A0A087XPC4_POEFO Loading...

Dimethylglycine dehydrogenase, mitochondrial

Catalyzes the demethylation of N,N-dimethylglycine to sarcosine. Also has activity with sarcosine in vitro.

AlphaFold DB , UniProt , Accession A0A087XPC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 870 aa.

						>A0A087XPC4_POEFO|A0A087XPC4
MSRILNLISIQLRKDFSACGGIPRLPARTICCTARKHGEEGDAASALGKRWKDTADTVIIGGGCVGASLAYHLAKGGVKDVVLLEKSELTAGSTWHAAGLTTYYHPGINLKKVHFDSIKLYETLEAETGQAVGFHQPGSVRIASTAARVDEMKYQMTRTHWHVTPQYFIGPEKVHELFPLLNIDKVLAGLYTPGDGHIDPYSLTMALAAGARMYGAQIYNPAPVTGLDPTADGKWDVQTPHGTIRANRIVNTAGFWAREVGQMIGFQHPTIPVHHQYVVTATVPEVKALKKELAVIRDLEGSYYLRQERDGLLFGPYEKMEKMVLQDSWVRDGVPPGFGKELFESDLDRIMEHVEMAMDMVPVLKKADIINVVSGPITYTPDLLPMVGPHQGFRNYWTAIGFGYGVIHAGGIGKFLSDWIRNGEPPYDLIECDPNRYGKWTDVPFMCAKARESYGFNNVVGYPKEERFGGRPTSRTSGVYELLKDKCSMGFHAGWEQPHWFYKPGDDTGYKPSFRRTNWFGPVGRECRLVMEKVGVIDLTPFGKFIVKGKDSLKLLDRLFANTLPKVGQTNISHMLTPAGRVFAEVTITQLTPGEFLLVTGSGSELHDLRWMEAEAAEGRYDVDIRNVTDDVGVLGIAGPNSRKVLQKLTDEDMSDGGFKFLHCRNIQLAGVPVRAIRISYTGELGWELYMDQKNLAAVYQAMMAAGKDEGIDNFGTYAMASLRLEKGFRGWGAEMNCDTNPLEAGLDYFIKLNKPADFIGKAALQEIKAKGLKRKLSYLSVRTDDVDPEGNETIWFNGKVVGNTTSGAYSYSSQQSLAFGYLPLELCSVGQQVEVELLGKKNPATVIQEPLVLTEPTRTRLAKKGKAKA
					

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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	31.7	Very low	31.2	Very low	256 Å²	256	152 Å²	152	100%	1.261	78%	0.778	S	S	*	*				0	172.3	0	-74.8	175.8	171.3	0	0	109.1
2	S	28.6	Very low	31	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	78%	0.781	S	S	*	*			trans	-130.4	136	-158.2	-170.2	0	0	0	0	114.4
3	R	32.4	Very low	30.9	Very low	230 Å²	230	157.4 Å²	157.4	87%	0.868	78%	0.784	S	S	*	*			trans	61.6	147.6	162.5	-68.4	172.4	174.7	-166.8	-2.4	119.4
4	I	32.7	Very low	30.6	Very low	153 Å²	153	160.9 Å²	160.9	79%	0.785	79%	0.793	S	S	*	*				-177.4	122.3	125.8	-97.5	158.2	0	0	0	110.8
5	L	35.8	Very low	30.5	Very low	141 Å²	141	158.4 Å²	158.4	74%	0.738	78%	0.784	S	S	*	*			trans	46.1	160.9	134.1	-51.3	-174.3	0	0	0	120.8
6	N	35.7	Very low	30.3	Very low	122 Å²	122	160.4 Å²	160.4	65%	0.652	79%	0.787	S	S	*	*			cis	-167.2	176.6	-0.2	-110.6	-4.3	0	0	0	107.6
7	L	30.5	Very low	30.1	Very low	133 Å²	133	157.4 Å²	157.4	70%	0.696	79%	0.785	S	S	*	*			cis	-164.3	174.3	-6.2	-119.9	167.5	0	0	0	110.6
8	I	28.7	Very low	30	Very low	147 Å²	147	154.3 Å²	154.3	75%	0.754	79%	0.789	S	S	*	*			trans	76.5	170.6	152.5	-83.8	160.7	0	0	0	119.2
9	S	27.6	Very low	29.8	Very low	91 Å²	91	153.6 Å²	153.6	64%	0.636	80%	0.797	S	S	*	*			trans	-172.2	-158.3	-148.2	55.7	0	0	0	0	111.4
10	I	32	Very low	29.7	Very low	137 Å²	137	150 Å²	150	70%	0.703	80%	0.799	S	S	*	*			trans	84.6	134.8	168.5	-58.2	157.9	0	0	0	113.7
11	Q	27.8	Very low	29.5	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	80%	0.803	S	S	*	*			cis	-156.3	147.9	36.7	-161.5	102.5	48.7	0	0	116.4
12	L	28.5	Very low	29.3	Very low	157 Å²	157	141.8 Å²	141.8	82%	0.822	78%	0.779	S	S	*	*			trans	65.5	158.9	145.6	-90.2	169.7	0	0	0	125.4
13	R	30.1	Very low	29.9	Very low	217 Å²	217	142.2 Å²	142.2	82%	0.819	78%	0.78	S	S	*	*			trans	-121	169.3	178.1	-60.5	179.1	178.4	179.7	-0.8	111.8
14	K	27	Very low	29.7	Very low	207 Å²	207	142 Å²	142	90%	0.9	78%	0.779	S	S	*	*			trans	-158.9	166.1	146.5	-114.1	173.3	-177.2	-179	0	112.5
15	D	28.7	Very low	29.6	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	78%	0.781	S	S	*	*			trans	-124.4	-175.3	-157.6	-54.2	-85.1	0	0	0	115.2
16	F	27.5	Very low	29.5	Very low	191 Å²	191	141.2 Å²	141.2	84%	0.838	78%	0.783	S	S	*	*			trans	90.4	86.6	163.2	-72.1	-82	0	0	0	122.5
17	S	27	Very low	29.2	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	79%	0.788	S	S	*	*				22.5	145.2	123.6	65	0	0	0	0	124.6
18	A	27.7	Very low	29	Very low	103 Å²	103	145.2 Å²	145.2	85%	0.851	80%	0.799	S	S	*	*			trans	-149.3	160.9	148	0	0	0	0	0	113.1
19	C	27.2	Very low	28.9	Very low	140 Å²	140	144.4 Å²	144.4	95%	0.946	80%	0.801	S	S	*	*			trans	-73.3	171.1	-173	-54.1	0	0	0	0	115.1
20	G	26.3	Very low	28.9	Very low	81 Å²	81	147 Å²	147	84%	0.835	81%	0.806	S	S	*	*			cis	157.1	154.2	-4.3	0	0	0	0	0	112.2
21	G	25.8	Very low	28.5	Very low	86 Å²	86	146.4 Å²	146.4	89%	0.887	81%	0.813	S	S	*	*			trans	173.2	78.3	-179.3	0	0	0	0	0	119.4
22	I	27.7	Very low	28.4	Very low	148 Å²	148	143.9 Å²	143.9	76%	0.759	81%	0.812	S	S	*	*			trans	-67.5	155.8	176.2	-75.9	164.6	0	0	0	112.6
23	P	41.6	Very low	28.3	Very low	111 Å²	111	143 Å²	143	72%	0.721	81%	0.813	S	S	*	*			cis	-134.7	146.1	37.5	14.7	13.3	0	0	0	119.5
24	R	29	Very low	28.5	Very low	226 Å²	226	137.7 Å²	137.7	85%	0.853	82%	0.816	S	S	*	*				64.2	128.6	98.9	-62.4	-174.3	173	-169.7	-1.5	116
25	L	29.9	Very low	28.5	Very low	157 Å²	157	139.5 Å²	139.5	82%	0.822	82%	0.817	S	S	*	*				-168	-178.6	60.9	-122.8	158.1	0	0	0	111.4
26	P	34.2	Very low	28.5	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	83%	0.828	S	S	*	*				-90.6	174.8	-103.3	38.6	-23.6	0	0	0	118.3
27	A	27.9	Very low	28.6	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	83%	0.831	S	S	*	*			trans	-91.3	164.8	-168.6	0	0	0	0	0	117.2
28	R	26.8	Very low	28.7	Very low	247 Å²	247	141.4 Å²	141.4	93%	0.932	83%	0.825	S	S	*	*			trans	-146.7	109.5	131.8	-113.8	177.5	-172.2	-167.7	1.6	113.5
29	T	26.6	Very low	29.2	Very low	129 Å²	129	146.1 Å²	146.1	79%	0.791	83%	0.83	S	S	*	*			trans	23.5	115.9	154.8	-41	0	0	0	0	120.7
30	I	27.8	Very low	29.6	Very low	146 Å²	146	148.8 Å²	148.8	75%	0.749	83%	0.828	S	S	*	*			trans	-92	149	154.5	-66.4	169.2	0	0	0	108.9	C32	I30-C32 WeakPolarHBondContact CG2-SG 3.48Å
31	C	23.2	Very low	30.2	Very low	125 Å²	125	148.2 Å²	148.2	85%	0.845	82%	0.823	S	S	*	*			trans	-120.2	116.7	159.2	-169.7	0	0	0	0	109.2
32	C	27.1	Very low	31.1	Very low	107 Å²	107	149.4 Å²	149.4	72%	0.723	81%	0.809	S	S	*	*			trans	-113	134.5	177	-75.3	0	0	0	0	110.7	I30	I30-C32 WeakPolarHBondContact CG2-SG 3.48Å
33	T	25.9	Very low	32	Very low	139 Å²	139	144 Å²	144	85%	0.853	79%	0.785	S	S	*	*			trans	-126.8	121.2	151.1	45.7	0	0	0	0	108.2
34	A	32.9	Very low	32.5	Very low	105 Å²	105	140 Å²	140	87%	0.868	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74	137.4	-174	0	0	0	0	0	111.4
35	R	27.6	Very low	33.8	Very low	244 Å²	244	134.1 Å²	134.1	92%	0.921	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-97.2	144.4	155.3	-74.2	-172.4	173.5	-170.5	-1.7	108.7
36	K	28.9	Very low	35.4	Very low	204 Å²	204	129.8 Å²	129.8	89%	0.887	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64.2	139.3	176.3	-63.2	174.1	177.2	179	0	109.1	G38	K36-G38 PolarHBondContact O-N 3.05Å; K36-G38 VanDerWaalsContact O-N 3.17Å
37	H	30.5	Very low	37.3	Very low	198 Å²	198	125 Å²	125	92%	0.917	71%	0.71	S	S	*	*			trans	-64	113	155	-81.1	-73.9	0	0	0	108
38	G	29	Very low	39.4	Very low	60 Å²	60	123.9 Å²	123.9	62%	0.619	71%	0.708	S	S	*	*			trans	-89.8	159.4	147.7	0	0	0	0	0	108.4	K36 E40	K36-G38 PolarHBondContact O-N 3.05Å; K36-G38 VanDerWaalsContact O-N 3.17Å; G38-E40 PolarHBondContact O-N 3.07Å; G38-E40 VanDerWaalsContact O-N 3.08Å
39	E	37.5	Very low	42	Very low	203 Å²	203	115.6 Å²	115.6	95%	0.949	68%	0.679	S	S	*	*			trans	-80.8	88.3	-174.7	-67	158.1	131.1	0	0	110.9	G41	E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 3.08Å; E39-G41 VanDerWaalsContact O-N 3.1Å
40	E	35	Very low	44.8	Very low	195 Å²	195	119.7 Å²	119.7	91%	0.911	68%	0.679	S	S	*	*			trans	-72.2	93.2	157.3	-75.2	-179.2	166.3	0	0	108	G38 D42	G38-E40 PolarHBondContact O-N 3.07Å; G38-E40 VanDerWaalsContact O-N 3.08Å; E40-D42 PolarHBondContact O-N 3.43Å; E40-D42 VanDerWaalsContact O-N 3.16Å
41	G	38.8	Very low	47.8	Very low	70 Å²	70	113.8 Å²	113.8	72%	0.722	65%	0.648	S	S	*	*			trans	-65	109.2	170.5	0	0	0	0	0	109.8	E39 A43	E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 3.08Å; E39-G41 VanDerWaalsContact O-N 3.1Å; G41-A43 PolarHBondContact O-N 3.25Å; G41-A43 VanDerWaalsContact O-N 3.1Å
42	D	45.8	Very low	51.1	Low	111 Å²	111	110.4 Å²	110.4	59%	0.594	62%	0.619	S	S	*	*			trans	-59.9	113.4	-173.6	-175.8	-3	0	0	0	111.5	E40 A44 S45	E40-D42 PolarHBondContact O-N 3.43Å; E40-D42 VanDerWaalsContact O-N 3.16Å; D42-A44 PolarHBondContact O-N 3.11Å; D42-A44 VanDerWaalsContact O-N 3.08Å; D42-A44 WeakPolarHBondContact OD1-CB 3.5Å; D42-A44 PolarHBondContact OD1-N 3.1Å; D42-S45 VanDerWaalsContact O-CB 3.31Å; D42-S45 WeakPolarHBondContact O-CB 3.46Å; D42-S45 PolarHBondContact O-N 3.03Å; D42-S45 PolarHBondContact O-OG 3.4Å
43	A	46.9	Very low	54.4	Low	33 Å²	33	110.5 Å²	110.5	27%	0.273	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	179	0	0	0	0	0	113.1	G41 S45 A46 L47	G41-A43 PolarHBondContact O-N 3.25Å; G41-A43 VanDerWaalsContact O-N 3.1Å; A43-S45 PolarHBondContact O-N 2.92Å; A43-A46 PolarHBondContact O-N 3.5Å; A43-L47 PolarHBondContact O-N 3.32Å
44	A	51.8	Low	57.8	Low	29 Å²	29	108.3 Å²	108.3	24%	0.24	60%	0.599	C	S	.	*	H	α-helix	trans	-62.1	-25.1	172.2	0	0	0	0	0	113	D42 G48 K49	D42-A44 PolarHBondContact O-N 3.11Å; D42-A44 VanDerWaalsContact O-N 3.08Å; D42-A44 WeakPolarHBondContact OD1-CB 3.5Å; D42-A44 PolarHBondContact OD1-N 3.1Å; A44-G48 VanDerWaalsContact O-CA 3.31Å; A44-G48 WeakPolarHBondContact O-CA 3.42Å; A44-G48 PolarHBondContact O-N 3.18Å; A44-K49 WeakPolarHBondContact CA-O 3.33Å
45	S	56.2	Low	60.9	Low	101 Å²	101	103.6 Å²	103.6	71%	0.706	56%	0.56	S	S	*	*	H	α-helix	trans	-70.6	-35.7	180	66.6	0	0	0	0	113.6	D42 A43	D42-S45 VanDerWaalsContact O-CB 3.31Å; D42-S45 WeakPolarHBondContact O-CB 3.46Å; D42-S45 PolarHBondContact O-N 3.03Å; D42-S45 PolarHBondContact O-OG 3.4Å; A43-S45 PolarHBondContact O-N 2.92Å
46	A	62.3	Low	64.3	Low	66 Å²	66	93.5 Å²	93.5	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-83	-30.5	-178.4	0	0	0	0	0	113.3	A43	A43-A46 PolarHBondContact O-N 3.5Å
47	L	75.7	Confident	67.6	Low	19 Å²	19	83.8 Å²	83.8	10%	0.099	48%	0.482	C	S	.	.	H	α-helix	trans	-103	-6.1	-177.4	-69	173.1	0	0	0	114.1	A43 K49 W51 Y219 A222 H241	A43-L47 PolarHBondContact O-N 3.32Å; L47-K49 PolarHBondContact O-N 2.97Å; L47-K49 VanDerWaalsContact O-N 3.09Å; L47-W51 HydrophobicContact CD1-CE3 3.49Å; L47-W51 VanDerWaalsContact CD1-CE3 3.49Å; L47-W51 HydrophobicContact CD1-CZ3 3.63Å; L47-Y219 HydrophobicContact CB-CD1 4.46Å; L47-Y219 HydrophobicContact CD1-CD1 3.94Å; L47-Y219 HydrophobicContact CD1-CG 4.43Å; L47-A222 HydrophobicContact CD2-CB 4.44Å; L47-H241 HydrophobicContact CD1-CB 4.1Å
48	G	71.4	Confident	70.9	Confident	70 Å²	70	74.3 Å²	74.3	72%	0.722	44%	0.438	S	S	*	.	S	Bend	trans	62.1	12.1	-175.4	0	0	0	0	0	114.6	A44	A44-G48 VanDerWaalsContact O-CA 3.31Å; A44-G48 WeakPolarHBondContact O-CA 3.42Å; A44-G48 PolarHBondContact O-N 3.18Å
49	K	80.8	Confident	74.2	Confident	74 Å²	74	71.5 Å²	71.5	32%	0.322	41%	0.409	S	S	.	.	S	Bend	trans	-151.1	148.7	-172.6	-69.2	175.3	-173	150.5	0	110	A44 L47 W51 I218 Y219	A44-K49 WeakPolarHBondContact CA-O 3.33Å; L47-K49 PolarHBondContact O-N 2.97Å; L47-K49 VanDerWaalsContact O-N 3.09Å; K49-W51 PolarHBondContact O-N 2.87Å; K49-I218 PolarHBondContact NZ-O 2.78Å; K49-Y219 HydrophobicContact CB-CE1 4.09Å
50	R	85.8	Confident	77.2	Confident	214 Å²	214	62.2 Å²	62.2	81%	0.808	37%	0.366	S	S	*	.			trans	-63.6	132.3	170.7	-172.9	178.4	173.3	165.6	1.4	110.7	Y219	R50-Y219 WeakPolarHBondContact O-CE1 3.48Å; R50-Y219 PolarHBondContact O-OH 3.42Å
51	W	91.3	Very high	80.2	Confident	23 Å²	23	53.3 Å²	53.3	9%	0.087	33%	0.326	C	S	.	.			trans	-66.2	163.2	172.9	-168.9	-111.7	0	0	0	112.3	L47 K49 L84 Y219 A222 T239 H241 I244	L47-W51 HydrophobicContact CD1-CE3 3.49Å; L47-W51 VanDerWaalsContact CD1-CE3 3.49Å; L47-W51 HydrophobicContact CD1-CZ3 3.63Å; K49-W51 PolarHBondContact O-N 2.87Å; W51-L84 HydrophobicContact CH2-CD2 3.94Å; W51-L84 HydrophobicContact CZ3-CD2 4.29Å; W51-Y219 HydrophobicContact CE3-CD1 4.12Å; W51-Y219 HydrophobicContact CE3-CD2 4.16Å; W51-Y219 HydrophobicContact CE3-CE1 4.18Å; W51-Y219 HydrophobicContact CE3-CE2 4.23Å; W51-Y219 HydrophobicContact CE3-CG 4.11Å; W51-Y219 HydrophobicContact CZ3-CD1 4.28Å; W51-Y219 AromaticContact CZ3-CD2 3.91Å; W51-Y219 HydrophobicContact CZ3-CD2 3.91Å; W51-Y219 HydrophobicContact CZ3-CE2 4.4Å; W51-Y219 AromaticContact CZ3-CG 3.85Å; W51-Y219 HydrophobicContact CZ3-CG 3.85Å; W51-A222 HydrophobicContact CH2-CB 4.5Å; W51-A222 HydrophobicContact CZ3-CB 4.33Å; W51-T239 HydrophobicContact CH2-CG2 4Å; W51-T239 VanDerWaalsContact CH2-OG1 3.29Å; W51-T239 WeakPolarHBondContact CH2-OG1 3.37Å; W51-T239 HydrophobicContact CZ2-CG2 4.29Å; W51-T239 WeakPolarHBondContact CZ2-OG1 3.13Å; W51-H241 HydrophobicContact CD2-CB 4.39Å; W51-H241 HydrophobicContact CE3-CB 4.13Å; W51-H241 HydrophobicContact CH2-CB 4.1Å; W51-H241 HydrophobicContact CZ2-CB 4.35Å; W51-H241 HydrophobicContact CZ3-CB 3.99Å; W51-I244 HydrophobicContact CH2-CD1 3.94Å; W51-I244 HydrophobicContact CH2-CG1 4.27Å; W51-I244 HydrophobicContact CZ2-CD1 3.6Å; W51-I244 HydrophobicContact CZ2-CG1 3.46Å; W51-I244 VanDerWaalsContact CZ2-CG1 3.46Å
52	K	92.6	Very high	83	Confident	53 Å²	53	50 Å²	50	23%	0.23	29%	0.292	C	S	.	.			trans	-126.7	118.6	172.1	-81	-168.2	176.7	-174.9	0	110.2	T54 D80 V82 Q217 Y219 I244	K52-T54 PolarHBondContact O-N 2.91Å; K52-D80 IonicContact NZ-OD1 3.61Å; K52-D80 PolarHBondContact NZ-OD1 2.96Å; K52-V82 HydrophobicContact CD-CG2 4.42Å; K52-Q217 HydrophobicContact CD-CG 4.07Å; K52-Y219 PolarHBondContact N-OH 3.49Å; K52-I244 WeakPolarHBondContact O-CG1 3.27Å
53	D	95.4	Very high	85.6	Confident	110 Å²	110	45.5 Å²	45.5	59%	0.588	27%	0.272	S	S	*	.	S	Bend	trans	-77.7	-11.5	179.4	-35.9	-60.5	0	0	0	112.4	R245	D53-R245 PolarHBondContact O-N 3.49Å
54	T	97.8	Very high	88	Confident	92 Å²	92	44.1 Å²	44.1	56%	0.564	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.7	177.4	56.1	0	0	0	0	111.3	K52 R245	K52-T54 PolarHBondContact O-N 2.91Å; T54-R245 WeakPolarHBondContact CA-O 3.47Å; T54-R245 HydrophobicContact CG2-CB 4.34Å
55	A	98.5	Very high	90.3	Very high	7 Å²	7	43.2 Å²	43.2	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.9	175.3	0	0	0	0	0	110.1	V58 D80 V82 I244 R245 A246 N247	A55-V58 HydrophobicContact CB-CG2 3.71Å; A55-D80 WeakPolarHBondContact CA-O 3.33Å; A55-D80 WeakPolarHBondContact CB-O 3.41Å; A55-V82 HydrophobicContact CB-CB 4.34Å; A55-V82 HydrophobicContact CB-CG2 3.8Å; A55-I244 HydrophobicContact CB-CG2 3.68Å; A55-R245 PolarHBondContact N-O 2.94Å; A55-A246 HydrophobicContact CB-CB 4.43Å; A55-A246 WeakPolarHBondContact O-CA 3.06Å; A55-N247 PolarHBondContact O-N 3.31Å; A55-N247 VanDerWaalsContact O-N 3.15Å
56	D	98.6	Very high	92.3	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-53.5	161.9	171.1	-102.3	0	0	0	109.9	V78 K79 D80 N247 R248	D56-V78 VanDerWaalsContact OD1-CG1 3.23Å; D56-V78 WeakPolarHBondContact OD1-CG1 3.31Å; D56-K79 VanDerWaalsContact CB-O 3.27Å; D56-K79 WeakPolarHBondContact CB-O 3.34Å; D56-D80 PolarHBondContact N-O 3.48Å; D56-N247 WeakPolarHBondContact O-CA 3.45Å; D56-N247 VanDerWaalsContact O-CB 3.26Å; D56-N247 WeakPolarHBondContact O-CB 3.34Å; D56-N247 PolarHBondContact O-N 2.88Å; D56-N247 PolarHBondContact OD2-ND2 3.34Å; D56-R248 PolarHBondContact O-N 2.81Å; D56-R248 IonicContact OD1-CZ 3.4Å; D56-R248 IonicContact OD1-NH1 2.77Å; D56-R248 PolarHBondContact OD1-NH1 3.38Å; D56-R248 IonicContact OD2-CZ 2.72Å; D56-R248 IonicContact OD2-NH1 3.77Å; D56-R248 PolarHBondContact OD2-NH1 2.75Å; D56-R248 IonicContact OD2-NH2 2.7Å
57	T	98.9	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.8	-176	-61.3	0	0	0	0	110.1	I59 L73 V81 V82 R248 V250	T57-I59 HydrophobicContact CG2-CG1 4.25Å; T57-L73 HydrophobicContact CG2-CD1 3.83Å; T57-V81 WeakPolarHBondContact O-CA 3.5Å; T57-V82 PolarHBondContact O-N 3.33Å; T57-R248 WeakPolarHBondContact CA-O 3.5Å; T57-R248 HydrophobicContact CG2-CG 3.89Å; T57-R248 WeakPolarHBondContact OG1-CG 3.15Å; T57-R248 PolarHBondContact OG1-NH1 2.9Å; T57-V250 HydrophobicContact CG2-CG2 3.85Å
58	V	98.9	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.1	169.8	173.5	0	0	0	0	109.9	A55 I60 V82 L84 V237 I244 A246 R248 I249 V250	A55-V58 HydrophobicContact CB-CG2 3.71Å; V58-I60 HydrophobicContact CG1-CG1 4.34Å; V58-V82 CarbonylContact C-O 3.55Å; V58-V82 VanDerWaalsContact CA-O 3.3Å; V58-V82 WeakPolarHBondContact CA-O 3.29Å; V58-V82 HydrophobicContact CG2-CB 4.29Å; V58-L84 HydrophobicContact CG1-CD1 3.64Å; V58-L84 HydrophobicContact CG1-CG 3.99Å; V58-V237 HydrophobicContact CB-CG2 4.38Å; V58-V237 HydrophobicContact CG1-CG1 4.29Å; V58-V237 HydrophobicContact CG1-CG2 4.34Å; V58-V237 HydrophobicContact CG2-CG2 4.41Å; V58-I244 HydrophobicContact CG2-CB 4.45Å; V58-I244 HydrophobicContact CG2-CG2 4.02Å; V58-A246 HydrophobicContact CB-CB 4.14Å; V58-A246 HydrophobicContact CG2-CB 3.62Å; V58-R248 PolarHBondContact N-O 3.2Å; V58-I249 HydrophobicContact CB-CG2 4.22Å; V58-I249 CarbonylContact O-C 3.54Å; V58-I249 WeakPolarHBondContact O-CA 3.39Å; V58-V250 PolarHBondContact O-N 3.46Å
59	I	98.9	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	177.6	-58.8	166.9	0	0	0	107.9	T57 L69 A70 L73 V81 V82 L83 L84 V250 T252	T57-I59 HydrophobicContact CG2-CG1 4.25Å; I59-L69 HydrophobicContact CD1-CB 4.22Å; I59-L69 HydrophobicContact CD1-CD2 4.31Å; I59-L69 HydrophobicContact CD1-CG 3.99Å; I59-L69 HydrophobicContact CG1-CD2 4.37Å; I59-A70 HydrophobicContact CD1-CB 3.73Å; I59-L73 HydrophobicContact CD1-CD1 4.2Å; I59-V81 HydrophobicContact CD1-CG1 3.95Å; I59-V82 PolarHBondContact N-O 2.96Å; I59-L83 HydrophobicContact CB-CB 4.44Å; I59-L83 HydrophobicContact CB-CG 4.31Å; I59-L83 HydrophobicContact CG2-CD1 4.16Å; I59-L83 HydrophobicContact CG2-CG 4.29Å; I59-L83 WeakPolarHBondContact O-CA 3.46Å; I59-L84 PolarHBondContact O-N 2.79Å; I59-V250 HydrophobicContact CG1-CB 4.47Å; I59-V250 HydrophobicContact CG1-CG2 4.4Å; I59-T252 HydrophobicContact CG2-CG2 3.9Å
60	I	98.9	Very high	97.3	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.046	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.7	-175	-49.5	177	0	0	0	108.4	V58 V224 L227 V250 T252 A253 V260	V58-I60 HydrophobicContact CG1-CG1 4.34Å; I60-V224 HydrophobicContact CD1-CG2 4.23Å; I60-V224 HydrophobicContact CG1-CG2 4.12Å; I60-V224 HydrophobicContact CG2-CB 4.28Å; I60-V224 HydrophobicContact CG2-CG2 3.9Å; I60-L227 HydrophobicContact CD1-CD1 4Å; I60-L227 HydrophobicContact CD1-CD2 4.02Å; I60-V250 PolarHBondContact N-O 2.89Å; I60-T252 CarbonylContact O-C 3.45Å; I60-T252 VanDerWaalsContact O-CA 3.27Å; I60-T252 WeakPolarHBondContact O-CA 3.44Å; I60-T252 PolarHBondContact O-N 3.43Å; I60-T252 PolarHBondContact O-OG1 2.66Å; I60-A253 HydrophobicContact CG2-CB 4.45Å; I60-A253 PolarHBondContact O-N 2.85Å; I60-V260 HydrophobicContact CD1-CG1 3.9Å; I60-V260 HydrophobicContact CG2-CG1 4.25Å; I60-V260 HydrophobicContact CG2-CG2 4.23Å
61	G	98.8	Very high	98	Very high	7 Å²	7	17.5 Å²	17.5	7%	0.072	10%	0.1	C	C	.	.			trans	116.8	127.8	179.6	0	0	0	0	0	114.2	L84 T252	G61-L84 PolarHBondContact N-O 3.33Å; G61-T252 PolarHBondContact O-OG1 2.71Å
62	G	98.6	Very high	98.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	10%	0.102	C	C	.	.			trans	-93.2	20.6	-179	0	0	0	0	0	115.6	E85 L89 T90	G62-E85 WeakPolarHBondContact CA-OE2 3.49Å; G62-E85 PolarHBondContact N-OE2 3.01Å; G62-L89 WeakPolarHBondContact O-CA 3.31Å; G62-T90 PolarHBondContact O-N 3.43Å
63	G	98.8	Very high	98.6	Very high	16 Å²	16	15.2 Å²	15.2	17%	0.165	9%	0.091	C	C	.	.	S	Bend	trans	-72.7	172.5	172.5	0	0	0	0	0	112.8	V65 G66 A67	G63-V65 PolarHBondContact O-N 2.87Å; G63-V65 VanDerWaalsContact O-N 3.16Å; G63-G66 PolarHBondContact O-N 3.41Å; G63-G66 VanDerWaalsContact O-N 3.12Å; G63-A67 PolarHBondContact O-N 3.49Å
64	C	98.9	Very high	98.8	Very high	5 Å²	5	10.1 Å²	10.1	3%	0.034	6%	0.064	C	C	.	.	H	α-helix	trans	-50.6	-40.1	179.3	50	0	0	0	0	113.7	S68 T94 T204 A409	C64-S68 VanDerWaalsContact O-CB 3.23Å; C64-S68 WeakPolarHBondContact O-CB 3.36Å; C64-S68 PolarHBondContact O-N 3.06Å; C64-T94 HydrophobicContact CB-CG2 3.76Å; C64-T94 PolarHBondContact N-OG1 3.49Å; C64-T94 PolarHBondContact SG-OG1 3.47Å; C64-T204 WeakPolarHBondContact CB-OG1 3.44Å; C64-A409 HydrophobicContact CB-CB 4.09Å
65	V	98.9	Very high	98.8	Very high	10 Å²	10	9.9 Å²	9.9	6%	0.061	6%	0.056	C	C	.	.	H	α-helix	trans	-67.2	-46.1	178.9	-179.1	0	0	0	0	112.2	G63 S68 L69 A399 F402 A409	G63-V65 PolarHBondContact O-N 2.87Å; G63-V65 VanDerWaalsContact O-N 3.16Å; V65-S68 WeakPolarHBondContact O-CB 3.33Å; V65-S68 PolarHBondContact O-N 3.46Å; V65-L69 PolarHBondContact O-N 3.27Å; V65-A399 HydrophobicContact CG1-CB 3.74Å; V65-F402 HydrophobicContact CB-CE2 4.21Å; V65-F402 HydrophobicContact CG1-CE2 3.73Å; V65-F402 HydrophobicContact CG1-CZ 3.87Å; V65-F402 HydrophobicContact CG2-CD2 3.94Å; V65-F402 HydrophobicContact CG2-CE1 4.41Å; V65-F402 HydrophobicContact CG2-CE2 3.72Å; V65-F402 HydrophobicContact CG2-CG 4.36Å; V65-F402 HydrophobicContact CG2-CZ 3.99Å; V65-A409 HydrophobicContact CG2-CB 4.1Å
66	G	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-43.4	178	0	0	0	0	0	111.9	G63 S68 L69 A70 L83 T252	G63-G66 PolarHBondContact O-N 3.41Å; G63-G66 VanDerWaalsContact O-N 3.12Å; G66-S68 PolarHBondContact O-N 3.24Å; G66-L69 PolarHBondContact O-N 2.97Å; G66-A70 WeakPolarHBondContact O-CB 3.45Å; G66-A70 PolarHBondContact O-N 2.95Å; G66-L83 VanDerWaalsContact C-CD1 3.45Å; G66-L83 WeakPolarHBondContact O-CD1 3.41Å; G66-T252 WeakPolarHBondContact CA-OG1 3.43Å
67	A	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-41.5	173.9	0	0	0	0	0	112.3	G63 A70 Y71 T204 L207	G63-A67 PolarHBondContact O-N 3.49Å; A67-A70 PolarHBondContact O-N 3.44Å; A67-Y71 WeakPolarHBondContact O-CB 3.14Å; A67-Y71 PolarHBondContact O-N 2.88Å; A67-T204 HydrophobicContact CB-CG2 3.91Å; A67-L207 HydrophobicContact CB-CB 4.11Å
68	S	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-45.7	175.6	-178.2	0	0	0	0	112.6	C64 V65 G66 Y71 H72 A409	C64-S68 VanDerWaalsContact O-CB 3.23Å; C64-S68 WeakPolarHBondContact O-CB 3.36Å; C64-S68 PolarHBondContact O-N 3.06Å; V65-S68 WeakPolarHBondContact O-CB 3.33Å; V65-S68 PolarHBondContact O-N 3.46Å; G66-S68 PolarHBondContact O-N 3.24Å; S68-Y71 WeakPolarHBondContact O-CB 3.12Å; S68-Y71 PolarHBondContact O-N 3.37Å; S68-H72 WeakPolarHBondContact O-CB 3.35Å; S68-H72 PolarHBondContact O-CD2 2.97Å; S68-H72 VanDerWaalsContact O-CD2 3.3Å; S68-H72 PolarHBondContact O-N 3.43Å; S68-A409 VanDerWaalsContact CB-O 3.22Å; S68-A409 WeakPolarHBondContact CB-O 3.39Å; S68-A409 PolarHBondContact OG-O 3.49Å
69	L	98.9	Very high	98.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-39.9	177.1	-177.4	58.3	0	0	0	111.9	I59 V65 G66 Y71 H72 L73 V250 L416	I59-L69 HydrophobicContact CD1-CB 4.22Å; I59-L69 HydrophobicContact CD1-CD2 4.31Å; I59-L69 HydrophobicContact CD1-CG 3.99Å; I59-L69 HydrophobicContact CG1-CD2 4.37Å; V65-L69 PolarHBondContact O-N 3.27Å; G66-L69 PolarHBondContact O-N 2.97Å; L69-Y71 VanDerWaalsContact C-N 3.34Å; L69-Y71 PolarHBondContact O-N 2.88Å; L69-H72 PolarHBondContact O-N 2.88Å; L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CG 3.93Å; L69-L73 HydrophobicContact CG-CD1 3.83Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 2.98Å; L69-V250 HydrophobicContact CD2-CB 4.1Å; L69-V250 HydrophobicContact CD2-CG1 3.68Å; L69-V250 HydrophobicContact CD2-CG2 4.02Å; L69-L416 HydrophobicContact CD1-CB 3.72Å; L69-L416 HydrophobicContact CD2-CD1 4.34Å
70	A	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-43.9	174.9	0	0	0	0	0	111.7	I59 G66 A67 A74 V81 L83 A211	I59-A70 HydrophobicContact CD1-CB 3.73Å; G66-A70 WeakPolarHBondContact O-CB 3.45Å; G66-A70 PolarHBondContact O-N 2.95Å; A67-A70 PolarHBondContact O-N 3.44Å; A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 3.18Å; A70-V81 HydrophobicContact CB-CG1 4.41Å; A70-L83 HydrophobicContact CB-CD1 4.17Å; A70-A211 HydrophobicContact CB-CB 4.08Å
71	Y	98.9	Very high	98.6	Very high	2 Å²	2	22 Å²	22	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-53	173.2	163.6	-93.8	0	0	0	111.5	A67 S68 L69 L73 A74 K75 L120 L124 E127 L207 Y214	A67-Y71 WeakPolarHBondContact O-CB 3.14Å; A67-Y71 PolarHBondContact O-N 2.88Å; S68-Y71 WeakPolarHBondContact O-CB 3.12Å; S68-Y71 PolarHBondContact O-N 3.37Å; L69-Y71 VanDerWaalsContact C-N 3.34Å; L69-Y71 PolarHBondContact O-N 2.88Å; Y71-L73 PolarHBondContact O-N 2.86Å; Y71-A74 PolarHBondContact O-N 2.94Å; Y71-K75 HydrophobicContact CE1-CD 4.13Å; Y71-K75 HydrophobicContact CE2-CD 3.99Å; Y71-K75 WeakPolarHBondContact O-CB 3.44Å; Y71-K75 PolarHBondContact O-N 2.84Å; Y71-K75 WeakPolarHBondContact OH-CD 3.42Å; Y71-K75 PolarHBondContact OH-NZ 2.7Å; Y71-L120 HydrophobicContact CE1-CD1 3.61Å; Y71-L120 HydrophobicContact CE1-CD2 4.15Å; Y71-L120 VanDerWaalsContact OH-CD1 3.25Å; Y71-L120 WeakPolarHBondContact OH-CD1 3.34Å; Y71-L124 HydrophobicContact CE2-CD2 4.16Å; Y71-E127 WeakPolarHBondContact CE2-OE1 3.39Å; Y71-E127 PolarHBondContact OH-OE1 3.47Å; Y71-E127 PolarHBondContact OH-OE2 3.11Å; Y71-L207 HydrophobicContact CD1-CD2 3.96Å; Y71-L207 HydrophobicContact CE1-CD2 4.43Å; Y71-L207 HydrophobicContact CG-CD2 4.04Å; Y71-Y214 HydrophobicContact CE2-CE2 4.3Å
72	H	98.9	Very high	98.6	Very high	28 Å²	28	21.7 Å²	21.7	13%	0.13	13%	0.126	C	C	.	.	H	α-helix	trans	-69.7	-32.7	-175.6	-82.8	-67.7	0	0	0	114.1	S68 L69 G76 L120 G410 G413 K414 S417	S68-H72 WeakPolarHBondContact O-CB 3.35Å; S68-H72 PolarHBondContact O-CD2 2.97Å; S68-H72 VanDerWaalsContact O-CD2 3.3Å; S68-H72 PolarHBondContact O-N 3.43Å; L69-H72 PolarHBondContact O-N 2.88Å; H72-G76 PolarHBondContact O-N 2.89Å; H72-L120 WeakPolarHBondContact NE2-CD2 3.12Å; H72-G410 PolarHBondContact NE2-O 2.63Å; H72-G413 WeakPolarHBondContact CB-O 3.27Å; H72-G413 VanDerWaalsContact CD2-C 3.43Å; H72-K414 PolarHBondContact CD2-N 3.45Å; H72-S417 PolarHBondContact O-OG 3.48Å
73	L	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69	-49.2	174.3	-75.5	167.9	0	0	0	110.9	T57 I59 L69 Y71 G76 G77 V78 V81 S417 I420	T57-L73 HydrophobicContact CG2-CD1 3.83Å; I59-L73 HydrophobicContact CD1-CD1 4.2Å; L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CG 3.93Å; L69-L73 HydrophobicContact CG-CD1 3.83Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 2.98Å; Y71-L73 PolarHBondContact O-N 2.86Å; L73-G76 CarbonylContact O-C 3.59Å; L73-G76 WeakPolarHBondContact O-CA 3.44Å; L73-G76 PolarHBondContact O-N 2.58Å; L73-G76 VanDerWaalsContact O-N 3.16Å; L73-G77 PolarHBondContact O-N 3.31Å; L73-V78 HydrophobicContact CB-CB 4.2Å; L73-V78 HydrophobicContact CB-CG2 4.32Å; L73-V78 HydrophobicContact CD2-CG2 3.97Å; L73-V78 VanDerWaalsContact O-CB 3.3Å; L73-V78 WeakPolarHBondContact O-CB 3.39Å; L73-V78 WeakPolarHBondContact O-CG2 3.15Å; L73-V78 PolarHBondContact O-N 2.89Å; L73-V81 HydrophobicContact CB-CG1 4.5Å; L73-V81 HydrophobicContact CB-CG2 3.86Å; L73-S417 WeakPolarHBondContact CA-OG 3.41Å; L73-S417 PolarHBondContact N-OG 3.2Å; L73-I420 HydrophobicContact CD1-CD1 4.48Å; L73-I420 HydrophobicContact CD2-CB 4.08Å; L73-I420 HydrophobicContact CD2-CD1 4.35Å; L73-I420 HydrophobicContact CD2-CG2 3.78Å
74	A	98.8	Very high	98.6	Very high	4 Å²	4	21 Å²	21	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-44.3	-179.3	0	0	0	0	0	112.1	A70 Y71 G76 G77 A216	A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 3.18Å; Y71-A74 PolarHBondContact O-N 2.94Å; A74-G76 PolarHBondContact O-N 3.31Å; A74-G77 WeakPolarHBondContact O-CA 3.44Å; A74-G77 PolarHBondContact O-N 2.62Å; A74-A216 HydrophobicContact CB-CB 4.03Å
75	K	98.7	Very high	98.6	Very high	87 Å²	87	21.3 Å²	21.3	38%	0.378	12%	0.119	S	C	.	.	H	α-helix	trans	-61.7	-33.1	171.8	-171.4	168.4	-175.2	167	0	112.1	Y71 G77 E127 Y214	Y71-K75 HydrophobicContact CE1-CD 4.13Å; Y71-K75 HydrophobicContact CE2-CD 3.99Å; Y71-K75 WeakPolarHBondContact O-CB 3.44Å; Y71-K75 PolarHBondContact O-N 2.84Å; Y71-K75 WeakPolarHBondContact OH-CD 3.42Å; Y71-K75 PolarHBondContact OH-NZ 2.7Å; K75-G77 PolarHBondContact O-N 2.8Å; K75-E127 WeakPolarHBondContact CE-OE1 3.16Å; K75-E127 IonicContact NZ-OE1 2.68Å; K75-E127 PolarHBondContact NZ-OE1 3.18Å; K75-E127 IonicContact NZ-OE2 3.25Å; K75-E127 PolarHBondContact NZ-OE2 2.87Å; K75-Y214 HydrophobicContact CB-CD2 3.58Å; K75-Y214 HydrophobicContact CB-CE2 3.7Å; K75-Y214 HydrophobicContact CB-CG 4.1Å; K75-Y214 HydrophobicContact CD-CD2 4.36Å; K75-Y214 HydrophobicContact CD-CE2 3.61Å; K75-Y214 HydrophobicContact CG-CD2 4Å; K75-Y214 HydrophobicContact CG-CE1 4.37Å; K75-Y214 HydrophobicContact CG-CE2 3.57Å
76	G	98.2	Very high	98.6	Very high	23 Å²	23	24 Å²	24	24%	0.237	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.5	170.8	0	0	0	0	0	115	H72 L73 A74 R421	H72-G76 PolarHBondContact O-N 2.89Å; L73-G76 CarbonylContact O-C 3.59Å; L73-G76 WeakPolarHBondContact O-CA 3.44Å; L73-G76 PolarHBondContact O-N 2.58Å; L73-G76 VanDerWaalsContact O-N 3.16Å; A74-G76 PolarHBondContact O-N 3.31Å; G76-R421 VanDerWaalsContact O-CZ 3.3Å; G76-R421 PolarHBondContact O-NE 2.8Å; G76-R421 PolarHBondContact O-NH2 2.68Å
77	G	98.1	Very high	98.5	Very high	41 Å²	41	25.9 Å²	25.9	42%	0.423	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-4.1	176.5	0	0	0	0	0	115.3	L73 A74 K75 K79	L73-G77 PolarHBondContact O-N 3.31Å; A74-G77 WeakPolarHBondContact O-CA 3.44Å; A74-G77 PolarHBondContact O-N 2.62Å; K75-G77 PolarHBondContact O-N 2.8Å; G77-K79 WeakPolarHBondContact O-CE 3.49Å; G77-K79 PolarHBondContact O-N 3.13Å
78	V	98.3	Very high	98.5	Very high	26 Å²	26	29.4 Å²	29.4	16%	0.158	16%	0.159	C	C	.	.			trans	-63	128.2	-179.8	-176.2	0	0	0	0	109.5	D56 L73 V81 R421	D56-V78 VanDerWaalsContact OD1-CG1 3.23Å; D56-V78 WeakPolarHBondContact OD1-CG1 3.31Å; L73-V78 HydrophobicContact CB-CB 4.2Å; L73-V78 HydrophobicContact CB-CG2 4.32Å; L73-V78 HydrophobicContact CD2-CG2 3.97Å; L73-V78 VanDerWaalsContact O-CB 3.3Å; L73-V78 WeakPolarHBondContact O-CB 3.39Å; L73-V78 WeakPolarHBondContact O-CG2 3.15Å; L73-V78 PolarHBondContact O-N 2.89Å; V78-V81 HydrophobicContact CB-CG2 3.99Å; V78-V81 HydrophobicContact CG1-CG2 3.74Å; V78-R421 HydrophobicContact CG2-CG 3.61Å
79	K	96.8	Very high	98.5	Very high	137 Å²	137	29.9 Å²	29.9	60%	0.596	16%	0.162	S	C	*	.	S	Bend	trans	-91.6	159	178.9	-56.9	-51.4	177.3	-168.1	0	110.4	D56 G77 V81	D56-K79 VanDerWaalsContact CB-O 3.27Å; D56-K79 WeakPolarHBondContact CB-O 3.34Å; G77-K79 WeakPolarHBondContact O-CE 3.49Å; G77-K79 PolarHBondContact O-N 3.13Å; K79-V81 PolarHBondContact O-N 2.7Å; K79-V81 VanDerWaalsContact O-N 3.13Å
80	D	97.6	Very high	98.5	Very high	74 Å²	74	29.9 Å²	29.9	40%	0.396	16%	0.161	S	C	.	.	S	Bend	trans	54.1	37	174.1	-53.9	-60.2	0	0	0	114.4	K52 A55 D56	K52-D80 IonicContact NZ-OD1 3.61Å; K52-D80 PolarHBondContact NZ-OD1 2.96Å; A55-D80 WeakPolarHBondContact CA-O 3.33Å; A55-D80 WeakPolarHBondContact CB-O 3.41Å; D56-D80 PolarHBondContact N-O 3.48Å
81	V	98.8	Very high	98.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.7	164	-177.6	0	0	0	0	108.8	T57 I59 A70 L73 V78 K79 A216 Q217	T57-V81 WeakPolarHBondContact O-CA 3.5Å; I59-V81 HydrophobicContact CD1-CG1 3.95Å; A70-V81 HydrophobicContact CB-CG1 4.41Å; L73-V81 HydrophobicContact CB-CG1 4.5Å; L73-V81 HydrophobicContact CB-CG2 3.86Å; V78-V81 HydrophobicContact CB-CG2 3.99Å; V78-V81 HydrophobicContact CG1-CG2 3.74Å; K79-V81 PolarHBondContact O-N 2.7Å; K79-V81 VanDerWaalsContact O-N 3.13Å; V81-A216 HydrophobicContact CB-CB 4.15Å; V81-A216 HydrophobicContact CG1-CB 4.19Å; V81-A216 WeakPolarHBondContact O-CA 3.26Å; V81-Q217 PolarHBondContact O-N 2.88Å
82	V	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129	178.5	179.6	0	0	0	0	109.4	K52 A55 T57 V58 I59 L84 Q217 Y219 I244	K52-V82 HydrophobicContact CD-CG2 4.42Å; A55-V82 HydrophobicContact CB-CB 4.34Å; A55-V82 HydrophobicContact CB-CG2 3.8Å; T57-V82 PolarHBondContact O-N 3.33Å; V58-V82 CarbonylContact C-O 3.55Å; V58-V82 VanDerWaalsContact CA-O 3.3Å; V58-V82 WeakPolarHBondContact CA-O 3.29Å; V58-V82 HydrophobicContact CG2-CB 4.29Å; I59-V82 PolarHBondContact N-O 2.96Å; V82-L84 HydrophobicContact CG1-CD2 3.94Å; V82-L84 HydrophobicContact CG1-CG 4.26Å; V82-Q217 CarbonylContact C-O 3.15Å; V82-Q217 WeakPolarHBondContact CA-O 3.49Å; V82-Q217 HydrophobicContact CG2-CB 4.36Å; V82-Y219 HydrophobicContact CG1-CD2 3.63Å; V82-Y219 HydrophobicContact CG1-CE2 3.7Å; V82-I244 HydrophobicContact CG1-CD1 3.94Å
83	L	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	167.7	-169.4	152.5	0	0	0	109.8	I59 G66 A70 E85 L89 Q217 I218 Y219	I59-L83 HydrophobicContact CB-CB 4.44Å; I59-L83 HydrophobicContact CB-CG 4.31Å; I59-L83 HydrophobicContact CG2-CD1 4.16Å; I59-L83 HydrophobicContact CG2-CG 4.29Å; I59-L83 WeakPolarHBondContact O-CA 3.46Å; G66-L83 VanDerWaalsContact C-CD1 3.45Å; G66-L83 WeakPolarHBondContact O-CD1 3.41Å; A70-L83 HydrophobicContact CB-CD1 4.17Å; L83-E85 HydrophobicContact CD2-CB 4Å; L83-L89 HydrophobicContact CD2-CD2 4.23Å; L83-Q217 PolarHBondContact N-O 2.86Å; L83-I218 HydrophobicContact CB-CG1 4.19Å; L83-I218 HydrophobicContact CD2-CG2 4.12Å; L83-Y219 PolarHBondContact O-N 3.24Å
84	L	98.9	Very high	98.4	Very high	3 Å²	3	31 Å²	31	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	175.5	-61	-179.9	0	0	0	109.3	W51 V58 I59 G61 V82 Y219 A222 V224 V237 T239 I244	W51-L84 HydrophobicContact CH2-CD2 3.94Å; W51-L84 HydrophobicContact CZ3-CD2 4.29Å; V58-L84 HydrophobicContact CG1-CD1 3.64Å; V58-L84 HydrophobicContact CG1-CG 3.99Å; I59-L84 PolarHBondContact O-N 2.79Å; G61-L84 PolarHBondContact N-O 3.33Å; V82-L84 HydrophobicContact CG1-CD2 3.94Å; V82-L84 HydrophobicContact CG1-CG 4.26Å; L84-Y219 HydrophobicContact CD2-CD2 4Å; L84-A222 HydrophobicContact CD2-CB 4.1Å; L84-V224 HydrophobicContact CB-CG2 4.21Å; L84-V224 HydrophobicContact CD1-CG2 3.69Å; L84-V237 HydrophobicContact CD1-CG1 3.76Å; L84-T239 HydrophobicContact CD1-CG2 3.86Å; L84-I244 HydrophobicContact CD1-CD1 4.32Å; L84-I244 HydrophobicContact CD2-CD1 4.12Å
85	E	98.8	Very high	98.3	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	19%	0.188	C	C	.	.			trans	-126.5	132.1	179.6	163.5	44.8	-131	0	0	110.4	G62 L83 S87 E88 Y219 N220 A222	G62-E85 WeakPolarHBondContact CA-OE2 3.49Å; G62-E85 PolarHBondContact N-OE2 3.01Å; L83-E85 HydrophobicContact CD2-CB 4Å; E85-S87 PolarHBondContact O-N 2.78Å; E85-S87 VanDerWaalsContact O-N 3.13Å; E85-S87 PolarHBondContact OE1-N 2.87Å; E85-S87 PolarHBondContact OE1-OG 3.13Å; E85-E88 VanDerWaalsContact CG-C 3.42Å; E85-E88 VanDerWaalsContact CG-O 3.29Å; E85-E88 WeakPolarHBondContact CG-O 3.34Å; E85-E88 PolarHBondContact OE1-N 3.23Å; E85-Y219 PolarHBondContact N-O 2.61Å; E85-Y219 VanDerWaalsContact N-O 3.16Å; E85-N220 HydrophobicContact CB-CB 3.95Å; E85-N220 HydrophobicContact CG-CB 4.08Å; E85-A222 CarbonylContact O-C 3.58Å; E85-A222 PolarHBondContact O-N 2.66Å
86	K	98.4	Very high	98.3	Very high	67 Å²	67	31.1 Å²	31.1	29%	0.291	17%	0.172	S	C	.	.	S	Bend	trans	-50.6	-36.3	-178.3	171.7	175.3	-179.3	-85.6	0	113.7	P223 W256 P336 F338	K86-P223 HydrophobicContact CB-CB 4.3Å; K86-P223 HydrophobicContact CG-CB 4.35Å; K86-W256 HydrophobicContact CD-CZ2 4.32Å; K86-P336 WeakPolarHBondContact CE-O 3.3Å; K86-P336 PolarHBondContact NZ-O 3.24Å; K86-F338 PolarHBondContact NZ-O 3.24Å
87	S	97.8	Very high	98.2	Very high	38 Å²	38	31.3 Å²	31.3	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	-141.6	-86.5	-165.6	52.7	0	0	0	0	111.3	E85 A91 N220 P221	E85-S87 PolarHBondContact O-N 2.78Å; E85-S87 VanDerWaalsContact O-N 3.13Å; E85-S87 PolarHBondContact OE1-N 2.87Å; E85-S87 PolarHBondContact OE1-OG 3.13Å; S87-A91 WeakPolarHBondContact OG-CB 3.38Å; S87-N220 WeakPolarHBondContact O-CB 3.4Å; S87-N220 PolarHBondContact O-ND2 2.87Å; S87-P221 WeakPolarHBondContact O-CA 3.29Å
88	E	98	Very high	98.2	Very high	75 Å²	75	29.9 Å²	29.9	35%	0.35	16%	0.156	S	C	.	.	S	Bend	trans	-144.9	162	174.5	60.6	169.3	136.6	0	0	110.6	E85 A91 K340	E85-E88 VanDerWaalsContact CG-C 3.42Å; E85-E88 VanDerWaalsContact CG-O 3.29Å; E85-E88 WeakPolarHBondContact CG-O 3.34Å; E85-E88 PolarHBondContact OE1-N 3.23Å; E88-A91 HydrophobicContact CG-CB 4.16Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.16Å; E88-K340 WeakPolarHBondContact OE1-CD 3.27Å; E88-K340 WeakPolarHBondContact OE1-CE 3.22Å; E88-K340 IonicContact OE1-NZ 2.75Å; E88-K340 PolarHBondContact OE1-NZ 2.89Å; E88-K340 WeakPolarHBondContact OE2-CE 3.49Å; E88-K340 IonicContact OE2-NZ 3.56Å; E88-K340 PolarHBondContact OE2-NZ 3.31Å
89	L	98.7	Very high	98.2	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.052	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	148.5	178.8	-60.5	-179.7	0	0	0	110.9	G62 L83 A91 M205 A208 I218	G62-L89 WeakPolarHBondContact O-CA 3.31Å; L83-L89 HydrophobicContact CD2-CD2 4.23Å; L89-A91 VanDerWaalsContact C-N 3.26Å; L89-A91 PolarHBondContact O-N 3.4Å; L89-M205 HydrophobicContact CB-CE 3.58Å; L89-M205 HydrophobicContact CD1-CE 4.02Å; L89-M205 HydrophobicContact CD1-SD 4.35Å; L89-M205 HydrophobicContact CG-CE 4.47Å; L89-A208 HydrophobicContact CD1-CB 3.5Å; L89-I218 HydrophobicContact CD2-CG2 4.1Å
90	T	98.6	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-10.9	-176.9	74	0	0	0	0	117.9	G62 G92 T94 W95 Y201 T204 M205	G62-T90 PolarHBondContact O-N 3.43Å; T90-G92 PolarHBondContact O-N 3.35Å; T90-T94 HydrophobicContact CG2-CG2 3.98Å; T90-W95 PolarHBondContact O-N 2.93Å; T90-Y201 HydrophobicContact CG2-CD2 3.91Å; T90-Y201 HydrophobicContact CG2-CE2 4.5Å; T90-T204 VanDerWaalsContact CG2-CB 3.5Å; T90-T204 HydrophobicContact CG2-CG2 3.61Å; T90-M205 HydrophobicContact CG2-CE 3.7Å
91	A	98.3	Very high	98.3	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.025	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.5	-165.7	0	0	0	0	0	117.5	S87 E88 L89 K340	S87-A91 WeakPolarHBondContact OG-CB 3.38Å; E88-A91 HydrophobicContact CG-CB 4.16Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.16Å; L89-A91 VanDerWaalsContact C-N 3.26Å; L89-A91 PolarHBondContact O-N 3.4Å; A91-K340 HydrophobicContact CB-CG 4.27Å; A91-K340 PolarHBondContact O-N 3.39Å
92	G	98.1	Very high	98.3	Very high	12 Å²	12	22 Å²	22	12%	0.124	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-142.1	167.1	0	0	0	0	0	112.8	T90 T94 W95	T90-G92 PolarHBondContact O-N 3.35Å; G92-T94 PolarHBondContact O-N 3.11Å; G92-W95 PolarHBondContact O-NE1 2.95Å
93	S	98.4	Very high	98.3	Very high	28 Å²	28	22.2 Å²	22.2	20%	0.196	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	1.8	-177.7	-44.1	0	0	0	0	116	F255 P376	S93-F255 WeakPolarHBondContact OG-CD1 3.43Å; S93-F255 WeakPolarHBondContact OG-CE1 3.2Å; S93-P376 VanDerWaalsContact CB-O 3.28Å; S93-P376 WeakPolarHBondContact CB-O 3.43Å; S93-P376 PolarHBondContact OG-O 2.85Å
94	T	98.7	Very high	98.3	Very high	12 Å²	12	23 Å²	23	7%	0.074	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-50.3	-172.5	-60	0	0	0	0	111.6	C64 T90 G92 H96 A97 P200 T204	C64-T94 HydrophobicContact CB-CG2 3.76Å; C64-T94 PolarHBondContact N-OG1 3.49Å; C64-T94 PolarHBondContact SG-OG1 3.47Å; T90-T94 HydrophobicContact CG2-CG2 3.98Å; G92-T94 PolarHBondContact O-N 3.11Å; T94-H96 PolarHBondContact O-N 2.61Å; T94-H96 VanDerWaalsContact O-N 3.16Å; T94-A97 PolarHBondContact O-N 3.33Å; T94-P200 HydrophobicContact CG2-CB 3.95Å; T94-P200 WeakPolarHBondContact O-CB 3.32Å; T94-T204 WeakPolarHBondContact CG2-OG1 3.08Å
95	W	98.1	Very high	98.3	Very high	80 Å²	80	23.5 Å²	23.5	30%	0.303	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	-170.7	75.1	-87.1	0	0	0	114.4	T90 G92 K340 L342	T90-W95 PolarHBondContact O-N 2.93Å; G92-W95 PolarHBondContact O-NE1 2.95Å; W95-K340 HydrophobicContact CG-CG 4.31Å; W95-L342 HydrophobicContact CH2-CD1 3.86Å; W95-L342 HydrophobicContact CH2-CD2 3.92Å; W95-L342 HydrophobicContact CH2-CG 3.66Å; W95-L342 HydrophobicContact CZ2-CD1 4.43Å; W95-L342 HydrophobicContact CZ2-CD2 3.7Å; W95-L342 HydrophobicContact CZ2-CG 3.74Å
96	H	97.4	Very high	98.3	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.056	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.4	-177.9	67.2	-118.5	0	0	0	114.1	T94 Y277 L342 V373	T94-H96 PolarHBondContact O-N 2.61Å; T94-H96 VanDerWaalsContact O-N 3.16Å; H96-Y277 VanDerWaalsContact O-CE1 3.25Å; H96-Y277 WeakPolarHBondContact O-CE1 3.3Å; H96-Y277 PolarHBondContact O-OH 2.9Å; H96-Y277 VanDerWaalsContact O-OH 3.12Å; H96-L342 HydrophobicContact CB-CD2 3.81Å; H96-V373 HydrophobicContact CB-CG1 3.97Å
97	A	97.3	Very high	98.3	Very high	28 Å²	28	23.6 Å²	23.6	23%	0.231	14%	0.14	C	C	.	.			trans	-71.9	141.5	-177.4	0	0	0	0	0	111.3	T94 G99 P200 V406	T94-A97 PolarHBondContact O-N 3.33Å; A97-G99 PolarHBondContact O-N 2.83Å; A97-P200 HydrophobicContact CB-CB 4.5Å; A97-P200 HydrophobicContact CB-CG 3.92Å; A97-P200 WeakPolarHBondContact O-CG 3.44Å; A97-V406 HydrophobicContact CB-CG2 3.66Å
98	A	97.3	Very high	98.3	Very high	10 Å²	10	22.9 Å²	22.9	8%	0.083	13%	0.132	C	C	.	.			trans	-62.6	-6.2	-179.3	0	0	0	0	0	115.4	L100 Y277 Y304 R306 L313	A98-L100 HydrophobicContact CB-CD1 3.92Å; A98-L100 PolarHBondContact O-N 3.36Å; A98-Y277 HydrophobicContact CB-CD1 3.87Å; A98-Y277 HydrophobicContact CB-CE1 3.85Å; A98-Y277 HydrophobicContact CB-CG 4.35Å; A98-Y304 HydrophobicContact CB-CE2 3.77Å; A98-Y304 WeakPolarHBondContact CB-OH 3.42Å; A98-R306 PolarHBondContact O-NE 3.49Å; A98-R306 PolarHBondContact O-NH2 3.36Å; A98-R306 VanDerWaalsContact O-NH2 3.16Å; A98-L313 HydrophobicContact CB-CD2 3.92Å
99	G	98	Very high	98.4	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	12%	0.122	C	C	.	.			trans	86.3	-7	171.1	0	0	0	0	0	116.4	A97 T101 H197 I198	A97-G99 PolarHBondContact O-N 2.83Å; G99-T101 PolarHBondContact O-N 3.16Å; G99-H197 CarbonylContact O-C 3.57Å; G99-H197 VanDerWaalsContact O-CA 3.25Å; G99-H197 WeakPolarHBondContact O-CA 3.38Å; G99-I198 WeakPolarHBondContact CA-O 3.41Å; G99-I198 PolarHBondContact O-N 3.44Å
100	L	98.8	Very high	98.4	Very high	39 Å²	39	20 Å²	20	20%	0.204	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	127.6	-172.6	-82.3	72.8	0	0	0	113.1	A98 V295 Y304 R306	A98-L100 HydrophobicContact CB-CD1 3.92Å; A98-L100 PolarHBondContact O-N 3.36Å; L100-V295 HydrophobicContact CD2-CG1 3.6Å; L100-V295 HydrophobicContact CG-CG1 3.99Å; L100-Y304 HydrophobicContact CD1-CD2 3.72Å; L100-Y304 HydrophobicContact CD1-CE2 3.74Å; L100-Y304 HydrophobicContact CD2-CD2 3.4Å; L100-Y304 HydrophobicContact CD2-CE2 4.16Å; L100-Y304 HydrophobicContact CD2-CG 3.66Å; L100-Y304 HydrophobicContact CG-CD2 4.23Å; L100-R306 HydrophobicContact CD1-CG 4.25Å
101	T	98.7	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	90.7	-176.2	38.9	0	0	0	0	110	G99 Y121 F134 D195 G196 H197 I198 V406 I407	G99-T101 PolarHBondContact O-N 3.16Å; T101-Y121 HydrophobicContact CG2-CD2 4.3Å; T101-Y121 HydrophobicContact CG2-CE2 3.98Å; T101-F134 WeakPolarHBondContact OG1-CE2 3.09Å; T101-D195 WeakPolarHBondContact O-CB 3.24Å; T101-G196 PolarHBondContact N-O 3.4Å; T101-G196 PolarHBondContact O-N 2.8Å; T101-H197 WeakPolarHBondContact OG1-CA 3.3Å; T101-H197 PolarHBondContact OG1-N 2.77Å; T101-I198 HydrophobicContact CG2-CB 4.45Å; T101-I198 HydrophobicContact CG2-CG2 3.6Å; T101-V406 HydrophobicContact CG2-CG1 3.93Å; T101-I407 HydrophobicContact CG2-CB 4.14Å; T101-I407 HydrophobicContact CG2-CD1 4.15Å
102	T	98.8	Very high	98.4	Very high	33 Å²	33	23.3 Å²	23.3	20%	0.202	13%	0.133	C	C	.	.			trans	-107.8	146.9	179.3	178.7	0	0	0	0	113	Y104 H114 T192 D195 I407	T102-Y104 PolarHBondContact O-N 2.56Å; T102-Y104 PolarHBondContact OG1-N 2.86Å; T102-Y104 VanDerWaalsContact OG1-N 3.08Å; T102-H114 PolarHBondContact O-ND1 3.34Å; T102-T192 PolarHBondContact OG1-OG1 2.77Å; T102-D195 WeakPolarHBondContact CA-OD2 3.43Å; T102-D195 WeakPolarHBondContact CB-OD2 3.48Å; T102-D195 PolarHBondContact OG1-OD2 2.62Å; T102-I407 WeakPolarHBondContact O-CD1 3.5Å
