608 HydrophobicContact CB-CD2 4.36Å; P550-Y608 HydrophobicContact CB-CG 4.14Å; P550-Y608 HydrophobicContact CG-CD1 3.68Å; P550-Y608 HydrophobicContact CG-CD2 3.81Å; P550-Y608 HydrophobicContact CG-CE1 3.7Å; P550-Y608 HydrophobicContact CG-CE2 3.85Å; P550-Y608 HydrophobicContact CG-CG 3.74Å; L599-Y608 CarbonylContact C-O 3.43Å; L599-Y608 VanDerWaalsContact CA-O 3.32Å; L599-Y608 WeakPolarHBondContact CA-O 3.49Å; L600-Y608 PolarHBondContact N-O 3.43Å; L600-Y608 PolarHBondContact O-N 2.95Å; L602-Y608 HydrophobicContact CD1-CD2 4.1Å; L602-Y608 HydrophobicContact CD1-CE2 3.81Å; L602-Y608 HydrophobicContact CG-CD2 4.33Å; L602-Y608 HydrophobicContact CG-CE2 4.36Å; Q606-Y608 HydrophobicContact CB-CE2 4.16Å; Q606-Y608 PolarHBondContact OE1-OH 2.86Å; Y608-T619 CarbonylContact C-O 3.6Å; Y608-T619 WeakPolarHBondContact CA-O 3.37Å; Y608-K620 HydrophobicContact CD1-CB 4.09Å; Y608-K620 HydrophobicContact CE1-CB 3.89Å; Y608-K620 HydrophobicContact CE1-CG 4.36Å
609	T	97.3	Very high	92	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.6	175.8	54.1	0	0	0	0	112.5	F598 L599 T619 L621	F598-T609 CarbonylContact O-C 3.53Å; F598-T609 WeakPolarHBondContact O-CA 3.39Å; L599-T609 HydrophobicContact CB-CG2 4.4Å; L599-T609 HydrophobicContact CD1-CG2 4.38Å; L599-T609 HydrophobicContact CG-CG2 4.4Å; T609-T619 PolarHBondContact N-O 2.55Å; T609-T619 PolarHBondContact O-N 2.73Å; T609-T619 PolarHBondContact O-OG1 2.69Å; T609-T619 PolarHBondContact OG1-OG1 3.15Å; T609-T619 VanDerWaalsContact OG1-OG1 3.1Å; T609-L621 HydrophobicContact CG2-CB 4.41Å; T609-L621 HydrophobicContact CG2-CD1 4.27Å; T609-L621 HydrophobicContact CG2-CD2 4.45Å
610	W	95.9	Very high	91.9	Very high	8 Å²	8	58.8 Å²	58.8	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140	177.7	175	60.4	0	0	0	111	F554 I563 F566 F598 G612 R613 D616 W618	F554-W610 HydrophobicContact CE1-CZ3 4.14Å; F554-W610 HydrophobicContact CE2-CZ3 4.4Å; F554-W610 HydrophobicContact CZ-CE3 4.41Å; F554-W610 AromaticContact CZ-CZ3 3.77Å; F554-W610 HydrophobicContact CZ-CZ3 3.77Å; I563-W610 HydrophobicContact CD1-CH2 4.19Å; I563-W610 HydrophobicContact CG1-CH2 4.02Å; F566-W610 HydrophobicContact CB-CH2 3.82Å; F566-W610 HydrophobicContact CB-CZ3 3.59Å; F566-W610 HydrophobicContact CD1-CZ3 4.45Å; F566-W610 HydrophobicContact CG-CZ3 4.16Å; F598-W610 HydrophobicContact CB-CE3 4.27Å; F598-W610 AromaticContact CD2-CE3 4Å; F598-W610 HydrophobicContact CD2-CE3 4Å; F598-W610 HydrophobicContact CD2-CZ3 4.22Å; F598-W610 HydrophobicContact CG-CE3 4.41Å; F598-W610 PolarHBondContact N-O 3.44Å; F598-W610 PolarHBondContact O-N 3.24Å; W610-G612 VanDerWaalsContact C-N 3.3Å; W610-G612 WeakPolarHBondContact CH2-O 3.46Å; W610-G612 VanDerWaalsContact CZ2-CA 3.49Å; W610-G612 VanDerWaalsContact CZ2-O 3.28Å; W610-G612 WeakPolarHBondContact CZ2-O 3.48Å; W610-G612 PolarHBondContact O-N 3.3Å; W610-R613 WeakPolarHBondContact CZ2-O 3.13Å; W610-R613 PolarHBondContact NE1-O 2.73Å; W610-D616 PolarHBondContact NE1-O 2.76Å; W610-W618 HydrophobicContact CB-CD2 3.68Å; W610-W618 HydrophobicContact CB-CE3 3.59Å; W610-W618 HydrophobicContact CB-CG 4.37Å; W610-W618 HydrophobicContact CB-CH2 3.82Å; W610-W618 HydrophobicContact CB-CZ2 3.88Å; W610-W618 HydrophobicContact CB-CZ3 3.67Å; W610-W618 HydrophobicContact CD2-CZ2 4.26Å; W610-W618 HydrophobicContact CE3-CH2 4.35Å; W610-W618 AromaticContact CE3-CZ2 3.94Å; W610-W618 HydrophobicContact CE3-CZ2 3.94Å; W610-W618 HydrophobicContact CG-CD2 4.39Å; W610-W618 HydrophobicContact CG-CZ2 4.28Å
611	D	91.1	Very high	91.8	Very high	53 Å²	53	59.9 Å²	59.9	28%	0.283	29%	0.289	S	S	.	.			trans	-88.6	6.3	-172.5	-64.7	-31	0	0	0	113.8	K597	K597-D611 WeakPolarHBondContact CG-OD1 3.29Å; K597-D611 IonicContact NZ-OD1 2.7Å; K597-D611 PolarHBondContact NZ-OD1 3.26Å; K597-D611 IonicContact NZ-OD2 3.58Å
612	G	86.4	Confident	91.6	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	33%	0.33	C	S	.	.	S	Bend	trans	87	-5.9	176.6	0	0	0	0	0	115.2	F566 S567 W610	F566-G612 WeakPolarHBondContact O-CA 3.46Å; S567-G612 WeakPolarHBondContact CA-O 3.46Å; S567-G612 VanDerWaalsContact CB-O 3.27Å; S567-G612 WeakPolarHBondContact CB-O 3.39Å; W610-G612 VanDerWaalsContact C-N 3.3Å; W610-G612 WeakPolarHBondContact CH2-O 3.46Å; W610-G612 VanDerWaalsContact CZ2-CA 3.49Å; W610-G612 VanDerWaalsContact CZ2-O 3.28Å; W610-G612 WeakPolarHBondContact CZ2-O 3.48Å; W610-G612 PolarHBondContact O-N 3.3Å
613	R	84.6	Confident	91.6	Very high	141 Å²	141	67.2 Å²	67.2	53%	0.532	33%	0.328	S	S	.	.			trans	-87.4	132.5	178.3	-42.8	-179.4	-174.9	-154.6	-1.9	110.3	W610 S615 D616	W610-R613 WeakPolarHBondContact CZ2-O 3.13Å; W610-R613 PolarHBondContact NE1-O 2.73Å; R613-S615 PolarHBondContact O-N 2.78Å; R613-S615 VanDerWaalsContact O-N 3.12Å; R613-D616 HydrophobicContact CB-CB 4.38Å; R613-D616 VanDerWaalsContact CB-OD2 3.29Å; R613-D616 WeakPolarHBondContact CB-OD2 3.26Å; R613-D616 WeakPolarHBondContact CD-OD2 3.31Å; R613-D616 VanDerWaalsContact CG-OD2 3.3Å; R613-D616 WeakPolarHBondContact CG-OD2 3.21Å; R613-D616 WeakPolarHBondContact O-CB 3.49Å; R613-D616 PolarHBondContact O-N 3.35Å
614	Q	78.1	Confident	91.7	Very high	117 Å²	117	72.2 Å²	72.2	55%	0.547	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-178.5	-64.5	-171.4	4.7	0	0	113.7	I563 D564 D616	I563-Q614 HydrophobicContact CD1-CG 4.44Å; I563-Q614 HydrophobicContact CG2-CG 4.42Å; D564-Q614 PolarHBondContact OD1-NE2 2.7Å; Q614-D616 VanDerWaalsContact C-N 3.27Å; Q614-D616 PolarHBondContact O-N 3.33Å
615	S	78.7	Confident	91.8	Very high	98 Å²	98	68.5 Å²	68.5	69%	0.685	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25	175	52.9	0	0	0	0	113.7	R613	R613-S615 PolarHBondContact O-N 2.78Å; R613-S615 VanDerWaalsContact O-N 3.12Å
616	D	83.9	Confident	91.9	Very high	52 Å²	52	68.2 Å²	68.2	28%	0.278	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-84.4	145.3	-168.3	-60.2	-7.1	0	0	0	110.3	W610 R613 Q614	W610-D616 PolarHBondContact NE1-O 2.76Å; R613-D616 HydrophobicContact CB-CB 4.38Å; R613-D616 VanDerWaalsContact CB-OD2 3.29Å; R613-D616 WeakPolarHBondContact CB-OD2 3.26Å; R613-D616 WeakPolarHBondContact CD-OD2 3.31Å; R613-D616 VanDerWaalsContact CG-OD2 3.3Å; R613-D616 WeakPolarHBondContact CG-OD2 3.21Å; R613-D616 WeakPolarHBondContact O-CB 3.49Å; R613-D616 PolarHBondContact O-N 3.35Å; Q614-D616 VanDerWaalsContact C-N 3.27Å; Q614-D616 PolarHBondContact O-N 3.33Å
617	R	90.7	Very high	92	Very high	219 Å²	219	64.8 Å²	64.8	83%	0.826	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-90.7	151.3	176.7	-61.5	-177.7	-177.6	-177.4	0.1	109.9	T619	R617-T619 PolarHBondContact O-N 3.3Å
618	W	95.1	Very high	91.9	Very high	37 Å²	37	64.7 Å²	64.7	14%	0.14	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.6	129.6	165	-73.5	91.6	0	0	0	109.5	P550 F554 F598 L600 W610 L632	P550-W618 HydrophobicContact CB-CB 3.7Å; P550-W618 HydrophobicContact CB-CD2 4.24Å; P550-W618 HydrophobicContact CB-CG 3.73Å; P550-W618 HydrophobicContact CG-CB 4.37Å; F554-W618 HydrophobicContact CB-CZ2 3.77Å; F554-W618 HydrophobicContact CD1-CZ2 4.27Å; F554-W618 AromaticContact CD2-CH2 3.99Å; F554-W618 HydrophobicContact CD2-CH2 3.99Å; F554-W618 AromaticContact CD2-CZ2 3.48Å; F554-W618 HydrophobicContact CD2-CZ2 3.48Å; F554-W618 VanDerWaalsContact CD2-CZ2 3.48Å; F554-W618 HydrophobicContact CE2-CH2 4.48Å; F554-W618 HydrophobicContact CE2-CZ2 4.08Å; F554-W618 HydrophobicContact CG-CH2 4.48Å; F554-W618 AromaticContact CG-CZ2 3.58Å; F554-W618 HydrophobicContact CG-CZ2 3.58Å; F598-W618 HydrophobicContact CB-CH2 4.18Å; L600-W618 HydrophobicContact CB-CE3 4.03Å; L600-W618 HydrophobicContact CB-CH2 3.81Å; L600-W618 HydrophobicContact CB-CZ3 3.45Å; L600-W618 VanDerWaalsContact CB-CZ3 3.45Å; W610-W618 HydrophobicContact CB-CD2 3.68Å; W610-W618 HydrophobicContact CB-CE3 3.59Å; W610-W618 HydrophobicContact CB-CG 4.37Å; W610-W618 HydrophobicContact CB-CH2 3.82Å; W610-W618 HydrophobicContact CB-CZ2 3.88Å; W610-W618 HydrophobicContact CB-CZ3 3.67Å; W610-W618 HydrophobicContact CD2-CZ2 4.26Å; W610-W618 HydrophobicContact CE3-CH2 4.35Å; W610-W618 AromaticContact CE3-CZ2 3.94Å; W610-W618 HydrophobicContact CE3-CZ2 3.94Å; W610-W618 HydrophobicContact CG-CD2 4.39Å; W610-W618 HydrophobicContact CG-CZ2 4.28Å; W618-L632 HydrophobicContact CH2-CD1 4.3Å
619	T	96	Very high	91.7	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.442	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	-177.4	49.6	0	0	0	0	109.5	Y608 T609 R617 L621	Y608-T619 CarbonylContact C-O 3.6Å; Y608-T619 WeakPolarHBondContact CA-O 3.37Å; T609-T619 PolarHBondContact N-O 2.55Å; T609-T619 PolarHBondContact O-N 2.73Å; T609-T619 PolarHBondContact O-OG1 2.69Å; T609-T619 PolarHBondContact OG1-OG1 3.15Å; T609-T619 VanDerWaalsContact OG1-OG1 3.1Å; R617-T619 PolarHBondContact O-N 3.3Å; T619-L621 PolarHBondContact O-N 3.21Å
620	K	96.3	Very high	91.6	Very high	114 Å²	114	66.9 Å²	66.9	50%	0.496	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.4	178	-173	166.8	179.6	160.4	0	109.8	Y608	Y608-K620 HydrophobicContact CD1-CB 4.09Å; Y608-K620 HydrophobicContact CE1-CB 3.89Å; Y608-K620 HydrophobicContact CE1-CG 4.36Å
621	L	95.7	Very high	91.7	Very high	23 Å²	23	66.5 Å²	66.5	12%	0.12	32%	0.315	C	S	.	.			trans	-80.4	121.5	178.8	-177.5	61.8	0	0	0	110.1	L599 I607 T609 T619 L623 I637 I654	L599-L621 HydrophobicContact CD1-CD2 3.92Å; I607-L621 HydrophobicContact CB-CB 4.31Å; I607-L621 HydrophobicContact CG2-CB 4.06Å; I607-L621 HydrophobicContact CG2-CD2 3.78Å; I607-L621 PolarHBondContact O-N 3.21Å; T609-L621 HydrophobicContact CG2-CB 4.41Å; T609-L621 HydrophobicContact CG2-CD1 4.27Å; T609-L621 HydrophobicContact CG2-CD2 4.45Å; T619-L621 PolarHBondContact O-N 3.21Å; L621-L623 VanDerWaalsContact C-N 3.33Å; L621-L623 HydrophobicContact CD1-CD1 4.1Å; L621-L623 HydrophobicContact CD1-CG 4.05Å; L621-L623 HydrophobicContact CD2-CB 4.45Å; L621-L623 HydrophobicContact CD2-CD1 4.04Å; L621-L623 HydrophobicContact CD2-CG 4.37Å; L621-L623 HydrophobicContact CG-CB 4.19Å; L621-L623 HydrophobicContact CG-CD1 4.16Å; L621-L623 HydrophobicContact CG-CG 4Å; L621-L623 PolarHBondContact O-N 2.84Å; L621-I637 HydrophobicContact CD1-CD1 4.08Å; L621-I637 HydrophobicContact CD1-CG1 4.35Å; L621-I637 HydrophobicContact CD2-CD1 4.28Å; L621-I654 HydrophobicContact CD2-CD1 3.77Å; L621-I654 HydrophobicContact CD2-CG1 4.27Å
622	D	93.7	Very high	92.1	Very high	162 Å²	162	64 Å²	64	87%	0.866	30%	0.302	S	S	*	.			trans	-89.6	67.2	177.2	-170.5	27.8	0	0	0	111.1
623	L	94.3	Very high	92.6	Very high	28 Å²	28	63.9 Å²	63.9	15%	0.147	30%	0.301	C	S	.	.	S	Bend	trans	-131.6	143.9	171.3	-66	-178.3	0	0	0	109.3	L621 T625 I637 I654 N695	L621-L623 VanDerWaalsContact C-N 3.33Å; L621-L623 HydrophobicContact CD1-CD1 4.1Å; L621-L623 HydrophobicContact CD1-CG 4.05Å; L621-L623 HydrophobicContact CD2-CB 4.45Å; L621-L623 HydrophobicContact CD2-CD1 4.04Å; L621-L623 HydrophobicContact CD2-CG 4.37Å; L621-L623 HydrophobicContact CG-CB 4.19Å; L621-L623 HydrophobicContact CG-CD1 4.16Å; L621-L623 HydrophobicContact CG-CG 4Å; L621-L623 PolarHBondContact O-N 2.84Å; L623-T625 VanDerWaalsContact C-N 3.25Å; L623-T625 HydrophobicContact CB-CG2 4.25Å; L623-T625 PolarHBondContact O-N 3.05Å; L623-I637 HydrophobicContact CD1-CD1 4.45Å; L623-I637 HydrophobicContact CD1-CG2 4.33Å; L623-I654 HydrophobicContact CD1-CD1 4.38Å; L623-I654 HydrophobicContact CD1-CG1 3.93Å; L623-N695 HydrophobicContact CB-CB 4.07Å; L623-N695 HydrophobicContact CD1-CB 4.45Å; L623-N695 HydrophobicContact CD2-CB 4.47Å
624	K	94.2	Very high	93.3	Very high	116 Å²	116	57.3 Å²	57.3	50%	0.504	28%	0.277	S	S	.	.	S	Bend	trans	-78.9	78	175.7	-165.6	177.7	-168	179.8	0	109.4	D693 M694 N695	K624-D693 WeakPolarHBondContact CD-OD2 3.44Å; K624-D693 WeakPolarHBondContact CE-OD2 3.49Å; K624-D693 IonicContact NZ-OD2 2.63Å; K624-D693 PolarHBondContact NZ-OD2 3.41Å; K624-M694 HydrophobicContact CG-CG 4.48Å; K624-M694 CarbonylContact O-C 3.57Å; K624-M694 WeakPolarHBondContact O-CA 3.46Å; K624-M694 WeakPolarHBondContact O-CB 3.42Å; K624-N695 PolarHBondContact N-OD1 3.44Å; K624-N695 PolarHBondContact O-N 2.67Å
625	T	94.4	Very high	94.2	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.049	25%	0.251	C	S	.	.			trans	-145.9	162.9	-178.9	-160.6	0	0	0	0	110.3	I607 L623 I654 N695	I607-T625 HydrophobicContact CD1-CG2 3.45Å; I607-T625 VanDerWaalsContact CD1-CG2 3.45Å; L623-T625 VanDerWaalsContact C-N 3.25Å; L623-T625 HydrophobicContact CB-CG2 4.25Å; L623-T625 PolarHBondContact O-N 3.05Å; T625-I654 HydrophobicContact CG2-CD1 3.75Å; T625-N695 PolarHBondContact OG1-O 3.25Å
626	E	94.6	Very high	95.1	Very high	57 Å²	57	47.1 Å²	47.1	27%	0.266	22%	0.218	S	C	.	.			trans	-133	141	-176.3	-67.4	175	-177.4	0	0	110.2	E315 K604 K688 M694	E315-E626 HydrophobicContact CG-CB 3.86Å; K604-E626 VanDerWaalsContact O-CA 3.26Å; K604-E626 WeakPolarHBondContact O-CA 3.45Å; E626-K688 IonicContact OE2-NZ 3.69Å; E626-K688 PolarHBondContact OE2-NZ 3.13Å; E626-M694 HydrophobicContact CB-CE 4.06Å; E626-M694 HydrophobicContact CG-CE 3.89Å
627	L	95.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.			trans	-138.6	139	177.5	-80.2	173.1	0	0	0	111	L599 G603 K604 I607 F682 V686 I697	L599-L627 HydrophobicContact CD2-CD1 3.38Å; G603-L627 CarbonylContact C-O 3.49Å; G603-L627 WeakPolarHBondContact CA-O 3.48Å; G603-L627 PolarHBondContact N-O 3.43Å; K604-L627 PolarHBondContact N-O 3.03Å; K604-L627 PolarHBondContact O-N 3.3Å; I607-L627 HydrophobicContact CD1-CB 4.09Å; I607-L627 HydrophobicContact CD1-CD1 3.98Å; I607-L627 HydrophobicContact CD1-CG 4.04Å; I607-L627 HydrophobicContact CG1-CB 4.26Å; I607-L627 HydrophobicContact CG1-CD1 4.31Å; I607-L627 HydrophobicContact CG2-CD1 4.39Å; L627-F682 HydrophobicContact CD2-CE1 3.75Å; L627-F682 HydrophobicContact CD2-CZ 4.14Å; L627-V686 HydrophobicContact CD2-CG2 4.44Å; L627-I697 HydrophobicContact CD1-CD1 4.32Å; L627-I697 HydrophobicContact CD2-CD1 3.54Å; L627-I697 HydrophobicContact CG-CD1 3.89Å
628	P	95.8	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.			trans	-50.3	146.1	169.2	-28.6	34.8	0	0	0	112.3	E315 L316 T631 N663 F682 V686	E315-P628 HydrophobicContact CB-CG 4.17Å; L316-P628 HydrophobicContact CD2-CG 4.11Å; L316-P628 HydrophobicContact CG-CG 4.41Å; P628-T631 WeakPolarHBondContact O-CB 3.5Å; P628-T631 PolarHBondContact O-OG1 2.99Å; P628-N663 HydrophobicContact CB-CB 4.16Å; P628-F682 HydrophobicContact CB-CZ 4.49Å; P628-F682 HydrophobicContact CG-CE2 3.99Å; P628-F682 HydrophobicContact CG-CZ 3.94Å; P628-V686 HydrophobicContact CG-CG1 3.75Å
629	R	93.9	Very high	95.9	Very high	61 Å²	61	38.1 Å²	38.1	23%	0.23	19%	0.186	C	C	.	.	S	Bend	trans	-56.5	159.9	170.3	71.9	-173.5	86.6	167.1	8.1	111.2	F309 Y310 A312 G601 T631 N663	F309-R629 PolarHBondContact O-NH2 2.73Å; Y310-R629 PolarHBondContact O-NH1 3.08Å; Y310-R629 PolarHBondContact O-NH2 3.22Å; A312-R629 PolarHBondContact O-NH2 3.04Å; G601-R629 CarbonylContact O-C 3.48Å; R629-T631 VanDerWaalsContact C-N 3.28Å; R629-T631 PolarHBondContact O-N 2.77Å; R629-N663 WeakPolarHBondContact O-CA 3.18Å; R629-N663 PolarHBondContact O-ND2 2.94Å
630	D	95.5	Very high	95.8	Very high	37 Å²	37	35 Å²	35	20%	0.198	17%	0.167	C	C	.	.	S	Bend	trans	60	37.7	177	-50.5	-29.7	0	0	0	112.8	K553 L557 G601 V661 N663 G664	K553-D630 WeakPolarHBondContact CE-OD1 3.38Å; K553-D630 IonicContact NZ-OD1 3.5Å; K553-D630 PolarHBondContact NZ-OD1 3.06Å; L557-D630 HydrophobicContact CD2-CB 4.05Å; G601-D630 PolarHBondContact O-N 3.33Å; G601-D630 VanDerWaalsContact O-N 3.08Å; D630-V661 WeakPolarHBondContact O-CG1 3.26Å; D630-N663 PolarHBondContact O-N 2.95Å; D630-G664 VanDerWaalsContact CB-N 3.3Å; D630-G664 PolarHBondContact O-N 3.16Å
631	T	97.7	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	-179.6	-60.6	0	0	0	0	110	L600 G601 P628 R629 L633 V661 L662 F682	L600-T631 CarbonylContact C-O 3.56Å; L600-T631 WeakPolarHBondContact CA-O 3.4Å; G601-T631 PolarHBondContact N-O 3.24Å; G601-T631 PolarHBondContact O-N 3.2Å; P628-T631 WeakPolarHBondContact O-CB 3.5Å; P628-T631 PolarHBondContact O-OG1 2.99Å; R629-T631 VanDerWaalsContact C-N 3.28Å; R629-T631 PolarHBondContact O-N 2.77Å; T631-L633 HydrophobicContact CG2-CD1 4.08Å; T631-L633 HydrophobicContact CG2-CD2 3.69Å; T631-L633 HydrophobicContact CG2-CG 3.78Å; T631-V661 CarbonylContact C-O 3.27Å; T631-V661 WeakPolarHBondContact CA-O 3.02Å; T631-L662 HydrophobicContact CG2-CD2 4.48Å; T631-F682 HydrophobicContact CG2-CE1 3.99Å; T631-F682 HydrophobicContact CG2-CZ 3.78Å
632	L	98.1	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.4	178.5	-178.8	63.3	0	0	0	110.2	F554 L557 I558 L599 L600 W618 L660 V661	F554-L632 HydrophobicContact CD2-CD1 3.94Å; F554-L632 HydrophobicContact CD2-CD2 4Å; F554-L632 HydrophobicContact CE2-CD1 4.09Å; F554-L632 HydrophobicContact CE2-CD2 3.89Å; L557-L632 HydrophobicContact CD1-CB 4.25Å; I558-L632 HydrophobicContact CG2-CD2 3.96Å; L599-L632 WeakPolarHBondContact O-CA 3.49Å; L600-L632 HydrophobicContact CD1-CD1 4.46Å; W618-L632 HydrophobicContact CH2-CD1 4.3Å; L632-L660 HydrophobicContact CB-CB 4.33Å; L632-L660 HydrophobicContact CD2-CB 4.11Å; L632-L660 HydrophobicContact CD2-CD2 3.85Å; L632-L660 HydrophobicContact CG-CB 4.08Å; L632-L660 HydrophobicContact CG-CD2 4.15Å; L632-L660 WeakPolarHBondContact O-CB 3.37Å; L632-L660 PolarHBondContact O-N 3.39Å; L632-V661 HydrophobicContact CB-CB 4.03Å; L632-V661 HydrophobicContact CB-CG2 4.19Å; L632-V661 PolarHBondContact N-O 3.25Å; L632-V661 PolarHBondContact O-N 3.46Å
633	L	98.4	Very high	95.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.6	-172.7	-47.9	-177	0	0	0	111.3	F598 L599 T631 V635 I656 V659 L662	F598-L633 CarbonylContact C-O 3.5Å; F598-L633 WeakPolarHBondContact CA-O 3.34Å; L599-L633 HydrophobicContact CB-CB 4.47Å; L599-L633 HydrophobicContact CD2-CD1 4.33Å; L599-L633 PolarHBondContact N-O 3.21Å; L599-L633 PolarHBondContact O-N 2.83Å; T631-L633 HydrophobicContact CG2-CD1 4.08Å; T631-L633 HydrophobicContact CG2-CD2 3.69Å; T631-L633 HydrophobicContact CG2-CG 3.78Å; L633-V635 HydrophobicContact CB-CG1 3.62Å; L633-V635 HydrophobicContact CD1-CG1 4.36Å; L633-I656 HydrophobicContact CD1-CD1 3.9Å; L633-I656 HydrophobicContact CD1-CG1 4.13Å; L633-V659 HydrophobicContact CD2-CB 4.21Å; L633-V659 HydrophobicContact CD2-CG1 3.85Å; L633-L662 HydrophobicContact CD2-CD2 3.67Å
634	S	97.8	Very high	94.9	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.2	162.8	173.9	0	0	0	0	108.2	Q596 L657 D658	Q596-S634 PolarHBondContact NE2-OG 3.02Å; S634-L657 PolarHBondContact O-N 3.23Å; S634-D658 PolarHBondContact N-O 3.29Å; S634-D658 PolarHBondContact O-N 3.13Å
635	V	98.1	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	167.6	-168.3	-53.5	0	0	0	0	113	Q596 K597 L599 L633 I654 H655 I656	Q596-V635 CarbonylContact C-O 3.55Å; Q596-V635 WeakPolarHBondContact CA-O 3.44Å; K597-V635 HydrophobicContact CB-CG2 4.5Å; K597-V635 PolarHBondContact N-O 3.27Å; K597-V635 PolarHBondContact O-N 3.18Å; L599-V635 HydrophobicContact CB-CG1 4.04Å; L599-V635 HydrophobicContact CB-CG2 3.67Å; L599-V635 HydrophobicContact CD1-CG1 4.43Å; L599-V635 HydrophobicContact CD1-CG2 4.03Å; L633-V635 HydrophobicContact CB-CG1 3.62Å; L633-V635 HydrophobicContact CD1-CG1 4.36Å; V635-I654 HydrophobicContact CB-CG2 3.93Å; V635-I654 HydrophobicContact CG1-CG2 3.81Å; V635-I654 HydrophobicContact CG2-CG2 4.34Å; V635-H655 CarbonylContact C-O 3.55Å; V635-H655 VanDerWaalsContact CA-O 3.22Å; V635-H655 WeakPolarHBondContact CA-O 3.32Å; V635-I656 HydrophobicContact CG1-CG1 4.25Å