103	Y	98.9	Very high	98.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.016	13%	0.127	C	C	.	.	S	Bend	trans	-64.4	-20.7	167.3	-82.1	-54	0	0	0	113.3	F115 I118 K119 P165 P193 D195	Y103-F115 HydrophobicContact CD1-CB 4.38Å; Y103-F115 HydrophobicContact CD1-CD2 4.08Å; Y103-F115 HydrophobicContact CE1-CB 4.32Å; Y103-F115 AromaticContact CE1-CD2 3.6Å; Y103-F115 HydrophobicContact CE1-CD2 3.6Å; Y103-F115 HydrophobicContact CE1-CE2 4.26Å; Y103-F115 HydrophobicContact CE1-CG 4.2Å; Y103-I118 HydrophobicContact CD1-CB 4.41Å; Y103-I118 HydrophobicContact CD1-CD1 3.55Å; Y103-I118 HydrophobicContact CD2-CD1 4.17Å; Y103-I118 HydrophobicContact CE1-CB 3.77Å; Y103-I118 HydrophobicContact CE1-CD1 3.78Å; Y103-I118 HydrophobicContact CE1-CG1 4.37Å; Y103-I118 HydrophobicContact CE1-CG2 3.83Å; Y103-I118 HydrophobicContact CE2-CD1 4.38Å; Y103-I118 HydrophobicContact CE2-CG2 4.13Å; Y103-I118 HydrophobicContact CG-CD1 3.74Å; Y103-I118 VanDerWaalsContact CZ-CG2 3.5Å; Y103-I118 VanDerWaalsContact OH-CG2 3.28Å; Y103-I118 WeakPolarHBondContact OH-CG2 3.25Å; Y103-K119 WeakPolarHBondContact OH-CE 3.35Å; Y103-K119 PolarHBondContact OH-NZ 3.1Å; Y103-K119 VanDerWaalsContact OH-NZ 3.09Å; Y103-P165 HydrophobicContact CD2-CG 3.73Å; Y103-P165 HydrophobicContact CE2-CG 3.75Å; Y103-P165 HydrophobicContact CG-CG 4.34Å; Y103-P193 WeakPolarHBondContact CE2-O 3.19Å; Y103-D195 HydrophobicContact CD2-CB 3.74Å; Y103-D195 HydrophobicContact CE2-CB 4.22Å; Y103-D195 HydrophobicContact CG-CB 4.31Å; Y103-D195 PolarHBondContact N-OD2 2.55Å
104	Y	98.8	Very high	98.5	Very high	15 Å²	15	21.7 Å²	21.7	6%	0.059	12%	0.119	C	C	.	.			trans	-70.1	130.4	-179	175.4	-89	0	0	0	112.3	T102 P106 H114 R141 Q155 L190	T102-Y104 PolarHBondContact O-N 2.56Å; T102-Y104 PolarHBondContact OG1-N 2.86Å; T102-Y104 VanDerWaalsContact OG1-N 3.08Å; Y104-P106 HydrophobicContact CE1-CB 4.39Å; Y104-P106 HydrophobicContact CE1-CG 4.49Å; Y104-H114 PolarHBondContact O-CE1 2.79Å; Y104-H114 PolarHBondContact O-ND1 2.65Å; Y104-R141 VanDerWaalsContact CE1-NH1 3.28Å; Y104-Q155 HydrophobicContact CE2-CB 4.49Å; Y104-Q155 HydrophobicContact CE2-CG 4.32Å; Y104-L190 HydrophobicContact CD2-CD2 3.77Å; Y104-L190 HydrophobicContact CE2-CD2 3.54Å
105	H	98.8	Very high	98.5	Very high	15 Å²	15	23.2 Å²	23.2	7%	0.069	13%	0.125	C	C	.	.			trans	-143.4	138.6	163.1	-171.8	-89.8	0	0	0	109.9	G107 L110 K111 H114	H105-G107 PolarHBondContact CE1-N 3.02Å; H105-G107 WeakPolarHBondContact ND1-CA 3.49Å; H105-G107 PolarHBondContact ND1-N 3Å; H105-L110 WeakPolarHBondContact CE1-CB 3.46Å; H105-L110 WeakPolarHBondContact CE1-CD1 3.36Å; H105-L110 VanDerWaalsContact ND1-CB 3.33Å; H105-L110 WeakPolarHBondContact ND1-CB 3.46Å; H105-K111 HydrophobicContact CB-CG 4.12Å; H105-K111 PolarHBondContact O-NZ 2.79Å; H105-H114 AromaticContact CD2-CE1 3.92Å; H105-H114 AromaticContact CD2-NE2 3.43Å; H105-H114 PolarHBondContact CD2-NE2 3.17Å; H105-H114 AromaticContact CG-NE2 3.94Å
106	P	98.4	Very high	98.5	Very high	59 Å²	59	20.4 Å²	20.4	38%	0.383	12%	0.116	S	C	.	.	S	Bend	trans	-77.3	-26.6	-175.8	29.3	-35.1	0	0	0	114.6	Y104 Q155 R158	Y104-P106 HydrophobicContact CE1-CB 4.39Å; Y104-P106 HydrophobicContact CE1-CG 4.49Å; P106-Q155 PolarHBondContact O-NE2 3.19Å; P106-Q155 VanDerWaalsContact O-NE2 3.08Å; P106-Q155 PolarHBondContact O-OE1 2.97Å; P106-R158 PolarHBondContact O-NH2 3.46Å
107	G	98.1	Very high	98.6	Very high	21 Å²	21	19.9 Å²	19.9	22%	0.216	11%	0.113	C	C	.	.	S	Bend	trans	-74.3	-167.2	169.6	0	0	0	0	0	112.7	H105 K111	H105-G107 PolarHBondContact CE1-N 3.02Å; H105-G107 WeakPolarHBondContact ND1-CA 3.49Å; H105-G107 PolarHBondContact ND1-N 3Å; G107-K111 WeakPolarHBondContact O-CE 3.44Å; G107-K111 PolarHBondContact O-NZ 2.74Å
108	I	98.7	Very high	98.7	Very high	23 Å²	23	18.5 Å²	18.5	12%	0.118	10%	0.102	C	C	.	.	S	Bend	trans	-103.6	-84.8	-171.7	-56.5	-60	0	0	0	111.5	L110 K111 R158 W161 N792	I108-L110 PolarHBondContact O-N 2.89Å; I108-L110 VanDerWaalsContact O-N 3.15Å; I108-K111 VanDerWaalsContact O-CB 3.23Å; I108-K111 WeakPolarHBondContact O-CB 3.47Å; I108-K111 VanDerWaalsContact O-CG 3.29Å; I108-K111 WeakPolarHBondContact O-CG 3.48Å; I108-K111 PolarHBondContact O-N 3.34Å; I108-R158 HydrophobicContact CD1-CB 4.33Å; I108-W161 HydrophobicContact CG2-CH2 3.56Å; I108-W161 HydrophobicContact CG2-CZ2 3.87Å; I108-N792 HydrophobicContact CD1-CB 3.62Å; I108-N792 HydrophobicContact CG1-CB 4.21Å
109	N	98.7	Very high	98.7	Very high	23 Å²	23	21.9 Å²	21.9	12%	0.123	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.1	-171	-77.6	-5.9	0	0	0	113.6	K111 K112 V113 Y427 D428 D739	N109-K111 PolarHBondContact O-N 3.28Å; N109-K112 WeakPolarHBondContact O-CA 3.46Å; N109-K112 VanDerWaalsContact O-CB 3.26Å; N109-K112 WeakPolarHBondContact O-CB 3.36Å; N109-K112 PolarHBondContact O-N 3.46Å; N109-V113 PolarHBondContact O-N 2.86Å; N109-Y427 HydrophobicContact CB-CD2 4.25Å; N109-Y427 HydrophobicContact CB-CE2 4.45Å; N109-D428 WeakPolarHBondContact CB-O 3.21Å; N109-D428 PolarHBondContact ND2-O 3.37Å; N109-D739 PolarHBondContact ND2-OD2 3.4Å
110	L	98.8	Very high	98.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-22.4	166.2	-79.9	163.5	0	0	0	114.6	H105 I108 K112 V113 H114 L384 L429 E431	H105-L110 WeakPolarHBondContact CE1-CB 3.46Å; H105-L110 WeakPolarHBondContact CE1-CD1 3.36Å; H105-L110 VanDerWaalsContact ND1-CB 3.33Å; H105-L110 WeakPolarHBondContact ND1-CB 3.46Å; I108-L110 PolarHBondContact O-N 2.89Å; I108-L110 VanDerWaalsContact O-N 3.15Å; L110-K112 PolarHBondContact O-N 2.94Å; L110-V113 HydrophobicContact CD2-CB 4.17Å; L110-V113 HydrophobicContact CD2-CG1 4.45Å; L110-V113 HydrophobicContact CD2-CG2 4.04Å; L110-V113 WeakPolarHBondContact O-CB 3.43Å; L110-V113 PolarHBondContact O-N 2.95Å; L110-V113 VanDerWaalsContact O-N 3.12Å; L110-H114 PolarHBondContact O-CD2 2.69Å; L110-H114 PolarHBondContact O-N 2.88Å; L110-L384 HydrophobicContact CD1-CD1 4.07Å; L110-L384 HydrophobicContact CD1-CD2 3.73Å; L110-L384 HydrophobicContact CD1-CG 4.47Å; L110-L429 HydrophobicContact CD2-CD2 4.2Å; L110-L429 HydrophobicContact CG-CD2 4.15Å; L110-E431 HydrophobicContact CD1-CG 3.83Å; L110-E431 HydrophobicContact CG-CG 4.37Å
111	K	98.9	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-34.5	167.7	-63.5	-179.6	-159.7	-72.8	0	111.3	H105 G107 I108 N109 F115 R158 T159	H105-K111 HydrophobicContact CB-CG 4.12Å; H105-K111 PolarHBondContact O-NZ 2.79Å; G107-K111 WeakPolarHBondContact O-CE 3.44Å; G107-K111 PolarHBondContact O-NZ 2.74Å; I108-K111 VanDerWaalsContact O-CB 3.23Å; I108-K111 WeakPolarHBondContact O-CB 3.47Å; I108-K111 VanDerWaalsContact O-CG 3.29Å; I108-K111 WeakPolarHBondContact O-CG 3.48Å; I108-K111 PolarHBondContact O-N 3.34Å; N109-K111 PolarHBondContact O-N 3.28Å; K111-F115 WeakPolarHBondContact O-CB 3.44Å; K111-F115 PolarHBondContact O-N 2.55Å; K111-R158 VanDerWaalsContact CE-O 3.28Å; K111-R158 WeakPolarHBondContact CE-O 3.5Å; K111-T159 HydrophobicContact CD-CG2 4.29Å; K111-T159 WeakPolarHBondContact CE-OG1 3.45Å; K111-T159 PolarHBondContact NZ-OG1 3.24Å
112	K	98.8	Very high	98.8	Very high	73 Å²	73	24.3 Å²	24.3	32%	0.317	13%	0.125	S	C	.	.	H	α-helix	trans	-71.3	-35.8	174.5	179	165.9	171.7	40.8	0	112.2	N109 L110 F115 D116 Y427	N109-K112 WeakPolarHBondContact O-CA 3.46Å; N109-K112 VanDerWaalsContact O-CB 3.26Å; N109-K112 WeakPolarHBondContact O-CB 3.36Å; N109-K112 PolarHBondContact O-N 3.46Å; L110-K112 PolarHBondContact O-N 2.94Å; K112-F115 PolarHBondContact O-N 2.85Å; K112-D116 IonicContact NZ-OD1 2.88Å; K112-D116 PolarHBondContact NZ-OD1 2.81Å; K112-D116 IonicContact NZ-OD2 2.61Å; K112-D116 PolarHBondContact NZ-OD2 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.44Å; K112-D116 PolarHBondContact O-N 3.38Å; K112-Y427 HydrophobicContact CB-CE2 4.3Å; K112-Y427 HydrophobicContact CD-CD1 3.95Å; K112-Y427 HydrophobicContact CD-CD2 4.35Å; K112-Y427 HydrophobicContact CD-CE1 3.81Å; K112-Y427 HydrophobicContact CD-CE2 4.21Å; K112-Y427 HydrophobicContact CD-CG 4.22Å; K112-Y427 VanDerWaalsContact CE-CE1 3.47Å; K112-Y427 HydrophobicContact CG-CE1 4.21Å; K112-Y427 HydrophobicContact CG-CE2 4.29Å
113	V	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.1	-48.5	172.7	171	0	0	0	0	110.7	N109 L110 F115 D116 S117 H408 I412 Y427 L429	N109-V113 PolarHBondContact O-N 2.86Å; L110-V113 HydrophobicContact CD2-CB 4.17Å; L110-V113 HydrophobicContact CD2-CG1 4.45Å; L110-V113 HydrophobicContact CD2-CG2 4.04Å; L110-V113 WeakPolarHBondContact O-CB 3.43Å; L110-V113 PolarHBondContact O-N 2.95Å; L110-V113 VanDerWaalsContact O-N 3.12Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 2.71Å; V113-D116 PolarHBondContact O-N 2.85Å; V113-S117 WeakPolarHBondContact O-CB 3.41Å; V113-S117 PolarHBondContact O-N 2.88Å; V113-S117 PolarHBondContact O-OG 3.01Å; V113-H408 HydrophobicContact CG1-CB 4.36Å; V113-I412 HydrophobicContact CB-CD1 4.39Å; V113-I412 HydrophobicContact CG1-CD1 3.77Å; V113-I412 HydrophobicContact CG1-CG1 3.74Å; V113-I412 HydrophobicContact CG2-CD1 3.66Å; V113-Y427 HydrophobicContact CG2-CE2 4.49Å; V113-Y427 VanDerWaalsContact CG2-OH 3.31Å; V113-Y427 WeakPolarHBondContact CG2-OH 3.38Å; V113-L429 HydrophobicContact CG2-CD1 3.82Å
114	H	98.9	Very high	98.7	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-43.3	175.9	-75.3	-134.3	0	0	0	111.7	T102 Y104 H105 L110 S117 I118 I407 H408	T102-H114 PolarHBondContact O-ND1 3.34Å; Y104-H114 PolarHBondContact O-CE1 2.79Å; Y104-H114 PolarHBondContact O-ND1 2.65Å; H105-H114 AromaticContact CD2-CE1 3.92Å; H105-H114 AromaticContact CD2-NE2 3.43Å; H105-H114 PolarHBondContact CD2-NE2 3.17Å; H105-H114 AromaticContact CG-NE2 3.94Å; L110-H114 PolarHBondContact O-CD2 2.69Å; L110-H114 PolarHBondContact O-N 2.88Å; H114-S117 PolarHBondContact O-N 2.99Å; H114-I118 PolarHBondContact O-N 3.42Å; H114-I407 HydrophobicContact CB-CD1 4.23Å; H114-I407 HydrophobicContact CB-CG1 4.24Å; H114-I407 WeakPolarHBondContact ND1-CG1 3.35Å; H114-H408 AromaticContact CD2-CD2 3.92Å; H114-H408 AromaticContact NE2-CD2 3.53Å; H114-H408 AromaticContact NE2-NE2 3.34Å; H114-H408 PolarHBondContact NE2-NE2 3.41Å
115	F	98.9	Very high	98.7	Very high	43 Å²	43	29.9 Å²	29.9	19%	0.189	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-50	178.3	-175.7	-86	0	0	0	112.8	Y103 K111 K112 V113 S117 I118 K119 V163	Y103-F115 HydrophobicContact CD1-CB 4.38Å; Y103-F115 HydrophobicContact CD1-CD2 4.08Å; Y103-F115 HydrophobicContact CE1-CB 4.32Å; Y103-F115 AromaticContact CE1-CD2 3.6Å; Y103-F115 HydrophobicContact CE1-CD2 3.6Å; Y103-F115 HydrophobicContact CE1-CE2 4.26Å; Y103-F115 HydrophobicContact CE1-CG 4.2Å; K111-F115 WeakPolarHBondContact O-CB 3.44Å; K111-F115 PolarHBondContact O-N 2.55Å; K112-F115 PolarHBondContact O-N 2.85Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 2.71Å; F115-S117 VanDerWaalsContact C-N 3.29Å; F115-S117 PolarHBondContact O-N 3.36Å; F115-I118 PolarHBondContact O-N 3.31Å; F115-K119 HydrophobicContact CD1-CG 4.09Å; F115-K119 HydrophobicContact CE1-CG 3.7Å; F115-K119 HydrophobicContact CE2-CG 4.38Å; F115-K119 HydrophobicContact CZ-CG 3.87Å; F115-K119 WeakPolarHBondContact O-CB 3.11Å; F115-K119 WeakPolarHBondContact O-CG 3.41Å; F115-K119 PolarHBondContact O-N 3.16Å; F115-V163 HydrophobicContact CD1-CG2 3.88Å; F115-V163 HydrophobicContact CD2-CB 4.44Å; F115-V163 HydrophobicContact CD2-CG2 3.72Å; F115-V163 HydrophobicContact CE1-CG2 3.88Å; F115-V163 HydrophobicContact CE2-CB 4.02Å; F115-V163 HydrophobicContact CE2-CG2 3.71Å; F115-V163 WeakPolarHBondContact CE2-O 3.48Å; F115-V163 HydrophobicContact CG-CG2 3.8Å; F115-V163 HydrophobicContact CZ-CB 4.12Å; F115-V163 HydrophobicContact CZ-CG2 3.79Å
116	D	98.9	Very high	98.6	Very high	22 Å²	22	34 Å²	34	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-34.1	179.4	-73.8	3.7	0	0	0	111.3	K112 V113 L120	K112-D116 IonicContact NZ-OD1 2.88Å; K112-D116 PolarHBondContact NZ-OD1 2.81Å; K112-D116 IonicContact NZ-OD2 2.61Å; K112-D116 PolarHBondContact NZ-OD2 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.44Å; K112-D116 PolarHBondContact O-N 3.38Å; V113-D116 PolarHBondContact O-N 2.85Å; D116-L120 WeakPolarHBondContact O-CB 3.35Å; D116-L120 PolarHBondContact O-N 3.22Å
117	S	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-55.1	170.5	-73.7	0	0	0	0	112.5	V113 H114 F115 K119 L120 Y121 I407 G410 G411	V113-S117 WeakPolarHBondContact O-CB 3.41Å; V113-S117 PolarHBondContact O-N 2.88Å; V113-S117 PolarHBondContact O-OG 3.01Å; H114-S117 PolarHBondContact O-N 2.99Å; F115-S117 VanDerWaalsContact C-N 3.29Å; F115-S117 PolarHBondContact O-N 3.36Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.38Å; S117-L120 WeakPolarHBondContact O-CB 3.24Å; S117-L120 PolarHBondContact O-N 2.86Å; S117-L120 VanDerWaalsContact O-N 3.1Å; S117-Y121 WeakPolarHBondContact O-CD1 3.42Å; S117-Y121 PolarHBondContact O-N 2.93Å; S117-I407 WeakPolarHBondContact CB-O 3.44Å; S117-I407 PolarHBondContact OG-O 2.6Å; S117-G410 PolarHBondContact OG-N 2.82Å; S117-G411 PolarHBondContact OG-N 2.99Å
118	I	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-39.8	-176.7	-70.9	162.8	0	0	0	110.7	Y103 H114 F115 L120 Y121 E122 F134 D195 I407	Y103-I118 HydrophobicContact CD1-CB 4.41Å; Y103-I118 HydrophobicContact CD1-CD1 3.55Å; Y103-I118 HydrophobicContact CD2-CD1 4.17Å; Y103-I118 HydrophobicContact CE1-CB 3.77Å; Y103-I118 HydrophobicContact CE1-CD1 3.78Å; Y103-I118 HydrophobicContact CE1-CG1 4.37Å; Y103-I118 HydrophobicContact CE1-CG2 3.83Å; Y103-I118 HydrophobicContact CE2-CD1 4.38Å; Y103-I118 HydrophobicContact CE2-CG2 4.13Å; Y103-I118 HydrophobicContact CG-CD1 3.74Å; Y103-I118 VanDerWaalsContact CZ-CG2 3.5Å; Y103-I118 VanDerWaalsContact OH-CG2 3.28Å; Y103-I118 WeakPolarHBondContact OH-CG2 3.25Å; H114-I118 PolarHBondContact O-N 3.42Å; F115-I118 PolarHBondContact O-N 3.31Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 3.19Å; I118-Y121 PolarHBondContact O-N 2.96Å; I118-Y121 VanDerWaalsContact O-N 3.11Å; I118-E122 WeakPolarHBondContact O-CG 3Å; I118-E122 PolarHBondContact O-N 3.39Å; I118-F134 HydrophobicContact CG1-CZ 4.39Å; I118-F134 HydrophobicContact CG2-CE1 3.97Å; I118-F134 HydrophobicContact CG2-CZ 3.82Å; I118-D195 HydrophobicContact CD1-CB 3.82Å; I118-I407 HydrophobicContact CD1-CD1 3.85Å; I118-I407 HydrophobicContact CG1-CD1 3.83Å
119	K	98.8	Very high	98.6	Very high	81 Å²	81	35.2 Å²	35.2	35%	0.352	21%	0.205	S	C	.	.	H	α-helix	trans	-70.6	-20.8	176	-65.9	-44.1	-169.3	-168.5	0	114.4	Y103 F115 S117 E122	Y103-K119 WeakPolarHBondContact OH-CE 3.35Å; Y103-K119 PolarHBondContact OH-NZ 3.1Å; Y103-K119 VanDerWaalsContact OH-NZ 3.09Å; F115-K119 HydrophobicContact CD1-CG 4.09Å; F115-K119 HydrophobicContact CE1-CG 3.7Å; F115-K119 HydrophobicContact CE2-CG 4.38Å; F115-K119 HydrophobicContact CZ-CG 3.87Å; F115-K119 WeakPolarHBondContact O-CB 3.11Å; F115-K119 WeakPolarHBondContact O-CG 3.41Å; F115-K119 PolarHBondContact O-N 3.16Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.38Å; K119-E122 WeakPolarHBondContact CD-OE2 3.4Å; K119-E122 WeakPolarHBondContact CE-OE2 3.28Å; K119-E122 IonicContact NZ-OE1 3.12Å; K119-E122 PolarHBondContact NZ-OE1 3.46Å; K119-E122 IonicContact NZ-OE2 3.98Å; K119-E122 PolarHBondContact NZ-OE2 2.89Å
120	L	98.9	Very high	98.4	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-50.8	162.8	175.4	62.8	0	0	0	110.7	Y71 H72 D116 S117 I118 E122 T123 L124 L207	Y71-L120 HydrophobicContact CE1-CD1 3.61Å; Y71-L120 HydrophobicContact CE1-CD2 4.15Å; Y71-L120 VanDerWaalsContact OH-CD1 3.25Å; Y71-L120 WeakPolarHBondContact OH-CD1 3.34Å; H72-L120 WeakPolarHBondContact NE2-CD2 3.12Å; D116-L120 WeakPolarHBondContact O-CB 3.35Å; D116-L120 PolarHBondContact O-N 3.22Å; S117-L120 WeakPolarHBondContact O-CB 3.24Å; S117-L120 PolarHBondContact O-N 2.86Å; S117-L120 VanDerWaalsContact O-N 3.1Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 3.19Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.01Å; L120-T123 PolarHBondContact O-N 3.24Å; L120-T123 PolarHBondContact O-OG1 2.66Å; L120-L124 HydrophobicContact CD1-CD2 3.9Å; L120-L124 HydrophobicContact CD1-CG 4.07Å; L120-L124 HydrophobicContact CG-CD1 4.17Å; L120-L124 HydrophobicContact CG-CD2 4.28Å; L120-L124 HydrophobicContact CG-CG 4.05Å; L120-L124 PolarHBondContact O-N 3.41Å; L120-L207 HydrophobicContact CD2-CD2 3.99Å
121	Y	98.8	Very high	98.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-33.4	-171.5	-56.5	-13.5	0	0	0	113.2	T101 S117 I118 T123 L124 I198 L203 V406 G410	T101-Y121 HydrophobicContact CG2-CD2 4.3Å; T101-Y121 HydrophobicContact CG2-CE2 3.98Å; S117-Y121 WeakPolarHBondContact O-CD1 3.42Å; S117-Y121 PolarHBondContact O-N 2.93Å; I118-Y121 PolarHBondContact O-N 2.96Å; I118-Y121 VanDerWaalsContact O-N 3.11Å; Y121-T123 PolarHBondContact O-N 3.01Å; Y121-T123 VanDerWaalsContact O-N 3.13Å; Y121-L124 HydrophobicContact CD1-CD1 3.95Å; Y121-I198 HydrophobicContact CD2-CD1 3.84Å; Y121-I198 HydrophobicContact CG-CD1 3.87Å; Y121-L203 HydrophobicContact CD1-CD1 3.54Å; Y121-L203 HydrophobicContact CE1-CD1 3.57Å; Y121-L203 HydrophobicContact CE1-CD2 4.13Å; Y121-L203 HydrophobicContact CE1-CG 4.47Å; Y121-L203 HydrophobicContact CE2-CD2 4.08Å; Y121-L203 HydrophobicContact CG-CD1 4.15Å; Y121-V406 PolarHBondContact OH-O 2.77Å; Y121-G410 PolarHBondContact OH-N 2.9Å
122	E	98.6	Very high	98.3	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-57.4	-20.2	169.5	-74	175.4	-173.9	0	0	114.3	I118 K119 L120 F134 Q136	I118-E122 WeakPolarHBondContact O-CG 3Å; I118-E122 PolarHBondContact O-N 3.39Å; K119-E122 WeakPolarHBondContact CD-OE2 3.4Å; K119-E122 WeakPolarHBondContact CE-OE2 3.28Å; K119-E122 IonicContact NZ-OE1 3.12Å; K119-E122 PolarHBondContact NZ-OE1 3.46Å; K119-E122 IonicContact NZ-OE2 3.98Å; K119-E122 PolarHBondContact NZ-OE2 2.89Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.01Å; E122-F134 HydrophobicContact CG-CD1 4.47Å; E122-F134 HydrophobicContact CG-CE1 4.01Å; E122-Q136 PolarHBondContact OE1-NE2 2.89Å
123	T	98.3	Very high	98.2	Very high	64 Å²	64	38.7 Å²	38.7	39%	0.393	24%	0.241	S	C	.	.	H	α-helix	trans	-113.8	-16.7	-172	64.5	0	0	0	0	114.5	L120 Y121 E125 A126 E127	L120-T123 PolarHBondContact O-N 3.24Å; L120-T123 PolarHBondContact O-OG1 2.66Å; Y121-T123 PolarHBondContact O-N 3.01Å; Y121-T123 VanDerWaalsContact O-N 3.13Å; T123-E125 VanDerWaalsContact C-N 3.35Å; T123-E125 PolarHBondContact O-N 3.29Å; T123-A126 PolarHBondContact O-N 3.25Å; T123-E127 PolarHBondContact O-N 3Å
124	L	98.1	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-36.4	-172.4	-80.7	175.3	0	0	0	113.9	Y71 L120 Y121 E127 T128 V132 L203 A206 L207	Y71-L124 HydrophobicContact CE2-CD2 4.16Å; L120-L124 HydrophobicContact CD1-CD2 3.9Å; L120-L124 HydrophobicContact CD1-CG 4.07Å; L120-L124 HydrophobicContact CG-CD1 4.17Å; L120-L124 HydrophobicContact CG-CD2 4.28Å; L120-L124 HydrophobicContact CG-CG 4.05Å; L120-L124 PolarHBondContact O-N 3.41Å; Y121-L124 HydrophobicContact CD1-CD1 3.95Å; L124-E127 PolarHBondContact O-N 2.84Å; L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 WeakPolarHBondContact O-CG2 3.45Å; L124-T128 PolarHBondContact O-N 3.02Å; L124-T128 PolarHBondContact O-OG1 3Å; L124-V132 HydrophobicContact CB-CG1 3.9Å; L124-V132 HydrophobicContact CD1-CG1 4.37Å; L124-L203 HydrophobicContact CD1-CD1 3.54Å; L124-A206 HydrophobicContact CB-CB 4.49Å; L124-L207 HydrophobicContact CD1-CD2 3.86Å; L124-L207 HydrophobicContact CD1-CG 4.03Å; L124-L207 HydrophobicContact CD2-CD2 3.98Å
125	E	98.1	Very high	98.2	Very high	105 Å²	105	43.9 Å²	43.9	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-45.7	178.2	179.5	169.6	171.2	0	0	111.7	T123 E127 T128 G129 Q130 A131	T123-E125 VanDerWaalsContact C-N 3.35Å; T123-E125 PolarHBondContact O-N 3.29Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.35Å; E125-T128 PolarHBondContact O-N 2.84Å; E125-G129 WeakPolarHBondContact O-CA 3.47Å; E125-G129 PolarHBondContact O-N 2.78Å; E125-Q130 WeakPolarHBondContact CA-O 3.31Å; E125-A131 VanDerWaalsContact CD-CA 3.45Å; E125-A131 HydrophobicContact CG-CB 4.44Å; E125-A131 WeakPolarHBondContact OE2-CA 3.35Å
126	A	98.2	Very high	98.1	Very high	100 Å²	100	45.7 Å²	45.7	83%	0.826	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-28.3	176.9	0	0	0	0	0	112.9	T123	T123-A126 PolarHBondContact O-N 3.25Å
127	E	98.3	Very high	98.1	Very high	41 Å²	41	46 Å²	46	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-79.3	-39.6	175.9	177.9	173.3	-170.8	0	0	113.2	Y71 K75 T123 L124 E125 Y214	Y71-E127 WeakPolarHBondContact CE2-OE1 3.39Å; Y71-E127 PolarHBondContact OH-OE1 3.47Å; Y71-E127 PolarHBondContact OH-OE2 3.11Å; K75-E127 WeakPolarHBondContact CE-OE1 3.16Å; K75-E127 IonicContact NZ-OE1 2.68Å; K75-E127 PolarHBondContact NZ-OE1 3.18Å; K75-E127 IonicContact NZ-OE2 3.25Å; K75-E127 PolarHBondContact NZ-OE2 2.87Å; T123-E127 PolarHBondContact O-N 3Å; L124-E127 PolarHBondContact O-N 2.84Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.35Å; E127-Y214 VanDerWaalsContact OE1-CE2 3.26Å; E127-Y214 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y214 PolarHBondContact OE1-OH 3.28Å; E127-Y214 VanDerWaalsContact OE1-OH 3.04Å
128	T	97.9	Very high	98.1	Very high	20 Å²	20	46 Å²	46	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-110.6	-13.5	-166.3	66.8	0	0	0	0	114.6	L124 E125 Q130 A206	L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 WeakPolarHBondContact O-CG2 3.45Å; L124-T128 PolarHBondContact O-N 3.02Å; L124-T128 PolarHBondContact O-OG1 3Å; E125-T128 PolarHBondContact O-N 2.84Å; T128-Q130 PolarHBondContact O-N 2.67Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-A206 WeakPolarHBondContact CG2-O 3.09Å
129	G	97.2	Very high	98.1	Very high	69 Å²	69	46.4 Å²	46.4	71%	0.711	28%	0.279	S	S	*	.	S	Bend	trans	70.8	12.2	-171.3	0	0	0	0	0	114.1	E125	E125-G129 WeakPolarHBondContact O-CA 3.47Å; E125-G129 PolarHBondContact O-N 2.78Å
130	Q	95.9	Very high	98.1	Very high	74 Å²	74	42.7 Å²	42.7	35%	0.346	26%	0.263	S	S	.	.			trans	-113.7	117.2	179.2	-60.5	-170.7	6.6	0	0	110.3	E125 T128 V132 M205 A206	E125-Q130 WeakPolarHBondContact CA-O 3.31Å; T128-Q130 PolarHBondContact O-N 2.67Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; Q130-V132 PolarHBondContact O-N 3.47Å; Q130-M205 PolarHBondContact OE1-O 3.15Å; Q130-A206 HydrophobicContact CB-CB 4.11Å
131	A	96.5	Very high	98.1	Very high	59 Å²	59	43.5 Å²	43.5	49%	0.488	27%	0.265	S	S	.	.			trans	-62.7	123.5	173.7	0	0	0	0	0	110.2	E125 S202	E125-A131 VanDerWaalsContact CD-CA 3.45Å; E125-A131 HydrophobicContact CG-CB 4.44Å; E125-A131 WeakPolarHBondContact OE2-CA 3.35Å; A131-S202 WeakPolarHBondContact O-CB 2.92Å
132	V	97.4	Very high	98.1	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	27%	0.265	C	S	.	.			trans	-89.9	-3.9	-177.7	-66.5	0	0	0	0	113.3	L124 Q130 F134 I198 A206	L124-V132 HydrophobicContact CB-CG1 3.9Å; L124-V132 HydrophobicContact CD1-CG1 4.37Å; Q130-V132 PolarHBondContact O-N 3.47Å; V132-F134 HydrophobicContact CG2-CB 3.97Å; V132-I198 HydrophobicContact CB-CD1 4.06Å; V132-I198 HydrophobicContact CB-CG1 4.38Å; V132-I198 HydrophobicContact CG2-CD1 3.97Å; V132-I198 HydrophobicContact CG2-CG1 4.49Å; V132-I198 VanDerWaalsContact O-CG1 3.24Å; V132-I198 WeakPolarHBondContact O-CG1 3.28Å; V132-A206 HydrophobicContact CG1-CB 3.55Å
133	G	97.3	Very high	98.1	Very high	33 Å²	33	39.8 Å²	39.8	34%	0.34	25%	0.248	S	C	.	.			trans	60.5	45.1	-177.3	0	0	0	0	0	112.5	H135 I198 D199	G133-H135 PolarHBondContact O-CD2 2.9Å; G133-I198 WeakPolarHBondContact O-CA 3.29Å; G133-D199 PolarHBondContact O-N 2.81Å
134	F	98.6	Very high	98.1	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.7	179.7	-173.6	-152.6	0	0	0	111	T101 I118 E122 V132 Q136 H197 I198	T101-F134 WeakPolarHBondContact OG1-CE2 3.09Å; I118-F134 HydrophobicContact CG1-CZ 4.39Å; I118-F134 HydrophobicContact CG2-CE1 3.97Å; I118-F134 HydrophobicContact CG2-CZ 3.82Å; E122-F134 HydrophobicContact CG-CD1 4.47Å; E122-F134 HydrophobicContact CG-CE1 4.01Å; V132-F134 HydrophobicContact CG2-CB 3.97Å; F134-Q136 HydrophobicContact CD1-CG 3.79Å; F134-Q136 HydrophobicContact CD2-CG 4.13Å; F134-Q136 VanDerWaalsContact CE1-CD 3.44Å; F134-Q136 HydrophobicContact CE1-CG 3.57Å; F134-Q136 HydrophobicContact CE2-CG 3.92Å; F134-Q136 HydrophobicContact CG-CG 4.06Å; F134-Q136 HydrophobicContact CZ-CG 3.63Å; F134-H197 WeakPolarHBondContact CD2-O 3.27Å; F134-I198 HydrophobicContact CB-CB 4.44Å; F134-I198 HydrophobicContact CB-CD1 3.79Å; F134-I198 HydrophobicContact CB-CG1 3.88Å; F134-I198 HydrophobicContact CD2-CB 3.96Å; F134-I198 HydrophobicContact CD2-CD1 4.25Å; F134-I198 HydrophobicContact CD2-CG1 4.3Å; F134-I198 HydrophobicContact CG-CD1 4.04Å; F134-I198 HydrophobicContact CG-CG1 4.35Å
135	H	98.7	Very high	98.1	Very high	81 Å²	81	40.1 Å²	40.1	38%	0.375	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.9	177.4	-73.9	-106	0	0	0	109.9	G133 P137 G196 H197 E292	G133-H135 PolarHBondContact O-CD2 2.9Å; H135-P137 WeakPolarHBondContact O-CD 3.23Å; H135-G196 WeakPolarHBondContact O-CA 3.36Å; H135-H197 VanDerWaalsContact CB-NE2 3.27Å; H135-H197 WeakPolarHBondContact CB-NE2 3.16Å; H135-H197 AromaticContact CD2-CE1 3.78Å; H135-H197 AromaticContact CG-CE1 3.65Å; H135-H197 AromaticContact CG-NE2 3.61Å; H135-H197 PolarHBondContact N-O 3.31Å; H135-H197 PolarHBondContact O-N 2.69Å; H135-H197 VanDerWaalsContact O-N 3.08Å; H135-E292 IonicContact CE1-OE2 2.73Å; H135-E292 IonicContact CG-OE1 2.83Å; H135-E292 IonicContact CG-OE2 3.63Å; H135-E292 VanDerWaalsContact ND1-CD 3.32Å; H135-E292 IonicContact ND1-OE1 3.72Å; H135-E292 PolarHBondContact ND1-OE1 2.66Å; H135-E292 IonicContact ND1-OE2 3.21Å; H135-E292 PolarHBondContact ND1-OE2 3.34Å
136	Q	98.7	Very high	98.1	Very high	82 Å²	82	38.7 Å²	38.7	38%	0.383	26%	0.257	S	S	.	.			trans	-118.5	45.4	-170.7	-60.4	-174	-91.2	0	0	115.3	E122 F134 G138 G194 D195	E122-Q136 PolarHBondContact OE1-NE2 2.89Å; F134-Q136 HydrophobicContact CD1-CG 3.79Å; F134-Q136 HydrophobicContact CD2-CG 4.13Å; F134-Q136 VanDerWaalsContact CE1-CD 3.44Å; F134-Q136 HydrophobicContact CE1-CG 3.57Å; F134-Q136 HydrophobicContact CE2-CG 3.92Å; F134-Q136 HydrophobicContact CG-CG 4.06Å; F134-Q136 HydrophobicContact CZ-CG 3.63Å; Q136-G138 PolarHBondContact O-N 2.8Å; Q136-G194 PolarHBondContact NE2-O 3.3Å; Q136-D195 CarbonylContact C-O 3.59Å; Q136-D195 VanDerWaalsContact C-O 3.24Å; Q136-D195 VanDerWaalsContact CA-O 3.26Å; Q136-D195 WeakPolarHBondContact CA-O 3.4Å
137	P	98.7	Very high	98.1	Very high	27 Å²	27	35.4 Å²	35.4	18%	0.175	23%	0.23	C	C	.	.	S	Bend	trans	-70.5	-10.9	179	33.2	-37.9	0	0	0	114	H135 E292 L293	H135-P137 WeakPolarHBondContact O-CD 3.23Å; P137-E292 HydrophobicContact CB-CB 4.3Å; P137-E292 HydrophobicContact CB-CG 4.31Å; P137-E292 HydrophobicContact CG-CG 4.2Å; P137-L293 WeakPolarHBondContact CB-O 3.39Å; P137-L293 VanDerWaalsContact CG-O 3.3Å; P137-L293 WeakPolarHBondContact CG-O 3.28Å
138	G	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.222	C	C	.	.			trans	88.1	164.8	-170.7	0	0	0	0	0	113	Q136 T192 D195 A294 V295	Q136-G138 PolarHBondContact O-N 2.8Å; G138-T192 CarbonylContact C-O 3.59Å; G138-T192 WeakPolarHBondContact CA-O 3.32Å; G138-D195 VanDerWaalsContact C-OD1 3.24Å; G138-D195 VanDerWaalsContact CA-O 3.24Å; G138-D195 WeakPolarHBondContact CA-O 3.38Å; G138-D195 WeakPolarHBondContact CA-OD1 3.38Å; G138-D195 PolarHBondContact N-O 3.2Å; G138-A294 CarbonylContact O-C 3.01Å; G138-A294 VanDerWaalsContact O-CA 3.29Å; G138-A294 WeakPolarHBondContact O-CA 3.38Å; G138-A294 WeakPolarHBondContact O-CB 3.31Å; G138-V295 PolarHBondContact O-N 2.75Å
139	S	98.9	Very high	98.2	Very high	9 Å²	9	34 Å²	34	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.5	-177.7	-54.3	0	0	0	0	111.9	Y191 T192 D195 V295	S139-Y191 CarbonylContact O-C 3.57Å; S139-Y191 VanDerWaalsContact O-CA 3.31Å; S139-Y191 WeakPolarHBondContact O-CA 3.22Å; S139-Y191 WeakPolarHBondContact O-CD2 3.49Å; S139-T192 PolarHBondContact N-O 2.88Å; S139-T192 PolarHBondContact O-N 2.7Å; S139-T192 PolarHBondContact O-OG1 2.94Å; S139-D195 WeakPolarHBondContact CB-OD1 3.28Å; S139-D195 PolarHBondContact N-OD1 2.83Å; S139-D195 PolarHBondContact OG-OD1 3.32Å; S139-V295 CarbonylContact C-O 3.58Å; S139-V295 VanDerWaalsContact CA-O 3.23Å; S139-V295 WeakPolarHBondContact CA-O 3.44Å
140	V	98.9	Very high	98.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.1	177.5	-178.1	0	0	0	0	110.2	I142 V174 L177 L190 Y191 A294 V295 I296 R297	V140-I142 HydrophobicContact CG1-CG1 4.49Å; V140-V174 HydrophobicContact CG1-CG1 4.24Å; V140-V174 HydrophobicContact CG1-CG2 4.2Å; V140-L177 HydrophobicContact CG2-CD1 3.88Å; V140-L190 WeakPolarHBondContact CA-O 3.38Å; V140-Y191 HydrophobicContact CG2-CD2 3.68Å; V140-Y191 HydrophobicContact CG2-CE2 4.47Å; V140-Y191 HydrophobicContact CG2-CG 4.42Å; V140-A294 HydrophobicContact CG2-CB 4.24Å; V140-V295 PolarHBondContact N-O 3.22Å; V140-I296 CarbonylContact O-C 3.55Å; V140-I296 VanDerWaalsContact O-CA 3.31Å; V140-I296 WeakPolarHBondContact O-CA 3.08Å; V140-R297 PolarHBondContact O-N 3.29Å
141	R	98.9	Very high	98.4	Very high	31 Å²	31	28.6 Å²	28.6	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.3	162.8	-57.9	175.1	69.3	91.3	-4	108.4	Y104 M152 G189 L190 L299	Y104-R141 VanDerWaalsContact CE1-NH1 3.28Å; R141-M152 HydrophobicContact CB-CE 4.3Å; R141-M152 WeakPolarHBondContact O-CE 2.94Å; R141-G189 CarbonylContact O-C 3.57Å; R141-G189 VanDerWaalsContact O-CA 3.29Å; R141-G189 WeakPolarHBondContact O-CA 3.37Å; R141-L190 HydrophobicContact CB-CB 4.31Å; R141-L190 PolarHBondContact N-O 2.82Å; R141-L190 PolarHBondContact O-N 3.4Å; R141-L299 HydrophobicContact CB-CD1 4.31Å; R141-L299 VanDerWaalsContact NH2-CD2 3.29Å
142	I	98.3	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.9	-174.7	-62.4	167.1	0	0	0	110.5	V140 L181 V186 I296 R297 L299	V140-I142 HydrophobicContact CG1-CG1 4.49Å; I142-L181 HydrophobicContact CD1-CD1 3.98Å; I142-L181 HydrophobicContact CD1-CD2 3.94Å; I142-V186 HydrophobicContact CG2-CG1 4.26Å; I142-V186 HydrophobicContact CG2-CG2 3.9Å; I142-I296 HydrophobicContact CD1-CB 4.12Å; I142-I296 HydrophobicContact CD1-CD1 4.29Å; I142-I296 HydrophobicContact CD1-CG2 4.48Å; I142-R297 PolarHBondContact N-O 3.4Å; I142-L299 WeakPolarHBondContact O-CG 3.48Å
143	A	98.4	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112	171.1	0	0	0	0	0	110.8	R148 V149 M152 L187 A188	A143-R148 HydrophobicContact CB-CB 3.42Å; A143-R148 VanDerWaalsContact CB-CB 3.42Å; A143-V149 HydrophobicContact CB-CG2 4.12Å; A143-M152 HydrophobicContact CB-CE 3.49Å; A143-M152 VanDerWaalsContact CB-CE 3.49Å; A143-M152 HydrophobicContact CB-SD 3.63Å; A143-L187 WeakPolarHBondContact O-CB 3.32Å; A143-L187 PolarHBondContact O-N 3.34Å; A143-A188 HydrophobicContact CB-CB 4.25Å; A143-A188 PolarHBondContact N-O 3.39Å; A143-A188 PolarHBondContact O-N 2.96Å
144	S	97.7	Very high	98.6	Very high	25 Å²	25	28.1 Å²	28.1	18%	0.175	16%	0.157	C	C	.	.			trans	-106.6	1.5	178.1	-46.6	0	0	0	0	113.6	K185	S144-K185 WeakPolarHBondContact CA-O 3.47Å
145	T	98.6	Very high	98.7	Very high	47 Å²	47	26.8 Å²	26.8	29%	0.288	15%	0.152	S	C	.	.	S	Bend	trans	-139.4	157.9	177.3	64.7	0	0	0	0	111.7	A147 R148 V149 E300	T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 3.29Å; T145-R148 WeakPolarHBondContact O-CB 3.48Å; T145-R148 PolarHBondContact O-N 2.96Å; T145-R148 WeakPolarHBondContact OG1-CG 3.35Å; T145-V149 PolarHBondContact O-N 2.89Å; T145-E300 HydrophobicContact CG2-CG 4.22Å; T145-E300 WeakPolarHBondContact CG2-OE2 3.28Å; T145-E300 PolarHBondContact OG1-OE2 2.84Å
146	A	98.3	Very high	98.7	Very high	74 Å²	74	23.5 Å²	23.5	61%	0.612	14%	0.137	S	C	*	.	H	α-helix	trans	-61	-32.9	-179.7	0	0	0	0	0	113	R148 V149 D150	A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 2.69Å; A146-V149 PolarHBondContact O-N 2.88Å; A146-D150 PolarHBondContact O-N 2.87Å; A146-D150 VanDerWaalsContact O-N 3.11Å
147	A	98.4	Very high	98.7	Very high	31 Å²	31	19.7 Å²	19.7	26%	0.256	12%	0.119	S	C	.	.	H	α-helix	trans	-61.7	-37.7	173.9	0	0	0	0	0	112.1	T145 D150 E151 V460 F514	T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 3.29Å; A147-D150 PolarHBondContact O-N 3.11Å; A147-E151 WeakPolarHBondContact O-CB 3.43Å; A147-E151 PolarHBondContact O-N 2.78Å; A147-V460 HydrophobicContact CB-CG2 4.27Å; A147-F514 WeakPolarHBondContact O-CE2 3.5Å
148	R	98.6	Very high	98.7	Very high	8 Å²	8	19.5 Å²	19.5	3%	0.03	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-36.6	174	-62.2	-58.4	179.2	169.3	3.3	113.3	A143 T145 A146 D150 E151 M152 L299 E300 N458 V459	A143-R148 HydrophobicContact CB-CB 3.42Å; A143-R148 VanDerWaalsContact CB-CB 3.42Å; T145-R148 WeakPolarHBondContact O-CB 3.48Å; T145-R148 PolarHBondContact O-N 2.96Å; T145-R148 WeakPolarHBondContact OG1-CG 3.35Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 2.69Å; R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 3.14Å; R148-E151 WeakPolarHBondContact CD-OE2 3.14Å; R148-E151 IonicContact CZ-OE2 2.59Å; R148-E151 IonicContact NE-OE2 3.42Å; R148-E151 IonicContact NH1-OE1 3.26Å; R148-E151 IonicContact NH1-OE2 3.94Å; R148-E151 PolarHBondContact NH1-OE2 3.33Å; R148-E151 PolarHBondContact O-N 3.12Å; R148-M152 WeakPolarHBondContact O-CB 3.44Å; R148-M152 VanDerWaalsContact O-CG 3.25Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.25Å; R148-L299 PolarHBondContact NH2-O 2.77Å; R148-E300 IonicContact CZ-OE1 3.87Å; R148-E300 IonicContact NE-OE1 3.04Å; R148-E300 PolarHBondContact NE-OE1 3Å; R148-E300 IonicContact NH2-OE1 2.68Å; R148-E300 PolarHBondContact NH2-OE1 2.99Å; R148-N458 PolarHBondContact NH1-O 3.15Å; R148-N458 PolarHBondContact NH2-O 2.83Å; R148-V459 PolarHBondContact NH1-O 3.47Å
149	V	98.8	Very high	98.7	Very high	25 Å²	25	19.6 Å²	19.6	15%	0.152	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-38.4	174.5	169.5	0	0	0	0	110.5	A143 T145 A146 K153 F168 L187 A188	A143-V149 HydrophobicContact CB-CG2 4.12Å; T145-V149 PolarHBondContact O-N 2.89Å; A146-V149 PolarHBondContact O-N 2.88Å; V149-K153 VanDerWaalsContact O-CG 3.31Å; V149-K153 WeakPolarHBondContact O-CG 3.23Å; V149-K153 PolarHBondContact O-N 3.33Å; V149-F168 HydrophobicContact CG1-CE2 4.44Å; V149-F168 HydrophobicContact CG1-CZ 4.2Å; V149-L187 HydrophobicContact CG2-CB 3.72Å; V149-L187 HydrophobicContact CG2-CD1 4.14Å; V149-A188 HydrophobicContact CG2-CB 4.23Å
150	D	98.8	Very high	98.7	Very high	20 Å²	20	22.6 Å²	22.6	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-77.8	-34.1	174.5	-79.3	0.8	0	0	0	113.4	A146 A147 R148 M152 K153 Y154 F514 R515	A146-D150 PolarHBondContact O-N 2.87Å; A146-D150 VanDerWaalsContact O-N 3.11Å; A147-D150 PolarHBondContact O-N 3.11Å; R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 3.14Å; D150-M152 VanDerWaalsContact C-N 3.31Å; D150-M152 PolarHBondContact O-N 3.37Å; D150-K153 PolarHBondContact O-N 2.87Å; D150-K153 WeakPolarHBondContact OD1-CE 3.46Å; D150-K153 IonicContact OD1-NZ 2.67Å; D150-K153 PolarHBondContact OD1-NZ 2.95Å; D150-Y154 WeakPolarHBondContact O-CB 3.26Å; D150-Y154 PolarHBondContact O-N 2.96Å; D150-F514 HydrophobicContact CB-CD2 3.78Å; D150-F514 HydrophobicContact CB-CE2 4.33Å; D150-F514 HydrophobicContact CB-CG 4.28Å; D150-R515 IonicContact OD2-CZ 3.32Å; D150-R515 VanDerWaalsContact OD2-CZ 3.25Å; D150-R515 IonicContact OD2-NH1 3.59Å; D150-R515 PolarHBondContact OD2-NH1 2.91Å; D150-R515 IonicContact OD2-NH2 3.15Å; D150-R515 PolarHBondContact OD2-NH2 3.33Å
151	E	98.9	Very high	98.6	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-44.1	169.2	-175.8	-178.1	-151	0	0	111.5	A147 R148 Y154 Q155 V460 G461 F514	A147-E151 WeakPolarHBondContact O-CB 3.43Å; A147-E151 PolarHBondContact O-N 2.78Å; R148-E151 WeakPolarHBondContact CD-OE2 3.14Å; R148-E151 IonicContact CZ-OE2 2.59Å; R148-E151 IonicContact NE-OE2 3.42Å; R148-E151 IonicContact NH1-OE1 3.26Å; R148-E151 IonicContact NH1-OE2 3.94Å; R148-E151 PolarHBondContact NH1-OE2 3.33Å; R148-E151 PolarHBondContact O-N 3.12Å; E151-Y154 WeakPolarHBondContact O-CB 3.12Å; E151-Y154 PolarHBondContact O-N 3.42Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 2.84Å; E151-V460 HydrophobicContact CB-CG1 4.34Å; E151-G461 PolarHBondContact OE1-N 3.45Å; E151-F514 VanDerWaalsContact CA-CZ 3.4Å; E151-F514 HydrophobicContact CB-CE1 4.39Å; E151-F514 HydrophobicContact CB-CE2 4.06Å; E151-F514 HydrophobicContact CB-CZ 3.58Å; E151-F514 HydrophobicContact CG-CZ 4.08Å
152	M	98.8	Very high	98.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.1	-71.1	-178	173.6	0	0	111.9	R141 A143 R148 D150 Q155 M156 F168 A188 L190	R141-M152 HydrophobicContact CB-CE 4.3Å; R141-M152 WeakPolarHBondContact O-CE 2.94Å; A143-M152 HydrophobicContact CB-CE 3.49Å; A143-M152 VanDerWaalsContact CB-CE 3.49Å; A143-M152 HydrophobicContact CB-SD 3.63Å; R148-M152 WeakPolarHBondContact O-CB 3.44Å; R148-M152 VanDerWaalsContact O-CG 3.25Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.25Å; D150-M152 VanDerWaalsContact C-N 3.31Å; D150-M152 PolarHBondContact O-N 3.37Å; M152-Q155 PolarHBondContact O-N 3.45Å; M152-M156 VanDerWaalsContact O-CG 3.31Å; M152-M156 WeakPolarHBondContact O-CG 3.48Å; M152-M156 PolarHBondContact O-N 2.95Å; M152-F168 HydrophobicContact CB-CD2 3.84Å; M152-F168 HydrophobicContact CB-CE2 3.95Å; M152-F168 HydrophobicContact SD-CD2 4.4Å; M152-F168 HydrophobicContact SD-CE2 4.25Å; M152-A188 HydrophobicContact SD-CB 4.16Å; M152-L190 HydrophobicContact CB-CD1 4.34Å; M152-L190 HydrophobicContact CE-CB 3.83Å; M152-L190 HydrophobicContact CG-CB 3.91Å; M152-L190 HydrophobicContact CG-CD2 4.45Å; M152-L190 HydrophobicContact SD-CB 3.88Å
153	K	98.9	Very high	98.6	Very high	59 Å²	59	30.7 Å²	30.7	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-41.3	175.1	-66.5	167.2	-161.1	164.3	0	112.1	V149 D150 M156 T157 L839	V149-K153 VanDerWaalsContact O-CG 3.31Å; V149-K153 WeakPolarHBondContact O-CG 3.23Å; V149-K153 PolarHBondContact O-N 3.33Å; D150-K153 PolarHBondContact O-N 2.87Å; D150-K153 WeakPolarHBondContact OD1-CE 3.46Å; D150-K153 IonicContact OD1-NZ 2.67Å; D150-K153 PolarHBondContact OD1-NZ 2.95Å; K153-M156 PolarHBondContact O-N 2.69Å; K153-T157 PolarHBondContact O-N 2.7Å; K153-L839 HydrophobicContact CB-CB 4.46Å; K153-L839 WeakPolarHBondContact CD-O 3.44Å
154	Y	98.9	Very high	98.4	Very high	22 Å²	22	31.1 Å²	31.1	9%	0.086	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172.8	171.3	-106	0	0	0	111.1	D150 E151 M156 T157 R158 P463 F514 E790	D150-Y154 WeakPolarHBondContact O-CB 3.26Å; D150-Y154 PolarHBondContact O-N 2.96Å; E151-Y154 WeakPolarHBondContact O-CB 3.12Å; E151-Y154 PolarHBondContact O-N 3.42Å; Y154-M156 PolarHBondContact O-N 2.86Å; Y154-T157 VanDerWaalsContact O-CG2 3.26Å; Y154-T157 WeakPolarHBondContact O-CG2 3.42Å; Y154-R158 VanDerWaalsContact CE1-CD 3.46Å; Y154-R158 VanDerWaalsContact O-CD 3.31Å; Y154-R158 WeakPolarHBondContact O-CD 3.36Å; Y154-R158 VanDerWaalsContact O-CG 3.29Å; Y154-R158 WeakPolarHBondContact O-CG 3.18Å; Y154-R158 PolarHBondContact O-N 3.47Å; Y154-R158 PolarHBondContact OH-NH1 2.92Å; Y154-R158 VanDerWaalsContact OH-NH1 3.11Å; Y154-P463 HydrophobicContact CE2-CB 4.07Å; Y154-P463 HydrophobicContact CE2-CG 4.43Å; Y154-F514 HydrophobicContact CD1-CD1 4.37Å; Y154-F514 AromaticContact CD1-CE1 3.84Å; Y154-F514 HydrophobicContact CD1-CE1 3.84Å; Y154-F514 HydrophobicContact CD2-CD1 4.31Å; Y154-F514 AromaticContact CG-CD1 3.95Å; Y154-F514 HydrophobicContact CG-CD1 3.95Å; Y154-F514 AromaticContact CG-CE1 3.87Å; Y154-F514 HydrophobicContact CG-CE1 3.87Å; Y154-E790 WeakPolarHBondContact CE2-OE1 3.49Å; Y154-E790 PolarHBondContact OH-OE1 3.21Å
155	Q	98.9	Very high	98.4	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.023	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-27	175.7	-71	-64	-14.3	0	0	114	Y104 P106 E151 M152 R158 T159 Q166 L190	Y104-Q155 HydrophobicContact CE2-CB 4.49Å; Y104-Q155 HydrophobicContact CE2-CG 4.32Å; P106-Q155 PolarHBondContact O-NE2 3.19Å; P106-Q155 VanDerWaalsContact O-NE2 3.08Å; P106-Q155 PolarHBondContact O-OE1 2.97Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 2.84Å; M152-Q155 PolarHBondContact O-N 3.45Å; Q155-R158 PolarHBondContact O-N 3.4Å; Q155-T159 VanDerWaalsContact O-CB 3.3Å; Q155-T159 WeakPolarHBondContact O-CB 3.3Å; Q155-T159 PolarHBondContact O-N 2.66Å; Q155-T159 PolarHBondContact O-OG1 3.38Å; Q155-Q166 PolarHBondContact O-NE2 2.88Å; Q155-L190 HydrophobicContact CB-CD2 4.22Å
156	M	98.9	Very high	98.4	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-50.6	174.4	-74.5	-60.4	-61.5	0	0	112.2	M152 K153 Y154 R158 T159 H160 Q166 F168 L190	M152-M156 VanDerWaalsContact O-CG 3.31Å; M152-M156 WeakPolarHBondContact O-CG 3.48Å; M152-M156 PolarHBondContact O-N 2.95Å; K153-M156 PolarHBondContact O-N 2.69Å; Y154-M156 PolarHBondContact O-N 2.86Å; M156-R158 PolarHBondContact O-N 3.15Å; M156-T159 PolarHBondContact O-N 2.88Å; M156-H160 WeakPolarHBondContact CE-CE1 3.25Å; M156-H160 WeakPolarHBondContact CE-NE2 3.36Å; M156-H160 PolarHBondContact O-CD2 3.35Å; M156-H160 PolarHBondContact O-N 2.93Å; M156-Q166 WeakPolarHBondContact CE-O 3.34Å; M156-Q166 HydrophobicContact SD-CB 4.39Å; M156-Q166 HydrophobicContact SD-CG 3.9Å; M156-Q166 PolarHBondContact SD-NE2 3.26Å; M156-Q166 VanDerWaalsContact SD-NE2 3.4Å; M156-F168 HydrophobicContact CG-CB 4.09Å; M156-F168 HydrophobicContact SD-CB 4.43Å; M156-L190 HydrophobicContact CG-CD1 3.85Å; M156-L190 HydrophobicContact SD-CD1 3.48Å; M156-L190 WeakPolarHBondContact SD-CD1 3.19Å
157	T	98.9	Very high	98.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-25	175.4	-174.6	0	0	0	0	112.5	K153 Y154 T159 E793 T794 E837	K153-T157 PolarHBondContact O-N 2.7Å; Y154-T157 VanDerWaalsContact O-CG2 3.26Å; Y154-T157 WeakPolarHBondContact O-CG2 3.42Å; T157-T159 VanDerWaalsContact C-N 3.32Å; T157-E793 HydrophobicContact CG2-CB 4.44Å; T157-E793 HydrophobicContact CG2-CG 4.21Å; T157-E793 WeakPolarHBondContact OG1-CA 3.37Å; T157-E793 WeakPolarHBondContact OG1-CB 3.27Å; T157-T794 PolarHBondContact O-N 2.99Å; T157-T794 PolarHBondContact O-OG1 3.04Å; T157-T794 PolarHBondContact OG1-N 3.26Å; T157-E837 VanDerWaalsContact CB-O 3.32Å; T157-E837 WeakPolarHBondContact CB-O 3.09Å; T157-E837 PolarHBondContact OG1-O 2.92Å
158	R	98.9	Very high	98.4	Very high	23 Å²	23	35 Å²	35	9%	0.087	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.7	171.5	-69.8	163.9	59.3	90.1	-2.2	115	P106 I108 K111 Y154 Q155 M156 H162 E790 N792	P106-R158 PolarHBondContact O-NH2 3.46Å; I108-R158 HydrophobicContact CD1-CB 4.33Å; K111-R158 VanDerWaalsContact CE-O 3.28Å; K111-R158 WeakPolarHBondContact CE-O 3.5Å; Y154-R158 VanDerWaalsContact CE1-CD 3.46Å; Y154-R158 VanDerWaalsContact O-CD 3.31Å; Y154-R158 WeakPolarHBondContact O-CD 3.36Å; Y154-R158 VanDerWaalsContact O-CG 3.29Å; Y154-R158 WeakPolarHBondContact O-CG 3.18Å; Y154-R158 PolarHBondContact O-N 3.47Å; Y154-R158 PolarHBondContact OH-NH1 2.92Å; Y154-R158 VanDerWaalsContact OH-NH1 3.11Å; Q155-R158 PolarHBondContact O-N 3.4Å; M156-R158 PolarHBondContact O-N 3.15Å; R158-H162 PolarHBondContact O-CE1 3.3Å; R158-H162 VanDerWaalsContact O-CE1 3.26Å; R158-H162 PolarHBondContact O-ND1 3.21Å; R158-E790 IonicContact NH1-OE1 3.21Å; R158-N792 WeakPolarHBondContact CA-O 3.49Å; R158-N792 HydrophobicContact CG-CB 4.41Å
159	T	98.9	Very high	98.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-27.7	-173	-52.8	0	0	0	0	113.6	K111 Q155 M156 T157 W161 H162 T164 Q166	K111-T159 HydrophobicContact CD-CG2 4.29Å; K111-T159 WeakPolarHBondContact CE-OG1 3.45Å; K111-T159 PolarHBondContact NZ-OG1 3.24Å; Q155-T159 VanDerWaalsContact O-CB 3.3Å; Q155-T159 WeakPolarHBondContact O-CB 3.3Å; Q155-T159 PolarHBondContact O-N 2.66Å; Q155-T159 PolarHBondContact O-OG1 3.38Å; M156-T159 PolarHBondContact O-N 2.88Å; T157-T159 VanDerWaalsContact C-N 3.32Å; T159-W161 PolarHBondContact O-N 3.21Å; T159-H162 WeakPolarHBondContact O-CB 3.39Å; T159-H162 PolarHBondContact O-N 3.4Å; T159-T164 HydrophobicContact CG2-CG2 3.9Å; T159-Q166 HydrophobicContact CG2-CB 3.85Å; T159-Q166 PolarHBondContact OG1-NE2 2.76Å