636	E	97.3	Very high	93.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.8	159.6	-76	172.6	-145.4	0	0	109.3	S592 G593 S594 V638 H655 L657 K700 Y745	S592-E636 PolarHBondContact OG-OE1 3.25Å; G593-E636 PolarHBondContact N-OE2 2.73Å; S594-E636 PolarHBondContact N-OE2 3.05Å; E636-V638 HydrophobicContact CB-CG2 3.78Å; E636-H655 HydrophobicContact CB-CB 4.39Å; E636-H655 PolarHBondContact N-O 3.22Å; E636-H655 PolarHBondContact O-N 3.36Å; E636-L657 HydrophobicContact CG-CD1 3.89Å; E636-L657 HydrophobicContact CG-CG 4.37Å; E636-K700 VanDerWaalsContact CD-NZ 3.3Å; E636-K700 IonicContact OE1-NZ 3.85Å; E636-K700 PolarHBondContact OE1-NZ 3.42Å; E636-K700 VanDerWaalsContact OE2-CE 3.28Å; E636-K700 WeakPolarHBondContact OE2-CE 3.18Å; E636-K700 IonicContact OE2-NZ 2.68Å; E636-K700 PolarHBondContact OE2-NZ 3Å; E636-Y745 WeakPolarHBondContact OE1-CE2 3.48Å
637	I	97.1	Very high	93.1	Very high	30 Å²	30	36.9 Å²	36.9	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.1	166.6	-51.4	-57.3	0	0	0	107.5	S594 L621 L623 I654	S594-I637 WeakPolarHBondContact CB-O 3.49Å; S594-I637 PolarHBondContact OG-O 2.97Å; S594-I637 VanDerWaalsContact OG-O 3.1Å; L621-I637 HydrophobicContact CD1-CD1 4.08Å; L621-I637 HydrophobicContact CD1-CG1 4.35Å; L621-I637 HydrophobicContact CD2-CD1 4.28Å; L623-I637 HydrophobicContact CD1-CD1 4.45Å; L623-I637 HydrophobicContact CD1-CG2 4.33Å; I637-I654 HydrophobicContact CD1-CG1 3.83Å
638	V	95.6	Very high	92.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.9	-171.1	-179	0	0	0	0	110.1	E636 S652 A653 H655 F739	E636-V638 HydrophobicContact CB-CG2 3.78Å; V638-S652 CarbonylContact O-C 3.55Å; V638-S652 WeakPolarHBondContact O-CA 3.36Å; V638-A653 PolarHBondContact N-O 3.5Å; V638-A653 PolarHBondContact O-N 2.74Å; V638-H655 HydrophobicContact CG2-CB 3.92Å; V638-F739 HydrophobicContact CG1-CB 3.57Å; V638-F739 HydrophobicContact CG1-CD1 4.01Å; V638-F739 HydrophobicContact CG1-CD2 3.91Å; V638-F739 HydrophobicContact CG1-CG 3.56Å
639	H	94.5	Very high	92.5	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.407	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.8	171.5	-68.9	-45	0	0	0	110.6	K650 S652 F739	H639-K650 HydrophobicContact CB-CG 4.45Å; H639-K650 VanDerWaalsContact CD2-CE 3.44Å; H639-K650 WeakPolarHBondContact CD2-CE 3.35Å; H639-K650 PolarHBondContact CD2-NZ 3.16Å; H639-K650 VanDerWaalsContact CD2-NZ 3.28Å; H639-K650 WeakPolarHBondContact ND1-CE 3.42Å; H639-K650 PolarHBondContact NE2-NZ 2.8Å; H639-S652 PolarHBondContact CE1-OG 3.21Å; H639-S652 VanDerWaalsContact CE1-OG 3.29Å; H639-S652 PolarHBondContact ND1-OG 2.89Å; H639-S652 VanDerWaalsContact ND1-OG 3.1Å; H639-F739 WeakPolarHBondContact O-CB 3.32Å
640	E	93.7	Very high	92.4	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.7	173.9	-65	178.2	177.8	0	0	110.5	K650 I651 A653 H655 R737	E640-K650 WeakPolarHBondContact O-CA 3.2Å; E640-I651 HydrophobicContact CB-CG2 3.84Å; E640-I651 PolarHBondContact N-O 2.88Å; E640-I651 PolarHBondContact O-N 2.87Å; E640-A653 HydrophobicContact CG-CB 3.98Å; E640-A653 WeakPolarHBondContact OE1-CB 3.16Å; E640-H655 IonicContact OE1-CD2 3.27Å; E640-H655 IonicContact OE1-CE1 2.63Å; E640-H655 IonicContact OE1-NE2 3.11Å; E640-H655 PolarHBondContact OE1-NE2 2.67Å; E640-R737 HydrophobicContact CB-CB 4.46Å; E640-R737 WeakPolarHBondContact OE2-CD 3.38Å; E640-R737 IonicContact OE2-CZ 3.81Å; E640-R737 IonicContact OE2-NE 3.94Å; E640-R737 IonicContact OE2-NH1 2.86Å; E640-R737 PolarHBondContact OE2-NH1 2.83Å
641	L	93.6	Very high	92.3	Very high	11 Å²	11	51 Å²	51	6%	0.058	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.7	-177.6	-57.5	175.7	0	0	0	109.3	Q648 R649 K650 I720 R737 H738	L641-Q648 HydrophobicContact CB-CG 4.29Å; L641-Q648 HydrophobicContact CD2-CG 4.28Å; L641-R649 WeakPolarHBondContact CA-O 3.26Å; L641-K650 HydrophobicContact CD2-CB 3.88Å; L641-K650 HydrophobicContact CD2-CD 4.46Å; L641-K650 HydrophobicContact CD2-CG 3.89Å; L641-I720 HydrophobicContact CD1-CD1 4.02Å; L641-I720 HydrophobicContact CD1-CG1 4.2Å; L641-I720 HydrophobicContact CD1-CG2 3.96Å; L641-R737 CarbonylContact O-C 3.4Å; L641-R737 VanDerWaalsContact O-CA 3.32Å; L641-R737 WeakPolarHBondContact O-CA 3.37Å; L641-H738 WeakPolarHBondContact CB-O 3.41Å; L641-H738 PolarHBondContact N-O 3.13Å; L641-H738 PolarHBondContact O-N 2.85Å; L641-H738 PolarHBondContact O-ND1 3.35Å; L641-H738 VanDerWaalsContact O-ND1 3.1Å
642	K	91.6	Very high	92.2	Very high	89 Å²	89	52.4 Å²	52.4	39%	0.387	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.6	173.3	-177.2	167.1	175.7	146.7	0	109.8	Q648 R649 D736 R737	K642-Q648 WeakPolarHBondContact O-CA 3.29Å; K642-R649 PolarHBondContact N-O 2.82Å; K642-R649 PolarHBondContact O-N 3.39Å; K642-D736 WeakPolarHBondContact CE-OD1 3.36Å; K642-D736 WeakPolarHBondContact CE-OD2 3.2Å; K642-D736 IonicContact NZ-OD1 3.7Å; K642-D736 PolarHBondContact NZ-OD1 3.15Å; K642-D736 IonicContact NZ-OD2 2.82Å; K642-D736 PolarHBondContact NZ-OD2 2.97Å; K642-R737 HydrophobicContact CB-CG 4.49Å
643	G	88.7	Confident	92	Very high	40 Å²	40	52.4 Å²	52.4	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	71.6	-175.6	-171	0	0	0	0	0	113.5	Q648 H738	G643-Q648 WeakPolarHBondContact O-CG 3.31Å; G643-Q648 PolarHBondContact O-NE2 3.36Å; G643-Q648 VanDerWaalsContact O-NE2 3.09Å; G643-H738 PolarHBondContact O-CE1 3.44Å
644	E	86.4	Confident	92	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-132.1	161.2	-174.7	-66.3	-169	-145.1	0	0	112.8	K646 K718 V719	E644-K646 PolarHBondContact O-N 3.37Å; E644-K718 HydrophobicContact CG-CB 4.27Å; E644-K718 HydrophobicContact CG-CD 4.4Å; E644-K718 WeakPolarHBondContact OE1-CD 3.39Å; E644-K718 WeakPolarHBondContact OE1-CE 3.49Å; E644-K718 WeakPolarHBondContact OE1-CG 3.38Å; E644-V719 PolarHBondContact OE2-N 2.82Å
645	G	81.4	Confident	92	Very high	24 Å²	24	52.9 Å²	52.9	25%	0.247	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	61	-134.4	174.8	0	0	0	0	0	113.7	A647 Q648 V719	G645-A647 PolarHBondContact O-N 3.08Å; G645-Q648 WeakPolarHBondContact O-CB 3.44Å; G645-Q648 PolarHBondContact O-N 2.94Å; G645-V719 PolarHBondContact N-O 2.95Å
646	K	80.4	Confident	92	Very high	208 Å²	208	52.9 Å²	52.9	90%	0.904	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.3	-28	-173.7	-68.8	-174.9	179.9	179.2	0	113.8	E644 Q648	E644-K646 PolarHBondContact O-N 3.37Å; K646-Q648 VanDerWaalsContact C-N 3.33Å
647	A	83.4	Confident	92	Very high	86 Å²	86	53.2 Å²	53.2	71%	0.711	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-87.8	-0.4	-179.3	0	0	0	0	0	113.4	G645 R649	G645-A647 PolarHBondContact O-N 3.08Å; A647-R649 PolarHBondContact O-N 3.2Å
648	Q	89.6	Confident	92	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.079	27%	0.266	C	S	.	.			trans	-61.7	128.4	-178.8	-176.8	172	75.1	0	0	111.8	L641 K642 G643 G645 K646	L641-Q648 HydrophobicContact CB-CG 4.29Å; L641-Q648 HydrophobicContact CD2-CG 4.28Å; K642-Q648 WeakPolarHBondContact O-CA 3.29Å; G643-Q648 WeakPolarHBondContact O-CG 3.31Å; G643-Q648 PolarHBondContact O-NE2 3.36Å; G643-Q648 VanDerWaalsContact O-NE2 3.09Å; G645-Q648 WeakPolarHBondContact O-CB 3.44Å; G645-Q648 PolarHBondContact O-N 2.94Å; K646-Q648 VanDerWaalsContact C-N 3.33Å
649	R	90.1	Very high	92	Very high	198 Å²	198	52.2 Å²	52.2	75%	0.747	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	140.5	172.7	-61.8	-176.5	-177.6	-176.6	0.5	109.4	L641 K642 A647	L641-R649 WeakPolarHBondContact CA-O 3.26Å; K642-R649 PolarHBondContact N-O 2.82Å; K642-R649 PolarHBondContact O-N 3.39Å; A647-R649 PolarHBondContact O-N 3.2Å
650	K	91.9	Very high	92.2	Very high	131 Å²	131	48 Å²	48	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	134.1	179.6	-179.5	-178.9	178	-174.6	0	109.4	H639 E640 L641	H639-K650 HydrophobicContact CB-CG 4.45Å; H639-K650 VanDerWaalsContact CD2-CE 3.44Å; H639-K650 WeakPolarHBondContact CD2-CE 3.35Å; H639-K650 PolarHBondContact CD2-NZ 3.16Å; H639-K650 VanDerWaalsContact CD2-NZ 3.28Å; H639-K650 WeakPolarHBondContact ND1-CE 3.42Å; H639-K650 PolarHBondContact NE2-NZ 2.8Å; E640-K650 WeakPolarHBondContact O-CA 3.2Å; L641-K650 HydrophobicContact CD2-CB 3.88Å; L641-K650 HydrophobicContact CD2-CD 4.46Å; L641-K650 HydrophobicContact CD2-CG 3.89Å
651	I	92.8	Very high	92.4	Very high	48 Å²	48	47.8 Å²	47.8	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.8	174.7	-174	170.9	0	0	0	109.8	E640 P696	E640-I651 HydrophobicContact CB-CG2 3.84Å; E640-I651 PolarHBondContact N-O 2.88Å; E640-I651 PolarHBondContact O-N 2.87Å; I651-P696 HydrophobicContact CD1-CG 4.39Å
652	S	95.3	Very high	92.5	Very high	29 Å²	29	47.2 Å²	47.2	20%	0.203	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.7	172.9	-61.7	0	0	0	0	109.9	V638 H639 N695	V638-S652 CarbonylContact O-C 3.55Å; V638-S652 WeakPolarHBondContact O-CA 3.36Å; H639-S652 PolarHBondContact CE1-OG 3.21Å; H639-S652 VanDerWaalsContact CE1-OG 3.29Å; H639-S652 PolarHBondContact ND1-OG 2.89Å; H639-S652 VanDerWaalsContact ND1-OG 3.1Å; S652-N695 PolarHBondContact O-ND2 3.23Å
653	A	95.4	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	-178.7	0	0	0	0	0	110.4	V638 E640 P696	V638-A653 PolarHBondContact N-O 3.5Å; V638-A653 PolarHBondContact O-N 2.74Å; E640-A653 HydrophobicContact CG-CB 3.98Å; E640-A653 WeakPolarHBondContact OE1-CB 3.16Å; A653-P696 WeakPolarHBondContact CA-O 3.41Å; A653-P696 HydrophobicContact CB-CG 3.75Å
654	I	97.4	Very high	92.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120	170.3	-61	168.7	0	0	0	107.4	L599 L621 L623 T625 V635 I637 P696 I697 R698	L599-I654 HydrophobicContact CD1-CD1 3.85Å; L599-I654 HydrophobicContact CD1-CG1 4.4Å; L599-I654 HydrophobicContact CD1-CG2 4.05Å; L621-I654 HydrophobicContact CD2-CD1 3.77Å; L621-I654 HydrophobicContact CD2-CG1 4.27Å; L623-I654 HydrophobicContact CD1-CD1 4.38Å; L623-I654 HydrophobicContact CD1-CG1 3.93Å; T625-I654 HydrophobicContact CG2-CD1 3.75Å; V635-I654 HydrophobicContact CB-CG2 3.93Å; V635-I654 HydrophobicContact CG1-CG2 3.81Å; V635-I654 HydrophobicContact CG2-CG2 4.34Å; I637-I654 HydrophobicContact CD1-CG1 3.83Å; I654-P696 PolarHBondContact N-O 2.97Å; I654-I697 HydrophobicContact CB-CG1 4.36Å; I654-I697 HydrophobicContact CB-CG2 4.28Å; I654-I697 HydrophobicContact CD1-CD1 4.45Å; I654-I697 HydrophobicContact CD1-CG1 4.24Å; I654-I697 HydrophobicContact CG2-CG2 4.26Å; I654-I697 CarbonylContact O-C 3.51Å; I654-I697 WeakPolarHBondContact O-CA 3.34Å; I654-R698 PolarHBondContact O-N 3.43Å
655	H	97.3	Very high	93.3	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.065	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.2	176.6	-79.6	-148	0	0	0	109.5	V635 E636 V638 E640 R698 K700	V635-H655 CarbonylContact C-O 3.55Å; V635-H655 VanDerWaalsContact CA-O 3.22Å; V635-H655 WeakPolarHBondContact CA-O 3.32Å; E636-H655 HydrophobicContact CB-CB 4.39Å; E636-H655 PolarHBondContact N-O 3.22Å; E636-H655 PolarHBondContact O-N 3.36Å; V638-H655 HydrophobicContact CG2-CB 3.92Å; E640-H655 IonicContact OE1-CD2 3.27Å; E640-H655 IonicContact OE1-CE1 2.63Å; E640-H655 IonicContact OE1-NE2 3.11Å; E640-H655 PolarHBondContact OE1-NE2 2.67Å; H655-R698 CarbonylContact C-O 3.4Å; H655-R698 WeakPolarHBondContact CA-O 3.16Å; H655-K700 HydrophobicContact CB-CG 4.08Å
656	I	98.2	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.6	179.3	-57.5	174.2	0	0	0	109.6	L633 V635 V659 A679 V683 I697 R698 V699 K700	L633-I656 HydrophobicContact CD1-CD1 3.9Å; L633-I656 HydrophobicContact CD1-CG1 4.13Å; V635-I656 HydrophobicContact CG1-CG1 4.25Å; I656-V659 HydrophobicContact CG2-CG1 3.71Å; I656-A679 HydrophobicContact CG2-CB 4.24Å; I656-V683 HydrophobicContact CD1-CG2 3.59Å; I656-I697 HydrophobicContact CD1-CG2 3.83Å; I656-I697 HydrophobicContact CG1-CG2 4.09Å; I656-R698 PolarHBondContact N-O 3.28Å; I656-V699 HydrophobicContact CD1-CG2 4.42Å; I656-K700 WeakPolarHBondContact O-CB 3.45Å; I656-K700 WeakPolarHBondContact O-CG 3.48Å; I656-K700 PolarHBondContact O-N 3.01Å
657	L	97.4	Very high	94.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-38.7	172.8	-69.9	169.5	0	0	0	112.1	M590 Q596 S634 E636 I676 K700 Y745	M590-L657 HydrophobicContact CE-CD2 4.2Å; M590-L657 HydrophobicContact SD-CD2 4.17Å; Q596-L657 HydrophobicContact CB-CD1 3.97Å; Q596-L657 HydrophobicContact CG-CD1 3.81Å; S634-L657 PolarHBondContact O-N 3.23Å; E636-L657 HydrophobicContact CG-CD1 3.89Å; E636-L657 HydrophobicContact CG-CG 4.37Å; L657-I676 WeakPolarHBondContact O-CD1 3.3Å; L657-K700 HydrophobicContact CD2-CB 4.5Å; L657-K700 HydrophobicContact CD2-CD 3.83Å; L657-K700 HydrophobicContact CD2-CG 3.83Å; L657-Y745 HydrophobicContact CD1-CE2 4.36Å; L657-Y745 HydrophobicContact CD2-CD2 4.22Å; L657-Y745 HydrophobicContact CD2-CE2 4.43Å
658	D	97.4	Very high	95.3	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	162.1	178	-152.7	-22.2	0	0	0	109.6	S634 R675 F787	S634-D658 PolarHBondContact N-O 3.29Å; S634-D658 PolarHBondContact O-N 3.13Å; D658-R675 IonicContact OD1-CZ 2.98Å; D658-R675 IonicContact OD1-NE 3.11Å; D658-R675 PolarHBondContact OD1-NE 3.06Å; D658-R675 IonicContact OD1-NH2 2.73Å; D658-R675 IonicContact OD2-CZ 3.71Å; D658-R675 IonicContact OD2-NE 3.35Å; D658-R675 PolarHBondContact OD2-NE 3.1Å; D658-R675 IonicContact OD2-NH2 3.82Å; D658-R675 PolarHBondContact OD2-NH2 2.73Å; D658-F787 HydrophobicContact CB-CD2 4.32Å; D658-F787 HydrophobicContact CB-CE2 4.28Å
659	V	96.8	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.6	-178.9	-61.9	0	0	0	0	110.8	L633 I656 L662 V667 R675 A679	L633-V659 HydrophobicContact CD2-CB 4.21Å; L633-V659 HydrophobicContact CD2-CG1 3.85Å; I656-V659 HydrophobicContact CG2-CG1 3.71Å; V659-L662 HydrophobicContact CB-CD1 4.5Å; V659-L662 HydrophobicContact CB-CD2 4.23Å; V659-L662 HydrophobicContact CB-CG 4.42Å; V659-L662 HydrophobicContact CG1-CD2 4.2Å; V659-L662 HydrophobicContact CG2-CD1 4.36Å; V659-V667 HydrophobicContact CB-CG2 4.36Å; V659-V667 HydrophobicContact CG2-CG2 3.76Å; V659-R675 HydrophobicContact CG2-CB 3.7Å; V659-R675 HydrophobicContact CG2-CG 4.46Å; V659-R675 WeakPolarHBondContact CG2-O 3.31Å; V659-R675 WeakPolarHBondContact O-CD 3.4Å; V659-A679 HydrophobicContact CG1-CB 3.4Å; V659-A679 HydrophobicContact CG2-CB 4.36Å
660	L	97.1	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-52.6	-178.2	-68.1	75	0	0	0	110.4	F566 F598 L632 V667 R668 F787	F566-L660 HydrophobicContact CD1-CD2 4.5Å; F566-L660 HydrophobicContact CE1-CD2 3.47Å; F566-L660 VanDerWaalsContact CE1-CD2 3.47Å; F566-L660 HydrophobicContact CZ-CD2 4.07Å; F598-L660 HydrophobicContact CE1-CD2 4.37Å; L632-L660 HydrophobicContact CB-CB 4.33Å; L632-L660 HydrophobicContact CD2-CB 4.11Å; L632-L660 HydrophobicContact CD2-CD2 3.85Å; L632-L660 HydrophobicContact CG-CB 4.08Å; L632-L660 HydrophobicContact CG-CD2 4.15Å; L632-L660 WeakPolarHBondContact O-CB 3.37Å; L632-L660 PolarHBondContact O-N 3.39Å; L660-V667 WeakPolarHBondContact O-CG2 3.39Å; L660-V667 PolarHBondContact O-N 3.26Å; L660-R668 HydrophobicContact CB-CG 3.71Å; L660-R668 HydrophobicContact CD2-CG 4.49Å; L660-R668 HydrophobicContact CG-CG 3.99Å; L660-F787 HydrophobicContact CD1-CD2 3.93Å; L660-F787 HydrophobicContact CD1-CE1 4.48Å; L660-F787 HydrophobicContact CD1-CE2 3.63Å; L660-F787 HydrophobicContact CD1-CG 4.49Å; L660-F787 HydrophobicContact CD1-CZ 3.95Å; L660-F787 HydrophobicContact CD2-CD1 3.95Å; L660-F787 HydrophobicContact CD2-CE1 3.68Å; L660-F787 HydrophobicContact CD2-CE2 4.3Å; L660-F787 HydrophobicContact CD2-CG 4.39Å; L660-F787 HydrophobicContact CD2-CZ 3.89Å; L660-F787 HydrophobicContact CG-CD1 4.11Å; L660-F787 HydrophobicContact CG-CD2 3.99Å; L660-F787 HydrophobicContact CG-CE1 4.16Å; L660-F787 HydrophobicContact CG-CE2 4.03Å; L660-F787 HydrophobicContact CG-CG 4.04Å; L660-F787 HydrophobicContact CG-CZ 4.13Å
661	V	97.6	Very high	95.8	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.8	179.2	-170.6	0	0	0	0	109.3	L557 D630 T631 L632 N665	L557-V661 HydrophobicContact CB-CG2 4.4Å; L557-V661 HydrophobicContact CD2-CG1 4.34Å; D630-V661 WeakPolarHBondContact O-CG1 3.26Å; T631-V661 CarbonylContact C-O 3.27Å; T631-V661 WeakPolarHBondContact CA-O 3.02Å; L632-V661 HydrophobicContact CB-CB 4.03Å; L632-V661 HydrophobicContact CB-CG2 4.19Å; L632-V661 PolarHBondContact N-O 3.25Å; L632-V661 PolarHBondContact O-N 3.46Å; V661-N665 CarbonylContact C-O 3.6Å; V661-N665 WeakPolarHBondContact CA-O 3.37Å
662	L	96.4	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.7	178.4	-63.1	175.8	0	0	0	109.2	W289 T631 L633 V659 G664 N665 L678 F682	W289-L662 HydrophobicContact CD2-CB 4.22Å; W289-L662 HydrophobicContact CE3-CD1 4.36Å; W289-L662 HydrophobicContact CH2-CB 4.38Å; W289-L662 HydrophobicContact CH2-CD1 3.42Å; W289-L662 VanDerWaalsContact CH2-CD1 3.42Å; W289-L662 HydrophobicContact CZ2-CB 3.97Å; W289-L662 HydrophobicContact CZ2-CD1 3.81Å; W289-L662 HydrophobicContact CZ3-CD1 3.75Å; W289-L662 PolarHBondContact NE1-O 3.13Å; T631-L662 HydrophobicContact CG2-CD2 4.48Å; L633-L662 HydrophobicContact CD2-CD2 3.67Å; V659-L662 HydrophobicContact CB-CD1 4.5Å; V659-L662 HydrophobicContact CB-CD2 4.23Å; V659-L662 HydrophobicContact CB-CG 4.42Å; V659-L662 HydrophobicContact CG1-CD2 4.2Å; V659-L662 HydrophobicContact CG2-CD1 4.36Å; L662-G664 VanDerWaalsContact C-N 3.26Å; L662-G664 PolarHBondContact O-N 2.98Å; L662-N665 PolarHBondContact N-O 3.48Å; L662-N665 WeakPolarHBondContact O-CB 3.26Å; L662-N665 PolarHBondContact O-N 3.46Å; L662-L678 HydrophobicContact CD1-CB 4.11Å; L662-F682 HydrophobicContact CB-CD2 4.21Å; L662-F682 HydrophobicContact CB-CE2 4.43Å; L662-F682 HydrophobicContact CD1-CB 4.12Å; L662-F682 HydrophobicContact CD1-CG 4.43Å; L662-F682 HydrophobicContact CD2-CB 4.2Å; L662-F682 HydrophobicContact CD2-CD1 3.84Å; L662-F682 HydrophobicContact CD2-CD2 3.95Å; L662-F682 HydrophobicContact CD2-CE1 4.11Å; L662-F682 HydrophobicContact CD2-CE2 4.23Å; L662-F682 HydrophobicContact CD2-CG 3.73Å; L662-F682 HydrophobicContact CD2-CZ 4.29Å; L662-F682 HydrophobicContact CG-CD2 4.47Å
663	N	94.9	Very high	95.9	Very high	16 Å²	16	26.8 Å²	26.8	9%	0.086	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	47.4	-178.9	-163.7	-142.9	0	0	0	113.9	W289 S313 P628 R629 D630 N665	W289-N663 HydrophobicContact CB-CB 4.21Å; W289-N663 HydrophobicContact CG-CB 4.27Å; S313-N663 PolarHBondContact OG-ND2 3.24Å; P628-N663 HydrophobicContact CB-CB 4.16Å; R629-N663 WeakPolarHBondContact O-CA 3.18Å; R629-N663 PolarHBondContact O-ND2 2.94Å; D630-N663 PolarHBondContact O-N 2.95Å; N663-N665 VanDerWaalsContact C-N 3.33Å; N663-N665 PolarHBondContact O-N 3.35Å
664	G	94.2	Very high	95.8	Very high	44 Å²	44	28.8 Å²	28.8	45%	0.454	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-5.5	-179.8	0	0	0	0	0	115	D630 L662	D630-G664 VanDerWaalsContact CB-N 3.3Å; D630-G664 PolarHBondContact O-N 3.16Å; L662-G664 VanDerWaalsContact C-N 3.26Å; L662-G664 PolarHBondContact O-N 2.98Å
665	N	94.1	Very high	95.8	Very high	74 Å²	74	28.8 Å²	28.8	40%	0.396	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.8	176.6	-173.4	-129.6	0	0	0	111.5	V661 L662 N663 V667	V661-N665 CarbonylContact C-O 3.6Å; V661-N665 WeakPolarHBondContact CA-O 3.37Å; L662-N665 PolarHBondContact N-O 3.48Å; L662-N665 WeakPolarHBondContact O-CB 3.26Å; L662-N665 PolarHBondContact O-N 3.46Å; N663-N665 VanDerWaalsContact C-N 3.33Å; N663-N665 PolarHBondContact O-N 3.35Å; N665-V667 PolarHBondContact O-N 3.16Å
666	D	95.6	Very high	95.7	Very high	53 Å²	53	28.7 Å²	28.7	28%	0.283	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.9	176.7	-173.9	-12.2	0	0	0	111.3	R668	D666-R668 VanDerWaalsContact OD1-CB 3.24Å; D666-R668 WeakPolarHBondContact OD1-CB 3.13Å; D666-R668 VanDerWaalsContact OD1-CG 3.24Å; D666-R668 WeakPolarHBondContact OD1-CG 3.23Å; D666-R668 PolarHBondContact OD1-N 3.01Å; D666-R668 IonicContact OD1-NE 2.73Å; D666-R668 PolarHBondContact OD1-NE 2.92Å; D666-R668 IonicContact OD2-CZ 2.69Å; D666-R668 VanDerWaalsContact OD2-CZ 3.25Å; D666-R668 IonicContact OD2-NE 3.08Å; D666-R668 PolarHBondContact OD2-NE 3.02Å; D666-R668 IonicContact OD2-NH2 3.71Å; D666-R668 PolarHBondContact OD2-NH2 2.92Å