160	H	98.4	Very high	98.4	Very high	71 Å²	71	36.1 Å²	36.1	33%	0.329	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23	-177.6	-81.2	-51.9	0	0	0	115.5	M156 T794 W796 V801 E837	M156-H160 WeakPolarHBondContact CE-CE1 3.25Å; M156-H160 WeakPolarHBondContact CE-NE2 3.36Å; M156-H160 PolarHBondContact O-CD2 3.35Å; M156-H160 PolarHBondContact O-N 2.93Å; H160-T794 HydrophobicContact CB-CG2 3.9Å; H160-T794 WeakPolarHBondContact CB-OG1 3.48Å; H160-W796 HydrophobicContact CB-CZ2 4.37Å; H160-W796 AromaticContact CD2-CZ2 3.84Å; H160-V801 HydrophobicContact CB-CG2 4.16Å; H160-E837 IonicContact CD2-OE1 2.89Å; H160-E837 IonicContact CD2-OE2 3.83Å
161	W	98.3	Very high	98.4	Very high	65 Å²	65	37.2 Å²	37.2	25%	0.246	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.9	174.3	61.2	-94.7	0	0	0	114.8	I108 T159 N792 V801 N804	I108-W161 HydrophobicContact CG2-CH2 3.56Å; I108-W161 HydrophobicContact CG2-CZ2 3.87Å; T159-W161 PolarHBondContact O-N 3.21Å; W161-N792 HydrophobicContact CZ2-CB 4.1Å; W161-N792 PolarHBondContact NE1-O 2.62Å; W161-V801 HydrophobicContact CB-CG1 3.96Å; W161-N804 HydrophobicContact CB-CB 4.34Å; W161-N804 HydrophobicContact CD2-CB 3.64Å; W161-N804 HydrophobicContact CE3-CB 4.27Å; W161-N804 HydrophobicContact CG-CB 3.69Å; W161-N804 HydrophobicContact CZ2-CB 4.16Å
162	H	98.6	Very high	98.4	Very high	34 Å²	34	45.3 Å²	45.3	16%	0.157	23%	0.226	C	C	.	.	S	Bend	trans	-93.4	166	172.5	-65.5	74.4	0	0	0	111.4	R158 T159 T164	R158-H162 PolarHBondContact O-CE1 3.3Å; R158-H162 VanDerWaalsContact O-CE1 3.26Å; R158-H162 PolarHBondContact O-ND1 3.21Å; T159-H162 WeakPolarHBondContact O-CB 3.39Å; T159-H162 PolarHBondContact O-N 3.4Å; H162-T164 PolarHBondContact O-N 3.06Å
163	V	97.1	Very high	98.4	Very high	105 Å²	105	48.5 Å²	48.5	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-73.8	-3.7	170	-65.5	0	0	0	0	113.8	F115 P165	F115-V163 HydrophobicContact CD1-CG2 3.88Å; F115-V163 HydrophobicContact CD2-CB 4.44Å; F115-V163 HydrophobicContact CD2-CG2 3.72Å; F115-V163 HydrophobicContact CE1-CG2 3.88Å; F115-V163 HydrophobicContact CE2-CB 4.02Å; F115-V163 HydrophobicContact CE2-CG2 3.71Å; F115-V163 WeakPolarHBondContact CE2-O 3.48Å; F115-V163 HydrophobicContact CG-CG2 3.8Å; F115-V163 HydrophobicContact CZ-CB 4.12Å; F115-V163 HydrophobicContact CZ-CG2 3.79Å; V163-P165 WeakPolarHBondContact O-CD 3.4Å
164	T	96	Very high	98.4	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	23%	0.227	C	C	.	.			trans	-70.6	118.6	-176	-60	0	0	0	0	111.5	T159 H162 Q166	T159-T164 HydrophobicContact CG2-CG2 3.9Å; H162-T164 PolarHBondContact O-N 3.06Å; T164-Q166 PolarHBondContact O-N 3.42Å
165	P	96.8	Very high	98.3	Very high	34 Å²	34	48.6 Å²	48.6	22%	0.221	24%	0.241	C	C	.	.			trans	-74.9	110.3	176.9	31	-33.2	0	0	0	110	Y103 V163 Y167 T192 P193	Y103-P165 HydrophobicContact CD2-CG 3.73Å; Y103-P165 HydrophobicContact CE2-CG 3.75Å; Y103-P165 HydrophobicContact CG-CG 4.34Å; V163-P165 WeakPolarHBondContact O-CD 3.4Å; P165-Y167 HydrophobicContact CB-CE2 4.41Å; P165-T192 WeakPolarHBondContact O-CG2 3.46Å; P165-P193 HydrophobicContact CB-CG 4.09Å
166	Q	98.8	Very high	98.3	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.047	27%	0.266	C	S	.	.			trans	-142.3	142.4	-179.6	-167.2	-178	-89.8	0	0	110.7	Q155 M156 T159 T164 L190 Y191 T192	Q155-Q166 PolarHBondContact O-NE2 2.88Å; M156-Q166 WeakPolarHBondContact CE-O 3.34Å; M156-Q166 HydrophobicContact SD-CB 4.39Å; M156-Q166 HydrophobicContact SD-CG 3.9Å; M156-Q166 PolarHBondContact SD-NE2 3.26Å; M156-Q166 VanDerWaalsContact SD-NE2 3.4Å; T159-Q166 HydrophobicContact CG2-CB 3.85Å; T159-Q166 PolarHBondContact OG1-NE2 2.76Å; T164-Q166 PolarHBondContact O-N 3.42Å; Q166-L190 HydrophobicContact CG-CD1 3.92Å; Q166-L190 HydrophobicContact CG-CG 4.01Å; Q166-Y191 CarbonylContact C-O 3.54Å; Q166-Y191 WeakPolarHBondContact CA-O 3.37Å; Q166-T192 HydrophobicContact CB-CG2 4.11Å; Q166-T192 HydrophobicContact CG-CG2 3.9Å
167	Y	98.8	Very high	98.3	Very high	125 Å²	125	54.6 Å²	54.6	49%	0.49	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.5	-174.6	-57.1	-88.1	0	0	0	111.4	P165 Y191 P193	P165-Y167 HydrophobicContact CB-CE2 4.41Å; Y167-Y191 HydrophobicContact CD2-CD1 4.29Å; Y167-Y191 PolarHBondContact N-O 2.9Å; Y167-Y191 PolarHBondContact O-N 3.24Å; Y167-P193 HydrophobicContact CD2-CG 4.35Å; Y167-P193 HydrophobicContact CE2-CG 3.84Å
168	F	98.5	Very high	98.3	Very high	88 Å²	88	54.6 Å²	54.6	39%	0.386	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125	163.8	-177.5	-91.2	0	0	0	108.7	V149 M152 M156 A188	V149-F168 HydrophobicContact CG1-CE2 4.44Å; V149-F168 HydrophobicContact CG1-CZ 4.2Å; M152-F168 HydrophobicContact CB-CD2 3.84Å; M152-F168 HydrophobicContact CB-CE2 3.95Å; M152-F168 HydrophobicContact SD-CD2 4.4Å; M152-F168 HydrophobicContact SD-CE2 4.25Å; M156-F168 HydrophobicContact CG-CB 4.09Å; M156-F168 HydrophobicContact SD-CB 4.43Å; F168-A188 HydrophobicContact CD2-CB 4.47Å; F168-A188 HydrophobicContact CE1-CB 4.22Å; F168-A188 HydrophobicContact CE2-CB 3.58Å; F168-A188 HydrophobicContact CZ-CB 3.42Å; F168-A188 VanDerWaalsContact CZ-CB 3.42Å
169	I	98.8	Very high	98.2	Very high	20 Å²	20	56.1 Å²	56.1	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.8	-174.3	60.6	162.8	0	0	0	112.3	K173 V174 L177 A188 G189 Y191	I169-K173 HydrophobicContact CB-CB 4.17Å; I169-K173 HydrophobicContact CB-CG 4.22Å; I169-K173 HydrophobicContact CD1-CB 4.15Å; I169-K173 HydrophobicContact CD1-CG 3.92Å; I169-K173 HydrophobicContact CG2-CG 4.24Å; I169-V174 HydrophobicContact CD1-CG2 3.73Å; I169-V174 HydrophobicContact CG1-CG2 4.04Å; I169-L177 HydrophobicContact CD1-CD1 3.95Å; I169-A188 WeakPolarHBondContact O-CA 3.45Å; I169-G189 VanDerWaalsContact CG1-O 3.32Å; I169-G189 WeakPolarHBondContact CG1-O 3.36Å; I169-G189 PolarHBondContact N-O 2.65Å; I169-G189 PolarHBondContact O-N 3.36Å; I169-Y191 HydrophobicContact CD1-CG 4.32Å
170	G	98.6	Very high	98.2	Very high	38 Å²	38	57.4 Å²	57.4	39%	0.392	29%	0.29	S	S	.	.			trans	-79.8	165.9	175.1	0	0	0	0	0	113.4	E172 K173 V174	G170-E172 VanDerWaalsContact C-N 3.3Å; G170-E172 PolarHBondContact O-N 2.89Å; G170-K173 PolarHBondContact O-N 3.19Å; G170-V174 PolarHBondContact O-N 2.86Å
171	P	98.4	Very high	98.2	Very high	42 Å²	42	54.5 Å²	54.5	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-35.3	-174	-26.5	36.4	0	0	0	114.3	K173 V174 H175 I183 V186	P171-K173 VanDerWaalsContact C-N 3.27Å; P171-K173 PolarHBondContact O-N 3.17Å; P171-V174 WeakPolarHBondContact O-CB 3.25Å; P171-V174 PolarHBondContact O-N 3.03Å; P171-V174 VanDerWaalsContact O-N 3.09Å; P171-H175 PolarHBondContact O-N 3.1Å; P171-I183 HydrophobicContact CB-CD1 4.04Å; P171-I183 HydrophobicContact CB-CG1 3.9Å; P171-I183 WeakPolarHBondContact O-CD1 3.45Å; P171-V186 HydrophobicContact CB-CG1 4.25Å; P171-V186 HydrophobicContact CG-CG1 4.43Å; P171-V186 WeakPolarHBondContact CG-O 3.48Å
172	E	98.2	Very high	98.1	Very high	179 Å²	179	53.5 Å²	53.5	84%	0.836	28%	0.276	S	S	*	.	H	α-helix	trans	-53.8	-42.8	175	-63.8	177.9	-177.6	0	0	112.4	G170 H175 E176	G170-E172 VanDerWaalsContact C-N 3.3Å; G170-E172 PolarHBondContact O-N 2.89Å; E172-H175 PolarHBondContact O-N 3.18Å; E172-E176 PolarHBondContact O-N 2.61Å
173	K	98.4	Very high	98	Very high	72 Å²	72	54.3 Å²	54.3	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-77.5	-28.6	179.6	-173.5	54.3	169.2	-177.2	0	112.3	I169 G170 P171 E176 L177	I169-K173 HydrophobicContact CB-CB 4.17Å; I169-K173 HydrophobicContact CB-CG 4.22Å; I169-K173 HydrophobicContact CD1-CB 4.15Å; I169-K173 HydrophobicContact CD1-CG 3.92Å; I169-K173 HydrophobicContact CG2-CG 4.24Å; G170-K173 PolarHBondContact O-N 3.19Å; P171-K173 VanDerWaalsContact C-N 3.27Å; P171-K173 PolarHBondContact O-N 3.17Å; K173-E176 HydrophobicContact CD-CB 4.22Å; K173-E176 WeakPolarHBondContact CD-OE2 3.44Å; K173-E176 IonicContact NZ-OE1 2.74Å; K173-E176 PolarHBondContact NZ-OE1 3.03Å; K173-E176 IonicContact NZ-OE2 3.25Å; K173-E176 PolarHBondContact NZ-OE2 2.87Å; K173-L177 HydrophobicContact CD-CG 4.48Å; K173-L177 HydrophobicContact CG-CD1 4.34Å; K173-L177 WeakPolarHBondContact O-CD1 3.49Å; K173-L177 VanDerWaalsContact O-CG 3.28Å; K173-L177 WeakPolarHBondContact O-CG 3.5Å; K173-L177 PolarHBondContact O-N 3.27Å; K173-L177 VanDerWaalsContact O-N 3.17Å
174	V	98.6	Very high	97.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-45.2	169.7	178.9	0	0	0	0	109.7	V140 I169 G170 P171 L177 F178 L181 I183 V186	V140-V174 HydrophobicContact CG1-CG1 4.24Å; V140-V174 HydrophobicContact CG1-CG2 4.2Å; I169-V174 HydrophobicContact CD1-CG2 3.73Å; I169-V174 HydrophobicContact CG1-CG2 4.04Å; G170-V174 PolarHBondContact O-N 2.86Å; P171-V174 WeakPolarHBondContact O-CB 3.25Å; P171-V174 PolarHBondContact O-N 3.03Å; P171-V174 VanDerWaalsContact O-N 3.09Å; V174-L177 PolarHBondContact O-N 3.34Å; V174-F178 PolarHBondContact O-N 2.86Å; V174-L181 HydrophobicContact CG1-CD2 3.59Å; V174-I183 HydrophobicContact CB-CD1 4.29Å; V174-I183 HydrophobicContact CG1-CD1 4.32Å; V174-V186 HydrophobicContact CB-CG1 4.46Å; V174-V186 HydrophobicContact CG1-CG1 4.34Å; V174-V186 HydrophobicContact CG2-CG1 4.37Å
175	H	98.3	Very high	97.8	Very high	82 Å²	82	62.3 Å²	62.3	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-34.9	177.4	-168.4	65.7	0	0	0	113	P171 E172 L177 F178 P179 I183	P171-H175 PolarHBondContact O-N 3.1Å; E172-H175 PolarHBondContact O-N 3.18Å; H175-L177 VanDerWaalsContact C-N 3.3Å; H175-L177 PolarHBondContact O-N 3.45Å; H175-F178 CarbonylContact O-C 3.59Å; H175-F178 PolarHBondContact O-N 3.09Å; H175-P179 PolarHBondContact CE1-O 3.33Å; H175-P179 VanDerWaalsContact CE1-O 3.26Å; H175-P179 WeakPolarHBondContact O-CA 3.4Å; H175-I183 HydrophobicContact CB-CD1 4.08Å; H175-I183 HydrophobicContact CB-CG1 4.43Å
176	E	98.2	Very high	97.9	Very high	117 Å²	117	61.1 Å²	61.1	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-35.9	172.3	-165.2	-146.7	115.7	0	0	112.5	E172 K173	E172-E176 PolarHBondContact O-N 2.61Å; K173-E176 HydrophobicContact CD-CB 4.22Å; K173-E176 WeakPolarHBondContact CD-OE2 3.44Å; K173-E176 IonicContact NZ-OE1 2.74Å; K173-E176 PolarHBondContact NZ-OE1 3.03Å; K173-E176 IonicContact NZ-OE2 3.25Å; K173-E176 PolarHBondContact NZ-OE2 2.87Å
177	L	98.6	Very high	97.9	Very high	27 Å²	27	64.9 Å²	64.9	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-82.7	-25.3	178.5	-68.4	169.3	0	0	0	113.2	V140 I169 K173 V174 H175 Y191 A294	V140-L177 HydrophobicContact CG2-CD1 3.88Å; I169-L177 HydrophobicContact CD1-CD1 3.95Å; K173-L177 HydrophobicContact CD-CG 4.48Å; K173-L177 HydrophobicContact CG-CD1 4.34Å; K173-L177 WeakPolarHBondContact O-CD1 3.49Å; K173-L177 VanDerWaalsContact O-CG 3.28Å; K173-L177 WeakPolarHBondContact O-CG 3.5Å; K173-L177 PolarHBondContact O-N 3.27Å; K173-L177 VanDerWaalsContact O-N 3.17Å; V174-L177 PolarHBondContact O-N 3.34Å; H175-L177 VanDerWaalsContact C-N 3.3Å; H175-L177 PolarHBondContact O-N 3.45Å; L177-Y191 HydrophobicContact CD1-CD1 4.33Å; L177-Y191 HydrophobicContact CD1-CD2 3.65Å; L177-Y191 HydrophobicContact CD1-CE1 4.32Å; L177-Y191 HydrophobicContact CD1-CE2 3.64Å; L177-Y191 HydrophobicContact CD1-CG 4Å; L177-Y191 HydrophobicContact CD2-CE2 4.2Å; L177-A294 HydrophobicContact CB-CB 4.08Å; L177-A294 PolarHBondContact O-N 3.45Å
178	F	98.6	Very high	97.9	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.302	C	S	.	.			trans	-143	82.6	177.7	-156.4	-70.8	0	0	0	110.6	V174 H175 L180 L181 L293 A294 I296 L305 V361	V174-F178 PolarHBondContact O-N 2.86Å; H175-F178 CarbonylContact O-C 3.59Å; H175-F178 PolarHBondContact O-N 3.09Å; F178-L180 HydrophobicContact CD1-CB 4.23Å; F178-L180 HydrophobicContact CE1-CB 3.89Å; F178-L180 PolarHBondContact O-N 2.55Å; F178-L180 VanDerWaalsContact O-N 3.14Å; F178-L181 HydrophobicContact CB-CB 4.41Å; F178-L181 HydrophobicContact CD1-CB 3.72Å; F178-L181 HydrophobicContact CD1-CD1 4.31Å; F178-L181 HydrophobicContact CE1-CB 4.45Å; F178-L181 HydrophobicContact CG-CB 4.42Å; F178-L181 WeakPolarHBondContact O-CB 3.39Å; F178-L181 PolarHBondContact O-N 3.09Å; F178-L293 HydrophobicContact CB-CD2 4.48Å; F178-L293 HydrophobicContact CD1-CD2 4.13Å; F178-L293 HydrophobicContact CD2-CB 3.87Å; F178-L293 HydrophobicContact CD2-CD2 3.84Å; F178-L293 HydrophobicContact CD2-CG 4.29Å; F178-L293 HydrophobicContact CE1-CD1 4.46Å; F178-L293 HydrophobicContact CE1-CD2 4.37Å; F178-L293 HydrophobicContact CE2-CB 3.81Å; F178-L293 HydrophobicContact CE2-CD1 3.91Å; F178-L293 HydrophobicContact CE2-CD2 4.08Å; F178-L293 HydrophobicContact CE2-CG 4.15Å; F178-L293 HydrophobicContact CG-CD2 3.9Å; F178-L293 HydrophobicContact CZ-CD1 3.89Å; F178-L293 HydrophobicContact CZ-CD2 4.34Å; F178-A294 WeakPolarHBondContact CD2-O 3.32Å; F178-I296 HydrophobicContact CB-CG2 4.27Å; F178-I296 HydrophobicContact CD2-CD1 4.44Å; F178-I296 HydrophobicContact CD2-CG2 3.43Å; F178-I296 VanDerWaalsContact CD2-CG2 3.43Å; F178-I296 HydrophobicContact CE1-CD1 4.45Å; F178-I296 HydrophobicContact CE2-CD1 4.04Å; F178-I296 HydrophobicContact CE2-CG1 4.16Å; F178-I296 HydrophobicContact CE2-CG2 3.92Å; F178-I296 HydrophobicContact CG-CG2 3.97Å; F178-I296 HydrophobicContact CZ-CD1 4.05Å; F178-L305 HydrophobicContact CE2-CD2 3.66Å; F178-L305 HydrophobicContact CZ-CD2 3.51Å; F178-V361 HydrophobicContact CE1-CG1 4.11Å; F178-V361 HydrophobicContact CE1-CG2 3.96Å; F178-V361 HydrophobicContact CZ-CG1 4.38Å; F178-V361 HydrophobicContact CZ-CG2 4.22Å
179	P	98.3	Very high	97.9	Very high	56 Å²	56	54.8 Å²	54.8	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.2	-174.6	27.2	-36.3	0	0	0	114.6	H175 L289	H175-P179 PolarHBondContact CE1-O 3.33Å; H175-P179 VanDerWaalsContact CE1-O 3.26Å; H175-P179 WeakPolarHBondContact O-CA 3.4Å; P179-L289 HydrophobicContact CG-CD2 3.9Å
180	L	98.3	Very high	97.9	Very high	29 Å²	29	54.1 Å²	54.1	15%	0.152	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.4	176.5	-53.6	-177.8	0	0	0	113.1	F178 E285 V286 L289 L293 V363	F178-L180 HydrophobicContact CD1-CB 4.23Å; F178-L180 HydrophobicContact CE1-CB 3.89Å; F178-L180 PolarHBondContact O-N 2.55Å; F178-L180 VanDerWaalsContact O-N 3.14Å; L180-E285 HydrophobicContact CD1-CB 4.19Å; L180-E285 HydrophobicContact CD2-CB 3.97Å; L180-V286 HydrophobicContact CD1-CB 4.43Å; L180-V286 HydrophobicContact CD1-CG2 3.55Å; L180-L289 HydrophobicContact CD1-CD1 4.25Å; L180-L293 HydrophobicContact CD1-CD1 4.34Å; L180-V363 HydrophobicContact CD1-CG2 4.29Å
181	L	97.6	Very high	97.9	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	27%	0.269	C	S	.	.	S	Bend	trans	-86.3	136.7	-179.7	-162.6	74	0	0	0	110.6	I142 V174 F178 I183 V186 I296 M360 V361	I142-L181 HydrophobicContact CD1-CD1 3.98Å; I142-L181 HydrophobicContact CD1-CD2 3.94Å; V174-L181 HydrophobicContact CG1-CD2 3.59Å; F178-L181 HydrophobicContact CB-CB 4.41Å; F178-L181 HydrophobicContact CD1-CB 3.72Å; F178-L181 HydrophobicContact CD1-CD1 4.31Å; F178-L181 HydrophobicContact CE1-CB 4.45Å; F178-L181 HydrophobicContact CG-CB 4.42Å; F178-L181 WeakPolarHBondContact O-CB 3.39Å; F178-L181 PolarHBondContact O-N 3.09Å; L181-I183 HydrophobicContact CD2-CD1 4.3Å; L181-I183 PolarHBondContact O-N 2.97Å; L181-V186 HydrophobicContact CD2-CG2 4.05Å; L181-I296 HydrophobicContact CD1-CD1 3.73Å; L181-M360 HydrophobicContact CD1-CG 3.73Å; L181-M360 HydrophobicContact CD1-SD 3.79Å; L181-M360 HydrophobicContact CG-SD 4.06Å; L181-V361 HydrophobicContact CD1-CG2 3.97Å
182	N	97.6	Very high	97.9	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	26%	0.257	C	S	.	.			trans	-69.9	109.6	164	-177.6	-6.3	0	0	0	109.4	D184 D359 M360 P362	N182-D184 WeakPolarHBondContact OD1-CB 3.49Å; N182-D184 VanDerWaalsContact OD1-CG 3.26Å; N182-D184 PolarHBondContact OD1-N 3.36Å; N182-D184 PolarHBondContact OD1-OD2 3.27Å; N182-D359 WeakPolarHBondContact CB-O 3.39Å; N182-D359 PolarHBondContact ND2-O 3.44Å; N182-M360 WeakPolarHBondContact CB-O 3.5Å; N182-M360 PolarHBondContact N-O 2.74Å; N182-P362 HydrophobicContact CB-CG 4.21Å
183	I	96.7	Very high	97.9	Very high	51 Å²	51	45.4 Å²	45.4	26%	0.262	23%	0.228	S	C	.	.			trans	-87.3	-9.7	-173.4	-152.1	68.7	0	0	0	113.4	P171 V174 H175 L181 K185 V186	P171-I183 HydrophobicContact CB-CD1 4.04Å; P171-I183 HydrophobicContact CB-CG1 3.9Å; P171-I183 WeakPolarHBondContact O-CD1 3.45Å; V174-I183 HydrophobicContact CB-CD1 4.29Å; V174-I183 HydrophobicContact CG1-CD1 4.32Å; H175-I183 HydrophobicContact CB-CD1 4.08Å; H175-I183 HydrophobicContact CB-CG1 4.43Å; L181-I183 HydrophobicContact CD2-CD1 4.3Å; L181-I183 PolarHBondContact O-N 2.97Å; I183-K185 PolarHBondContact O-N 3.2Å; I183-V186 HydrophobicContact CD1-CB 3.75Å; I183-V186 HydrophobicContact CD1-CG1 3.96Å; I183-V186 HydrophobicContact CD1-CG2 3.95Å; I183-V186 HydrophobicContact CG1-CB 4.22Å; I183-V186 PolarHBondContact O-N 3.28Å
184	D	94.9	Very high	97.9	Very high	142 Å²	142	43.3 Å²	43.3	76%	0.759	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.2	-168.8	-70	-6.5	0	0	0	114.8	N182	N182-D184 WeakPolarHBondContact OD1-CB 3.49Å; N182-D184 VanDerWaalsContact OD1-CG 3.26Å; N182-D184 PolarHBondContact OD1-N 3.36Å; N182-D184 PolarHBondContact OD1-OD2 3.27Å
185	K	93.1	Very high	97.9	Very high	140 Å²	140	43.2 Å²	43.2	61%	0.609	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-2.8	-179	-64.1	177.9	-176.8	169.8	0	113.6	S144 I183 L187	S144-K185 WeakPolarHBondContact CA-O 3.47Å; I183-K185 PolarHBondContact O-N 3.2Å; K185-L187 PolarHBondContact O-N 3.43Å
186	V	98.1	Very high	97.9	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	21%	0.208	C	C	.	.			trans	-81.8	118.1	-173.9	178.1	0	0	0	0	109.9	I142 P171 V174 L181 I183	I142-V186 HydrophobicContact CG2-CG1 4.26Å; I142-V186 HydrophobicContact CG2-CG2 3.9Å; P171-V186 HydrophobicContact CB-CG1 4.25Å; P171-V186 HydrophobicContact CG-CG1 4.43Å; P171-V186 WeakPolarHBondContact CG-O 3.48Å; V174-V186 HydrophobicContact CB-CG1 4.46Å; V174-V186 HydrophobicContact CG1-CG1 4.34Å; V174-V186 HydrophobicContact CG2-CG1 4.37Å; L181-V186 HydrophobicContact CD2-CG2 4.05Å; I183-V186 HydrophobicContact CD1-CB 3.75Å; I183-V186 HydrophobicContact CD1-CG1 3.96Å; I183-V186 HydrophobicContact CD1-CG2 3.95Å; I183-V186 HydrophobicContact CG1-CB 4.22Å; I183-V186 PolarHBondContact O-N 3.28Å
187	L	98.7	Very high	97.9	Very high	90 Å²	90	34.3 Å²	34.3	47%	0.471	18%	0.184	S	C	.	.			trans	-94.9	-36.4	178.8	-54	179.3	0	0	0	112	A143 V149 K185	A143-L187 WeakPolarHBondContact O-CB 3.32Å; A143-L187 PolarHBondContact O-N 3.34Å; V149-L187 HydrophobicContact CG2-CB 3.72Å; V149-L187 HydrophobicContact CG2-CD1 4.14Å; K185-L187 PolarHBondContact O-N 3.43Å
188	A	98.7	Very high	98	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	167.7	177.9	0	0	0	0	0	111.5	A143 V149 M152 F168 I169	A143-A188 HydrophobicContact CB-CB 4.25Å; A143-A188 PolarHBondContact N-O 3.39Å; A143-A188 PolarHBondContact O-N 2.96Å; V149-A188 HydrophobicContact CG2-CB 4.23Å; M152-A188 HydrophobicContact SD-CB 4.16Å; F168-A188 HydrophobicContact CD2-CB 4.47Å; F168-A188 HydrophobicContact CE1-CB 4.22Å; F168-A188 HydrophobicContact CE2-CB 3.58Å; F168-A188 HydrophobicContact CZ-CB 3.42Å; F168-A188 VanDerWaalsContact CZ-CB 3.42Å; I169-A188 WeakPolarHBondContact O-CA 3.45Å
189	G	98.8	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	165.9	0	0	0	0	0	112	R141 I169	R141-G189 CarbonylContact O-C 3.57Å; R141-G189 VanDerWaalsContact O-CA 3.29Å; R141-G189 WeakPolarHBondContact O-CA 3.37Å; I169-G189 VanDerWaalsContact CG1-O 3.32Å; I169-G189 WeakPolarHBondContact CG1-O 3.36Å; I169-G189 PolarHBondContact N-O 2.65Å; I169-G189 PolarHBondContact O-N 3.36Å
190	L	98.8	Very high	98	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.4	166.5	-168.5	69.6	0	0	0	107.8	Y104 V140 R141 M152 Q155 M156 Q166	Y104-L190 HydrophobicContact CD2-CD2 3.77Å; Y104-L190 HydrophobicContact CE2-CD2 3.54Å; V140-L190 WeakPolarHBondContact CA-O 3.38Å; R141-L190 HydrophobicContact CB-CB 4.31Å; R141-L190 PolarHBondContact N-O 2.82Å; R141-L190 PolarHBondContact O-N 3.4Å; M152-L190 HydrophobicContact CB-CD1 4.34Å; M152-L190 HydrophobicContact CE-CB 3.83Å; M152-L190 HydrophobicContact CG-CB 3.91Å; M152-L190 HydrophobicContact CG-CD2 4.45Å; M152-L190 HydrophobicContact SD-CB 3.88Å; Q155-L190 HydrophobicContact CB-CD2 4.22Å; M156-L190 HydrophobicContact CG-CD1 3.85Å; M156-L190 HydrophobicContact SD-CD1 3.48Å; M156-L190 WeakPolarHBondContact SD-CD1 3.19Å; Q166-L190 HydrophobicContact CG-CD1 3.92Å; Q166-L190 HydrophobicContact CG-CG 4.01Å
191	Y	98.9	Very high	98	Very high	38 Å²	38	36.9 Å²	36.9	15%	0.149	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.3	-168.3	172.5	-121.1	0	0	0	112.5	S139 V140 Q166 Y167 I169 L177 P193	S139-Y191 CarbonylContact O-C 3.57Å; S139-Y191 VanDerWaalsContact O-CA 3.31Å; S139-Y191 WeakPolarHBondContact O-CA 3.22Å; S139-Y191 WeakPolarHBondContact O-CD2 3.49Å; V140-Y191 HydrophobicContact CG2-CD2 3.68Å; V140-Y191 HydrophobicContact CG2-CE2 4.47Å; V140-Y191 HydrophobicContact CG2-CG 4.42Å; Q166-Y191 CarbonylContact C-O 3.54Å; Q166-Y191 WeakPolarHBondContact CA-O 3.37Å; Y167-Y191 HydrophobicContact CD2-CD1 4.29Å; Y167-Y191 PolarHBondContact N-O 2.9Å; Y167-Y191 PolarHBondContact O-N 3.24Å; I169-Y191 HydrophobicContact CD1-CG 4.32Å; L177-Y191 HydrophobicContact CD1-CD1 4.33Å; L177-Y191 HydrophobicContact CD1-CD2 3.65Å; L177-Y191 HydrophobicContact CD1-CE1 4.32Å; L177-Y191 HydrophobicContact CD1-CE2 3.64Å; L177-Y191 HydrophobicContact CD1-CG 4Å; L177-Y191 HydrophobicContact CD2-CE2 4.2Å; Y191-P193 HydrophobicContact CE1-CB 3.84Å; Y191-P193 HydrophobicContact CE1-CG 4.28Å; Y191-P193 WeakPolarHBondContact OH-CB 3.38Å
192	T	98.7	Very high	98.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.8	172.3	47.7	0	0	0	0	109.5	T102 G138 S139 P165 Q166 D195	T102-T192 PolarHBondContact OG1-OG1 2.77Å; G138-T192 CarbonylContact C-O 3.59Å; G138-T192 WeakPolarHBondContact CA-O 3.32Å; S139-T192 PolarHBondContact N-O 2.88Å; S139-T192 PolarHBondContact O-N 2.7Å; S139-T192 PolarHBondContact O-OG1 2.94Å; P165-T192 WeakPolarHBondContact O-CG2 3.46Å; Q166-T192 HydrophobicContact CB-CG2 4.11Å; Q166-T192 HydrophobicContact CG-CG2 3.9Å; T192-D195 VanDerWaalsContact CB-OD2 3.23Å; T192-D195 WeakPolarHBondContact CB-OD2 3.29Å; T192-D195 VanDerWaalsContact O-OD1 3.09Å; T192-D195 PolarHBondContact OG1-OD2 3.37Å
193	P	98.6	Very high	98.1	Very high	35 Å²	35	36 Å²	36	23%	0.227	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	154.7	178.5	31.7	-35.4	0	0	0	112.4	Y103 P165 Y167 Y191 D195	Y103-P193 WeakPolarHBondContact CE2-O 3.19Å; P165-P193 HydrophobicContact CB-CG 4.09Å; Y167-P193 HydrophobicContact CD2-CG 4.35Å; Y167-P193 HydrophobicContact CE2-CG 3.84Å; Y191-P193 HydrophobicContact CE1-CB 3.84Å; Y191-P193 HydrophobicContact CE1-CG 4.28Å; Y191-P193 WeakPolarHBondContact OH-CB 3.38Å; P193-D195 VanDerWaalsContact C-N 3.28Å; P193-D195 PolarHBondContact O-N 2.83Å
194	G	97.7	Very high	98.2	Very high	28 Å²	28	33.6 Å²	33.6	29%	0.289	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	14.2	173.3	0	0	0	0	0	114.5	Q136	Q136-G194 PolarHBondContact NE2-O 3.3Å
195	D	98.8	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.			trans	-118.9	-177.2	172	76.5	10.8	0	0	0	109.9	T101 T102 Y103 I118 Q136 G138 S139 T192 P193	T101-D195 WeakPolarHBondContact O-CB 3.24Å; T102-D195 WeakPolarHBondContact CA-OD2 3.43Å; T102-D195 WeakPolarHBondContact CB-OD2 3.48Å; T102-D195 PolarHBondContact OG1-OD2 2.62Å; Y103-D195 HydrophobicContact CD2-CB 3.74Å; Y103-D195 HydrophobicContact CE2-CB 4.22Å; Y103-D195 HydrophobicContact CG-CB 4.31Å; Y103-D195 PolarHBondContact N-OD2 2.55Å; I118-D195 HydrophobicContact CD1-CB 3.82Å; Q136-D195 CarbonylContact C-O 3.59Å; Q136-D195 VanDerWaalsContact C-O 3.24Å; Q136-D195 VanDerWaalsContact CA-O 3.26Å; Q136-D195 WeakPolarHBondContact CA-O 3.4Å; G138-D195 VanDerWaalsContact C-OD1 3.24Å; G138-D195 VanDerWaalsContact CA-O 3.24Å; G138-D195 WeakPolarHBondContact CA-O 3.38Å; G138-D195 WeakPolarHBondContact CA-OD1 3.38Å; G138-D195 PolarHBondContact N-O 3.2Å; S139-D195 WeakPolarHBondContact CB-OD1 3.28Å; S139-D195 PolarHBondContact N-OD1 2.83Å; S139-D195 PolarHBondContact OG-OD1 3.32Å; T192-D195 VanDerWaalsContact CB-OD2 3.23Å; T192-D195 WeakPolarHBondContact CB-OD2 3.29Å; T192-D195 VanDerWaalsContact O-OD1 3.09Å; T192-D195 PolarHBondContact OG1-OD2 3.37Å; P193-D195 VanDerWaalsContact C-N 3.28Å; P193-D195 PolarHBondContact O-N 2.83Å
196	G	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-102.6	177.7	0	0	0	0	0	113.6	T101 H135	T101-G196 PolarHBondContact N-O 3.4Å; T101-G196 PolarHBondContact O-N 2.8Å; H135-G196 WeakPolarHBondContact O-CA 3.36Å
197	H	98.9	Very high	98.7	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.051	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.7	179.5	69.2	102.8	0	0	0	112.7	G99 T101 F134 H135 E292 R306	G99-H197 CarbonylContact O-C 3.57Å; G99-H197 VanDerWaalsContact O-CA 3.25Å; G99-H197 WeakPolarHBondContact O-CA 3.38Å; T101-H197 WeakPolarHBondContact OG1-CA 3.3Å; T101-H197 PolarHBondContact OG1-N 2.77Å; F134-H197 WeakPolarHBondContact CD2-O 3.27Å; H135-H197 VanDerWaalsContact CB-NE2 3.27Å; H135-H197 WeakPolarHBondContact CB-NE2 3.16Å; H135-H197 AromaticContact CD2-CE1 3.78Å; H135-H197 AromaticContact CG-CE1 3.65Å; H135-H197 AromaticContact CG-NE2 3.61Å; H135-H197 PolarHBondContact N-O 3.31Å; H135-H197 PolarHBondContact O-N 2.69Å; H135-H197 VanDerWaalsContact O-N 3.08Å; H197-E292 IonicContact CD2-OE1 3.8Å; H197-E292 IonicContact CE1-OE1 3.77Å; H197-E292 IonicContact NE2-OE1 2.75Å; H197-E292 PolarHBondContact NE2-OE1 2.93Å; H197-R306 PolarHBondContact CE1-NH1 2.91Å; H197-R306 PolarHBondContact ND1-NE 2.86Å
198	I	98.8	Very high	98.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.1	-176.5	-163.4	165	0	0	0	110.8	G99 T101 Y121 V132 G133 F134 P200 L203 V406	G99-I198 WeakPolarHBondContact CA-O 3.41Å; G99-I198 PolarHBondContact O-N 3.44Å; T101-I198 HydrophobicContact CG2-CB 4.45Å; T101-I198 HydrophobicContact CG2-CG2 3.6Å; Y121-I198 HydrophobicContact CD2-CD1 3.84Å; Y121-I198 HydrophobicContact CG-CD1 3.87Å; V132-I198 HydrophobicContact CB-CD1 4.06Å; V132-I198 HydrophobicContact CB-CG1 4.38Å; V132-I198 HydrophobicContact CG2-CD1 3.97Å; V132-I198 HydrophobicContact CG2-CG1 4.49Å; V132-I198 VanDerWaalsContact O-CG1 3.24Å; V132-I198 WeakPolarHBondContact O-CG1 3.28Å; G133-I198 WeakPolarHBondContact O-CA 3.29Å; F134-I198 HydrophobicContact CB-CB 4.44Å; F134-I198 HydrophobicContact CB-CD1 3.79Å; F134-I198 HydrophobicContact CB-CG1 3.88Å; F134-I198 HydrophobicContact CD2-CB 3.96Å; F134-I198 HydrophobicContact CD2-CD1 4.25Å; F134-I198 HydrophobicContact CD2-CG1 4.3Å; F134-I198 HydrophobicContact CG-CD1 4.04Å; F134-I198 HydrophobicContact CG-CG1 4.35Å; I198-P200 WeakPolarHBondContact O-CD 3.17Å; I198-L203 HydrophobicContact CD1-CB 4.2Å; I198-L203 HydrophobicContact CD1-CD1 4.12Å; I198-L203 HydrophobicContact CD1-CD2 4.31Å; I198-L203 HydrophobicContact CD1-CG 4.43Å; I198-L203 HydrophobicContact CG1-CB 4.37Å; I198-L203 HydrophobicContact CG2-CD2 4.06Å; I198-V406 HydrophobicContact CG2-CG1 3.55Å
199	D	98.7	Very high	98.7	Very high	58 Å²	58	17.9 Å²	17.9	31%	0.31	10%	0.099	S	C	.	.			trans	-67.7	114.3	168.9	172.3	21.2	0	0	0	110.3	G133 Y201 S202 L203	G133-D199 PolarHBondContact O-N 2.81Å; D199-Y201 PolarHBondContact O-N 2.87Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.31Å; D199-Y201 PolarHBondContact OD1-N 3.2Å; D199-S202 WeakPolarHBondContact OD2-CB 3.3Å; D199-S202 PolarHBondContact OD2-N 3.36Å; D199-S202 PolarHBondContact OD2-OG 3.43Å; D199-L203 WeakPolarHBondContact O-CB 3.26Å; D199-L203 PolarHBondContact O-N 2.8Å
200	P	98.5	Very high	98.7	Very high	8 Å²	8	17.9 Å²	17.9	5%	0.052	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-27.2	179	-17.9	31.6	0	0	0	113.3	T94 A97 I198 T204 V406	T94-P200 HydrophobicContact CG2-CB 3.95Å; T94-P200 WeakPolarHBondContact O-CB 3.32Å; A97-P200 HydrophobicContact CB-CB 4.5Å; A97-P200 HydrophobicContact CB-CG 3.92Å; A97-P200 WeakPolarHBondContact O-CG 3.44Å; I198-P200 WeakPolarHBondContact O-CD 3.17Å; P200-T204 WeakPolarHBondContact O-CB 3.41Å; P200-T204 PolarHBondContact O-N 3.21Å; P200-T204 PolarHBondContact O-OG1 2.8Å; P200-V406 HydrophobicContact CB-CG2 4.12Å; P200-V406 HydrophobicContact CG-CG2 4.1Å
201	Y	98.8	Very high	98.7	Very high	100 Å²	100	17.6 Å²	17.6	39%	0.392	10%	0.098	S	C	.	.	H	α-helix	trans	-71.2	-58.1	178.6	-178.8	-93.4	0	0	0	110.4	T90 D199 L203 T204 M205	T90-Y201 HydrophobicContact CG2-CD2 3.91Å; T90-Y201 HydrophobicContact CG2-CE2 4.5Å; D199-Y201 PolarHBondContact O-N 2.87Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.31Å; D199-Y201 PolarHBondContact OD1-N 3.2Å; Y201-L203 VanDerWaalsContact C-N 3.34Å; Y201-L203 PolarHBondContact O-N 3.09Å; Y201-T204 PolarHBondContact O-N 3.47Å; Y201-M205 HydrophobicContact CD1-CG 4.09Å; Y201-M205 HydrophobicContact CD2-CE 4.39Å; Y201-M205 HydrophobicContact CE1-CG 3.65Å; Y201-M205 HydrophobicContact CE1-SD 4.47Å; Y201-M205 HydrophobicContact CE2-CE 4.06Å; Y201-M205 HydrophobicContact CE2-CG 4.43Å; Y201-M205 HydrophobicContact CE2-SD 4.37Å; Y201-M205 WeakPolarHBondContact O-CG 3.44Å; Y201-M205 PolarHBondContact O-N 3Å
202	S	98.8	Very high	98.7	Very high	35 Å²	35	20.7 Å²	20.7	25%	0.245	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-38	179.6	-59	0	0	0	0	112.5	A131 D199 T204 M205 A206	A131-S202 WeakPolarHBondContact O-CB 2.92Å; D199-S202 WeakPolarHBondContact OD2-CB 3.3Å; D199-S202 PolarHBondContact OD2-N 3.36Å; D199-S202 PolarHBondContact OD2-OG 3.43Å; S202-T204 VanDerWaalsContact C-N 3.33Å; S202-T204 PolarHBondContact O-N 2.99Å; S202-M205 PolarHBondContact O-N 3.13Å; S202-A206 WeakPolarHBondContact O-CB 3.26Å; S202-A206 PolarHBondContact O-N 3.28Å
203	L	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53.3	-48.7	168.9	171	60.6	0	0	0	112	Y121 L124 I198 D199 Y201 A206 L207 V406	Y121-L203 HydrophobicContact CD1-CD1 3.54Å; Y121-L203 HydrophobicContact CE1-CD1 3.57Å; Y121-L203 HydrophobicContact CE1-CD2 4.13Å; Y121-L203 HydrophobicContact CE1-CG 4.47Å; Y121-L203 HydrophobicContact CE2-CD2 4.08Å; Y121-L203 HydrophobicContact CG-CD1 4.15Å; L124-L203 HydrophobicContact CD1-CD1 3.54Å; I198-L203 HydrophobicContact CD1-CB 4.2Å; I198-L203 HydrophobicContact CD1-CD1 4.12Å; I198-L203 HydrophobicContact CD1-CD2 4.31Å; I198-L203 HydrophobicContact CD1-CG 4.43Å; I198-L203 HydrophobicContact CG1-CB 4.37Å; I198-L203 HydrophobicContact CG2-CD2 4.06Å; D199-L203 WeakPolarHBondContact O-CB 3.26Å; D199-L203 PolarHBondContact O-N 2.8Å; Y201-L203 VanDerWaalsContact C-N 3.34Å; Y201-L203 PolarHBondContact O-N 3.09Å; L203-A206 PolarHBondContact O-N 2.87Å; L203-L207 HydrophobicContact CD1-CD1 3.86Å; L203-L207 HydrophobicContact CD1-CG 4.17Å; L203-L207 HydrophobicContact CG-CD1 4.06Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.44Å; L203-L207 PolarHBondContact O-N 3.46Å; L203-V406 HydrophobicContact CD2-CG1 4.05Å
204	T	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.8	-34.1	-178.5	-55.4	0	0	0	0	111.9	C64 A67 T90 T94 P200 Y201 S202 A208	C64-T204 WeakPolarHBondContact CB-OG1 3.44Å; A67-T204 HydrophobicContact CB-CG2 3.91Å; T90-T204 VanDerWaalsContact CG2-CB 3.5Å; T90-T204 HydrophobicContact CG2-CG2 3.61Å; T94-T204 WeakPolarHBondContact CG2-OG1 3.08Å; P200-T204 WeakPolarHBondContact O-CB 3.41Å; P200-T204 PolarHBondContact O-N 3.21Å; P200-T204 PolarHBondContact O-OG1 2.8Å; Y201-T204 PolarHBondContact O-N 3.47Å; S202-T204 VanDerWaalsContact C-N 3.33Å; S202-T204 PolarHBondContact O-N 2.99Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.22Å; T204-A208 PolarHBondContact O-N 3.42Å
205	M	98.8	Very high	98.7	Very high	33 Å²	33	28.7 Å²	28.7	16%	0.163	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-44.4	174.9	-66.3	-45.8	100.8	0	0	111.6	L89 T90 Q130 Y201 S202 A208 A209	L89-M205 HydrophobicContact CB-CE 3.58Å; L89-M205 HydrophobicContact CD1-CE 4.02Å; L89-M205 HydrophobicContact CD1-SD 4.35Å; L89-M205 HydrophobicContact CG-CE 4.47Å; T90-M205 HydrophobicContact CG2-CE 3.7Å; Q130-M205 PolarHBondContact OE1-O 3.15Å; Y201-M205 HydrophobicContact CD1-CG 4.09Å; Y201-M205 HydrophobicContact CD2-CE 4.39Å; Y201-M205 HydrophobicContact CE1-CG 3.65Å; Y201-M205 HydrophobicContact CE1-SD 4.47Å; Y201-M205 HydrophobicContact CE2-CE 4.06Å; Y201-M205 HydrophobicContact CE2-CG 4.43Å; Y201-M205 HydrophobicContact CE2-SD 4.37Å; Y201-M205 WeakPolarHBondContact O-CG 3.44Å; Y201-M205 PolarHBondContact O-N 3Å; S202-M205 PolarHBondContact O-N 3.13Å; M205-A208 CarbonylContact O-C 3.51Å; M205-A208 PolarHBondContact O-N 3.18Å; M205-A209 WeakPolarHBondContact O-CB 3.48Å; M205-A209 PolarHBondContact O-N 2.77Å
206	A	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-47.9	176.3	0	0	0	0	0	111.6	L124 T128 Q130 V132 S202 L203 A208 A209 G210	L124-A206 HydrophobicContact CB-CB 4.49Å; T128-A206 WeakPolarHBondContact CG2-O 3.09Å; Q130-A206 HydrophobicContact CB-CB 4.11Å; V132-A206 HydrophobicContact CG1-CB 3.55Å; S202-A206 WeakPolarHBondContact O-CB 3.26Å; S202-A206 PolarHBondContact O-N 3.28Å; L203-A206 PolarHBondContact O-N 2.87Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 2.88Å; A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 2.73Å; A206-A209 VanDerWaalsContact O-N 3.12Å; A206-G210 PolarHBondContact O-N 2.96Å
207	L	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-45.6	174.1	-72	168.8	0	0	0	111.8	A67 Y71 L120 L124 L203 A209 G210 A211	A67-L207 HydrophobicContact CB-CB 4.11Å; Y71-L207 HydrophobicContact CD1-CD2 3.96Å; Y71-L207 HydrophobicContact CE1-CD2 4.43Å; Y71-L207 HydrophobicContact CG-CD2 4.04Å; L120-L207 HydrophobicContact CD2-CD2 3.99Å; L124-L207 HydrophobicContact CD1-CD2 3.86Å; L124-L207 HydrophobicContact CD1-CG 4.03Å; L124-L207 HydrophobicContact CD2-CD2 3.98Å; L203-L207 HydrophobicContact CD1-CD1 3.86Å; L203-L207 HydrophobicContact CD1-CG 4.17Å; L203-L207 HydrophobicContact CG-CD1 4.06Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.44Å; L203-L207 PolarHBondContact O-N 3.46Å; L207-A209 VanDerWaalsContact C-N 3.32Å; L207-A209 PolarHBondContact O-N 3.38Å; L207-G210 PolarHBondContact O-N 2.79Å; L207-A211 WeakPolarHBondContact O-CB 3.36Å; L207-A211 PolarHBondContact O-N 3.12Å
208	A	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-29.3	177.1	0	0	0	0	0	113.3	L89 T204 M205 A206 R212 I218	L89-A208 HydrophobicContact CD1-CB 3.5Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.22Å; T204-A208 PolarHBondContact O-N 3.42Å; M205-A208 CarbonylContact O-C 3.51Å; M205-A208 PolarHBondContact O-N 3.18Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 2.88Å; A208-R212 VanDerWaalsContact O-CD 3.25Å; A208-R212 WeakPolarHBondContact O-CD 3.46Å; A208-R212 WeakPolarHBondContact O-CG 3.35Å; A208-R212 PolarHBondContact O-N 3.24Å; A208-I218 HydrophobicContact CB-CD1 3.86Å
209	A	98.8	Very high	98.6	Very high	19 Å²	19	30.9 Å²	30.9	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-70.4	-47.9	173	0	0	0	0	0	111.4	M205 A206 L207 A211 R212 M213	M205-A209 WeakPolarHBondContact O-CB 3.48Å; M205-A209 PolarHBondContact O-N 2.77Å; A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 2.73Å; A206-A209 VanDerWaalsContact O-N 3.12Å; L207-A209 VanDerWaalsContact C-N 3.32Å; L207-A209 PolarHBondContact O-N 3.38Å; A209-A211 PolarHBondContact O-N 3.05Å; A209-R212 PolarHBondContact O-N 2.95Å; A209-M213 PolarHBondContact O-N 2.99Å
210	G	98.8	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-42.3	173.9	0	0	0	0	0	112.6	A206 L207 R212 M213 Y214	A206-G210 PolarHBondContact O-N 2.96Å; L207-G210 PolarHBondContact O-N 2.79Å; G210-R212 VanDerWaalsContact C-N 3.33Å; G210-R212 PolarHBondContact O-N 2.78Å; G210-M213 WeakPolarHBondContact O-CB 3.43Å; G210-M213 PolarHBondContact O-N 2.82Å; G210-M213 VanDerWaalsContact O-N 3.15Å; G210-Y214 WeakPolarHBondContact O-CD2 3.39Å; G210-Y214 PolarHBondContact O-N 2.78Å
211	A	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-46.2	174.1	0	0	0	0	0	112.2	A70 L207 A209 Y214 G215 A216 I218	A70-A211 HydrophobicContact CB-CB 4.08Å; L207-A211 WeakPolarHBondContact O-CB 3.36Å; L207-A211 PolarHBondContact O-N 3.12Å; A209-A211 PolarHBondContact O-N 3.05Å; A211-Y214 PolarHBondContact O-N 2.93Å; A211-G215 PolarHBondContact O-N 2.98Å; A211-A216 HydrophobicContact CB-CB 4.06Å; A211-A216 VanDerWaalsContact O-CB 3.24Å; A211-A216 WeakPolarHBondContact O-CB 3.44Å; A211-A216 PolarHBondContact O-N 3.24Å; A211-I218 HydrophobicContact CB-CD1 4.37Å
212	R	98.5	Very high	98.3	Very high	102 Å²	102	28.6 Å²	28.6	39%	0.385	15%	0.153	S	C	.	.	H	α-helix	trans	-66.4	-38.9	176	-68.5	162.3	-171.2	148.4	-0.9	112.1	A208 A209 G210 Y214 G215 I218	A208-R212 VanDerWaalsContact O-CD 3.25Å; A208-R212 WeakPolarHBondContact O-CD 3.46Å; A208-R212 WeakPolarHBondContact O-CG 3.35Å; A208-R212 PolarHBondContact O-N 3.24Å; A209-R212 PolarHBondContact O-N 2.95Å; G210-R212 VanDerWaalsContact C-N 3.33Å; G210-R212 PolarHBondContact O-N 2.78Å; R212-Y214 VanDerWaalsContact C-N 3.28Å; R212-Y214 PolarHBondContact O-N 3.41Å; R212-G215 WeakPolarHBondContact O-CA 3.31Å; R212-G215 PolarHBondContact O-N 3.11Å; R212-I218 HydrophobicContact CG-CD1 4.15Å; R212-I218 HydrophobicContact CG-CG1 4.35Å
213	M	98.3	Very high	98.3	Very high	113 Å²	113	28.8 Å²	28.8	56%	0.557	15%	0.153	S	C	*	.	H	α-helix	trans	-58.5	-39.5	175.8	-169.5	-168.7	-59.7	0	0	111.9	A209 G210 G215	A209-M213 PolarHBondContact O-N 2.99Å; G210-M213 WeakPolarHBondContact O-CB 3.43Å; G210-M213 PolarHBondContact O-N 2.82Å; G210-M213 VanDerWaalsContact O-N 3.15Å; M213-G215 VanDerWaalsContact C-N 3.3Å; M213-G215 PolarHBondContact O-N 3.17Å
214	Y	98.6	Very high	98.3	Very high	84 Å²	84	29.7 Å²	29.7	33%	0.329	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.6	174.8	-63.9	-61	0	0	0	114.7	Y71 K75 E127 G210 A211 R212	Y71-Y214 HydrophobicContact CE2-CE2 4.3Å; K75-Y214 HydrophobicContact CB-CD2 3.58Å; K75-Y214 HydrophobicContact CB-CE2 3.7Å; K75-Y214 HydrophobicContact CB-CG 4.1Å; K75-Y214 HydrophobicContact CD-CD2 4.36Å; K75-Y214 HydrophobicContact CD-CE2 3.61Å; K75-Y214 HydrophobicContact CG-CD2 4Å; K75-Y214 HydrophobicContact CG-CE1 4.37Å; K75-Y214 HydrophobicContact CG-CE2 3.57Å; E127-Y214 VanDerWaalsContact OE1-CE2 3.26Å; E127-Y214 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y214 PolarHBondContact OE1-OH 3.28Å; E127-Y214 VanDerWaalsContact OE1-OH 3.04Å; G210-Y214 WeakPolarHBondContact O-CD2 3.39Å; G210-Y214 PolarHBondContact O-N 2.78Å; A211-Y214 PolarHBondContact O-N 2.93Å; R212-Y214 VanDerWaalsContact C-N 3.28Å; R212-Y214 PolarHBondContact O-N 3.41Å
215	G	97.8	Very high	98.3	Very high	38 Å²	38	33.5 Å²	33.5	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	2.9	169.7	0	0	0	0	0	116.4	A211 R212 M213 Q217	A211-G215 PolarHBondContact O-N 2.98Å; R212-G215 WeakPolarHBondContact O-CA 3.31Å; R212-G215 PolarHBondContact O-N 3.11Å; M213-G215 VanDerWaalsContact C-N 3.3Å; M213-G215 PolarHBondContact O-N 3.17Å; G215-Q217 PolarHBondContact O-N 3.2Å; G215-Q217 PolarHBondContact O-NE2 2.81Å
216	A	98.5	Very high	98.3	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	18%	0.18	C	C	.	.			trans	-62.3	136.7	173.3	0	0	0	0	0	110.6	A74 V81 A211	A74-A216 HydrophobicContact CB-CB 4.03Å; V81-A216 HydrophobicContact CB-CB 4.15Å; V81-A216 HydrophobicContact CG1-CB 4.19Å; V81-A216 WeakPolarHBondContact O-CA 3.26Å; A211-A216 HydrophobicContact CB-CB 4.06Å; A211-A216 VanDerWaalsContact O-CB 3.24Å; A211-A216 WeakPolarHBondContact O-CB 3.44Å; A211-A216 PolarHBondContact O-N 3.24Å
217	Q	98.4	Very high	98.3	Very high	52 Å²	52	32.7 Å²	32.7	24%	0.243	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.2	171.7	-57.7	-49.9	-62.8	0	0	109.7	K52 V81 V82 L83 G215 Y219	K52-Q217 HydrophobicContact CD-CG 4.07Å; V81-Q217 PolarHBondContact O-N 2.88Å; V82-Q217 CarbonylContact C-O 3.15Å; V82-Q217 WeakPolarHBondContact CA-O 3.49Å; V82-Q217 HydrophobicContact CG2-CB 4.36Å; L83-Q217 PolarHBondContact N-O 2.86Å; G215-Q217 PolarHBondContact O-N 3.2Å; G215-Q217 PolarHBondContact O-NE2 2.81Å; Q217-Y219 HydrophobicContact CB-CD2 4.48Å; Q217-Y219 HydrophobicContact CB-CE2 3.79Å
218	I	98.4	Very high	98.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116	176.7	-56.9	-173.3	0	0	0	106.4	K49 L83 L89 A208 A211 R212	K49-I218 PolarHBondContact NZ-O 2.78Å; L83-I218 HydrophobicContact CB-CG1 4.19Å; L83-I218 HydrophobicContact CD2-CG2 4.12Å; L89-I218 HydrophobicContact CD2-CG2 4.1Å; A208-I218 HydrophobicContact CB-CD1 3.86Å; A211-I218 HydrophobicContact CB-CD1 4.37Å; R212-I218 HydrophobicContact CG-CD1 4.15Å; R212-I218 HydrophobicContact CG-CG1 4.35Å
219	Y	98.4	Very high	98.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.5	178.6	-57.4	-72.8	0	0	0	109.7	L47 K49 R50 W51 K52 V82 L83 L84 E85 Q217	L47-Y219 HydrophobicContact CB-CD1 4.46Å; L47-Y219 HydrophobicContact CD1-CD1 3.94Å; L47-Y219 HydrophobicContact CD1-CG 4.43Å; K49-Y219 HydrophobicContact CB-CE1 4.09Å; R50-Y219 WeakPolarHBondContact O-CE1 3.48Å; R50-Y219 PolarHBondContact O-OH 3.42Å; W51-Y219 HydrophobicContact CE3-CD1 4.12Å; W51-Y219 HydrophobicContact CE3-CD2 4.16Å; W51-Y219 HydrophobicContact CE3-CE1 4.18Å; W51-Y219 HydrophobicContact CE3-CE2 4.23Å; W51-Y219 HydrophobicContact CE3-CG 4.11Å; W51-Y219 HydrophobicContact CZ3-CD1 4.28Å; W51-Y219 AromaticContact CZ3-CD2 3.91Å; W51-Y219 HydrophobicContact CZ3-CD2 3.91Å; W51-Y219 HydrophobicContact CZ3-CE2 4.4Å; W51-Y219 AromaticContact CZ3-CG 3.85Å; W51-Y219 HydrophobicContact CZ3-CG 3.85Å; K52-Y219 PolarHBondContact N-OH 3.49Å; V82-Y219 HydrophobicContact CG1-CD2 3.63Å; V82-Y219 HydrophobicContact CG1-CE2 3.7Å; L83-Y219 PolarHBondContact O-N 3.24Å; L84-Y219 HydrophobicContact CD2-CD2 4Å; E85-Y219 PolarHBondContact N-O 2.61Å; E85-Y219 VanDerWaalsContact N-O 3.16Å; Q217-Y219 HydrophobicContact CB-CD2 4.48Å; Q217-Y219 HydrophobicContact CB-CE2 3.79Å
220	N	95.4	Very high	98	Very high	49 Å²	49	40.8 Å²	40.8	26%	0.262	23%	0.227	S	C	.	.	S	Bend	trans	-155.4	136.2	177.3	71.8	-89.2	0	0	0	108.4	E85 S87	E85-N220 HydrophobicContact CB-CB 3.95Å; E85-N220 HydrophobicContact CG-CB 4.08Å; S87-N220 WeakPolarHBondContact O-CB 3.4Å; S87-N220 PolarHBondContact O-ND2 2.87Å
221	P	96.4	Very high	97.7	Very high	69 Å²	69	46 Å²	46	45%	0.448	27%	0.271	S	S	.	.	S	Bend	cis	-73.8	121.5	-7.4	31.1	-33.8	0	0	0	111.5	S87 H241	S87-P221 WeakPolarHBondContact O-CA 3.29Å; P221-H241 PolarHBondContact O-NE2 3.27Å
222	A	97.9	Very high	97.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.291	C	S	.	.			trans	-143.4	70.8	176.5	0	0	0	0	0	109.7	L47 W51 L84 E85	L47-A222 HydrophobicContact CD2-CB 4.44Å; W51-A222 HydrophobicContact CH2-CB 4.5Å; W51-A222 HydrophobicContact CZ3-CB 4.33Å; L84-A222 HydrophobicContact CD2-CB 4.1Å; E85-A222 CarbonylContact O-C 3.58Å; E85-A222 PolarHBondContact O-N 2.66Å
223	P	98.3	Very high	97.1	Very high	39 Å²	39	45.1 Å²	45.1	25%	0.253	28%	0.275	S	S	.	.			trans	-63	139.6	178	25.8	-33	0	0	0	111.2	K86 T239 P240	K86-P223 HydrophobicContact CB-CB 4.3Å; K86-P223 HydrophobicContact CG-CB 4.35Å; P223-T239 WeakPolarHBondContact O-CA 3.29Å; P223-T239 VanDerWaalsContact O-CB 3.32Å; P223-T239 WeakPolarHBondContact O-CB 3.4Å; P223-P240 HydrophobicContact CG-CG 3.99Å; P223-P240 VanDerWaalsContact O-CD 3.24Å; P223-P240 WeakPolarHBondContact O-CD 3.34Å
224	V	98.8	Very high	97	Very high	19 Å²	19	43 Å²	43	12%	0.115	26%	0.263	C	S	.	.			trans	-75.1	132.1	165.4	177.1	0	0	0	0	108.7	I60 L84 L227 V237 Q238 M263	I60-V224 HydrophobicContact CD1-CG2 4.23Å; I60-V224 HydrophobicContact CG1-CG2 4.12Å; I60-V224 HydrophobicContact CG2-CB 4.28Å; I60-V224 HydrophobicContact CG2-CG2 3.9Å; L84-V224 HydrophobicContact CB-CG2 4.21Å; L84-V224 HydrophobicContact CD1-CG2 3.69Å; V224-L227 HydrophobicContact CG1-CD2 3.74Å; V224-L227 HydrophobicContact CG1-CG 3.91Å; V224-V237 HydrophobicContact CB-CG1 4.42Å; V224-V237 HydrophobicContact CG1-CG1 3.91Å; V224-V237 HydrophobicContact CG2-CG1 3.66Å; V224-Q238 WeakPolarHBondContact CA-O 3.36Å; V224-M263 HydrophobicContact CG1-SD 4Å; V224-M263 WeakPolarHBondContact O-CE 3.5Å
225	T	98.3	Very high	97.1	Very high	81 Å²	81	39.1 Å²	39.1	50%	0.497	25%	0.247	S	C	.	.			trans	-118.9	-9.4	-178.8	55	0	0	0	0	113.5	Q238 P240	T225-Q238 PolarHBondContact N-O 3.28Å; T225-Q238 PolarHBondContact OG1-O 2.78Å; T225-P240 HydrophobicContact CG2-CG 4.4Å
226	G	98.4	Very high	97.1	Very high	11 Å²	11	39 Å²	39	11%	0.113	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	152.4	179.1	0	0	0	0	0	111.6	Q238	G226-Q238 PolarHBondContact O-N 2.87Å
227	L	98.8	Very high	97.1	Very high	4 Å²	4	39 Å²	39	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	94.9	-175.4	-71.4	178.8	0	0	0	110.3	I60 V224 W235 V237 I249 V260 M263 I264	I60-L227 HydrophobicContact CD1-CD1 4Å; I60-L227 HydrophobicContact CD1-CD2 4.02Å; V224-L227 HydrophobicContact CG1-CD2 3.74Å; V224-L227 HydrophobicContact CG1-CG 3.91Å; L227-W235 HydrophobicContact CB-CE3 4.35Å; L227-W235 HydrophobicContact CB-CZ3 4.34Å; L227-V237 HydrophobicContact CD2-CB 4.22Å; L227-V237 HydrophobicContact CD2-CG1 3.89Å; L227-V237 HydrophobicContact CD2-CG2 3.88Å; L227-I249 HydrophobicContact CD1-CD1 3.99Å; L227-I249 HydrophobicContact CD2-CD1 3.76Å; L227-I249 HydrophobicContact CG-CD1 4.33Å; L227-V260 HydrophobicContact CD1-CG1 3.99Å; L227-M263 HydrophobicContact CB-CB 4.21Å; L227-M263 HydrophobicContact CD1-CB 4.25Å; L227-M263 HydrophobicContact CD1-SD 4.21Å; L227-M263 HydrophobicContact CG-CB 4.33Å; L227-M263 HydrophobicContact CG-SD 4.16Å; L227-I264 HydrophobicContact CB-CG2 3.65Å; L227-I264 HydrophobicContact CD1-CG2 4.13Å
228	D	98	Very high	97.1	Very high	79 Å²	79	40.1 Å²	40.1	42%	0.422	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.1	-178.1	-57.1	-70.6	0	0	0	111.3	W235 D236 Q238	D228-W235 WeakPolarHBondContact O-CA 3.49Å; D228-D236 HydrophobicContact CB-CB 4.27Å; D228-D236 PolarHBondContact N-O 2.94Å; D228-D236 PolarHBondContact O-N 3.07Å; D228-Q238 PolarHBondContact OD2-NE2 3.41Å
229	P	96.9	Very high	97.1	Very high	84 Å²	84	40.6 Å²	40.6	55%	0.545	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.4	173.6	28.8	-31.1	0	0	0	110.9	W235	P229-W235 HydrophobicContact CB-CD2 4.42Å; P229-W235 HydrophobicContact CB-CE3 4.04Å; P229-W235 HydrophobicContact CB-CH2 3.74Å; P229-W235 HydrophobicContact CB-CZ2 4.09Å; P229-W235 HydrophobicContact CB-CZ3 3.69Å; P229-W235 HydrophobicContact CG-CH2 4.22Å; P229-W235 HydrophobicContact CG-CZ3 4.04Å
230	T	96.1	Very high	97	Very high	26 Å²	26	44.8 Å²	44.8	16%	0.16	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-95.8	157.4	180	71.5	0	0	0	0	112	D232 G233 K234	T230-D232 WeakPolarHBondContact CB-OD1 3.47Å; T230-D232 PolarHBondContact O-N 2.59Å; T230-D232 PolarHBondContact OG1-OD1 2.85Å; T230-G233 WeakPolarHBondContact O-CA 3.33Å; T230-G233 PolarHBondContact O-N 3.29Å; T230-K234 PolarHBondContact N-O 3.44Å; T230-K234 WeakPolarHBondContact OG1-CA 3.34Å; T230-K234 WeakPolarHBondContact OG1-CB 3.25Å; T230-K234 PolarHBondContact OG1-N 3.18Å; T230-K234 PolarHBondContact OG1-O 3.02Å; T230-K234 VanDerWaalsContact OG1-O 3.13Å
231	A	92.1	Very high	97.1	Very high	111 Å²	111	44.7 Å²	44.7	92%	0.917	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.4	-178.8	0	0	0	0	0	114.3	G233	A231-G233 VanDerWaalsContact C-N 3.26Å; A231-G233 PolarHBondContact O-N 2.97Å
232	D	91.4	Very high	97.1	Very high	78 Å²	78	42.9 Å²	42.9	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.8	172.4	60.9	-37.6	0	0	0	113.4	T230 K234 R394	T230-D232 WeakPolarHBondContact CB-OD1 3.47Å; T230-D232 PolarHBondContact O-N 2.59Å; T230-D232 PolarHBondContact OG1-OD1 2.85Å; D232-K234 WeakPolarHBondContact OD2-CD 3.46Å; D232-K234 WeakPolarHBondContact OD2-CE 3.2Å; D232-K234 WeakPolarHBondContact OD2-CG 3.46Å; D232-K234 IonicContact OD2-NZ 2.9Å; D232-K234 PolarHBondContact OD2-NZ 3.37Å; D232-R394 VanDerWaalsContact C-NH1 3.34Å; D232-R394 PolarHBondContact O-NH1 3.19Å; D232-R394 PolarHBondContact O-NH2 3Å
233	G	93.1	Very high	97.1	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	90.1	25.3	-178.9	0	0	0	0	0	113.7	T230 A231 R394 N395	T230-G233 WeakPolarHBondContact O-CA 3.33Å; T230-G233 PolarHBondContact O-N 3.29Å; A231-G233 VanDerWaalsContact C-N 3.26Å; A231-G233 PolarHBondContact O-N 2.97Å; G233-R394 VanDerWaalsContact CA-NH1 3.28Å; G233-N395 PolarHBondContact O-ND2 2.9Å
234	K	97.9	Very high	97.1	Very high	68 Å²	68	44 Å²	44	30%	0.296	27%	0.271	S	S	.	.			trans	-100.9	-176.1	170.8	-62	-165.3	-173.4	115.2	0	109.2	T230 D232 A246 N247	T230-K234 PolarHBondContact N-O 3.44Å; T230-K234 WeakPolarHBondContact OG1-CA 3.34Å; T230-K234 WeakPolarHBondContact OG1-CB 3.25Å; T230-K234 PolarHBondContact OG1-N 3.18Å; T230-K234 PolarHBondContact OG1-O 3.02Å; T230-K234 VanDerWaalsContact OG1-O 3.13Å; D232-K234 WeakPolarHBondContact OD2-CD 3.46Å; D232-K234 WeakPolarHBondContact OD2-CE 3.2Å; D232-K234 WeakPolarHBondContact OD2-CG 3.46Å; D232-K234 IonicContact OD2-NZ 2.9Å; D232-K234 PolarHBondContact OD2-NZ 3.37Å; K234-A246 WeakPolarHBondContact CA-O 3.41Å; K234-A246 VanDerWaalsContact CB-O 3.27Å; K234-A246 WeakPolarHBondContact CB-O 3.38Å; K234-N247 WeakPolarHBondContact CE-OD1 3.39Å
235	W	98.8	Very high	97.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.2	-176.5	-67.6	86.2	0	0	0	111.1	L227 D228 P229 V237 R245 A246 I249 I264 F393 R394	L227-W235 HydrophobicContact CB-CE3 4.35Å; L227-W235 HydrophobicContact CB-CZ3 4.34Å; D228-W235 WeakPolarHBondContact O-CA 3.49Å; P229-W235 HydrophobicContact CB-CD2 4.42Å; P229-W235 HydrophobicContact CB-CE3 4.04Å; P229-W235 HydrophobicContact CB-CH2 3.74Å; P229-W235 HydrophobicContact CB-CZ2 4.09Å; P229-W235 HydrophobicContact CB-CZ3 3.69Å; P229-W235 HydrophobicContact CG-CH2 4.22Å; P229-W235 HydrophobicContact CG-CZ3 4.04Å; W235-V237 HydrophobicContact CB-CG2 4.4Å; W235-R245 CarbonylContact O-C 3.55Å; W235-R245 WeakPolarHBondContact O-CA 3.1Å; W235-A246 PolarHBondContact N-O 2.7Å; W235-A246 PolarHBondContact O-N 3.02Å; W235-I249 HydrophobicContact CB-CD1 4.28Å; W235-I249 HydrophobicContact CB-CG2 3.64Å; W235-I249 HydrophobicContact CD2-CD1 3.42Å; W235-I249 VanDerWaalsContact CD2-CD1 3.42Å; W235-I249 HydrophobicContact CD2-CG1 3.91Å; W235-I249 HydrophobicContact CE3-CD1 3.54Å; W235-I249 HydrophobicContact CE3-CG1 4.5Å; W235-I249 HydrophobicContact CG-CB 4.49Å; W235-I249 HydrophobicContact CG-CD1 3.76Å; W235-I249 HydrophobicContact CG-CG1 3.89Å; W235-I249 HydrophobicContact CG-CG2 3.83Å; W235-I249 HydrophobicContact CH2-CD1 4.46Å; W235-I249 HydrophobicContact CZ2-CD1 4.4Å; W235-I249 HydrophobicContact CZ3-CD1 4.07Å; W235-I264 HydrophobicContact CH2-CB 4.44Å; W235-I264 HydrophobicContact CH2-CD1 4.41Å; W235-I264 HydrophobicContact CH2-CG2 3.85Å; W235-I264 HydrophobicContact CZ3-CB 4.48Å; W235-I264 HydrophobicContact CZ3-CG2 3.51Å; W235-F393 HydrophobicContact CH2-CD1 4.32Å; W235-F393 HydrophobicContact CZ2-CB 4.42Å; W235-R394 PolarHBondContact NE1-O 2.83Å
236	D	98.7	Very high	97.1	Very high	37 Å²	37	43.7 Å²	43.7	20%	0.198	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.6	161.3	-76.9	-51.4	0	0	0	108.3	D228 T243 R245	D228-D236 HydrophobicContact CB-CB 4.27Å; D228-D236 PolarHBondContact N-O 2.94Å; D228-D236 PolarHBondContact O-N 3.07Å; D236-T243 HydrophobicContact CB-CG2 3.72Å; D236-R245 VanDerWaalsContact CG-NE 3.32Å; D236-R245 IonicContact OD1-CZ 3.19Å; D236-R245 IonicContact OD1-NE 2.72Å; D236-R245 PolarHBondContact OD1-NE 2.88Å; D236-R245 IonicContact OD1-NH2 2.82Å; D236-R245 PolarHBondContact OD1-NH2 2.79Å; D236-R245 IonicContact OD2-CZ 3.28Å; D236-R245 VanDerWaalsContact OD2-CZ 3.28Å; D236-R245 IonicContact OD2-NE 3.43Å; D236-R245 PolarHBondContact OD2-NE 2.79Å; D236-R245 IonicContact OD2-NH2 2.63Å; D236-R245 PolarHBondContact OD2-NH2 3.49Å
237	V	98.8	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	108.7	179.9	-176.6	0	0	0	0	108.9	V58 L84 V224 L227 W235 T243 I244 A246 I249	V58-V237 HydrophobicContact CB-CG2 4.38Å; V58-V237 HydrophobicContact CG1-CG1 4.29Å; V58-V237 HydrophobicContact CG1-CG2 4.34Å; V58-V237 HydrophobicContact CG2-CG2 4.41Å; L84-V237 HydrophobicContact CD1-CG1 3.76Å; V224-V237 HydrophobicContact CB-CG1 4.42Å; V224-V237 HydrophobicContact CG1-CG1 3.91Å; V224-V237 HydrophobicContact CG2-CG1 3.66Å; L227-V237 HydrophobicContact CD2-CB 4.22Å; L227-V237 HydrophobicContact CD2-CG1 3.89Å; L227-V237 HydrophobicContact CD2-CG2 3.88Å; W235-V237 HydrophobicContact CB-CG2 4.4Å; V237-T243 CarbonylContact O-C 3.5Å; V237-T243 VanDerWaalsContact O-CA 3.28Å; V237-T243 WeakPolarHBondContact O-CA 3.26Å; V237-I244 PolarHBondContact N-O 3.1Å; V237-I244 PolarHBondContact O-N 3.18Å; V237-A246 HydrophobicContact CG2-CB 4.36Å; V237-I249 HydrophobicContact CG2-CG2 3.6Å
238	Q	98.6	Very high	97.1	Very high	76 Å²	76	47.9 Å²	47.9	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.3	-177.5	-52.8	-174.5	14.1	0	0	111.6	V224 T225 G226 D228	V224-Q238 WeakPolarHBondContact CA-O 3.36Å; T225-Q238 PolarHBondContact N-O 3.28Å; T225-Q238 PolarHBondContact OG1-O 2.78Å; G226-Q238 PolarHBondContact O-N 2.87Å; D228-Q238 PolarHBondContact OD2-NE2 3.41Å
239	T	98.3	Very high	97.1	Very high	12 Å²	12	44.1 Å²	44.1	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.5	171.4	77.1	0	0	0	0	110.6	W51 L84 P223 H241 G242	W51-T239 HydrophobicContact CH2-CG2 4Å; W51-T239 VanDerWaalsContact CH2-OG1 3.29Å; W51-T239 WeakPolarHBondContact CH2-OG1 3.37Å; W51-T239 HydrophobicContact CZ2-CG2 4.29Å; W51-T239 WeakPolarHBondContact CZ2-OG1 3.13Å; L84-T239 HydrophobicContact CD1-CG2 3.86Å; P223-T239 WeakPolarHBondContact O-CA 3.29Å; P223-T239 VanDerWaalsContact O-CB 3.32Å; P223-T239 WeakPolarHBondContact O-CB 3.4Å; T239-H241 PolarHBondContact O-N 3.39Å; T239-H241 VanDerWaalsContact O-N 3.07Å; T239-H241 PolarHBondContact OG1-N 3.11Å; T239-G242 PolarHBondContact N-O 3.28Å; T239-G242 PolarHBondContact O-N 2.69Å; T239-G242 VanDerWaalsContact O-N 3.1Å; T239-G242 PolarHBondContact OG1-N 3.05Å; T239-G242 PolarHBondContact OG1-O 2.69Å
240	P	96.9	Very high	97.2	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.5	172.6	-26.2	36.1	0	0	0	115.5	P223 T225	P223-P240 HydrophobicContact CG-CG 3.99Å; P223-P240 VanDerWaalsContact O-CD 3.24Å; P223-P240 WeakPolarHBondContact O-CD 3.34Å; T225-P240 HydrophobicContact CG2-CG 4.4Å
241	H	96	Very high	97.4	Very high	47 Å²	47	38.9 Å²	38.9	22%	0.218	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.3	-179.9	-54.2	-73.8	0	0	0	113.4	L47 W51 P221 T239	L47-H241 HydrophobicContact CD1-CB 4.1Å; W51-H241 HydrophobicContact CD2-CB 4.39Å; W51-H241 HydrophobicContact CE3-CB 4.13Å; W51-H241 HydrophobicContact CH2-CB 4.1Å; W51-H241 HydrophobicContact CZ2-CB 4.35Å; W51-H241 HydrophobicContact CZ3-CB 3.99Å; P221-H241 PolarHBondContact O-NE2 3.27Å; T239-H241 PolarHBondContact O-N 3.39Å; T239-H241 VanDerWaalsContact O-N 3.07Å; T239-H241 PolarHBondContact OG1-N 3.11Å
242	G	95.9	Very high	97.7	Very high	30 Å²	30	34 Å²	34	31%	0.309	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126	-178.4	-174.7	0	0	0	0	0	113.1	T239	T239-G242 PolarHBondContact N-O 3.28Å; T239-G242 PolarHBondContact O-N 2.69Å; T239-G242 VanDerWaalsContact O-N 3.1Å; T239-G242 PolarHBondContact OG1-N 3.05Å; T239-G242 PolarHBondContact OG1-O 2.69Å
243	T	98.1	Very high	98	Very high	64 Å²	64	30.9 Å²	30.9	39%	0.393	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.6	-178	-56.6	0	0	0	0	110.9	D236 V237	D236-T243 HydrophobicContact CB-CG2 3.72Å; V237-T243 CarbonylContact O-C 3.5Å; V237-T243 VanDerWaalsContact O-CA 3.28Å; V237-T243 WeakPolarHBondContact O-CA 3.26Å
244	I	98.6	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.8	170.8	-48	-169.1	0	0	0	109.5	W51 K52 A55 V58 V82 L84 V237 A246	W51-I244 HydrophobicContact CH2-CD1 3.94Å; W51-I244 HydrophobicContact CH2-CG1 4.27Å; W51-I244 HydrophobicContact CZ2-CD1 3.6Å; W51-I244 HydrophobicContact CZ2-CG1 3.46Å; W51-I244 VanDerWaalsContact CZ2-CG1 3.46Å; K52-I244 WeakPolarHBondContact O-CG1 3.27Å; A55-I244 HydrophobicContact CB-CG2 3.68Å; V58-I244 HydrophobicContact CG2-CB 4.45Å; V58-I244 HydrophobicContact CG2-CG2 4.02Å; V82-I244 HydrophobicContact CG1-CD1 3.94Å; L84-I244 HydrophobicContact CD1-CD1 4.32Å; L84-I244 HydrophobicContact CD2-CD1 4.12Å; V237-I244 PolarHBondContact N-O 3.1Å; V237-I244 PolarHBondContact O-N 3.18Å; I244-A246 PolarHBondContact O-N 3.34Å
245	R	98.7	Very high	98.3	Very high	92 Å²	92	29 Å²	29	35%	0.347	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.6	168.5	177.7	60.7	57.4	95.1	10.4	109.7	D53 T54 A55 W235 D236	D53-R245 PolarHBondContact O-N 3.49Å; T54-R245 WeakPolarHBondContact CA-O 3.47Å; T54-R245 HydrophobicContact CG2-CB 4.34Å; A55-R245 PolarHBondContact N-O 2.94Å; W235-R245 CarbonylContact O-C 3.55Å; W235-R245 WeakPolarHBondContact O-CA 3.1Å; D236-R245 VanDerWaalsContact CG-NE 3.32Å; D236-R245 IonicContact OD1-CZ 3.19Å; D236-R245 IonicContact OD1-NE 2.72Å; D236-R245 PolarHBondContact OD1-NE 2.88Å; D236-R245 IonicContact OD1-NH2 2.82Å; D236-R245 PolarHBondContact OD1-NH2 2.79Å; D236-R245 IonicContact OD2-CZ 3.28Å; D236-R245 VanDerWaalsContact OD2-CZ 3.28Å; D236-R245 IonicContact OD2-NE 3.43Å; D236-R245 PolarHBondContact OD2-NE 2.79Å; D236-R245 IonicContact OD2-NH2 2.63Å; D236-R245 PolarHBondContact OD2-NH2 3.49Å
246	A	98.8	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.4	-178.4	0	0	0	0	0	112.1	A55 V58 K234 W235 V237 I244 R248 I249	A55-A246 HydrophobicContact CB-CB 4.43Å; A55-A246 WeakPolarHBondContact O-CA 3.06Å; V58-A246 HydrophobicContact CB-CB 4.14Å; V58-A246 HydrophobicContact CG2-CB 3.62Å; K234-A246 WeakPolarHBondContact CA-O 3.41Å; K234-A246 VanDerWaalsContact CB-O 3.27Å; K234-A246 WeakPolarHBondContact CB-O 3.38Å; W235-A246 PolarHBondContact N-O 2.7Å; W235-A246 PolarHBondContact O-N 3.02Å; V237-A246 HydrophobicContact CG2-CB 4.36Å; I244-A246 PolarHBondContact O-N 3.34Å; A246-R248 VanDerWaalsContact C-N 3.33Å; A246-I249 HydrophobicContact CB-CG2 3.88Å
247	N	98.6	Very high	98.3	Very high	60 Å²	60	28.2 Å²	28.2	32%	0.321	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-39.7	169.7	-61.9	-35.8	0	0	0	111	A55 D56 K234 N395	A55-N247 PolarHBondContact O-N 3.31Å; A55-N247 VanDerWaalsContact O-N 3.15Å; D56-N247 WeakPolarHBondContact O-CA 3.45Å; D56-N247 VanDerWaalsContact O-CB 3.26Å; D56-N247 WeakPolarHBondContact O-CB 3.34Å; D56-N247 PolarHBondContact O-N 2.88Å; D56-N247 PolarHBondContact OD2-ND2 3.34Å; K234-N247 WeakPolarHBondContact CE-OD1 3.39Å; N247-N395 WeakPolarHBondContact O-CB 3.12Å; N247-N395 PolarHBondContact O-ND2 2.87Å
248	R	98.8	Very high	98.2	Very high	43 Å²	43	29.1 Å²	29.1	16%	0.162	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.8	173.6	74.7	-170	61.3	66.9	-0.9	112.6	D56 T57 V58 A246 N395	D56-R248 PolarHBondContact O-N 2.81Å; D56-R248 IonicContact OD1-CZ 3.4Å; D56-R248 IonicContact OD1-NH1 2.77Å; D56-R248 PolarHBondContact OD1-NH1 3.38Å; D56-R248 IonicContact OD2-CZ 2.72Å; D56-R248 IonicContact OD2-NH1 3.77Å; D56-R248 PolarHBondContact OD2-NH1 2.75Å; D56-R248 IonicContact OD2-NH2 2.7Å; T57-R248 WeakPolarHBondContact CA-O 3.5Å; T57-R248 HydrophobicContact CG2-CG 3.89Å; T57-R248 WeakPolarHBondContact OG1-CG 3.15Å; T57-R248 PolarHBondContact OG1-NH1 2.9Å; V58-R248 PolarHBondContact N-O 3.2Å; A246-R248 VanDerWaalsContact C-N 3.33Å; R248-N395 WeakPolarHBondContact CA-O 3.44Å; R248-N395 HydrophobicContact CB-CB 3.7Å; R248-N395 WeakPolarHBondContact CB-O 3.11Å
249	I	98.9	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.4	177.5	64.7	175.7	0	0	0	111.2	V58 L227 W235 V237 A246 N395 Y396 W397	V58-I249 HydrophobicContact CB-CG2 4.22Å; V58-I249 CarbonylContact O-C 3.54Å; V58-I249 WeakPolarHBondContact O-CA 3.39Å; L227-I249 HydrophobicContact CD1-CD1 3.99Å; L227-I249 HydrophobicContact CD2-CD1 3.76Å; L227-I249 HydrophobicContact CG-CD1 4.33Å; W235-I249 HydrophobicContact CB-CD1 4.28Å; W235-I249 HydrophobicContact CB-CG2 3.64Å; W235-I249 HydrophobicContact CD2-CD1 3.42Å; W235-I249 VanDerWaalsContact CD2-CD1 3.42Å; W235-I249 HydrophobicContact CD2-CG1 3.91Å; W235-I249 HydrophobicContact CE3-CD1 3.54Å; W235-I249 HydrophobicContact CE3-CG1 4.5Å; W235-I249 HydrophobicContact CG-CB 4.49Å; W235-I249 HydrophobicContact CG-CD1 3.76Å; W235-I249 HydrophobicContact CG-CG1 3.89Å; W235-I249 HydrophobicContact CG-CG2 3.83Å; W235-I249 HydrophobicContact CH2-CD1 4.46Å; W235-I249 HydrophobicContact CZ2-CD1 4.4Å; W235-I249 HydrophobicContact CZ3-CD1 4.07Å; V237-I249 HydrophobicContact CG2-CG2 3.6Å; A246-I249 HydrophobicContact CB-CG2 3.88Å; I249-N395 PolarHBondContact N-O 2.87Å; I249-Y396 HydrophobicContact CD1-CD2 3.74Å; I249-Y396 HydrophobicContact CD1-CE2 4.22Å; I249-Y396 HydrophobicContact CG1-CD2 3.77Å; I249-Y396 HydrophobicContact CG1-CE2 4.48Å; I249-W397 PolarHBondContact O-N 3.36Å
250	V	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114.8	179.5	-161.6	0	0	0	0	109.9	T57 V58 I59 I60 L69 T252 W397 I420	T57-V250 HydrophobicContact CG2-CG2 3.85Å; V58-V250 PolarHBondContact O-N 3.46Å; I59-V250 HydrophobicContact CG1-CB 4.47Å; I59-V250 HydrophobicContact CG1-CG2 4.4Å; I60-V250 PolarHBondContact N-O 2.89Å; L69-V250 HydrophobicContact CD2-CB 4.1Å; L69-V250 HydrophobicContact CD2-CG1 3.68Å; L69-V250 HydrophobicContact CD2-CG2 4.02Å; V250-T252 HydrophobicContact CB-CG2 4.44Å; V250-T252 HydrophobicContact CG1-CG2 3.87Å; V250-T252 PolarHBondContact O-N 3.36Å; V250-W397 WeakPolarHBondContact CA-O 3.19Å; V250-W397 HydrophobicContact CB-CB 4.29Å; V250-W397 HydrophobicContact CG1-CB 3.91Å; V250-W397 HydrophobicContact CG2-CB 4.08Å; V250-I420 HydrophobicContact CG2-CD1 4.38Å
251	N	98.9	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.4	171.1	-177.3	-1.1	0	0	0	109.5	A253 A257 V260 Y396 W397 A399 I400	N251-A253 WeakPolarHBondContact OD1-CB 3.49Å; N251-A253 PolarHBondContact OD1-N 3.4Å; N251-A257 PolarHBondContact ND2-O 3.25Å; N251-V260 HydrophobicContact CB-CG1 4.14Å; N251-Y396 HydrophobicContact CB-CE2 4.32Å; N251-Y396 PolarHBondContact ND2-OH 3.24Å; N251-W397 PolarHBondContact N-O 2.81Å; N251-A399 PolarHBondContact O-N 3.03Å; N251-I400 HydrophobicContact CB-CG2 4.3Å; N251-I400 VanDerWaalsContact O-CG2 3.24Å; N251-I400 WeakPolarHBondContact O-CG2 3.23Å
252	T	98.9	Very high	98.3	Very high	10 Å²	10	25.4 Å²	25.4	6%	0.061	14%	0.136	C	C	.	.			trans	-128.6	20	175.2	70.2	0	0	0	0	112	I59 I60 G61 G66 V250 G254 A399	I59-T252 HydrophobicContact CG2-CG2 3.9Å; I60-T252 CarbonylContact O-C 3.45Å; I60-T252 VanDerWaalsContact O-CA 3.27Å; I60-T252 WeakPolarHBondContact O-CA 3.44Å; I60-T252 PolarHBondContact O-N 3.43Å; I60-T252 PolarHBondContact O-OG1 2.66Å; G61-T252 PolarHBondContact O-OG1 2.71Å; G66-T252 WeakPolarHBondContact CA-OG1 3.43Å; V250-T252 HydrophobicContact CB-CG2 4.44Å; V250-T252 HydrophobicContact CG1-CG2 3.87Å; V250-T252 PolarHBondContact O-N 3.36Å; T252-G254 PolarHBondContact O-N 3.26Å; T252-A399 WeakPolarHBondContact CA-O 3.29Å; T252-A399 HydrophobicContact CG2-CB 4.03Å
253	A	98.7	Very high	98.4	Very high	11 Å²	11	27.3 Å²	27.3	9%	0.091	14%	0.137	C	C	.	.			trans	-79.3	25.7	-158.9	0	0	0	0	0	115.8	I60 N251 F255 W256 V260	I60-A253 HydrophobicContact CG2-CB 4.45Å; I60-A253 PolarHBondContact O-N 2.85Å; N251-A253 WeakPolarHBondContact OD1-CB 3.49Å; N251-A253 PolarHBondContact OD1-N 3.4Å; A253-F255 PolarHBondContact O-N 3.46Å; A253-W256 HydrophobicContact CB-CB 4.18Å; A253-W256 WeakPolarHBondContact O-CB 3.31Å; A253-W256 PolarHBondContact O-N 3.18Å; A253-V260 HydrophobicContact CB-CG2 3.84Å
254	G	98.3	Very high	98.3	Very high	26 Å²	26	25.2 Å²	25.2	27%	0.268	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	54.8	-126.4	179	0	0	0	0	0	112.4	T252 W256 A257	T252-G254 PolarHBondContact O-N 3.26Å; G254-W256 VanDerWaalsContact C-N 3.31Å; G254-W256 PolarHBondContact O-N 2.87Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.37Å; G254-A257 VanDerWaalsContact O-N 3.16Å
255	F	97.8	Very high	98.2	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.031	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-74.1	-18.3	178.9	43.1	-96.3	0	0	0	113.9	S93 A253 A257 P272 W329 V334 F338 P376 T378	S93-F255 WeakPolarHBondContact OG-CD1 3.43Å; S93-F255 WeakPolarHBondContact OG-CE1 3.2Å; A253-F255 PolarHBondContact O-N 3.46Å; F255-A257 PolarHBondContact O-N 2.63Å; F255-P272 HydrophobicContact CB-CB 4.31Å; F255-P272 HydrophobicContact CB-CG 4.03Å; F255-W329 HydrophobicContact CD2-CE3 4.29Å; F255-W329 AromaticContact CD2-CZ3 3.75Å; F255-W329 HydrophobicContact CD2-CZ3 3.75Å; F255-W329 AromaticContact CE2-CZ3 3.89Å; F255-W329 HydrophobicContact CE2-CZ3 3.89Å; F255-W329 HydrophobicContact CG-CZ3 4.26Å; F255-V334 HydrophobicContact CD2-CG1 3.98Å; F255-V334 HydrophobicContact CD2-CG2 4.16Å; F255-V334 HydrophobicContact CE2-CG1 3.99Å; F255-F338 AromaticContact CE2-CD1 3.79Å; F255-F338 HydrophobicContact CE2-CD1 3.79Å; F255-F338 HydrophobicContact CE2-CE1 4.16Å; F255-F338 AromaticContact CZ-CD1 3.72Å; F255-F338 HydrophobicContact CZ-CD1 3.72Å; F255-F338 AromaticContact CZ-CE1 3.72Å; F255-F338 HydrophobicContact CZ-CE1 3.72Å; F255-P376 HydrophobicContact CD1-CB 4.23Å; F255-P376 HydrophobicContact CD1-CG 4.17Å; F255-P376 HydrophobicContact CE1-CB 4.31Å; F255-P376 HydrophobicContact CE1-CG 3.75Å; F255-P376 HydrophobicContact CZ-CG 4.16Å; F255-T378 WeakPolarHBondContact CA-OG1 3.05Å; F255-T378 PolarHBondContact N-OG1 2.87Å
256	W	98.6	Very high	98	Very high	24 Å²	24	27.2 Å²	27.2	9%	0.091	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-76.5	-3.7	168.8	-59.7	-77.1	0	0	0	113.2	K86 A253 G254 R258 E259 V260 V334 F338	K86-W256 HydrophobicContact CD-CZ2 4.32Å; A253-W256 HydrophobicContact CB-CB 4.18Å; A253-W256 WeakPolarHBondContact O-CB 3.31Å; A253-W256 PolarHBondContact O-N 3.18Å; G254-W256 VanDerWaalsContact C-N 3.31Å; G254-W256 PolarHBondContact O-N 2.87Å; W256-R258 PolarHBondContact O-N 2.56Å; W256-R258 VanDerWaalsContact O-N 3.1Å; W256-E259 PolarHBondContact O-N 3.25Å; W256-V260 PolarHBondContact O-N 3.49Å; W256-V334 HydrophobicContact CZ2-CG1 4.41Å; W256-F338 VanDerWaalsContact CZ2-O 3.27Å; W256-F338 WeakPolarHBondContact CZ2-O 3.35Å
257	A	98.4	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-53.4	-35	-179.5	0	0	0	0	0	113.6	N251 G254 F255 G261 H268 I400	N251-A257 PolarHBondContact ND2-O 3.25Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.37Å; G254-A257 VanDerWaalsContact O-N 3.16Å; F255-A257 PolarHBondContact O-N 2.63Å; A257-G261 PolarHBondContact O-N 3.22Å; A257-G261 VanDerWaalsContact O-N 3.07Å; A257-H268 PolarHBondContact O-CD2 2.66Å; A257-H268 VanDerWaalsContact O-CD2 3.32Å; A257-I400 HydrophobicContact CB-CB 3.69Å; A257-I400 HydrophobicContact CB-CD1 4.08Å; A257-I400 HydrophobicContact CB-CG1 4.46Å; A257-I400 HydrophobicContact CB-CG2 3.52Å
258	R	98.1	Very high	97.6	Very high	19 Å²	19	29.6 Å²	29.6	7%	0.072	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-42.4	177.7	-175.8	170.4	168.9	76.7	4.7	112.1	W256 G261 Q262 H268	W256-R258 PolarHBondContact O-N 2.56Å; W256-R258 VanDerWaalsContact O-N 3.1Å; R258-G261 WeakPolarHBondContact O-CA 3.4Å; R258-G261 PolarHBondContact O-N 2.77Å; R258-Q262 WeakPolarHBondContact O-CG 3.4Å; R258-Q262 PolarHBondContact O-N 2.9Å; R258-H268 PolarHBondContact NH1-O 2.97Å
259	E	98.3	Very high	97.5	Very high	54 Å²	54	28 Å²	28	25%	0.252	16%	0.159	S	C	.	.	H	α-helix	trans	-69.4	-40.5	177.4	-60	178	175.4	0	0	111.9	W256 G261 Q262 M263 G333 V334	W256-E259 PolarHBondContact O-N 3.25Å; E259-G261 PolarHBondContact O-N 3.41Å; E259-Q262 WeakPolarHBondContact O-CA 3.3Å; E259-Q262 WeakPolarHBondContact O-CB 3.14Å; E259-Q262 PolarHBondContact O-N 2.89Å; E259-M263 PolarHBondContact O-N 3.26Å; E259-M263 VanDerWaalsContact O-N 3.16Å; E259-G333 WeakPolarHBondContact OE1-CA 3.18Å; E259-V334 WeakPolarHBondContact OE1-CB 3.38Å; E259-V334 PolarHBondContact OE1-N 3.05Å
260	V	98.5	Very high	97.5	Very high	10 Å²	10	28.1 Å²	28.1	6%	0.061	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-25.6	172.4	177	0	0	0	0	111.5	I60 L227 N251 A253 W256	I60-V260 HydrophobicContact CD1-CG1 3.9Å; I60-V260 HydrophobicContact CG2-CG1 4.25Å; I60-V260 HydrophobicContact CG2-CG2 4.23Å; L227-V260 HydrophobicContact CD1-CG1 3.99Å; N251-V260 HydrophobicContact CB-CG1 4.14Å; A253-V260 HydrophobicContact CB-CG2 3.84Å; W256-V260 PolarHBondContact O-N 3.49Å
261	G	97.8	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-40.2	166.4	0	0	0	0	0	113.2	A257 R258 E259 M263 I264 G265 F266	A257-G261 PolarHBondContact O-N 3.22Å; A257-G261 VanDerWaalsContact O-N 3.07Å; R258-G261 WeakPolarHBondContact O-CA 3.4Å; R258-G261 PolarHBondContact O-N 2.77Å; E259-G261 PolarHBondContact O-N 3.41Å; G261-M263 PolarHBondContact O-N 3.42Å; G261-I264 WeakPolarHBondContact O-CG1 3.37Å; G261-I264 PolarHBondContact O-N 3.21Å; G261-G265 PolarHBondContact O-N 2.97Å; G261-F266 CarbonylContact C-O 3.47Å; G261-F266 PolarHBondContact O-N 3.26Å
262	Q	97	Very high	97.4	Very high	83 Å²	83	28.4 Å²	28.4	39%	0.388	16%	0.162	S	C	.	.	H	α-helix	trans	-64.1	-29.3	-178.2	-72.7	166.9	-11.4	0	0	112.4	R258 E259 I264 G265 F266 Q267	R258-Q262 WeakPolarHBondContact O-CG 3.4Å; R258-Q262 PolarHBondContact O-N 2.9Å; E259-Q262 WeakPolarHBondContact O-CA 3.3Å; E259-Q262 WeakPolarHBondContact O-CB 3.14Å; E259-Q262 PolarHBondContact O-N 2.89Å; Q262-I264 PolarHBondContact O-N 3.06Å; Q262-G265 PolarHBondContact O-N 2.88Å; Q262-F266 VanDerWaalsContact CA-O 3.27Å; Q262-F266 WeakPolarHBondContact CA-O 3.41Å; Q262-F266 PolarHBondContact N-O 2.84Å; Q262-Q267 HydrophobicContact CG-CG 4.09Å
263	M	98.1	Very high	97.4	Very high	70 Å²	70	27.9 Å²	27.9	35%	0.345	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.8	171	-65.3	176.1	-175.7	0	0	113.4	V224 L227 E259 G261	V224-M263 HydrophobicContact CG1-SD 4Å; V224-M263 WeakPolarHBondContact O-CE 3.5Å; L227-M263 HydrophobicContact CB-CB 4.21Å; L227-M263 HydrophobicContact CD1-CB 4.25Å; L227-M263 HydrophobicContact CD1-SD 4.21Å; L227-M263 HydrophobicContact CG-CB 4.33Å; L227-M263 HydrophobicContact CG-SD 4.16Å; E259-M263 PolarHBondContact O-N 3.26Å; E259-M263 VanDerWaalsContact O-N 3.16Å; G261-M263 PolarHBondContact O-N 3.42Å
264	I	96.4	Very high	97.3	Very high	20 Å²	20	27.9 Å²	27.9	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	14.8	177.1	68	167.2	0	0	0	112.6	L227 W235 G261 Q262 F266 F393 Y396	L227-I264 HydrophobicContact CB-CG2 3.65Å; L227-I264 HydrophobicContact CD1-CG2 4.13Å; W235-I264 HydrophobicContact CH2-CB 4.44Å; W235-I264 HydrophobicContact CH2-CD1 4.41Å; W235-I264 HydrophobicContact CH2-CG2 3.85Å; W235-I264 HydrophobicContact CZ3-CB 4.48Å; W235-I264 HydrophobicContact CZ3-CG2 3.51Å; G261-I264 WeakPolarHBondContact O-CG1 3.37Å; G261-I264 PolarHBondContact O-N 3.21Å; Q262-I264 PolarHBondContact O-N 3.06Å; I264-F266 VanDerWaalsContact C-N 3.3Å; I264-F266 HydrophobicContact CG1-CB 4.17Å; I264-F266 PolarHBondContact O-N 3.2Å; I264-F393 HydrophobicContact CB-CE1 4.16Å; I264-F393 HydrophobicContact CD1-CD1 3.88Å; I264-F393 HydrophobicContact CD1-CD2 3.97Å; I264-F393 HydrophobicContact CD1-CE1 3.94Å; I264-F393 HydrophobicContact CD1-CE2 4.03Å; I264-F393 HydrophobicContact CD1-CG 3.88Å; I264-F393 HydrophobicContact CD1-CZ 4.01Å; I264-F393 HydrophobicContact CG1-CE1 4.2Å; I264-F393 HydrophobicContact CG1-CZ 4.2Å; I264-F393 WeakPolarHBondContact O-CE1 3.45Å; I264-F393 WeakPolarHBondContact O-CZ 3.4Å; I264-Y396 HydrophobicContact CD1-CD1 4.02Å; I264-Y396 HydrophobicContact CD1-CD2 3.73Å; I264-Y396 HydrophobicContact CD1-CE1 3.94Å; I264-Y396 HydrophobicContact CD1-CE2 3.64Å; I264-Y396 HydrophobicContact CD1-CG 3.92Å
265	G	95.4	Very high	97.3	Very high	72 Å²	72	27.2 Å²	27.2	74%	0.742	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	9.9	-178.6	0	0	0	0	0	115.2	G261 Q262	G261-G265 PolarHBondContact O-N 2.97Å; Q262-G265 PolarHBondContact O-N 2.88Å
266	F	94.5	Very high	97.4	Very high	62 Å²	62	26.9 Å²	26.9	27%	0.272	15%	0.146	S	C	.	.			trans	-103.3	155.1	179.2	-166.8	-102.7	0	0	0	112.2	G261 Q262 I264 H268 H390 F393	G261-F266 CarbonylContact C-O 3.47Å; G261-F266 PolarHBondContact O-N 3.26Å; Q262-F266 VanDerWaalsContact CA-O 3.27Å; Q262-F266 WeakPolarHBondContact CA-O 3.41Å; Q262-F266 PolarHBondContact N-O 2.84Å; I264-F266 VanDerWaalsContact C-N 3.3Å; I264-F266 HydrophobicContact CG1-CB 4.17Å; I264-F266 PolarHBondContact O-N 3.2Å; F266-H268 AromaticContact CD1-CE1 3.52Å; F266-H268 AromaticContact CD1-CG 4Å; F266-H268 AromaticContact CD1-ND1 3.64Å; F266-H268 AromaticContact CD1-NE2 3.84Å; F266-H268 AromaticContact CE1-CE1 3.68Å; F266-H268 AromaticContact CE1-ND1 3.44Å; F266-H268 WeakPolarHBondContact CE1-ND1 3.27Å; F266-H390 AromaticContact CD1-NE2 3.95Å; F266-H390 AromaticContact CE1-CE1 3.72Å; F266-H390 AromaticContact CE1-NE2 3.34Å; F266-H390 VanDerWaalsContact CE1-NE2 3.34Å; F266-H390 WeakPolarHBondContact CE1-NE2 3.38Å; F266-H390 AromaticContact CE2-CE1 3.72Å; F266-H390 AromaticContact CZ-CE1 3.49Å; F266-H390 VanDerWaalsContact CZ-CE1 3.49Å; F266-H390 WeakPolarHBondContact CZ-CE1 3.39Å; F266-H390 AromaticContact CZ-NE2 3.45Å; F266-H390 WeakPolarHBondContact CZ-NE2 3.43Å; F266-F393 HydrophobicContact CB-CE2 3.91Å; F266-F393 HydrophobicContact CB-CZ 4.15Å; F266-F393 HydrophobicContact CD2-CE2 4.08Å; F266-F393 HydrophobicContact CG-CE2 4.18Å
267	Q	91	Very high	97.4	Very high	110 Å²	110	27.1 Å²	27.1	51%	0.514	15%	0.147	S	C	.	.			trans	-127.1	95.8	177.8	-71.4	-162.4	7	0	0	110.6	Q262	Q262-Q267 HydrophobicContact CG-CG 4.09Å
268	H	97.8	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.			trans	-59	136.3	177.5	-68.8	-65.8	0	0	0	111.2	A257 R258 F266 T270 H390 Y396 I400	A257-H268 PolarHBondContact O-CD2 2.66Å; A257-H268 VanDerWaalsContact O-CD2 3.32Å; R258-H268 PolarHBondContact NH1-O 2.97Å; F266-H268 AromaticContact CD1-CE1 3.52Å; F266-H268 AromaticContact CD1-CG 4Å; F266-H268 AromaticContact CD1-ND1 3.64Å; F266-H268 AromaticContact CD1-NE2 3.84Å; F266-H268 AromaticContact CE1-CE1 3.68Å; F266-H268 AromaticContact CE1-ND1 3.44Å; F266-H268 WeakPolarHBondContact CE1-ND1 3.27Å; H268-T270 HydrophobicContact CB-CG2 4.45Å; H268-T270 PolarHBondContact O-N 3.33Å; H268-H390 AromaticContact CE1-CD2 3.9Å; H268-H390 AromaticContact CE1-NE2 3.94Å; H268-Y396 AromaticContact CE1-CE1 3.88Å; H268-Y396 AromaticContact NE2-CE1 3.67Å; H268-Y396 AromaticContact NE2-CZ 3.77Å; H268-Y396 PolarHBondContact NE2-OH 2.86Å; H268-I400 HydrophobicContact CB-CD1 3.75Å; H268-I400 WeakPolarHBondContact ND1-CD1 3.49Å
269	P	97.3	Very high	97.4	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.058	15%	0.15	C	C	.	.			trans	-78.5	64	175.9	34.1	-35.6	0	0	0	110	P381 M386 Y437 T441 M446	P269-P381 HydrophobicContact CB-CG 4.45Å; P269-P381 VanDerWaalsContact O-CD 3.25Å; P269-P381 WeakPolarHBondContact O-CD 3.15Å; P269-M386 HydrophobicContact CG-CE 4.37Å; P269-M386 HydrophobicContact CG-SD 4.01Å; P269-Y437 HydrophobicContact CG-CD2 3.53Å; P269-Y437 HydrophobicContact CG-CE2 4.19Å; P269-Y437 HydrophobicContact CG-CG 3.8Å; P269-T441 HydrophobicContact CB-CG2 3.6Å; P269-T441 HydrophobicContact CG-CG2 4.17Å; P269-M446 VanDerWaalsContact CA-SD 3.56Å; P269-M446 HydrophobicContact CB-SD 4.3Å
270	T	98.1	Very high	97.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	14%	0.14	C	C	.	.			trans	-121.5	135.8	176	52.3	0	0	0	0	110.9	H268 T378 Y379 T380 M386 I400 M446	H268-T270 HydrophobicContact CB-CG2 4.45Å; H268-T270 PolarHBondContact O-N 3.33Å; T270-T378 HydrophobicContact CG2-CG2 4.27Å; T270-Y379 CarbonylContact C-O 3.31Å; T270-Y379 VanDerWaalsContact CA-O 3.31Å; T270-Y379 WeakPolarHBondContact CA-O 3.43Å; T270-T380 HydrophobicContact CG2-CG2 4.38Å; T270-M386 HydrophobicContact CG2-SD 4.35Å; T270-I400 HydrophobicContact CG2-CD1 4.17Å; T270-I400 HydrophobicContact CG2-CG1 4.28Å; T270-M446 PolarHBondContact N-SD 2.86Å; T270-M446 VanDerWaalsContact N-SD 3.37Å
271	I	98.3	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.7	178.1	-175	162.6	0	0	0	110.8	L325 V330 Y379 M446 C447 A450	I271-L325 HydrophobicContact CD1-CB 4.21Å; I271-L325 HydrophobicContact CD1-CD1 3.76Å; I271-L325 HydrophobicContact CD1-CD2 4.43Å; I271-L325 HydrophobicContact CD1-CG 4.34Å; I271-V330 HydrophobicContact CB-CG2 4.07Å; I271-V330 HydrophobicContact CD1-CG2 3.91Å; I271-V330 HydrophobicContact CG1-CG2 3.69Å; I271-Y379 PolarHBondContact N-O 3.41Å; I271-Y379 PolarHBondContact O-N 2.87Å; I271-M446 HydrophobicContact CB-CE 4.03Å; I271-M446 HydrophobicContact CB-CG 4.33Å; I271-M446 HydrophobicContact CB-SD 4.14Å; I271-M446 HydrophobicContact CD1-CE 4.46Å; I271-M446 HydrophobicContact CG2-CG 4.1Å; I271-M446 HydrophobicContact CG2-SD 4.5Å; I271-C447 WeakPolarHBondContact CD1-SG 3.27Å; I271-A450 HydrophobicContact CG2-CB 3.45Å; I271-A450 VanDerWaalsContact CG2-CB 3.45Å
272	P	98.4	Very high	97.5	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.1	170.7	-4.9	21.4	0	0	0	110.2	F255 Q326 W329 P376 I377	F255-P272 HydrophobicContact CB-CB 4.31Å; F255-P272 HydrophobicContact CB-CG 4.03Å; P272-Q326 HydrophobicContact CB-CB 3.96Å; P272-Q326 HydrophobicContact CB-CG 3.91Å; P272-Q326 HydrophobicContact CG-CB 3.93Å; P272-Q326 HydrophobicContact CG-CG 4.37Å; P272-Q326 PolarHBondContact O-N 3.3Å; P272-W329 HydrophobicContact CB-CE3 4.12Å; P272-W329 HydrophobicContact CB-CZ3 4.46Å; P272-W329 HydrophobicContact CG-CB 4.29Å; P272-W329 HydrophobicContact CG-CD2 4.4Å; P272-W329 HydrophobicContact CG-CE3 3.65Å; P272-W329 HydrophobicContact CG-CZ3 4.4Å; P272-P376 HydrophobicContact CB-CB 4.15Å; P272-I377 CarbonylContact C-O 3.55Å; P272-I377 WeakPolarHBondContact CA-O 3.29Å
273	V	98.3	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.3	169	-57	0	0	0	0	110.1	M323 L325 P376 I377 Y379 Y454	V273-M323 HydrophobicContact CB-CE 3.77Å; V273-M323 HydrophobicContact CG1-CE 3.72Å; V273-L325 HydrophobicContact CG1-CB 4.22Å; V273-P376 WeakPolarHBondContact O-CA 3.21Å; V273-I377 HydrophobicContact CG2-CB 4.23Å; V273-I377 PolarHBondContact N-O 2.8Å; V273-I377 PolarHBondContact O-N 3.15Å; V273-Y379 HydrophobicContact CB-CG 4.49Å; V273-Y379 HydrophobicContact CG1-CD1 4.01Å; V273-Y379 HydrophobicContact CG1-CD2 4.44Å; V273-Y379 HydrophobicContact CG1-CG 3.9Å; V273-Y379 HydrophobicContact CG2-CD1 4.03Å; V273-Y379 HydrophobicContact CG2-CD2 3.41Å; V273-Y379 VanDerWaalsContact CG2-CD2 3.41Å; V273-Y379 HydrophobicContact CG2-CE1 4.09Å; V273-Y379 HydrophobicContact CG2-CE2 3.47Å; V273-Y379 VanDerWaalsContact CG2-CE2 3.47Å; V273-Y379 HydrophobicContact CG2-CG 3.71Å; V273-Y454 HydrophobicContact CG2-CD2 4.02Å; V273-Y454 HydrophobicContact CG2-CE2 4.41Å
274	H	97.8	Very high	97.6	Very high	10 Å²	10	27 Å²	27	5%	0.046	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.9	176.1	179.6	176.8	0	0	0	108.9	Q276 V324 F343 R349 S374	H274-Q276 VanDerWaalsContact NE2-CG 3.28Å; H274-Q276 WeakPolarHBondContact NE2-CG 3.44Å; H274-Q276 PolarHBondContact NE2-OE1 3.13Å; H274-V324 HydrophobicContact CB-CB 3.97Å; H274-V324 HydrophobicContact CB-CG1 4.22Å; H274-V324 PolarHBondContact N-O 3.17Å; H274-F343 HydrophobicContact CB-CD2 4.12Å; H274-F343 HydrophobicContact CB-CE2 4.16Å; H274-F343 AromaticContact CD2-CD2 3.79Å; H274-F343 AromaticContact CG-CD2 3.69Å; H274-F343 AromaticContact ND1-CD2 3.93Å; H274-R349 PolarHBondContact CD2-NH2 2.88Å; H274-R349 PolarHBondContact CE1-NH1 2.94Å; H274-R349 VanDerWaalsContact CG-NH2 3.34Å; H274-R349 PolarHBondContact ND1-NH2 3Å; H274-R349 PolarHBondContact O-NH2 2.91Å; H274-S374 VanDerWaalsContact NE2-CB 3.31Å; H274-S374 WeakPolarHBondContact NE2-CB 3.44Å
275	H	98.4	Very high	97.7	Very high	12 Å²	12	29 Å²	29	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.5	170.3	-179.7	56.7	0	0	0	110.7	Y304 P316 G375 I377 Y454	H275-Y304 AromaticContact CE1-CE1 3.82Å; H275-Y304 AromaticContact NE2-CE1 3.44Å; H275-Y304 WeakPolarHBondContact NE2-CE1 3.4Å; H275-Y304 AromaticContact NE2-CZ 3.57Å; H275-Y304 PolarHBondContact NE2-OH 2.85Å; H275-P316 PolarHBondContact CE1-O 2.68Å; H275-P316 PolarHBondContact ND1-O 2.79Å; H275-G375 PolarHBondContact N-O 3.09Å; H275-G375 PolarHBondContact O-N 3.39Å; H275-I377 HydrophobicContact CB-CD1 3.58Å; H275-I377 HydrophobicContact CB-CG1 4.11Å; H275-Y454 HydrophobicContact CB-CE2 4.13Å; H275-Y454 AromaticContact ND1-CE2 3.98Å; H275-Y454 AromaticContact ND1-CZ 3.92Å; H275-Y454 PolarHBondContact ND1-OH 3.02Å
276	Q	98.5	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.2	-178.5	-58.2	-171.6	113.6	0	0	111.9	H274 D346 I350 V373 S374	H274-Q276 VanDerWaalsContact NE2-CG 3.28Å; H274-Q276 WeakPolarHBondContact NE2-CG 3.44Å; H274-Q276 PolarHBondContact NE2-OE1 3.13Å; Q276-D346 PolarHBondContact NE2-O 2.87Å; Q276-I350 HydrophobicContact CB-CD1 4.23Å; Q276-V373 CarbonylContact C-O 3.55Å; Q276-V373 VanDerWaalsContact CA-O 3.26Å; Q276-V373 WeakPolarHBondContact CA-O 3.38Å; Q276-S374 WeakPolarHBondContact CG-OG 3.48Å; Q276-S374 PolarHBondContact OE1-OG 2.71Å
277	Y	98.6	Very high	98	Very high	29 Å²	29	28.7 Å²	28.7	11%	0.114	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.4	162.3	65.6	-99.7	0	0	0	112.2	H96 A98 V279 L313 F314 V372 V373	H96-Y277 VanDerWaalsContact O-CE1 3.25Å; H96-Y277 WeakPolarHBondContact O-CE1 3.3Å; H96-Y277 PolarHBondContact O-OH 2.9Å; H96-Y277 VanDerWaalsContact O-OH 3.12Å; A98-Y277 HydrophobicContact CB-CD1 3.87Å; A98-Y277 HydrophobicContact CB-CE1 3.85Å; A98-Y277 HydrophobicContact CB-CG 4.35Å; Y277-V279 HydrophobicContact CD2-CG2 3.84Å; Y277-V279 HydrophobicContact CE2-CG2 3.72Å; Y277-L313 HydrophobicContact CD2-CD1 3.64Å; Y277-L313 HydrophobicContact CD2-CD2 3.84Å; Y277-L313 HydrophobicContact CD2-CG 3.6Å; Y277-L313 HydrophobicContact CE2-CD1 3.48Å; Y277-L313 VanDerWaalsContact CE2-CD1 3.48Å; Y277-L313 HydrophobicContact CE2-CD2 4.44Å; Y277-L313 HydrophobicContact CE2-CG 4.01Å; Y277-L313 HydrophobicContact CG-CD2 4.07Å; Y277-L313 HydrophobicContact CG-CG 4.34Å; Y277-F314 CarbonylContact C-O 3.59Å; Y277-F314 WeakPolarHBondContact CA-O 3.48Å; Y277-F314 WeakPolarHBondContact CB-O 3.44Å; Y277-V372 CarbonylContact O-C 3.59Å; Y277-V372 WeakPolarHBondContact O-CA 3.31Å; Y277-V373 HydrophobicContact CD1-CB 4.17Å; Y277-V373 HydrophobicContact CD1-CG1 4.43Å; Y277-V373 HydrophobicContact CD2-CB 4.1Å; Y277-V373 HydrophobicContact CD2-CG2 4.36Å; Y277-V373 HydrophobicContact CE1-CB 3.74Å; Y277-V373 HydrophobicContact CE1-CG1 3.69Å; Y277-V373 HydrophobicContact CE1-CG2 4.46Å; Y277-V373 HydrophobicContact CE2-CB 3.65Å; Y277-V373 HydrophobicContact CE2-CG1 4.35Å; Y277-V373 HydrophobicContact CE2-CG2 3.61Å; Y277-V373 HydrophobicContact CG-CB 4.35Å; Y277-V373 VanDerWaalsContact CZ-CB 3.47Å; Y277-V373 PolarHBondContact N-O 3.28Å; Y277-V373 PolarHBondContact O-N 3.29Å
278	V	98.7	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.3	-177.9	-176.1	0	0	0	0	108.9	L313 F314 L347 I350 I369 V372	V278-L313 CarbonylContact O-C 3.56Å; V278-L313 VanDerWaalsContact O-CA 3.3Å; V278-L313 WeakPolarHBondContact O-CA 3.28Å; V278-F314 HydrophobicContact CB-CD1 4.16Å; V278-F314 HydrophobicContact CB-CE1 3.68Å; V278-F314 HydrophobicContact CB-CE2 4.21Å; V278-F314 HydrophobicContact CB-CZ 3.7Å; V278-F314 HydrophobicContact CG1-CE1 3.79Å; V278-F314 HydrophobicContact CG1-CZ 3.94Å; V278-F314 HydrophobicContact CG2-CE1 4.43Å; V278-F314 HydrophobicContact CG2-CE2 4.16Å; V278-F314 HydrophobicContact CG2-CZ 3.94Å; V278-F314 PolarHBondContact N-O 3.06Å; V278-F314 PolarHBondContact O-N 3.29Å; V278-L347 HydrophobicContact CG2-CD1 3.94Å; V278-I350 HydrophobicContact CG2-CD1 4.23Å; V278-I369 HydrophobicContact CG1-CB 4.3Å; V278-I369 HydrophobicContact CG1-CD1 3.71Å; V278-I369 HydrophobicContact CG1-CG1 3.67Å; V278-I369 HydrophobicContact CG1-CG2 3.76Å; V278-V372 HydrophobicContact CG2-CG2 4.33Å
279	V	98.7	Very high	98.4	Very high	22 Å²	22	29.6 Å²	29.6	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	175.6	-173.8	0	0	0	0	109.4	Y277 E308 L313 I370 N371	Y277-V279 HydrophobicContact CD2-CG2 3.84Å; Y277-V279 HydrophobicContact CE2-CG2 3.72Å; V279-E308 HydrophobicContact CG1-CG 3.94Å; V279-L313 HydrophobicContact CG2-CB 4.47Å; V279-L313 HydrophobicContact CG2-CD1 3.97Å; V279-L313 HydrophobicContact CG2-CG 4.06Å; V279-I370 PolarHBondContact O-N 2.93Å; V279-N371 HydrophobicContact CB-CB 4.43Å; V279-N371 PolarHBondContact N-O 3.38Å; V279-N371 PolarHBondContact O-N 2.98Å
280	T	98.8	Very high	98.4	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	166.9	-179.4	74.6	0	0	0	0	113.3	L312 L364 A367 D368	T280-L312 HydrophobicContact CG2-CB 4.38Å; T280-L312 PolarHBondContact N-O 3.34Å; T280-L312 PolarHBondContact OG1-N 2.89Å; T280-L312 PolarHBondContact OG1-O 3.33Å; T280-L364 HydrophobicContact CG2-CD2 3.71Å; T280-A367 HydrophobicContact CG2-CB 4.02Å; T280-D368 CarbonylContact C-O 3.19Å; T280-D368 WeakPolarHBondContact CA-O 3.43Å; T280-D368 WeakPolarHBondContact CB-O 3.25Å
281	A	98.4	Very high	98.4	Very high	23 Å²	23	47.1 Å²	47.1	19%	0.19	25%	0.247	C	C	.	.			trans	-63.7	174.5	158.8	0	0	0	0	0	112.3	V283 G311 D368 I370	A281-V283 PolarHBondContact O-N 3.43Å; A281-G311 WeakPolarHBondContact O-CA 3.26Å; A281-D368 HydrophobicContact CB-CB 4.16Å; A281-D368 PolarHBondContact N-O 2.91Å; A281-I370 HydrophobicContact CB-CD1 3.97Å; A281-I370 HydrophobicContact CB-CG1 4.05Å
282	T	98.6	Very high	98.4	Very high	83 Å²	83	50 Å²	50	51%	0.509	26%	0.26	S	S	.	.			trans	-56	120.9	170.8	-68.1	0	0	0	0	110.8	K287 D310	T282-K287 HydrophobicContact CG2-CB 4.45Å; T282-K287 HydrophobicContact CG2-CD 4Å; T282-D310 WeakPolarHBondContact CA-O 3.37Å; T282-D310 HydrophobicContact CG2-CB 3.7Å
283	V	98.6	Very high	98.4	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	26%	0.259	C	S	.	.			trans	-95.9	119.9	175.3	177.7	0	0	0	0	107.9	A281 E285 V286 K287 D310 V363 A367	A281-V283 PolarHBondContact O-N 3.43Å; V283-E285 HydrophobicContact CG1-CB 4.29Å; V283-E285 PolarHBondContact O-N 3.32Å; V283-V286 HydrophobicContact CB-CB 4.02Å; V283-V286 HydrophobicContact CB-CG2 3.72Å; V283-V286 HydrophobicContact CG1-CB 4.42Å; V283-V286 HydrophobicContact CG1-CG2 3.84Å; V283-V286 HydrophobicContact CG2-CG2 4.48Å; V283-V286 PolarHBondContact O-N 3Å; V283-K287 PolarHBondContact O-N 2.98Å; V283-D310 PolarHBondContact N-O 3.35Å; V283-V363 HydrophobicContact CG1-CB 3.82Å; V283-V363 HydrophobicContact CG1-CG2 3.98Å; V283-A367 HydrophobicContact CG2-CB 3.84Å
284	P	98.4	Very high	98.4	Very high	94 Å²	94	49.9 Å²	49.9	61%	0.61	26%	0.26	S	S	*	.	H	α-helix	trans	-55.1	-39.8	-176.4	-27.3	35.2	0	0	0	113.5	K287 A288	P284-K287 PolarHBondContact O-N 3.33Å; P284-A288 PolarHBondContact O-N 2.93Å; P284-A288 VanDerWaalsContact O-N 3.11Å
285	E	98.6	Very high	98.5	Very high	60 Å²	60	49.8 Å²	49.8	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-33.1	178.1	-63.5	90.8	152.4	0	0	112.8	L180 V283 V363 K366	L180-E285 HydrophobicContact CD1-CB 4.19Å; L180-E285 HydrophobicContact CD2-CB 3.97Å; V283-E285 HydrophobicContact CG1-CB 4.29Å; V283-E285 PolarHBondContact O-N 3.32Å; E285-V363 HydrophobicContact CB-CG1 3.87Å; E285-V363 HydrophobicContact CG-CG1 3.84Å; E285-K366 IonicContact OE1-NZ 3.49Å; E285-K366 PolarHBondContact OE1-NZ 2.95Å; E285-K366 VanDerWaalsContact OE1-NZ 3.15Å