667	V	95.4	Very high	95.6	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	17%	0.168	C	C	.	.			trans	-113.5	6.4	-177.8	-62	0	0	0	0	112.7	V659 L660 N665 K669 Q670 R675 L678	V659-V667 HydrophobicContact CB-CG2 4.36Å; V659-V667 HydrophobicContact CG2-CG2 3.76Å; L660-V667 WeakPolarHBondContact O-CG2 3.39Å; L660-V667 PolarHBondContact O-N 3.26Å; N665-V667 PolarHBondContact O-N 3.16Å; V667-K669 PolarHBondContact O-N 3.11Å; V667-K669 VanDerWaalsContact O-N 3.08Å; V667-Q670 HydrophobicContact CB-CG 4.22Å; V667-Q670 WeakPolarHBondContact O-CB 3.38Å; V667-Q670 WeakPolarHBondContact O-CG 3.42Å; V667-Q670 PolarHBondContact O-N 2.79Å; V667-R675 VanDerWaalsContact O-CD 3.23Å; V667-R675 WeakPolarHBondContact O-CD 2.68Å; V667-L678 HydrophobicContact CB-CD1 4.26Å; V667-L678 HydrophobicContact CG1-CD1 3.87Å
668	R	95.4	Very high	95.5	Very high	28 Å²	28	33 Å²	33	11%	0.106	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.6	-174.4	-69.2	178.5	-68.4	171.2	-1.1	114.2	I558 T561 L660 D666 P786 F787	I558-R668 PolarHBondContact O-NH1 2.75Å; I558-R668 PolarHBondContact O-NH2 3.34Å; T561-R668 PolarHBondContact OG1-NH1 3.05Å; L660-R668 HydrophobicContact CB-CG 3.71Å; L660-R668 HydrophobicContact CD2-CG 4.49Å; L660-R668 HydrophobicContact CG-CG 3.99Å; D666-R668 VanDerWaalsContact OD1-CB 3.24Å; D666-R668 WeakPolarHBondContact OD1-CB 3.13Å; D666-R668 VanDerWaalsContact OD1-CG 3.24Å; D666-R668 WeakPolarHBondContact OD1-CG 3.23Å; D666-R668 PolarHBondContact OD1-N 3.01Å; D666-R668 IonicContact OD1-NE 2.73Å; D666-R668 PolarHBondContact OD1-NE 2.92Å; D666-R668 IonicContact OD2-CZ 2.69Å; D666-R668 VanDerWaalsContact OD2-CZ 3.25Å; D666-R668 IonicContact OD2-NE 3.08Å; D666-R668 PolarHBondContact OD2-NE 3.02Å; D666-R668 IonicContact OD2-NH2 3.71Å; D666-R668 PolarHBondContact OD2-NH2 2.92Å; R668-P786 CarbonylContact O-C 3.28Å; R668-P786 WeakPolarHBondContact O-CA 3.33Å; R668-P786 WeakPolarHBondContact O-CB 3.31Å; R668-F787 HydrophobicContact CB-CB 3.98Å; R668-F787 HydrophobicContact CG-CB 4.14Å; R668-F787 PolarHBondContact O-N 2.89Å
669	K	94.3	Very high	95.5	Very high	172 Å²	172	32.6 Å²	32.6	75%	0.748	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.6	179.7	-63.8	-178.7	-178.6	176	0	113.6	V667	V667-K669 PolarHBondContact O-N 3.11Å; V667-K669 VanDerWaalsContact O-N 3.08Å
670	Q	94.6	Very high	95.5	Very high	68 Å²	68	36.4 Å²	36.4	32%	0.318	19%	0.185	S	C	.	.	S	Bend	trans	-71.5	156.4	179.2	-58.7	-60	-27.6	0	0	110.9	V667 Q674 R675	V667-Q670 HydrophobicContact CB-CG 4.22Å; V667-Q670 WeakPolarHBondContact O-CB 3.38Å; V667-Q670 WeakPolarHBondContact O-CG 3.42Å; V667-Q670 PolarHBondContact O-N 2.79Å; Q670-Q674 HydrophobicContact CB-CB 4.34Å; Q670-Q674 HydrophobicContact CB-CG 4.26Å; Q670-R675 HydrophobicContact CB-CG 3.91Å; Q670-R675 PolarHBondContact O-NH1 2.83Å
671	H	94.7	Very high	95.4	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.093	19%	0.186	C	C	.	.			trans	-58.7	143.8	173.9	-176	-78.7	0	0	0	111.7	N673 Q674 R675 T749 I784	H671-N673 PolarHBondContact CE1-ND2 3.33Å; H671-N673 VanDerWaalsContact CE1-ND2 3.33Å; H671-N673 PolarHBondContact ND1-N 3.19Å; H671-N673 VanDerWaalsContact ND1-N 3.11Å; H671-N673 PolarHBondContact O-N 3.19Å; H671-Q674 HydrophobicContact CB-CB 4.44Å; H671-Q674 WeakPolarHBondContact O-CA 3.4Å; H671-Q674 VanDerWaalsContact O-CB 3.29Å; H671-Q674 WeakPolarHBondContact O-CB 3.42Å; H671-Q674 PolarHBondContact O-N 3.49Å; H671-R675 PolarHBondContact O-N 3.17Å; H671-T749 PolarHBondContact NE2-O 3.03Å; H671-I784 HydrophobicContact CB-CG1 4.33Å; H671-I784 HydrophobicContact CB-CG2 4.05Å
672	F	96.1	Very high	95.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-47.4	-53.6	-178.3	177.9	-99.2	0	0	0	113	R588 M590 Q674 R675 I676 V702 V747 T749	R588-F672 HydrophobicContact CB-CD1 4.41Å; R588-F672 HydrophobicContact CB-CE1 3.99Å; R588-F672 HydrophobicContact CG-CD1 4.16Å; R588-F672 HydrophobicContact CG-CE1 4.17Å; M590-F672 HydrophobicContact CE-CE2 4.41Å; M590-F672 HydrophobicContact CE-CZ 3.89Å; M590-F672 HydrophobicContact SD-CZ 4.21Å; F672-Q674 PolarHBondContact O-N 2.78Å; F672-R675 WeakPolarHBondContact O-CB 3.36Å; F672-R675 PolarHBondContact O-N 2.73Å; F672-I676 HydrophobicContact CD1-CG1 4.26Å; F672-I676 HydrophobicContact CE1-CD1 4.42Å; F672-I676 HydrophobicContact CE1-CG1 3.9Å; F672-I676 HydrophobicContact CE2-CD1 4.18Å; F672-I676 HydrophobicContact CE2-CG1 4.27Å; F672-I676 HydrophobicContact CZ-CD1 3.92Å; F672-I676 HydrophobicContact CZ-CG1 3.89Å; F672-I676 WeakPolarHBondContact O-CG1 3.25Å; F672-I676 PolarHBondContact O-N 3.29Å; F672-V702 HydrophobicContact CE1-CG1 3.78Å; F672-V702 HydrophobicContact CE1-CG2 4.19Å; F672-V702 HydrophobicContact CZ-CG2 4.33Å; F672-V747 HydrophobicContact CD2-CG1 4.26Å; F672-V747 HydrophobicContact CE2-CG1 4.18Å; F672-T749 HydrophobicContact CB-CG2 3.6Å; F672-T749 HydrophobicContact CD1-CG2 3.49Å; F672-T749 VanDerWaalsContact CD1-CG2 3.49Å; F672-T749 HydrophobicContact CE1-CG2 4.35Å; F672-T749 HydrophobicContact CG-CG2 3.67Å
673	N	93.8	Very high	95.3	Very high	49 Å²	49	37.5 Å²	37.5	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-34.6	177.2	-59.3	-24	0	0	0	113.4	H671 I676 Q677	H671-N673 PolarHBondContact CE1-ND2 3.33Å; H671-N673 VanDerWaalsContact CE1-ND2 3.33Å; H671-N673 PolarHBondContact ND1-N 3.19Å; H671-N673 VanDerWaalsContact ND1-N 3.11Å; H671-N673 PolarHBondContact O-N 3.19Å; N673-I676 PolarHBondContact O-N 2.88Å; N673-Q677 WeakPolarHBondContact O-CG 3.32Å; N673-Q677 PolarHBondContact O-N 2.88Å
674	Q	93.9	Very high	95.3	Very high	43 Å²	43	40 Å²	40	20%	0.201	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-41.9	175.7	-176	67.8	50.4	0	0	110.5	R262 Q670 H671 F672 I676 Q677 L678	R262-Q674 PolarHBondContact O-NE2 2.82Å; Q670-Q674 HydrophobicContact CB-CB 4.34Å; Q670-Q674 HydrophobicContact CB-CG 4.26Å; H671-Q674 HydrophobicContact CB-CB 4.44Å; H671-Q674 WeakPolarHBondContact O-CA 3.4Å; H671-Q674 VanDerWaalsContact O-CB 3.29Å; H671-Q674 WeakPolarHBondContact O-CB 3.42Å; H671-Q674 PolarHBondContact O-N 3.49Å; F672-Q674 PolarHBondContact O-N 2.78Å; Q674-I676 VanDerWaalsContact C-N 3.29Å; Q674-I676 PolarHBondContact O-N 3.07Å; Q674-Q677 PolarHBondContact O-N 3.23Å; Q674-L678 HydrophobicContact CG-CD1 4.13Å; Q674-L678 HydrophobicContact CG-CG 4.41Å; Q674-L678 WeakPolarHBondContact O-CB 3.16Å; Q674-L678 VanDerWaalsContact O-CG 3.23Å; Q674-L678 WeakPolarHBondContact O-CG 3.45Å; Q674-L678 PolarHBondContact O-N 2.62Å
675	R	96.3	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-42.4	174.4	-63.7	-165	-52.7	-99	6.4	111.1	D658 V659 V667 Q670 H671 F672 L678 A679 A785 C790	D658-R675 IonicContact OD1-CZ 2.98Å; D658-R675 IonicContact OD1-NE 3.11Å; D658-R675 PolarHBondContact OD1-NE 3.06Å; D658-R675 IonicContact OD1-NH2 2.73Å; D658-R675 IonicContact OD2-CZ 3.71Å; D658-R675 IonicContact OD2-NE 3.35Å; D658-R675 PolarHBondContact OD2-NE 3.1Å; D658-R675 IonicContact OD2-NH2 3.82Å; D658-R675 PolarHBondContact OD2-NH2 2.73Å; V659-R675 HydrophobicContact CG2-CB 3.7Å; V659-R675 HydrophobicContact CG2-CG 4.46Å; V659-R675 WeakPolarHBondContact CG2-O 3.31Å; V659-R675 WeakPolarHBondContact O-CD 3.4Å; V667-R675 VanDerWaalsContact O-CD 3.23Å; V667-R675 WeakPolarHBondContact O-CD 2.68Å; Q670-R675 HydrophobicContact CB-CG 3.91Å; Q670-R675 PolarHBondContact O-NH1 2.83Å; H671-R675 PolarHBondContact O-N 3.17Å; F672-R675 WeakPolarHBondContact O-CB 3.36Å; F672-R675 PolarHBondContact O-N 2.73Å; R675-L678 PolarHBondContact O-N 2.89Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.26Å; R675-A785 PolarHBondContact NH1-O 2.78Å; R675-C790 PolarHBondContact NH2-SG 3.29Å; R675-C790 VanDerWaalsContact NH2-SG 3.42Å
676	I	96.4	Very high	95.5	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.7	-61	-63.1	0	0	0	112.1	L657 F672 N673 Q674 L678 A679 E680 V699 V702	L657-I676 WeakPolarHBondContact O-CD1 3.3Å; F672-I676 HydrophobicContact CD1-CG1 4.26Å; F672-I676 HydrophobicContact CE1-CD1 4.42Å; F672-I676 HydrophobicContact CE1-CG1 3.9Å; F672-I676 HydrophobicContact CE2-CD1 4.18Å; F672-I676 HydrophobicContact CE2-CG1 4.27Å; F672-I676 HydrophobicContact CZ-CD1 3.92Å; F672-I676 HydrophobicContact CZ-CG1 3.89Å; F672-I676 WeakPolarHBondContact O-CG1 3.25Å; F672-I676 PolarHBondContact O-N 3.29Å; N673-I676 PolarHBondContact O-N 2.88Å; Q674-I676 VanDerWaalsContact C-N 3.29Å; Q674-I676 PolarHBondContact O-N 3.07Å; I676-L678 VanDerWaalsContact C-N 3.33Å; I676-L678 PolarHBondContact O-N 3.34Å; I676-A679 WeakPolarHBondContact O-CA 3.36Å; I676-A679 VanDerWaalsContact O-CB 3.26Å; I676-A679 WeakPolarHBondContact O-CB 3.49Å; I676-A679 PolarHBondContact O-N 3.45Å; I676-A679 VanDerWaalsContact O-N 3.12Å; I676-E680 WeakPolarHBondContact O-CG 3.32Å; I676-E680 PolarHBondContact O-N 3.28Å; I676-V699 HydrophobicContact CG2-CG1 3.95Å; I676-V702 HydrophobicContact CD1-CG2 4.08Å; I676-V702 HydrophobicContact CG1-CG2 4.01Å; I676-V702 HydrophobicContact CG2-CG2 3.93Å
677	Q	95.4	Very high	95.4	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.402	17%	0.165	S	C	.	.	H	α-helix	trans	-61.8	-40	174.9	-73.4	173.2	3.1	0	0	112.4	N673 Q674 A679 E680 K681	N673-Q677 WeakPolarHBondContact O-CG 3.32Å; N673-Q677 PolarHBondContact O-N 2.88Å; Q674-Q677 PolarHBondContact O-N 3.23Å; Q677-A679 VanDerWaalsContact C-N 3.31Å; Q677-E680 PolarHBondContact O-N 3.04Å; Q677-K681 PolarHBondContact O-N 3.44Å
678	L	95.9	Very high	95.3	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-36.3	174.2	-68.5	173.2	0	0	0	111.3	W289 L662 V667 Q674 R675 I676 K681 F682	W289-L678 HydrophobicContact CH2-CB 3.92Å; W289-L678 HydrophobicContact CH2-CD2 3.73Å; W289-L678 HydrophobicContact CH2-CG 4.28Å; W289-L678 WeakPolarHBondContact CZ3-O 3.33Å; L662-L678 HydrophobicContact CD1-CB 4.11Å; V667-L678 HydrophobicContact CB-CD1 4.26Å; V667-L678 HydrophobicContact CG1-CD1 3.87Å; Q674-L678 HydrophobicContact CG-CD1 4.13Å; Q674-L678 HydrophobicContact CG-CG 4.41Å; Q674-L678 WeakPolarHBondContact O-CB 3.16Å; Q674-L678 VanDerWaalsContact O-CG 3.23Å; Q674-L678 WeakPolarHBondContact O-CG 3.45Å; Q674-L678 PolarHBondContact O-N 2.62Å; R675-L678 PolarHBondContact O-N 2.89Å; I676-L678 VanDerWaalsContact C-N 3.33Å; I676-L678 PolarHBondContact O-N 3.34Å; L678-K681 PolarHBondContact O-N 3.36Å; L678-F682 VanDerWaalsContact O-CB 3.28Å; L678-F682 WeakPolarHBondContact O-CB 3.23Å; L678-F682 PolarHBondContact O-N 3.34Å
679	A	96.8	Very high	95.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-44.1	172.3	0	0	0	0	0	111.7	I656 V659 R675 I676 Q677 F682 V683 V699	I656-A679 HydrophobicContact CG2-CB 4.24Å; V659-A679 HydrophobicContact CG1-CB 3.4Å; V659-A679 HydrophobicContact CG2-CB 4.36Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.26Å; I676-A679 WeakPolarHBondContact O-CA 3.36Å; I676-A679 VanDerWaalsContact O-CB 3.26Å; I676-A679 WeakPolarHBondContact O-CB 3.49Å; I676-A679 PolarHBondContact O-N 3.45Å; I676-A679 VanDerWaalsContact O-N 3.12Å; Q677-A679 VanDerWaalsContact C-N 3.31Å; A679-F682 PolarHBondContact O-N 3.47Å; A679-V683 WeakPolarHBondContact O-CB 3.41Å; A679-V683 WeakPolarHBondContact O-CG2 3.33Å; A679-V683 PolarHBondContact O-N 3.27Å; A679-V699 HydrophobicContact CB-CG1 4.17Å; A679-V699 HydrophobicContact CB-CG2 3.79Å
680	E	95.8	Very high	94.8	Very high	80 Å²	80	30.5 Å²	30.5	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-45.2	178.1	-70.5	177.9	148	0	0	110.9	I676 Q677 F682 V683 K684 V699	I676-E680 WeakPolarHBondContact O-CG 3.32Å; I676-E680 PolarHBondContact O-N 3.28Å; Q677-E680 PolarHBondContact O-N 3.04Å; E680-F682 PolarHBondContact O-N 2.88Å; E680-V683 PolarHBondContact O-N 3.06Å; E680-K684 PolarHBondContact O-N 3.09Å; E680-V699 HydrophobicContact CB-CG2 4.46Å; E680-V699 HydrophobicContact CG-CB 4Å; E680-V699 HydrophobicContact CG-CG1 4.13Å; E680-V699 HydrophobicContact CG-CG2 3.91Å
681	K	95.6	Very high	94.7	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-47.3	173.8	-178.7	179.1	-168.2	161.9	0	111.8	K260 E261 D263 E265 L266 W289 H290 Q677 L678 K684 A685	K260-K681 PolarHBondContact O-NZ 3.21Å; E261-K681 PolarHBondContact O-NZ 2.67Å; D263-K681 WeakPolarHBondContact O-CD 3.27Å; D263-K681 WeakPolarHBondContact O-CE 3.09Å; D263-K681 PolarHBondContact O-NZ 2.97Å; E265-K681 WeakPolarHBondContact O-CE 3.4Å; E265-K681 PolarHBondContact O-NZ 3.44Å; L266-K681 HydrophobicContact CD2-CD 4.36Å; L266-K681 HydrophobicContact CD2-CG 3.62Å; L266-K681 HydrophobicContact CG-CG 4.15Å; W289-K681 HydrophobicContact CZ3-CB 4.34Å; W289-K681 HydrophobicContact CZ3-CD 4.16Å; W289-K681 HydrophobicContact CZ3-CG 4.2Å; H290-K681 WeakPolarHBondContact ND1-CE 3.36Å; Q677-K681 PolarHBondContact O-N 3.44Å; L678-K681 PolarHBondContact O-N 3.36Å; K681-K684 WeakPolarHBondContact O-CB 3.26Å; K681-K684 PolarHBondContact O-N 3.44Å; K681-A685 PolarHBondContact O-N 3.28Å
682	F	96.9	Very high	94.3	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-45.3	179.1	-179.2	-101.7	0	0	0	112	W289 L627 P628 T631 L662 L678 A679 E680 K684 A685 V686	W289-F682 HydrophobicContact CB-CD2 3.85Å; W289-F682 HydrophobicContact CB-CE2 4.06Å; W289-F682 AromaticContact CD2-CD2 3.99Å; W289-F682 HydrophobicContact CD2-CD2 3.99Å; W289-F682 HydrophobicContact CE3-CB 3.76Å; W289-F682 AromaticContact CE3-CD2 3.69Å; W289-F682 HydrophobicContact CE3-CD2 3.69Å; W289-F682 HydrophobicContact CE3-CG 4.23Å; W289-F682 HydrophobicContact CG-CD2 4.11Å; W289-F682 HydrophobicContact CZ3-CB 3.81Å; W289-F682 HydrophobicContact CZ3-CD2 4.45Å; L627-F682 HydrophobicContact CD2-CE1 3.75Å; L627-F682 HydrophobicContact CD2-CZ 4.14Å; P628-F682 HydrophobicContact CB-CZ 4.49Å; P628-F682 HydrophobicContact CG-CE2 3.99Å; P628-F682 HydrophobicContact CG-CZ 3.94Å; T631-F682 HydrophobicContact CG2-CE1 3.99Å; T631-F682 HydrophobicContact CG2-CZ 3.78Å; L662-F682 HydrophobicContact CB-CD2 4.21Å; L662-F682 HydrophobicContact CB-CE2 4.43Å; L662-F682 HydrophobicContact CD1-CB 4.12Å; L662-F682 HydrophobicContact CD1-CG 4.43Å; L662-F682 HydrophobicContact CD2-CB 4.2Å; L662-F682 HydrophobicContact CD2-CD1 3.84Å; L662-F682 HydrophobicContact CD2-CD2 3.95Å; L662-F682 HydrophobicContact CD2-CE1 4.11Å; L662-F682 HydrophobicContact CD2-CE2 4.23Å; L662-F682 HydrophobicContact CD2-CG 3.73Å; L662-F682 HydrophobicContact CD2-CZ 4.29Å; L662-F682 HydrophobicContact CG-CD2 4.47Å; L678-F682 VanDerWaalsContact O-CB 3.28Å; L678-F682 WeakPolarHBondContact O-CB 3.23Å; L678-F682 PolarHBondContact O-N 3.34Å; A679-F682 PolarHBondContact O-N 3.47Å; E680-F682 PolarHBondContact O-N 2.88Å; F682-K684 VanDerWaalsContact C-N 3.29Å; F682-K684 PolarHBondContact O-N 3.42Å; F682-A685 WeakPolarHBondContact O-CB 3.41Å; F682-A685 PolarHBondContact O-N 3.28Å; F682-V686 HydrophobicContact CD1-CG1 4.49Å; F682-V686 HydrophobicContact CE1-CG1 4.1Å; F682-V686 HydrophobicContact CE1-CG2 4.48Å; F682-V686 HydrophobicContact CE2-CG1 4.13Å; F682-V686 HydrophobicContact CZ-CG1 3.92Å; F682-V686 WeakPolarHBondContact O-CG2 3.43Å; F682-V686 PolarHBondContact O-N 2.71Å
683	V	95.9	Very high	94	Very high	22 Å²	22	38 Å²	38	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-41.2	175.2	168.4	0	0	0	0	111	I656 A679 E680 A685 V686 S687 I697 V699	I656-V683 HydrophobicContact CD1-CG2 3.59Å; A679-V683 WeakPolarHBondContact O-CB 3.41Å; A679-V683 WeakPolarHBondContact O-CG2 3.33Å; A679-V683 PolarHBondContact O-N 3.27Å; E680-V683 PolarHBondContact O-N 3.06Å; V683-A685 VanDerWaalsContact C-N 3.29Å; V683-A685 PolarHBondContact O-N 3.41Å; V683-V686 PolarHBondContact O-N 3.31Å; V683-S687 VanDerWaalsContact O-CB 3.29Å; V683-S687 WeakPolarHBondContact O-CB 3.49Å; V683-S687 PolarHBondContact O-N 3Å; V683-I697 VanDerWaalsContact CG1-O 3.26Å; V683-I697 WeakPolarHBondContact CG1-O 3.26Å; V683-I697 HydrophobicContact CG2-CB 4.5Å; V683-I697 HydrophobicContact CG2-CG2 3.87Å; V683-V699 HydrophobicContact CB-CG2 4.35Å; V683-V699 HydrophobicContact CG2-CG2 3.81Å
684	K	94.9	Very high	94	Very high	68 Å²	68	37 Å²	37	30%	0.296	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-39.5	174.2	-161.5	178.7	-163	-161	0	111.2	L266 Y268 D350 E680 K681 F682 S687	L266-K684 HydrophobicContact CD1-CB 3.8Å; L266-K684 HydrophobicContact CD1-CD 4.13Å; L266-K684 HydrophobicContact CD1-CG 3.86Å; Y268-K684 WeakPolarHBondContact OH-CD 3.28Å; Y268-K684 WeakPolarHBondContact OH-CE 3.25Å; Y268-K684 PolarHBondContact OH-NZ 2.95Å; D350-K684 IonicContact OD1-NZ 2.67Å; D350-K684 IonicContact OD2-NZ 3.15Å; D350-K684 PolarHBondContact OD2-NZ 3.42Å; E680-K684 PolarHBondContact O-N 3.09Å; K681-K684 WeakPolarHBondContact O-CB 3.26Å; K681-K684 PolarHBondContact O-N 3.44Å; F682-K684 VanDerWaalsContact C-N 3.29Å; F682-K684 PolarHBondContact O-N 3.42Å; K684-S687 PolarHBondContact O-OG 2.91Å
685	A	95.9	Very high	94.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70	-38.6	-179.9	0	0	0	0	0	113.6	L266 W289 K292 L316 K681 F682 V683	L266-A685 HydrophobicContact CD1-CB 3.91Å; L266-A685 HydrophobicContact CD2-CB 3.88Å; W289-A685 WeakPolarHBondContact O-CB 3.06Å; K292-A685 WeakPolarHBondContact CD-O 3.41Å; L316-A685 HydrophobicContact CD2-CB 3.88Å; K681-A685 PolarHBondContact O-N 3.28Å; F682-A685 WeakPolarHBondContact O-CB 3.41Å; F682-A685 PolarHBondContact O-N 3.28Å; V683-A685 VanDerWaalsContact C-N 3.29Å; V683-A685 PolarHBondContact O-N 3.41Å
686	V	96	Very high	93.9	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-89.6	-9.4	-179.7	-55.8	0	0	0	0	113.8	L316 L627 P628 F682 V683 I697	L316-V686 HydrophobicContact CD2-CG1 3.9Å; L627-V686 HydrophobicContact CD2-CG2 4.44Å; P628-V686 HydrophobicContact CG-CG1 3.75Å; F682-V686 HydrophobicContact CD1-CG1 4.49Å; F682-V686 HydrophobicContact CE1-CG1 4.1Å; F682-V686 HydrophobicContact CE1-CG2 4.48Å; F682-V686 HydrophobicContact CE2-CG1 4.13Å; F682-V686 HydrophobicContact CZ-CG1 3.92Å; F682-V686 WeakPolarHBondContact O-CG2 3.43Å; F682-V686 PolarHBondContact O-N 2.71Å; V683-V686 PolarHBondContact O-N 3.31Å; V686-I697 HydrophobicContact CG2-CD1 4.42Å
687	S	93.7	Very high	93.9	Very high	43 Å²	43	38 Å²	38	30%	0.301	21%	0.205	S	C	.	.			trans	-61.8	140.4	-179.8	67.2	0	0	0	0	111.1	K292 V683 K684	K292-S687 PolarHBondContact NZ-O 3.29Å; V683-S687 VanDerWaalsContact O-CB 3.29Å; V683-S687 WeakPolarHBondContact O-CB 3.49Å; V683-S687 PolarHBondContact O-N 3Å; K684-S687 PolarHBondContact O-OG 2.91Å
688	K	93	Very high	93.8	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.135	20%	0.203	C	C	.	.			trans	-125.5	75.4	177.6	-61.9	-169.3	175.1	-172.5	0	112.2	E315 E318 E626 S690 R691 M694	E315-K688 WeakPolarHBondContact O-CE 3.49Å; E318-K688 VanDerWaalsContact OE1-CA 3.31Å; E318-K688 WeakPolarHBondContact OE1-CA 3.41Å; E318-K688 WeakPolarHBondContact OE2-CA 3.42Å; E626-K688 IonicContact OE2-NZ 3.69Å; E626-K688 PolarHBondContact OE2-NZ 3.13Å; K688-S690 PolarHBondContact O-N 3.49Å; K688-R691 HydrophobicContact CB-CB 4.16Å; K688-R691 HydrophobicContact CB-CG 4.38Å; K688-R691 PolarHBondContact O-N 2.93Å; K688-M694 HydrophobicContact CB-SD 4.16Å; K688-M694 HydrophobicContact CD-CE 4.23Å; K688-M694 HydrophobicContact CD-SD 3.88Å; K688-M694 HydrophobicContact CG-SD 4.49Å
689	P	90.5	Very high	93.9	Very high	70 Å²	70	39.3 Å²	39.3	46%	0.455	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.4	-173.4	-28.7	44	0	0	0	114.4	E318 N348 R691	E318-P689 WeakPolarHBondContact OE1-CD 2.95Å; E318-P689 VanDerWaalsContact OE1-N 3.13Å; E318-P689 WeakPolarHBondContact OE2-CD 3.36Å; N348-P689 VanDerWaalsContact OD1-CG 3.23Å; N348-P689 WeakPolarHBondContact OD1-CG 3.29Å; P689-R691 PolarHBondContact O-N 2.85Å