286	V	98.6	Very high	98.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-73.9	-44.9	174.6	176.1	0	0	0	0	110.4	L180 V283 A288 L289 L293 Q307 L312	L180-V286 HydrophobicContact CD1-CB 4.43Å; L180-V286 HydrophobicContact CD1-CG2 3.55Å; V283-V286 HydrophobicContact CB-CB 4.02Å; V283-V286 HydrophobicContact CB-CG2 3.72Å; V283-V286 HydrophobicContact CG1-CB 4.42Å; V283-V286 HydrophobicContact CG1-CG2 3.84Å; V283-V286 HydrophobicContact CG2-CG2 4.48Å; V283-V286 PolarHBondContact O-N 3Å; V286-A288 PolarHBondContact O-N 2.94Å; V286-L289 WeakPolarHBondContact O-CB 3.33Å; V286-L289 WeakPolarHBondContact O-CG 3.31Å; V286-L289 PolarHBondContact O-N 3.16Å; V286-L293 HydrophobicContact CG1-CD1 4.36Å; V286-L293 HydrophobicContact CG2-CD1 4.24Å; V286-Q307 HydrophobicContact CG1-CG 3.98Å; V286-L312 HydrophobicContact CG2-CD1 4.32Å; V286-L312 HydrophobicContact CG2-CD2 3.81Å; V286-L312 HydrophobicContact CG2-CG 4.03Å
287	K	98.5	Very high	98.5	Very high	127 Å²	127	50.8 Å²	50.8	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-60.5	-26	177.3	-167.9	176.7	-175.7	104.9	0	113.4	T282 V283 P284 L289 D310	T282-K287 HydrophobicContact CG2-CB 4.45Å; T282-K287 HydrophobicContact CG2-CD 4Å; V283-K287 PolarHBondContact O-N 2.98Å; P284-K287 PolarHBondContact O-N 3.33Å; K287-L289 VanDerWaalsContact C-N 3.28Å; K287-L289 PolarHBondContact O-N 3.48Å; K287-D310 HydrophobicContact CB-CB 4.1Å; K287-D310 HydrophobicContact CD-CB 4.49Å; K287-D310 HydrophobicContact CG-CB 4.22Å; K287-D310 IonicContact NZ-OD2 2.64Å; K287-D310 PolarHBondContact NZ-OD2 3.43Å
288	A	98.5	Very high	98.5	Very high	77 Å²	77	49.8 Å²	49.8	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	177.4	0	0	0	0	0	114.1	P284 V286	P284-A288 PolarHBondContact O-N 2.93Å; P284-A288 VanDerWaalsContact O-N 3.11Å; V286-A288 PolarHBondContact O-N 2.94Å
289	L	98.1	Very high	98.5	Very high	52 Å²	52	50 Å²	50	27%	0.272	26%	0.261	S	S	.	.			trans	-76	143.3	-177.5	-58.7	174.7	0	0	0	112.1	P179 L180 V286 K287 K291 L293	P179-L289 HydrophobicContact CG-CD2 3.9Å; L180-L289 HydrophobicContact CD1-CD1 4.25Å; V286-L289 WeakPolarHBondContact O-CB 3.33Å; V286-L289 WeakPolarHBondContact O-CG 3.31Å; V286-L289 PolarHBondContact O-N 3.16Å; K287-L289 VanDerWaalsContact C-N 3.28Å; K287-L289 PolarHBondContact O-N 3.48Å; L289-K291 WeakPolarHBondContact CB-O 3.29Å; L289-L293 HydrophobicContact CD1-CD1 3.96Å; L289-L293 HydrophobicContact CD1-CD2 3.54Å; L289-L293 HydrophobicContact CD1-CG 3.58Å
290	K	97.6	Very high	98.4	Very high	212 Å²	212	52.7 Å²	52.7	92%	0.922	27%	0.272	S	S	*	.	S	Bend	trans	-93.9	1.9	177.8	-59.5	-177.4	-177.4	178.1	0	113.6
291	K	97.6	Very high	98.4	Very high	169 Å²	169	52.3 Å²	52.3	74%	0.735	27%	0.269	S	S	*	.	S	Bend	trans	-144.8	150.1	177.8	-65.9	-175.9	-178.6	178.7	0	107.2	L289	L289-K291 WeakPolarHBondContact CB-O 3.29Å
292	E	98.6	Very high	98.4	Very high	59 Å²	59	51.9 Å²	51.9	28%	0.276	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-66.3	144	168.4	-173.7	173	-174.1	0	0	110.8	H135 P137 H197 Q307	H135-E292 IonicContact CE1-OE2 2.73Å; H135-E292 IonicContact CG-OE1 2.83Å; H135-E292 IonicContact CG-OE2 3.63Å; H135-E292 VanDerWaalsContact ND1-CD 3.32Å; H135-E292 IonicContact ND1-OE1 3.72Å; H135-E292 PolarHBondContact ND1-OE1 2.66Å; H135-E292 IonicContact ND1-OE2 3.21Å; H135-E292 PolarHBondContact ND1-OE2 3.34Å; P137-E292 HydrophobicContact CB-CB 4.3Å; P137-E292 HydrophobicContact CB-CG 4.31Å; P137-E292 HydrophobicContact CG-CG 4.2Å; H197-E292 IonicContact CD2-OE1 3.8Å; H197-E292 IonicContact CE1-OE1 3.77Å; H197-E292 IonicContact NE2-OE1 2.75Å; H197-E292 PolarHBondContact NE2-OE1 2.93Å; E292-Q307 HydrophobicContact CG-CB 4.12Å; E292-Q307 HydrophobicContact CG-CG 4.41Å
293	L	98.8	Very high	98.4	Very high	3 Å²	3	48 Å²	48	2%	0.016	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-67.3	140.7	175.7	-69	164.4	0	0	0	111.4	P137 F178 L180 V286 L289 Q307 L312	P137-L293 WeakPolarHBondContact CB-O 3.39Å; P137-L293 VanDerWaalsContact CG-O 3.3Å; P137-L293 WeakPolarHBondContact CG-O 3.28Å; F178-L293 HydrophobicContact CB-CD2 4.48Å; F178-L293 HydrophobicContact CD1-CD2 4.13Å; F178-L293 HydrophobicContact CD2-CB 3.87Å; F178-L293 HydrophobicContact CD2-CD2 3.84Å; F178-L293 HydrophobicContact CD2-CG 4.29Å; F178-L293 HydrophobicContact CE1-CD1 4.46Å; F178-L293 HydrophobicContact CE1-CD2 4.37Å; F178-L293 HydrophobicContact CE2-CB 3.81Å; F178-L293 HydrophobicContact CE2-CD1 3.91Å; F178-L293 HydrophobicContact CE2-CD2 4.08Å; F178-L293 HydrophobicContact CE2-CG 4.15Å; F178-L293 HydrophobicContact CG-CD2 3.9Å; F178-L293 HydrophobicContact CZ-CD1 3.89Å; F178-L293 HydrophobicContact CZ-CD2 4.34Å; L180-L293 HydrophobicContact CD1-CD1 4.34Å; V286-L293 HydrophobicContact CG1-CD1 4.36Å; V286-L293 HydrophobicContact CG2-CD1 4.24Å; L289-L293 HydrophobicContact CD1-CD1 3.96Å; L289-L293 HydrophobicContact CD1-CD2 3.54Å; L289-L293 HydrophobicContact CD1-CG 3.58Å; L293-Q307 HydrophobicContact CB-CB 4.31Å; L293-L312 HydrophobicContact CD1-CD2 3.89Å
294	A	98.7	Very high	98.4	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.5	145.3	167.6	0	0	0	0	0	110.9	G138 V140 L177 F178 I296	G138-A294 CarbonylContact O-C 3.01Å; G138-A294 VanDerWaalsContact O-CA 3.29Å; G138-A294 WeakPolarHBondContact O-CA 3.38Å; G138-A294 WeakPolarHBondContact O-CB 3.31Å; V140-A294 HydrophobicContact CG2-CB 4.24Å; L177-A294 HydrophobicContact CB-CB 4.08Å; L177-A294 PolarHBondContact O-N 3.45Å; F178-A294 WeakPolarHBondContact CD2-O 3.32Å; A294-I296 PolarHBondContact O-N 3.39Å
295	V	98.9	Very high	98.4	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.9	173.2	178.2	0	0	0	0	108.2	L100 G138 S139 V140 R306	L100-V295 HydrophobicContact CD2-CG1 3.6Å; L100-V295 HydrophobicContact CG-CG1 3.99Å; G138-V295 PolarHBondContact O-N 2.75Å; S139-V295 CarbonylContact C-O 3.58Å; S139-V295 VanDerWaalsContact CA-O 3.23Å; S139-V295 WeakPolarHBondContact CA-O 3.44Å; V140-V295 PolarHBondContact N-O 3.22Å; V295-R306 HydrophobicContact CG1-CB 4.33Å; V295-R306 HydrophobicContact CG2-CB 3.95Å
296	I	98.4	Very high	98.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	154.3	177.7	66.4	173.5	0	0	0	111.8	V140 I142 F178 L181 A294 Y304 L305 V361	V140-I296 CarbonylContact O-C 3.55Å; V140-I296 VanDerWaalsContact O-CA 3.31Å; V140-I296 WeakPolarHBondContact O-CA 3.08Å; I142-I296 HydrophobicContact CD1-CB 4.12Å; I142-I296 HydrophobicContact CD1-CD1 4.29Å; I142-I296 HydrophobicContact CD1-CG2 4.48Å; F178-I296 HydrophobicContact CB-CG2 4.27Å; F178-I296 HydrophobicContact CD2-CD1 4.44Å; F178-I296 HydrophobicContact CD2-CG2 3.43Å; F178-I296 VanDerWaalsContact CD2-CG2 3.43Å; F178-I296 HydrophobicContact CE1-CD1 4.45Å; F178-I296 HydrophobicContact CE2-CD1 4.04Å; F178-I296 HydrophobicContact CE2-CG1 4.16Å; F178-I296 HydrophobicContact CE2-CG2 3.92Å; F178-I296 HydrophobicContact CG-CG2 3.97Å; F178-I296 HydrophobicContact CZ-CD1 4.05Å; L181-I296 HydrophobicContact CD1-CD1 3.73Å; A294-I296 PolarHBondContact O-N 3.39Å; I296-Y304 CarbonylContact O-C 3.5Å; I296-Y304 WeakPolarHBondContact O-CA 3.36Å; I296-L305 HydrophobicContact CD1-CB 4.19Å; I296-L305 HydrophobicContact CD1-CD2 3.97Å; I296-L305 HydrophobicContact CD1-CG 4.5Å; I296-L305 HydrophobicContact CG1-CB 3.76Å; I296-L305 HydrophobicContact CG1-CD2 3.88Å; I296-L305 HydrophobicContact CG1-CG 4.38Å; I296-L305 PolarHBondContact N-O 3.09Å; I296-L305 PolarHBondContact O-N 2.8Å; I296-V361 HydrophobicContact CD1-CG2 3.94Å
297	R	98.8	Very high	98.4	Very high	31 Å²	31	42.8 Å²	42.8	12%	0.117	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	113.2	163.8	-170.5	-174.2	-93.1	-132.1	2.3	109.5	V140 I142 L299 Y303 Y404 N457 N458	V140-R297 PolarHBondContact O-N 3.29Å; I142-R297 PolarHBondContact N-O 3.4Å; R297-L299 HydrophobicContact CG-CD2 3.96Å; R297-Y303 WeakPolarHBondContact CA-O 3.32Å; R297-Y303 WeakPolarHBondContact CG-O 3.38Å; R297-Y404 PolarHBondContact NH2-OH 2.89Å; R297-N457 PolarHBondContact NH1-OD1 2.98Å; R297-N458 WeakPolarHBondContact CD-OD1 3.4Å; R297-N458 PolarHBondContact NH1-OD1 2.84Å
298	D	98.6	Very high	98.4	Very high	8 Å²	8	39 Å²	39	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119	168.9	-175.9	-5.9	0	0	0	108.3	E300 G301 S302 Y303 M360	D298-E300 PolarHBondContact OD1-N 2.94Å; D298-G301 VanDerWaalsContact CG-N 3.27Å; D298-G301 PolarHBondContact OD1-N 3.42Å; D298-G301 PolarHBondContact OD2-N 2.95Å; D298-S302 WeakPolarHBondContact O-CA 3.39Å; D298-S302 PolarHBondContact O-N 2.72Å; D298-S302 VanDerWaalsContact O-N 3.11Å; D298-Y303 HydrophobicContact CB-CD1 4.12Å; D298-Y303 HydrophobicContact CB-CE1 3.55Å; D298-Y303 HydrophobicContact CB-CE2 4.45Å; D298-Y303 PolarHBondContact N-O 3.14Å; D298-Y303 PolarHBondContact O-N 3.04Å; D298-Y303 VanDerWaalsContact O-N 3.14Å; D298-M360 WeakPolarHBondContact OD2-CE 3.43Å
299	L	98.4	Very high	98.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.8	-176.7	-55.2	-177.3	0	0	0	112.6	R141 I142 R148 R297	R141-L299 HydrophobicContact CB-CD1 4.31Å; R141-L299 VanDerWaalsContact NH2-CD2 3.29Å; I142-L299 WeakPolarHBondContact O-CG 3.48Å; R148-L299 PolarHBondContact NH2-O 2.77Å; R297-L299 HydrophobicContact CG-CD2 3.96Å
300	E	97.6	Very high	98.4	Very high	78 Å²	78	45.2 Å²	45.2	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-38.4	176.9	-55.5	-61.3	91.5	0	0	110.4	T145 R148 D298 S302	T145-E300 HydrophobicContact CG2-CG 4.22Å; T145-E300 WeakPolarHBondContact CG2-OE2 3.28Å; T145-E300 PolarHBondContact OG1-OE2 2.84Å; R148-E300 IonicContact CZ-OE1 3.87Å; R148-E300 IonicContact NE-OE1 3.04Å; R148-E300 PolarHBondContact NE-OE1 3Å; R148-E300 IonicContact NH2-OE1 2.68Å; R148-E300 PolarHBondContact NH2-OE1 2.99Å; D298-E300 PolarHBondContact OD1-N 2.94Å; E300-S302 PolarHBondContact O-N 3.11Å
301	G	97.8	Very high	98.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.7	168.1	0	0	0	0	0	114.2	D298 H353 M356	D298-G301 VanDerWaalsContact CG-N 3.27Å; D298-G301 PolarHBondContact OD1-N 3.42Å; D298-G301 PolarHBondContact OD2-N 2.95Å; G301-H353 PolarHBondContact O-ND1 3.08Å; G301-M356 WeakPolarHBondContact O-CE 3.22Å
302	S	98.5	Very high	98.5	Very high	15 Å²	15	27.1 Å²	27.1	11%	0.105	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	48.5	-177.2	-166.7	0	0	0	0	113.7	D298 E300 P316 Y317 N458	D298-S302 WeakPolarHBondContact O-CA 3.39Å; D298-S302 PolarHBondContact O-N 2.72Å; D298-S302 VanDerWaalsContact O-N 3.11Å; E300-S302 PolarHBondContact O-N 3.11Å; S302-P316 WeakPolarHBondContact O-CA 3.33Å; S302-Y317 PolarHBondContact O-N 2.84Å; S302-Y317 PolarHBondContact OG-O 2.75Å; S302-N458 WeakPolarHBondContact CA-ND2 3.41Å; S302-N458 PolarHBondContact OG-ND2 2.77Å
303	Y	98.8	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.1	175.6	73.2	-90.5	0	0	0	112.5	R297 D298 L305 F314 G315 A357 M360	R297-Y303 WeakPolarHBondContact CA-O 3.32Å; R297-Y303 WeakPolarHBondContact CG-O 3.38Å; D298-Y303 HydrophobicContact CB-CD1 4.12Å; D298-Y303 HydrophobicContact CB-CE1 3.55Å; D298-Y303 HydrophobicContact CB-CE2 4.45Å; D298-Y303 PolarHBondContact N-O 3.14Å; D298-Y303 PolarHBondContact O-N 3.04Å; D298-Y303 VanDerWaalsContact O-N 3.14Å; Y303-L305 HydrophobicContact CD2-CB 4.16Å; Y303-L305 HydrophobicContact CE2-CB 3.91Å; Y303-L305 HydrophobicContact CE2-CD1 4.32Å; Y303-F314 HydrophobicContact CD2-CB 4.34Å; Y303-G315 WeakPolarHBondContact CA-O 2.97Å; Y303-A357 HydrophobicContact CD1-CB 4.18Å; Y303-A357 HydrophobicContact CD2-CB 4.25Å; Y303-A357 HydrophobicContact CE1-CB 3.83Å; Y303-A357 HydrophobicContact CE2-CB 3.91Å; Y303-A357 HydrophobicContact CG-CB 4.41Å; Y303-M360 VanDerWaalsContact OH-CB 3.26Å; Y303-M360 WeakPolarHBondContact OH-CB 3.37Å; Y303-M360 VanDerWaalsContact OH-CG 3.24Å; Y303-M360 WeakPolarHBondContact OH-CG 3.11Å
304	Y	98.9	Very high	98.5	Very high	11 Å²	11	24.6 Å²	24.6	4%	0.043	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	151.2	165.5	63.3	-93	0	0	0	110.4	A98 L100 H275 I296 L313 F314 G315 Y317	A98-Y304 HydrophobicContact CB-CE2 3.77Å; A98-Y304 WeakPolarHBondContact CB-OH 3.42Å; L100-Y304 HydrophobicContact CD1-CD2 3.72Å; L100-Y304 HydrophobicContact CD1-CE2 3.74Å; L100-Y304 HydrophobicContact CD2-CD2 3.4Å; L100-Y304 HydrophobicContact CD2-CE2 4.16Å; L100-Y304 HydrophobicContact CD2-CG 3.66Å; L100-Y304 HydrophobicContact CG-CD2 4.23Å; H275-Y304 AromaticContact CE1-CE1 3.82Å; H275-Y304 AromaticContact NE2-CE1 3.44Å; H275-Y304 WeakPolarHBondContact NE2-CE1 3.4Å; H275-Y304 AromaticContact NE2-CZ 3.57Å; H275-Y304 PolarHBondContact NE2-OH 2.85Å; I296-Y304 CarbonylContact O-C 3.5Å; I296-Y304 WeakPolarHBondContact O-CA 3.36Å; Y304-L313 HydrophobicContact CE2-CD2 3.91Å; Y304-F314 CarbonylContact O-C 3.59Å; Y304-F314 WeakPolarHBondContact O-CA 3.35Å; Y304-F314 WeakPolarHBondContact O-CB 3.4Å; Y304-G315 WeakPolarHBondContact CD1-O 3.42Å; Y304-G315 VanDerWaalsContact CE1-O 3.29Å; Y304-G315 WeakPolarHBondContact CE1-O 3.35Å; Y304-G315 PolarHBondContact N-O 3.38Å; Y304-G315 PolarHBondContact O-N 2.95Å; Y304-Y317 AromaticContact CD1-CE2 3.86Å; Y304-Y317 HydrophobicContact CD1-CE2 3.86Å; Y304-Y317 AromaticContact CE1-CE2 3.95Å; Y304-Y317 HydrophobicContact CE1-CE2 3.95Å
305	L	98.9	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.3	176.4	176.3	158.2	0	0	0	110.4	F178 I296 Y303 L312 L313 F314 V361 L364	F178-L305 HydrophobicContact CE2-CD2 3.66Å; F178-L305 HydrophobicContact CZ-CD2 3.51Å; I296-L305 HydrophobicContact CD1-CB 4.19Å; I296-L305 HydrophobicContact CD1-CD2 3.97Å; I296-L305 HydrophobicContact CD1-CG 4.5Å; I296-L305 HydrophobicContact CG1-CB 3.76Å; I296-L305 HydrophobicContact CG1-CD2 3.88Å; I296-L305 HydrophobicContact CG1-CG 4.38Å; I296-L305 PolarHBondContact N-O 3.09Å; I296-L305 PolarHBondContact O-N 2.8Å; Y303-L305 HydrophobicContact CD2-CB 4.16Å; Y303-L305 HydrophobicContact CE2-CB 3.91Å; Y303-L305 HydrophobicContact CE2-CD1 4.32Å; L305-L312 HydrophobicContact CD2-CD2 4.27Å; L305-L313 CarbonylContact C-O 3.44Å; L305-L313 VanDerWaalsContact CA-O 3.25Å; L305-L313 WeakPolarHBondContact CA-O 3.37Å; L305-F314 HydrophobicContact CB-CB 3.76Å; L305-F314 HydrophobicContact CD1-CB 3.96Å; L305-F314 HydrophobicContact CG-CB 3.96Å; L305-V361 HydrophobicContact CD1-CB 4.46Å; L305-V361 HydrophobicContact CD1-CG2 4.11Å; L305-L364 HydrophobicContact CD1-CD1 3.98Å
306	R	98.8	Very high	98.5	Very high	17 Å²	17	24.2 Å²	24.2	6%	0.064	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	167.5	172.2	66	167.2	-178.2	82	-9.3	111.4	A98 L100 H197 V295 E308 L313	A98-R306 PolarHBondContact O-NE 3.49Å; A98-R306 PolarHBondContact O-NH2 3.36Å; A98-R306 VanDerWaalsContact O-NH2 3.16Å; L100-R306 HydrophobicContact CD1-CG 4.25Å; H197-R306 PolarHBondContact CE1-NH1 2.91Å; H197-R306 PolarHBondContact ND1-NE 2.86Å; V295-R306 HydrophobicContact CG1-CB 4.33Å; V295-R306 HydrophobicContact CG2-CB 3.95Å; R306-E308 IonicContact CZ-OE2 2.63Å; R306-E308 IonicContact NH1-OE2 3.64Å; R306-E308 PolarHBondContact NH1-OE2 3.22Å; R306-E308 IonicContact NH2-OE2 2.76Å; R306-E308 PolarHBondContact NH2-OE2 3.09Å; R306-L313 HydrophobicContact CG-CB 4.17Å; R306-L313 HydrophobicContact CG-CD2 4.33Å; R306-L313 PolarHBondContact N-O 2.88Å; R306-L313 PolarHBondContact O-N 2.78Å
307	Q	98.8	Very high	98.5	Very high	22 Å²	22	24.5 Å²	24.5	10%	0.103	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.5	165	-176.8	164.2	-12.3	0	0	110.3	V286 E292 L293 R309	V286-Q307 HydrophobicContact CG1-CG 3.98Å; E292-Q307 HydrophobicContact CG-CB 4.12Å; E292-Q307 HydrophobicContact CG-CG 4.41Å; L293-Q307 HydrophobicContact CB-CB 4.31Å; Q307-R309 VanDerWaalsContact CG-O 3.23Å; Q307-R309 WeakPolarHBondContact CG-O 3.38Å; Q307-R309 PolarHBondContact NE2-O 2.88Å
308	E	98.2	Very high	98.4	Very high	47 Å²	47	23 Å²	23	22%	0.22	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	102.1	171.3	172.9	56.1	-135.7	0	0	107.4	V279 R306 D310 G311 L313	V279-E308 HydrophobicContact CG1-CG 3.94Å; R306-E308 IonicContact CZ-OE2 2.63Å; R306-E308 IonicContact NH1-OE2 3.64Å; R306-E308 PolarHBondContact NH1-OE2 3.22Å; R306-E308 IonicContact NH2-OE2 2.76Å; R306-E308 PolarHBondContact NH2-OE2 3.09Å; E308-D310 PolarHBondContact O-N 2.87Å; E308-G311 PolarHBondContact N-O 3.21Å; E308-G311 CarbonylContact O-C 3.59Å; E308-G311 WeakPolarHBondContact O-CA 3.45Å; E308-G311 PolarHBondContact O-N 2.86Å; E308-L313 HydrophobicContact CB-CB 3.94Å
309	R	97.1	Very high	98.3	Very high	208 Å²	208	27 Å²	27	79%	0.785	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-124.7	-170.5	-50.7	166.9	-167.9	-158.3	-5	110.3	Q307 G311	Q307-R309 VanDerWaalsContact CG-O 3.23Å; Q307-R309 WeakPolarHBondContact CG-O 3.38Å; Q307-R309 PolarHBondContact NE2-O 2.88Å; R309-G311 VanDerWaalsContact C-N 3.31Å
310	D	98.4	Very high	98.2	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.3	173.6	-59.8	-22.2	0	0	0	112.8	T282 V283 K287 E308	T282-D310 WeakPolarHBondContact CA-O 3.37Å; T282-D310 HydrophobicContact CG2-CB 3.7Å; V283-D310 PolarHBondContact N-O 3.35Å; K287-D310 HydrophobicContact CB-CB 4.1Å; K287-D310 HydrophobicContact CD-CB 4.49Å; K287-D310 HydrophobicContact CG-CB 4.22Å; K287-D310 IonicContact NZ-OD2 2.64Å; K287-D310 PolarHBondContact NZ-OD2 3.43Å; E308-D310 PolarHBondContact O-N 2.87Å
311	G	98.6	Very high	98.1	Very high	2 Å²	2	33 Å²	33	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-166.1	-179.7	0	0	0	0	0	112.5	A281 E308 R309	A281-G311 WeakPolarHBondContact O-CA 3.26Å; E308-G311 PolarHBondContact N-O 3.21Å; E308-G311 CarbonylContact O-C 3.59Å; E308-G311 WeakPolarHBondContact O-CA 3.45Å; E308-G311 PolarHBondContact O-N 2.86Å; R309-G311 VanDerWaalsContact C-N 3.31Å
312	L	98.8	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.6	-178.1	-59.6	174.5	0	0	0	110.6	T280 V286 L293 L305 V361 V363 L364	T280-L312 HydrophobicContact CG2-CB 4.38Å; T280-L312 PolarHBondContact N-O 3.34Å; T280-L312 PolarHBondContact OG1-N 2.89Å; T280-L312 PolarHBondContact OG1-O 3.33Å; V286-L312 HydrophobicContact CG2-CD1 4.32Å; V286-L312 HydrophobicContact CG2-CD2 3.81Å; V286-L312 HydrophobicContact CG2-CG 4.03Å; L293-L312 HydrophobicContact CD1-CD2 3.89Å; L305-L312 HydrophobicContact CD2-CD2 4.27Å; L312-V361 HydrophobicContact CD1-CG1 4Å; L312-V363 HydrophobicContact CD1-CG2 4.04Å; L312-L364 HydrophobicContact CB-CD2 4.12Å; L312-L364 HydrophobicContact CD1-CD2 3.65Å; L312-L364 HydrophobicContact CD1-CG 4.06Å; L312-L364 HydrophobicContact CG-CD2 4.49Å
313	L	98.8	Very high	98.1	Very high	3 Å²	3	36 Å²	36	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.6	170.9	180	161.9	0	0	0	108.3	A98 Y277 V278 V279 Y304 L305 R306 E308	A98-L313 HydrophobicContact CB-CD2 3.92Å; Y277-L313 HydrophobicContact CD2-CD1 3.64Å; Y277-L313 HydrophobicContact CD2-CD2 3.84Å; Y277-L313 HydrophobicContact CD2-CG 3.6Å; Y277-L313 HydrophobicContact CE2-CD1 3.48Å; Y277-L313 VanDerWaalsContact CE2-CD1 3.48Å; Y277-L313 HydrophobicContact CE2-CD2 4.44Å; Y277-L313 HydrophobicContact CE2-CG 4.01Å; Y277-L313 HydrophobicContact CG-CD2 4.07Å; Y277-L313 HydrophobicContact CG-CG 4.34Å; V278-L313 CarbonylContact O-C 3.56Å; V278-L313 VanDerWaalsContact O-CA 3.3Å; V278-L313 WeakPolarHBondContact O-CA 3.28Å; V279-L313 HydrophobicContact CG2-CB 4.47Å; V279-L313 HydrophobicContact CG2-CD1 3.97Å; V279-L313 HydrophobicContact CG2-CG 4.06Å; Y304-L313 HydrophobicContact CE2-CD2 3.91Å; L305-L313 CarbonylContact C-O 3.44Å; L305-L313 VanDerWaalsContact CA-O 3.25Å; L305-L313 WeakPolarHBondContact CA-O 3.37Å; R306-L313 HydrophobicContact CG-CB 4.17Å; R306-L313 HydrophobicContact CG-CD2 4.33Å; R306-L313 PolarHBondContact N-O 2.88Å; R306-L313 PolarHBondContact O-N 2.78Å; E308-L313 HydrophobicContact CB-CB 3.94Å
314	F	98.6	Very high	98.1	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.1	175	69.5	-83.5	0	0	0	113.3	Y277 V278 Y303 Y304 L305 V354 A357 L364	Y277-F314 CarbonylContact C-O 3.59Å; Y277-F314 WeakPolarHBondContact CA-O 3.48Å; Y277-F314 WeakPolarHBondContact CB-O 3.44Å; V278-F314 HydrophobicContact CB-CD1 4.16Å; V278-F314 HydrophobicContact CB-CE1 3.68Å; V278-F314 HydrophobicContact CB-CE2 4.21Å; V278-F314 HydrophobicContact CB-CZ 3.7Å; V278-F314 HydrophobicContact CG1-CE1 3.79Å; V278-F314 HydrophobicContact CG1-CZ 3.94Å; V278-F314 HydrophobicContact CG2-CE1 4.43Å; V278-F314 HydrophobicContact CG2-CE2 4.16Å; V278-F314 HydrophobicContact CG2-CZ 3.94Å; V278-F314 PolarHBondContact N-O 3.06Å; V278-F314 PolarHBondContact O-N 3.29Å; Y303-F314 HydrophobicContact CD2-CB 4.34Å; Y304-F314 CarbonylContact O-C 3.59Å; Y304-F314 WeakPolarHBondContact O-CA 3.35Å; Y304-F314 WeakPolarHBondContact O-CB 3.4Å; L305-F314 HydrophobicContact CB-CB 3.76Å; L305-F314 HydrophobicContact CD1-CB 3.96Å; L305-F314 HydrophobicContact CG-CB 3.96Å; F314-V354 HydrophobicContact CE2-CB 4.42Å; F314-V354 HydrophobicContact CE2-CG1 4.43Å; F314-V354 HydrophobicContact CE2-CG2 4.04Å; F314-V354 HydrophobicContact CZ-CG1 4.08Å; F314-V354 HydrophobicContact CZ-CG2 4.28Å; F314-A357 HydrophobicContact CD2-CB 4.07Å; F314-A357 HydrophobicContact CE2-CB 4.13Å; F314-L364 HydrophobicContact CD1-CD1 4.36Å; F314-L364 HydrophobicContact CD1-CD2 4.38Å; F314-L364 HydrophobicContact CE1-CD1 4.35Å; F314-L364 HydrophobicContact CE1-CD2 4.24Å
315	G	98.6	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.8	-178.3	0	0	0	0	0	111.6	Y303 Y304	Y303-G315 WeakPolarHBondContact CA-O 2.97Å; Y304-G315 WeakPolarHBondContact CD1-O 3.42Å; Y304-G315 VanDerWaalsContact CE1-O 3.29Å; Y304-G315 WeakPolarHBondContact CE1-O 3.35Å; Y304-G315 PolarHBondContact N-O 3.38Å; Y304-G315 PolarHBondContact O-N 2.95Å
316	P	98.5	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	155	174.9	32.4	-32.9	0	0	0	112.6	H275 S302 I350 H353	H275-P316 PolarHBondContact CE1-O 2.68Å; H275-P316 PolarHBondContact ND1-O 2.79Å; S302-P316 WeakPolarHBondContact O-CA 3.33Å; P316-I350 HydrophobicContact CG-CB 3.79Å; P316-I350 HydrophobicContact CG-CD1 3.86Å; P316-I350 HydrophobicContact CG-CG1 4.37Å; P316-I350 HydrophobicContact CG-CG2 3.96Å; P316-H353 HydrophobicContact CB-CB 3.46Å; P316-H353 VanDerWaalsContact CB-CB 3.46Å; P316-H353 HydrophobicContact CG-CB 4.23Å
317	Y	98.6	Very high	97.6	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.031	20%	0.199	C	C	.	.			trans	-109.5	96.8	162.3	-70.3	-89.9	0	0	0	107.5	S302 Y304 Y404 Y454 N457	S302-Y317 PolarHBondContact O-N 2.84Å; S302-Y317 PolarHBondContact OG-O 2.75Å; Y304-Y317 AromaticContact CD1-CE2 3.86Å; Y304-Y317 HydrophobicContact CD1-CE2 3.86Å; Y304-Y317 AromaticContact CE1-CE2 3.95Å; Y304-Y317 HydrophobicContact CE1-CE2 3.95Å; Y317-Y404 WeakPolarHBondContact OH-CE1 3.19Å; Y317-Y454 HydrophobicContact CD1-CD2 4.02Å; Y317-Y454 HydrophobicContact CD1-CE1 4.24Å; Y317-Y454 AromaticContact CD1-CE2 3.7Å; Y317-Y454 HydrophobicContact CD1-CE2 3.7Å; Y317-Y454 HydrophobicContact CD1-CG 4.43Å; Y317-Y454 AromaticContact CD1-CZ 3.82Å; Y317-Y454 HydrophobicContact CE1-CD2 4.38Å; Y317-Y454 HydrophobicContact CE1-CE2 4.06Å; Y317-N457 HydrophobicContact CD1-CB 3.58Å; Y317-N457 HydrophobicContact CD2-CB 4Å; Y317-N457 WeakPolarHBondContact CD2-OD1 3.42Å; Y317-N457 HydrophobicContact CE1-CB 4.05Å; Y317-N457 VanDerWaalsContact CE1-CG 3.49Å; Y317-N457 VanDerWaalsContact CE1-ND2 3.33Å; Y317-N457 WeakPolarHBondContact CE1-ND2 3.41Å; Y317-N457 HydrophobicContact CE2-CB 4.4Å; Y317-N457 WeakPolarHBondContact CE2-OD1 3.47Å; Y317-N457 HydrophobicContact CG-CB 3.54Å
318	E	98.1	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.			trans	-69.5	156.1	179.9	71.9	-82.2	-160.1	0	0	113.1	K322 M323 R349 I350 Y454	E318-K322 HydrophobicContact CB-CB 4.32Å; E318-K322 HydrophobicContact CG-CB 3.99Å; E318-M323 HydrophobicContact CG-CB 3.95Å; E318-R349 IonicContact OE1-CZ 3.35Å; E318-R349 IonicContact OE1-NE 3.12Å; E318-R349 PolarHBondContact OE1-NE 2.69Å; E318-R349 IonicContact OE1-NH2 2.76Å; E318-R349 PolarHBondContact OE1-NH2 3.31Å; E318-I350 HydrophobicContact CB-CG2 4.2Å; E318-I350 HydrophobicContact CG-CG2 4.31Å; E318-Y454 HydrophobicContact CG-CE1 4.19Å; E318-Y454 WeakPolarHBondContact OE2-CE1 3.19Å; E318-Y454 VanDerWaalsContact OE2-CZ 3.32Å; E318-Y454 PolarHBondContact OE2-OH 2.93Å
319	K	96.4	Very high	97.4	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	20%	0.199	S	C	.	.			trans	-58	154.6	-174.6	-60.1	173.6	-177.6	159.9	0	112.5	E321 K322 M323 E352	K319-E321 VanDerWaalsContact CB-OE2 3.31Å; K319-E321 WeakPolarHBondContact CB-OE2 3.24Å; K319-E321 PolarHBondContact O-N 2.71Å; K319-K322 PolarHBondContact O-N 3.38Å; K319-M323 PolarHBondContact O-N 3.15Å; K319-E352 VanDerWaalsContact NZ-CD 3.26Å; K319-E352 IonicContact NZ-OE1 2.73Å; K319-E352 PolarHBondContact NZ-OE1 3.23Å; K319-E352 IonicContact NZ-OE2 2.71Å; K319-E352 PolarHBondContact NZ-OE2 3.45Å
320	M	95.5	Very high	97.3	Very high	76 Å²	76	33.3 Å²	33.3	37%	0.374	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.3	-172.4	70.4	173.5	-177.1	0	0	113.9	R451	M320-R451 HydrophobicContact CB-CG 4.09Å; M320-R451 WeakPolarHBondContact O-CD 3.47Å; M320-R451 WeakPolarHBondContact O-CG 3.21Å; M320-R451 PolarHBondContact O-NH1 2.85Å
321	E	96.4	Very high	97	Very high	132 Å²	132	38.6 Å²	38.6	62%	0.617	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-26.9	175.6	-52.5	76.9	-170	0	0	112.5	K319	K319-E321 VanDerWaalsContact CB-OE2 3.31Å; K319-E321 WeakPolarHBondContact CB-OE2 3.24Å; K319-E321 PolarHBondContact O-N 2.71Å
322	K	97.8	Very high	96.9	Very high	76 Å²	76	43.8 Å²	43.8	33%	0.33	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-33.9	-177	-68	-177.4	166.8	-174.2	0	113.1	E318 K319 R349 E352	E318-K322 HydrophobicContact CB-CB 4.32Å; E318-K322 HydrophobicContact CG-CB 3.99Å; K319-K322 PolarHBondContact O-N 3.38Å; K322-R349 WeakPolarHBondContact CD-O 3.2Å; K322-R349 WeakPolarHBondContact O-CD 3.47Å; K322-E352 IonicContact NZ-OE2 2.72Å; K322-E352 PolarHBondContact NZ-OE2 3.27Å
323	M	97.8	Very high	96.7	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	22%	0.221	C	C	.	.			trans	-62.2	153.8	-173.1	73.3	76.8	66	0	0	113.4	V273 E318 K319 L325 R451 Y454	V273-M323 HydrophobicContact CB-CE 3.77Å; V273-M323 HydrophobicContact CG1-CE 3.72Å; E318-M323 HydrophobicContact CG-CB 3.95Å; K319-M323 PolarHBondContact O-N 3.15Å; M323-L325 HydrophobicContact CE-CB 4.31Å; M323-L325 HydrophobicContact SD-CB 4.48Å; M323-L325 HydrophobicContact SD-CD2 4.05Å; M323-L325 HydrophobicContact SD-CG 4.43Å; M323-R451 HydrophobicContact CG-CG 4.13Å; M323-R451 VanDerWaalsContact O-CZ 3.27Å; M323-R451 PolarHBondContact O-NH1 3.32Å; M323-R451 PolarHBondContact O-NH2 3.04Å; M323-R451 HydrophobicContact SD-CB 4Å; M323-R451 HydrophobicContact SD-CG 3.82Å; M323-Y454 HydrophobicContact CB-CD1 3.51Å; M323-Y454 HydrophobicContact CB-CE1 3.63Å; M323-Y454 HydrophobicContact CB-CG 4.35Å; M323-Y454 HydrophobicContact CE-CD1 4.08Å; M323-Y454 HydrophobicContact CE-CD2 4.16Å; M323-Y454 HydrophobicContact CE-CG 3.74Å; M323-Y454 HydrophobicContact CG-CD1 3.8Å; M323-Y454 HydrophobicContact CG-CE1 4.43Å; M323-Y454 HydrophobicContact CG-CG 4.34Å
324	V	98	Very high	96.7	Very high	51 Å²	51	45.2 Å²	45.2	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	-179.4	178.7	0	0	0	0	110.6	H274	H274-V324 HydrophobicContact CB-CB 3.97Å; H274-V324 HydrophobicContact CB-CG1 4.22Å; H274-V324 PolarHBondContact N-O 3.17Å
325	L	96.4	Very high	96.6	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152	176.7	54	81.4	0	0	0	110.3	I271 V273 M323 D327 R451	I271-L325 HydrophobicContact CD1-CB 4.21Å; I271-L325 HydrophobicContact CD1-CD1 3.76Å; I271-L325 HydrophobicContact CD1-CD2 4.43Å; I271-L325 HydrophobicContact CD1-CG 4.34Å; V273-L325 HydrophobicContact CG1-CB 4.22Å; M323-L325 HydrophobicContact CE-CB 4.31Å; M323-L325 HydrophobicContact SD-CB 4.48Å; M323-L325 HydrophobicContact SD-CD2 4.05Å; M323-L325 HydrophobicContact SD-CG 4.43Å; L325-D327 HydrophobicContact CD1-CB 3.81Å; L325-D327 PolarHBondContact O-N 3.06Å; L325-R451 HydrophobicContact CD2-CB 3.98Å
326	Q	97.3	Very high	96.3	Very high	25 Å²	25	53.2 Å²	53.2	12%	0.117	28%	0.276	C	S	.	.			trans	-91.5	67.4	-176	-54	-56.8	108.4	0	0	110.8	P272 S328 W329 V330 F343	P272-Q326 HydrophobicContact CB-CB 3.96Å; P272-Q326 HydrophobicContact CB-CG 3.91Å; P272-Q326 HydrophobicContact CG-CB 3.93Å; P272-Q326 HydrophobicContact CG-CG 4.37Å; P272-Q326 PolarHBondContact O-N 3.3Å; Q326-S328 PolarHBondContact O-N 2.9Å; Q326-W329 HydrophobicContact CB-CB 3.86Å; Q326-W329 HydrophobicContact CB-CD2 3.89Å; Q326-W329 HydrophobicContact CB-CE3 4.34Å; Q326-W329 HydrophobicContact CB-CG 3.67Å; Q326-W329 HydrophobicContact CG-CD2 4.04Å; Q326-W329 HydrophobicContact CG-CE3 4.31Å; Q326-W329 HydrophobicContact CG-CG 4.31Å; Q326-W329 PolarHBondContact O-N 2.76Å; Q326-W329 VanDerWaalsContact O-N 3.11Å; Q326-V330 PolarHBondContact O-N 2.67Å; Q326-F343 HydrophobicContact CG-CE2 4.41Å; Q326-F343 HydrophobicContact CG-CZ 3.77Å
327	D	92.9	Very high	96	Very high	83 Å²	83	56.7 Å²	56.7	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-34	172.4	70.9	-35.1	0	0	0	111.8	L325 W329 V330 R331	L325-D327 HydrophobicContact CD1-CB 3.81Å; L325-D327 PolarHBondContact O-N 3.06Å; D327-W329 VanDerWaalsContact C-N 3.3Å; D327-W329 PolarHBondContact O-N 3.42Å; D327-V330 WeakPolarHBondContact O-CB 3.2Å; D327-V330 PolarHBondContact O-N 2.96Å; D327-V330 VanDerWaalsContact O-N 3.09Å; D327-R331 PolarHBondContact O-N 3.41Å
328	S	95.9	Very high	96	Very high	33 Å²	33	56.7 Å²	56.7	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-53.3	-43.6	168.5	56.2	0	0	0	0	112.2	Q326 V330 R331 D332	Q326-S328 PolarHBondContact O-N 2.9Å; S328-V330 VanDerWaalsContact C-N 3.3Å; S328-V330 PolarHBondContact O-N 3.09Å; S328-R331 PolarHBondContact O-N 3.28Å; S328-D332 WeakPolarHBondContact O-CB 3.36Å; S328-D332 PolarHBondContact O-N 3.17Å
329	W	97.3	Very high	95.8	Very high	25 Å²	25	57.9 Å²	57.9	10%	0.095	32%	0.324	C	S	.	.	H	α-helix	trans	-72.4	-24.3	178.6	-64.2	12.3	0	0	0	112.6	F255 P272 Q326 D327 G333 V334 P335 F338 F343 P376	F255-W329 HydrophobicContact CD2-CE3 4.29Å; F255-W329 AromaticContact CD2-CZ3 3.75Å; F255-W329 HydrophobicContact CD2-CZ3 3.75Å; F255-W329 AromaticContact CE2-CZ3 3.89Å; F255-W329 HydrophobicContact CE2-CZ3 3.89Å; F255-W329 HydrophobicContact CG-CZ3 4.26Å; P272-W329 HydrophobicContact CB-CE3 4.12Å; P272-W329 HydrophobicContact CB-CZ3 4.46Å; P272-W329 HydrophobicContact CG-CB 4.29Å; P272-W329 HydrophobicContact CG-CD2 4.4Å; P272-W329 HydrophobicContact CG-CE3 3.65Å; P272-W329 HydrophobicContact CG-CZ3 4.4Å; Q326-W329 HydrophobicContact CB-CB 3.86Å; Q326-W329 HydrophobicContact CB-CD2 3.89Å; Q326-W329 HydrophobicContact CB-CE3 4.34Å; Q326-W329 HydrophobicContact CB-CG 3.67Å; Q326-W329 HydrophobicContact CG-CD2 4.04Å; Q326-W329 HydrophobicContact CG-CE3 4.31Å; Q326-W329 HydrophobicContact CG-CG 4.31Å; Q326-W329 PolarHBondContact O-N 2.76Å; Q326-W329 VanDerWaalsContact O-N 3.11Å; D327-W329 VanDerWaalsContact C-N 3.3Å; D327-W329 PolarHBondContact O-N 3.42Å; W329-G333 WeakPolarHBondContact CA-O 3.31Å; W329-G333 CarbonylContact O-C 3.55Å; W329-G333 VanDerWaalsContact O-CA 3.3Å; W329-G333 WeakPolarHBondContact O-CA 3.29Å; W329-G333 PolarHBondContact O-N 3.27Å; W329-V334 HydrophobicContact CB-CG2 4.4Å; W329-V334 HydrophobicContact CD2-CG1 4.24Å; W329-V334 HydrophobicContact CD2-CG2 4.36Å; W329-V334 HydrophobicContact CE3-CB 4.27Å; W329-V334 HydrophobicContact CE3-CG1 3.8Å; W329-V334 HydrophobicContact CE3-CG2 3.85Å; W329-V334 HydrophobicContact CH2-CG1 4.27Å; W329-V334 HydrophobicContact CZ3-CG1 3.84Å; W329-P335 HydrophobicContact CZ2-CG 4.38Å; W329-F338 AromaticContact CH2-CD1 3.93Å; W329-F338 HydrophobicContact CH2-CD1 3.93Å; W329-F338 AromaticContact CH2-CD2 3.93Å; W329-F338 HydrophobicContact CH2-CD2 3.93Å; W329-F338 AromaticContact CH2-CE1 3.81Å; W329-F338 HydrophobicContact CH2-CE1 3.81Å; W329-F338 AromaticContact CH2-CE2 3.81Å; W329-F338 HydrophobicContact CH2-CE2 3.81Å; W329-F338 HydrophobicContact CH2-CG 4Å; W329-F338 AromaticContact CH2-CZ 3.76Å; W329-F338 HydrophobicContact CH2-CZ 3.76Å; W329-F338 HydrophobicContact CZ2-CD2 4.05Å; W329-F338 HydrophobicContact CZ2-CE2 4.04Å; W329-F338 HydrophobicContact CZ2-CG 4.43Å; W329-F338 HydrophobicContact CZ2-CZ 4.42Å; W329-F343 AromaticContact CH2-CE1 3.89Å; W329-F343 HydrophobicContact CH2-CE1 3.89Å; W329-F343 AromaticContact CH2-CZ 3.84Å; W329-F343 HydrophobicContact CH2-CZ 3.84Å; W329-F343 AromaticContact CZ2-CE1 3.63Å; W329-F343 HydrophobicContact CZ2-CE1 3.63Å; W329-F343 AromaticContact CZ2-CZ 3.95Å; W329-F343 HydrophobicContact CZ2-CZ 3.95Å; W329-F343 HydrophobicContact CZ3-CZ 4.48Å; W329-P376 HydrophobicContact CH2-CB 4.47Å; W329-P376 HydrophobicContact CH2-CG 4.3Å; W329-P376 HydrophobicContact CZ3-CB 4.17Å; W329-P376 HydrophobicContact CZ3-CG 4.32Å
330	V	94.1	Very high	95.6	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-74.9	-29.5	173.1	171	0	0	0	0	112.1	I271 Q326 D327 S328 V443 M446	I271-V330 HydrophobicContact CB-CG2 4.07Å; I271-V330 HydrophobicContact CD1-CG2 3.91Å; I271-V330 HydrophobicContact CG1-CG2 3.69Å; Q326-V330 PolarHBondContact O-N 2.67Å; D327-V330 WeakPolarHBondContact O-CB 3.2Å; D327-V330 PolarHBondContact O-N 2.96Å; D327-V330 VanDerWaalsContact O-N 3.09Å; S328-V330 VanDerWaalsContact C-N 3.3Å; S328-V330 PolarHBondContact O-N 3.09Å; V330-V443 HydrophobicContact CG1-CG1 3.79Å; V330-V443 HydrophobicContact CG1-CG2 3.89Å; V330-M446 HydrophobicContact CB-CE 4.41Å; V330-M446 HydrophobicContact CG1-CE 3.64Å; V330-M446 HydrophobicContact CG2-CE 3.84Å
331	R	93.3	Very high	95.6	Very high	163 Å²	163	58.4 Å²	58.4	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-90.2	-49.6	-178	-177.5	-172.8	62.8	-128.3	-3.2	113.3	D327 S328	D327-R331 PolarHBondContact O-N 3.41Å; S328-R331 PolarHBondContact O-N 3.28Å
332	D	95.6	Very high	95.7	Very high	111 Å²	111	54.7 Å²	54.7	59%	0.594	31%	0.309	S	S	*	.	H	α-helix	trans	-104.1	-11.1	-168.6	-49.4	-36.1	0	0	0	112.8	S328	S328-D332 WeakPolarHBondContact O-CB 3.36Å; S328-D332 PolarHBondContact O-N 3.17Å
333	G	96	Very high	95.7	Very high	24 Å²	24	52.9 Å²	52.9	25%	0.247	30%	0.302	C	S	.	.			trans	90.9	164.7	-169.5	0	0	0	0	0	113.2	E259 W329	E259-G333 WeakPolarHBondContact OE1-CA 3.18Å; W329-G333 WeakPolarHBondContact CA-O 3.31Å; W329-G333 CarbonylContact O-C 3.55Å; W329-G333 VanDerWaalsContact O-CA 3.3Å; W329-G333 WeakPolarHBondContact O-CA 3.29Å; W329-G333 PolarHBondContact O-N 3.27Å
334	V	97.6	Very high	95.6	Very high	10 Å²	10	61.3 Å²	61.3	6%	0.061	34%	0.341	C	S	.	.			trans	-72.3	134.2	172.6	-175.8	0	0	0	0	108.6	F255 W256 E259 W329 P336 F338	F255-V334 HydrophobicContact CD2-CG1 3.98Å; F255-V334 HydrophobicContact CD2-CG2 4.16Å; F255-V334 HydrophobicContact CE2-CG1 3.99Å; W256-V334 HydrophobicContact CZ2-CG1 4.41Å; E259-V334 WeakPolarHBondContact OE1-CB 3.38Å; E259-V334 PolarHBondContact OE1-N 3.05Å; W329-V334 HydrophobicContact CB-CG2 4.4Å; W329-V334 HydrophobicContact CD2-CG1 4.24Å; W329-V334 HydrophobicContact CD2-CG2 4.36Å; W329-V334 HydrophobicContact CE3-CB 4.27Å; W329-V334 HydrophobicContact CE3-CG1 3.8Å; W329-V334 HydrophobicContact CE3-CG2 3.85Å; W329-V334 HydrophobicContact CH2-CG1 4.27Å; W329-V334 HydrophobicContact CZ3-CG1 3.84Å; V334-P336 WeakPolarHBondContact O-CD 3.48Å; V334-P336 VanDerWaalsContact O-N 3.14Å; V334-F338 HydrophobicContact CG1-CB 4.33Å
335	P	97.7	Very high	95.6	Very high	58 Å²	58	62 Å²	62	38%	0.377	35%	0.348	S	S	.	.			trans	-51.8	121.1	176.8	-28.4	35.6	0	0	0	111.4	W329 G337 F338	W329-P335 HydrophobicContact CZ2-CG 4.38Å; P335-G337 PolarHBondContact O-N 2.91Å; P335-F338 HydrophobicContact CB-CB 4.45Å; P335-F338 VanDerWaalsContact O-CB 3.29Å; P335-F338 WeakPolarHBondContact O-CB 3.45Å; P335-F338 PolarHBondContact O-N 3.42Å
336	P	90.6	Very high	95.6	Very high	116 Å²	116	63.8 Å²	63.8	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.9	-167.2	-30.9	36.4	0	0	0	115.3	K86 V334	K86-P336 WeakPolarHBondContact CE-O 3.3Å; K86-P336 PolarHBondContact NZ-O 3.24Å; V334-P336 WeakPolarHBondContact O-CD 3.48Å; V334-P336 VanDerWaalsContact O-N 3.14Å
337	G	93.5	Very high	95.6	Very high	73 Å²	73	64.6 Å²	64.6	75%	0.753	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20	176.5	0	0	0	0	0	115.1	P335	P335-G337 PolarHBondContact O-N 2.91Å
338	F	97.1	Very high	95.8	Very high	7 Å²	7	66.8 Å²	66.8	3%	0.031	37%	0.374	C	S	.	.			trans	-59.8	139.2	-171	-161.9	-86.7	0	0	0	111.9	K86 F255 W256 W329 V334 P335 E341 F343 P376	K86-F338 PolarHBondContact NZ-O 3.24Å; F255-F338 AromaticContact CE2-CD1 3.79Å; F255-F338 HydrophobicContact CE2-CD1 3.79Å; F255-F338 HydrophobicContact CE2-CE1 4.16Å; F255-F338 AromaticContact CZ-CD1 3.72Å; F255-F338 HydrophobicContact CZ-CD1 3.72Å; F255-F338 AromaticContact CZ-CE1 3.72Å; F255-F338 HydrophobicContact CZ-CE1 3.72Å; W256-F338 VanDerWaalsContact CZ2-O 3.27Å; W256-F338 WeakPolarHBondContact CZ2-O 3.35Å; W329-F338 AromaticContact CH2-CD1 3.93Å; W329-F338 HydrophobicContact CH2-CD1 3.93Å; W329-F338 AromaticContact CH2-CD2 3.93Å; W329-F338 HydrophobicContact CH2-CD2 3.93Å; W329-F338 AromaticContact CH2-CE1 3.81Å; W329-F338 HydrophobicContact CH2-CE1 3.81Å; W329-F338 AromaticContact CH2-CE2 3.81Å; W329-F338 HydrophobicContact CH2-CE2 3.81Å; W329-F338 HydrophobicContact CH2-CG 4Å; W329-F338 AromaticContact CH2-CZ 3.76Å; W329-F338 HydrophobicContact CH2-CZ 3.76Å; W329-F338 HydrophobicContact CZ2-CD2 4.05Å; W329-F338 HydrophobicContact CZ2-CE2 4.04Å; W329-F338 HydrophobicContact CZ2-CG 4.43Å; W329-F338 HydrophobicContact CZ2-CZ 4.42Å; V334-F338 HydrophobicContact CG1-CB 4.33Å; P335-F338 HydrophobicContact CB-CB 4.45Å; P335-F338 VanDerWaalsContact O-CB 3.29Å; P335-F338 WeakPolarHBondContact O-CB 3.45Å; P335-F338 PolarHBondContact O-N 3.42Å; F338-E341 HydrophobicContact CD1-CB 4.4Å; F338-E341 HydrophobicContact CD2-CB 3.86Å; F338-E341 HydrophobicContact CD2-CG 3.86Å; F338-E341 WeakPolarHBondContact CD2-OE1 3.17Å; F338-E341 VanDerWaalsContact CD2-OE2 3.3Å; F338-E341 WeakPolarHBondContact CD2-OE2 3.48Å; F338-E341 HydrophobicContact CE1-CB 4.17Å; F338-E341 HydrophobicContact CE2-CB 3.61Å; F338-E341 VanDerWaalsContact CE2-CD 3.45Å; F338-E341 HydrophobicContact CE2-CG 3.56Å; F338-E341 HydrophobicContact CG-CB 4.25Å; F338-E341 HydrophobicContact CZ-CB 3.77Å; F338-E341 HydrophobicContact CZ-CG 4.17Å; F338-E341 WeakPolarHBondContact CZ-O 3.16Å; F338-F343 HydrophobicContact CE2-CE1 4.39Å; F338-F343 HydrophobicContact CZ-CE1 4.48Å; F338-P376 HydrophobicContact CE1-CG 3.94Å; F338-P376 HydrophobicContact CZ-CG 4.08Å
339	G	93.8	Very high	95.9	Very high	25 Å²	25	66.4 Å²	66.4	26%	0.258	37%	0.368	S	S	.	.	S	Bend	trans	157.5	133.1	-180	0	0	0	0	0	111	E341	G339-E341 PolarHBondContact O-N 3.44Å
340	K	93.9	Very high	96	Very high	86 Å²	86	65.2 Å²	65.2	37%	0.374	36%	0.363	S	S	.	.	S	Bend	trans	51.3	32.4	-164.9	-75.9	-168.5	178.2	167.6	0	114.3	E88 A91 W95	E88-K340 WeakPolarHBondContact OE1-CD 3.27Å; E88-K340 WeakPolarHBondContact OE1-CE 3.22Å; E88-K340 IonicContact OE1-NZ 2.75Å; E88-K340 PolarHBondContact OE1-NZ 2.89Å; E88-K340 WeakPolarHBondContact OE2-CE 3.49Å; E88-K340 IonicContact OE2-NZ 3.56Å; E88-K340 PolarHBondContact OE2-NZ 3.31Å; A91-K340 HydrophobicContact CB-CG 4.27Å; A91-K340 PolarHBondContact O-N 3.39Å; W95-K340 HydrophobicContact CG-CG 4.31Å
341	E	95.6	Very high	96.2	Very high	94 Å²	94	67.5 Å²	67.5	44%	0.439	37%	0.374	S	S	.	.			trans	-116.1	154.9	-176.8	-168.4	179.4	149.2	0	0	110.1	F338 G339	F338-E341 HydrophobicContact CD1-CB 4.4Å; F338-E341 HydrophobicContact CD2-CB 3.86Å; F338-E341 HydrophobicContact CD2-CG 3.86Å; F338-E341 WeakPolarHBondContact CD2-OE1 3.17Å; F338-E341 VanDerWaalsContact CD2-OE2 3.3Å; F338-E341 WeakPolarHBondContact CD2-OE2 3.48Å; F338-E341 HydrophobicContact CE1-CB 4.17Å; F338-E341 HydrophobicContact CE2-CB 3.61Å; F338-E341 VanDerWaalsContact CE2-CD 3.45Å; F338-E341 HydrophobicContact CE2-CG 3.56Å; F338-E341 HydrophobicContact CG-CB 4.25Å; F338-E341 HydrophobicContact CZ-CB 3.77Å; F338-E341 HydrophobicContact CZ-CG 4.17Å; F338-E341 WeakPolarHBondContact CZ-O 3.16Å; G339-E341 PolarHBondContact O-N 3.44Å
342	L	97.3	Very high	96.4	Very high	53 Å²	53	62.6 Å²	62.6	28%	0.277	36%	0.358	S	S	.	.			trans	-126.2	158.4	177.3	-66.6	177.4	0	0	0	109.5	W95 H96 V373 S374	W95-L342 HydrophobicContact CH2-CD1 3.86Å; W95-L342 HydrophobicContact CH2-CD2 3.92Å; W95-L342 HydrophobicContact CH2-CG 3.66Å; W95-L342 HydrophobicContact CZ2-CD1 4.43Å; W95-L342 HydrophobicContact CZ2-CD2 3.7Å; W95-L342 HydrophobicContact CZ2-CG 3.74Å; H96-L342 HydrophobicContact CB-CD2 3.81Å; L342-V373 HydrophobicContact CD1-CG1 4.01Å; L342-V373 HydrophobicContact CD2-CG1 3.94Å; L342-S374 WeakPolarHBondContact CB-O 3.36Å
343	F	97.4	Very high	96.5	Very high	39 Å²	39	57.5 Å²	57.5	17%	0.171	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-74.9	162.8	166.5	-56.6	-50.9	0	0	0	110.9	H274 Q326 W329 F338 S374 P376	H274-F343 HydrophobicContact CB-CD2 4.12Å; H274-F343 HydrophobicContact CB-CE2 4.16Å; H274-F343 AromaticContact CD2-CD2 3.79Å; H274-F343 AromaticContact CG-CD2 3.69Å; H274-F343 AromaticContact ND1-CD2 3.93Å; Q326-F343 HydrophobicContact CG-CE2 4.41Å; Q326-F343 HydrophobicContact CG-CZ 3.77Å; W329-F343 AromaticContact CH2-CE1 3.89Å; W329-F343 HydrophobicContact CH2-CE1 3.89Å; W329-F343 AromaticContact CH2-CZ 3.84Å; W329-F343 HydrophobicContact CH2-CZ 3.84Å; W329-F343 AromaticContact CZ2-CE1 3.63Å; W329-F343 HydrophobicContact CZ2-CE1 3.63Å; W329-F343 AromaticContact CZ2-CZ 3.95Å; W329-F343 HydrophobicContact CZ2-CZ 3.95Å; W329-F343 HydrophobicContact CZ3-CZ 4.48Å; F338-F343 HydrophobicContact CE2-CE1 4.39Å; F338-F343 HydrophobicContact CZ-CE1 4.48Å; F343-S374 PolarHBondContact N-O 2.65Å; F343-S374 WeakPolarHBondContact O-CB 3.47Å; F343-P376 HydrophobicContact CE2-CB 3.76Å; F343-P376 HydrophobicContact CE2-CG 4.1Å; F343-P376 HydrophobicContact CZ-CB 3.81Å; F343-P376 HydrophobicContact CZ-CG 4.05Å
344	E	97.1	Very high	96.6	Very high	180 Å²	180	57 Å²	57	84%	0.841	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-62.3	142.3	166	-172.9	168.9	-163	0	0	110.5
345	S	96.8	Very high	96.7	Very high	65 Å²	65	61.9 Å²	61.9	46%	0.455	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-80.3	130.2	-177.9	59.6	0	0	0	0	112.1	S374	S345-S374 WeakPolarHBondContact CA-OG 3.31Å
346	D	97.6	Very high	96.7	Very high	56 Å²	56	62 Å²	62	30%	0.299	34%	0.341	S	S	.	.			trans	-121.9	84.6	179	160.3	19.8	0	0	0	107.9	Q276 D348 R349	Q276-D346 PolarHBondContact NE2-O 2.87Å; D346-D348 VanDerWaalsContact C-N 3.31Å; D346-R349 WeakPolarHBondContact OD1-CB 3.24Å; D346-R349 PolarHBondContact OD1-N 3.44Å; D346-R349 WeakPolarHBondContact OD2-CB 3.43Å; D346-R349 WeakPolarHBondContact OD2-CD 3.37Å; D346-R349 WeakPolarHBondContact OD2-CG 3.3Å; D346-R349 IonicContact OD2-CZ 2.68Å; D346-R349 IonicContact OD2-NE 2.7Å; D346-R349 IonicContact OD2-NH1 3.74Å; D346-R349 PolarHBondContact OD2-NH1 2.95Å
347	L	96.8	Very high	97.1	Very high	42 Å²	42	56.5 Å²	56.5	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-71.8	-29.9	-179.1	-170.3	63.8	0	0	0	111.3	V278 R349 I350 M351 V354 I369 V372	V278-L347 HydrophobicContact CG2-CD1 3.94Å; L347-R349 PolarHBondContact O-N 2.66Å; L347-I350 HydrophobicContact CD1-CD1 3.98Å; L347-I350 HydrophobicContact CD1-CG1 4.08Å; L347-I350 CarbonylContact O-C 3.51Å; L347-I350 WeakPolarHBondContact O-CG1 3.19Å; L347-I350 PolarHBondContact O-N 3Å; L347-M351 HydrophobicContact CB-CE 4.45Å; L347-M351 HydrophobicContact CD2-CE 4Å; L347-M351 HydrophobicContact CG-CE 3.76Å; L347-M351 PolarHBondContact O-N 2.86Å; L347-V354 HydrophobicContact CD1-CG2 4.09Å; L347-I369 HydrophobicContact CD1-CD1 4.47Å; L347-I369 HydrophobicContact CD2-CD1 3.87Å; L347-V372 HydrophobicContact CD1-CG2 4.39Å