690	S	89.6	Confident	93.7	Very high	21 Å²	21	39.7 Å²	39.7	15%	0.147	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.2	171.7	66.6	0	0	0	0	113.9	E318 K688 P692	E318-S690 WeakPolarHBondContact OE1-CB 3.47Å; E318-S690 PolarHBondContact OE1-N 3.43Å; E318-S690 PolarHBondContact OE1-OG 3.12Å; K688-S690 PolarHBondContact O-N 3.49Å; S690-P692 VanDerWaalsContact C-CD 3.45Å; S690-P692 WeakPolarHBondContact O-CD 3.44Å
691	R	90.7	Very high	93.6	Very high	62 Å²	62	38 Å²	38	23%	0.234	20%	0.203	C	C	.	.			trans	-115.6	74.1	-175.9	-66.7	-63.5	-57.5	-78.1	-9.8	111.4	K688 P689 D693 M694	K688-R691 HydrophobicContact CB-CB 4.16Å; K688-R691 HydrophobicContact CB-CG 4.38Å; K688-R691 PolarHBondContact O-N 2.93Å; P689-R691 PolarHBondContact O-N 2.85Å; R691-D693 WeakPolarHBondContact CA-OD1 3.39Å; R691-D693 IonicContact CZ-OD1 2.71Å; R691-D693 IonicContact CZ-OD2 3.1Å; R691-D693 IonicContact NE-OD1 3.34Å; R691-D693 PolarHBondContact NE-OD1 3.48Å; R691-D693 IonicContact NE-OD2 3.7Å; R691-D693 IonicContact NH2-OD1 3.78Å; R691-D693 IonicContact NH2-OD2 3.89Å; R691-D693 PolarHBondContact NH2-OD2 2.69Å; R691-D693 PolarHBondContact O-N 3.43Å; R691-D693 VanDerWaalsContact O-N 3.1Å; R691-M694 HydrophobicContact CB-CB 4.48Å; R691-M694 HydrophobicContact CB-CG 3.91Å; R691-M694 HydrophobicContact CB-SD 3.73Å; R691-M694 HydrophobicContact CG-SD 4.23Å; R691-M694 PolarHBondContact O-N 3.35Å
692	P	87.4	Confident	93.6	Very high	119 Å²	119	39.8 Å²	39.8	77%	0.773	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.6	-179.4	29.3	-36.7	0	0	0	113.4	S690 M694	S690-P692 VanDerWaalsContact C-CD 3.45Å; S690-P692 WeakPolarHBondContact O-CD 3.44Å; P692-M694 VanDerWaalsContact C-N 3.32Å
693	D	90.2	Very high	93.6	Very high	68 Å²	68	40.5 Å²	40.5	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.8	174.3	65.5	-61.1	0	0	0	113.6	K624 R691	K624-D693 WeakPolarHBondContact CD-OD2 3.44Å; K624-D693 WeakPolarHBondContact CE-OD2 3.49Å; K624-D693 IonicContact NZ-OD2 2.63Å; K624-D693 PolarHBondContact NZ-OD2 3.41Å; R691-D693 WeakPolarHBondContact CA-OD1 3.39Å; R691-D693 IonicContact CZ-OD1 2.71Å; R691-D693 IonicContact CZ-OD2 3.1Å; R691-D693 IonicContact NE-OD1 3.34Å; R691-D693 PolarHBondContact NE-OD1 3.48Å; R691-D693 IonicContact NE-OD2 3.7Å; R691-D693 IonicContact NH2-OD1 3.78Å; R691-D693 IonicContact NH2-OD2 3.89Å; R691-D693 PolarHBondContact NH2-OD2 2.69Å; R691-D693 PolarHBondContact O-N 3.43Å; R691-D693 VanDerWaalsContact O-N 3.1Å
694	M	93.1	Very high	93.6	Very high	26 Å²	26	44 Å²	44	13%	0.128	23%	0.228	C	C	.	.	S	Bend	trans	-82.8	145.6	179.4	-69.4	-179	71.6	0	0	112.6	K624 E626 K688 R691 P692	K624-M694 HydrophobicContact CG-CG 4.48Å; K624-M694 CarbonylContact O-C 3.57Å; K624-M694 WeakPolarHBondContact O-CA 3.46Å; K624-M694 WeakPolarHBondContact O-CB 3.42Å; E626-M694 HydrophobicContact CB-CE 4.06Å; E626-M694 HydrophobicContact CG-CE 3.89Å; K688-M694 HydrophobicContact CB-SD 4.16Å; K688-M694 HydrophobicContact CD-CE 4.23Å; K688-M694 HydrophobicContact CD-SD 3.88Å; K688-M694 HydrophobicContact CG-SD 4.49Å; R691-M694 HydrophobicContact CB-CB 4.48Å; R691-M694 HydrophobicContact CB-CG 3.91Å; R691-M694 HydrophobicContact CB-SD 3.73Å; R691-M694 HydrophobicContact CG-SD 4.23Å; R691-M694 PolarHBondContact O-N 3.35Å; P692-M694 VanDerWaalsContact C-N 3.32Å
695	N	95.1	Very high	93.6	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.16	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-72.1	130.6	173.4	-68.9	98.2	0	0	0	110.4	L623 K624 T625 S652	L623-N695 HydrophobicContact CB-CB 4.07Å; L623-N695 HydrophobicContact CD1-CB 4.45Å; L623-N695 HydrophobicContact CD2-CB 4.47Å; K624-N695 PolarHBondContact N-OD1 3.44Å; K624-N695 PolarHBondContact O-N 2.67Å; T625-N695 PolarHBondContact OG1-O 3.25Å; S652-N695 PolarHBondContact O-ND2 3.23Å
696	P	93.7	Very high	93.6	Very high	26 Å²	26	41.7 Å²	41.7	17%	0.169	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-75.9	150.1	-174.2	29.7	-34.4	0	0	0	112.4	I651 A653 I654	I651-P696 HydrophobicContact CD1-CG 4.39Å; A653-P696 WeakPolarHBondContact CA-O 3.41Å; A653-P696 HydrophobicContact CB-CG 3.75Å; I654-P696 PolarHBondContact N-O 2.97Å
697	I	95.5	Very high	93.5	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.9	167.5	-49	-176.7	0	0	0	107.1	L627 I654 I656 V683 V686	L627-I697 HydrophobicContact CD1-CD1 4.32Å; L627-I697 HydrophobicContact CD2-CD1 3.54Å; L627-I697 HydrophobicContact CG-CD1 3.89Å; I654-I697 HydrophobicContact CB-CG1 4.36Å; I654-I697 HydrophobicContact CB-CG2 4.28Å; I654-I697 HydrophobicContact CD1-CD1 4.45Å; I654-I697 HydrophobicContact CD1-CG1 4.24Å; I654-I697 HydrophobicContact CG2-CG2 4.26Å; I654-I697 CarbonylContact O-C 3.51Å; I654-I697 WeakPolarHBondContact O-CA 3.34Å; I656-I697 HydrophobicContact CD1-CG2 3.83Å; I656-I697 HydrophobicContact CG1-CG2 4.09Å; V683-I697 VanDerWaalsContact CG1-O 3.26Å; V683-I697 WeakPolarHBondContact CG1-O 3.26Å; V683-I697 HydrophobicContact CG2-CB 4.5Å; V683-I697 HydrophobicContact CG2-CG2 3.87Å; V686-I697 HydrophobicContact CG2-CD1 4.42Å
698	R	94.5	Very high	93.6	Very high	97 Å²	97	41.1 Å²	41.1	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.6	-177.5	-58.6	-62.5	-160.9	-179.5	8.1	109.3	I654 H655 I656 D735	I654-R698 PolarHBondContact O-N 3.43Å; H655-R698 CarbonylContact C-O 3.4Å; H655-R698 WeakPolarHBondContact CA-O 3.16Å; I656-R698 PolarHBondContact N-O 3.28Å; R698-D735 IonicContact CZ-OD2 3.31Å; R698-D735 IonicContact NH2-OD2 2.67Å; R698-D735 PolarHBondContact NH2-OD2 3.48Å
699	V	96.2	Very high	93.6	Very high	30 Å²	30	44.4 Å²	44.4	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.6	164.7	-174.2	0	0	0	0	108	I656 I676 A679 E680 V683	I656-V699 HydrophobicContact CD1-CG2 4.42Å; I676-V699 HydrophobicContact CG2-CG1 3.95Å; A679-V699 HydrophobicContact CB-CG1 4.17Å; A679-V699 HydrophobicContact CB-CG2 3.79Å; E680-V699 HydrophobicContact CB-CG2 4.46Å; E680-V699 HydrophobicContact CG-CB 4Å; E680-V699 HydrophobicContact CG-CG1 4.13Å; E680-V699 HydrophobicContact CG-CG2 3.91Å; V683-V699 HydrophobicContact CB-CG2 4.35Å; V683-V699 HydrophobicContact CG2-CG2 3.81Å
700	K	93.9	Very high	93.8	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.035	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-60.8	141.3	175.6	-77.7	-112.1	-175.4	-167.9	0	110.2	M590 V591 E636 H655 I656 L657 V702	M590-K700 HydrophobicContact CG-CB 4.38Å; M590-K700 HydrophobicContact SD-CB 3.97Å; V591-K700 VanDerWaalsContact O-CD 3.25Å; V591-K700 WeakPolarHBondContact O-CD 3.33Å; V591-K700 WeakPolarHBondContact O-CE 3.37Å; V591-K700 PolarHBondContact O-NZ 3.49Å; E636-K700 VanDerWaalsContact CD-NZ 3.3Å; E636-K700 IonicContact OE1-NZ 3.85Å; E636-K700 PolarHBondContact OE1-NZ 3.42Å; E636-K700 VanDerWaalsContact OE2-CE 3.28Å; E636-K700 WeakPolarHBondContact OE2-CE 3.18Å; E636-K700 IonicContact OE2-NZ 2.68Å; E636-K700 PolarHBondContact OE2-NZ 3Å; H655-K700 HydrophobicContact CB-CG 4.08Å; I656-K700 WeakPolarHBondContact O-CB 3.45Å; I656-K700 WeakPolarHBondContact O-CG 3.48Å; I656-K700 PolarHBondContact O-N 3.01Å; L657-K700 HydrophobicContact CD2-CB 4.5Å; L657-K700 HydrophobicContact CD2-CD 3.83Å; L657-K700 HydrophobicContact CD2-CG 3.83Å; K700-V702 PolarHBondContact O-N 2.85Å
701	E	93.6	Very high	94.1	Very high	43 Å²	43	44.5 Å²	44.5	20%	0.201	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.1	121.4	174.6	-167.5	158.1	-156.9	0	0	110.1	Y703 R714 R734	E701-Y703 HydrophobicContact CB-CE2 3.94Å; E701-Y703 VanDerWaalsContact CD-OH 3.32Å; E701-Y703 HydrophobicContact CG-CD2 4.37Å; E701-Y703 HydrophobicContact CG-CE2 3.64Å; E701-Y703 PolarHBondContact OE2-OH 2.81Å; E701-R714 VanDerWaalsContact CD-NH1 3.33Å; E701-R714 IonicContact OE1-NH1 2.73Å; E701-R714 PolarHBondContact OE1-NH1 2.89Å; E701-R714 IonicContact OE2-CZ 3.78Å; E701-R714 VanDerWaalsContact OE2-CZ 3.22Å; E701-R714 IonicContact OE2-NH1 2.78Å; E701-R714 PolarHBondContact OE2-NH1 3.28Å; E701-R714 IonicContact OE2-NH2 3.62Å; E701-R714 PolarHBondContact OE2-NH2 2.8Å; E701-R734 IonicContact OE1-CZ 3.36Å; E701-R734 IonicContact OE1-NE 2.83Å; E701-R734 PolarHBondContact OE1-NE 2.83Å; E701-R734 IonicContact OE1-NH2 3.9Å; E701-R734 PolarHBondContact OE1-NH2 3.19Å; E701-R734 VanDerWaalsContact OE1-NH2 3.14Å; E701-R734 IonicContact OE2-NE 3.38Å
702	V	95.6	Very high	94.3	Very high	41 Å²	41	42 Å²	42	25%	0.248	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-98.9	122.2	-178.1	177.9	0	0	0	0	109.3	R588 M590 F672 I676 K700	R588-V702 HydrophobicContact CB-CG1 3.77Å; R588-V702 HydrophobicContact CG-CG1 4.04Å; M590-V702 HydrophobicContact CG-CG2 3.9Å; M590-V702 HydrophobicContact SD-CG2 3.86Å; F672-V702 HydrophobicContact CE1-CG1 3.78Å; F672-V702 HydrophobicContact CE1-CG2 4.19Å; F672-V702 HydrophobicContact CZ-CG2 4.33Å; I676-V702 HydrophobicContact CD1-CG2 4.08Å; I676-V702 HydrophobicContact CG1-CG2 4.01Å; I676-V702 HydrophobicContact CG2-CG2 3.93Å; K700-V702 PolarHBondContact O-N 2.85Å
703	Y	96.4	Very high	94.5	Very high	16 Å²	16	42.1 Å²	42.1	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.3	175.4	-64.1	-93.9	0	0	0	110.4	R588 C589 E701 K710 I711 R714 Y731	R588-Y703 CarbonylContact C-O 3.51Å; R588-Y703 VanDerWaalsContact CA-O 3.25Å; R588-Y703 WeakPolarHBondContact CA-O 3.24Å; R588-Y703 WeakPolarHBondContact CD-O 3.35Å; C589-Y703 PolarHBondContact N-O 2.82Å; C589-Y703 PolarHBondContact O-N 2.88Å; E701-Y703 HydrophobicContact CB-CE2 3.94Å; E701-Y703 VanDerWaalsContact CD-OH 3.32Å; E701-Y703 HydrophobicContact CG-CD2 4.37Å; E701-Y703 HydrophobicContact CG-CE2 3.64Å; E701-Y703 PolarHBondContact OE2-OH 2.81Å; Y703-K710 HydrophobicContact CD1-CB 4.19Å; Y703-K710 HydrophobicContact CE1-CB 4.02Å; Y703-I711 HydrophobicContact CD1-CG1 3.98Å; Y703-I711 HydrophobicContact CD2-CD1 3.62Å; Y703-I711 HydrophobicContact CD2-CG1 3.57Å; Y703-I711 HydrophobicContact CE1-CG1 4.11Å; Y703-I711 HydrophobicContact CE2-CD1 4.16Å; Y703-I711 HydrophobicContact CE2-CG1 3.69Å; Y703-I711 HydrophobicContact CG-CD1 3.86Å; Y703-I711 HydrophobicContact CG-CG1 3.71Å; Y703-R714 PolarHBondContact OH-NH1 2.68Å; Y703-Y731 WeakPolarHBondContact CE2-OH 3.48Å; Y703-Y731 PolarHBondContact OH-OH 3.16Å
704	R	95.9	Very high	94.7	Very high	97 Å²	97	41.3 Å²	41.3	37%	0.366	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.7	164.2	-57.3	-173.3	-74.4	-174.4	1.8	108.4	E706 E707 M708	R704-E706 VanDerWaalsContact CB-CD 3.48Å; R704-E706 HydrophobicContact CB-CG 4.41Å; R704-E706 WeakPolarHBondContact CB-OE1 3.29Å; R704-E706 WeakPolarHBondContact CB-OE2 3.29Å; R704-E706 WeakPolarHBondContact CD-OE1 3.43Å; R704-E706 IonicContact NE-OE1 3.43Å; R704-E706 PolarHBondContact O-N 3.05Å; R704-E707 HydrophobicContact CB-CB 4.45Å; R704-E707 HydrophobicContact CB-CG 4.24Å; R704-E707 IonicContact CZ-OE1 3.39Å; R704-E707 IonicContact CZ-OE2 3.95Å; R704-E707 VanDerWaalsContact NE-CD 3.28Å; R704-E707 IonicContact NE-OE1 2.73Å; R704-E707 IonicContact NE-OE2 2.75Å; R704-E707 PolarHBondContact NE-OE2 2.86Å; R704-E707 IonicContact NH2-OE1 3.4Å; R704-E707 PolarHBondContact NH2-OE1 2.98Å; R704-E707 IonicContact NH2-OE2 2.65Å; R704-E707 PolarHBondContact NH2-OE2 3.5Å; R704-E707 VanDerWaalsContact NH2-OE2 3.16Å; R704-E707 CarbonylContact O-C 3.56Å; R704-E707 PolarHBondContact O-N 3.27Å; R704-M708 PolarHBondContact O-N 3.03Å
705	L	95.9	Very high	94.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.6	-37.5	-175.3	-178.8	59	0	0	0	111.2	I581 V584 Y587 E707 M708 I746 I826	I581-L705 HydrophobicContact CG2-CD2 3.5Å; V584-L705 HydrophobicContact CG1-CB 4.09Å; V584-L705 HydrophobicContact CG1-CD2 4.11Å; V584-L705 HydrophobicContact CG1-CG 3.94Å; Y587-L705 HydrophobicContact CD2-CD2 4.35Å; Y587-L705 HydrophobicContact CG-CD2 4.08Å; Y587-L705 PolarHBondContact O-N 3.44Å; L705-E707 PolarHBondContact O-N 3.32Å; L705-E707 VanDerWaalsContact O-N 3.12Å; L705-M708 HydrophobicContact CD1-CE 3.28Å; L705-M708 HydrophobicContact CD1-SD 4.31Å; L705-M708 VanDerWaalsContact O-CB 3.26Å; L705-M708 WeakPolarHBondContact O-CB 3.41Å; L705-M708 PolarHBondContact O-N 3.38Å; L705-M708 VanDerWaalsContact O-N 3.16Å; L705-I746 HydrophobicContact CD1-CD1 4.27Å; L705-I746 HydrophobicContact CD1-CG2 4.36Å; L705-I746 HydrophobicContact CD2-CG2 4.15Å; L705-I826 HydrophobicContact CD1-CD1 3.81Å; L705-I826 HydrophobicContact CG-CD1 4.07Å; L705-I826 HydrophobicContact CG-CG1 4.48Å
706	E	94.8	Very high	94.7	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.8	-8	175.2	71.3	-82.7	-164	0	0	114.6	V584 L585 R704 K765 Y830	V584-E706 HydrophobicContact CG1-CB 3.83Å; L585-E706 HydrophobicContact CD2-CB 4.48Å; L585-E706 HydrophobicContact CD2-CG 4.02Å; L585-E706 WeakPolarHBondContact CD2-OE1 3.5Å; R704-E706 VanDerWaalsContact CB-CD 3.48Å; R704-E706 HydrophobicContact CB-CG 4.41Å; R704-E706 WeakPolarHBondContact CB-OE1 3.29Å; R704-E706 WeakPolarHBondContact CB-OE2 3.29Å; R704-E706 WeakPolarHBondContact CD-OE1 3.43Å; R704-E706 IonicContact NE-OE1 3.43Å; R704-E706 PolarHBondContact O-N 3.05Å; E706-K765 IonicContact OE1-NZ 2.74Å; E706-K765 PolarHBondContact OE1-NZ 3.21Å; E706-Y830 HydrophobicContact CB-CD1 3.51Å; E706-Y830 HydrophobicContact CB-CE1 3.67Å; E706-Y830 HydrophobicContact CB-CG 4.09Å; E706-Y830 HydrophobicContact CG-CD1 4.16Å; E706-Y830 HydrophobicContact CG-CE1 3.79Å
707	E	94.7	Very high	94.7	Very high	41 Å²	41	44.8 Å²	44.8	19%	0.192	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-117	18.8	176.7	-57.1	-173.3	128.6	0	0	112	R704 L705 E709 K710	R704-E707 HydrophobicContact CB-CB 4.45Å; R704-E707 HydrophobicContact CB-CG 4.24Å; R704-E707 IonicContact CZ-OE1 3.39Å; R704-E707 IonicContact CZ-OE2 3.95Å; R704-E707 VanDerWaalsContact NE-CD 3.28Å; R704-E707 IonicContact NE-OE1 2.73Å; R704-E707 IonicContact NE-OE2 2.75Å; R704-E707 PolarHBondContact NE-OE2 2.86Å; R704-E707 IonicContact NH2-OE1 3.4Å; R704-E707 PolarHBondContact NH2-OE1 2.98Å; R704-E707 IonicContact NH2-OE2 2.65Å; R704-E707 PolarHBondContact NH2-OE2 3.5Å; R704-E707 VanDerWaalsContact NH2-OE2 3.16Å; R704-E707 CarbonylContact O-C 3.56Å; R704-E707 PolarHBondContact O-N 3.27Å; L705-E707 PolarHBondContact O-N 3.32Å; L705-E707 VanDerWaalsContact O-N 3.12Å; E707-E709 PolarHBondContact O-N 3.42Å; E707-E709 VanDerWaalsContact O-N 3.1Å; E707-K710 HydrophobicContact CB-CD 4.09Å; E707-K710 WeakPolarHBondContact O-CB 3.07Å; E707-K710 WeakPolarHBondContact O-CG 3.4Å; E707-K710 PolarHBondContact O-N 3.28Å; E707-K710 IonicContact OE1-NZ 3.21Å; E707-K710 PolarHBondContact OE1-NZ 2.87Å; E707-K710 IonicContact OE2-NZ 3.72Å; E707-K710 PolarHBondContact OE2-NZ 3.48Å; E707-K710 VanDerWaalsContact OE2-NZ 3.17Å
708	M	94.3	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.5	-177.5	176.8	177.1	-78.7	0	0	112.9	C589 R704 L705 K710 I711 F712 L744 I746 W797 V822 I826	C589-M708 HydrophobicContact CB-CE 3.78Å; C589-M708 VanDerWaalsContact SG-CE 3.56Å; R704-M708 PolarHBondContact O-N 3.03Å; L705-M708 HydrophobicContact CD1-CE 3.28Å; L705-M708 HydrophobicContact CD1-SD 4.31Å; L705-M708 VanDerWaalsContact O-CB 3.26Å; L705-M708 WeakPolarHBondContact O-CB 3.41Å; L705-M708 PolarHBondContact O-N 3.38Å; L705-M708 VanDerWaalsContact O-N 3.16Å; M708-K710 PolarHBondContact O-N 3.37Å; M708-K710 VanDerWaalsContact O-N 3.11Å; M708-I711 HydrophobicContact CG-CD1 4.28Å; M708-I711 VanDerWaalsContact O-CB 3.25Å; M708-I711 WeakPolarHBondContact O-CB 3.49Å; M708-I711 PolarHBondContact O-N 3.07Å; M708-F712 HydrophobicContact CG-CE2 3.78Å; M708-F712 HydrophobicContact CG-CZ 4.13Å; M708-F712 HydrophobicContact SD-CE2 4.33Å; M708-F712 HydrophobicContact SD-CZ 4.23Å; M708-L744 HydrophobicContact CE-CD1 3.87Å; M708-L744 HydrophobicContact CE-CD2 3.28Å; M708-L744 HydrophobicContact CE-CG 4.21Å; M708-L744 HydrophobicContact SD-CD2 4.46Å; M708-I746 HydrophobicContact CE-CD1 4.31Å; M708-I746 HydrophobicContact CE-CG1 4.38Å; M708-W797 HydrophobicContact SD-CZ3 4.45Å; M708-V822 HydrophobicContact SD-CG1 4Å; M708-I826 HydrophobicContact CB-CD1 4.41Å; M708-I826 HydrophobicContact SD-CD1 4.09Å
709	E	94.1	Very high	94.2	Very high	99 Å²	99	42.6 Å²	42.6	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-50.4	-33.9	173.3	62.1	-158.8	-155.5	0	0	113.9	E707 I711 F712 V713 L823	E707-E709 PolarHBondContact O-N 3.42Å; E707-E709 VanDerWaalsContact O-N 3.1Å; E709-I711 PolarHBondContact O-N 3.44Å; E709-F712 PolarHBondContact O-N 3.42Å; E709-V713 PolarHBondContact O-N 3.2Å; E709-L823 HydrophobicContact CB-CD2 4.24Å
710	K	94.5	Very high	93.8	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-23.9	177.4	-62.4	179.7	-173.4	172.2	0	113.1	Y703 E707 M708	Y703-K710 HydrophobicContact CD1-CB 4.19Å; Y703-K710 HydrophobicContact CE1-CB 4.02Å; E707-K710 HydrophobicContact CB-CD 4.09Å; E707-K710 WeakPolarHBondContact O-CB 3.07Å; E707-K710 WeakPolarHBondContact O-CG 3.4Å; E707-K710 PolarHBondContact O-N 3.28Å; E707-K710 IonicContact OE1-NZ 3.21Å; E707-K710 PolarHBondContact OE1-NZ 2.87Å; E707-K710 IonicContact OE2-NZ 3.72Å; E707-K710 PolarHBondContact OE2-NZ 3.48Å; E707-K710 VanDerWaalsContact OE2-NZ 3.17Å; M708-K710 PolarHBondContact O-N 3.37Å; M708-K710 VanDerWaalsContact O-N 3.11Å
711	I	95.1	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-46.5	177	-65.2	176.9	0	0	0	110.1	V591 Y703 M708 E709 V713 R714 Y731 L744 W799	V591-I711 HydrophobicContact CG2-CB 4.48Å; V591-I711 HydrophobicContact CG2-CD1 4.18Å; V591-I711 HydrophobicContact CG2-CG1 4.37Å; V591-I711 HydrophobicContact CG2-CG2 3.38Å; Y703-I711 HydrophobicContact CD1-CG1 3.98Å; Y703-I711 HydrophobicContact CD2-CD1 3.62Å; Y703-I711 HydrophobicContact CD2-CG1 3.57Å; Y703-I711 HydrophobicContact CE1-CG1 4.11Å; Y703-I711 HydrophobicContact CE2-CD1 4.16Å; Y703-I711 HydrophobicContact CE2-CG1 3.69Å; Y703-I711 HydrophobicContact CG-CD1 3.86Å; Y703-I711 HydrophobicContact CG-CG1 3.71Å; M708-I711 HydrophobicContact CG-CD1 4.28Å; M708-I711 VanDerWaalsContact O-CB 3.25Å; M708-I711 WeakPolarHBondContact O-CB 3.49Å; M708-I711 PolarHBondContact O-N 3.07Å; E709-I711 PolarHBondContact O-N 3.44Å; I711-V713 VanDerWaalsContact C-N 3.26Å; I711-V713 PolarHBondContact O-N 3.34Å; I711-R714 PolarHBondContact O-N 3.36Å; I711-Y731 HydrophobicContact CG2-CD2 4.39Å; I711-Y731 HydrophobicContact CG2-CE2 4.07Å; I711-L744 HydrophobicContact CD1-CD1 3.43Å; I711-L744 VanDerWaalsContact CD1-CD1 3.43Å; I711-W799 HydrophobicContact CG2-CH2 4.1Å
712	F	95.1	Very high	92.6	Very high	11 Å²	11	52 Å²	52	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-25.9	-174.6	-53.7	-72.9	0	0	0	112.7	M708 E709 R714 L715 W797 W799 V805 K819 L823	M708-F712 HydrophobicContact CG-CE2 3.78Å; M708-F712 HydrophobicContact CG-CZ 4.13Å; M708-F712 HydrophobicContact SD-CE2 4.33Å; M708-F712 HydrophobicContact SD-CZ 4.23Å; E709-F712 PolarHBondContact O-N 3.42Å; F712-R714 PolarHBondContact O-N 2.8Å; F712-L715 HydrophobicContact CB-CD1 4.46Å; F712-L715 HydrophobicContact CD1-CD1 3.76Å; F712-L715 PolarHBondContact O-N 2.92Å; F712-W797 HydrophobicContact CE1-CH2 4.03Å; F712-W797 HydrophobicContact CE1-CZ3 4.01Å; F712-W797 AromaticContact CZ-CH2 3.94Å; F712-W797 HydrophobicContact CZ-CH2 3.94Å; F712-W797 AromaticContact CZ-CZ3 3.75Å; F712-W797 HydrophobicContact CZ-CZ3 3.75Å; F712-W799 HydrophobicContact CE1-CH2 4.43Å; F712-W799 AromaticContact CE1-CZ2 4Å; F712-W799 HydrophobicContact CE1-CZ2 4Å; F712-V805 HydrophobicContact CD1-CB 4.25Å; F712-V805 HydrophobicContact CE1-CB 4.08Å; F712-V805 HydrophobicContact CE1-CG1 4.29Å; F712-K819 HydrophobicContact CB-CD 4.07Å; F712-K819 HydrophobicContact CD1-CB 4.44Å; F712-K819 HydrophobicContact CD1-CD 3.77Å; F712-K819 HydrophobicContact CD1-CG 4.06Å; F712-K819 HydrophobicContact CD2-CD 3.96Å; F712-K819 HydrophobicContact CD2-CG 4Å; F712-K819 HydrophobicContact CE1-CB 4.02Å; F712-K819 HydrophobicContact CE1-CD 4.15Å; F712-K819 HydrophobicContact CE1-CG 3.92Å; F712-K819 HydrophobicContact CE2-CD 4.32Å; F712-K819 HydrophobicContact CE2-CG 3.86Å; F712-K819 HydrophobicContact CG-CD 3.67Å; F712-K819 HydrophobicContact CG-CG 4.1Å; F712-K819 HydrophobicContact CZ-CB 4.13Å; F712-K819 HydrophobicContact CZ-CD 4.41Å; F712-K819 HydrophobicContact CZ-CG 3.81Å; F712-L823 HydrophobicContact CD2-CD1 4.21Å; F712-L823 HydrophobicContact CE2-CD1 4.07Å; F712-L823 HydrophobicContact CE2-CD2 3.95Å; F712-L823 HydrophobicContact CE2-CG 4.04Å