348	D	97.9	Very high	97.3	Very high	130 Å²	130	55.5 Å²	55.5	70%	0.695	28%	0.282	S	S	*	.	H	α-helix	trans	-63.2	-43.1	-176.9	-73.7	-2.6	0	0	0	112.1	D346 I350 M351	D346-D348 VanDerWaalsContact C-N 3.31Å; D348-I350 PolarHBondContact O-N 2.83Å; D348-M351 WeakPolarHBondContact O-CB 3.45Å; D348-M351 PolarHBondContact O-N 2.77Å
349	R	97.9	Very high	97.3	Very high	24 Å²	24	59.2 Å²	59.2	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-28.4	177.9	84.4	167.8	-176.7	-90.3	-0.1	112.9	H274 E318 K322 D346 L347	H274-R349 PolarHBondContact CD2-NH2 2.88Å; H274-R349 PolarHBondContact CE1-NH1 2.94Å; H274-R349 VanDerWaalsContact CG-NH2 3.34Å; H274-R349 PolarHBondContact ND1-NH2 3Å; H274-R349 PolarHBondContact O-NH2 2.91Å; E318-R349 IonicContact OE1-CZ 3.35Å; E318-R349 IonicContact OE1-NE 3.12Å; E318-R349 PolarHBondContact OE1-NE 2.69Å; E318-R349 IonicContact OE1-NH2 2.76Å; E318-R349 PolarHBondContact OE1-NH2 3.31Å; K322-R349 WeakPolarHBondContact CD-O 3.2Å; K322-R349 WeakPolarHBondContact O-CD 3.47Å; D346-R349 WeakPolarHBondContact OD1-CB 3.24Å; D346-R349 PolarHBondContact OD1-N 3.44Å; D346-R349 WeakPolarHBondContact OD2-CB 3.43Å; D346-R349 WeakPolarHBondContact OD2-CD 3.37Å; D346-R349 WeakPolarHBondContact OD2-CG 3.3Å; D346-R349 IonicContact OD2-CZ 2.68Å; D346-R349 IonicContact OD2-NE 2.7Å; D346-R349 IonicContact OD2-NH1 3.74Å; D346-R349 PolarHBondContact OD2-NH1 2.95Å; L347-R349 PolarHBondContact O-N 2.66Å
350	I	98.1	Very high	97.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-96.9	-2.5	-179.3	64.8	171.2	0	0	0	114.1	Q276 V278 P316 E318 L347 D348 E352 H353 V354	Q276-I350 HydrophobicContact CB-CD1 4.23Å; V278-I350 HydrophobicContact CG2-CD1 4.23Å; P316-I350 HydrophobicContact CG-CB 3.79Å; P316-I350 HydrophobicContact CG-CD1 3.86Å; P316-I350 HydrophobicContact CG-CG1 4.37Å; P316-I350 HydrophobicContact CG-CG2 3.96Å; E318-I350 HydrophobicContact CB-CG2 4.2Å; E318-I350 HydrophobicContact CG-CG2 4.31Å; L347-I350 HydrophobicContact CD1-CD1 3.98Å; L347-I350 HydrophobicContact CD1-CG1 4.08Å; L347-I350 CarbonylContact O-C 3.51Å; L347-I350 WeakPolarHBondContact O-CG1 3.19Å; L347-I350 PolarHBondContact O-N 3Å; D348-I350 PolarHBondContact O-N 2.83Å; I350-E352 VanDerWaalsContact C-N 3.29Å; I350-E352 PolarHBondContact O-N 2.84Å; I350-E352 VanDerWaalsContact O-N 3.16Å; I350-H353 WeakPolarHBondContact O-CA 3.42Å; I350-H353 WeakPolarHBondContact O-CB 3.36Å; I350-H353 PolarHBondContact O-N 3.31Å; I350-V354 HydrophobicContact CG1-CG2 4.34Å; I350-V354 PolarHBondContact O-N 3.41Å
351	M	98	Very high	97.8	Very high	62 Å²	62	54.6 Å²	54.6	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-55.7	-38.8	-170.9	-161.6	66.3	69.3	0	0	113.8	L347 D348 H353 V354 E355	L347-M351 HydrophobicContact CB-CE 4.45Å; L347-M351 HydrophobicContact CD2-CE 4Å; L347-M351 HydrophobicContact CG-CE 3.76Å; L347-M351 PolarHBondContact O-N 2.86Å; D348-M351 WeakPolarHBondContact O-CB 3.45Å; D348-M351 PolarHBondContact O-N 2.77Å; M351-H353 PolarHBondContact O-N 2.92Å; M351-H353 VanDerWaalsContact O-N 3.13Å; M351-V354 WeakPolarHBondContact O-CA 3.36Å; M351-V354 WeakPolarHBondContact O-CB 3.43Å; M351-V354 PolarHBondContact O-N 3.11Å; M351-V354 HydrophobicContact SD-CB 4.19Å; M351-V354 HydrophobicContact SD-CG1 4.38Å; M351-V354 HydrophobicContact SD-CG2 4.44Å; M351-E355 WeakPolarHBondContact O-CG 3.4Å; M351-E355 PolarHBondContact O-N 3.32Å
352	E	98.1	Very high	97.9	Very high	59 Å²	59	53 Å²	53	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-52.3	-35.4	174.1	-177.8	179.5	-176.3	0	0	112.7	K319 K322 I350 M356	K319-E352 VanDerWaalsContact NZ-CD 3.26Å; K319-E352 IonicContact NZ-OE1 2.73Å; K319-E352 PolarHBondContact NZ-OE1 3.23Å; K319-E352 IonicContact NZ-OE2 2.71Å; K319-E352 PolarHBondContact NZ-OE2 3.45Å; K322-E352 IonicContact NZ-OE2 2.72Å; K322-E352 PolarHBondContact NZ-OE2 3.27Å; I350-E352 VanDerWaalsContact C-N 3.29Å; I350-E352 PolarHBondContact O-N 2.84Å; I350-E352 VanDerWaalsContact O-N 3.16Å; E352-M356 HydrophobicContact CG-CE 4.39Å; E352-M356 WeakPolarHBondContact O-CE 3.12Å; E352-M356 WeakPolarHBondContact O-CG 3.13Å; E352-M356 PolarHBondContact O-N 3.41Å
353	H	98.5	Very high	97.9	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.023	26%	0.264	C	S	.	.	H	α-helix	trans	-85.8	-26.7	177.7	-56.9	-93.4	0	0	0	112.5	G301 P316 I350 M351 M356 A357	G301-H353 PolarHBondContact O-ND1 3.08Å; P316-H353 HydrophobicContact CB-CB 3.46Å; P316-H353 VanDerWaalsContact CB-CB 3.46Å; P316-H353 HydrophobicContact CG-CB 4.23Å; I350-H353 WeakPolarHBondContact O-CA 3.42Å; I350-H353 WeakPolarHBondContact O-CB 3.36Å; I350-H353 PolarHBondContact O-N 3.31Å; M351-H353 PolarHBondContact O-N 2.92Å; M351-H353 VanDerWaalsContact O-N 3.13Å; H353-M356 HydrophobicContact CB-CE 4.38Å; H353-A357 WeakPolarHBondContact O-CB 3.36Å; H353-A357 PolarHBondContact O-N 2.91Å
354	V	98.3	Very high	98	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-42.6	170.2	-178.8	0	0	0	0	110	F314 L347 I350 M351 A357 M358	F314-V354 HydrophobicContact CE2-CB 4.42Å; F314-V354 HydrophobicContact CE2-CG1 4.43Å; F314-V354 HydrophobicContact CE2-CG2 4.04Å; F314-V354 HydrophobicContact CZ-CG1 4.08Å; F314-V354 HydrophobicContact CZ-CG2 4.28Å; L347-V354 HydrophobicContact CD1-CG2 4.09Å; I350-V354 HydrophobicContact CG1-CG2 4.34Å; I350-V354 PolarHBondContact O-N 3.41Å; M351-V354 WeakPolarHBondContact O-CA 3.36Å; M351-V354 WeakPolarHBondContact O-CB 3.43Å; M351-V354 PolarHBondContact O-N 3.11Å; M351-V354 HydrophobicContact SD-CB 4.19Å; M351-V354 HydrophobicContact SD-CG1 4.38Å; M351-V354 HydrophobicContact SD-CG2 4.44Å; V354-A357 PolarHBondContact O-N 3.3Å; V354-M358 HydrophobicContact CG1-CE 4.26Å; V354-M358 WeakPolarHBondContact O-CB 3.36Å; V354-M358 WeakPolarHBondContact O-CG 3.29Å; V354-M358 PolarHBondContact O-N 3Å
355	E	98.4	Very high	98.1	Very high	113 Å²	113	46.9 Å²	46.9	53%	0.528	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-47.1	175.1	-68.6	176	137.2	0	0	111.9	M351 A357 M358 D359	M351-E355 WeakPolarHBondContact O-CG 3.4Å; M351-E355 PolarHBondContact O-N 3.32Å; E355-A357 PolarHBondContact O-N 3.19Å; E355-M358 HydrophobicContact CG-CE 4.23Å; E355-M358 WeakPolarHBondContact O-CB 3.41Å; E355-M358 PolarHBondContact O-N 2.84Å; E355-D359 PolarHBondContact O-N 3.39Å
356	M	97.8	Very high	98.1	Very high	61 Å²	61	51.2 Å²	51.2	30%	0.3	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-40.9	175	-69.7	-172.9	-67.3	0	0	112.5	G301 E352 H353 M358 D359 M360	G301-M356 WeakPolarHBondContact O-CE 3.22Å; E352-M356 HydrophobicContact CG-CE 4.39Å; E352-M356 WeakPolarHBondContact O-CE 3.12Å; E352-M356 WeakPolarHBondContact O-CG 3.13Å; E352-M356 PolarHBondContact O-N 3.41Å; H353-M356 HydrophobicContact CB-CE 4.38Å; M356-M358 VanDerWaalsContact C-N 3.34Å; M356-M358 PolarHBondContact O-N 3.24Å; M356-D359 PolarHBondContact O-N 3.04Å; M356-M360 WeakPolarHBondContact O-CB 3.16Å; M356-M360 PolarHBondContact O-N 2.89Å
357	A	98.4	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-39.9	174.9	0	0	0	0	0	112.1	Y303 F314 H353 V354 E355 M360 V361 L364	Y303-A357 HydrophobicContact CD1-CB 4.18Å; Y303-A357 HydrophobicContact CD2-CB 4.25Å; Y303-A357 HydrophobicContact CE1-CB 3.83Å; Y303-A357 HydrophobicContact CE2-CB 3.91Å; Y303-A357 HydrophobicContact CG-CB 4.41Å; F314-A357 HydrophobicContact CD2-CB 4.07Å; F314-A357 HydrophobicContact CE2-CB 4.13Å; H353-A357 WeakPolarHBondContact O-CB 3.36Å; H353-A357 PolarHBondContact O-N 2.91Å; V354-A357 PolarHBondContact O-N 3.3Å; E355-A357 PolarHBondContact O-N 3.19Å; A357-M360 PolarHBondContact O-N 3.45Å; A357-V361 PolarHBondContact O-N 2.77Å; A357-L364 HydrophobicContact CB-CD1 4.1Å
358	M	98.6	Very high	98.2	Very high	53 Å²	53	53.5 Å²	53.5	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-37	174.2	-80.1	-167.7	-62	0	0	113.3	V354 E355 M356 V361 P362 L364 K365	V354-M358 HydrophobicContact CG1-CE 4.26Å; V354-M358 WeakPolarHBondContact O-CB 3.36Å; V354-M358 WeakPolarHBondContact O-CG 3.29Å; V354-M358 PolarHBondContact O-N 3Å; E355-M358 HydrophobicContact CG-CE 4.23Å; E355-M358 WeakPolarHBondContact O-CB 3.41Å; E355-M358 PolarHBondContact O-N 2.84Å; M356-M358 VanDerWaalsContact C-N 3.34Å; M356-M358 PolarHBondContact O-N 3.24Å; M358-V361 CarbonylContact O-C 3.45Å; M358-P362 WeakPolarHBondContact O-CA 3.39Å; M358-L364 HydrophobicContact CG-CB 3.86Å; M358-K365 HydrophobicContact CB-CG 3.74Å; M358-K365 HydrophobicContact CG-CG 4.06Å; M358-K365 WeakPolarHBondContact O-CE 3.49Å; M358-K365 HydrophobicContact SD-CG 4.04Å
359	D	97.9	Very high	98.2	Very high	84 Å²	84	51 Å²	51	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-72.7	-33.5	176.3	-92.8	0.4	0	0	0	113.2	N182 E355 M356 K365	N182-D359 WeakPolarHBondContact CB-O 3.39Å; N182-D359 PolarHBondContact ND2-O 3.44Å; E355-D359 PolarHBondContact O-N 3.39Å; M356-D359 PolarHBondContact O-N 3.04Å; D359-K365 WeakPolarHBondContact OD1-CE 3.28Å; D359-K365 IonicContact OD1-NZ 2.65Å; D359-K365 PolarHBondContact OD1-NZ 3.45Å
360	M	97.9	Very high	98.2	Very high	15 Å²	15	55.6 Å²	55.6	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-82.6	-29.7	179.1	-177.6	61.5	75.3	0	0	112.9	L181 N182 D298 Y303 M356 A357	L181-M360 HydrophobicContact CD1-CG 3.73Å; L181-M360 HydrophobicContact CD1-SD 3.79Å; L181-M360 HydrophobicContact CG-SD 4.06Å; N182-M360 WeakPolarHBondContact CB-O 3.5Å; N182-M360 PolarHBondContact N-O 2.74Å; D298-M360 WeakPolarHBondContact OD2-CE 3.43Å; Y303-M360 VanDerWaalsContact OH-CB 3.26Å; Y303-M360 WeakPolarHBondContact OH-CB 3.37Å; Y303-M360 VanDerWaalsContact OH-CG 3.24Å; Y303-M360 WeakPolarHBondContact OH-CG 3.11Å; M356-M360 WeakPolarHBondContact O-CB 3.16Å; M356-M360 PolarHBondContact O-N 2.89Å; A357-M360 PolarHBondContact O-N 3.45Å
361	V	98.4	Very high	98.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-128	82.6	175.7	-178.7	0	0	0	0	109.1	F178 L181 I296 L305 L312 A357 M358 V363 L364	F178-V361 HydrophobicContact CE1-CG1 4.11Å; F178-V361 HydrophobicContact CE1-CG2 3.96Å; F178-V361 HydrophobicContact CZ-CG1 4.38Å; F178-V361 HydrophobicContact CZ-CG2 4.22Å; L181-V361 HydrophobicContact CD1-CG2 3.97Å; I296-V361 HydrophobicContact CD1-CG2 3.94Å; L305-V361 HydrophobicContact CD1-CB 4.46Å; L305-V361 HydrophobicContact CD1-CG2 4.11Å; L312-V361 HydrophobicContact CD1-CG1 4Å; A357-V361 PolarHBondContact O-N 2.77Å; M358-V361 CarbonylContact O-C 3.45Å; V361-V363 HydrophobicContact CG1-CG2 3.73Å; V361-V363 PolarHBondContact O-N 2.96Å; V361-L364 HydrophobicContact CB-CD1 4.06Å; V361-L364 HydrophobicContact CB-CG 4.34Å; V361-L364 HydrophobicContact CG1-CD1 4.4Å; V361-L364 HydrophobicContact CG1-CG 4.22Å; V361-L364 WeakPolarHBondContact O-CB 3.45Å; V361-L364 PolarHBondContact O-N 2.87Å
362	P	98.4	Very high	98.1	Very high	60 Å²	60	57.5 Å²	57.5	39%	0.39	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-58.5	-20.2	-166.4	-29.6	37.5	0	0	0	116.7	N182 M358 L364 K365	N182-P362 HydrophobicContact CB-CG 4.21Å; M358-P362 WeakPolarHBondContact O-CA 3.39Å; P362-L364 PolarHBondContact O-N 2.93Å; P362-K365 WeakPolarHBondContact O-CB 3.46Å; P362-K365 PolarHBondContact O-N 2.92Å
363	V	98.5	Very high	98.1	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.097	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-66.1	-24.6	175.8	-63.3	0	0	0	0	112.8	L180 V283 E285 L312 V361 K365 K366	L180-V363 HydrophobicContact CD1-CG2 4.29Å; V283-V363 HydrophobicContact CG1-CB 3.82Å; V283-V363 HydrophobicContact CG1-CG2 3.98Å; E285-V363 HydrophobicContact CB-CG1 3.87Å; E285-V363 HydrophobicContact CG-CG1 3.84Å; L312-V363 HydrophobicContact CD1-CG2 4.04Å; V361-V363 HydrophobicContact CG1-CG2 3.73Å; V361-V363 PolarHBondContact O-N 2.96Å; V363-K365 PolarHBondContact O-N 3.36Å; V363-K366 PolarHBondContact O-N 2.96Å
364	L	98.6	Very high	98	Very high	10 Å²	10	55 Å²	55	5%	0.052	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.1	-27.3	174.6	-70.5	174.5	0	0	0	112.5	T280 L305 L312 F314 A357 M358 V361 P362 K366 A367	T280-L364 HydrophobicContact CG2-CD2 3.71Å; L305-L364 HydrophobicContact CD1-CD1 3.98Å; L312-L364 HydrophobicContact CB-CD2 4.12Å; L312-L364 HydrophobicContact CD1-CD2 3.65Å; L312-L364 HydrophobicContact CD1-CG 4.06Å; L312-L364 HydrophobicContact CG-CD2 4.49Å; F314-L364 HydrophobicContact CD1-CD1 4.36Å; F314-L364 HydrophobicContact CD1-CD2 4.38Å; F314-L364 HydrophobicContact CE1-CD1 4.35Å; F314-L364 HydrophobicContact CE1-CD2 4.24Å; A357-L364 HydrophobicContact CB-CD1 4.1Å; M358-L364 HydrophobicContact CG-CB 3.86Å; V361-L364 HydrophobicContact CB-CD1 4.06Å; V361-L364 HydrophobicContact CB-CG 4.34Å; V361-L364 HydrophobicContact CG1-CD1 4.4Å; V361-L364 HydrophobicContact CG1-CG 4.22Å; V361-L364 WeakPolarHBondContact O-CB 3.45Å; V361-L364 PolarHBondContact O-N 2.87Å; P362-L364 PolarHBondContact O-N 2.93Å; L364-K366 PolarHBondContact O-N 3.43Å; L364-A367 PolarHBondContact O-N 3.24Å
365	K	98.4	Very high	98	Very high	117 Å²	117	54.5 Å²	54.5	51%	0.509	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-64.4	-6.6	177.6	-63.6	-176	177.5	-172.7	0	114.4	M358 D359 P362 V363	M358-K365 HydrophobicContact CB-CG 3.74Å; M358-K365 HydrophobicContact CG-CG 4.06Å; M358-K365 WeakPolarHBondContact O-CE 3.49Å; M358-K365 HydrophobicContact SD-CG 4.04Å; D359-K365 WeakPolarHBondContact OD1-CE 3.28Å; D359-K365 IonicContact OD1-NZ 2.65Å; D359-K365 PolarHBondContact OD1-NZ 3.45Å; P362-K365 WeakPolarHBondContact O-CB 3.46Å; P362-K365 PolarHBondContact O-N 2.92Å; V363-K365 PolarHBondContact O-N 3.36Å
366	K	98	Very high	98	Very high	157 Å²	157	49.1 Å²	49.1	68%	0.683	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-123.6	3.1	176	-51	177.5	-163.5	157.1	0	113	E285 V363 L364	E285-K366 IonicContact OE1-NZ 3.49Å; E285-K366 PolarHBondContact OE1-NZ 2.95Å; E285-K366 VanDerWaalsContact OE1-NZ 3.15Å; V363-K366 PolarHBondContact O-N 2.96Å; L364-K366 PolarHBondContact O-N 3.43Å
367	A	97.9	Very high	98	Very high	22 Å²	22	47.5 Å²	47.5	18%	0.182	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-99.9	118.3	-169.2	0	0	0	0	0	110.7	T280 V283 L364	T280-A367 HydrophobicContact CG2-CB 4.02Å; V283-A367 HydrophobicContact CG2-CB 3.84Å; L364-A367 PolarHBondContact O-N 3.24Å
368	D	97.9	Very high	98	Very high	123 Å²	123	47.7 Å²	47.7	66%	0.658	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-63.9	144	174.3	-60.5	-54.2	0	0	0	111	T280 A281	T280-D368 CarbonylContact C-O 3.19Å; T280-D368 WeakPolarHBondContact CA-O 3.43Å; T280-D368 WeakPolarHBondContact CB-O 3.25Å; A281-D368 HydrophobicContact CB-CB 4.16Å; A281-D368 PolarHBondContact N-O 2.91Å
369	I	98.2	Very high	98	Very high	77 Å²	77	45.2 Å²	45.2	40%	0.395	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.6	171.4	-62.7	175	0	0	0	108.6	V278 L347 V372	V278-I369 HydrophobicContact CG1-CB 4.3Å; V278-I369 HydrophobicContact CG1-CD1 3.71Å; V278-I369 HydrophobicContact CG1-CG1 3.67Å; V278-I369 HydrophobicContact CG1-CG2 3.76Å; L347-I369 HydrophobicContact CD1-CD1 4.47Å; L347-I369 HydrophobicContact CD2-CD1 3.87Å; I369-V372 HydrophobicContact CG2-CG2 3.95Å
370	I	97.1	Very high	98.1	Very high	122 Å²	122	41.2 Å²	41.2	63%	0.626	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-37.3	171.5	-76.4	-175.2	0	0	0	111.3	V279 A281	V279-I370 PolarHBondContact O-N 2.93Å; A281-I370 HydrophobicContact CB-CD1 3.97Å; A281-I370 HydrophobicContact CB-CG1 4.05Å
371	N	96.8	Very high	98.1	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.4	-176.4	-162.4	11.8	0	0	0	112.2	V279 V373	V279-N371 HydrophobicContact CB-CB 4.43Å; V279-N371 PolarHBondContact N-O 3.38Å; V279-N371 PolarHBondContact O-N 2.98Å; N371-V373 WeakPolarHBondContact ND2-CG2 3.48Å
372	V	97.9	Very high	98.1	Very high	21 Å²	21	43.2 Å²	43.2	13%	0.127	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111.8	165.6	-175.8	0	0	0	0	106.8	Y277 V278 L347 I369	Y277-V372 CarbonylContact O-C 3.59Å; Y277-V372 WeakPolarHBondContact O-CA 3.31Å; V278-V372 HydrophobicContact CG2-CG2 4.33Å; L347-V372 HydrophobicContact CD1-CG2 4.39Å; I369-V372 HydrophobicContact CG2-CG2 3.95Å
373	V	98.1	Very high	98.1	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.7	-178.7	176.7	0	0	0	0	108.6	H96 Q276 Y277 L342 N371	H96-V373 HydrophobicContact CB-CG1 3.97Å; Q276-V373 CarbonylContact C-O 3.55Å; Q276-V373 VanDerWaalsContact CA-O 3.26Å; Q276-V373 WeakPolarHBondContact CA-O 3.38Å; Y277-V373 HydrophobicContact CD1-CB 4.17Å; Y277-V373 HydrophobicContact CD1-CG1 4.43Å; Y277-V373 HydrophobicContact CD2-CB 4.1Å; Y277-V373 HydrophobicContact CD2-CG2 4.36Å; Y277-V373 HydrophobicContact CE1-CB 3.74Å; Y277-V373 HydrophobicContact CE1-CG1 3.69Å; Y277-V373 HydrophobicContact CE1-CG2 4.46Å; Y277-V373 HydrophobicContact CE2-CB 3.65Å; Y277-V373 HydrophobicContact CE2-CG1 4.35Å; Y277-V373 HydrophobicContact CE2-CG2 3.61Å; Y277-V373 HydrophobicContact CG-CB 4.35Å; Y277-V373 VanDerWaalsContact CZ-CB 3.47Å; Y277-V373 PolarHBondContact N-O 3.28Å; Y277-V373 PolarHBondContact O-N 3.29Å; L342-V373 HydrophobicContact CD1-CG1 4.01Å; L342-V373 HydrophobicContact CD2-CG1 3.94Å; N371-V373 WeakPolarHBondContact ND2-CG2 3.48Å
374	S	97.5	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	101.7	-167	-69.6	0	0	0	0	109.6	H274 Q276 L342 F343 S345	H274-S374 VanDerWaalsContact NE2-CB 3.31Å; H274-S374 WeakPolarHBondContact NE2-CB 3.44Å; Q276-S374 WeakPolarHBondContact CG-OG 3.48Å; Q276-S374 PolarHBondContact OE1-OG 2.71Å; L342-S374 WeakPolarHBondContact CB-O 3.36Å; F343-S374 PolarHBondContact N-O 2.65Å; F343-S374 WeakPolarHBondContact O-CB 3.47Å; S345-S374 WeakPolarHBondContact CA-OG 3.31Å
375	G	97.2	Very high	98.1	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.8	-160.2	0	0	0	0	0	115.9	H275	H275-G375 PolarHBondContact N-O 3.09Å; H275-G375 PolarHBondContact O-N 3.39Å
376	P	98.4	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.9	174.2	27.9	-33.2	0	0	0	112.6	S93 F255 P272 V273 W329 F338 F343	S93-P376 VanDerWaalsContact CB-O 3.28Å; S93-P376 WeakPolarHBondContact CB-O 3.43Å; S93-P376 PolarHBondContact OG-O 2.85Å; F255-P376 HydrophobicContact CD1-CB 4.23Å; F255-P376 HydrophobicContact CD1-CG 4.17Å; F255-P376 HydrophobicContact CE1-CB 4.31Å; F255-P376 HydrophobicContact CE1-CG 3.75Å; F255-P376 HydrophobicContact CZ-CG 4.16Å; P272-P376 HydrophobicContact CB-CB 4.15Å; V273-P376 WeakPolarHBondContact O-CA 3.21Å; W329-P376 HydrophobicContact CH2-CB 4.47Å; W329-P376 HydrophobicContact CH2-CG 4.3Å; W329-P376 HydrophobicContact CZ3-CB 4.17Å; W329-P376 HydrophobicContact CZ3-CG 4.32Å; F338-P376 HydrophobicContact CE1-CG 3.94Å; F338-P376 HydrophobicContact CZ-CG 4.08Å; F343-P376 HydrophobicContact CE2-CB 3.76Å; F343-P376 HydrophobicContact CE2-CG 4.1Å; F343-P376 HydrophobicContact CZ-CB 3.81Å; F343-P376 HydrophobicContact CZ-CG 4.05Å
377	I	98.5	Very high	98.2	Very high	28 Å²	28	29.3 Å²	29.3	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.8	166.7	-52.2	-178.3	0	0	0	108.9	P272 V273 H275 Y379 F402	P272-I377 CarbonylContact C-O 3.55Å; P272-I377 WeakPolarHBondContact CA-O 3.29Å; V273-I377 HydrophobicContact CG2-CB 4.23Å; V273-I377 PolarHBondContact N-O 2.8Å; V273-I377 PolarHBondContact O-N 3.15Å; H275-I377 HydrophobicContact CB-CD1 3.58Å; H275-I377 HydrophobicContact CB-CG1 4.11Å; I377-Y379 HydrophobicContact CB-CD2 4.32Å; I377-Y379 HydrophobicContact CB-CE2 4.11Å; I377-Y379 HydrophobicContact CG2-CD2 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 3.76Å; I377-Y379 PolarHBondContact O-N 3.1Å; I377-F402 WeakPolarHBondContact CG2-O 3.32Å
378	T	98.4	Very high	98.2	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.1	-179.1	-43.1	0	0	0	0	110.7	F255 T270 G401 F402	F255-T378 WeakPolarHBondContact CA-OG1 3.05Å; F255-T378 PolarHBondContact N-OG1 2.87Å; T270-T378 HydrophobicContact CG2-CG2 4.27Å; T378-G401 CarbonylContact O-C 3.54Å; T378-G401 WeakPolarHBondContact O-CA 3.38Å; T378-F402 CarbonylContact O-C 2.91Å; T378-F402 PolarHBondContact O-N 2.98Å
379	Y	98.8	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.7	178.5	-87.3	-144.8	0	0	0	111.6	T270 I271 V273 I377 L383 Y454	T270-Y379 CarbonylContact C-O 3.31Å; T270-Y379 VanDerWaalsContact CA-O 3.31Å; T270-Y379 WeakPolarHBondContact CA-O 3.43Å; I271-Y379 PolarHBondContact N-O 3.41Å; I271-Y379 PolarHBondContact O-N 2.87Å; V273-Y379 HydrophobicContact CB-CG 4.49Å; V273-Y379 HydrophobicContact CG1-CD1 4.01Å; V273-Y379 HydrophobicContact CG1-CD2 4.44Å; V273-Y379 HydrophobicContact CG1-CG 3.9Å; V273-Y379 HydrophobicContact CG2-CD1 4.03Å; V273-Y379 HydrophobicContact CG2-CD2 3.41Å; V273-Y379 VanDerWaalsContact CG2-CD2 3.41Å; V273-Y379 HydrophobicContact CG2-CE1 4.09Å; V273-Y379 HydrophobicContact CG2-CE2 3.47Å; V273-Y379 VanDerWaalsContact CG2-CE2 3.47Å; V273-Y379 HydrophobicContact CG2-CG 3.71Å; I377-Y379 HydrophobicContact CB-CD2 4.32Å; I377-Y379 HydrophobicContact CB-CE2 4.11Å; I377-Y379 HydrophobicContact CG2-CD2 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 3.76Å; I377-Y379 PolarHBondContact O-N 3.1Å; Y379-L383 HydrophobicContact CD1-CD1 4.03Å; Y379-L383 HydrophobicContact CD2-CD1 4.22Å; Y379-L383 HydrophobicContact CE1-CD1 3.52Å; Y379-L383 HydrophobicContact CE2-CD1 3.73Å; Y379-L383 HydrophobicContact CG-CD1 4.35Å; Y379-Y454 AromaticContact CE1-CD2 3.88Å; Y379-Y454 HydrophobicContact CE1-CD2 3.88Å; Y379-Y454 HydrophobicContact CE1-CG 4.35Å; Y379-Y454 AromaticContact CZ-CD2 3.82Å
380	T	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.			trans	-92	168.6	156.3	58	0	0	0	0	109.7	T270 D382 L383 L384 M386 Y437	T270-T380 HydrophobicContact CG2-CG2 4.38Å; T380-D382 PolarHBondContact O-N 3.16Å; T380-D382 PolarHBondContact OG1-OD1 3.02Å; T380-L383 PolarHBondContact O-N 2.84Å; T380-L383 PolarHBondContact OG1-N 2.87Å; T380-L384 WeakPolarHBondContact CB-O 3.31Å; T380-L384 WeakPolarHBondContact CG2-O 3.49Å; T380-L384 PolarHBondContact OG1-N 2.84Å; T380-L384 PolarHBondContact OG1-O 2.93Å; T380-M386 HydrophobicContact CG2-CG 4.06Å; T380-M386 HydrophobicContact CG2-SD 4.22Å; T380-Y437 WeakPolarHBondContact CB-OH 3.44Å; T380-Y437 HydrophobicContact CG2-CE2 4.33Å
381	P	98.7	Very high	98.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.013	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-40.1	170.4	-32	33.8	0	0	0	115.7	P269 Y437 T441 F445 M446 K449 S453	P269-P381 HydrophobicContact CB-CG 4.45Å; P269-P381 VanDerWaalsContact O-CD 3.25Å; P269-P381 WeakPolarHBondContact O-CD 3.15Å; P381-Y437 HydrophobicContact CB-CE1 3.84Å; P381-Y437 WeakPolarHBondContact CD-OH 3.45Å; P381-Y437 HydrophobicContact CG-CD1 4.39Å; P381-Y437 HydrophobicContact CG-CE1 3.74Å; P381-T441 HydrophobicContact CG-CG2 3.76Å; P381-F445 HydrophobicContact CB-CD1 4.43Å; P381-F445 HydrophobicContact CB-CE1 3.78Å; P381-F445 HydrophobicContact CG-CD1 4.38Å; P381-F445 HydrophobicContact CG-CE1 4.13Å; P381-M446 HydrophobicContact CG-CB 4.49Å; P381-M446 HydrophobicContact CG-CG 4.41Å; P381-K449 HydrophobicContact CB-CB 3.8Å; P381-K449 HydrophobicContact CB-CG 3.96Å; P381-K449 CarbonylContact O-C 3.21Å; P381-K449 VanDerWaalsContact O-CG 3.25Å; P381-K449 WeakPolarHBondContact O-CG 3.48Å; P381-S453 PolarHBondContact O-OG 3.19Å
382	D	98.4	Very high	98.2	Very high	56 Å²	56	15.2 Å²	15.2	30%	0.299	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	14.8	-174.6	63.9	30.1	0	0	0	114.6	T380 L384 R436 Y437	T380-D382 PolarHBondContact O-N 3.16Å; T380-D382 PolarHBondContact OG1-OD1 3.02Å; D382-L384 PolarHBondContact O-N 3.48Å; D382-L384 WeakPolarHBondContact OD1-CB 3.09Å; D382-L384 PolarHBondContact OD1-N 2.91Å; D382-R436 IonicContact OD1-CZ 2.8Å; D382-R436 IonicContact OD1-NE 2.72Å; D382-R436 IonicContact OD1-NH2 3.7Å; D382-R436 PolarHBondContact OD1-NH2 2.79Å; D382-R436 IonicContact OD2-CZ 3.72Å; D382-R436 IonicContact OD2-NE 3.85Å; D382-R436 PolarHBondContact OD2-NE 2.93Å; D382-R436 IonicContact OD2-NH2 2.68Å; D382-R436 PolarHBondContact OD2-NH2 2.79Å; D382-Y437 PolarHBondContact N-OH 2.81Å; D382-Y437 PolarHBondContact OD1-OH 3.15Å; D382-Y437 PolarHBondContact OD2-OH 3.17Å
383	L	98.4	Very high	98.1	Very high	25 Å²	25	16.7 Å²	16.7	13%	0.131	10%	0.1	C	C	.	.	S	Bend	trans	66.9	-19.9	-175.7	-179.3	65.5	0	0	0	115.5	Y379 T380 Y404	Y379-L383 HydrophobicContact CD1-CD1 4.03Å; Y379-L383 HydrophobicContact CD2-CD1 4.22Å; Y379-L383 HydrophobicContact CE1-CD1 3.52Å; Y379-L383 HydrophobicContact CE2-CD1 3.73Å; Y379-L383 HydrophobicContact CG-CD1 4.35Å; T380-L383 PolarHBondContact O-N 2.84Å; T380-L383 PolarHBondContact OG1-N 2.87Å; L383-Y404 HydrophobicContact CD2-CE2 3.95Å; L383-Y404 HydrophobicContact CG-CE2 4.41Å
384	L	98.8	Very high	98	Very high	39 Å²	39	21.3 Å²	21.3	20%	0.204	12%	0.117	C	C	.	.	S	Bend	trans	-81.1	144.6	-178.9	-56.9	-175	0	0	0	111.1	L110 T380 D382 E431 R436	L110-L384 HydrophobicContact CD1-CD1 4.07Å; L110-L384 HydrophobicContact CD1-CD2 3.73Å; L110-L384 HydrophobicContact CD1-CG 4.47Å; T380-L384 WeakPolarHBondContact CB-O 3.31Å; T380-L384 WeakPolarHBondContact CG2-O 3.49Å; T380-L384 PolarHBondContact OG1-N 2.84Å; T380-L384 PolarHBondContact OG1-O 2.93Å; D382-L384 PolarHBondContact O-N 3.48Å; D382-L384 WeakPolarHBondContact OD1-CB 3.09Å; D382-L384 PolarHBondContact OD1-N 2.91Å; L384-E431 HydrophobicContact CD1-CB 4Å; L384-E431 HydrophobicContact CD1-CG 4Å; L384-E431 WeakPolarHBondContact CD1-O 3.35Å; L384-R436 PolarHBondContact O-NH2 3.18Å
385	P	98.8	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.			trans	-66.2	168.9	-179	30.2	-37.5	0	0	0	112.9	V387 I400 F402 C432 R436	P385-V387 HydrophobicContact CB-CG2 3.8Å; P385-V387 HydrophobicContact CG-CG2 3.79Å; P385-I400 CarbonylContact C-O 3.56Å; P385-I400 WeakPolarHBondContact CA-O 3.39Å; P385-I400 WeakPolarHBondContact CB-O 3.31Å; P385-F402 HydrophobicContact CB-CD1 3.59Å; P385-F402 HydrophobicContact CB-CD2 4.33Å; P385-F402 HydrophobicContact CB-CE1 3.49Å; P385-F402 VanDerWaalsContact CB-CE1 3.49Å; P385-F402 HydrophobicContact CB-CE2 4.27Å; P385-F402 HydrophobicContact CB-CG 4.01Å; P385-F402 HydrophobicContact CB-CZ 3.86Å; P385-F402 HydrophobicContact CG-CD1 3.88Å; P385-F402 HydrophobicContact CG-CE1 3.65Å; P385-F402 HydrophobicContact CG-CZ 4.36Å; P385-C432 HydrophobicContact CG-CB 4.33Å; P385-C432 WeakPolarHBondContact O-CA 3.4Å; P385-C432 WeakPolarHBondContact O-CB 3.41Å; P385-R436 PolarHBondContact O-NH1 2.86Å; P385-R436 PolarHBondContact O-NH2 2.7Å
386	M	98.9	Very high	98.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.1	167.5	-69.2	165.3	64.7	0	0	107.8	P269 T270 T380 T398 A399 I400 C432 P434 Y437	P269-M386 HydrophobicContact CG-CE 4.37Å; P269-M386 HydrophobicContact CG-SD 4.01Å; T270-M386 HydrophobicContact CG2-SD 4.35Å; T380-M386 HydrophobicContact CG2-CG 4.06Å; T380-M386 HydrophobicContact CG2-SD 4.22Å; M386-T398 CarbonylContact O-C 3.57Å; M386-A399 CarbonylContact O-C 3.55Å; M386-A399 VanDerWaalsContact O-CA 3.27Å; M386-A399 WeakPolarHBondContact O-CA 3.27Å; M386-I400 HydrophobicContact CB-CD1 4.43Å; M386-I400 HydrophobicContact CB-CG1 3.74Å; M386-I400 HydrophobicContact CE-CD1 4.12Å; M386-I400 PolarHBondContact N-O 2.87Å; M386-I400 PolarHBondContact O-N 2.65Å; M386-I400 HydrophobicContact SD-CD1 4.11Å; M386-I400 HydrophobicContact SD-CG1 4.21Å; M386-C432 CarbonylContact C-O 3.56Å; M386-C432 WeakPolarHBondContact CA-O 3.37Å; M386-P434 HydrophobicContact CB-CB 4.05Å; M386-P434 HydrophobicContact CE-CB 4.12Å; M386-P434 WeakPolarHBondContact CE-O 3.19Å; M386-Y437 HydrophobicContact CG-CD2 4.21Å; M386-Y437 HydrophobicContact CG-CE2 4.08Å; M386-Y437 HydrophobicContact SD-CD2 4Å; M386-Y437 HydrophobicContact SD-CE2 4.15Å
387	V	98.9	Very high	98.1	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	107	-166.7	179.6	0	0	0	0	109.8	P385 T398 F402 I412 F415 L416 C432 P434	P385-V387 HydrophobicContact CB-CG2 3.8Å; P385-V387 HydrophobicContact CG-CG2 3.79Å; V387-T398 WeakPolarHBondContact CA-O 3.29Å; V387-F402 HydrophobicContact CG2-CZ 4.23Å; V387-I412 HydrophobicContact CG1-CD1 4.29Å; V387-I412 HydrophobicContact CG1-CG2 3.67Å; V387-I412 HydrophobicContact CG2-CD1 4.32Å; V387-I412 HydrophobicContact CG2-CG2 3.97Å; V387-F415 HydrophobicContact CG1-CD1 3.9Å; V387-F415 HydrophobicContact CG1-CE1 4.12Å; V387-L416 HydrophobicContact CG1-CD1 3.97Å; V387-L416 HydrophobicContact CG1-CD2 3.77Å; V387-L416 HydrophobicContact CG1-CG 3.74Å; V387-C432 HydrophobicContact CB-CB 4.12Å; V387-C432 HydrophobicContact CG2-CB 4.18Å; V387-C432 PolarHBondContact N-O 3.31Å; V387-P434 WeakPolarHBondContact O-CD 3.36Å
388	G	98.8	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149	-174.7	175.9	0	0	0	0	0	114.6	W397 T398	G388-W397 CarbonylContact O-C 3.55Å; G388-W397 WeakPolarHBondContact O-CA 3.36Å; G388-T398 PolarHBondContact N-O 2.88Å; G388-T398 PolarHBondContact O-N 2.73Å; G388-T398 PolarHBondContact O-OG1 2.74Å
389	P	98.8	Very high	98.2	Very high	23 Å²	23	23.2 Å²	23.2	15%	0.149	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	142.6	171.7	29.9	-27.5	0	0	0	110	W397 W419 P434 N435 R610	P389-W397 HydrophobicContact CB-CD2 3.86Å; P389-W397 HydrophobicContact CB-CE3 3.91Å; P389-W397 HydrophobicContact CB-CH2 4.02Å; P389-W397 HydrophobicContact CB-CZ2 3.96Å; P389-W397 HydrophobicContact CB-CZ3 4Å; P389-W397 VanDerWaalsContact CD-CZ3 3.49Å; P389-W397 HydrophobicContact CG-CE3 4.22Å; P389-W397 HydrophobicContact CG-CH2 3.97Å; P389-W397 HydrophobicContact CG-CZ2 4.39Å; P389-W397 HydrophobicContact CG-CZ3 3.89Å; P389-W419 HydrophobicContact CG-CH2 3.99Å; P389-W419 HydrophobicContact CG-CZ2 3.68Å; P389-P434 WeakPolarHBondContact O-CG 3.45Å; P389-N435 PolarHBondContact O-OD1 2.59Å; P389-R610 WeakPolarHBondContact O-CD 3.23Å; P389-R610 PolarHBondContact O-NH1 3.49Å
390	H	98.4	Very high	98.2	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.046	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-96.4	130.3	-176.6	-158.6	-77.6	0	0	0	112	F266 H268 F393 Y396 N435	F266-H390 AromaticContact CD1-NE2 3.95Å; F266-H390 AromaticContact CE1-CE1 3.72Å; F266-H390 AromaticContact CE1-NE2 3.34Å; F266-H390 VanDerWaalsContact CE1-NE2 3.34Å; F266-H390 WeakPolarHBondContact CE1-NE2 3.38Å; F266-H390 AromaticContact CE2-CE1 3.72Å; F266-H390 AromaticContact CZ-CE1 3.49Å; F266-H390 VanDerWaalsContact CZ-CE1 3.49Å; F266-H390 WeakPolarHBondContact CZ-CE1 3.39Å; F266-H390 AromaticContact CZ-NE2 3.45Å; F266-H390 WeakPolarHBondContact CZ-NE2 3.43Å; H268-H390 AromaticContact CE1-CD2 3.9Å; H268-H390 AromaticContact CE1-NE2 3.94Å; H390-F393 AromaticContact ND1-CD2 3.92Å; H390-F393 PolarHBondContact O-N 3.3Å; H390-Y396 HydrophobicContact CB-CD1 3.7Å; H390-Y396 HydrophobicContact CB-CE1 4.44Å; H390-Y396 PolarHBondContact N-O 2.83Å; H390-N435 WeakPolarHBondContact CA-OD1 3.26Å; H390-N435 PolarHBondContact CE1-ND2 3.26Å; H390-N435 VanDerWaalsContact CE1-ND2 3.28Å; H390-N435 PolarHBondContact ND1-ND2 2.8Å; H390-N435 PolarHBondContact NE2-ND2 3.5Å
391	Q	97.8	Very high	98.1	Very high	38 Å²	38	23.3 Å²	23.3	18%	0.178	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	146.2	171.1	-167.1	-85.1	-41.9	0	0	110.9	F393 N435 L606 L609 R610 E613	Q391-F393 PolarHBondContact O-N 3.2Å; Q391-N435 HydrophobicContact CB-CB 4.35Å; Q391-N435 PolarHBondContact N-OD1 3.33Å; Q391-L606 HydrophobicContact CG-CB 4.45Å; Q391-L609 HydrophobicContact CG-CD2 4.29Å; Q391-L609 HydrophobicContact CG-CG 4.39Å; Q391-R610 HydrophobicContact CB-CB 3.96Å; Q391-R610 HydrophobicContact CB-CG 4.33Å; Q391-R610 HydrophobicContact CG-CB 3.98Å; Q391-E613 VanDerWaalsContact NE2-CD 3.28Å; Q391-E613 PolarHBondContact NE2-OE1 2.86Å; Q391-E613 PolarHBondContact NE2-OE2 3.33Å
392	G	93.4	Very high	98.1	Very high	56 Å²	56	24.2 Å²	24.2	58%	0.577	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-19.4	-179.2	0	0	0	0	0	116.5
393	F	95.8	Very high	98.1	Very high	53 Å²	53	21.8 Å²	21.8	23%	0.232	12%	0.118	C	C	.	.	S	Bend	trans	-124.3	99.7	-177.4	-65.1	-77.3	0	0	0	112.1	W235 I264 F266 H390 Q391 N395 Y396	W235-F393 HydrophobicContact CH2-CD1 4.32Å; W235-F393 HydrophobicContact CZ2-CB 4.42Å; I264-F393 HydrophobicContact CB-CE1 4.16Å; I264-F393 HydrophobicContact CD1-CD1 3.88Å; I264-F393 HydrophobicContact CD1-CD2 3.97Å; I264-F393 HydrophobicContact CD1-CE1 3.94Å; I264-F393 HydrophobicContact CD1-CE2 4.03Å; I264-F393 HydrophobicContact CD1-CG 3.88Å; I264-F393 HydrophobicContact CD1-CZ 4.01Å; I264-F393 HydrophobicContact CG1-CE1 4.2Å; I264-F393 HydrophobicContact CG1-CZ 4.2Å; I264-F393 WeakPolarHBondContact O-CE1 3.45Å; I264-F393 WeakPolarHBondContact O-CZ 3.4Å; F266-F393 HydrophobicContact CB-CE2 3.91Å; F266-F393 HydrophobicContact CB-CZ 4.15Å; F266-F393 HydrophobicContact CD2-CE2 4.08Å; F266-F393 HydrophobicContact CG-CE2 4.18Å; H390-F393 AromaticContact ND1-CD2 3.92Å; H390-F393 PolarHBondContact O-N 3.3Å; Q391-F393 PolarHBondContact O-N 3.2Å; F393-N395 PolarHBondContact O-N 2.59Å; F393-Y396 HydrophobicContact CB-CG 4.36Å; F393-Y396 PolarHBondContact O-N 2.85Å; F393-Y396 VanDerWaalsContact O-N 3.12Å
394	R	96.3	Very high	98.1	Very high	108 Å²	108	23.4 Å²	23.4	41%	0.408	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.3	179.4	-67.1	-176.2	68.9	-135.5	-7.3	110.7	D232 G233 W235 Y396	D232-R394 VanDerWaalsContact C-NH1 3.34Å; D232-R394 PolarHBondContact O-NH1 3.19Å; D232-R394 PolarHBondContact O-NH2 3Å; G233-R394 VanDerWaalsContact CA-NH1 3.28Å; W235-R394 PolarHBondContact NE1-O 2.83Å; R394-Y396 PolarHBondContact O-N 2.87Å
395	N	98.2	Very high	98	Very high	49 Å²	49	22.3 Å²	22.3	26%	0.262	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	19.4	179.3	-68.9	-48.2	0	0	0	116.3	G233 N247 R248 I249 F393	G233-N395 PolarHBondContact O-ND2 2.9Å; N247-N395 WeakPolarHBondContact O-CB 3.12Å; N247-N395 PolarHBondContact O-ND2 2.87Å; R248-N395 WeakPolarHBondContact CA-O 3.44Å; R248-N395 HydrophobicContact CB-CB 3.7Å; R248-N395 WeakPolarHBondContact CB-O 3.11Å; I249-N395 PolarHBondContact N-O 2.87Å; F393-N395 PolarHBondContact O-N 2.59Å
396	Y	98.8	Very high	98	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.6	164.2	-174.2	-100.9	0	0	0	110.2	I249 N251 I264 H268 H390 F393 R394 T398	I249-Y396 HydrophobicContact CD1-CD2 3.74Å; I249-Y396 HydrophobicContact CD1-CE2 4.22Å; I249-Y396 HydrophobicContact CG1-CD2 3.77Å; I249-Y396 HydrophobicContact CG1-CE2 4.48Å; N251-Y396 HydrophobicContact CB-CE2 4.32Å; N251-Y396 PolarHBondContact ND2-OH 3.24Å; I264-Y396 HydrophobicContact CD1-CD1 4.02Å; I264-Y396 HydrophobicContact CD1-CD2 3.73Å; I264-Y396 HydrophobicContact CD1-CE1 3.94Å; I264-Y396 HydrophobicContact CD1-CE2 3.64Å; I264-Y396 HydrophobicContact CD1-CG 3.92Å; H268-Y396 AromaticContact CE1-CE1 3.88Å; H268-Y396 AromaticContact NE2-CE1 3.67Å; H268-Y396 AromaticContact NE2-CZ 3.77Å; H268-Y396 PolarHBondContact NE2-OH 2.86Å; H390-Y396 HydrophobicContact CB-CD1 3.7Å; H390-Y396 HydrophobicContact CB-CE1 4.44Å; H390-Y396 PolarHBondContact N-O 2.83Å; F393-Y396 HydrophobicContact CB-CG 4.36Å; F393-Y396 PolarHBondContact O-N 2.85Å; F393-Y396 VanDerWaalsContact O-N 3.12Å; R394-Y396 PolarHBondContact O-N 2.87Å; Y396-T398 HydrophobicContact CD1-CG2 4.31Å; Y396-T398 HydrophobicContact CE1-CG2 3.7Å
397	W	98.9	Very high	98	Very high	22 Å²	22	23.2 Å²	23.2	8%	0.083	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.8	179.6	-64	71.6	0	0	0	110.6	I249 V250 N251 G388 P389 L416 W419 I420	I249-W397 PolarHBondContact O-N 3.36Å; V250-W397 WeakPolarHBondContact CA-O 3.19Å; V250-W397 HydrophobicContact CB-CB 4.29Å; V250-W397 HydrophobicContact CG1-CB 3.91Å; V250-W397 HydrophobicContact CG2-CB 4.08Å; N251-W397 PolarHBondContact N-O 2.81Å; G388-W397 CarbonylContact O-C 3.55Å; G388-W397 WeakPolarHBondContact O-CA 3.36Å; P389-W397 HydrophobicContact CB-CD2 3.86Å; P389-W397 HydrophobicContact CB-CE3 3.91Å; P389-W397 HydrophobicContact CB-CH2 4.02Å; P389-W397 HydrophobicContact CB-CZ2 3.96Å; P389-W397 HydrophobicContact CB-CZ3 4Å; P389-W397 VanDerWaalsContact CD-CZ3 3.49Å; P389-W397 HydrophobicContact CG-CE3 4.22Å; P389-W397 HydrophobicContact CG-CH2 3.97Å; P389-W397 HydrophobicContact CG-CZ2 4.39Å; P389-W397 HydrophobicContact CG-CZ3 3.89Å; W397-L416 HydrophobicContact CE3-CD2 4.09Å; W397-L416 HydrophobicContact CZ3-CD2 4.35Å; W397-W419 HydrophobicContact CH2-CB 4.47Å; W397-W419 AromaticContact CH2-CD1 3.84Å; W397-W419 HydrophobicContact CH2-CD2 4.18Å; W397-W419 AromaticContact CH2-CG 3.9Å; W397-W419 HydrophobicContact CH2-CG 3.9Å; W397-W419 HydrophobicContact CZ3-CB 4.23Å; W397-W419 AromaticContact CZ3-CD2 3.82Å; W397-W419 HydrophobicContact CZ3-CD2 3.82Å; W397-W419 HydrophobicContact CZ3-CE3 4.19Å; W397-W419 AromaticContact CZ3-CG 3.82Å; W397-W419 HydrophobicContact CZ3-CG 3.82Å; W397-I420 HydrophobicContact CD2-CD1 4.3Å; W397-I420 HydrophobicContact CD2-CG1 3.98Å; W397-I420 HydrophobicContact CE3-CD1 4.3Å; W397-I420 HydrophobicContact CE3-CG1 3.89Å; W397-I420 HydrophobicContact CH2-CG1 3.86Å; W397-I420 HydrophobicContact CZ2-CG1 3.93Å; W397-I420 HydrophobicContact CZ3-CG1 3.83Å
398	T	98.9	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.4	-179.7	54.2	0	0	0	0	111.6	M386 V387 G388 Y396 I400 P434	M386-T398 CarbonylContact O-C 3.57Å; V387-T398 WeakPolarHBondContact CA-O 3.29Å; G388-T398 PolarHBondContact N-O 2.88Å; G388-T398 PolarHBondContact O-N 2.73Å; G388-T398 PolarHBondContact O-OG1 2.74Å; Y396-T398 HydrophobicContact CD1-CG2 4.31Å; Y396-T398 HydrophobicContact CE1-CG2 3.7Å; T398-I400 HydrophobicContact CG2-CD1 4.26Å; T398-P434 WeakPolarHBondContact OG1-CB 3.18Å
399	A	98.9	Very high	98	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	87.4	155.5	0	0	0	0	0	106.7	V65 N251 T252 M386 F402 L416	V65-A399 HydrophobicContact CG1-CB 3.74Å; N251-A399 PolarHBondContact O-N 3.03Å; T252-A399 WeakPolarHBondContact CA-O 3.29Å; T252-A399 HydrophobicContact CG2-CB 4.03Å; M386-A399 CarbonylContact O-C 3.55Å; M386-A399 VanDerWaalsContact O-CA 3.27Å; M386-A399 WeakPolarHBondContact O-CA 3.27Å; A399-F402 HydrophobicContact CB-CE2 4.01Å; A399-F402 HydrophobicContact CB-CZ 4.14Å; A399-F402 WeakPolarHBondContact O-CE2 3.45Å; A399-L416 HydrophobicContact CB-CD1 3.66Å
400	I	98.9	Very high	98	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	168	-169.7	67.8	176.9	0	0	0	111.7	N251 A257 H268 T270 P385 M386 T398	N251-I400 HydrophobicContact CB-CG2 4.3Å; N251-I400 VanDerWaalsContact O-CG2 3.24Å; N251-I400 WeakPolarHBondContact O-CG2 3.23Å; A257-I400 HydrophobicContact CB-CB 3.69Å; A257-I400 HydrophobicContact CB-CD1 4.08Å; A257-I400 HydrophobicContact CB-CG1 4.46Å; A257-I400 HydrophobicContact CB-CG2 3.52Å; H268-I400 HydrophobicContact CB-CD1 3.75Å; H268-I400 WeakPolarHBondContact ND1-CD1 3.49Å; T270-I400 HydrophobicContact CG2-CD1 4.17Å; T270-I400 HydrophobicContact CG2-CG1 4.28Å; P385-I400 CarbonylContact C-O 3.56Å; P385-I400 WeakPolarHBondContact CA-O 3.39Å; P385-I400 WeakPolarHBondContact CB-O 3.31Å; M386-I400 HydrophobicContact CB-CD1 4.43Å; M386-I400 HydrophobicContact CB-CG1 3.74Å; M386-I400 HydrophobicContact CE-CD1 4.12Å; M386-I400 PolarHBondContact N-O 2.87Å; M386-I400 PolarHBondContact O-N 2.65Å; M386-I400 HydrophobicContact SD-CD1 4.11Å; M386-I400 HydrophobicContact SD-CG1 4.21Å; T398-I400 HydrophobicContact CG2-CD1 4.26Å
401	G	98.5	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.			trans	72.1	34.5	173.6	0	0	0	0	0	115	T378 G403	T378-G401 CarbonylContact O-C 3.54Å; T378-G401 WeakPolarHBondContact O-CA 3.38Å; G401-G403 PolarHBondContact O-N 3.14Å
402	F	98.7	Very high	98.1	Very high	22 Å²	22	19.7 Å²	19.7	10%	0.096	11%	0.107	C	C	.	.			trans	-79.6	104.7	-178.5	-70.7	-85.6	0	0	0	113.7	V65 I377 T378 P385 V387 A399 Y404 H408 I412	V65-F402 HydrophobicContact CB-CE2 4.21Å; V65-F402 HydrophobicContact CG1-CE2 3.73Å; V65-F402 HydrophobicContact CG1-CZ 3.87Å; V65-F402 HydrophobicContact CG2-CD2 3.94Å; V65-F402 HydrophobicContact CG2-CE1 4.41Å; V65-F402 HydrophobicContact CG2-CE2 3.72Å; V65-F402 HydrophobicContact CG2-CG 4.36Å; V65-F402 HydrophobicContact CG2-CZ 3.99Å; I377-F402 WeakPolarHBondContact CG2-O 3.32Å; T378-F402 CarbonylContact O-C 2.91Å; T378-F402 PolarHBondContact O-N 2.98Å; P385-F402 HydrophobicContact CB-CD1 3.59Å; P385-F402 HydrophobicContact CB-CD2 4.33Å; P385-F402 HydrophobicContact CB-CE1 3.49Å; P385-F402 VanDerWaalsContact CB-CE1 3.49Å; P385-F402 HydrophobicContact CB-CE2 4.27Å; P385-F402 HydrophobicContact CB-CG 4.01Å; P385-F402 HydrophobicContact CB-CZ 3.86Å; P385-F402 HydrophobicContact CG-CD1 3.88Å; P385-F402 HydrophobicContact CG-CE1 3.65Å; P385-F402 HydrophobicContact CG-CZ 4.36Å; V387-F402 HydrophobicContact CG2-CZ 4.23Å; A399-F402 HydrophobicContact CB-CE2 4.01Å; A399-F402 HydrophobicContact CB-CZ 4.14Å; A399-F402 WeakPolarHBondContact O-CE2 3.45Å; F402-Y404 PolarHBondContact O-N 2.97Å; F402-H408 HydrophobicContact CD1-CB 3.75Å; F402-H408 AromaticContact CD1-ND1 3.65Å; F402-H408 HydrophobicContact CE1-CB 3.69Å; F402-H408 AromaticContact CE1-ND1 3.96Å; F402-I412 HydrophobicContact CE1-CG1 4.15Å; F402-I412 HydrophobicContact CZ-CG2 4.07Å
403	G	97.3	Very high	98.4	Very high	5 Å²	5	17 Å²	17	5%	0.052	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27	161.5	0	0	0	0	0	114	G401	G401-G403 PolarHBondContact O-N 3.14Å
404	Y	98.2	Very high	98.5	Very high	58 Å²	58	17.9 Å²	17.9	23%	0.227	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	49	-174.3	-67.8	-58.9	0	0	0	113.3	R297 Y317 L383 F402 V406 I407 H408 N457	R297-Y404 PolarHBondContact NH2-OH 2.89Å; Y317-Y404 WeakPolarHBondContact OH-CE1 3.19Å; L383-Y404 HydrophobicContact CD2-CE2 3.95Å; L383-Y404 HydrophobicContact CG-CE2 4.41Å; F402-Y404 PolarHBondContact O-N 2.97Å; Y404-V406 VanDerWaalsContact C-N 3.34Å; Y404-V406 PolarHBondContact O-N 3.45Å; Y404-I407 WeakPolarHBondContact O-CG2 3.12Å; Y404-I407 PolarHBondContact O-N 3.24Å; Y404-H408 PolarHBondContact O-N 3.33Å; Y404-H408 VanDerWaalsContact O-N 3.09Å; Y404-N457 PolarHBondContact OH-ND2 3.04Å; Y404-N457 PolarHBondContact OH-OD1 3.31Å
405	G	97.7	Very high	98.6	Very high	17 Å²	17	12.9 Å²	12.9	18%	0.175	6%	0.064	C	C	.	.	H	α-helix	trans	-52.4	-41.9	-170.8	0	0	0	0	0	115.5	H408 A409	G405-H408 PolarHBondContact O-N 3.47Å; G405-A409 VanDerWaalsContact O-CB 3.31Å; G405-A409 WeakPolarHBondContact O-CB 3.26Å; G405-A409 PolarHBondContact O-N 2.82Å
406	V	98.8	Very high	98.7	Very high	12 Å²	12	10.6 Å²	10.6	7%	0.073	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-46.9	-175.4	-175.1	0	0	0	0	112.3	A97 T101 Y121 I198 P200 L203 Y404	A97-V406 HydrophobicContact CB-CG2 3.66Å; T101-V406 HydrophobicContact CG2-CG1 3.93Å; Y121-V406 PolarHBondContact OH-O 2.77Å; I198-V406 HydrophobicContact CG2-CG1 3.55Å; P200-V406 HydrophobicContact CB-CG2 4.12Å; P200-V406 HydrophobicContact CG-CG2 4.1Å; L203-V406 HydrophobicContact CD2-CG1 4.05Å; Y404-V406 VanDerWaalsContact C-N 3.34Å; Y404-V406 PolarHBondContact O-N 3.45Å
407	I	98.8	Very high	98.7	Very high	7 Å²	7	10.6 Å²	10.6	4%	0.036	5%	0.053	C	C	.	.	H	α-helix	trans	-77.6	-23.9	177.9	-177.8	56.5	0	0	0	112.7	T101 T102 H114 S117 I118 Y404	T101-I407 HydrophobicContact CG2-CB 4.14Å; T101-I407 HydrophobicContact CG2-CD1 4.15Å; T102-I407 WeakPolarHBondContact O-CD1 3.5Å; H114-I407 HydrophobicContact CB-CD1 4.23Å; H114-I407 HydrophobicContact CB-CG1 4.24Å; H114-I407 WeakPolarHBondContact ND1-CG1 3.35Å; S117-I407 WeakPolarHBondContact CB-O 3.44Å; S117-I407 PolarHBondContact OG-O 2.6Å; I118-I407 HydrophobicContact CD1-CD1 3.85Å; I118-I407 HydrophobicContact CG1-CD1 3.83Å; Y404-I407 WeakPolarHBondContact O-CG2 3.12Å; Y404-I407 PolarHBondContact O-N 3.24Å