713	V	93.1	Very high	91.8	Very high	120 Å²	120	51 Å²	51	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	172.8	-179.5	0	0	0	0	112.1	E709 I711	E709-V713 PolarHBondContact O-N 3.2Å; I711-V713 VanDerWaalsContact C-N 3.26Å; I711-V713 PolarHBondContact O-N 3.34Å
714	R	93.8	Very high	91	Very high	52 Å²	52	54 Å²	54	20%	0.196	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	5.7	-179.1	-62.5	175.5	63.2	178.4	-29.1	113.2	E701 Y703 I711 F712 Y731 T732 G733	E701-R714 VanDerWaalsContact CD-NH1 3.33Å; E701-R714 IonicContact OE1-NH1 2.73Å; E701-R714 PolarHBondContact OE1-NH1 2.89Å; E701-R714 IonicContact OE2-CZ 3.78Å; E701-R714 VanDerWaalsContact OE2-CZ 3.22Å; E701-R714 IonicContact OE2-NH1 2.78Å; E701-R714 PolarHBondContact OE2-NH1 3.28Å; E701-R714 IonicContact OE2-NH2 3.62Å; E701-R714 PolarHBondContact OE2-NH2 2.8Å; Y703-R714 PolarHBondContact OH-NH1 2.68Å; I711-R714 PolarHBondContact O-N 3.36Å; F712-R714 PolarHBondContact O-N 2.8Å; R714-Y731 HydrophobicContact CB-CD2 4.06Å; R714-Y731 HydrophobicContact CB-CE2 3.8Å; R714-Y731 PolarHBondContact NH2-OH 3.49Å; R714-T732 PolarHBondContact NE-O 3.2Å; R714-T732 PolarHBondContact NH2-O 2.73Å; R714-T732 PolarHBondContact O-N 2.83Å; R714-T732 VanDerWaalsContact O-N 3.1Å; R714-G733 PolarHBondContact NH2-O 2.93Å
715	L	94.9	Very high	90.3	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.5	173.7	-65.4	178	0	0	0	109.8	F712 L729 S730 Y731 P741 W799 V805 H806	F712-L715 HydrophobicContact CB-CD1 4.46Å; F712-L715 HydrophobicContact CD1-CD1 3.76Å; F712-L715 PolarHBondContact O-N 2.92Å; L715-L729 HydrophobicContact CB-CD1 3.97Å; L715-L729 HydrophobicContact CD1-CD1 4.37Å; L715-L729 HydrophobicContact CD1-CD2 4.46Å; L715-L729 HydrophobicContact CD2-CD1 4.42Å; L715-L729 HydrophobicContact CD2-CD2 4.48Å; L715-L729 HydrophobicContact CD2-CG 4.31Å; L715-L729 HydrophobicContact CG-CD1 4.49Å; L715-S730 WeakPolarHBondContact CA-O 3.38Å; L715-Y731 HydrophobicContact CD2-CD2 3.94Å; L715-Y731 HydrophobicContact CD2-CG 4.38Å; L715-P741 HydrophobicContact CD2-CG 4.16Å; L715-W799 HydrophobicContact CD1-CH2 3.94Å; L715-W799 HydrophobicContact CD1-CZ3 3.88Å; L715-W799 HydrophobicContact CD2-CH2 4.38Å; L715-W799 HydrophobicContact CD2-CZ3 3.83Å; L715-W799 HydrophobicContact CG-CZ3 4.49Å; L715-V805 HydrophobicContact CD1-CB 4.43Å; L715-V805 HydrophobicContact CD1-CG2 4.13Å; L715-H806 PolarHBondContact O-CD2 3.48Å; L715-H806 VanDerWaalsContact O-CD2 3.28Å; L715-H806 PolarHBondContact O-NE2 3.4Å
716	E	93.6	Very high	89.7	Confident	84 Å²	84	56.7 Å²	56.7	39%	0.393	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.9	-179.1	-65.8	173.3	171	0	0	109.5	K718 S730 T732	E716-K718 HydrophobicContact CB-CG 4.31Å; E716-K718 WeakPolarHBondContact OE2-CE 3.32Å; E716-K718 IonicContact OE2-NZ 2.71Å; E716-K718 PolarHBondContact OE2-NZ 2.81Å; E716-S730 PolarHBondContact N-O 3.1Å; E716-S730 WeakPolarHBondContact O-CB 3.22Å; E716-S730 PolarHBondContact O-N 3.2Å; E716-T732 PolarHBondContact OE2-OG1 2.9Å
717	M	92.3	Very high	89.4	Confident	66 Å²	66	58.7 Å²	58.7	33%	0.325	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	109.3	171.8	-65.2	-61.1	-64.7	0	0	109.2	P727 L729	M717-P727 HydrophobicContact CB-CB 3.95Å; M717-P727 HydrophobicContact CE-CB 4.04Å; M717-P727 VanDerWaalsContact CE-O 3.23Å; M717-P727 WeakPolarHBondContact CE-O 3.43Å; M717-L729 HydrophobicContact SD-CB 4.23Å; M717-L729 HydrophobicContact SD-CD1 4.09Å
718	K	91.2	Very high	89.2	Confident	24 Å²	24	63.4 Å²	63.4	10%	0.104	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.3	-176.8	-66.2	-169.4	162.7	157.3	0	112.8	E644 E716 I720 P727 R728 T732	E644-K718 HydrophobicContact CG-CB 4.27Å; E644-K718 HydrophobicContact CG-CD 4.4Å; E644-K718 WeakPolarHBondContact OE1-CD 3.39Å; E644-K718 WeakPolarHBondContact OE1-CE 3.49Å; E644-K718 WeakPolarHBondContact OE1-CG 3.38Å; E716-K718 HydrophobicContact CB-CG 4.31Å; E716-K718 WeakPolarHBondContact OE2-CE 3.32Å; E716-K718 IonicContact OE2-NZ 2.71Å; E716-K718 PolarHBondContact OE2-NZ 2.81Å; K718-I720 PolarHBondContact O-N 2.66Å; K718-P727 CarbonylContact O-C 3.56Å; K718-P727 WeakPolarHBondContact O-CA 3.25Å; K718-R728 PolarHBondContact N-O 3.37Å; K718-R728 PolarHBondContact O-N 2.63Å; K718-T732 PolarHBondContact NZ-OG1 2.93Å; K718-T732 VanDerWaalsContact NZ-OG1 3.16Å
719	V	89.7	Confident	89.1	Confident	46 Å²	46	64.4 Å²	64.4	28%	0.279	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.7	177.1	-178.1	0	0	0	0	110.2	E644 G645 P727	E644-V719 PolarHBondContact OE2-N 2.82Å; G645-V719 PolarHBondContact N-O 2.95Å; V719-P727 HydrophobicContact CG2-CG 4.19Å
720	I	87.9	Confident	89.1	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.128	34%	0.338	C	S	.	.			trans	-91	144.2	-178.8	-55.8	-176.1	0	0	0	110.4	L641 K718 S722 S723 R728 V740	L641-I720 HydrophobicContact CD1-CD1 4.02Å; L641-I720 HydrophobicContact CD1-CG1 4.2Å; L641-I720 HydrophobicContact CD1-CG2 3.96Å; K718-I720 PolarHBondContact O-N 2.66Å; I720-S722 PolarHBondContact O-N 2.9Å; I720-S723 VanDerWaalsContact O-CB 3.23Å; I720-S723 WeakPolarHBondContact O-CB 3.44Å; I720-S723 PolarHBondContact O-N 2.84Å; I720-S723 VanDerWaalsContact O-N 3.13Å; I720-S723 PolarHBondContact O-OG 2.91Å; I720-R728 HydrophobicContact CD1-CB 3.62Å; I720-R728 HydrophobicContact CD1-CG 4.11Å; I720-R728 HydrophobicContact CG1-CB 4.18Å; I720-V740 HydrophobicContact CD1-CG2 3.12Å
721	K	84.4	Confident	89.2	Confident	130 Å²	130	55.7 Å²	55.7	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	136.6	172.6	-168.9	173.6	-179.8	176.4	0	110.2	S723	K721-S723 VanDerWaalsContact C-N 3.25Å; K721-S723 PolarHBondContact O-N 2.81Å
722	S	77.6	Confident	89	Confident	124 Å²	124	56.9 Å²	56.9	87%	0.867	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	8.4	-176.7	-44.6	0	0	0	0	116.2	I720 G724	I720-S722 PolarHBondContact O-N 2.9Å; S722-G724 VanDerWaalsContact C-N 3.25Å; S722-G724 PolarHBondContact O-N 2.85Å
723	S	79.4	Confident	88.4	Confident	20 Å²	20	57.5 Å²	57.5	14%	0.14	34%	0.336	C	S	.	.	S	Bend	trans	-80.5	2	173	65.8	0	0	0	0	114.6	I720 K721 G725 I726	I720-S723 VanDerWaalsContact O-CB 3.23Å; I720-S723 WeakPolarHBondContact O-CB 3.44Å; I720-S723 PolarHBondContact O-N 2.84Å; I720-S723 VanDerWaalsContact O-N 3.13Å; I720-S723 PolarHBondContact O-OG 2.91Å; K721-S723 VanDerWaalsContact C-N 3.25Å; K721-S723 PolarHBondContact O-N 2.81Å; S723-G725 PolarHBondContact O-N 2.87Å; S723-G725 PolarHBondContact OG-N 3.08Å; S723-I726 WeakPolarHBondContact CB-O 3.46Å; S723-I726 WeakPolarHBondContact O-CB 3.28Å; S723-I726 PolarHBondContact O-N 2.86Å; S723-I726 PolarHBondContact OG-O 2.83Å
724	G	79.2	Confident	87.5	Confident	80 Å²	80	60.8 Å²	60.8	83%	0.825	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	18.1	-172.7	0	0	0	0	0	114	S722 I726	S722-G724 VanDerWaalsContact C-N 3.25Å; S722-G724 PolarHBondContact O-N 2.85Å; G724-I726 VanDerWaalsContact C-N 3.34Å
725	G	79.8	Confident	86.8	Confident	49 Å²	49	60.8 Å²	60.8	51%	0.505	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	1.1	-176.1	0	0	0	0	0	114.2	S723 P727	S723-G725 PolarHBondContact O-N 2.87Å; S723-G725 PolarHBondContact OG-N 3.08Å; G725-P727 WeakPolarHBondContact O-CD 3.33Å
726	I	84.3	Confident	86.3	Confident	105 Å²	105	65.1 Å²	65.1	54%	0.538	36%	0.363	S	S	.	.			trans	-81.5	119.2	178	-58.7	173.9	0	0	0	109	S723 G724	S723-I726 WeakPolarHBondContact CB-O 3.46Å; S723-I726 WeakPolarHBondContact O-CB 3.28Å; S723-I726 PolarHBondContact O-N 2.86Å; S723-I726 PolarHBondContact OG-O 2.83Å; G724-I726 VanDerWaalsContact C-N 3.34Å
727	P	87.6	Confident	86.2	Confident	58 Å²	58	64 Å²	64	38%	0.377	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	140	176.3	-23	34.2	0	0	0	111.6	M717 K718 V719 G725	M717-P727 HydrophobicContact CB-CB 3.95Å; M717-P727 HydrophobicContact CE-CB 4.04Å; M717-P727 VanDerWaalsContact CE-O 3.23Å; M717-P727 WeakPolarHBondContact CE-O 3.43Å; K718-P727 CarbonylContact O-C 3.56Å; K718-P727 WeakPolarHBondContact O-CA 3.25Å; V719-P727 HydrophobicContact CG2-CG 4.19Å; G725-P727 WeakPolarHBondContact O-CD 3.33Å
728	R	90.6	Very high	86.3	Confident	141 Å²	141	61 Å²	61	53%	0.532	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147	175.5	-65.4	-67.7	-175	164.2	0.2	109.4	K718 I720 S730	K718-R728 PolarHBondContact N-O 3.37Å; K718-R728 PolarHBondContact O-N 2.63Å; I720-R728 HydrophobicContact CD1-CB 3.62Å; I720-R728 HydrophobicContact CD1-CG 4.11Å; I720-R728 HydrophobicContact CG1-CB 4.18Å; R728-S730 PolarHBondContact O-N 2.9Å; R728-S730 PolarHBondContact O-OG 3.28Å
729	L	93.6	Very high	86.4	Confident	22 Å²	22	60.5 Å²	60.5	12%	0.115	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	130.1	171.8	-169.3	69.8	0	0	0	108.8	L715 M717 P741 W799 V805 H806	L715-L729 HydrophobicContact CB-CD1 3.97Å; L715-L729 HydrophobicContact CD1-CD1 4.37Å; L715-L729 HydrophobicContact CD1-CD2 4.46Å; L715-L729 HydrophobicContact CD2-CD1 4.42Å; L715-L729 HydrophobicContact CD2-CD2 4.48Å; L715-L729 HydrophobicContact CD2-CG 4.31Å; L715-L729 HydrophobicContact CG-CD1 4.49Å; M717-L729 HydrophobicContact SD-CB 4.23Å; M717-L729 HydrophobicContact SD-CD1 4.09Å; L729-P741 HydrophobicContact CD2-CG 3.98Å; L729-P741 HydrophobicContact CG-CG 4.12Å; L729-P741 WeakPolarHBondContact O-CD 3.06Å; L729-W799 HydrophobicContact CD2-CE3 4.01Å; L729-W799 HydrophobicContact CD2-CZ3 4.47Å; L729-V805 HydrophobicContact CD2-CG2 3.52Å; L729-H806 HydrophobicContact CD1-CB 3.73Å
730	S	94.1	Very high	86.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.9	-178.4	-67.4	0	0	0	0	109	L715 E716 R728 F739	L715-S730 WeakPolarHBondContact CA-O 3.38Å; E716-S730 PolarHBondContact N-O 3.1Å; E716-S730 WeakPolarHBondContact O-CB 3.22Å; E716-S730 PolarHBondContact O-N 3.2Å; R728-S730 PolarHBondContact O-N 2.9Å; R728-S730 PolarHBondContact O-OG 3.28Å; S730-F739 WeakPolarHBondContact CA-O 3.19Å
731	Y	95.2	Very high	87.1	Confident	9 Å²	9	60.5 Å²	60.5	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.9	174.3	175.6	-98.6	0	0	0	109.1	V591 Y703 I711 R714 L715 H738 F739	V591-Y731 HydrophobicContact CB-CD1 4.32Å; V591-Y731 HydrophobicContact CB-CE1 4.31Å; V591-Y731 HydrophobicContact CB-CG 4.41Å; V591-Y731 HydrophobicContact CG1-CD1 4.19Å; V591-Y731 HydrophobicContact CG1-CD2 4.33Å; V591-Y731 HydrophobicContact CG1-CG 3.98Å; V591-Y731 HydrophobicContact CG2-CD1 4.48Å; V591-Y731 HydrophobicContact CG2-CD2 3.96Å; V591-Y731 HydrophobicContact CG2-CE1 4.27Å; V591-Y731 HydrophobicContact CG2-CE2 3.73Å; V591-Y731 HydrophobicContact CG2-CG 4.32Å; Y703-Y731 WeakPolarHBondContact CE2-OH 3.48Å; Y703-Y731 PolarHBondContact OH-OH 3.16Å; I711-Y731 HydrophobicContact CG2-CD2 4.39Å; I711-Y731 HydrophobicContact CG2-CE2 4.07Å; R714-Y731 HydrophobicContact CB-CD2 4.06Å; R714-Y731 HydrophobicContact CB-CE2 3.8Å; R714-Y731 PolarHBondContact NH2-OH 3.49Å; L715-Y731 HydrophobicContact CD2-CD2 3.94Å; L715-Y731 HydrophobicContact CD2-CG 4.38Å; Y731-H738 WeakPolarHBondContact O-CA 3.21Å; Y731-H738 WeakPolarHBondContact O-CB 3.35Å; Y731-F739 HydrophobicContact CD1-CD1 4.41Å; Y731-F739 AromaticContact CD1-CE1 3.54Å; Y731-F739 HydrophobicContact CD1-CE1 3.54Å; Y731-F739 HydrophobicContact CD1-CE2 4.49Å; Y731-F739 AromaticContact CD1-CZ 3.58Å; Y731-F739 HydrophobicContact CD1-CZ 3.58Å; Y731-F739 HydrophobicContact CE1-CE1 4.17Å; Y731-F739 HydrophobicContact CE1-CZ 4.27Å; Y731-F739 HydrophobicContact CG-CZ 4.38Å; Y731-F739 PolarHBondContact N-O 3.1Å; Y731-F739 PolarHBondContact O-N 3.08Å; Y731-F739 VanDerWaalsContact O-N 3.08Å
732	T	92.3	Very high	87.6	Confident	25 Å²	25	56.9 Å²	56.9	15%	0.153	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129	-179.7	-57.5	0	0	0	0	110.1	R714 E716 K718	R714-T732 PolarHBondContact NE-O 3.2Å; R714-T732 PolarHBondContact NH2-O 2.73Å; R714-T732 PolarHBondContact O-N 2.83Å; R714-T732 VanDerWaalsContact O-N 3.1Å; E716-T732 PolarHBondContact OE2-OG1 2.9Å; K718-T732 PolarHBondContact NZ-OG1 2.93Å; K718-T732 VanDerWaalsContact NZ-OG1 3.16Å
733	G	81.5	Confident	88.5	Confident	23 Å²	23	51 Å²	51	24%	0.237	29%	0.287	C	S	.	.			trans	-69.6	-164.7	178.3	0	0	0	0	0	113.8	R714 D735 R737	R714-G733 PolarHBondContact NH2-O 2.93Å; G733-D735 VanDerWaalsContact C-N 3.31Å; G733-R737 PolarHBondContact N-O 2.71Å
734	R	74.2	Confident	89.3	Confident	189 Å²	189	50 Å²	50	71%	0.713	28%	0.28	S	S	*	.	S	Bend	trans	-76.3	-24	171	-69.7	-174.6	179.1	169.2	3.3	112.1	E701	E701-R734 IonicContact OE1-CZ 3.36Å; E701-R734 IonicContact OE1-NE 2.83Å; E701-R734 PolarHBondContact OE1-NE 2.83Å; E701-R734 IonicContact OE1-NH2 3.9Å; E701-R734 PolarHBondContact OE1-NH2 3.19Å; E701-R734 VanDerWaalsContact OE1-NH2 3.14Å; E701-R734 IonicContact OE2-NE 3.38Å
735	D	79.9	Confident	90.2	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.283	24%	0.244	S	C	.	.	S	Bend	trans	-94.3	-178.3	171.4	56	5.9	0	0	0	110.6	R698 G733 R737	R698-D735 IonicContact CZ-OD2 3.31Å; R698-D735 IonicContact NH2-OD2 2.67Å; R698-D735 PolarHBondContact NH2-OD2 3.48Å; G733-D735 VanDerWaalsContact C-N 3.31Å; D735-R737 PolarHBondContact O-N 3.43Å; D735-R737 WeakPolarHBondContact OD1-CB 3.33Å; D735-R737 PolarHBondContact OD1-N 2.98Å; D735-R737 WeakPolarHBondContact OD2-CD 3.41Å
736	D	84	Confident	91.1	Very high	94 Å²	94	44.6 Å²	44.6	50%	0.503	22%	0.22	S	C	.	.	S	Bend	trans	-75.9	16.2	178.4	68.1	-11.1	0	0	0	113.9	K642	K642-D736 WeakPolarHBondContact CE-OD1 3.36Å; K642-D736 WeakPolarHBondContact CE-OD2 3.2Å; K642-D736 IonicContact NZ-OD1 3.7Å; K642-D736 PolarHBondContact NZ-OD1 3.15Å; K642-D736 IonicContact NZ-OD2 2.82Å; K642-D736 PolarHBondContact NZ-OD2 2.97Å
737	R	91.4	Very high	91.6	Very high	60 Å²	60	40 Å²	40	23%	0.226	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.7	179.1	-55.9	-177.2	176.8	-160.7	-2.6	110.6	E640 L641 K642 G733 D735	E640-R737 HydrophobicContact CB-CB 4.46Å; E640-R737 WeakPolarHBondContact OE2-CD 3.38Å; E640-R737 IonicContact OE2-CZ 3.81Å; E640-R737 IonicContact OE2-NE 3.94Å; E640-R737 IonicContact OE2-NH1 2.86Å; E640-R737 PolarHBondContact OE2-NH1 2.83Å; L641-R737 CarbonylContact O-C 3.4Å; L641-R737 VanDerWaalsContact O-CA 3.32Å; L641-R737 WeakPolarHBondContact O-CA 3.37Å; K642-R737 HydrophobicContact CB-CG 4.49Å; G733-R737 PolarHBondContact N-O 2.71Å; D735-R737 PolarHBondContact O-N 3.43Å; D735-R737 WeakPolarHBondContact OD1-CB 3.33Å; D735-R737 PolarHBondContact OD1-N 2.98Å; D735-R737 WeakPolarHBondContact OD2-CD 3.41Å
738	H	93.8	Very high	92	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	162.6	176.8	61.5	-77.7	0	0	0	110.7	L641 G643 Y731	L641-H738 WeakPolarHBondContact CB-O 3.41Å; L641-H738 PolarHBondContact N-O 3.13Å; L641-H738 PolarHBondContact O-N 2.85Å; L641-H738 PolarHBondContact O-ND1 3.35Å; L641-H738 VanDerWaalsContact O-ND1 3.1Å; G643-H738 PolarHBondContact O-CE1 3.44Å; Y731-H738 WeakPolarHBondContact O-CA 3.21Å; Y731-H738 WeakPolarHBondContact O-CB 3.35Å
739	F	94.9	Very high	92.3	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.057	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.9	170.3	63.5	-91.6	0	0	0	110	V591 G593 V638 H639 S730 Y731 P741	V591-F739 HydrophobicContact CB-CZ 4.43Å; V591-F739 HydrophobicContact CG1-CE2 4.11Å; V591-F739 HydrophobicContact CG1-CZ 4.03Å; G593-F739 VanDerWaalsContact CA-CE2 3.49Å; V638-F739 HydrophobicContact CG1-CB 3.57Å; V638-F739 HydrophobicContact CG1-CD1 4.01Å; V638-F739 HydrophobicContact CG1-CD2 3.91Å; V638-F739 HydrophobicContact CG1-CG 3.56Å; H639-F739 WeakPolarHBondContact O-CB 3.32Å; S730-F739 WeakPolarHBondContact CA-O 3.19Å; Y731-F739 HydrophobicContact CD1-CD1 4.41Å; Y731-F739 AromaticContact CD1-CE1 3.54Å; Y731-F739 HydrophobicContact CD1-CE1 3.54Å; Y731-F739 HydrophobicContact CD1-CE2 4.49Å; Y731-F739 AromaticContact CD1-CZ 3.58Å; Y731-F739 HydrophobicContact CD1-CZ 3.58Å; Y731-F739 HydrophobicContact CE1-CE1 4.17Å; Y731-F739 HydrophobicContact CE1-CZ 4.27Å; Y731-F739 HydrophobicContact CG-CZ 4.38Å; Y731-F739 PolarHBondContact N-O 3.1Å; Y731-F739 PolarHBondContact O-N 3.08Å; Y731-F739 VanDerWaalsContact O-N 3.08Å; F739-P741 HydrophobicContact CE2-CB 4.33Å; F739-P741 VanDerWaalsContact O-CD 3.31Å; F739-P741 WeakPolarHBondContact O-CD 3.5Å
740	V	94.4	Very high	92.4	Very high	63 Å²	63	31.1 Å²	31.1	38%	0.382	15%	0.154	S	C	.	.			trans	-79.8	113.2	175.1	-177.1	0	0	0	0	108.4	I720	I720-V740 HydrophobicContact CD1-CG2 3.12Å
741	P	95.9	Very high	92.4	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.058	17%	0.167	C	C	.	.			trans	-73.7	143.2	179.5	32.2	-33.9	0	0	0	110.7	V591 S592 L715 L729 F739 W799	V591-P741 HydrophobicContact CG1-CB 3.62Å; S592-P741 CarbonylContact O-C 3.43Å; S592-P741 WeakPolarHBondContact O-CA 3.19Å; L715-P741 HydrophobicContact CD2-CG 4.16Å; L729-P741 HydrophobicContact CD2-CG 3.98Å; L729-P741 HydrophobicContact CG-CG 4.12Å; L729-P741 WeakPolarHBondContact O-CD 3.06Å; F739-P741 HydrophobicContact CE2-CB 4.33Å; F739-P741 VanDerWaalsContact O-CD 3.31Å; F739-P741 WeakPolarHBondContact O-CD 3.5Å; P741-W799 HydrophobicContact CB-CE3 3.87Å; P741-W799 HydrophobicContact CB-CZ3 3.83Å; P741-W799 HydrophobicContact CG-CE3 3.88Å; P741-W799 HydrophobicContact CG-CZ3 3.9Å
742	T	96.3	Very high	92.1	Very high	53 Å²	53	36.5 Å²	36.5	33%	0.325	18%	0.184	S	C	.	.			trans	-98.1	-17	173.7	59.1	0	0	0	0	112.6	S592 W799	S592-T742 WeakPolarHBondContact CB-OG1 3.4Å; S592-T742 PolarHBondContact O-N 2.73Å; S592-T742 PolarHBondContact OG-OG1 3.1Å; T742-W799 PolarHBondContact O-N 3.3Å
743	G	96.6	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-157.4	-175.9	0	0	0	0	0	111.8	S592 W797	S592-G743 WeakPolarHBondContact CB-O 3.42Å; S592-G743 PolarHBondContact N-O 3.05Å; G743-W797 CarbonylContact C-O 3.59Å; G743-W797 WeakPolarHBondContact CA-O 3.47Å
744	L	96.4	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.3	-176.8	178.1	134	0	0	0	111.3	C589 M590 M708 I711 I746 W797 W799	C589-L744 HydrophobicContact CB-CD1 4.14Å; C589-L744 HydrophobicContact CB-CD2 3.83Å; C589-L744 HydrophobicContact CB-CG 4.11Å; M590-L744 WeakPolarHBondContact O-CA 3.37Å; M708-L744 HydrophobicContact CE-CD1 3.87Å; M708-L744 HydrophobicContact CE-CD2 3.28Å; M708-L744 HydrophobicContact CE-CG 4.21Å; M708-L744 HydrophobicContact SD-CD2 4.46Å; I711-L744 HydrophobicContact CD1-CD1 3.43Å; I711-L744 VanDerWaalsContact CD1-CD1 3.43Å; L744-I746 HydrophobicContact CD2-CD1 4Å; L744-I746 HydrophobicContact CD2-CG1 3.43Å; L744-I746 VanDerWaalsContact CD2-CG1 3.43Å; L744-W797 HydrophobicContact CB-CE3 4.37Å; L744-W797 HydrophobicContact CD2-CE3 4.34Å; L744-W797 PolarHBondContact N-O 2.66Å; L744-W797 PolarHBondContact O-N 3.46Å; L744-W799 HydrophobicContact CB-CZ2 4Å; L744-W799 HydrophobicContact CD1-CZ2 4.34Å
745	Y	97.6	Very high	93.9	Very high	14 Å²	14	28.1 Å²	28.1	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.7	169.8	-71.4	-73.7	0	0	0	110.1	P570 C589 M590 E636 L657 L795 F796	P570-Y745 HydrophobicContact CB-CE1 4.26Å; P570-Y745 HydrophobicContact CG-CE1 4.3Å; C589-Y745 CarbonylContact C-O 3.58Å; C589-Y745 WeakPolarHBondContact CA-O 3.17Å; C589-Y745 VanDerWaalsContact CB-O 3.27Å; C589-Y745 WeakPolarHBondContact CB-O 3.24Å; M590-Y745 PolarHBondContact N-O 3.16Å; M590-Y745 PolarHBondContact O-N 3Å; E636-Y745 WeakPolarHBondContact OE1-CE2 3.48Å; L657-Y745 HydrophobicContact CD1-CE2 4.36Å; L657-Y745 HydrophobicContact CD2-CD2 4.22Å; L657-Y745 HydrophobicContact CD2-CE2 4.43Å; Y745-L795 WeakPolarHBondContact CA-O 3.34Å; Y745-F796 HydrophobicContact CD1-CB 4.3Å; Y745-F796 AromaticContact CD1-CD2 3.71Å; Y745-F796 HydrophobicContact CD1-CD2 3.71Å; Y745-F796 HydrophobicContact CD1-CG 4.44Å; Y745-F796 HydrophobicContact CD2-CD2 4.3Å; Y745-F796 HydrophobicContact CD2-CE2 4.44Å; Y745-F796 HydrophobicContact CE1-CB 4.26Å; Y745-F796 AromaticContact CE1-CD2 3.58Å; Y745-F796 HydrophobicContact CE1-CD2 3.58Å; Y745-F796 HydrophobicContact CE1-CE2 4.27Å; Y745-F796 HydrophobicContact CE1-CG 4.2Å; Y745-F796 HydrophobicContact CE2-CD2 4.17Å; Y745-F796 HydrophobicContact CE2-CE2 4.13Å; Y745-F796 HydrophobicContact CG-CD2 4.07Å; Y745-F796 AromaticContact CZ-CD2 3.82Å
746	I	97.6	Very high	94.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.2	168.6	-55.2	176	0	0	0	107.7	L573 I581 Y587 R588 C589 L705 M708 L744 R794 L795	L573-I746 HydrophobicContact CD1-CD1 4.41Å; L573-I746 HydrophobicContact CD2-CD1 3.91Å; I581-I746 HydrophobicContact CD1-CD1 4.18Å; Y587-I746 HydrophobicContact CD1-CG2 3.67Å; Y587-I746 HydrophobicContact CG-CG2 4.1Å; R588-I746 CarbonylContact O-C 3.53Å; R588-I746 WeakPolarHBondContact O-CA 3.24Å; C589-I746 HydrophobicContact CB-CG1 4.35Å; L705-I746 HydrophobicContact CD1-CD1 4.27Å; L705-I746 HydrophobicContact CD1-CG2 4.36Å; L705-I746 HydrophobicContact CD2-CG2 4.15Å; M708-I746 HydrophobicContact CE-CD1 4.31Å; M708-I746 HydrophobicContact CE-CG1 4.38Å; L744-I746 HydrophobicContact CD2-CD1 4Å; L744-I746 HydrophobicContact CD2-CG1 3.43Å; L744-I746 VanDerWaalsContact CD2-CG1 3.43Å; I746-R794 WeakPolarHBondContact O-CA 3.49Å; I746-L795 HydrophobicContact CB-CB 4.23Å; I746-L795 PolarHBondContact N-O 3.4Å; I746-L795 PolarHBondContact O-N 2.92Å
747	V	96.8	Very high	95	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.048	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	-172	-177.9	0	0	0	0	109.3	Y587 R588 M590 F672 C790 R794	Y587-V747 CarbonylContact C-O 3.6Å; Y587-V747 VanDerWaalsContact CA-O 3.3Å; Y587-V747 WeakPolarHBondContact CA-O 3.33Å; R588-V747 PolarHBondContact N-O 3.4Å; R588-V747 PolarHBondContact O-N 3.2Å; M590-V747 HydrophobicContact CE-CG2 3.87Å; F672-V747 HydrophobicContact CD2-CG1 4.26Å; F672-V747 HydrophobicContact CE2-CG1 4.18Å; V747-C790 HydrophobicContact CG1-CB 3.69Å; V747-R794 HydrophobicContact CG2-CB 4.32Å
748	R	95.9	Very high	94.9	Very high	35 Å²	35	24.9 Å²	24.9	13%	0.132	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.9	172.8	-165.1	178.5	178.5	-169.8	-4.4	109.9	D586 Y587 V750 D752 C790	D586-R748 HydrophobicContact CB-CG 4.43Å; Y587-R748 HydrophobicContact CD1-CB 3.86Å; Y587-R748 HydrophobicContact CD1-CG 4.29Å; Y587-R748 HydrophobicContact CE1-CB 3.56Å; Y587-R748 HydrophobicContact CE1-CG 3.87Å; Y587-R748 HydrophobicContact CE2-CG 4.45Å; R748-V750 PolarHBondContact NE-O 3.16Å; R748-D752 IonicContact CZ-OD1 3.59Å; R748-D752 IonicContact CZ-OD2 3.58Å; R748-D752 IonicContact NH1-OD1 2.83Å; R748-D752 IonicContact NH1-OD2 3.58Å; R748-D752 PolarHBondContact NH1-OD2 3.15Å; R748-D752 IonicContact NH2-OD1 3.5Å; R748-D752 PolarHBondContact NH2-OD1 3.17Å; R748-D752 IonicContact NH2-OD2 2.73Å; R748-D752 PolarHBondContact NH2-OD2 3Å; R748-C790 PolarHBondContact O-SG 3.49Å
749	T	95.8	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.			trans	-110.1	-8.2	-177.4	66.4	0	0	0	0	113.7	D586 R588 H671 F672 A785	D586-T749 PolarHBondContact O-N 2.93Å; D586-T749 PolarHBondContact O-OG1 2.85Å; D586-T749 VanDerWaalsContact O-OG1 3.13Å; R588-T749 HydrophobicContact CB-CG2 4.15Å; R588-T749 HydrophobicContact CG-CG2 3.58Å; H671-T749 PolarHBondContact NE2-O 3.03Å; F672-T749 HydrophobicContact CB-CG2 3.6Å; F672-T749 HydrophobicContact CD1-CG2 3.49Å; F672-T749 VanDerWaalsContact CD1-CG2 3.49Å; F672-T749 HydrophobicContact CE1-CG2 4.35Å; F672-T749 HydrophobicContact CG-CG2 3.67Å; T749-A785 VanDerWaalsContact C-CB 3.42Å; T749-A785 VanDerWaalsContact O-CB 3.28Å; T749-A785 WeakPolarHBondContact O-CB 3.44Å; T749-A785 PolarHBondContact O-N 2.86Å
750	V	95	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-113	127.3	179.3	-173.2	0	0	0	0	109.9	D586 R748 W754 M756 F767 S783	D586-V750 HydrophobicContact CB-CB 4.02Å; D586-V750 HydrophobicContact CB-CG2 4.06Å; D586-V750 WeakPolarHBondContact OD1-CG2 3.4Å; R748-V750 PolarHBondContact NE-O 3.16Å; V750-W754 HydrophobicContact CG1-CB 4Å; V750-M756 HydrophobicContact CG2-CG 3.97Å; V750-M756 HydrophobicContact CG2-SD 4.03Å; V750-F767 HydrophobicContact CG2-CE1 4.31Å; V750-S783 CarbonylContact C-O 3.55Å; V750-S783 WeakPolarHBondContact CA-O 3.47Å
751	N	94.1	Very high	94.3	Very high	50 Å²	50	39.9 Å²	39.9	27%	0.267	19%	0.193	S	C	.	.			trans	-84.1	146.3	-177.8	-163.5	33.1	0	0	0	112	W754 S783 A785	N751-W754 WeakPolarHBondContact O-CA 3.32Å; N751-W754 WeakPolarHBondContact O-CB 2.9Å; N751-W754 PolarHBondContact O-N 3.11Å; N751-S783 PolarHBondContact N-O 2.85Å; N751-A785 HydrophobicContact CB-CB 4.43Å
752	D	90.7	Very high	94.1	Very high	73 Å²	73	41.7 Å²	41.7	39%	0.39	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	148.3	172.7	-79.6	-48.5	0	0	0	111.3	R748 W754 K770	R748-D752 IonicContact CZ-OD1 3.59Å; R748-D752 IonicContact CZ-OD2 3.58Å; R748-D752 IonicContact NH1-OD1 2.83Å; R748-D752 IonicContact NH1-OD2 3.58Å; R748-D752 PolarHBondContact NH1-OD2 3.15Å; R748-D752 IonicContact NH2-OD1 3.5Å; R748-D752 PolarHBondContact NH2-OD1 3.17Å; R748-D752 IonicContact NH2-OD2 2.73Å; R748-D752 PolarHBondContact NH2-OD2 3Å; D752-W754 VanDerWaalsContact C-N 3.35Å; D752-K770 WeakPolarHBondContact OD1-CE 3.42Å; D752-K770 IonicContact OD1-NZ 2.82Å; D752-K770 PolarHBondContact OD1-NZ 3.23Å
753	P	94.6	Very high	93.8	Very high	34 Å²	34	48.5 Å²	48.5	22%	0.221	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.7	13.1	2.5	37.2	-38.4	0	0	0	114.4	K770 I771	P753-K770 WeakPolarHBondContact O-CB 3.39Å; P753-K770 WeakPolarHBondContact O-CE 3.32Å; P753-K770 WeakPolarHBondContact O-CG 3.2Å; P753-K770 PolarHBondContact O-N 3.07Å; P753-I771 HydrophobicContact CB-CB 4.43Å; P753-I771 HydrophobicContact CB-CD1 3.6Å; P753-I771 HydrophobicContact CB-CG1 3.71Å; P753-I771 HydrophobicContact CG-CD1 3.9Å; P753-I771 HydrophobicContact CG-CG1 4.23Å
754	W	95.9	Very high	93.6	Very high	23 Å²	23	56 Å²	56	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	154.3	-179.9	-66.5	91.5	0	0	0	112.1	V750 N751 D752 F767 F768 N769 T776 P780 E782 S783	V750-W754 HydrophobicContact CG1-CB 4Å; N751-W754 WeakPolarHBondContact O-CA 3.32Å; N751-W754 WeakPolarHBondContact O-CB 2.9Å; N751-W754 PolarHBondContact O-N 3.11Å; D752-W754 VanDerWaalsContact C-N 3.35Å; W754-F767 HydrophobicContact CE3-CB 3.92Å; W754-F767 HydrophobicContact CZ3-CB 4.13Å; W754-F768 CarbonylContact C-O 3.56Å; W754-F768 WeakPolarHBondContact CA-O 3.48Å; W754-N769 HydrophobicContact CD2-CB 3.9Å; W754-N769 HydrophobicContact CE3-CB 3.77Å; W754-N769 HydrophobicContact CH2-CB 3.87Å; W754-N769 HydrophobicContact CZ2-CB 3.97Å; W754-N769 HydrophobicContact CZ3-CB 3.76Å; W754-N769 PolarHBondContact NE1-ND2 3.44Å; W754-T776 HydrophobicContact CH2-CG2 4.39Å; W754-T776 HydrophobicContact CZ3-CG2 4.18Å; W754-P780 HydrophobicContact CD2-CB 4.24Å; W754-P780 HydrophobicContact CD2-CG 4.01Å; W754-P780 HydrophobicContact CE3-CB 4.44Å; W754-P780 HydrophobicContact CE3-CG 3.75Å; W754-P780 HydrophobicContact CH2-CB 4.06Å; W754-P780 HydrophobicContact CH2-CG 3.77Å; W754-P780 HydrophobicContact CZ2-CB 3.86Å; W754-P780 HydrophobicContact CZ2-CG 4.05Å; W754-P780 HydrophobicContact CZ3-CB 4.35Å; W754-P780 HydrophobicContact CZ3-CG 3.62Å; W754-E782 PolarHBondContact NE1-OE2 3.42Å; W754-S783 VanDerWaalsContact CB-CB 3.43Å
755	T	94.9	Very high	93.4	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.7	172.9	-170.3	0	0	0	0	110.1	Q583 D586 F767 F768 K770	Q583-T755 VanDerWaalsContact CB-OG1 3.24Å; Q583-T755 WeakPolarHBondContact CB-OG1 3.48Å; Q583-T755 WeakPolarHBondContact CG-OG1 3.19Å; D586-T755 VanDerWaalsContact CG-OG1 3.32Å; D586-T755 WeakPolarHBondContact OD1-CA 3.48Å; D586-T755 PolarHBondContact OD1-OG1 2.99Å; D586-T755 WeakPolarHBondContact OD2-CA 3.47Å; D586-T755 WeakPolarHBondContact OD2-CB 3.46Å; D586-T755 PolarHBondContact OD2-OG1 3.42Å; T755-F767 CarbonylContact O-C 3.34Å; T755-F767 WeakPolarHBondContact O-CA 3.42Å; T755-F768 HydrophobicContact CG2-CB 4.27Å; T755-F768 HydrophobicContact CG2-CD1 4.23Å; T755-F768 PolarHBondContact N-O 3.03Å; T755-F768 PolarHBondContact O-N 3.49Å; T755-K770 HydrophobicContact CG2-CD 4.34Å; T755-K770 HydrophobicContact CG2-CG 4.09Å
756	M	94.3	Very high	93.3	Very high	19 Å²	19	59.5 Å²	59.5	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.3	174.7	-74.8	-178.2	61.1	0	0	111	L585 D586 V750 K765 F766 F767	L585-M756 HydrophobicContact CB-CB 3.61Å; L585-M756 HydrophobicContact CB-CE 4.43Å; L585-M756 HydrophobicContact CD1-CB 4.42Å; D586-M756 WeakPolarHBondContact OD1-CB 3.14Å; D586-M756 PolarHBondContact OD1-N 3.2Å; V750-M756 HydrophobicContact CG2-CG 3.97Å; V750-M756 HydrophobicContact CG2-SD 4.03Å; M756-K765 HydrophobicContact CE-CB 4.06Å; M756-K765 HydrophobicContact CE-CD 3.88Å; M756-K765 HydrophobicContact CE-CG 4.47Å; M756-F766 WeakPolarHBondContact CA-O 3.19Å; M756-F767 HydrophobicContact CG-CD1 3.72Å; M756-F767 HydrophobicContact CG-CE1 3.47Å; M756-F767 VanDerWaalsContact CG-CE1 3.47Å; M756-F767 HydrophobicContact CG-CG 4.49Å; M756-F767 HydrophobicContact CG-CZ 4.05Å; M756-F767 HydrophobicContact SD-CE1 3.89Å; M756-F767 HydrophobicContact SD-CZ 4.03Å
757	A	91.4	Very high	93.2	Very high	26 Å²	26	60.5 Å²	60.5	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	165.1	174	0	0	0	0	0	110.8	K765 F766	A757-K765 CarbonylContact O-C 3.56Å; A757-K765 VanDerWaalsContact O-CA 3.28Å; A757-K765 WeakPolarHBondContact O-CA 3.46Å; A757-F766 HydrophobicContact CB-CD1 4.26Å; A757-F766 HydrophobicContact CB-CE1 3.62Å; A757-F766 HydrophobicContact CB-CE2 4.18Å; A757-F766 HydrophobicContact CB-CZ 3.58Å; A757-F766 PolarHBondContact N-O 3.33Å; A757-F766 WeakPolarHBondContact O-CD1 3.32Å; A757-F766 PolarHBondContact O-N 3.09Å
758	Y	91.1	Very high	93.1	Very high	93 Å²	93	62.9 Å²	62.9	37%	0.365	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.5	176.6	-173.5	-100.3	0	0	0	111	R763 K765	Y758-R763 VanDerWaalsContact OH-C 3.25Å; Y758-R763 WeakPolarHBondContact OH-CA 3.36Å; Y758-R763 WeakPolarHBondContact OH-CB 3.33Å; Y758-R763 PolarHBondContact OH-O 3.46Å; Y758-R763 VanDerWaalsContact OH-O 3.11Å; Y758-K765 HydrophobicContact CD2-CG 3.84Å
759	S	90.6	Very high	93.1	Very high	21 Å²	21	61.5 Å²	61.5	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.2	175.5	170	0	0	0	0	110	K761 S762 R763 R764	S759-K761 VanDerWaalsContact C-N 3.27Å; S759-K761 PolarHBondContact O-N 3.28Å; S759-S762 WeakPolarHBondContact CB-OG 3.18Å; S759-S762 PolarHBondContact OG-N 2.78Å; S759-S762 VanDerWaalsContact OG-N 3.14Å; S759-S762 PolarHBondContact OG-OG 3.09Å; S759-R763 WeakPolarHBondContact O-CA 3.42Å; S759-R763 PolarHBondContact O-N 3.04Å; S759-R764 WeakPolarHBondContact CB-O 3.24Å; S759-R764 PolarHBondContact N-O 2.83Å; S759-R764 PolarHBondContact O-N 3.23Å
760	K	88.9	Confident	93	Very high	167 Å²	167	65.4 Å²	65.4	73%	0.726	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.7	173.6	-65.1	-173.1	178.7	-174.3	0	112.3
761	K	90.8	Very high	93	Very high	207 Å²	207	71.6 Å²	71.6	90%	0.9	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-46.5	-179.4	-176.6	179.3	178.4	-179.2	0	112.4	S759	S759-K761 VanDerWaalsContact C-N 3.27Å; S759-K761 PolarHBondContact O-N 3.28Å
762	S	90	Very high	93.1	Very high	48 Å²	48	72.8 Å²	72.8	34%	0.336	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.6	-178.6	57.7	0	0	0	0	113.6	S759 R764 Y777	S759-S762 WeakPolarHBondContact CB-OG 3.18Å; S759-S762 PolarHBondContact OG-N 2.78Å; S759-S762 VanDerWaalsContact OG-N 3.14Å; S759-S762 PolarHBondContact OG-OG 3.09Å; S762-R764 WeakPolarHBondContact O-CG 3.43Å; S762-R764 PolarHBondContact O-N 3.42Å; S762-Y777 PolarHBondContact OG-OH 2.89Å
763	R	91.1	Very high	93.2	Very high	196 Å²	196	76 Å²	76	74%	0.74	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	32.5	-177.4	-58	-177	73.2	176.5	3.3	113.4	Y758 S759	Y758-R763 VanDerWaalsContact OH-C 3.25Å; Y758-R763 WeakPolarHBondContact OH-CA 3.36Å; Y758-R763 WeakPolarHBondContact OH-CB 3.33Å; Y758-R763 PolarHBondContact OH-O 3.46Å; Y758-R763 VanDerWaalsContact OH-O 3.11Å; S759-R763 WeakPolarHBondContact O-CA 3.42Å; S759-R763 PolarHBondContact O-N 3.04Å
764	R	92.3	Very high	93.2	Very high	157 Å²	157	79.2 Å²	79.2	59%	0.592	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.4	-175.4	-71.8	177.3	72.6	-176.2	0.8	111.6	S759 S762 Y777	S759-R764 WeakPolarHBondContact CB-O 3.24Å; S759-R764 PolarHBondContact N-O 2.83Å; S759-R764 PolarHBondContact O-N 3.23Å; S762-R764 WeakPolarHBondContact O-CG 3.43Å; S762-R764 PolarHBondContact O-N 3.42Å; R764-Y777 HydrophobicContact CB-CD1 4.31Å; R764-Y777 HydrophobicContact CB-CE1 4.01Å
765	K	92.4	Very high	93.1	Very high	53 Å²	53	81.6 Å²	81.6	23%	0.23	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.2	171.2	-64.1	178.2	-178	175.4	0	109.9	L585 E706 M756 A757 Y758 Y777	L585-K765 HydrophobicContact CD1-CD 4.35Å; L585-K765 HydrophobicContact CD1-CG 4.28Å; L585-K765 HydrophobicContact CD2-CD 4.17Å; E706-K765 IonicContact OE1-NZ 2.74Å; E706-K765 PolarHBondContact OE1-NZ 3.21Å; M756-K765 HydrophobicContact CE-CB 4.06Å; M756-K765 HydrophobicContact CE-CD 3.88Å; M756-K765 HydrophobicContact CE-CG 4.47Å; A757-K765 CarbonylContact O-C 3.56Å; A757-K765 VanDerWaalsContact O-CA 3.28Å; A757-K765 WeakPolarHBondContact O-CA 3.46Å; Y758-K765 HydrophobicContact CD2-CG 3.84Å; K765-Y777 WeakPolarHBondContact O-CD1 3.02Å
766	F	94.6	Very high	93.2	Very high	35 Å²	35	83.5 Å²	83.5	15%	0.154	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.5	178.4	70.9	-82.7	0	0	0	110.5	M756 A757 F768 T776 Y777	M756-F766 WeakPolarHBondContact CA-O 3.19Å; A757-F766 HydrophobicContact CB-CD1 4.26Å; A757-F766 HydrophobicContact CB-CE1 3.62Å; A757-F766 HydrophobicContact CB-CE2 4.18Å; A757-F766 HydrophobicContact CB-CZ 3.58Å; A757-F766 PolarHBondContact N-O 3.33Å; A757-F766 WeakPolarHBondContact O-CD1 3.32Å; A757-F766 PolarHBondContact O-N 3.09Å; F766-F768 HydrophobicContact CD2-CB 4.46Å; F766-F768 HydrophobicContact CE2-CB 3.98Å; F766-T776 WeakPolarHBondContact CB-O 3.49Å; F766-Y777 HydrophobicContact CB-CD1 3.68Å; F766-Y777 HydrophobicContact CB-CE1 3.65Å; F766-Y777 HydrophobicContact CB-CG 4.38Å; F766-Y777 HydrophobicContact CG-CE1 4.46Å
767	F	96.1	Very high	93.1	Very high	22 Å²	22	87.7 Å²	87.7	10%	0.096	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.2	173.8	-65.6	-88.3	0	0	0	110.1	V750 W754 T755 M756 S775 T776 D778 L779 P780	V750-F767 HydrophobicContact CG2-CE1 4.31Å; W754-F767 HydrophobicContact CE3-CB 3.92Å; W754-F767 HydrophobicContact CZ3-CB 4.13Å; T755-F767 CarbonylContact O-C 3.34Å; T755-F767 WeakPolarHBondContact O-CA 3.42Å; M756-F767 HydrophobicContact CG-CD1 3.72Å; M756-F767 HydrophobicContact CG-CE1 3.47Å; M756-F767 VanDerWaalsContact CG-CE1 3.47Å; M756-F767 HydrophobicContact CG-CG 4.49Å; M756-F767 HydrophobicContact CG-CZ 4.05Å; M756-F767 HydrophobicContact SD-CE1 3.89Å; M756-F767 HydrophobicContact SD-CZ 4.03Å; F767-S775 CarbonylContact O-C 3.51Å; F767-S775 VanDerWaalsContact O-CA 3.25Å; F767-S775 WeakPolarHBondContact O-CA 3.17Å; F767-T776 HydrophobicContact CB-CG2 4.24Å; F767-T776 PolarHBondContact N-O 3.48Å; F767-T776 PolarHBondContact O-N 2.91Å; F767-D778 WeakPolarHBondContact CD2-O 3.47Å; F767-L779 HydrophobicContact CE1-CD1 3.87Å; F767-L779 HydrophobicContact CE2-CB 4.28Å; F767-L779 HydrophobicContact CE2-CD1 3.93Å; F767-L779 HydrophobicContact CZ-CD1 3.39Å; F767-P780 HydrophobicContact CB-CG 3.82Å; F767-P780 HydrophobicContact CD2-CG 4.49Å; F767-P780 VanDerWaalsContact CG-CD 3.47Å; F767-P780 HydrophobicContact CG-CG 4.06Å
768	F	95.5	Very high	93.2	Very high	57 Å²	57	92.4 Å²	92.4	25%	0.25	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.1	178.6	178.5	-112.2	0	0	0	110.2	W754 T755 F766 K770 K773 N774 S775	W754-F768 CarbonylContact C-O 3.56Å; W754-F768 WeakPolarHBondContact CA-O 3.48Å; T755-F768 HydrophobicContact CG2-CB 4.27Å; T755-F768 HydrophobicContact CG2-CD1 4.23Å; T755-F768 PolarHBondContact N-O 3.03Å; T755-F768 PolarHBondContact O-N 3.49Å; F766-F768 HydrophobicContact CD2-CB 4.46Å; F766-F768 HydrophobicContact CE2-CB 3.98Å; F768-K770 HydrophobicContact CD1-CG 4.37Å; F768-K770 HydrophobicContact CE1-CG 4.49Å; F768-K773 HydrophobicContact CE2-CB 4.34Å; F768-K773 WeakPolarHBondContact CE2-O 3.43Å; F768-K773 HydrophobicContact CZ-CB 4.4Å; F768-K773 HydrophobicContact CZ-CD 3.76Å; F768-N774 WeakPolarHBondContact CA-O 3.36Å; F768-S775 WeakPolarHBondContact CD2-OG 3.49Å
769	N	96.1	Very high	93.2	Very high	6 Å²	6	92.3 Å²	92.3	3%	0.032	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.1	173.6	-172.8	-49.4	0	0	0	109.6	W754 I771 T772 K773 N774	W754-N769 HydrophobicContact CD2-CB 3.9Å; W754-N769 HydrophobicContact CE3-CB 3.77Å; W754-N769 HydrophobicContact CH2-CB 3.87Å; W754-N769 HydrophobicContact CZ2-CB 3.97Å; W754-N769 HydrophobicContact CZ3-CB 3.76Å; W754-N769 PolarHBondContact NE1-ND2 3.44Å; N769-I771 PolarHBondContact O-N 3.11Å; N769-I771 PolarHBondContact OD1-N 3.23Å; N769-T772 VanDerWaalsContact CB-OG1 3.22Å; N769-T772 WeakPolarHBondContact CB-OG1 3.37Å; N769-T772 PolarHBondContact OD1-N 3.13Å; N769-T772 PolarHBondContact OD1-OG1 3.23Å; N769-K773 VanDerWaalsContact O-CA 3.24Å; N769-K773 WeakPolarHBondContact O-CA 3.18Å; N769-K773 PolarHBondContact O-N 3.36Å; N769-N774 PolarHBondContact N-O 2.84Å
770	K	93.6	Very high	93.4	Very high	82 Å²	82	92.2 Å²	92.2	36%	0.357	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.2	-175	-67.2	178	-68.2	-176.8	0	113.6	D752 P753 T755 F768 K773	D752-K770 WeakPolarHBondContact OD1-CE 3.42Å; D752-K770 IonicContact OD1-NZ 2.82Å; D752-K770 PolarHBondContact OD1-NZ 3.23Å; P753-K770 WeakPolarHBondContact O-CB 3.39Å; P753-K770 WeakPolarHBondContact O-CE 3.32Å; P753-K770 WeakPolarHBondContact O-CG 3.2Å; P753-K770 PolarHBondContact O-N 3.07Å; T755-K770 HydrophobicContact CG2-CD 4.34Å; T755-K770 HydrophobicContact CG2-CG 4.09Å; F768-K770 HydrophobicContact CD1-CG 4.37Å; F768-K770 HydrophobicContact CE1-CG 4.49Å; K770-K773 WeakPolarHBondContact O-CE 3.19Å; K770-K773 PolarHBondContact O-NZ 2.86Å
771	I	94.8	Very high	93.5	Very high	130 Å²	130	89 Å²	89	67%	0.667	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-57.5	-177.8	-62.4	177.7	0	0	0	110	P753 N769 K773	P753-I771 HydrophobicContact CB-CB 4.43Å; P753-I771 HydrophobicContact CB-CD1 3.6Å; P753-I771 HydrophobicContact CB-CG1 3.71Å; P753-I771 HydrophobicContact CG-CD1 3.9Å; P753-I771 HydrophobicContact CG-CG1 4.23Å; N769-I771 PolarHBondContact O-N 3.11Å; N769-I771 PolarHBondContact OD1-N 3.23Å; I771-K773 VanDerWaalsContact C-N 3.28Å; I771-K773 PolarHBondContact O-N 2.99Å
772	T	94.8	Very high	93.6	Very high	75 Å²	75	85.2 Å²	85.2	46%	0.46	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.4	-175.4	65.6	0	0	0	0	113.5	N769 N774	N769-T772 VanDerWaalsContact CB-OG1 3.22Å; N769-T772 WeakPolarHBondContact CB-OG1 3.37Å; N769-T772 PolarHBondContact OD1-N 3.13Å; N769-T772 PolarHBondContact OD1-OG1 3.23Å; T772-N774 PolarHBondContact O-N 2.85Å; T772-N774 PolarHBondContact OG1-N 2.88Å