408	H	98.9	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-81.8	-25.4	175.4	-68	-172.1	0	0	0	113.8	V113 H114 F402 Y404 G405 G410 I412	V113-H408 HydrophobicContact CG1-CB 4.36Å; H114-H408 AromaticContact CD2-CD2 3.92Å; H114-H408 AromaticContact NE2-CD2 3.53Å; H114-H408 AromaticContact NE2-NE2 3.34Å; H114-H408 PolarHBondContact NE2-NE2 3.41Å; F402-H408 HydrophobicContact CD1-CB 3.75Å; F402-H408 AromaticContact CD1-ND1 3.65Å; F402-H408 HydrophobicContact CE1-CB 3.69Å; F402-H408 AromaticContact CE1-ND1 3.96Å; Y404-H408 PolarHBondContact O-N 3.33Å; Y404-H408 VanDerWaalsContact O-N 3.09Å; G405-H408 PolarHBondContact O-N 3.47Å; H408-G410 PolarHBondContact O-N 3.12Å; H408-I412 HydrophobicContact CB-CG1 4.09Å; H408-I412 WeakPolarHBondContact O-CB 3.28Å; H408-I412 WeakPolarHBondContact O-CG1 3.47Å; H408-I412 PolarHBondContact O-N 2.9Å
409	A	98.9	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.1	-48.3	-164.9	0	0	0	0	0	114.9	C64 V65 S68 G405 G413	C64-A409 HydrophobicContact CB-CB 4.09Å; V65-A409 HydrophobicContact CG2-CB 4.1Å; S68-A409 VanDerWaalsContact CB-O 3.22Å; S68-A409 WeakPolarHBondContact CB-O 3.39Å; S68-A409 PolarHBondContact OG-O 3.49Å; G405-A409 VanDerWaalsContact O-CB 3.31Å; G405-A409 WeakPolarHBondContact O-CB 3.26Å; G405-A409 PolarHBondContact O-N 2.82Å; A409-G413 PolarHBondContact O-N 3.47Å
410	G	98.8	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-60	179.8	0	0	0	0	0	112.7	H72 S117 Y121 H408 I412 G413 K414	H72-G410 PolarHBondContact NE2-O 2.63Å; S117-G410 PolarHBondContact OG-N 2.82Å; Y121-G410 PolarHBondContact OH-N 2.9Å; H408-G410 PolarHBondContact O-N 3.12Å; G410-I412 VanDerWaalsContact C-N 3.33Å; G410-I412 PolarHBondContact O-N 3.23Å; G410-G413 PolarHBondContact O-N 2.83Å; G410-K414 PolarHBondContact O-N 3.48Å
411	G	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-38.5	-179.3	0	0	0	0	0	113.8	S117 F415	S117-G411 PolarHBondContact OG-N 2.99Å; G411-F415 VanDerWaalsContact O-CB 3.28Å; G411-F415 WeakPolarHBondContact O-CB 3.38Å; G411-F415 PolarHBondContact O-N 3.39Å
412	I	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-74.8	-38	176.2	-62.3	-57.2	0	0	0	112.3	V113 V387 F402 H408 G410 K414 F415 L416 L429	V113-I412 HydrophobicContact CB-CD1 4.39Å; V113-I412 HydrophobicContact CG1-CD1 3.77Å; V113-I412 HydrophobicContact CG1-CG1 3.74Å; V113-I412 HydrophobicContact CG2-CD1 3.66Å; V387-I412 HydrophobicContact CG1-CD1 4.29Å; V387-I412 HydrophobicContact CG1-CG2 3.67Å; V387-I412 HydrophobicContact CG2-CD1 4.32Å; V387-I412 HydrophobicContact CG2-CG2 3.97Å; F402-I412 HydrophobicContact CE1-CG1 4.15Å; F402-I412 HydrophobicContact CZ-CG2 4.07Å; H408-I412 HydrophobicContact CB-CG1 4.09Å; H408-I412 WeakPolarHBondContact O-CB 3.28Å; H408-I412 WeakPolarHBondContact O-CG1 3.47Å; H408-I412 PolarHBondContact O-N 2.9Å; G410-I412 VanDerWaalsContact C-N 3.33Å; G410-I412 PolarHBondContact O-N 3.23Å; I412-K414 VanDerWaalsContact C-N 3.28Å; I412-K414 PolarHBondContact O-N 2.98Å; I412-F415 PolarHBondContact O-N 3.03Å; I412-L416 HydrophobicContact CG2-CD1 4.09Å; I412-L416 HydrophobicContact CG2-CG 4.34Å; I412-L416 PolarHBondContact O-N 3.48Å; I412-L429 HydrophobicContact CD1-CD1 4.3Å
413	G	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-40.6	172.8	0	0	0	0	0	111.7	H72 A409 G410 S417	H72-G413 WeakPolarHBondContact CB-O 3.27Å; H72-G413 VanDerWaalsContact CD2-C 3.43Å; A409-G413 PolarHBondContact O-N 3.47Å; G410-G413 PolarHBondContact O-N 2.83Å; G413-S417 VanDerWaalsContact O-CB 3.23Å; G413-S417 WeakPolarHBondContact O-CB 3.43Å; G413-S417 PolarHBondContact O-N 3.15Å; G413-S417 VanDerWaalsContact O-N 3.08Å
414	K	98.9	Very high	98.6	Very high	70 Å²	70	23.3 Å²	23.3	30%	0.304	12%	0.123	S	C	.	.	H	α-helix	trans	-63.5	-52.1	170.6	175.5	169.1	166.6	49.5	0	112.1	H72 G410 I412 L416 S417 D418	H72-K414 PolarHBondContact CD2-N 3.45Å; G410-K414 PolarHBondContact O-N 3.48Å; I412-K414 VanDerWaalsContact C-N 3.28Å; I412-K414 PolarHBondContact O-N 2.98Å; K414-L416 PolarHBondContact O-N 2.92Å; K414-S417 PolarHBondContact O-N 2.99Å; K414-D418 IonicContact NZ-OD2 3.86Å; K414-D418 PolarHBondContact NZ-OD2 3.38Å; K414-D418 PolarHBondContact O-N 2.97Å
415	F	98.9	Very high	98.7	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.013	11%	0.114	C	C	.	.	H	α-helix	trans	-55.6	-50.6	-177.2	178	-96.8	0	0	0	112.2	V387 G411 I412 D418 W419 P425 P426 Y427 L429	V387-F415 HydrophobicContact CG1-CD1 3.9Å; V387-F415 HydrophobicContact CG1-CE1 4.12Å; G411-F415 VanDerWaalsContact O-CB 3.28Å; G411-F415 WeakPolarHBondContact O-CB 3.38Å; G411-F415 PolarHBondContact O-N 3.39Å; I412-F415 PolarHBondContact O-N 3.03Å; F415-D418 PolarHBondContact O-N 3.26Å; F415-W419 AromaticContact CE1-CE3 3.67Å; F415-W419 HydrophobicContact CE1-CE3 3.67Å; F415-W419 AromaticContact CE1-CZ3 3.95Å; F415-W419 HydrophobicContact CE1-CZ3 3.95Å; F415-W419 HydrophobicContact CZ-CE3 4.06Å; F415-W419 HydrophobicContact CZ-CZ3 4.25Å; F415-W419 PolarHBondContact O-N 3.42Å; F415-P425 HydrophobicContact CE2-CB 4.17Å; F415-P425 HydrophobicContact CZ-CB 3.82Å; F415-P426 HydrophobicContact CD2-CG 3.61Å; F415-P426 HydrophobicContact CE2-CG 3.98Å; F415-P426 HydrophobicContact CG-CG 4.39Å; F415-Y427 HydrophobicContact CD2-CD1 4.18Å; F415-Y427 HydrophobicContact CD2-CD2 4.45Å; F415-Y427 AromaticContact CD2-CE1 3.76Å; F415-Y427 HydrophobicContact CD2-CE1 3.76Å; F415-Y427 HydrophobicContact CD2-CE2 4.07Å; F415-Y427 AromaticContact CD2-CZ 3.71Å; F415-Y427 HydrophobicContact CE2-CD2 4.31Å; F415-Y427 HydrophobicContact CE2-CE1 4.46Å; F415-Y427 HydrophobicContact CE2-CE2 4.28Å; F415-Y427 HydrophobicContact CE2-CG 4.44Å; F415-Y427 WeakPolarHBondContact CE2-O 3.48Å; F415-L429 HydrophobicContact CD1-CD1 4.17Å; F415-L429 HydrophobicContact CD2-CD1 3.67Å; F415-L429 HydrophobicContact CE1-CB 4.22Å; F415-L429 HydrophobicContact CE1-CD1 4.1Å; F415-L429 HydrophobicContact CE2-CB 3.75Å; F415-L429 HydrophobicContact CE2-CD1 3.59Å; F415-L429 HydrophobicContact CE2-CG 4.28Å; F415-L429 HydrophobicContact CG-CD1 3.97Å; F415-L429 HydrophobicContact CZ-CB 3.5Å; F415-L429 VanDerWaalsContact CZ-CB 3.5Å; F415-L429 HydrophobicContact CZ-CD1 3.83Å; F415-L429 HydrophobicContact CZ-CG 4.32Å
416	L	98.9	Very high	98.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-36.9	178.1	-76	178.1	0	0	0	112.7	L69 V387 W397 A399 I412 K414 W419 I420	L69-L416 HydrophobicContact CD1-CB 3.72Å; L69-L416 HydrophobicContact CD2-CD1 4.34Å; V387-L416 HydrophobicContact CG1-CD1 3.97Å; V387-L416 HydrophobicContact CG1-CD2 3.77Å; V387-L416 HydrophobicContact CG1-CG 3.74Å; W397-L416 HydrophobicContact CE3-CD2 4.09Å; W397-L416 HydrophobicContact CZ3-CD2 4.35Å; A399-L416 HydrophobicContact CB-CD1 3.66Å; I412-L416 HydrophobicContact CG2-CD1 4.09Å; I412-L416 HydrophobicContact CG2-CG 4.34Å; I412-L416 PolarHBondContact O-N 3.48Å; K414-L416 PolarHBondContact O-N 2.92Å; L416-W419 PolarHBondContact O-N 3.38Å; L416-I420 VanDerWaalsContact O-CB 3.3Å; L416-I420 WeakPolarHBondContact O-CB 3.44Å; L416-I420 VanDerWaalsContact O-CG1 3.24Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 3Å
417	S	98.9	Very high	98.7	Very high	2 Å²	2	22 Å²	22	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-46.7	174.1	177.3	0	0	0	0	111.6	H72 L73 G413 K414 I420 R421	H72-S417 PolarHBondContact O-OG 3.48Å; L73-S417 WeakPolarHBondContact CA-OG 3.41Å; L73-S417 PolarHBondContact N-OG 3.2Å; G413-S417 VanDerWaalsContact O-CB 3.23Å; G413-S417 WeakPolarHBondContact O-CB 3.43Å; G413-S417 PolarHBondContact O-N 3.15Å; G413-S417 VanDerWaalsContact O-N 3.08Å; K414-S417 PolarHBondContact O-N 2.99Å; S417-I420 PolarHBondContact O-N 2.89Å; S417-R421 VanDerWaalsContact O-CB 3.29Å; S417-R421 WeakPolarHBondContact O-CB 3.27Å; S417-R421 WeakPolarHBondContact O-CD 3.37Å; S417-R421 WeakPolarHBondContact O-CG 3.23Å; S417-R421 PolarHBondContact O-N 3.26Å; S417-R421 WeakPolarHBondContact OG-CD 3.21Å
418	D	98.9	Very high	98.7	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.134	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-38.9	177.7	-73	-31.2	0	0	0	111.7	K414 F415 R421 N422 P426	K414-D418 IonicContact NZ-OD2 3.86Å; K414-D418 PolarHBondContact NZ-OD2 3.38Å; K414-D418 PolarHBondContact O-N 2.97Å; F415-D418 PolarHBondContact O-N 3.26Å; D418-R421 PolarHBondContact O-N 3.26Å; D418-R421 IonicContact OD1-NH1 2.87Å; D418-R421 PolarHBondContact OD1-NH1 2.96Å; D418-N422 VanDerWaalsContact O-CB 3.23Å; D418-N422 WeakPolarHBondContact O-CB 3.45Å; D418-N422 PolarHBondContact O-N 3.21Å; D418-N422 PolarHBondContact O-ND2 2.96Å; D418-P426 HydrophobicContact CB-CB 4.12Å; D418-P426 HydrophobicContact CB-CG 4.01Å
419	W	98.8	Very high	98.7	Very high	15 Å²	15	22.3 Å²	22.3	6%	0.057	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-49.2	174.5	-165.7	-6.2	0	0	0	112	P389 W397 F415 L416 R421 N422 G423 E424 P425	P389-W419 HydrophobicContact CG-CH2 3.99Å; P389-W419 HydrophobicContact CG-CZ2 3.68Å; W397-W419 HydrophobicContact CH2-CB 4.47Å; W397-W419 AromaticContact CH2-CD1 3.84Å; W397-W419 HydrophobicContact CH2-CD2 4.18Å; W397-W419 AromaticContact CH2-CG 3.9Å; W397-W419 HydrophobicContact CH2-CG 3.9Å; W397-W419 HydrophobicContact CZ3-CB 4.23Å; W397-W419 AromaticContact CZ3-CD2 3.82Å; W397-W419 HydrophobicContact CZ3-CD2 3.82Å; W397-W419 HydrophobicContact CZ3-CE3 4.19Å; W397-W419 AromaticContact CZ3-CG 3.82Å; W397-W419 HydrophobicContact CZ3-CG 3.82Å; F415-W419 AromaticContact CE1-CE3 3.67Å; F415-W419 HydrophobicContact CE1-CE3 3.67Å; F415-W419 AromaticContact CE1-CZ3 3.95Å; F415-W419 HydrophobicContact CE1-CZ3 3.95Å; F415-W419 HydrophobicContact CZ-CE3 4.06Å; F415-W419 HydrophobicContact CZ-CZ3 4.25Å; F415-W419 PolarHBondContact O-N 3.42Å; L416-W419 PolarHBondContact O-N 3.38Å; W419-R421 PolarHBondContact O-N 2.7Å; W419-N422 PolarHBondContact O-N 3.35Å; W419-G423 PolarHBondContact NE1-O 3.14Å; W419-G423 PolarHBondContact O-N 2.78Å; W419-E424 WeakPolarHBondContact CA-O 3.19Å; W419-P425 HydrophobicContact CD2-CB 3.92Å; W419-P425 HydrophobicContact CE3-CB 3.99Å; W419-P425 HydrophobicContact CG-CB 4.37Å; W419-P425 HydrophobicContact CH2-CB 4.45Å; W419-P425 HydrophobicContact CZ2-CB 4.4Å; W419-P425 HydrophobicContact CZ2-CG 4.34Å; W419-P425 HydrophobicContact CZ3-CB 4.26Å
420	I	98.8	Very high	98.7	Very high	19 Å²	19	24 Å²	24	10%	0.097	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-33.4	178.3	-73.2	167	0	0	0	111.9	L73 V250 W397 L416 S417	L73-I420 HydrophobicContact CD1-CD1 4.48Å; L73-I420 HydrophobicContact CD2-CB 4.08Å; L73-I420 HydrophobicContact CD2-CD1 4.35Å; L73-I420 HydrophobicContact CD2-CG2 3.78Å; V250-I420 HydrophobicContact CG2-CD1 4.38Å; W397-I420 HydrophobicContact CD2-CD1 4.3Å; W397-I420 HydrophobicContact CD2-CG1 3.98Å; W397-I420 HydrophobicContact CE3-CD1 4.3Å; W397-I420 HydrophobicContact CE3-CG1 3.89Å; W397-I420 HydrophobicContact CH2-CG1 3.86Å; W397-I420 HydrophobicContact CZ2-CG1 3.93Å; W397-I420 HydrophobicContact CZ3-CG1 3.83Å; L416-I420 VanDerWaalsContact O-CB 3.3Å; L416-I420 WeakPolarHBondContact O-CB 3.44Å; L416-I420 VanDerWaalsContact O-CG1 3.24Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 3Å; S417-I420 PolarHBondContact O-N 2.89Å
421	R	98.4	Very high	98.7	Very high	107 Å²	107	26.6 Å²	26.6	40%	0.404	14%	0.139	S	C	.	.	H	α-helix	trans	-82.9	-32.3	-179.2	-70.5	162.6	67.5	-114.6	0.6	113.7	G76 V78 S417 D418 W419	G76-R421 VanDerWaalsContact O-CZ 3.3Å; G76-R421 PolarHBondContact O-NE 2.8Å; G76-R421 PolarHBondContact O-NH2 2.68Å; V78-R421 HydrophobicContact CG2-CG 3.61Å; S417-R421 VanDerWaalsContact O-CB 3.29Å; S417-R421 WeakPolarHBondContact O-CB 3.27Å; S417-R421 WeakPolarHBondContact O-CD 3.37Å; S417-R421 WeakPolarHBondContact O-CG 3.23Å; S417-R421 PolarHBondContact O-N 3.26Å; S417-R421 WeakPolarHBondContact OG-CD 3.21Å; D418-R421 PolarHBondContact O-N 3.26Å; D418-R421 IonicContact OD1-NH1 2.87Å; D418-R421 PolarHBondContact OD1-NH1 2.96Å; W419-R421 PolarHBondContact O-N 2.7Å
422	N	98.1	Very high	98.7	Very high	91 Å²	91	26.6 Å²	26.6	49%	0.487	14%	0.139	S	C	.	.	H	α-helix	trans	-105.7	-15.6	-172	-57.8	-31.1	0	0	0	114.1	D418 W419 E424	D418-N422 VanDerWaalsContact O-CB 3.23Å; D418-N422 WeakPolarHBondContact O-CB 3.45Å; D418-N422 PolarHBondContact O-N 3.21Å; D418-N422 PolarHBondContact O-ND2 2.96Å; W419-N422 PolarHBondContact O-N 3.35Å; N422-E424 VanDerWaalsContact C-N 3.25Å; N422-E424 PolarHBondContact O-N 2.92Å
423	G	97.6	Very high	98.7	Very high	46 Å²	46	26.9 Å²	26.9	47%	0.474	14%	0.14	S	C	.	.	S	Bend	trans	83.5	-14	-176	0	0	0	0	0	114.9	W419	W419-G423 PolarHBondContact NE1-O 3.14Å; W419-G423 PolarHBondContact O-N 2.78Å
424	E	98.4	Very high	98.7	Very high	16 Å²	16	27 Å²	27	8%	0.075	14%	0.141	C	C	.	.	S	Bend	trans	-129	151.1	178.7	66.8	-178.2	88.6	0	0	111.9	W419 N422 T577 P578 A579	W419-E424 WeakPolarHBondContact CA-O 3.19Å; N422-E424 VanDerWaalsContact C-N 3.25Å; N422-E424 PolarHBondContact O-N 2.92Å; E424-T577 HydrophobicContact CB-CG2 3.89Å; E424-T577 WeakPolarHBondContact OE1-CB 3.42Å; E424-T577 PolarHBondContact OE1-OG1 2.81Å; E424-T577 WeakPolarHBondContact OE2-CB 3.32Å; E424-T577 PolarHBondContact OE2-OG1 3.28Å; E424-P578 VanDerWaalsContact OE1-CD 3.27Å; E424-P578 WeakPolarHBondContact OE1-CD 3.47Å; E424-A579 WeakPolarHBondContact OE1-CB 3.37Å; E424-A579 PolarHBondContact OE1-N 3Å; E424-A579 WeakPolarHBondContact OE2-CB 3.42Å
425	P	98.7	Very high	98.7	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.032	13%	0.129	C	C	.	.			trans	-66.9	137.2	176.9	29.7	-35.2	0	0	0	110.3	F415 W419 Y427 C738	F415-P425 HydrophobicContact CE2-CB 4.17Å; F415-P425 HydrophobicContact CZ-CB 3.82Å; W419-P425 HydrophobicContact CD2-CB 3.92Å; W419-P425 HydrophobicContact CE3-CB 3.99Å; W419-P425 HydrophobicContact CG-CB 4.37Å; W419-P425 HydrophobicContact CH2-CB 4.45Å; W419-P425 HydrophobicContact CZ2-CB 4.4Å; W419-P425 HydrophobicContact CZ2-CG 4.34Å; W419-P425 HydrophobicContact CZ3-CB 4.26Å; P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 PolarHBondContact O-N 2.85Å; P425-C738 HydrophobicContact CG-CB 4.13Å
426	P	98.6	Very high	98.6	Very high	38 Å²	38	25.6 Å²	25.6	25%	0.247	14%	0.135	C	C	.	.	S	Bend	trans	-69.7	-22.8	-172.5	27.5	-36.7	0	0	0	114.4	F415 D418	F415-P426 HydrophobicContact CD2-CG 3.61Å; F415-P426 HydrophobicContact CE2-CG 3.98Å; F415-P426 HydrophobicContact CG-CG 4.39Å; D418-P426 HydrophobicContact CB-CB 4.12Å; D418-P426 HydrophobicContact CB-CG 4.01Å
427	Y	98.8	Very high	98.6	Very high	15 Å²	15	26.3 Å²	26.3	6%	0.059	14%	0.138	C	C	.	.	S	Bend	trans	-152.2	166.9	172.9	54.2	-88.7	0	0	0	107.1	N109 K112 V113 F415 P425 L429 D739	N109-Y427 HydrophobicContact CB-CD2 4.25Å; N109-Y427 HydrophobicContact CB-CE2 4.45Å; K112-Y427 HydrophobicContact CB-CE2 4.3Å; K112-Y427 HydrophobicContact CD-CD1 3.95Å; K112-Y427 HydrophobicContact CD-CD2 4.35Å; K112-Y427 HydrophobicContact CD-CE1 3.81Å; K112-Y427 HydrophobicContact CD-CE2 4.21Å; K112-Y427 HydrophobicContact CD-CG 4.22Å; K112-Y427 VanDerWaalsContact CE-CE1 3.47Å; K112-Y427 HydrophobicContact CG-CE1 4.21Å; K112-Y427 HydrophobicContact CG-CE2 4.29Å; V113-Y427 HydrophobicContact CG2-CE2 4.49Å; V113-Y427 VanDerWaalsContact CG2-OH 3.31Å; V113-Y427 WeakPolarHBondContact CG2-OH 3.38Å; F415-Y427 HydrophobicContact CD2-CD1 4.18Å; F415-Y427 HydrophobicContact CD2-CD2 4.45Å; F415-Y427 AromaticContact CD2-CE1 3.76Å; F415-Y427 HydrophobicContact CD2-CE1 3.76Å; F415-Y427 HydrophobicContact CD2-CE2 4.07Å; F415-Y427 AromaticContact CD2-CZ 3.71Å; F415-Y427 HydrophobicContact CE2-CD2 4.31Å; F415-Y427 HydrophobicContact CE2-CE1 4.46Å; F415-Y427 HydrophobicContact CE2-CE2 4.28Å; F415-Y427 HydrophobicContact CE2-CG 4.44Å; F415-Y427 WeakPolarHBondContact CE2-O 3.48Å; P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 PolarHBondContact O-N 2.85Å; Y427-L429 HydrophobicContact CD2-CD1 4.43Å; Y427-L429 HydrophobicContact CE2-CD1 3.67Å; Y427-L429 HydrophobicContact CE2-CG 4.21Å; Y427-D739 VanDerWaalsContact CA-OD1 3.27Å; Y427-D739 WeakPolarHBondContact CA-OD1 3.23Å; Y427-D739 WeakPolarHBondContact CB-OD1 3.49Å
428	D	98.9	Very high	98.4	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.032	15%	0.151	C	C	.	.			trans	-74.5	145.7	-179.3	-151.4	-79.9	0	0	0	112	N109 I430 N737 C738 D739	N109-D428 WeakPolarHBondContact CB-O 3.21Å; N109-D428 PolarHBondContact ND2-O 3.37Å; D428-I430 PolarHBondContact OD1-N 2.91Å; D428-N737 HydrophobicContact CB-CB 4.12Å; D428-N737 WeakPolarHBondContact CB-ND2 3.36Å; D428-N737 WeakPolarHBondContact OD2-CB 3.2Å; D428-C738 HydrophobicContact CB-CB 3.91Å; D428-C738 VanDerWaalsContact OD2-CB 3.23Å; D428-C738 WeakPolarHBondContact OD2-CB 3.2Å; D428-C738 PolarHBondContact OD2-N 3.26Å; D428-C738 PolarHBondContact OD2-SG 3.01Å; D428-D739 WeakPolarHBondContact CB-OD2 3.25Å; D428-D739 PolarHBondContact N-OD1 3.45Å
429	L	98.8	Very high	98.3	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.052	18%	0.181	C	C	.	.			trans	-157.4	32.4	-178.4	-127.9	170.8	0	0	0	111.5	L110 V113 I412 F415 Y427 E431 C432	L110-L429 HydrophobicContact CD2-CD2 4.2Å; L110-L429 HydrophobicContact CG-CD2 4.15Å; V113-L429 HydrophobicContact CG2-CD1 3.82Å; I412-L429 HydrophobicContact CD1-CD1 4.3Å; F415-L429 HydrophobicContact CD1-CD1 4.17Å; F415-L429 HydrophobicContact CD2-CD1 3.67Å; F415-L429 HydrophobicContact CE1-CB 4.22Å; F415-L429 HydrophobicContact CE1-CD1 4.1Å; F415-L429 HydrophobicContact CE2-CB 3.75Å; F415-L429 HydrophobicContact CE2-CD1 3.59Å; F415-L429 HydrophobicContact CE2-CG 4.28Å; F415-L429 HydrophobicContact CG-CD1 3.97Å; F415-L429 HydrophobicContact CZ-CB 3.5Å; F415-L429 VanDerWaalsContact CZ-CB 3.5Å; F415-L429 HydrophobicContact CZ-CD1 3.83Å; F415-L429 HydrophobicContact CZ-CG 4.32Å; Y427-L429 HydrophobicContact CD2-CD1 4.43Å; Y427-L429 HydrophobicContact CE2-CD1 3.67Å; Y427-L429 HydrophobicContact CE2-CG 4.21Å; L429-E431 VanDerWaalsContact C-OE2 3.26Å; L429-E431 WeakPolarHBondContact CA-OE2 3.31Å; L429-E431 HydrophobicContact CD2-CG 4.22Å; L429-E431 PolarHBondContact O-N 3.39Å; L429-E431 VanDerWaalsContact O-N 3.09Å; L429-C432 HydrophobicContact CD2-CB 3.78Å; L429-C432 PolarHBondContact O-N 3.02Å
430	I	98.7	Very high	98.2	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.185	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.6	-19.1	-176.4	-165	169.3	0	0	0	112.7	D428 C432 D433 H607 W732	D428-I430 PolarHBondContact OD1-N 2.91Å; I430-C432 PolarHBondContact O-N 3.01Å; I430-C432 VanDerWaalsContact O-N 3.12Å; I430-D433 HydrophobicContact CG1-CB 3.92Å; I430-D433 WeakPolarHBondContact O-CB 3.34Å; I430-D433 PolarHBondContact O-N 3.13Å; I430-H607 HydrophobicContact CD1-CB 3.94Å; I430-W732 HydrophobicContact CB-CH2 4.42Å; I430-W732 HydrophobicContact CD1-CH2 3.59Å; I430-W732 HydrophobicContact CD1-CZ3 3.74Å; I430-W732 HydrophobicContact CG2-CH2 4.2Å; I430-W732 HydrophobicContact CG2-CZ3 4.39Å
431	E	98.6	Very high	98.2	Very high	54 Å²	54	34.6 Å²	34.6	25%	0.252	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-62.3	-16.3	171	73.7	-94.7	-134.1	0	0	113.8	L110 L384 L429 R436	L110-E431 HydrophobicContact CD1-CG 3.83Å; L110-E431 HydrophobicContact CG-CG 4.37Å; L384-E431 HydrophobicContact CD1-CB 4Å; L384-E431 HydrophobicContact CD1-CG 4Å; L384-E431 WeakPolarHBondContact CD1-O 3.35Å; L429-E431 VanDerWaalsContact C-OE2 3.26Å; L429-E431 WeakPolarHBondContact CA-OE2 3.31Å; L429-E431 HydrophobicContact CD2-CG 4.22Å; L429-E431 PolarHBondContact O-N 3.39Å; L429-E431 VanDerWaalsContact O-N 3.09Å; E431-R436 PolarHBondContact O-NE 2.85Å
432	C	98.8	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-113.9	9.2	171.3	-61.6	0	0	0	0	114	P385 M386 V387 L429 I430 R436	P385-C432 HydrophobicContact CG-CB 4.33Å; P385-C432 WeakPolarHBondContact O-CA 3.4Å; P385-C432 WeakPolarHBondContact O-CB 3.41Å; M386-C432 CarbonylContact C-O 3.56Å; M386-C432 WeakPolarHBondContact CA-O 3.37Å; V387-C432 HydrophobicContact CB-CB 4.12Å; V387-C432 HydrophobicContact CG2-CB 4.18Å; V387-C432 PolarHBondContact N-O 3.31Å; L429-C432 HydrophobicContact CD2-CB 3.78Å; L429-C432 PolarHBondContact O-N 3.02Å; I430-C432 PolarHBondContact O-N 3.01Å; I430-C432 VanDerWaalsContact O-N 3.12Å; C432-R436 PolarHBondContact O-NH1 3.01Å
433	D	98.9	Very high	98	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.027	17%	0.173	C	C	.	.			trans	-58.1	133.1	-179.9	-168.2	-71.5	0	0	0	110.7	I430 N435 R436 H607 R610	I430-D433 HydrophobicContact CG1-CB 3.92Å; I430-D433 WeakPolarHBondContact O-CB 3.34Å; I430-D433 PolarHBondContact O-N 3.13Å; D433-N435 PolarHBondContact O-N 3.48Å; D433-N435 WeakPolarHBondContact OD1-CA 3.27Å; D433-N435 WeakPolarHBondContact OD1-CB 3.42Å; D433-N435 PolarHBondContact OD1-N 3.15Å; D433-R436 VanDerWaalsContact O-CG 3.31Å; D433-R436 WeakPolarHBondContact O-CG 3.12Å; D433-R436 PolarHBondContact O-N 3.24Å; D433-R436 PolarHBondContact O-NH1 2.9Å; D433-H607 IonicContact OD2-CD2 2.69Å; D433-H607 PolarHBondContact OD2-CD2 3.43Å; D433-R610 VanDerWaalsContact CG-NH1 3.3Å; D433-R610 IonicContact OD1-CZ 2.84Å; D433-R610 IonicContact OD1-NH1 2.66Å; D433-R610 PolarHBondContact OD1-NH1 3.18Å; D433-R610 IonicContact OD1-NH2 2.67Å; D433-R610 IonicContact OD2-CZ 2.64Å; D433-R610 VanDerWaalsContact OD2-CZ 3.26Å; D433-R610 IonicContact OD2-NH1 3Å; D433-R610 PolarHBondContact OD2-NH1 2.75Å; D433-R610 IonicContact OD2-NH2 2.76Å; D433-R610 PolarHBondContact OD2-NH2 2.99Å
434	P	98.6	Very high	98	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.013	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.9	-21.5	-178.3	26.8	-36	0	0	0	113.4	M386 V387 P389 T398	M386-P434 HydrophobicContact CB-CB 4.05Å; M386-P434 HydrophobicContact CE-CB 4.12Å; M386-P434 WeakPolarHBondContact CE-O 3.19Å; V387-P434 WeakPolarHBondContact O-CD 3.36Å; P389-P434 WeakPolarHBondContact O-CG 3.45Å; T398-P434 WeakPolarHBondContact OG1-CB 3.18Å
435	N	98.6	Very high	98	Very high	11 Å²	11	33 Å²	33	6%	0.059	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-104.4	15.8	-175.1	-52.9	121.5	0	0	0	113.2	P389 H390 Q391 D433 Y437 L606 R610	P389-N435 PolarHBondContact O-OD1 2.59Å; H390-N435 WeakPolarHBondContact CA-OD1 3.26Å; H390-N435 PolarHBondContact CE1-ND2 3.26Å; H390-N435 VanDerWaalsContact CE1-ND2 3.28Å; H390-N435 PolarHBondContact ND1-ND2 2.8Å; H390-N435 PolarHBondContact NE2-ND2 3.5Å; Q391-N435 HydrophobicContact CB-CB 4.35Å; Q391-N435 PolarHBondContact N-OD1 3.33Å; D433-N435 PolarHBondContact O-N 3.48Å; D433-N435 WeakPolarHBondContact OD1-CA 3.27Å; D433-N435 WeakPolarHBondContact OD1-CB 3.42Å; D433-N435 PolarHBondContact OD1-N 3.15Å; N435-Y437 PolarHBondContact O-N 2.89Å; N435-L606 HydrophobicContact CB-CB 3.58Å; N435-L606 HydrophobicContact CB-CD1 4.23Å; N435-R610 PolarHBondContact OD1-NH1 3.39Å
436	R	98.8	Very high	98	Very high	34 Å²	34	32.9 Å²	32.9	13%	0.128	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-67.7	-17.3	163.2	77.4	-171	-176.2	-93.2	11.1	113.1	D382 L384 P385 E431 C432 D433	D382-R436 IonicContact OD1-CZ 2.8Å; D382-R436 IonicContact OD1-NE 2.72Å; D382-R436 IonicContact OD1-NH2 3.7Å; D382-R436 PolarHBondContact OD1-NH2 2.79Å; D382-R436 IonicContact OD2-CZ 3.72Å; D382-R436 IonicContact OD2-NE 3.85Å; D382-R436 PolarHBondContact OD2-NE 2.93Å; D382-R436 IonicContact OD2-NH2 2.68Å; D382-R436 PolarHBondContact OD2-NH2 2.79Å; L384-R436 PolarHBondContact O-NH2 3.18Å; P385-R436 PolarHBondContact O-NH1 2.86Å; P385-R436 PolarHBondContact O-NH2 2.7Å; E431-R436 PolarHBondContact O-NE 2.85Å; C432-R436 PolarHBondContact O-NH1 3.01Å; D433-R436 VanDerWaalsContact O-CG 3.31Å; D433-R436 WeakPolarHBondContact O-CG 3.12Å; D433-R436 PolarHBondContact O-N 3.24Å; D433-R436 PolarHBondContact O-NH1 2.9Å
437	Y	98.6	Very high	97.9	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.063	17%	0.172	C	C	.	.			trans	-96.2	161.1	171.7	-62	-54.9	0	0	0	111.7	P269 T380 P381 D382 M386 N435 W440 T441	P269-Y437 HydrophobicContact CG-CD2 3.53Å; P269-Y437 HydrophobicContact CG-CE2 4.19Å; P269-Y437 HydrophobicContact CG-CG 3.8Å; T380-Y437 WeakPolarHBondContact CB-OH 3.44Å; T380-Y437 HydrophobicContact CG2-CE2 4.33Å; P381-Y437 HydrophobicContact CB-CE1 3.84Å; P381-Y437 WeakPolarHBondContact CD-OH 3.45Å; P381-Y437 HydrophobicContact CG-CD1 4.39Å; P381-Y437 HydrophobicContact CG-CE1 3.74Å; D382-Y437 PolarHBondContact N-OH 2.81Å; D382-Y437 PolarHBondContact OD1-OH 3.15Å; D382-Y437 PolarHBondContact OD2-OH 3.17Å; M386-Y437 HydrophobicContact CG-CD2 4.21Å; M386-Y437 HydrophobicContact CG-CE2 4.08Å; M386-Y437 HydrophobicContact SD-CD2 4Å; M386-Y437 HydrophobicContact SD-CE2 4.15Å; N435-Y437 PolarHBondContact O-N 2.89Å; Y437-W440 AromaticContact CD1-CH2 3.83Å; Y437-W440 HydrophobicContact CD1-CH2 3.83Å; Y437-W440 HydrophobicContact CD1-CZ2 4.26Å; Y437-W440 HydrophobicContact CE1-CH2 4.42Å; Y437-T441 HydrophobicContact CD1-CG2 3.65Å; Y437-T441 HydrophobicContact CE1-CG2 4.28Å; Y437-T441 HydrophobicContact CG-CG2 4.06Å
438	G	94.9	Very high	97.9	Very high	29 Å²	29	33.1 Å²	33.1	30%	0.299	18%	0.183	S	C	.	.			trans	-156.3	-162.1	-179	0	0	0	0	0	113.5	W440 T441	G438-W440 PolarHBondContact O-N 2.9Å; G438-T441 PolarHBondContact N-OG1 3.29Å; G438-T441 VanDerWaalsContact N-OG1 3.12Å; G438-T441 WeakPolarHBondContact O-CB 3.28Å; G438-T441 PolarHBondContact O-N 2.99Å; G438-T441 PolarHBondContact O-OG1 2.8Å
439	K	95.2	Very high	97.9	Very high	176 Å²	176	33.6 Å²	33.6	77%	0.765	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.5	-178.7	-53.7	171.2	-163.2	151.7	0	114	T441 D630	K439-T441 VanDerWaalsContact C-N 3.33Å; K439-D630 IonicContact NZ-OD2 2.67Å; K439-D630 PolarHBondContact NZ-OD2 2.83Å
440	W	97.7	Very high	97.9	Very high	13 Å²	13	33.1 Å²	33.1	5%	0.049	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.1	179.1	59.8	-98.4	0	0	0	113.5	Y437 G438 D442 F445 T473 R475 F491 A493	Y437-W440 AromaticContact CD1-CH2 3.83Å; Y437-W440 HydrophobicContact CD1-CH2 3.83Å; Y437-W440 HydrophobicContact CD1-CZ2 4.26Å; Y437-W440 HydrophobicContact CE1-CH2 4.42Å; G438-W440 PolarHBondContact O-N 2.9Å; W440-D442 PolarHBondContact O-N 2.76Å; W440-F445 HydrophobicContact CE3-CE1 4.41Å; W440-F445 HydrophobicContact CH2-CE1 4.46Å; W440-F445 HydrophobicContact CZ3-CD1 4.07Å; W440-F445 AromaticContact CZ3-CE1 3.58Å; W440-F445 HydrophobicContact CZ3-CE1 3.58Å; W440-F445 HydrophobicContact CZ3-CE2 4.3Å; W440-F445 AromaticContact CZ3-CZ 3.72Å; W440-F445 HydrophobicContact CZ3-CZ 3.72Å; W440-T473 HydrophobicContact CE3-CG2 4.13Å; W440-R475 HydrophobicContact CB-CB 3.89Å; W440-R475 HydrophobicContact CG-CB 4.37Å; W440-F491 HydrophobicContact CE3-CZ 4.46Å; W440-F491 HydrophobicContact CH2-CE1 4.47Å; W440-F491 AromaticContact CH2-CZ 3.79Å; W440-F491 HydrophobicContact CH2-CZ 3.79Å; W440-F491 HydrophobicContact CZ3-CE2 4.33Å; W440-F491 AromaticContact CZ3-CZ 3.66Å; W440-F491 HydrophobicContact CZ3-CZ 3.66Å; W440-A493 PolarHBondContact NE1-O 2.81Å
441	T	97.9	Very high	97.9	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.098	19%	0.186	C	C	.	.			trans	-84.7	58.6	-179.6	-40.8	0	0	0	0	109.7	P269 P381 Y437 G438 K439 F445	P269-T441 HydrophobicContact CB-CG2 3.6Å; P269-T441 HydrophobicContact CG-CG2 4.17Å; P381-T441 HydrophobicContact CG-CG2 3.76Å; Y437-T441 HydrophobicContact CD1-CG2 3.65Å; Y437-T441 HydrophobicContact CE1-CG2 4.28Å; Y437-T441 HydrophobicContact CG-CG2 4.06Å; G438-T441 PolarHBondContact N-OG1 3.29Å; G438-T441 VanDerWaalsContact N-OG1 3.12Å; G438-T441 WeakPolarHBondContact O-CB 3.28Å; G438-T441 PolarHBondContact O-N 2.99Å; G438-T441 PolarHBondContact O-OG1 2.8Å; K439-T441 VanDerWaalsContact C-N 3.33Å; T441-F445 HydrophobicContact CG2-CD1 3.87Å; T441-F445 HydrophobicContact CG2-CE1 4.18Å
442	D	96.8	Very high	97.9	Very high	69 Å²	69	32.6 Å²	32.6	37%	0.369	18%	0.176	S	C	.	.			trans	-72.3	175	-178	68.2	25.1	0	0	0	113.1	W440 P444 F445 M446	W440-D442 PolarHBondContact O-N 2.76Å; D442-P444 VanDerWaalsContact OD1-CD 3.27Å; D442-P444 WeakPolarHBondContact OD1-CD 3.24Å; D442-F445 PolarHBondContact O-N 2.76Å; D442-F445 WeakPolarHBondContact OD1-CB 3.37Å; D442-F445 PolarHBondContact OD1-N 3.08Å; D442-M446 VanDerWaalsContact O-CB 3.25Å; D442-M446 WeakPolarHBondContact O-CB 3.31Å; D442-M446 PolarHBondContact O-N 3.4Å
443	V	96.6	Very high	97.9	Very high	58 Å²	58	32.7 Å²	32.7	35%	0.352	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-46.5	-178.4	173.4	0	0	0	0	112.3	V330 F445 M446 C447	V330-V443 HydrophobicContact CG1-CG1 3.79Å; V330-V443 HydrophobicContact CG1-CG2 3.89Å; V443-F445 PolarHBondContact O-N 3.21Å; V443-M446 HydrophobicContact CG1-CE 4.3Å; V443-M446 HydrophobicContact CG2-CE 4.26Å; V443-M446 PolarHBondContact O-N 3.05Å; V443-C447 WeakPolarHBondContact O-CB 3.19Å; V443-C447 PolarHBondContact O-N 3.43Å; V443-C447 PolarHBondContact O-SG 3.4Å
444	P	97.3	Very high	97.9	Very high	93 Å²	93	32.5 Å²	32.5	60%	0.604	18%	0.175	S	C	*	.	H	α-helix	trans	-52.2	-49.1	170.9	-29.3	35.4	0	0	0	114.2	D442 A448	D442-P444 VanDerWaalsContact OD1-CD 3.27Å; D442-P444 WeakPolarHBondContact OD1-CD 3.24Å; P444-A448 WeakPolarHBondContact O-CB 3.47Å; P444-A448 PolarHBondContact O-N 3.44Å
445	F	98.4	Very high	97.9	Very high	7 Å²	7	33 Å²	33	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-50.3	176.4	178.6	-88.6	0	0	0	111.2	P381 W440 T441 D442 V443 C447 A448 K449 G470 T473 F491	P381-F445 HydrophobicContact CB-CD1 4.43Å; P381-F445 HydrophobicContact CB-CE1 3.78Å; P381-F445 HydrophobicContact CG-CD1 4.38Å; P381-F445 HydrophobicContact CG-CE1 4.13Å; W440-F445 HydrophobicContact CE3-CE1 4.41Å; W440-F445 HydrophobicContact CH2-CE1 4.46Å; W440-F445 HydrophobicContact CZ3-CD1 4.07Å; W440-F445 AromaticContact CZ3-CE1 3.58Å; W440-F445 HydrophobicContact CZ3-CE1 3.58Å; W440-F445 HydrophobicContact CZ3-CE2 4.3Å; W440-F445 AromaticContact CZ3-CZ 3.72Å; W440-F445 HydrophobicContact CZ3-CZ 3.72Å; T441-F445 HydrophobicContact CG2-CD1 3.87Å; T441-F445 HydrophobicContact CG2-CE1 4.18Å; D442-F445 PolarHBondContact O-N 2.76Å; D442-F445 WeakPolarHBondContact OD1-CB 3.37Å; D442-F445 PolarHBondContact OD1-N 3.08Å; V443-F445 PolarHBondContact O-N 3.21Å; F445-C447 PolarHBondContact O-N 3.17Å; F445-A448 PolarHBondContact O-N 2.87Å; F445-K449 HydrophobicContact CD1-CB 4.41Å; F445-K449 HydrophobicContact CE1-CB 3.98Å; F445-K449 HydrophobicContact CE1-CD 4.42Å; F445-K449 HydrophobicContact CE1-CG 4.07Å; F445-K449 HydrophobicContact CE2-CD 4.07Å; F445-K449 HydrophobicContact CZ-CB 4.15Å; F445-K449 HydrophobicContact CZ-CD 3.75Å; F445-K449 HydrophobicContact CZ-CG 3.86Å; F445-K449 VanDerWaalsContact O-CB 3.31Å; F445-K449 WeakPolarHBondContact O-CB 3.37Å; F445-K449 PolarHBondContact O-N 2.56Å; F445-G470 WeakPolarHBondContact CD2-O 3.19Å; F445-T473 HydrophobicContact CD2-CG2 3.75Å; F445-T473 HydrophobicContact CE2-CG2 3.82Å; F445-F491 AromaticContact CE2-CE2 3.97Å; F445-F491 HydrophobicContact CE2-CE2 3.97Å; F445-F491 HydrophobicContact CE2-CZ 4.09Å; F445-F491 HydrophobicContact CZ-CE2 4.12Å; F445-F491 AromaticContact CZ-CZ 3.75Å; F445-F491 HydrophobicContact CZ-CZ 3.75Å
446	M	97.8	Very high	97.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-48	-179.1	177.8	-173.9	67.2	0	0	111.9	P269 T270 I271 V330 P381 D442 V443 K449 A450	P269-M446 VanDerWaalsContact CA-SD 3.56Å; P269-M446 HydrophobicContact CB-SD 4.3Å; T270-M446 PolarHBondContact N-SD 2.86Å; T270-M446 VanDerWaalsContact N-SD 3.37Å; I271-M446 HydrophobicContact CB-CE 4.03Å; I271-M446 HydrophobicContact CB-CG 4.33Å; I271-M446 HydrophobicContact CB-SD 4.14Å; I271-M446 HydrophobicContact CD1-CE 4.46Å; I271-M446 HydrophobicContact CG2-CG 4.1Å; I271-M446 HydrophobicContact CG2-SD 4.5Å; V330-M446 HydrophobicContact CB-CE 4.41Å; V330-M446 HydrophobicContact CG1-CE 3.64Å; V330-M446 HydrophobicContact CG2-CE 3.84Å; P381-M446 HydrophobicContact CG-CB 4.49Å; P381-M446 HydrophobicContact CG-CG 4.41Å; D442-M446 VanDerWaalsContact O-CB 3.25Å; D442-M446 WeakPolarHBondContact O-CB 3.31Å; D442-M446 PolarHBondContact O-N 3.4Å; V443-M446 HydrophobicContact CG1-CE 4.3Å; V443-M446 HydrophobicContact CG2-CE 4.26Å; V443-M446 PolarHBondContact O-N 3.05Å; M446-K449 PolarHBondContact O-N 2.98Å; M446-A450 VanDerWaalsContact O-CB 3.23Å; M446-A450 WeakPolarHBondContact O-CB 3.12Å; M446-A450 PolarHBondContact O-N 3.23Å
447	C	98.1	Very high	97.9	Very high	24 Å²	24	34.7 Å²	34.7	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-45.6	177.8	-69.7	0	0	0	0	111.8	I271 V443 F445 R451	I271-C447 WeakPolarHBondContact CD1-SG 3.27Å; V443-C447 WeakPolarHBondContact O-CB 3.19Å; V443-C447 PolarHBondContact O-N 3.43Å; V443-C447 PolarHBondContact O-SG 3.4Å; F445-C447 PolarHBondContact O-N 3.17Å; C447-R451 WeakPolarHBondContact O-CB 3.48Å; C447-R451 PolarHBondContact O-N 3.01Å
448	A	98.4	Very high	97.9	Very high	35 Å²	35	34 Å²	34	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-42.4	179.4	0	0	0	0	0	112.3	P444 F445 E452	P444-A448 WeakPolarHBondContact O-CB 3.47Å; P444-A448 PolarHBondContact O-N 3.44Å; F445-A448 PolarHBondContact O-N 2.87Å; A448-E452 WeakPolarHBondContact O-CB 3.44Å; A448-E452 PolarHBondContact O-N 3.47Å
449	K	98.7	Very high	98	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-76.6	-38.6	-176.6	-146.4	75.9	-178.3	161.6	0	113	P381 F445 M446 R451 E452 S453 R467 G469	P381-K449 HydrophobicContact CB-CB 3.8Å; P381-K449 HydrophobicContact CB-CG 3.96Å; P381-K449 CarbonylContact O-C 3.21Å; P381-K449 VanDerWaalsContact O-CG 3.25Å; P381-K449 WeakPolarHBondContact O-CG 3.48Å; F445-K449 HydrophobicContact CD1-CB 4.41Å; F445-K449 HydrophobicContact CE1-CB 3.98Å; F445-K449 HydrophobicContact CE1-CD 4.42Å; F445-K449 HydrophobicContact CE1-CG 4.07Å; F445-K449 HydrophobicContact CE2-CD 4.07Å; F445-K449 HydrophobicContact CZ-CB 4.15Å; F445-K449 HydrophobicContact CZ-CD 3.75Å; F445-K449 HydrophobicContact CZ-CG 3.86Å; F445-K449 VanDerWaalsContact O-CB 3.31Å; F445-K449 WeakPolarHBondContact O-CB 3.37Å; F445-K449 PolarHBondContact O-N 2.56Å; M446-K449 PolarHBondContact O-N 2.98Å; K449-R451 VanDerWaalsContact C-N 3.31Å; K449-R451 PolarHBondContact O-N 3.41Å; K449-E452 WeakPolarHBondContact CD-OE2 3.01Å; K449-E452 WeakPolarHBondContact CE-OE2 3.43Å; K449-E452 IonicContact NZ-OE1 3.71Å; K449-E452 IonicContact NZ-OE2 3.97Å; K449-E452 PolarHBondContact NZ-OE2 2.88Å; K449-E452 PolarHBondContact O-N 3.46Å; K449-S453 VanDerWaalsContact O-CB 3.3Å; K449-S453 WeakPolarHBondContact O-CB 3.31Å; K449-S453 PolarHBondContact O-N 3.12Å; K449-S453 PolarHBondContact O-OG 2.93Å; K449-S453 VanDerWaalsContact O-OG 3.13Å; K449-R467 PolarHBondContact NZ-O 2.72Å; K449-G469 WeakPolarHBondContact CD-O 3.48Å; K449-G469 WeakPolarHBondContact CE-O 3.32Å; K449-G469 PolarHBondContact NZ-O 3.1Å
450	A	98.6	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-37.2	173.3	0	0	0	0	0	111.8	I271 M446 Y454	I271-A450 HydrophobicContact CG2-CB 3.45Å; I271-A450 VanDerWaalsContact CG2-CB 3.45Å; M446-A450 VanDerWaalsContact O-CB 3.23Å; M446-A450 WeakPolarHBondContact O-CB 3.12Å; M446-A450 PolarHBondContact O-N 3.23Å; A450-Y454 WeakPolarHBondContact O-CB 3.33Å; A450-Y454 PolarHBondContact O-N 2.61Å
451	R	98.7	Very high	98.2	Very high	70 Å²	70	28.4 Å²	28.4	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-64.1	-45.9	173.2	176	170.5	-71.4	-81.6	-3.9	112.4	M320 M323 L325 C447 K449 Y454 G455	M320-R451 HydrophobicContact CB-CG 4.09Å; M320-R451 WeakPolarHBondContact O-CD 3.47Å; M320-R451 WeakPolarHBondContact O-CG 3.21Å; M320-R451 PolarHBondContact O-NH1 2.85Å; M323-R451 HydrophobicContact CG-CG 4.13Å; M323-R451 VanDerWaalsContact O-CZ 3.27Å; M323-R451 PolarHBondContact O-NH1 3.32Å; M323-R451 PolarHBondContact O-NH2 3.04Å; M323-R451 HydrophobicContact SD-CB 4Å; M323-R451 HydrophobicContact SD-CG 3.82Å; L325-R451 HydrophobicContact CD2-CB 3.98Å; C447-R451 WeakPolarHBondContact O-CB 3.48Å; C447-R451 PolarHBondContact O-N 3.01Å; K449-R451 VanDerWaalsContact C-N 3.31Å; K449-R451 PolarHBondContact O-N 3.41Å; R451-Y454 PolarHBondContact O-N 3.45Å; R451-G455 PolarHBondContact O-N 3.33Å; R451-G455 VanDerWaalsContact O-N 3.12Å
452	E	98.8	Very high	98.3	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-51.4	172.7	-174.9	-178.6	-133.6	0	0	111	A448 K449 Y454 G455 F456 F468 G469	A448-E452 WeakPolarHBondContact O-CB 3.44Å; A448-E452 PolarHBondContact O-N 3.47Å; K449-E452 WeakPolarHBondContact CD-OE2 3.01Å; K449-E452 WeakPolarHBondContact CE-OE2 3.43Å; K449-E452 IonicContact NZ-OE1 3.71Å; K449-E452 IonicContact NZ-OE2 3.97Å; K449-E452 PolarHBondContact NZ-OE2 2.88Å; K449-E452 PolarHBondContact O-N 3.46Å; E452-Y454 VanDerWaalsContact C-N 3.28Å; E452-Y454 PolarHBondContact O-N 3.05Å; E452-G455 PolarHBondContact O-N 3.05Å; E452-F456 HydrophobicContact CG-CD1 4.27Å; E452-F456 HydrophobicContact CG-CD2 4.32Å; E452-F456 HydrophobicContact CG-CE1 4.25Å; E452-F456 HydrophobicContact CG-CE2 4.29Å; E452-F456 HydrophobicContact CG-CG 4.31Å; E452-F456 HydrophobicContact CG-CZ 4.26Å; E452-F456 VanDerWaalsContact O-CB 3.24Å; E452-F456 WeakPolarHBondContact O-CB 3.4Å; E452-F456 WeakPolarHBondContact O-CD1 3.22Å; E452-F456 WeakPolarHBondContact O-CG 3.46Å; E452-F456 PolarHBondContact O-N 3.42Å; E452-F468 PolarHBondContact OE1-N 3.41Å; E452-G469 VanDerWaalsContact CD-N 3.31Å; E452-G469 PolarHBondContact OE1-N 3.32Å; E452-G469 PolarHBondContact OE2-N 3.2Å
453	S	98.8	Very high	98.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-24.1	-178.9	-67.3	0	0	0	0	114.3	P381 K449 R467	P381-S453 PolarHBondContact O-OG 3.19Å; K449-S453 VanDerWaalsContact O-CB 3.3Å; K449-S453 WeakPolarHBondContact O-CB 3.31Å; K449-S453 PolarHBondContact O-N 3.12Å; K449-S453 PolarHBondContact O-OG 2.93Å; K449-S453 VanDerWaalsContact O-OG 3.13Å; S453-R467 PolarHBondContact OG-NH1 3.28Å
454	Y	98.8	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-72.9	-53.2	168	-175.1	-84.6	0	0	0	111.5	V273 H275 Y317 E318 M323 Y379 A450 R451 E452 F456 N457	V273-Y454 HydrophobicContact CG2-CD2 4.02Å; V273-Y454 HydrophobicContact CG2-CE2 4.41Å; H275-Y454 HydrophobicContact CB-CE2 4.13Å; H275-Y454 AromaticContact ND1-CE2 3.98Å; H275-Y454 AromaticContact ND1-CZ 3.92Å; H275-Y454 PolarHBondContact ND1-OH 3.02Å; Y317-Y454 HydrophobicContact CD1-CD2 4.02Å; Y317-Y454 HydrophobicContact CD1-CE1 4.24Å; Y317-Y454 AromaticContact CD1-CE2 3.7Å; Y317-Y454 HydrophobicContact CD1-CE2 3.7Å; Y317-Y454 HydrophobicContact CD1-CG 4.43Å; Y317-Y454 AromaticContact CD1-CZ 3.82Å; Y317-Y454 HydrophobicContact CE1-CD2 4.38Å; Y317-Y454 HydrophobicContact CE1-CE2 4.06Å; E318-Y454 HydrophobicContact CG-CE1 4.19Å; E318-Y454 WeakPolarHBondContact OE2-CE1 3.19Å; E318-Y454 VanDerWaalsContact OE2-CZ 3.32Å; E318-Y454 PolarHBondContact OE2-OH 2.93Å; M323-Y454 HydrophobicContact CB-CD1 3.51Å; M323-Y454 HydrophobicContact CB-CE1 3.63Å; M323-Y454 HydrophobicContact CB-CG 4.35Å; M323-Y454 HydrophobicContact CE-CD1 4.08Å; M323-Y454 HydrophobicContact CE-CD2 4.16Å; M323-Y454 HydrophobicContact CE-CG 3.74Å; M323-Y454 HydrophobicContact CG-CD1 3.8Å; M323-Y454 HydrophobicContact CG-CE1 4.43Å; M323-Y454 HydrophobicContact CG-CG 4.34Å; Y379-Y454 AromaticContact CE1-CD2 3.88Å; Y379-Y454 HydrophobicContact CE1-CD2 3.88Å; Y379-Y454 HydrophobicContact CE1-CG 4.35Å; Y379-Y454 AromaticContact CZ-CD2 3.82Å; A450-Y454 WeakPolarHBondContact O-CB 3.33Å; A450-Y454 PolarHBondContact O-N 2.61Å; R451-Y454 PolarHBondContact O-N 3.45Å; E452-Y454 VanDerWaalsContact C-N 3.28Å; E452-Y454 PolarHBondContact O-N 3.05Å; Y454-F456 PolarHBondContact O-N 2.96Å; Y454-N457 VanDerWaalsContact O-CB 3.29Å; Y454-N457 WeakPolarHBondContact O-CB 3.43Å; Y454-N457 PolarHBondContact O-N 3.37Å; Y454-N457 VanDerWaalsContact O-N 3.13Å
455	G	98.3	Very high	98.5	Very high	13 Å²	13	29 Å²	29	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-27.4	178.3	0	0	0	0	0	113.1	R451 E452 N457	R451-G455 PolarHBondContact O-N 3.33Å; R451-G455 VanDerWaalsContact O-N 3.12Å; E452-G455 PolarHBondContact O-N 3.05Å; G455-N457 VanDerWaalsContact C-N 3.33Å
456	F	98.6	Very high	98.5	Very high	63 Å²	63	29.5 Å²	29.5	28%	0.276	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.3	178.8	-76.8	33.1	0	0	0	112.9	E452 Y454 N458 V459 R467	E452-F456 HydrophobicContact CG-CD1 4.27Å; E452-F456 HydrophobicContact CG-CD2 4.32Å; E452-F456 HydrophobicContact CG-CE1 4.25Å; E452-F456 HydrophobicContact CG-CE2 4.29Å; E452-F456 HydrophobicContact CG-CG 4.31Å; E452-F456 HydrophobicContact CG-CZ 4.26Å; E452-F456 VanDerWaalsContact O-CB 3.24Å; E452-F456 WeakPolarHBondContact O-CB 3.4Å; E452-F456 WeakPolarHBondContact O-CD1 3.22Å; E452-F456 WeakPolarHBondContact O-CG 3.46Å; E452-F456 PolarHBondContact O-N 3.42Å; Y454-F456 PolarHBondContact O-N 2.96Å; F456-N458 PolarHBondContact O-N 3.41Å; F456-N458 VanDerWaalsContact O-N 3.12Å; F456-V459 HydrophobicContact CB-CG1 4.34Å; F456-V459 HydrophobicContact CB-CG2 3.76Å; F456-V459 HydrophobicContact CD1-CG1 4.21Å; F456-V459 HydrophobicContact CD2-CG2 3.82Å; F456-V459 HydrophobicContact CG-CG1 4.15Å; F456-V459 HydrophobicContact CG-CG2 3.87Å; F456-R467 HydrophobicContact CD2-CG 4.27Å; F456-R467 HydrophobicContact CE2-CG 4.23Å
457	N	98.5	Very high	98.5	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.091	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29	-177.8	-160.8	-87.8	0	0	0	113.8	R297 Y317 Y404 Y454 G455	R297-N457 PolarHBondContact NH1-OD1 2.98Å; Y317-N457 HydrophobicContact CD1-CB 3.58Å; Y317-N457 HydrophobicContact CD2-CB 4Å; Y317-N457 WeakPolarHBondContact CD2-OD1 3.42Å; Y317-N457 HydrophobicContact CE1-CB 4.05Å; Y317-N457 VanDerWaalsContact CE1-CG 3.49Å; Y317-N457 VanDerWaalsContact CE1-ND2 3.33Å; Y317-N457 WeakPolarHBondContact CE1-ND2 3.41Å; Y317-N457 HydrophobicContact CE2-CB 4.4Å; Y317-N457 WeakPolarHBondContact CE2-OD1 3.47Å; Y317-N457 HydrophobicContact CG-CB 3.54Å; Y404-N457 PolarHBondContact OH-ND2 3.04Å; Y404-N457 PolarHBondContact OH-OD1 3.31Å; Y454-N457 VanDerWaalsContact O-CB 3.29Å; Y454-N457 WeakPolarHBondContact O-CB 3.43Å; Y454-N457 PolarHBondContact O-N 3.37Å; Y454-N457 VanDerWaalsContact O-N 3.13Å; G455-N457 VanDerWaalsContact C-N 3.33Å
458	N	98.5	Very high	98.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	10.7	-176.2	-59.7	-61.1	0	0	0	114.3	R148 R297 S302 F456	R148-N458 PolarHBondContact NH1-O 3.15Å; R148-N458 PolarHBondContact NH2-O 2.83Å; R297-N458 WeakPolarHBondContact CD-OD1 3.4Å; R297-N458 PolarHBondContact NH1-OD1 2.84Å; S302-N458 WeakPolarHBondContact CA-ND2 3.41Å; S302-N458 PolarHBondContact OG-ND2 2.77Å; F456-N458 PolarHBondContact O-N 3.41Å; F456-N458 VanDerWaalsContact O-N 3.12Å
459	V	98	Very high	98.5	Very high	56 Å²	56	35.4 Å²	35.4	34%	0.339	18%	0.175	S	C	.	.	S	Bend	trans	-65.5	171.3	174.6	-61.6	0	0	0	0	111.5	R148 F456 G461	R148-V459 PolarHBondContact NH1-O 3.47Å; F456-V459 HydrophobicContact CB-CG1 4.34Å; F456-V459 HydrophobicContact CB-CG2 3.76Å; F456-V459 HydrophobicContact CD1-CG1 4.21Å; F456-V459 HydrophobicContact CD2-CG2 3.82Å; F456-V459 HydrophobicContact CG-CG1 4.15Å; F456-V459 HydrophobicContact CG-CG2 3.87Å; V459-G461 PolarHBondContact O-N 3.09Å
460	V	98.7	Very high	98.5	Very high	24 Å²	24	36 Å²	36	15%	0.145	19%	0.186	C	C	.	.			trans	-72.3	114.2	178.7	-177.2	0	0	0	0	109.7	A147 E151 Y462 F514	A147-V460 HydrophobicContact CB-CG2 4.27Å; E151-V460 HydrophobicContact CB-CG1 4.34Å; V460-Y462 HydrophobicContact CB-CD2 3.97Å; V460-Y462 HydrophobicContact CB-CE2 3.56Å; V460-Y462 HydrophobicContact CG1-CD1 4.04Å; V460-Y462 HydrophobicContact CG1-CD2 3.79Å; V460-Y462 HydrophobicContact CG1-CE1 3.77Å; V460-Y462 HydrophobicContact CG1-CE2 3.52Å; V460-Y462 HydrophobicContact CG1-CG 4.05Å; V460-Y462 HydrophobicContact CG2-CE2 4.42Å; V460-Y462 WeakPolarHBondContact O-CD2 3.24Å; V460-Y462 PolarHBondContact O-N 2.93Å; V460-F514 HydrophobicContact CG1-CE2 3.66Å; V460-F514 HydrophobicContact CG1-CZ 3.62Å
461	G	98.3	Very high	98.5	Very high	19 Å²	19	38.3 Å²	38.3	20%	0.196	19%	0.194	C	C	.	.			trans	-75.8	82.6	174.8	0	0	0	0	0	111.6	E151 V459	E151-G461 PolarHBondContact OE1-N 3.45Å; V459-G461 PolarHBondContact O-N 3.09Å