773	K	94.4	Very high	93.9	Very high	141 Å²	141	83 Å²	83	61%	0.613	41%	0.405	S	S	*	.			trans	63.2	13.3	-174.6	-49.8	-59.7	-177.3	-168.2	0	114.3	F768 N769 K770 I771	F768-K773 HydrophobicContact CE2-CB 4.34Å; F768-K773 WeakPolarHBondContact CE2-O 3.43Å; F768-K773 HydrophobicContact CZ-CB 4.4Å; F768-K773 HydrophobicContact CZ-CD 3.76Å; N769-K773 VanDerWaalsContact O-CA 3.24Å; N769-K773 WeakPolarHBondContact O-CA 3.18Å; N769-K773 PolarHBondContact O-N 3.36Å; K770-K773 WeakPolarHBondContact O-CE 3.19Å; K770-K773 PolarHBondContact O-NZ 2.86Å; I771-K773 VanDerWaalsContact C-N 3.28Å; I771-K773 PolarHBondContact O-N 2.99Å
774	N	94.2	Very high	94.1	Very high	102 Å²	102	75.5 Å²	75.5	55%	0.545	38%	0.379	S	S	.	.			trans	-76.3	146.1	176.3	-70	-15.5	0	0	0	111.6	F768 N769 T772	F768-N774 WeakPolarHBondContact CA-O 3.36Å; N769-N774 PolarHBondContact N-O 2.84Å; T772-N774 PolarHBondContact O-N 2.85Å; T772-N774 PolarHBondContact OG1-N 2.88Å
775	S	94.4	Very high	94.3	Very high	73 Å²	73	68 Å²	68	51%	0.51	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.8	175.5	-60.4	0	0	0	0	111	F767 F768	F767-S775 CarbonylContact O-C 3.51Å; F767-S775 VanDerWaalsContact O-CA 3.25Å; F767-S775 WeakPolarHBondContact O-CA 3.17Å; F768-S775 WeakPolarHBondContact CD2-OG 3.49Å
776	T	95.4	Very high	94.4	Very high	44 Å²	44	66.5 Å²	66.5	27%	0.27	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.1	173.6	179.8	0	0	0	0	111.4	W754 F766 F767 D778 P780	W754-T776 HydrophobicContact CH2-CG2 4.39Å; W754-T776 HydrophobicContact CZ3-CG2 4.18Å; F766-T776 WeakPolarHBondContact CB-O 3.49Å; F767-T776 HydrophobicContact CB-CG2 4.24Å; F767-T776 PolarHBondContact N-O 3.48Å; F767-T776 PolarHBondContact O-N 2.91Å; T776-D778 VanDerWaalsContact CG2-O 3.3Å; T776-D778 WeakPolarHBondContact CG2-O 3.48Å; T776-D778 PolarHBondContact OG1-N 2.8Å; T776-P780 HydrophobicContact CG2-CG 3.67Å
777	Y	93.8	Very high	94.4	Very high	106 Å²	106	65 Å²	65	42%	0.416	34%	0.34	S	S	.	.	S	Bend	trans	-88	-19.8	173.9	-69	-75.4	0	0	0	112.7	S762 R764 K765 F766	S762-Y777 PolarHBondContact OG-OH 2.89Å; R764-Y777 HydrophobicContact CB-CD1 4.31Å; R764-Y777 HydrophobicContact CB-CE1 4.01Å; K765-Y777 WeakPolarHBondContact O-CD1 3.02Å; F766-Y777 HydrophobicContact CB-CD1 3.68Å; F766-Y777 HydrophobicContact CB-CE1 3.65Å; F766-Y777 HydrophobicContact CB-CG 4.38Å; F766-Y777 HydrophobicContact CG-CE1 4.46Å
778	D	93.4	Very high	94.3	Very high	126 Å²	126	68.3 Å²	68.3	67%	0.674	36%	0.355	S	S	*	.	S	Bend	trans	-84.3	150.5	176.7	-58.3	-46.1	0	0	0	110	F767 T776 P780	F767-D778 WeakPolarHBondContact CD2-O 3.47Å; T776-D778 VanDerWaalsContact CG2-O 3.3Å; T776-D778 WeakPolarHBondContact CG2-O 3.48Å; T776-D778 PolarHBondContact OG1-N 2.8Å; D778-P780 WeakPolarHBondContact O-CD 3.33Å
779	L	90.6	Very high	94.3	Very high	90 Å²	90	67 Å²	67	47%	0.471	35%	0.352	S	S	.	.			trans	-68.5	111.6	179.5	176.6	66.7	0	0	0	110.6	F767 I784	F767-L779 HydrophobicContact CE1-CD1 3.87Å; F767-L779 HydrophobicContact CE2-CB 4.28Å; F767-L779 HydrophobicContact CE2-CD1 3.93Å; F767-L779 HydrophobicContact CZ-CD1 3.39Å; L779-I784 HydrophobicContact CD1-CG1 4.47Å; L779-I784 HydrophobicContact CD2-CD1 4.34Å; L779-I784 HydrophobicContact CD2-CG1 4.33Å; L779-I784 HydrophobicContact CG-CG1 4.45Å
780	P	93.5	Very high	94.3	Very high	19 Å²	19	66.8 Å²	66.8	12%	0.123	35%	0.351	C	S	.	.			trans	-68	139	173.1	-13.2	28	0	0	0	110.8	W754 F767 T776 D778 E782 S783	W754-P780 HydrophobicContact CD2-CB 4.24Å; W754-P780 HydrophobicContact CD2-CG 4.01Å; W754-P780 HydrophobicContact CE3-CB 4.44Å; W754-P780 HydrophobicContact CE3-CG 3.75Å; W754-P780 HydrophobicContact CH2-CB 4.06Å; W754-P780 HydrophobicContact CH2-CG 3.77Å; W754-P780 HydrophobicContact CZ2-CB 3.86Å; W754-P780 HydrophobicContact CZ2-CG 4.05Å; W754-P780 HydrophobicContact CZ3-CB 4.35Å; W754-P780 HydrophobicContact CZ3-CG 3.62Å; F767-P780 HydrophobicContact CB-CG 3.82Å; F767-P780 HydrophobicContact CD2-CG 4.49Å; F767-P780 VanDerWaalsContact CG-CD 3.47Å; F767-P780 HydrophobicContact CG-CG 4.06Å; T776-P780 HydrophobicContact CG2-CG 3.67Å; D778-P780 WeakPolarHBondContact O-CD 3.33Å; P780-E782 VanDerWaalsContact C-N 3.3Å; P780-E782 PolarHBondContact O-N 2.76Å; P780-S783 WeakPolarHBondContact CD-OG 3.45Å; P780-S783 PolarHBondContact O-N 3.31Å; P780-S783 PolarHBondContact O-OG 2.85Å
781	S	92.4	Very high	94.4	Very high	99 Å²	99	63.1 Å²	63.1	69%	0.692	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.1	-39.7	176.6	51.2	0	0	0	0	112.6	S783 I784	S781-S783 VanDerWaalsContact C-N 3.26Å; S781-S783 PolarHBondContact O-N 3.2Å; S781-I784 WeakPolarHBondContact O-CB 3.43Å; S781-I784 WeakPolarHBondContact O-CG1 3.17Å; S781-I784 PolarHBondContact O-N 3.1Å
782	E	93.4	Very high	94.4	Very high	129 Å²	129	63.7 Å²	63.7	60%	0.603	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.9	179	-65.1	178.7	177.4	0	0	113.9	W754 P780 I784	W754-E782 PolarHBondContact NE1-OE2 3.42Å; P780-E782 VanDerWaalsContact C-N 3.3Å; P780-E782 PolarHBondContact O-N 2.76Å; E782-I784 PolarHBondContact O-N 2.84Å
783	S	94.4	Very high	94.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-80.6	-7.4	178.5	84.4	0	0	0	0	112.4	V750 N751 W754 P780 S781 A785	V750-S783 CarbonylContact C-O 3.55Å; V750-S783 WeakPolarHBondContact CA-O 3.47Å; N751-S783 PolarHBondContact N-O 2.85Å; W754-S783 VanDerWaalsContact CB-CB 3.43Å; P780-S783 WeakPolarHBondContact CD-OG 3.45Å; P780-S783 PolarHBondContact O-N 3.31Å; P780-S783 PolarHBondContact O-OG 2.85Å; S781-S783 VanDerWaalsContact C-N 3.26Å; S781-S783 PolarHBondContact O-N 3.2Å; S783-A785 PolarHBondContact O-N 3.05Å
784	I	95.8	Very high	94.3	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.205	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-72.2	118	-177.8	-67	175.5	0	0	0	109.4	H671 L779 S781 E782 P786	H671-I784 HydrophobicContact CB-CG1 4.33Å; H671-I784 HydrophobicContact CB-CG2 4.05Å; L779-I784 HydrophobicContact CD1-CG1 4.47Å; L779-I784 HydrophobicContact CD2-CD1 4.34Å; L779-I784 HydrophobicContact CD2-CG1 4.33Å; L779-I784 HydrophobicContact CG-CG1 4.45Å; S781-I784 WeakPolarHBondContact O-CB 3.43Å; S781-I784 WeakPolarHBondContact O-CG1 3.17Å; S781-I784 PolarHBondContact O-N 3.1Å; E782-I784 PolarHBondContact O-N 2.84Å; I784-P786 WeakPolarHBondContact O-CD 3.19Å
785	A	95.8	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.			trans	-79.2	112.4	169	0	0	0	0	0	110.5	R675 T749 N751 S783 V789 C790	R675-A785 PolarHBondContact NH1-O 2.78Å; T749-A785 VanDerWaalsContact C-CB 3.42Å; T749-A785 VanDerWaalsContact O-CB 3.28Å; T749-A785 WeakPolarHBondContact O-CB 3.44Å; T749-A785 PolarHBondContact O-N 2.86Å; N751-A785 HydrophobicContact CB-CB 4.43Å; S783-A785 PolarHBondContact O-N 3.05Å; A785-V789 HydrophobicContact CB-CB 4.36Å; A785-V789 HydrophobicContact CB-CG1 4.09Å; A785-C790 PolarHBondContact O-SG 2.68Å
786	P	95.1	Very high	94.6	Very high	20 Å²	20	49.8 Å²	49.8	13%	0.13	25%	0.253	C	S	.	.			trans	-71	168.9	174.3	32.4	-37.6	0	0	0	110.9	R668 I784 H788 V789 C790	R668-P786 CarbonylContact O-C 3.28Å; R668-P786 WeakPolarHBondContact O-CA 3.33Å; R668-P786 WeakPolarHBondContact O-CB 3.31Å; I784-P786 WeakPolarHBondContact O-CD 3.19Å; P786-H788 VanDerWaalsContact C-N 3.31Å; P786-H788 WeakPolarHBondContact CG-CE1 3.43Å; P786-H788 PolarHBondContact O-N 2.83Å; P786-V789 HydrophobicContact CG-CB 4.24Å; P786-V789 HydrophobicContact CG-CG2 3.78Å; P786-V789 PolarHBondContact O-N 3.18Å; P786-C790 PolarHBondContact O-N 2.8Å
787	F	95.5	Very high	94.7	Very high	4 Å²	4	48 Å²	48	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-47.9	-49.2	-177.9	169.5	-97.1	0	0	0	113.1	F566 F598 D658 L660 R668 V789 C790 H791	F566-F787 HydrophobicContact CE1-CE1 4.34Å; F598-F787 AromaticContact CE1-CZ 3.79Å; F598-F787 HydrophobicContact CE1-CZ 3.79Å; F598-F787 HydrophobicContact CZ-CZ 4.14Å; D658-F787 HydrophobicContact CB-CD2 4.32Å; D658-F787 HydrophobicContact CB-CE2 4.28Å; L660-F787 HydrophobicContact CD1-CD2 3.93Å; L660-F787 HydrophobicContact CD1-CE1 4.48Å; L660-F787 HydrophobicContact CD1-CE2 3.63Å; L660-F787 HydrophobicContact CD1-CG 4.49Å; L660-F787 HydrophobicContact CD1-CZ 3.95Å; L660-F787 HydrophobicContact CD2-CD1 3.95Å; L660-F787 HydrophobicContact CD2-CE1 3.68Å; L660-F787 HydrophobicContact CD2-CE2 4.3Å; L660-F787 HydrophobicContact CD2-CG 4.39Å; L660-F787 HydrophobicContact CD2-CZ 3.89Å; L660-F787 HydrophobicContact CG-CD1 4.11Å; L660-F787 HydrophobicContact CG-CD2 3.99Å; L660-F787 HydrophobicContact CG-CE1 4.16Å; L660-F787 HydrophobicContact CG-CE2 4.03Å; L660-F787 HydrophobicContact CG-CG 4.04Å; L660-F787 HydrophobicContact CG-CZ 4.13Å; R668-F787 HydrophobicContact CB-CB 3.98Å; R668-F787 HydrophobicContact CG-CB 4.14Å; R668-F787 PolarHBondContact O-N 2.89Å; F787-V789 VanDerWaalsContact C-N 3.3Å; F787-V789 PolarHBondContact O-N 2.96Å; F787-C790 PolarHBondContact O-N 3.24Å; F787-H791 HydrophobicContact CE1-CB 4.1Å; F787-H791 HydrophobicContact CE2-CB 4.2Å; F787-H791 HydrophobicContact CZ-CB 3.86Å; F787-H791 AromaticContact CZ-CG 3.84Å; F787-H791 AromaticContact CZ-ND1 3.72Å; F787-H791 VanDerWaalsContact O-CB 3.23Å; F787-H791 WeakPolarHBondContact O-CB 3.42Å; F787-H791 PolarHBondContact O-N 3.12Å
788	H	94.2	Very high	94.8	Very high	91 Å²	91	49.1 Å²	49.1	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-35.5	-176.3	66.3	-91.8	0	0	0	112.7	I565 P786 Y792	I565-H788 HydrophobicContact CD1-CB 4.04Å; I565-H788 HydrophobicContact CG2-CB 3.56Å; P786-H788 VanDerWaalsContact C-N 3.31Å; P786-H788 WeakPolarHBondContact CG-CE1 3.43Å; P786-H788 PolarHBondContact O-N 2.83Å; H788-Y792 WeakPolarHBondContact O-CB 3.4Å; H788-Y792 PolarHBondContact O-N 3.29Å
789	V	94.8	Very high	94.9	Very high	29 Å²	29	44.1 Å²	44.1	18%	0.176	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-47	175.1	175.3	0	0	0	0	110.4	A785 P786 F787 H791 Y792 S793	A785-V789 HydrophobicContact CB-CB 4.36Å; A785-V789 HydrophobicContact CB-CG1 4.09Å; P786-V789 HydrophobicContact CG-CB 4.24Å; P786-V789 HydrophobicContact CG-CG2 3.78Å; P786-V789 PolarHBondContact O-N 3.18Å; F787-V789 VanDerWaalsContact C-N 3.3Å; F787-V789 PolarHBondContact O-N 2.96Å; V789-H791 VanDerWaalsContact C-N 3.3Å; V789-H791 PolarHBondContact O-N 2.6Å; V789-Y792 PolarHBondContact O-N 3.11Å; V789-S793 WeakPolarHBondContact O-CB 3.37Å; V789-S793 PolarHBondContact O-N 3.34Å; V789-S793 PolarHBondContact O-OG 3.14Å
790	C	96.1	Very high	94.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-44.8	176.1	-66.6	0	0	0	0	111.3	R675 V747 R748 A785 P786 F787 R794	R675-C790 PolarHBondContact NH2-SG 3.29Å; R675-C790 VanDerWaalsContact NH2-SG 3.42Å; V747-C790 HydrophobicContact CG1-CB 3.69Å; R748-C790 PolarHBondContact O-SG 3.49Å; A785-C790 PolarHBondContact O-SG 2.68Å; P786-C790 PolarHBondContact O-N 2.8Å; F787-C790 PolarHBondContact O-N 3.24Å; C790-R794 WeakPolarHBondContact O-CB 3.5Å; C790-R794 PolarHBondContact O-N 3.29Å
791	H	95.3	Very high	94.2	Very high	6 Å²	6	47 Å²	47	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-52.6	-179.9	-171.2	81.5	0	0	0	110.7	I565 Y568 Q596 F598 F787 V789 S793 R794	I565-H791 PolarHBondContact O-CD2 2.88Å; I565-H791 PolarHBondContact O-NE2 2.97Å; Y568-H791 PolarHBondContact O-NE2 3.1Å; Q596-H791 PolarHBondContact NE2-CE1 2.83Å; Q596-H791 PolarHBondContact NE2-ND1 2.9Å; F598-H791 AromaticContact CZ-CE1 3.63Å; F787-H791 HydrophobicContact CE1-CB 4.1Å; F787-H791 HydrophobicContact CE2-CB 4.2Å; F787-H791 HydrophobicContact CZ-CB 3.86Å; F787-H791 AromaticContact CZ-CG 3.84Å; F787-H791 AromaticContact CZ-ND1 3.72Å; F787-H791 VanDerWaalsContact O-CB 3.23Å; F787-H791 WeakPolarHBondContact O-CB 3.42Å; F787-H791 PolarHBondContact O-N 3.12Å; V789-H791 VanDerWaalsContact C-N 3.3Å; V789-H791 PolarHBondContact O-N 2.6Å; H791-S793 PolarHBondContact O-N 2.93Å; H791-R794 PolarHBondContact CD2-NH1 3.34Å; H791-R794 PolarHBondContact CE1-NH1 3.34Å; H791-R794 VanDerWaalsContact CE1-NH1 3.28Å; H791-R794 PolarHBondContact CE1-NH2 2.98Å; H791-R794 PolarHBondContact ND1-NH1 2.83Å; H791-R794 PolarHBondContact NE2-NH1 2.91Å; H791-R794 PolarHBondContact NE2-NH2 3.09Å; H791-R794 VanDerWaalsContact O-CD 3.29Å; H791-R794 WeakPolarHBondContact O-CD 3.25Å; H791-R794 WeakPolarHBondContact O-CG 3.33Å; H791-R794 PolarHBondContact O-N 3.31Å; H791-R794 PolarHBondContact O-NH1 3.41Å
792	Y	94.3	Very high	94	Very high	142 Å²	142	43 Å²	43	56%	0.557	21%	0.213	S	C	*	.	H	α-helix	trans	-60.2	-45.4	-179.3	173.4	-101.7	0	0	0	113	Y568 H788 V789 R794	Y568-Y792 AromaticContact CD1-CD2 3.8Å; Y568-Y792 HydrophobicContact CD1-CD2 3.8Å; Y568-Y792 HydrophobicContact CD1-CE2 4.11Å; Y568-Y792 AromaticContact CD2-CD2 3.76Å; Y568-Y792 HydrophobicContact CD2-CD2 3.76Å; Y568-Y792 AromaticContact CE1-CD2 3.74Å; Y568-Y792 HydrophobicContact CE1-CD2 3.74Å; Y568-Y792 AromaticContact CE1-CE2 3.79Å; Y568-Y792 HydrophobicContact CE1-CE2 3.79Å; Y568-Y792 AromaticContact CE2-CD2 3.7Å; Y568-Y792 HydrophobicContact CE2-CD2 3.7Å; Y568-Y792 HydrophobicContact CE2-CE2 4.44Å; Y568-Y792 AromaticContact CG-CD2 3.84Å; Y568-Y792 HydrophobicContact CG-CD2 3.84Å; Y568-Y792 AromaticContact CZ-CD2 3.72Å; Y568-Y792 AromaticContact CZ-CE2 4Å; H788-Y792 WeakPolarHBondContact O-CB 3.4Å; H788-Y792 PolarHBondContact O-N 3.29Å; V789-Y792 PolarHBondContact O-N 3.11Å; Y792-R794 VanDerWaalsContact C-N 3.29Å; Y792-R794 PolarHBondContact O-N 3.23Å
793	S	93.3	Very high	94	Very high	31 Å²	31	37.1 Å²	37.1	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	3.4	-173.8	64.5	0	0	0	0	114.8	V789 H791	V789-S793 WeakPolarHBondContact O-CB 3.37Å; V789-S793 PolarHBondContact O-N 3.34Å; V789-S793 PolarHBondContact O-OG 3.14Å; H791-S793 PolarHBondContact O-N 2.93Å
794	R	95.4	Very high	93.9	Very high	16 Å²	16	39.7 Å²	39.7	6%	0.06	20%	0.197	C	C	.	.			trans	-68.7	137	-176.1	77.3	-165.3	-175.5	-79.5	9.9	111.7	Y568 P570 T571 Q596 I746 V747 C790 H791 Y792	Y568-R794 PolarHBondContact O-NH1 2.95Å; Y568-R794 PolarHBondContact O-NH2 3.39Å; P570-R794 HydrophobicContact CB-CG 3.84Å; T571-R794 PolarHBondContact N-O 2.79Å; Q596-R794 VanDerWaalsContact OE1-CZ 3.26Å; I746-R794 WeakPolarHBondContact O-CA 3.49Å; V747-R794 HydrophobicContact CG2-CB 4.32Å; C790-R794 WeakPolarHBondContact O-CB 3.5Å; C790-R794 PolarHBondContact O-N 3.29Å; H791-R794 PolarHBondContact CD2-NH1 3.34Å; H791-R794 PolarHBondContact CE1-NH1 3.34Å; H791-R794 VanDerWaalsContact CE1-NH1 3.28Å; H791-R794 PolarHBondContact CE1-NH2 2.98Å; H791-R794 PolarHBondContact ND1-NH1 2.83Å; H791-R794 PolarHBondContact NE2-NH1 2.91Å; H791-R794 PolarHBondContact NE2-NH2 3.09Å; H791-R794 VanDerWaalsContact O-CD 3.29Å; H791-R794 WeakPolarHBondContact O-CD 3.25Å; H791-R794 WeakPolarHBondContact O-CG 3.33Å; H791-R794 PolarHBondContact O-N 3.31Å; H791-R794 PolarHBondContact O-NH1 3.41Å; Y792-R794 VanDerWaalsContact C-N 3.29Å; Y792-R794 PolarHBondContact O-N 3.23Å
795	L	97.4	Very high	93.8	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151.2	172.5	-51.1	173.2	0	0	0	109.5	T571 L573 I581 Y745 I746	T571-L795 HydrophobicContact CG2-CD2 3.89Å; T571-L795 CarbonylContact O-C 3.47Å; T571-L795 WeakPolarHBondContact O-CA 3.38Å; L573-L795 HydrophobicContact CD1-CB 4.47Å; L573-L795 HydrophobicContact CD1-CD1 3.87Å; I581-L795 HydrophobicContact CD1-CD1 3.3Å; I581-L795 HydrophobicContact CG1-CD1 3.66Å; Y745-L795 WeakPolarHBondContact CA-O 3.34Å; I746-L795 HydrophobicContact CB-CB 4.23Å; I746-L795 PolarHBondContact N-O 3.4Å; I746-L795 PolarHBondContact O-N 2.92Å
796	F	97.6	Very high	93.7	Very high	36 Å²	36	39.8 Å²	39.8	16%	0.158	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.1	173.3	-175.9	-111.2	0	0	0	110.8	P570 T571 L573 Y745 E798	P570-F796 HydrophobicContact CB-CB 3.67Å; P570-F796 HydrophobicContact CG-CB 3.89Å; T571-F796 PolarHBondContact O-N 3.49Å; L573-F796 PolarHBondContact N-O 3.42Å; Y745-F796 HydrophobicContact CD1-CB 4.3Å; Y745-F796 AromaticContact CD1-CD2 3.71Å; Y745-F796 HydrophobicContact CD1-CD2 3.71Å; Y745-F796 HydrophobicContact CD1-CG 4.44Å; Y745-F796 HydrophobicContact CD2-CD2 4.3Å; Y745-F796 HydrophobicContact CD2-CE2 4.44Å; Y745-F796 HydrophobicContact CE1-CB 4.26Å; Y745-F796 AromaticContact CE1-CD2 3.58Å; Y745-F796 HydrophobicContact CE1-CD2 3.58Å; Y745-F796 HydrophobicContact CE1-CE2 4.27Å; Y745-F796 HydrophobicContact CE1-CG 4.2Å; Y745-F796 HydrophobicContact CE2-CD2 4.17Å; Y745-F796 HydrophobicContact CE2-CE2 4.13Å; Y745-F796 HydrophobicContact CG-CD2 4.07Å; Y745-F796 AromaticContact CZ-CD2 3.82Å; F796-E798 HydrophobicContact CD1-CB 4.1Å; F796-E798 HydrophobicContact CE1-CB 3.7Å; F796-E798 HydrophobicContact CE1-CG 4.04Å
797	W	97.1	Very high	93.4	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	99.8	172.6	-176.7	27.3	0	0	0	109.1	L573 M708 F712 G743 L744 W799 V803 V805 L817 K819 V822	L573-W797 HydrophobicContact CB-CB 3.81Å; L573-W797 HydrophobicContact CB-CG 4.33Å; L573-W797 HydrophobicContact CD2-CB 3.66Å; L573-W797 HydrophobicContact CD2-CD2 4.23Å; L573-W797 HydrophobicContact CD2-CG 3.78Å; L573-W797 HydrophobicContact CG-CB 4.37Å; M708-W797 HydrophobicContact SD-CZ3 4.45Å; F712-W797 HydrophobicContact CE1-CH2 4.03Å; F712-W797 HydrophobicContact CE1-CZ3 4.01Å; F712-W797 AromaticContact CZ-CH2 3.94Å; F712-W797 HydrophobicContact CZ-CH2 3.94Å; F712-W797 AromaticContact CZ-CZ3 3.75Å; F712-W797 HydrophobicContact CZ-CZ3 3.75Å; G743-W797 CarbonylContact C-O 3.59Å; G743-W797 WeakPolarHBondContact CA-O 3.47Å; L744-W797 HydrophobicContact CB-CE3 4.37Å; L744-W797 HydrophobicContact CD2-CE3 4.34Å; L744-W797 PolarHBondContact N-O 2.66Å; L744-W797 PolarHBondContact O-N 3.46Å; W797-W799 AromaticContact CD2-CD1 3.91Å; W797-W799 AromaticContact CD2-NE1 3.32Å; W797-W799 VanDerWaalsContact CD2-NE1 3.32Å; W797-W799 AromaticContact CE2-CD1 3.95Å; W797-W799 AromaticContact CE2-NE1 3.63Å; W797-W799 HydrophobicContact CE3-CZ2 4.32Å; W797-W799 AromaticContact CE3-NE1 3.25Å; W797-W799 AromaticContact CG-NE1 3.95Å; W797-W799 AromaticContact CH2-NE1 3.77Å; W797-W799 AromaticContact CZ2-NE1 3.85Å; W797-W799 HydrophobicContact CZ3-CZ2 4.08Å; W797-W799 AromaticContact CZ3-NE1 3.48Å; W797-V803 HydrophobicContact CZ2-CG1 4.21Å; W797-V805 HydrophobicContact CH2-CG1 3.64Å; W797-V805 HydrophobicContact CZ2-CG1 3.73Å; W797-V805 HydrophobicContact CZ3-CG1 4.49Å; W797-L817 WeakPolarHBondContact CZ2-O 3.28Å; W797-L817 PolarHBondContact NE1-O 3.35Å; W797-K819 HydrophobicContact CH2-CB 4.4Å; W797-V822 HydrophobicContact CD2-CG2 4.47Å; W797-V822 HydrophobicContact CH2-CB 4.4Å; W797-V822 HydrophobicContact CH2-CG2 4.08Å; W797-V822 HydrophobicContact CZ2-CG2 3.99Å; W797-V822 HydrophobicContact CZ3-CG2 4.33Å
798	E	95.8	Very high	93.1	Very high	129 Å²	129	47.6 Å²	47.6	60%	0.603	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.4	-179.3	-172	178.3	-177.8	0	0	111.1	F796 G800	F796-E798 HydrophobicContact CD1-CB 4.1Å; F796-E798 HydrophobicContact CE1-CB 3.7Å; F796-E798 HydrophobicContact CE1-CG 4.04Å; E798-G800 PolarHBondContact O-N 3.42Å
799	W	94.1	Very high	92.8	Very high	22 Å²	22	45.3 Å²	45.3	8%	0.083	23%	0.232	C	C	.	.			trans	-103.1	61.2	177.8	-65.3	-8.8	0	0	0	110.9	V591 I711 F712 L715 L729 P741 T742 L744 W797 V805	V591-W799 HydrophobicContact CG1-CZ3 4.36Å; I711-W799 HydrophobicContact CG2-CH2 4.1Å; F712-W799 HydrophobicContact CE1-CH2 4.43Å; F712-W799 AromaticContact CE1-CZ2 4Å; F712-W799 HydrophobicContact CE1-CZ2 4Å; L715-W799 HydrophobicContact CD1-CH2 3.94Å; L715-W799 HydrophobicContact CD1-CZ3 3.88Å; L715-W799 HydrophobicContact CD2-CH2 4.38Å; L715-W799 HydrophobicContact CD2-CZ3 3.83Å; L715-W799 HydrophobicContact CG-CZ3 4.49Å; L729-W799 HydrophobicContact CD2-CE3 4.01Å; L729-W799 HydrophobicContact CD2-CZ3 4.47Å; P741-W799 HydrophobicContact CB-CE3 3.87Å; P741-W799 HydrophobicContact CB-CZ3 3.83Å; P741-W799 HydrophobicContact CG-CE3 3.88Å; P741-W799 HydrophobicContact CG-CZ3 3.9Å; T742-W799 PolarHBondContact O-N 3.3Å; L744-W799 HydrophobicContact CB-CZ2 4Å; L744-W799 HydrophobicContact CD1-CZ2 4.34Å; W797-W799 AromaticContact CD2-CD1 3.91Å; W797-W799 AromaticContact CD2-NE1 3.32Å; W797-W799 VanDerWaalsContact CD2-NE1 3.32Å; W797-W799 AromaticContact CE2-CD1 3.95Å; W797-W799 AromaticContact CE2-NE1 3.63Å; W797-W799 HydrophobicContact CE3-CZ2 4.32Å; W797-W799 AromaticContact CE3-NE1 3.25Å; W797-W799 AromaticContact CG-NE1 3.95Å; W797-W799 AromaticContact CH2-NE1 3.77Å; W797-W799 AromaticContact CZ2-NE1 3.85Å; W797-W799 HydrophobicContact CZ3-CZ2 4.08Å; W797-W799 AromaticContact CZ3-NE1 3.48Å; W799-V805 HydrophobicContact CD2-CG1 4.17Å; W799-V805 HydrophobicContact CD2-CG2 4.1Å; W799-V805 HydrophobicContact CE3-CG2 4.19Å; W799-V805 HydrophobicContact CG-CG1 4.19Å; W799-V805 HydrophobicContact CG-CG2 4.42Å; W799-V805 HydrophobicContact CZ2-CG1 4.44Å
800	G	86.9	Confident	92.2	Very high	28 Å²	28	53.7 Å²	53.7	29%	0.289	27%	0.266	S	S	.	.			trans	-84.6	-170.8	176.5	0	0	0	0	0	113.8	E798 G802 V803	E798-G800 PolarHBondContact O-N 3.42Å; G800-G802 PolarHBondContact O-N 3.28Å; G800-V803 PolarHBondContact O-N 3.12Å
801	E	84.4	Confident	91.5	Very high	142 Å²	142	62.2 Å²	62.2	66%	0.664	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	137.1	173.4	-171.3	170.6	-168.8	0	0	111.1	R811 K816	E801-R811 IonicContact OE1-NH1 2.95Å; E801-R811 PolarHBondContact OE1-NH1 3.48Å; E801-K816 PolarHBondContact O-NZ 2.88Å
802	G	87.4	Confident	91.2	Very high	13 Å²	13	66.4 Å²	66.4	13%	0.134	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-8.5	-177	0	0	0	0	0	114.9	G800 Q812 D813	G800-G802 PolarHBondContact O-N 3.28Å; G802-Q812 CarbonylContact O-C 3.51Å; G802-Q812 WeakPolarHBondContact O-CA 3.35Å; G802-D813 PolarHBondContact O-N 2.91Å
803	V	92.4	Very high	90.9	Very high	6 Å²	6	62 Å²	62	4%	0.036	30%	0.304	C	S	.	.			trans	-93.7	117.8	175.7	-172.8	0	0	0	0	110.1	W797 G800 V805 Q809 K816 L817	W797-V803 HydrophobicContact CZ2-CG1 4.21Å; G800-V803 PolarHBondContact O-N 3.12Å; V803-V805 HydrophobicContact CG1-CG1 3.97Å; V803-Q809 PolarHBondContact O-NE2 2.83Å; V803-Q809 VanDerWaalsContact O-NE2 3.11Å; V803-K816 HydrophobicContact CG2-CB 4.1Å; V803-K816 HydrophobicContact CG2-CD 3.68Å; V803-L817 WeakPolarHBondContact CG1-O 3.38Å
804	K	93.8	Very high	90.5	Very high	55 Å²	55	66.5 Å²	66.5	24%	0.239	33%	0.333	C	S	.	.			trans	-95.3	111	178.1	-170.8	-176.2	179	-166.4	0	110.6	Q809 Q812 K819	K804-Q809 WeakPolarHBondContact CE-O 3.37Å; K804-Q809 HydrophobicContact CG-CB 4.17Å; K804-Q812 HydrophobicContact CB-CB 4.32Å; K804-Q812 HydrophobicContact CB-CG 4.36Å; K804-K819 PolarHBondContact O-N 3.05Å
805	V	93.7	Very high	90	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.006	37%	0.369	C	S	.	.			trans	-124.6	-7.4	177.1	-61.7	0	0	0	0	114.1	F712 L715 L729 W797 W799 V803 K819	F712-V805 HydrophobicContact CD1-CB 4.25Å; F712-V805 HydrophobicContact CE1-CB 4.08Å; F712-V805 HydrophobicContact CE1-CG1 4.29Å; L715-V805 HydrophobicContact CD1-CB 4.43Å; L715-V805 HydrophobicContact CD1-CG2 4.13Å; L729-V805 HydrophobicContact CD2-CG2 3.52Å; W797-V805 HydrophobicContact CH2-CG1 3.64Å; W797-V805 HydrophobicContact CZ2-CG1 3.73Å; W797-V805 HydrophobicContact CZ3-CG1 4.49Å; W799-V805 HydrophobicContact CD2-CG1 4.17Å; W799-V805 HydrophobicContact CD2-CG2 4.1Å; W799-V805 HydrophobicContact CE3-CG2 4.19Å; W799-V805 HydrophobicContact CG-CG1 4.19Å; W799-V805 HydrophobicContact CG-CG2 4.42Å; W799-V805 HydrophobicContact CZ2-CG1 4.44Å; V803-V805 HydrophobicContact CG1-CG1 3.97Å; V805-K819 HydrophobicContact CB-CB 4.4Å; V805-K819 HydrophobicContact CG1-CB 4.42Å; V805-K819 WeakPolarHBondContact O-CD 3.26Å
806	H	93.3	Very high	89.8	Confident	40 Å²	40	77.4 Å²	77.4	19%	0.185	38%	0.382	C	S	.	.	S	Bend	trans	-138.8	144.1	176.6	-175.4	-87.7	0	0	0	110.3	L715 L729 S808 Q809	L715-H806 PolarHBondContact O-CD2 3.48Å; L715-H806 VanDerWaalsContact O-CD2 3.28Å; L715-H806 PolarHBondContact O-NE2 3.4Å; L729-H806 HydrophobicContact CD1-CB 3.73Å; H806-S808 PolarHBondContact CE1-OG 3.11Å; H806-S808 WeakPolarHBondContact ND1-CB 3.27Å; H806-S808 PolarHBondContact ND1-N 3.09Å; H806-S808 PolarHBondContact ND1-OG 3.35Å; H806-S808 PolarHBondContact O-N 3.36Å; H806-S808 VanDerWaalsContact O-N 3.11Å; H806-Q809 WeakPolarHBondContact O-CB 3.32Å; H806-Q809 PolarHBondContact O-N 3.35Å
807	D	89	Confident	89.6	Confident	118 Å²	118	76.3 Å²	76.3	63%	0.631	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.4	-170	-60.7	-18.7	0	0	0	113.4	Q809	D807-Q809 PolarHBondContact O-N 3.41Å
808	S	88.6	Confident	89.5	Confident	70 Å²	70	76.1 Å²	76.1	49%	0.49	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.1	176	-48.8	0	0	0	0	114.5	H806 K810	H806-S808 PolarHBondContact CE1-OG 3.11Å; H806-S808 WeakPolarHBondContact ND1-CB 3.27Å; H806-S808 PolarHBondContact ND1-N 3.09Å; H806-S808 PolarHBondContact ND1-OG 3.35Å; H806-S808 PolarHBondContact O-N 3.36Å; H806-S808 VanDerWaalsContact O-N 3.11Å; S808-K810 PolarHBondContact O-N 3.23Å
809	Q	88.5	Confident	89.4	Confident	44 Å²	44	71.9 Å²	71.9	21%	0.206	36%	0.357	C	S	.	.			trans	-80.2	117.4	175.9	-66	174	-67.1	0	0	109.9	V803 K804 H806 D807	V803-Q809 PolarHBondContact O-NE2 2.83Å; V803-Q809 VanDerWaalsContact O-NE2 3.11Å; K804-Q809 WeakPolarHBondContact CE-O 3.37Å; K804-Q809 HydrophobicContact CG-CB 4.17Å; H806-Q809 WeakPolarHBondContact O-CB 3.32Å; H806-Q809 PolarHBondContact O-N 3.35Å; D807-Q809 PolarHBondContact O-N 3.41Å
810	K	82.6	Confident	89.4	Confident	205 Å²	205	74.3 Å²	74.3	89%	0.891	37%	0.37	S	S	*	.			trans	-93.1	-20.6	-174.4	-61.2	-175	-179.5	-177.4	0	114.6	S808	S808-K810 PolarHBondContact O-N 3.23Å
811	R	81.8	Confident	89.8	Confident	180 Å²	180	76.4 Å²	76.4	68%	0.679	37%	0.374	S	S	*	.			trans	-97.4	126.4	-179.4	-67.5	-176.8	-179.5	177.8	-1.5	109.1	E801	E801-R811 IonicContact OE1-NH1 2.95Å; E801-R811 PolarHBondContact OE1-NH1 3.48Å
812	Q	87.5	Confident	90.3	Very high	94 Å²	94	69.7 Å²	69.7	44%	0.439	34%	0.343	S	S	.	.			trans	-130.7	127.7	173.3	-178.7	173.6	-5.1	0	0	108.3	G802 K804	G802-Q812 CarbonylContact O-C 3.51Å; G802-Q812 WeakPolarHBondContact O-CA 3.35Å; K804-Q812 HydrophobicContact CB-CB 4.32Å; K804-Q812 HydrophobicContact CB-CG 4.36Å
813	D	88.8	Confident	90.6	Very high	51 Å²	51	70.1 Å²	70.1	27%	0.273	34%	0.342	S	S	.	.			trans	-88.2	118.1	170.8	-177.7	-13.5	0	0	0	107.8	G802 E815 K816	G802-D813 PolarHBondContact O-N 2.91Å; D813-E815 PolarHBondContact O-N 2.7Å; D813-E815 PolarHBondContact OD1-N 2.97Å; D813-K816 HydrophobicContact CB-CB 4.29Å; D813-K816 HydrophobicContact CB-CD 4.09Å; D813-K816 HydrophobicContact CB-CG 4.02Å; D813-K816 PolarHBondContact O-N 3.45Å; D813-K816 VanDerWaalsContact OD2-CE 3.3Å; D813-K816 WeakPolarHBondContact OD2-CE 3.19Å
814	P	84.4	Confident	90.7	Very high	125 Å²	125	73.2 Å²	73.2	81%	0.812	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.6	-177.3	25.9	-32.9	0	0	0	113.7	K816	P814-K816 VanDerWaalsContact C-N 3.33Å
815	E	86.1	Confident	90.8	Very high	175 Å²	175	71.5 Å²	71.5	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.4	174.9	-61.4	-170.1	169.1	0	0	113	D813	D813-E815 PolarHBondContact O-N 2.7Å; D813-E815 PolarHBondContact OD1-N 2.97Å
816	K	91.6	Very high	90.8	Very high	86 Å²	86	71.9 Å²	71.9	37%	0.374	36%	0.358	S	S	.	.	S	Bend	trans	-106.6	143.2	-179	-60.3	-172.9	-172.8	-178	0	111.4	E801 V803 D813 P814 S818	E801-K816 PolarHBondContact O-NZ 2.88Å; V803-K816 HydrophobicContact CG2-CB 4.1Å; V803-K816 HydrophobicContact CG2-CD 3.68Å; D813-K816 HydrophobicContact CB-CB 4.29Å; D813-K816 HydrophobicContact CB-CD 4.09Å; D813-K816 HydrophobicContact CB-CG 4.02Å; D813-K816 PolarHBondContact O-N 3.45Å; D813-K816 VanDerWaalsContact OD2-CE 3.3Å; D813-K816 WeakPolarHBondContact OD2-CE 3.19Å; P814-K816 VanDerWaalsContact C-N 3.33Å; K816-S818 PolarHBondContact O-N 3.43Å
817	L	94.3	Very high	90.7	Very high	12 Å²	12	75.3 Å²	75.3	6%	0.063	37%	0.374	C	S	.	.			trans	-67.4	122.6	177.1	-66.6	175	0	0	0	111.2	L573 L578 W797 V803 D821 V822	L573-L817 HydrophobicContact CD2-CD1 4.07Å; L573-L817 HydrophobicContact CG-CD1 3.81Å; L578-L817 HydrophobicContact CB-CD1 4.33Å; L578-L817 HydrophobicContact CD2-CD1 4.12Å; L578-L817 HydrophobicContact CD2-CD2 4.04Å; W797-L817 WeakPolarHBondContact CZ2-O 3.28Å; W797-L817 PolarHBondContact NE1-O 3.35Å; V803-L817 WeakPolarHBondContact CG1-O 3.38Å; L817-D821 HydrophobicContact CD2-CB 4.16Å; L817-V822 HydrophobicContact CB-CG2 4.11Å; L817-V822 HydrophobicContact CD1-CG2 4.31Å
818	S	94.6	Very high	90.8	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.014	37%	0.373	C	S	.	.			trans	-84.2	168.3	168.6	68.4	0	0	0	0	112.1	K816 E820 D821 V822	K816-S818 PolarHBondContact O-N 3.43Å; S818-E820 VanDerWaalsContact C-N 3.26Å; S818-E820 PolarHBondContact O-N 3.1Å; S818-E820 PolarHBondContact OG-N 3.24Å; S818-D821 WeakPolarHBondContact CB-OD2 3.34Å; S818-D821 PolarHBondContact N-OD2 2.91Å; S818-D821 PolarHBondContact O-N 2.81Å; S818-D821 PolarHBondContact OG-N 3.47Å; S818-D821 PolarHBondContact OG-OD2 3.11Å; S818-V822 WeakPolarHBondContact O-CG2 3.38Å; S818-V822 PolarHBondContact O-N 3.2Å
819	K	94.8	Very high	90.7	Very high	40 Å²	40	72.8 Å²	72.8	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-54.9	-43.7	169.8	162.9	-172.1	170.5	-160	0	111.5	F712 W797 K804 V805 D821 V822 L823	F712-K819 HydrophobicContact CB-CD 4.07Å; F712-K819 HydrophobicContact CD1-CB 4.44Å; F712-K819 HydrophobicContact CD1-CD 3.77Å; F712-K819 HydrophobicContact CD1-CG 4.06Å; F712-K819 HydrophobicContact CD2-CD 3.96Å; F712-K819 HydrophobicContact CD2-CG 4Å; F712-K819 HydrophobicContact CE1-CB 4.02Å; F712-K819 HydrophobicContact CE1-CD 4.15Å; F712-K819 HydrophobicContact CE1-CG 3.92Å; F712-K819 HydrophobicContact CE2-CD 4.32Å; F712-K819 HydrophobicContact CE2-CG 3.86Å; F712-K819 HydrophobicContact CG-CD 3.67Å; F712-K819 HydrophobicContact CG-CG 4.1Å; F712-K819 HydrophobicContact CZ-CB 4.13Å; F712-K819 HydrophobicContact CZ-CD 4.41Å; F712-K819 HydrophobicContact CZ-CG 3.81Å; W797-K819 HydrophobicContact CH2-CB 4.4Å; K804-K819 PolarHBondContact O-N 3.05Å; V805-K819 HydrophobicContact CB-CB 4.4Å; V805-K819 HydrophobicContact CG1-CB 4.42Å; V805-K819 WeakPolarHBondContact O-CD 3.26Å; K819-D821 VanDerWaalsContact C-N 3.33Å; K819-D821 PolarHBondContact O-N 3.48Å; K819-V822 PolarHBondContact O-N 3.28Å; K819-L823 HydrophobicContact CD-CD1 4.32Å; K819-L823 HydrophobicContact CG-CD1 3.65Å; K819-L823 HydrophobicContact CG-CG 4.22Å; K819-L823 WeakPolarHBondContact O-CB 3.44Å; K819-L823 WeakPolarHBondContact O-CG 3.42Å; K819-L823 PolarHBondContact O-N 3.48Å
820	E	93.8	Very high	90.4	Very high	74 Å²	74	74 Å²	74	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-39.7	-179.1	-68.8	69.3	-148.4	0	0	111.5	S818 S824	S818-E820 VanDerWaalsContact C-N 3.26Å; S818-E820 PolarHBondContact O-N 3.1Å; S818-E820 PolarHBondContact OG-N 3.24Å; E820-S824 WeakPolarHBondContact O-CB 3.23Å; E820-S824 PolarHBondContact O-N 2.85Å; E820-S824 PolarHBondContact O-OG 3.38Å
821	D	94.3	Very high	89.2	Confident	71 Å²	71	71.6 Å²	71.6	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-48.6	177.5	-58.3	-45.8	0	0	0	111.3	L817 S818 K819 F825	L817-D821 HydrophobicContact CD2-CB 4.16Å; S818-D821 WeakPolarHBondContact CB-OD2 3.34Å; S818-D821 PolarHBondContact N-OD2 2.91Å; S818-D821 PolarHBondContact O-N 2.81Å; S818-D821 PolarHBondContact OG-N 3.47Å; S818-D821 PolarHBondContact OG-OD2 3.11Å; K819-D821 VanDerWaalsContact C-N 3.33Å; K819-D821 PolarHBondContact O-N 3.48Å; D821-F825 WeakPolarHBondContact O-CB 3.37Å; D821-F825 PolarHBondContact O-N 2.59Å; D821-F825 VanDerWaalsContact O-N 3.07Å
822	V	95	Very high	89.6	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-44.1	-178.3	179	0	0	0	0	111.3	L573 M708 W797 L817 S818 K819 F825 I826	L573-V822 HydrophobicContact CD2-CG2 4.41Å; M708-V822 HydrophobicContact SD-CG1 4Å; W797-V822 HydrophobicContact CD2-CG2 4.47Å; W797-V822 HydrophobicContact CH2-CB 4.4Å; W797-V822 HydrophobicContact CH2-CG2 4.08Å; W797-V822 HydrophobicContact CZ2-CG2 3.99Å; W797-V822 HydrophobicContact CZ3-CG2 4.33Å; L817-V822 HydrophobicContact CB-CG2 4.11Å; L817-V822 HydrophobicContact CD1-CG2 4.31Å; S818-V822 WeakPolarHBondContact O-CG2 3.38Å; S818-V822 PolarHBondContact O-N 3.2Å; K819-V822 PolarHBondContact O-N 3.28Å; V822-F825 PolarHBondContact O-N 3.13Å; V822-I826 HydrophobicContact CG1-CD1 3.9Å; V822-I826 VanDerWaalsContact O-CG1 3.32Å; V822-I826 WeakPolarHBondContact O-CG1 3.23Å; V822-I826 PolarHBondContact O-N 3.01Å
823	L	94.8	Very high	89.7	Confident	23 Å²	23	64.7 Å²	64.7	12%	0.12	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-41.9	178.6	-73.5	179.3	0	0	0	111.9	E709 F712 K819 F825 I826 Q827	E709-L823 HydrophobicContact CB-CD2 4.24Å; F712-L823 HydrophobicContact CD2-CD1 4.21Å; F712-L823 HydrophobicContact CE2-CD1 4.07Å; F712-L823 HydrophobicContact CE2-CD2 3.95Å; F712-L823 HydrophobicContact CE2-CG 4.04Å; K819-L823 HydrophobicContact CD-CD1 4.32Å; K819-L823 HydrophobicContact CG-CD1 3.65Å; K819-L823 HydrophobicContact CG-CG 4.22Å; K819-L823 WeakPolarHBondContact O-CB 3.44Å; K819-L823 WeakPolarHBondContact O-CG 3.42Å; K819-L823 PolarHBondContact O-N 3.48Å; L823-F825 VanDerWaalsContact C-N 3.31Å; L823-F825 PolarHBondContact O-N 3.43Å; L823-I826 PolarHBondContact O-N 3.05Å; L823-Q827 WeakPolarHBondContact O-CB 3.29Å; L823-Q827 WeakPolarHBondContact O-CG 3.33Å; L823-Q827 PolarHBondContact O-N 2.97Å
824	S	94.3	Very high	89.7	Confident	70 Å²	70	65.4 Å²	65.4	49%	0.49	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-41.1	176.9	-58.4	0	0	0	0	111.2	E820 Q827 A828	E820-S824 WeakPolarHBondContact O-CB 3.23Å; E820-S824 PolarHBondContact O-N 2.85Å; E820-S824 PolarHBondContact O-OG 3.38Å; S824-Q827 PolarHBondContact O-N 3.2Å; S824-A828 WeakPolarHBondContact O-CB 3.3Å; S824-A828 PolarHBondContact O-N 3.04Å
825	F	95.1	Very high	90.1	Very high	19 Å²	19	61.9 Å²	61.9	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-46.7	174.8	177.7	-88.8	0	0	0	112.1	L578 I581 D821 V822 L823 A828 H829	L578-F825 HydrophobicContact CD1-CB 4.43Å; L578-F825 HydrophobicContact CD1-CD1 3.62Å; L578-F825 HydrophobicContact CD1-CE1 4.03Å; L578-F825 HydrophobicContact CD1-CG 3.98Å; L578-F825 HydrophobicContact CD2-CB 3.91Å; L578-F825 HydrophobicContact CD2-CD1 4.44Å; L578-F825 HydrophobicContact CD2-CD2 4.24Å; L578-F825 HydrophobicContact CD2-CG 3.94Å; L578-F825 HydrophobicContact CG-CB 4.24Å; L578-F825 HydrophobicContact CG-CD1 3.83Å; L578-F825 HydrophobicContact CG-CD2 3.97Å; L578-F825 HydrophobicContact CG-CE1 4.18Å; L578-F825 HydrophobicContact CG-CE2 4.3Å; L578-F825 HydrophobicContact CG-CG 3.73Å; L578-F825 HydrophobicContact CG-CZ 4.4Å; L578-F825 WeakPolarHBondContact O-CE1 3.33Å; L578-F825 WeakPolarHBondContact O-CZ 3.33Å; I581-F825 HydrophobicContact CB-CE1 4.33Å; D821-F825 WeakPolarHBondContact O-CB 3.37Å; D821-F825 PolarHBondContact O-N 2.59Å; D821-F825 VanDerWaalsContact O-N 3.07Å; V822-F825 PolarHBondContact O-N 3.13Å; L823-F825 VanDerWaalsContact C-N 3.31Å; L823-F825 PolarHBondContact O-N 3.43Å; F825-A828 PolarHBondContact O-N 3.18Å; F825-H829 AromaticContact CD2-CE1 3.73Å; F825-H829 AromaticContact CD2-ND1 3.75Å; F825-H829 AromaticContact CE1-ND1 3.95Å; F825-H829 AromaticContact CE2-CE1 3.31Å; F825-H829 WeakPolarHBondContact CE2-CE1 3.3Å; F825-H829 AromaticContact CE2-ND1 3.56Å; F825-H829 AromaticContact CZ-CE1 3.71Å; F825-H829 AromaticContact CZ-ND1 3.66Å; F825-H829 PolarHBondContact O-N 3.41Å; F825-H829 VanDerWaalsContact O-N 3.16Å; F825-H829 PolarHBondContact O-ND1 3.48Å
826	I	93.8	Very high	90.3	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-46.7	179.6	-71.4	168.3	0	0	0	110.4	V584 L705 M708 V822 L823 A828 H829 Y830	V584-I826 HydrophobicContact CG1-CG2 3.93Å; L705-I826 HydrophobicContact CD1-CD1 3.81Å; L705-I826 HydrophobicContact CG-CD1 4.07Å; L705-I826 HydrophobicContact CG-CG1 4.48Å; M708-I826 HydrophobicContact CB-CD1 4.41Å; M708-I826 HydrophobicContact SD-CD1 4.09Å; V822-I826 HydrophobicContact CG1-CD1 3.9Å; V822-I826 VanDerWaalsContact O-CG1 3.32Å; V822-I826 WeakPolarHBondContact O-CG1 3.23Å; V822-I826 PolarHBondContact O-N 3.01Å; L823-I826 PolarHBondContact O-N 3.05Å; I826-A828 VanDerWaalsContact C-N 3.35Å; I826-A828 PolarHBondContact O-N 2.78Å; I826-H829 CarbonylContact O-C 3.44Å; I826-H829 PolarHBondContact O-N 3.33Å; I826-Y830 WeakPolarHBondContact O-CB 3.5Å; I826-Y830 PolarHBondContact O-N 3.28Å
827	Q	91.3	Very high	90.2	Very high	111 Å²	111	52.8 Å²	52.8	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.3	-72.3	173.9	-1.3	0	0	112.2	L823 S824 H829 Y830	L823-Q827 WeakPolarHBondContact O-CB 3.29Å; L823-Q827 WeakPolarHBondContact O-CG 3.33Å; L823-Q827 PolarHBondContact O-N 2.97Å; S824-Q827 PolarHBondContact O-N 3.2Å; Q827-H829 VanDerWaalsContact C-N 3.26Å; Q827-H829 PolarHBondContact O-N 3.22Å; Q827-Y830 CarbonylContact O-C 3.58Å; Q827-Y830 VanDerWaalsContact O-C 3.24Å; Q827-Y830 PolarHBondContact O-N 2.95Å
828	A	91	Very high	89.9	Confident	73 Å²	73	55.7 Å²	55.7	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-64.5	-31.1	177	0	0	0	0	0	112.9	S824 F825 I826	S824-A828 WeakPolarHBondContact O-CB 3.3Å; S824-A828 PolarHBondContact O-N 3.04Å; F825-A828 PolarHBondContact O-N 3.18Å; I826-A828 VanDerWaalsContact C-N 3.35Å; I826-A828 PolarHBondContact O-N 2.78Å
829	H	87.3	Confident	89.6	Confident	62 Å²	62	59.8 Å²	59.8	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-101.5	-0.1	-178.9	-66	88	0	0	0	113.7	V584 F825 I826 Q827	V584-H829 HydrophobicContact CG2-CB 3.89Å; F825-H829 AromaticContact CD2-CE1 3.73Å; F825-H829 AromaticContact CD2-ND1 3.75Å; F825-H829 AromaticContact CE1-ND1 3.95Å; F825-H829 AromaticContact CE2-CE1 3.31Å; F825-H829 WeakPolarHBondContact CE2-CE1 3.3Å; F825-H829 AromaticContact CE2-ND1 3.56Å; F825-H829 AromaticContact CZ-CE1 3.71Å; F825-H829 AromaticContact CZ-ND1 3.66Å; F825-H829 PolarHBondContact O-N 3.41Å; F825-H829 VanDerWaalsContact O-N 3.16Å; F825-H829 PolarHBondContact O-ND1 3.48Å; I826-H829 CarbonylContact O-C 3.44Å; I826-H829 PolarHBondContact O-N 3.33Å; Q827-H829 VanDerWaalsContact C-N 3.26Å; Q827-H829 PolarHBondContact O-N 3.22Å
830	Y	80.9	Confident	89.1	Confident	70 Å²	70	61.5 Å²	61.5	28%	0.275	35%	0.347	S	S	.	.			trans	-150.5	77.4	171.8	-178	-103.5	0	0	0	110.4	L585 E706 I826 Q827	L585-Y830 HydrophobicContact CD1-CD2 4.37Å; L585-Y830 HydrophobicContact CD1-CE2 4.12Å; L585-Y830 HydrophobicContact CD2-CD2 3.9Å; L585-Y830 HydrophobicContact CD2-CE2 3.6Å; L585-Y830 HydrophobicContact CG-CD2 4.11Å; L585-Y830 HydrophobicContact CG-CE2 4.11Å; E706-Y830 HydrophobicContact CB-CD1 3.51Å; E706-Y830 HydrophobicContact CB-CE1 3.67Å; E706-Y830 HydrophobicContact CB-CG 4.09Å; E706-Y830 HydrophobicContact CG-CD1 4.16Å; E706-Y830 HydrophobicContact CG-CE1 3.79Å; I826-Y830 WeakPolarHBondContact O-CB 3.5Å; I826-Y830 PolarHBondContact O-N 3.28Å; Q827-Y830 CarbonylContact O-C 3.58Å; Q827-Y830 VanDerWaalsContact O-C 3.24Å; Q827-Y830 PolarHBondContact O-N 2.95Å
831	P	58.1	Low	88.7	Confident	154 Å²	154	60.4 Å²	60.4	100%	1	35%	0.347	S	S	*	.			trans	-83.5	0	179.9	32.1	-34.9	0	0	0	114.4

Retrieved 831 of 831 residues in 317.2 ms (Link to these results)

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