462	Y	98.8	Very high	98.5	Very high	59 Å²	59	38.2 Å²	38.2	23%	0.231	20%	0.202	C	C	.	.			trans	-74.5	151.8	175.6	-69.5	-75.8	0	0	0	112.3	V460 E465 P512 F514	V460-Y462 HydrophobicContact CB-CD2 3.97Å; V460-Y462 HydrophobicContact CB-CE2 3.56Å; V460-Y462 HydrophobicContact CG1-CD1 4.04Å; V460-Y462 HydrophobicContact CG1-CD2 3.79Å; V460-Y462 HydrophobicContact CG1-CE1 3.77Å; V460-Y462 HydrophobicContact CG1-CE2 3.52Å; V460-Y462 HydrophobicContact CG1-CG 4.05Å; V460-Y462 HydrophobicContact CG2-CE2 4.42Å; V460-Y462 WeakPolarHBondContact O-CD2 3.24Å; V460-Y462 PolarHBondContact O-N 2.93Å; Y462-E465 PolarHBondContact O-N 3.37Å; Y462-P512 HydrophobicContact CD1-CB 4.46Å; Y462-P512 HydrophobicContact CD2-CB 3.63Å; Y462-P512 HydrophobicContact CD2-CG 3.88Å; Y462-P512 HydrophobicContact CE2-CB 4.23Å; Y462-P512 HydrophobicContact CE2-CG 4.06Å; Y462-P512 HydrophobicContact CG-CB 3.75Å; Y462-P512 HydrophobicContact CG-CG 4.46Å; Y462-F514 HydrophobicContact CD1-CD1 4.35Å; Y462-F514 AromaticContact CD1-CD2 3.67Å; Y462-F514 HydrophobicContact CD1-CD2 3.67Å; Y462-F514 HydrophobicContact CD1-CE1 4.13Å; Y462-F514 AromaticContact CD1-CE2 3.43Å; Y462-F514 HydrophobicContact CD1-CE2 3.43Å; Y462-F514 VanDerWaalsContact CD1-CE2 3.43Å; Y462-F514 HydrophobicContact CD1-CG 4.11Å; Y462-F514 AromaticContact CD1-CZ 3.65Å; Y462-F514 HydrophobicContact CD1-CZ 3.65Å; Y462-F514 AromaticContact CE1-CD2 3.61Å; Y462-F514 HydrophobicContact CE1-CD2 3.61Å; Y462-F514 AromaticContact CE1-CE2 3.37Å; Y462-F514 HydrophobicContact CE1-CE2 3.37Å; Y462-F514 HydrophobicContact CE1-CG 4.45Å; Y462-F514 HydrophobicContact CE1-CZ 4.04Å; Y462-F514 HydrophobicContact CG-CE2 4.43Å; Y462-F514 HydrophobicContact CG-CZ 4.3Å
463	P	98.4	Very high	98.4	Very high	22 Å²	22	38.4 Å²	38.4	14%	0.143	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	143.6	164.7	29.8	-35.6	0	0	0	109.7	Y154 E465 S513 F514 E790	Y154-P463 HydrophobicContact CE2-CB 4.07Å; Y154-P463 HydrophobicContact CE2-CG 4.43Å; P463-E465 VanDerWaalsContact C-N 3.29Å; P463-E465 PolarHBondContact O-N 3.16Å; P463-S513 VanDerWaalsContact CG-O 3.27Å; P463-S513 WeakPolarHBondContact CG-O 3.37Å; P463-F514 VanDerWaalsContact CD-CD1 3.4Å; P463-F514 HydrophobicContact CG-CD1 4.26Å; P463-E790 WeakPolarHBondContact CB-OE2 3.48Å
464	K	98.1	Very high	98.4	Very high	104 Å²	104	42.6 Å²	42.6	45%	0.452	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.3	-174.3	-44	-50.3	178.9	-145	0	113.8	E466 E790	K464-E466 PolarHBondContact O-N 3.5Å; K464-E790 VanDerWaalsContact CE-OE2 3.28Å; K464-E790 WeakPolarHBondContact CE-OE2 3.35Å; K464-E790 IonicContact NZ-OE2 3.45Å; K464-E790 PolarHBondContact NZ-OE2 3.16Å
465	E	98.6	Very high	98.3	Very high	64 Å²	64	43.5 Å²	43.5	30%	0.299	24%	0.237	S	C	.	.			trans	-54.1	124.7	174.2	-166.8	-175.4	147.6	0	0	111.9	Y462 P463 R467 Y510	Y462-E465 PolarHBondContact O-N 3.37Å; P463-E465 VanDerWaalsContact C-N 3.29Å; P463-E465 PolarHBondContact O-N 3.16Å; E465-R467 IonicContact OE1-CZ 3.56Å; E465-R467 IonicContact OE1-NE 2.7Å; E465-R467 PolarHBondContact OE1-NE 3.23Å; E465-R467 IonicContact OE1-NH2 3.49Å; E465-R467 PolarHBondContact OE1-NH2 2.66Å; E465-R467 IonicContact OE2-NH2 2.92Å; E465-Y510 WeakPolarHBondContact CA-OH 3.06Å
466	E	98.7	Very high	98.3	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.079	25%	0.246	C	C	.	.			trans	-100.2	139.1	169.6	-60.4	-174.5	-150.5	0	0	110.1	K464 F468 S488 Y510	K464-E466 PolarHBondContact O-N 3.5Å; E466-F468 HydrophobicContact CB-CE1 4.29Å; E466-F468 HydrophobicContact CB-CE2 4.14Å; E466-F468 HydrophobicContact CB-CZ 3.64Å; E466-F468 WeakPolarHBondContact OE2-CZ 3.34Å; E466-S488 PolarHBondContact OE1-OG 3.32Å; E466-S488 PolarHBondContact OE2-OG 2.91Å; E466-Y510 HydrophobicContact CB-CD2 3.7Å; E466-Y510 HydrophobicContact CB-CE2 3.5Å; E466-Y510 HydrophobicContact CB-CG 4.36Å; E466-Y510 HydrophobicContact CG-CD2 3.79Å; E466-Y510 HydrophobicContact CG-CE2 3.74Å; E466-Y510 PolarHBondContact N-OH 3.12Å; E466-Y510 PolarHBondContact O-OH 2.85Å
467	R	98.5	Very high	98.3	Very high	64 Å²	64	42.6 Å²	42.6	24%	0.242	24%	0.235	C	C	.	.			trans	-127.1	142.5	175.4	-71.6	-168.6	-174	-170.9	-0.9	110.4	K449 S453 F456 E465 R471	K449-R467 PolarHBondContact NZ-O 2.72Å; S453-R467 PolarHBondContact OG-NH1 3.28Å; F456-R467 HydrophobicContact CD2-CG 4.27Å; F456-R467 HydrophobicContact CE2-CG 4.23Å; E465-R467 IonicContact OE1-CZ 3.56Å; E465-R467 IonicContact OE1-NE 2.7Å; E465-R467 PolarHBondContact OE1-NE 3.23Å; E465-R467 IonicContact OE1-NH2 3.49Å; E465-R467 PolarHBondContact OE1-NH2 2.66Å; E465-R467 IonicContact OE2-NH2 2.92Å; R467-R471 WeakPolarHBondContact O-CD 3.21Å; R467-R471 PolarHBondContact O-NH1 3.36Å
468	F	98.4	Very high	98.2	Very high	104 Å²	104	43.3 Å²	43.3	46%	0.456	25%	0.246	S	C	.	.			trans	-116	-16.8	-165.2	-58.5	-74.7	0	0	0	114.2	E452 E466 G470 R471 Y510	E452-F468 PolarHBondContact OE1-N 3.41Å; E466-F468 HydrophobicContact CB-CE1 4.29Å; E466-F468 HydrophobicContact CB-CE2 4.14Å; E466-F468 HydrophobicContact CB-CZ 3.64Å; E466-F468 WeakPolarHBondContact OE2-CZ 3.34Å; F468-G470 PolarHBondContact O-N 2.79Å; F468-R471 PolarHBondContact O-N 3.01Å; F468-Y510 AromaticContact CE2-CD1 3.81Å; F468-Y510 HydrophobicContact CE2-CD1 3.81Å; F468-Y510 HydrophobicContact CE2-CE1 4.27Å; F468-Y510 HydrophobicContact CE2-CG 4.1Å; F468-Y510 HydrophobicContact CZ-CD1 4.21Å; F468-Y510 HydrophobicContact CZ-CG 4.02Å
469	G	97.9	Very high	98.2	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	132.8	174.4	0	0	0	0	0	112.2	K449 E452 R471	K449-G469 WeakPolarHBondContact CD-O 3.48Å; K449-G469 WeakPolarHBondContact CE-O 3.32Å; K449-G469 PolarHBondContact NZ-O 3.1Å; E452-G469 VanDerWaalsContact CD-N 3.31Å; E452-G469 PolarHBondContact OE1-N 3.32Å; E452-G469 PolarHBondContact OE2-N 3.2Å; G469-R471 VanDerWaalsContact C-N 3.29Å; G469-R471 PolarHBondContact O-N 3.29Å
470	G	97.9	Very high	98.2	Very high	28 Å²	28	41.9 Å²	41.9	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	6.5	177.4	0	0	0	0	0	116.6	F445 F468	F445-G470 WeakPolarHBondContact CD2-O 3.19Å; F468-G470 PolarHBondContact O-N 2.79Å
471	R	98.6	Very high	98.2	Very high	48 Å²	48	46.4 Å²	46.4	18%	0.181	25%	0.254	C	S	.	.			trans	-101.1	148.9	-176.4	-68.7	171.2	60.7	-156.7	-4.2	113	R467 F468 G469 M489 F491 E496	R467-R471 WeakPolarHBondContact O-CD 3.21Å; R467-R471 PolarHBondContact O-NH1 3.36Å; F468-R471 PolarHBondContact O-N 3.01Å; G469-R471 VanDerWaalsContact C-N 3.29Å; G469-R471 PolarHBondContact O-N 3.29Å; R471-M489 PolarHBondContact NH2-O 2.75Å; R471-F491 HydrophobicContact CG-CD2 4Å; R471-E496 WeakPolarHBondContact CB-OE1 3.46Å; R471-E496 WeakPolarHBondContact CG-OE1 3.36Å; R471-E496 IonicContact CZ-OE1 2.66Å; R471-E496 IonicContact CZ-OE2 3.38Å; R471-E496 IonicContact NE-OE1 2.66Å; R471-E496 PolarHBondContact NE-OE1 3.11Å; R471-E496 IonicContact NE-OE2 2.71Å; R471-E496 PolarHBondContact NE-OE2 2.9Å; R471-E496 IonicContact NH2-OE1 3.7Å; R471-E496 IonicContact NH2-OE2 2.75Å; R471-E496 PolarHBondContact NH2-OE2 3.15Å
472	P	98.5	Very high	98.2	Very high	67 Å²	67	47.7 Å²	47.7	44%	0.435	26%	0.256	S	S	.	.	S	Bend	cis	-71.6	157	-9.2	33.5	-37.7	0	0	0	111.7	T476 Y480 E496	P472-T476 HydrophobicContact CB-CG2 4.1Å; P472-Y480 HydrophobicContact CB-CE1 4.41Å; P472-Y480 HydrophobicContact CB-CE2 4.47Å; P472-Y480 HydrophobicContact CG-CE1 4.38Å; P472-E496 HydrophobicContact CB-CG 3.84Å
473	T	98.6	Very high	98.2	Very high	15 Å²	15	45 Å²	45	9%	0.092	25%	0.246	C	C	.	.			trans	-84.6	179.5	172.3	83.4	0	0	0	0	111.3	W440 F445 R475 F491 G494	W440-T473 HydrophobicContact CE3-CG2 4.13Å; F445-T473 HydrophobicContact CD2-CG2 3.75Å; F445-T473 HydrophobicContact CE2-CG2 3.82Å; T473-R475 PolarHBondContact O-N 3.35Å; T473-R475 WeakPolarHBondContact OG1-CB 3.49Å; T473-R475 PolarHBondContact OG1-N 3.49Å; T473-F491 HydrophobicContact CG2-CE2 3.8Å; T473-G494 WeakPolarHBondContact CG2-O 3.23Å; T473-G494 PolarHBondContact OG1-O 3.22Å
474	S	96.9	Very high	98.2	Very high	89 Å²	89	47 Å²	47	62%	0.622	25%	0.252	S	S	*	.	S	Bend	trans	-64.9	-7.9	168.9	51.6	0	0	0	0	114.6	T476	S474-T476 PolarHBondContact O-N 2.84Å
475	R	97.9	Very high	98.2	Very high	19 Å²	19	48.1 Å²	48.1	7%	0.072	26%	0.263	C	S	.	.			trans	-99.6	57.3	-176	-151.9	-175	-153.5	-165.1	0.7	112.6	W440 T473 A493 W495 E605 D630	W440-R475 HydrophobicContact CB-CB 3.89Å; W440-R475 HydrophobicContact CG-CB 4.37Å; T473-R475 PolarHBondContact O-N 3.35Å; T473-R475 WeakPolarHBondContact OG1-CB 3.49Å; T473-R475 PolarHBondContact OG1-N 3.49Å; R475-A493 PolarHBondContact NH1-O 2.9Å; R475-A493 VanDerWaalsContact NH1-O 3.08Å; R475-W495 VanDerWaalsContact CD-CE2 3.48Å; R475-W495 HydrophobicContact CG-CD2 3.72Å; R475-W495 HydrophobicContact CG-CE3 3.94Å; R475-W495 HydrophobicContact CG-CG 4.3Å; R475-W495 HydrophobicContact CG-CH2 3.89Å; R475-W495 HydrophobicContact CG-CZ2 3.72Å; R475-W495 HydrophobicContact CG-CZ3 4Å; R475-W495 WeakPolarHBondContact O-CA 3.28Å; R475-E605 IonicContact CZ-OE2 3.72Å; R475-E605 IonicContact NH1-OE2 2.81Å; R475-E605 PolarHBondContact NH1-OE2 3Å; R475-E605 VanDerWaalsContact NH2-CD 3.29Å; R475-E605 IonicContact NH2-OE1 2.71Å; R475-E605 PolarHBondContact NH2-OE1 3.44Å; R475-E605 IonicContact NH2-OE2 2.75Å; R475-E605 PolarHBondContact NH2-OE2 3.23Å; R475-D630 IonicContact CZ-OD1 3.73Å; R475-D630 VanDerWaalsContact CZ-OD1 3.25Å; R475-D630 IonicContact NE-OD1 3.15Å; R475-D630 PolarHBondContact NE-OD1 2.91Å; R475-D630 IonicContact NH2-OD1 3.57Å; R475-D630 PolarHBondContact NH2-OD1 3.35Å
476	T	98.3	Very high	98.2	Very high	52 Å²	52	50.1 Å²	50.1	32%	0.319	27%	0.271	S	S	.	.			trans	-93.1	144.1	174.9	53	0	0	0	0	111.8	P472 S474 Y480 E496	P472-T476 HydrophobicContact CB-CG2 4.1Å; S474-T476 PolarHBondContact O-N 2.84Å; T476-Y480 HydrophobicContact CG2-CD1 3.69Å; T476-Y480 HydrophobicContact CG2-CD2 4.12Å; T476-Y480 HydrophobicContact CG2-CE1 4.04Å; T476-Y480 HydrophobicContact CG2-CE2 4.45Å; T476-Y480 HydrophobicContact CG2-CG 3.74Å; T476-E496 HydrophobicContact CG2-CG 4.48Å
477	S	97.8	Very high	98.2	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.042	27%	0.268	C	S	.	.			trans	-70.3	158.4	172.3	71.9	0	0	0	0	112.1	V479 Y480 D538	S477-V479 PolarHBondContact O-N 3.4Å; S477-V479 WeakPolarHBondContact OG-CG2 3.41Å; S477-V479 PolarHBondContact OG-N 2.64Å; S477-Y480 WeakPolarHBondContact O-CB 3.47Å; S477-Y480 PolarHBondContact O-N 3.17Å; S477-Y480 PolarHBondContact OG-N 2.9Å; S477-D538 WeakPolarHBondContact CB-OD2 3.49Å; S477-D538 PolarHBondContact OG-OD2 3.4Å
478	G	96.9	Very high	98.2	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-3.4	174.2	0	0	0	0	0	115.7	A697	G478-A697 WeakPolarHBondContact O-CB 3.47Å
479	V	98.4	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-4.7	173.8	-68.9	0	0	0	0	114.1	S477 E481 L482 L483 D538 L635 L696 Y700	S477-V479 PolarHBondContact O-N 3.4Å; S477-V479 WeakPolarHBondContact OG-CG2 3.41Å; S477-V479 PolarHBondContact OG-N 2.64Å; V479-E481 PolarHBondContact O-N 3.2Å; V479-L482 WeakPolarHBondContact O-CA 3.4Å; V479-L482 WeakPolarHBondContact O-CB 3.46Å; V479-L482 PolarHBondContact O-N 2.91Å; V479-L483 HydrophobicContact CB-CD1 3.99Å; V479-L483 HydrophobicContact CB-CG 4.37Å; V479-L483 HydrophobicContact CG2-CD1 3.7Å; V479-L483 WeakPolarHBondContact O-CG 3.4Å; V479-L483 PolarHBondContact O-N 2.86Å; V479-D538 HydrophobicContact CG2-CB 4.07Å; V479-D538 VanDerWaalsContact CG2-OD2 3.31Å; V479-D538 WeakPolarHBondContact CG2-OD2 3.39Å; V479-L635 HydrophobicContact CG1-CD2 4.45Å; V479-L635 HydrophobicContact CG2-CD2 4.45Å; V479-L696 HydrophobicContact CG1-CB 4.42Å; V479-L696 HydrophobicContact CG1-CD2 4.1Å; V479-L696 HydrophobicContact CG1-CG 3.95Å; V479-L696 HydrophobicContact CG2-CD2 4.06Å; V479-Y700 HydrophobicContact CG1-CD1 4.2Å; V479-Y700 HydrophobicContact CG1-CG 3.91Å
480	Y	98.7	Very high	98.3	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-49	-52.3	-177.6	170.7	-101.3	0	0	0	113.3	P472 T476 S477 L482 L483 K484 M489 E496	P472-Y480 HydrophobicContact CB-CE1 4.41Å; P472-Y480 HydrophobicContact CB-CE2 4.47Å; P472-Y480 HydrophobicContact CG-CE1 4.38Å; T476-Y480 HydrophobicContact CG2-CD1 3.69Å; T476-Y480 HydrophobicContact CG2-CD2 4.12Å; T476-Y480 HydrophobicContact CG2-CE1 4.04Å; T476-Y480 HydrophobicContact CG2-CE2 4.45Å; T476-Y480 HydrophobicContact CG2-CG 3.74Å; S477-Y480 WeakPolarHBondContact O-CB 3.47Å; S477-Y480 PolarHBondContact O-N 3.17Å; S477-Y480 PolarHBondContact OG-N 2.9Å; Y480-L482 PolarHBondContact O-N 2.87Å; Y480-L482 VanDerWaalsContact O-N 3.16Å; Y480-L483 PolarHBondContact O-N 2.92Å; Y480-K484 HydrophobicContact CD1-CD 4.49Å; Y480-K484 HydrophobicContact CD2-CB 4.43Å; Y480-K484 HydrophobicContact CE1-CB 4.48Å; Y480-K484 HydrophobicContact CE1-CD 3.85Å; Y480-K484 HydrophobicContact CE2-CB 3.97Å; Y480-K484 PolarHBondContact O-N 3.01Å; Y480-M489 HydrophobicContact CD2-CE 3.65Å; Y480-M489 HydrophobicContact CD2-SD 4.2Å; Y480-M489 HydrophobicContact CE2-CE 4.14Å; Y480-M489 HydrophobicContact CE2-CG 4.17Å; Y480-M489 HydrophobicContact CE2-SD 4.42Å; Y480-E496 HydrophobicContact CD2-CB 3.6Å; Y480-E496 HydrophobicContact CD2-CG 4.19Å; Y480-E496 HydrophobicContact CE2-CB 3.61Å; Y480-E496 HydrophobicContact CE2-CG 3.78Å
481	E	98.4	Very high	98.3	Very high	119 Å²	119	43.4 Å²	43.4	56%	0.556	23%	0.232	S	C	*	.	H	α-helix	trans	-62.7	-20.8	178.7	-73	-64.1	112.9	0	0	114	V479 K484	V479-E481 PolarHBondContact O-N 3.2Å; E481-K484 WeakPolarHBondContact OE1-CD 3.23Å; E481-K484 WeakPolarHBondContact OE1-CE 3.38Å; E481-K484 IonicContact OE1-NZ 3.21Å; E481-K484 PolarHBondContact OE1-NZ 2.96Å; E481-K484 IonicContact OE2-NZ 2.7Å; E481-K484 PolarHBondContact OE2-NZ 3.3Å
482	L	98.4	Very high	98.3	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-87.1	-13.7	175.9	-58.5	179.9	0	0	0	113	V479 Y480 K486 A697 Y700 Q701	V479-L482 WeakPolarHBondContact O-CA 3.4Å; V479-L482 WeakPolarHBondContact O-CB 3.46Å; V479-L482 PolarHBondContact O-N 2.91Å; Y480-L482 PolarHBondContact O-N 2.87Å; Y480-L482 VanDerWaalsContact O-N 3.16Å; L482-K486 PolarHBondContact O-NZ 2.92Å; L482-A697 HydrophobicContact CD1-CB 3.99Å; L482-Y700 HydrophobicContact CB-CE1 4.2Å; L482-Y700 HydrophobicContact CD1-CD1 3.69Å; L482-Y700 HydrophobicContact CD1-CE1 4.1Å; L482-Q701 HydrophobicContact CD1-CG 3.99Å
483	L	98.7	Very high	98.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-120.7	-29.2	-168.6	-61.5	179.4	0	0	0	114.1	V479 Y480 D485 K486 C487 M489 P498 F501 Y700	V479-L483 HydrophobicContact CB-CD1 3.99Å; V479-L483 HydrophobicContact CB-CG 4.37Å; V479-L483 HydrophobicContact CG2-CD1 3.7Å; V479-L483 WeakPolarHBondContact O-CG 3.4Å; V479-L483 PolarHBondContact O-N 2.86Å; Y480-L483 PolarHBondContact O-N 2.92Å; L483-D485 VanDerWaalsContact C-N 3.3Å; L483-D485 PolarHBondContact O-N 3.43Å; L483-D485 VanDerWaalsContact O-N 3.15Å; L483-K486 WeakPolarHBondContact O-CA 3.17Å; L483-K486 WeakPolarHBondContact O-CB 3.37Å; L483-K486 PolarHBondContact O-N 3.38Å; L483-C487 PolarHBondContact O-N 2.85Å; L483-C487 PolarHBondContact O-SG 2.74Å; L483-M489 HydrophobicContact CB-CE 3.69Å; L483-P498 HydrophobicContact CD1-CG 4.09Å; L483-F501 HydrophobicContact CD2-CE1 4.06Å; L483-F501 HydrophobicContact CD2-CZ 4.33Å; L483-Y700 HydrophobicContact CD2-CE1 4.27Å; L483-Y700 HydrophobicContact CD2-CE2 4.27Å; L483-Y700 WeakPolarHBondContact CD2-OH 3.34Å
484	K	98.2	Very high	98.3	Very high	63 Å²	63	40.8 Å²	40.8	27%	0.274	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-51.8	-41.1	-170.7	69.1	-175	-180	-174.9	0	114.4	Y480 E481 K486 M489	Y480-K484 HydrophobicContact CD1-CD 4.49Å; Y480-K484 HydrophobicContact CD2-CB 4.43Å; Y480-K484 HydrophobicContact CE1-CB 4.48Å; Y480-K484 HydrophobicContact CE1-CD 3.85Å; Y480-K484 HydrophobicContact CE2-CB 3.97Å; Y480-K484 PolarHBondContact O-N 3.01Å; E481-K484 WeakPolarHBondContact OE1-CD 3.23Å; E481-K484 WeakPolarHBondContact OE1-CE 3.38Å; E481-K484 IonicContact OE1-NZ 3.21Å; E481-K484 PolarHBondContact OE1-NZ 2.96Å; E481-K484 IonicContact OE2-NZ 2.7Å; E481-K484 PolarHBondContact OE2-NZ 3.3Å; K484-K486 PolarHBondContact O-N 2.87Å; K484-M489 HydrophobicContact CB-CE 4.2Å
485	D	97.7	Very high	98.4	Very high	127 Å²	127	36.7 Å²	36.7	68%	0.679	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-82.5	7.8	-178.5	-48.7	-66.3	0	0	0	113.5	L483	L483-D485 VanDerWaalsContact C-N 3.3Å; L483-D485 PolarHBondContact O-N 3.43Å; L483-D485 VanDerWaalsContact O-N 3.15Å
486	K	98.3	Very high	98.4	Very high	106 Å²	106	36 Å²	36	46%	0.461	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-127.7	-1.1	-171.5	-59.6	166.9	-169.5	155.9	0	113.6	L482 L483 K484 F501 Y502	L482-K486 PolarHBondContact O-NZ 2.92Å; L483-K486 WeakPolarHBondContact O-CA 3.17Å; L483-K486 WeakPolarHBondContact O-CB 3.37Å; L483-K486 PolarHBondContact O-N 3.38Å; K484-K486 PolarHBondContact O-N 2.87Å; K486-F501 HydrophobicContact CB-CD1 4.44Å; K486-F501 VanDerWaalsContact O-CD1 3.31Å; K486-F501 WeakPolarHBondContact O-CD1 3.33Å; K486-Y502 PolarHBondContact O-N 3.11Å
487	C	98.8	Very high	98.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	164.8	-177.5	58.1	0	0	0	0	111.6	L483 P498 W500 F501 Y502	L483-C487 PolarHBondContact O-N 2.85Å; L483-C487 PolarHBondContact O-SG 2.74Å; C487-P498 HydrophobicContact CB-CB 4Å; C487-W500 CarbonylContact C-O 3.45Å; C487-W500 WeakPolarHBondContact CA-O 3.41Å; C487-W500 WeakPolarHBondContact CB-O 3.43Å; C487-F501 HydrophobicContact CB-CD1 3.69Å; C487-F501 HydrophobicContact CB-CD2 4.34Å; C487-F501 HydrophobicContact CB-CE1 3.7Å; C487-F501 HydrophobicContact CB-CE2 4.36Å; C487-F501 HydrophobicContact CB-CG 4.02Å; C487-F501 HydrophobicContact CB-CZ 4.06Å; C487-Y502 VanDerWaalsContact C-CE2 3.41Å; C487-Y502 VanDerWaalsContact O-CE2 3.22Å; C487-Y502 WeakPolarHBondContact O-CE2 3.06Å; C487-Y502 VanDerWaalsContact O-CZ 3.26Å; C487-Y502 PolarHBondContact O-OH 3.01Å; C487-Y502 VanDerWaalsContact O-OH 3.13Å
488	S	98.8	Very high	98.5	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.7	155.7	-161.9	0	0	0	0	107.6	E466 H499 W500 Y502	E466-S488 PolarHBondContact OE1-OG 3.32Å; E466-S488 PolarHBondContact OE2-OG 2.91Å; S488-H499 PolarHBondContact O-N 3.22Å; S488-W500 VanDerWaalsContact CB-NE1 3.34Å; S488-W500 PolarHBondContact N-O 2.76Å; S488-Y502 WeakPolarHBondContact CA-OH 3.39Å; S488-Y502 PolarHBondContact N-OH 3.12Å
489	M	98.9	Very high	98.6	Very high	16 Å²	16	33.6 Å²	33.6	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.6	171.1	-75.2	-71.2	-172	0	0	108.9	R471 Y480 L483 K484 E496 P498	R471-M489 PolarHBondContact NH2-O 2.75Å; Y480-M489 HydrophobicContact CD2-CE 3.65Å; Y480-M489 HydrophobicContact CD2-SD 4.2Å; Y480-M489 HydrophobicContact CE2-CE 4.14Å; Y480-M489 HydrophobicContact CE2-CG 4.17Å; Y480-M489 HydrophobicContact CE2-SD 4.42Å; L483-M489 HydrophobicContact CB-CE 3.69Å; K484-M489 HydrophobicContact CB-CE 4.2Å; M489-E496 HydrophobicContact CB-CB 4.47Å; M489-E496 WeakPolarHBondContact CB-OE2 3.45Å; M489-E496 HydrophobicContact SD-CB 4.21Å; M489-P498 HydrophobicContact CE-CG 4.09Å; M489-P498 HydrophobicContact SD-CG 3.93Å
490	G	98.8	Very high	98.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145.9	173.6	0	0	0	0	0	112.5	H492 E496 Q497 H499	G490-H492 PolarHBondContact O-CD2 3.29Å; G490-E496 WeakPolarHBondContact O-CA 3.46Å; G490-Q497 WeakPolarHBondContact CA-O 3.38Å; G490-Q497 PolarHBondContact N-O 3.49Å; G490-Q497 PolarHBondContact O-N 2.99Å; G490-H499 WeakPolarHBondContact CA-NE2 3.39Å
491	F	98.9	Very high	98.7	Very high	63 Å²	63	32.6 Å²	32.6	28%	0.276	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.1	178.4	179.7	-95.9	0	0	0	111.9	W440 F445 R471 T473 W495	W440-F491 HydrophobicContact CE3-CZ 4.46Å; W440-F491 HydrophobicContact CH2-CE1 4.47Å; W440-F491 AromaticContact CH2-CZ 3.79Å; W440-F491 HydrophobicContact CH2-CZ 3.79Å; W440-F491 HydrophobicContact CZ3-CE2 4.33Å; W440-F491 AromaticContact CZ3-CZ 3.66Å; W440-F491 HydrophobicContact CZ3-CZ 3.66Å; F445-F491 AromaticContact CE2-CE2 3.97Å; F445-F491 HydrophobicContact CE2-CE2 3.97Å; F445-F491 HydrophobicContact CE2-CZ 4.09Å; F445-F491 HydrophobicContact CZ-CE2 4.12Å; F445-F491 AromaticContact CZ-CZ 3.75Å; F445-F491 HydrophobicContact CZ-CZ 3.75Å; R471-F491 HydrophobicContact CG-CD2 4Å; T473-F491 HydrophobicContact CG2-CE2 3.8Å; F491-W495 CarbonylContact C-O 3.38Å; F491-W495 WeakPolarHBondContact CA-O 3.13Å
492	H	98.8	Very high	98.7	Very high	54 Å²	54	29.4 Å²	29.4	25%	0.25	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	103.2	-178.6	-62	-81.6	0	0	0	111.8	G490 G494 W495 H499	G490-H492 PolarHBondContact O-CD2 3.29Å; H492-G494 VanDerWaalsContact C-N 3.29Å; H492-G494 PolarHBondContact O-N 3.48Å; H492-W495 PolarHBondContact N-O 3.36Å; H492-W495 VanDerWaalsContact O-CB 3.32Å; H492-W495 WeakPolarHBondContact O-CB 3.31Å; H492-W495 PolarHBondContact O-N 3.04Å; H492-H499 AromaticContact CE1-NE2 3.59Å; H492-H499 AromaticContact NE2-CD2 3.53Å; H492-H499 AromaticContact NE2-NE2 2.93Å; H492-H499 PolarHBondContact NE2-NE2 2.93Å
493	A	98.4	Very high	98.6	Very high	20 Å²	20	30.7 Å²	30.7	17%	0.165	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	46.4	178.3	0	0	0	0	0	113.7	W440 R475 W495 S602	W440-A493 PolarHBondContact NE1-O 2.81Å; R475-A493 PolarHBondContact NH1-O 2.9Å; R475-A493 VanDerWaalsContact NH1-O 3.08Å; A493-W495 VanDerWaalsContact C-N 3.31Å; A493-W495 PolarHBondContact O-N 3.19Å; A493-S602 WeakPolarHBondContact CB-O 3.37Å
494	G	98.6	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-28.4	-175.5	0	0	0	0	0	114.3	T473 H492	T473-G494 WeakPolarHBondContact CG2-O 3.23Å; T473-G494 PolarHBondContact OG1-O 3.22Å; H492-G494 VanDerWaalsContact C-N 3.29Å; H492-G494 PolarHBondContact O-N 3.48Å
495	W	98.9	Very high	98.4	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146.4	-176.6	-60	97	0	0	0	113.4	R475 F491 H492 A493 T540 P541 T629	R475-W495 VanDerWaalsContact CD-CE2 3.48Å; R475-W495 HydrophobicContact CG-CD2 3.72Å; R475-W495 HydrophobicContact CG-CE3 3.94Å; R475-W495 HydrophobicContact CG-CG 4.3Å; R475-W495 HydrophobicContact CG-CH2 3.89Å; R475-W495 HydrophobicContact CG-CZ2 3.72Å; R475-W495 HydrophobicContact CG-CZ3 4Å; R475-W495 WeakPolarHBondContact O-CA 3.28Å; F491-W495 CarbonylContact C-O 3.38Å; F491-W495 WeakPolarHBondContact CA-O 3.13Å; H492-W495 PolarHBondContact N-O 3.36Å; H492-W495 VanDerWaalsContact O-CB 3.32Å; H492-W495 WeakPolarHBondContact O-CB 3.31Å; H492-W495 PolarHBondContact O-N 3.04Å; A493-W495 VanDerWaalsContact C-N 3.31Å; A493-W495 PolarHBondContact O-N 3.19Å; W495-T540 HydrophobicContact CE3-CG2 4.17Å; W495-T540 HydrophobicContact CH2-CG2 3.8Å; W495-T540 HydrophobicContact CZ2-CG2 4.47Å; W495-T540 HydrophobicContact CZ3-CG2 3.62Å; W495-P541 HydrophobicContact CB-CB 3.92Å; W495-P541 HydrophobicContact CB-CG 3.7Å; W495-P541 HydrophobicContact CD2-CB 4.3Å; W495-P541 HydrophobicContact CD2-CG 4.27Å; W495-P541 HydrophobicContact CG-CB 3.68Å; W495-P541 HydrophobicContact CG-CG 3.81Å; W495-T629 HydrophobicContact CZ2-CG2 4.13Å
496	E	98.9	Very high	98.4	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.5	163.4	-63.1	-64.6	150.5	0	0	108.7	R471 P472 T476 Y480 M489 G490	R471-E496 WeakPolarHBondContact CB-OE1 3.46Å; R471-E496 WeakPolarHBondContact CG-OE1 3.36Å; R471-E496 IonicContact CZ-OE1 2.66Å; R471-E496 IonicContact CZ-OE2 3.38Å; R471-E496 IonicContact NE-OE1 2.66Å; R471-E496 PolarHBondContact NE-OE1 3.11Å; R471-E496 IonicContact NE-OE2 2.71Å; R471-E496 PolarHBondContact NE-OE2 2.9Å; R471-E496 IonicContact NH2-OE1 3.7Å; R471-E496 IonicContact NH2-OE2 2.75Å; R471-E496 PolarHBondContact NH2-OE2 3.15Å; P472-E496 HydrophobicContact CB-CG 3.84Å; T476-E496 HydrophobicContact CG2-CG 4.48Å; Y480-E496 HydrophobicContact CD2-CB 3.6Å; Y480-E496 HydrophobicContact CD2-CG 4.19Å; Y480-E496 HydrophobicContact CE2-CB 3.61Å; Y480-E496 HydrophobicContact CE2-CG 3.78Å; M489-E496 HydrophobicContact CB-CB 4.47Å; M489-E496 WeakPolarHBondContact CB-OE2 3.45Å; M489-E496 HydrophobicContact SD-CB 4.21Å; G490-E496 WeakPolarHBondContact O-CA 3.46Å
497	Q	98.9	Very high	98.4	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.7	-177.2	-165.9	-177.6	16.6	0	0	111.1	G490 H499 D538 P541 T717	G490-Q497 WeakPolarHBondContact CA-O 3.38Å; G490-Q497 PolarHBondContact N-O 3.49Å; G490-Q497 PolarHBondContact O-N 2.99Å; Q497-H499 PolarHBondContact O-N 3.06Å; Q497-D538 PolarHBondContact NE2-O 2.82Å; Q497-P541 HydrophobicContact CB-CG 3.94Å; Q497-P541 HydrophobicContact CG-CG 3.92Å; Q497-T717 VanDerWaalsContact CD-CG2 3.49Å; Q497-T717 HydrophobicContact CG-CG2 4.03Å
498	P	98.9	Very high	98.2	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	122.2	-179.4	-26.6	34.7	0	0	0	114	L483 C487 M489 F501 G716 T717	L483-P498 HydrophobicContact CD1-CG 4.09Å; C487-P498 HydrophobicContact CB-CB 4Å; M489-P498 HydrophobicContact CE-CG 4.09Å; M489-P498 HydrophobicContact SD-CG 3.93Å; P498-F501 HydrophobicContact CB-CD2 4.36Å; P498-F501 HydrophobicContact CB-CE1 4.47Å; P498-F501 HydrophobicContact CB-CE2 3.41Å; P498-F501 VanDerWaalsContact CB-CE2 3.41Å; P498-F501 HydrophobicContact CB-CZ 3.47Å; P498-F501 VanDerWaalsContact CB-CZ 3.47Å; P498-F501 HydrophobicContact CG-CE2 4.1Å; P498-F501 HydrophobicContact CG-CZ 3.67Å; P498-G716 CarbonylContact O-C 3.48Å; P498-G716 WeakPolarHBondContact O-CA 3.28Å; P498-T717 PolarHBondContact O-N 2.88Å
499	H	98.9	Very high	98.1	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-48.5	170.6	-80.9	-175.8	0	0	0	111.6	S488 G490 H492 Q497 G716 T717 Y718	S488-H499 PolarHBondContact O-N 3.22Å; G490-H499 WeakPolarHBondContact CA-NE2 3.39Å; H492-H499 AromaticContact CE1-NE2 3.59Å; H492-H499 AromaticContact NE2-CD2 3.53Å; H492-H499 AromaticContact NE2-NE2 2.93Å; H492-H499 PolarHBondContact NE2-NE2 2.93Å; Q497-H499 PolarHBondContact O-N 3.06Å; H499-G716 CarbonylContact O-C 3.58Å; H499-G716 VanDerWaalsContact O-C 3.31Å; H499-G716 WeakPolarHBondContact O-CA 3.08Å; H499-T717 PolarHBondContact CD2-OG1 3.03Å; H499-T717 VanDerWaalsContact CD2-OG1 3.3Å; H499-T717 PolarHBondContact O-N 3.48Å; H499-Y718 HydrophobicContact CB-CD1 3.88Å; H499-Y718 HydrophobicContact CB-CD2 4.42Å; H499-Y718 HydrophobicContact CB-CE1 3.64Å; H499-Y718 HydrophobicContact CB-CE2 4.23Å; H499-Y718 HydrophobicContact CB-CG 4.27Å; H499-Y718 AromaticContact CD2-CE1 3.81Å; H499-Y718 AromaticContact CE1-CE1 3.75Å; H499-Y718 AromaticContact CG-CD1 3.95Å; H499-Y718 AromaticContact CG-CE1 3.31Å; H499-Y718 AromaticContact CG-CZ 3.67Å; H499-Y718 AromaticContact ND1-CE1 3.27Å; H499-Y718 VanDerWaalsContact ND1-CE1 3.27Å; H499-Y718 WeakPolarHBondContact ND1-CE1 3.39Å; H499-Y718 AromaticContact ND1-CZ 3.27Å; H499-Y718 VanDerWaalsContact ND1-CZ 3.27Å; H499-Y718 PolarHBondContact ND1-OH 2.9Å; H499-Y718 WeakPolarHBondContact O-CB 3.45Å; H499-Y718 PolarHBondContact O-N 3.38Å
500	W	98.9	Very high	98	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	156.9	-178.3	64	-83.5	0	0	0	111.1	C487 S488 Y502 W519 P522 V523 E526	C487-W500 CarbonylContact C-O 3.45Å; C487-W500 WeakPolarHBondContact CA-O 3.41Å; C487-W500 WeakPolarHBondContact CB-O 3.43Å; S488-W500 VanDerWaalsContact CB-NE1 3.34Å; S488-W500 PolarHBondContact N-O 2.76Å; W500-Y502 HydrophobicContact CD2-CE1 4.39Å; W500-Y502 AromaticContact CE3-CD1 3.95Å; W500-Y502 HydrophobicContact CE3-CD1 3.95Å; W500-Y502 HydrophobicContact CE3-CE1 4.16Å; W500-Y502 AromaticContact CH2-CD1 3.72Å; W500-Y502 HydrophobicContact CH2-CD1 3.72Å; W500-Y502 AromaticContact CH2-CE1 3.55Å; W500-Y502 HydrophobicContact CH2-CE1 3.55Å; W500-Y502 HydrophobicContact CZ2-CD1 4.34Å; W500-Y502 AromaticContact CZ2-CE1 3.74Å; W500-Y502 HydrophobicContact CZ2-CE1 3.74Å; W500-Y502 AromaticContact CZ3-CD1 3.48Å; W500-Y502 HydrophobicContact CZ3-CD1 3.48Å; W500-Y502 VanDerWaalsContact CZ3-CD1 3.48Å; W500-Y502 AromaticContact CZ3-CE1 3.76Å; W500-Y502 HydrophobicContact CZ3-CE1 3.76Å; W500-W519 HydrophobicContact CB-CB 4.41Å; W500-W519 HydrophobicContact CD2-CB 3.58Å; W500-W519 HydrophobicContact CE3-CB 4.18Å; W500-W519 HydrophobicContact CG-CB 3.68Å; W500-W519 HydrophobicContact CZ2-CB 4.05Å; W500-P522 HydrophobicContact CE3-CB 3.53Å; W500-P522 HydrophobicContact CE3-CG 3.81Å; W500-P522 HydrophobicContact CZ3-CB 3.86Å; W500-P522 HydrophobicContact CZ3-CG 3.58Å; W500-V523 HydrophobicContact CB-CG2 3.75Å; W500-E526 WeakPolarHBondContact CA-OE1 3.27Å
501	F	98.9	Very high	98	Very high	6 Å²	6	44 Å²	44	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137	-169.9	-80	-91	0	0	0	114.6	L483 K486 C487 P498 E526 N714	L483-F501 HydrophobicContact CD2-CE1 4.06Å; L483-F501 HydrophobicContact CD2-CZ 4.33Å; K486-F501 HydrophobicContact CB-CD1 4.44Å; K486-F501 VanDerWaalsContact O-CD1 3.31Å; K486-F501 WeakPolarHBondContact O-CD1 3.33Å; C487-F501 HydrophobicContact CB-CD1 3.69Å; C487-F501 HydrophobicContact CB-CD2 4.34Å; C487-F501 HydrophobicContact CB-CE1 3.7Å; C487-F501 HydrophobicContact CB-CE2 4.36Å; C487-F501 HydrophobicContact CB-CG 4.02Å; C487-F501 HydrophobicContact CB-CZ 4.06Å; P498-F501 HydrophobicContact CB-CD2 4.36Å; P498-F501 HydrophobicContact CB-CE1 4.47Å; P498-F501 HydrophobicContact CB-CE2 3.41Å; P498-F501 VanDerWaalsContact CB-CE2 3.41Å; P498-F501 HydrophobicContact CB-CZ 3.47Å; P498-F501 VanDerWaalsContact CB-CZ 3.47Å; P498-F501 HydrophobicContact CG-CE2 4.1Å; P498-F501 HydrophobicContact CG-CZ 3.67Å; F501-E526 PolarHBondContact N-OE1 3.14Å; F501-N714 HydrophobicContact CD1-CB 3.65Å; F501-N714 HydrophobicContact CD2-CB 3.78Å; F501-N714 HydrophobicContact CE1-CB 3.5Å; F501-N714 HydrophobicContact CE2-CB 3.61Å; F501-N714 HydrophobicContact CG-CB 3.8Å; F501-N714 HydrophobicContact CZ-CB 3.48Å; F501-N714 VanDerWaalsContact CZ-CB 3.48Å
502	Y	98.5	Very high	98	Very high	52 Å²	52	43 Å²	43	20%	0.204	25%	0.252	C	S	.	.			trans	-78.8	148.9	-179.7	-50.5	-36.2	0	0	0	112.6	K486 C487 S488 W500 T508	K486-Y502 PolarHBondContact O-N 3.11Å; C487-Y502 VanDerWaalsContact C-CE2 3.41Å; C487-Y502 VanDerWaalsContact O-CE2 3.22Å; C487-Y502 WeakPolarHBondContact O-CE2 3.06Å; C487-Y502 VanDerWaalsContact O-CZ 3.26Å; C487-Y502 PolarHBondContact O-OH 3.01Å; C487-Y502 VanDerWaalsContact O-OH 3.13Å; S488-Y502 WeakPolarHBondContact CA-OH 3.39Å; S488-Y502 PolarHBondContact N-OH 3.12Å; W500-Y502 HydrophobicContact CD2-CE1 4.39Å; W500-Y502 AromaticContact CE3-CD1 3.95Å; W500-Y502 HydrophobicContact CE3-CD1 3.95Å; W500-Y502 HydrophobicContact CE3-CE1 4.16Å; W500-Y502 AromaticContact CH2-CD1 3.72Å; W500-Y502 HydrophobicContact CH2-CD1 3.72Å; W500-Y502 AromaticContact CH2-CE1 3.55Å; W500-Y502 HydrophobicContact CH2-CE1 3.55Å; W500-Y502 HydrophobicContact CZ2-CD1 4.34Å; W500-Y502 AromaticContact CZ2-CE1 3.74Å; W500-Y502 HydrophobicContact CZ2-CE1 3.74Å; W500-Y502 AromaticContact CZ3-CD1 3.48Å; W500-Y502 HydrophobicContact CZ3-CD1 3.48Å; W500-Y502 VanDerWaalsContact CZ3-CD1 3.48Å; W500-Y502 AromaticContact CZ3-CE1 3.76Å; W500-Y502 HydrophobicContact CZ3-CE1 3.76Å; Y502-T508 HydrophobicContact CD1-CG2 3.6Å; Y502-T508 HydrophobicContact CD2-CG2 4.11Å; Y502-T508 HydrophobicContact CE1-CG2 3.98Å; Y502-T508 HydrophobicContact CE2-CG2 4.46Å; Y502-T508 HydrophobicContact CG-CG2 3.67Å
503	K	97.6	Very high	98	Very high	72 Å²	72	42 Å²	42	31%	0.313	25%	0.252	S	S	.	.			trans	-131.5	156.1	165.1	-58.3	-65.1	156.7	-175.7	0	109.8	G505 D506 D713	K503-G505 PolarHBondContact O-N 3.29Å; K503-D506 PolarHBondContact N-OD2 2.75Å; K503-D506 WeakPolarHBondContact O-CB 3.2Å; K503-D506 PolarHBondContact O-N 2.86Å; K503-D506 VanDerWaalsContact O-N 3.1Å; K503-D713 IonicContact NZ-OD1 3.55Å; K503-D713 PolarHBondContact NZ-OD1 3.36Å; K503-D713 IonicContact NZ-OD2 3.84Å; K503-D713 PolarHBondContact NZ-OD2 3.06Å
504	P	96.7	Very high	98	Very high	139 Å²	139	41.7 Å²	41.7	90%	0.903	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	122.4	176.9	-24.8	34.9	0	0	0	111.4
505	G	96.1	Very high	98	Very high	85 Å²	85	45.7 Å²	45.7	88%	0.876	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	-3.2	-176.9	0	0	0	0	0	115.8	K503	K503-G505 PolarHBondContact O-N 3.29Å
506	D	97.4	Very high	98	Very high	37 Å²	37	48.3 Å²	48.3	20%	0.198	27%	0.271	C	S	.	.			trans	-74.2	149.9	169.2	-67.5	-27.9	0	0	0	112.2	K503 T508 R525	K503-D506 PolarHBondContact N-OD2 2.75Å; K503-D506 WeakPolarHBondContact O-CB 3.2Å; K503-D506 PolarHBondContact O-N 2.86Å; K503-D506 VanDerWaalsContact O-N 3.1Å; D506-T508 HydrophobicContact CB-CG2 4.3Å; D506-T508 PolarHBondContact O-N 2.85Å; D506-R525 IonicContact OD1-CZ 2.69Å; D506-R525 IonicContact OD1-NH1 2.8Å; D506-R525 PolarHBondContact OD1-NH1 3.26Å; D506-R525 IonicContact OD1-NH2 3.59Å; D506-R525 PolarHBondContact OD1-NH2 3.18Å; D506-R525 IonicContact OD2-CZ 3.56Å; D506-R525 IonicContact OD2-NH1 3.47Å; D506-R525 IonicContact OD2-NH2 3.62Å; D506-R525 PolarHBondContact OD2-NH2 3.08Å
507	D	97.1	Very high	98	Very high	92 Å²	92	49.7 Å²	49.7	49%	0.492	28%	0.28	S	S	.	.			trans	-78.8	107	163.5	-178.9	35.9	0	0	0	109.2	K511 N518	D507-K511 IonicContact OD1-NZ 3.54Å; D507-K511 PolarHBondContact OD1-NZ 2.6Å; D507-K511 WeakPolarHBondContact OD2-CE 3.45Å; D507-K511 IonicContact OD2-NZ 2.78Å; D507-K511 PolarHBondContact OD2-NZ 2.76Å; D507-N518 HydrophobicContact CB-CB 4.3Å; D507-N518 WeakPolarHBondContact O-CB 3.32Å; D507-N518 PolarHBondContact O-ND2 2.91Å
508	T	96.5	Very high	98	Very high	69 Å²	69	50.4 Å²	50.4	42%	0.423	29%	0.285	S	S	.	.			trans	-95.7	171.4	-171.8	61.2	0	0	0	0	113.3	Y502 D506 K511	Y502-T508 HydrophobicContact CD1-CG2 3.6Å; Y502-T508 HydrophobicContact CD2-CG2 4.11Å; Y502-T508 HydrophobicContact CE1-CG2 3.98Å; Y502-T508 HydrophobicContact CE2-CG2 4.46Å; Y502-T508 HydrophobicContact CG-CG2 3.67Å; D506-T508 HydrophobicContact CB-CG2 4.3Å; D506-T508 PolarHBondContact O-N 2.85Å; T508-K511 WeakPolarHBondContact O-CE 3.47Å
509	G	95.3	Very high	98	Very high	28 Å²	28	52.9 Å²	52.9	29%	0.289	29%	0.294	S	S	.	.	S	Bend	trans	79	-174.5	-180	0	0	0	0	0	114.3	K511 N518	G509-K511 PolarHBondContact O-N 2.74Å; G509-N518 PolarHBondContact O-ND2 2.83Å
510	Y	98.1	Very high	98	Very high	76 Å²	76	54.3 Å²	54.3	30%	0.298	30%	0.299	S	S	.	.			trans	-78.7	116.5	-169.6	-177.1	-131.7	0	0	0	112.2	E465 E466 F468 P512	E465-Y510 WeakPolarHBondContact CA-OH 3.06Å; E466-Y510 HydrophobicContact CB-CD2 3.7Å; E466-Y510 HydrophobicContact CB-CE2 3.5Å; E466-Y510 HydrophobicContact CB-CG 4.36Å; E466-Y510 HydrophobicContact CG-CD2 3.79Å; E466-Y510 HydrophobicContact CG-CE2 3.74Å; E466-Y510 PolarHBondContact N-OH 3.12Å; E466-Y510 PolarHBondContact O-OH 2.85Å; F468-Y510 AromaticContact CE2-CD1 3.81Å; F468-Y510 HydrophobicContact CE2-CD1 3.81Å; F468-Y510 HydrophobicContact CE2-CE1 4.27Å; F468-Y510 HydrophobicContact CE2-CG 4.1Å; F468-Y510 HydrophobicContact CZ-CD1 4.21Å; F468-Y510 HydrophobicContact CZ-CG 4.02Å; Y510-P512 HydrophobicContact CD1-CG 4.2Å; Y510-P512 HydrophobicContact CD2-CG 4.46Å; Y510-P512 HydrophobicContact CE1-CB 4.29Å; Y510-P512 HydrophobicContact CE1-CG 3.68Å; Y510-P512 HydrophobicContact CE2-CB 3.71Å; Y510-P512 HydrophobicContact CE2-CG 3.93Å
511	K	98.3	Very high	97.9	Very high	82 Å²	82	56.2 Å²	56.2	36%	0.357	32%	0.32	S	S	.	.			trans	-130.5	66.8	179.2	-52.1	-67.2	173.7	118	0	109.9	D507 T508 G509 T517 N518	D507-K511 IonicContact OD1-NZ 3.54Å; D507-K511 PolarHBondContact OD1-NZ 2.6Å; D507-K511 WeakPolarHBondContact OD2-CE 3.45Å; D507-K511 IonicContact OD2-NZ 2.78Å; D507-K511 PolarHBondContact OD2-NZ 2.76Å; T508-K511 WeakPolarHBondContact O-CE 3.47Å; G509-K511 PolarHBondContact O-N 2.74Å; K511-T517 WeakPolarHBondContact CB-OG1 3.08Å; K511-T517 WeakPolarHBondContact O-CB 3.31Å; K511-T517 WeakPolarHBondContact O-CG2 3.43Å; K511-T517 PolarHBondContact O-OG1 3.08Å; K511-N518 HydrophobicContact CB-CB 4.43Å; K511-N518 HydrophobicContact CG-CB 4.12Å; K511-N518 VanDerWaalsContact CG-ND2 3.31Å; K511-N518 WeakPolarHBondContact CG-ND2 3.33Å
512	P	98.4	Very high	97.9	Very high	42 Å²	42	56.2 Å²	56.2	27%	0.273	32%	0.321	S	S	.	.			trans	-63.9	145.5	-176.4	29.8	-36.5	0	0	0	111	Y462 Y510	Y462-P512 HydrophobicContact CD1-CB 4.46Å; Y462-P512 HydrophobicContact CD2-CB 3.63Å; Y462-P512 HydrophobicContact CD2-CG 3.88Å; Y462-P512 HydrophobicContact CE2-CB 4.23Å; Y462-P512 HydrophobicContact CE2-CG 4.06Å; Y462-P512 HydrophobicContact CG-CB 3.75Å; Y462-P512 HydrophobicContact CG-CG 4.46Å; Y510-P512 HydrophobicContact CD1-CG 4.2Å; Y510-P512 HydrophobicContact CD2-CG 4.46Å; Y510-P512 HydrophobicContact CE1-CB 4.29Å; Y510-P512 HydrophobicContact CE1-CG 3.68Å; Y510-P512 HydrophobicContact CE2-CB 3.71Å; Y510-P512 HydrophobicContact CE2-CG 3.93Å
513	S	98.7	Very high	98	Very high	34 Å²	34	53.8 Å²	53.8	24%	0.238	31%	0.311	C	S	.	.			trans	-159.9	150.2	-175.5	-179.4	0	0	0	0	110.2	P463 R515	P463-S513 VanDerWaalsContact CG-O 3.27Å; P463-S513 WeakPolarHBondContact CG-O 3.37Å; S513-R515 WeakPolarHBondContact CB-O 3.43Å; S513-R515 PolarHBondContact O-N 2.7Å; S513-R515 PolarHBondContact OG-N 2.75Å; S513-R515 PolarHBondContact OG-O 3.36Å
514	F	98.8	Very high	98	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	30%	0.301	C	S	.	.	S	Bend	trans	-74.9	-2.8	167.8	-67.6	-68.9	0	0	0	113.3	A147 D150 E151 Y154 V460 Y462 P463 V787 L839	A147-F514 WeakPolarHBondContact O-CE2 3.5Å; D150-F514 HydrophobicContact CB-CD2 3.78Å; D150-F514 HydrophobicContact CB-CE2 4.33Å; D150-F514 HydrophobicContact CB-CG 4.28Å; E151-F514 VanDerWaalsContact CA-CZ 3.4Å; E151-F514 HydrophobicContact CB-CE1 4.39Å; E151-F514 HydrophobicContact CB-CE2 4.06Å; E151-F514 HydrophobicContact CB-CZ 3.58Å; E151-F514 HydrophobicContact CG-CZ 4.08Å; Y154-F514 HydrophobicContact CD1-CD1 4.37Å; Y154-F514 AromaticContact CD1-CE1 3.84Å; Y154-F514 HydrophobicContact CD1-CE1 3.84Å; Y154-F514 HydrophobicContact CD2-CD1 4.31Å; Y154-F514 AromaticContact CG-CD1 3.95Å; Y154-F514 HydrophobicContact CG-CD1 3.95Å; Y154-F514 AromaticContact CG-CE1 3.87Å; Y154-F514 HydrophobicContact CG-CE1 3.87Å; V460-F514 HydrophobicContact CG1-CE2 3.66Å; V460-F514 HydrophobicContact CG1-CZ 3.62Å; Y462-F514 HydrophobicContact CD1-CD1 4.35Å; Y462-F514 AromaticContact CD1-CD2 3.67Å; Y462-F514 HydrophobicContact CD1-CD2 3.67Å; Y462-F514 HydrophobicContact CD1-CE1 4.13Å; Y462-F514 AromaticContact CD1-CE2 3.43Å; Y462-F514 HydrophobicContact CD1-CE2 3.43Å; Y462-F514 VanDerWaalsContact CD1-CE2 3.43Å; Y462-F514 HydrophobicContact CD1-CG 4.11Å; Y462-F514 AromaticContact CD1-CZ 3.65Å; Y462-F514 HydrophobicContact CD1-CZ 3.65Å; Y462-F514 AromaticContact CE1-CD2 3.61Å; Y462-F514 HydrophobicContact CE1-CD2 3.61Å; Y462-F514 AromaticContact CE1-CE2 3.37Å; Y462-F514 HydrophobicContact CE1-CE2 3.37Å; Y462-F514 HydrophobicContact CE1-CG 4.45Å; Y462-F514 HydrophobicContact CE1-CZ 4.04Å; Y462-F514 HydrophobicContact CG-CE2 4.43Å; Y462-F514 HydrophobicContact CG-CZ 4.3Å; P463-F514 VanDerWaalsContact CD-CD1 3.4Å; P463-F514 HydrophobicContact CG-CD1 4.26Å; F514-V787 WeakPolarHBondContact O-CG2 3.49Å; F514-L839 HydrophobicContact CB-CD1 3.81Å; F514-L839 HydrophobicContact CB-CD2 3.86Å; F514-L839 HydrophobicContact CB-CG 4.48Å; F514-L839 HydrophobicContact CD1-CD2 4.33Å; F514-L839 HydrophobicContact CG-CD2 4.34Å
515	R	98.8	Very high	98.1	Very high	84 Å²	84	48.9 Å²	48.9	32%	0.317	28%	0.276	S	S	.	.	S	Bend	trans	-129.9	179	-175.8	-67.5	174.5	-179.7	77.5	7	110.4	D150 S513 T517 D786 V787 L839	D150-R515 IonicContact OD2-CZ 3.32Å; D150-R515 VanDerWaalsContact OD2-CZ 3.25Å; D150-R515 IonicContact OD2-NH1 3.59Å; D150-R515 PolarHBondContact OD2-NH1 2.91Å; D150-R515 IonicContact OD2-NH2 3.15Å; D150-R515 PolarHBondContact OD2-NH2 3.33Å; S513-R515 WeakPolarHBondContact CB-O 3.43Å; S513-R515 PolarHBondContact O-N 2.7Å; S513-R515 PolarHBondContact OG-N 2.75Å; S513-R515 PolarHBondContact OG-O 3.36Å; R515-T517 PolarHBondContact O-N 3.16Å; R515-D786 WeakPolarHBondContact CB-O 3.45Å; R515-D786 VanDerWaalsContact CD-CG 3.48Å; R515-D786 WeakPolarHBondContact CD-OD1 3.44Å; R515-D786 VanDerWaalsContact CD-OD2 3.27Å; R515-D786 WeakPolarHBondContact CD-OD2 3.34Å; R515-D786 IonicContact NE-OD1 2.83Å; R515-D786 IonicContact NE-OD2 3.33Å; R515-D786 PolarHBondContact NE-OD2 3.05Å; R515-V787 HydrophobicContact CG-CB 4.32Å; R515-L839 HydrophobicContact CG-CD1 4.02Å
516	R	98.8	Very high	98.2	Very high	57 Å²	57	45.2 Å²	45.2	22%	0.215	24%	0.236	C	C	.	.			trans	-51.8	140.2	169.5	-67.4	168.5	-177.1	143.5	10	110.4	F520 T784 D785 D786 V787 D788	R516-F520 HydrophobicContact CB-CB 4.34Å; R516-F520 HydrophobicContact CB-CD2 4.21Å; R516-F520 HydrophobicContact CB-CG 4.2Å; R516-F520 VanDerWaalsContact CD-CE2 3.47Å; R516-F520 HydrophobicContact CG-CD2 3.66Å; R516-F520 HydrophobicContact CG-CE2 3.84Å; R516-F520 HydrophobicContact CG-CG 4.12Å; R516-F520 HydrophobicContact CG-CZ 4.44Å; R516-F520 VanDerWaalsContact NE-CE2 3.32Å; R516-T784 PolarHBondContact NH2-OG1 3.2Å; R516-D785 PolarHBondContact NH1-O 2.94Å; R516-D786 WeakPolarHBondContact CB-O 3.27Å; R516-D786 VanDerWaalsContact CG-O 3.25Å; R516-D786 WeakPolarHBondContact CG-O 3.26Å; R516-D786 PolarHBondContact N-O 3.12Å; R516-V787 PolarHBondContact NH2-O 2.94Å; R516-D788 WeakPolarHBondContact CG-OD2 3.15Å; R516-D788 IonicContact CZ-OD1 2.56Å; R516-D788 IonicContact CZ-OD2 2.86Å; R516-D788 IonicContact NE-OD1 3.72Å; R516-D788 IonicContact NE-OD2 3.44Å; R516-D788 PolarHBondContact NE-OD2 2.83Å; R516-D788 VanDerWaalsContact NH2-CG 3.31Å; R516-D788 IonicContact NH2-OD1 2.89Å; R516-D788 PolarHBondContact NH2-OD1 3.44Å; R516-D788 IonicContact NH2-OD2 2.65Å; R516-D788 PolarHBondContact NH2-OD2 2.68Å
517	T	98.8	Very high	98.3	Very high	35 Å²	35	43.7 Å²	43.7	22%	0.215	23%	0.228	C	C	.	.			trans	-141.3	-170.8	-175.5	-169.4	0	0	0	0	110.6	K511 R515 W519 F520	K511-T517 WeakPolarHBondContact CB-OG1 3.08Å; K511-T517 WeakPolarHBondContact O-CB 3.31Å; K511-T517 WeakPolarHBondContact O-CG2 3.43Å; K511-T517 PolarHBondContact O-OG1 3.08Å; R515-T517 PolarHBondContact O-N 3.16Å; T517-W519 VanDerWaalsContact CG2-CD1 3.47Å; T517-W519 HydrophobicContact CG2-CD2 4.48Å; T517-W519 HydrophobicContact CG2-CG 4.25Å; T517-W519 PolarHBondContact O-N 2.9Å; T517-F520 VanDerWaalsContact O-CB 3.3Å; T517-F520 WeakPolarHBondContact O-CB 3.32Å; T517-F520 PolarHBondContact O-N 3.28Å
518	N	98.6	Very high	98.4	Very high	31 Å²	31	46.6 Å²	46.6	17%	0.166	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-37.1	-168.7	65.8	-23.3	0	0	0	115.5	D507 G509 K511 F520 P522	D507-N518 HydrophobicContact CB-CB 4.3Å; D507-N518 WeakPolarHBondContact O-CB 3.32Å; D507-N518 PolarHBondContact O-ND2 2.91Å; G509-N518 PolarHBondContact O-ND2 2.83Å; K511-N518 HydrophobicContact CB-CB 4.43Å; K511-N518 HydrophobicContact CG-CB 4.12Å; K511-N518 VanDerWaalsContact CG-ND2 3.31Å; K511-N518 WeakPolarHBondContact CG-ND2 3.33Å; N518-F520 VanDerWaalsContact C-N 3.3Å; N518-F520 PolarHBondContact O-N 3.49Å; N518-P522 WeakPolarHBondContact O-CD 2.86Å
519	W	98.6	Very high	98.5	Very high	56 Å²	56	44.3 Å²	44.3	21%	0.212	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.3	179.5	58.7	-108.4	0	0	0	115.3	W500 T517 G521 P522 V523 Y718	W500-W519 HydrophobicContact CB-CB 4.41Å; W500-W519 HydrophobicContact CD2-CB 3.58Å; W500-W519 HydrophobicContact CE3-CB 4.18Å; W500-W519 HydrophobicContact CG-CB 3.68Å; W500-W519 HydrophobicContact CZ2-CB 4.05Å; T517-W519 VanDerWaalsContact CG2-CD1 3.47Å; T517-W519 HydrophobicContact CG2-CD2 4.48Å; T517-W519 HydrophobicContact CG2-CG 4.25Å; T517-W519 PolarHBondContact O-N 2.9Å; W519-G521 PolarHBondContact O-N 2.77Å; W519-P522 WeakPolarHBondContact O-CD 3.31Å; W519-V523 HydrophobicContact CB-CG2 4.35Å; W519-V523 HydrophobicContact CE3-CB 4.3Å; W519-V523 HydrophobicContact CE3-CG2 3.9Å; W519-V523 WeakPolarHBondContact O-CB 3.32Å; W519-V523 VanDerWaalsContact O-CG2 3.27Å; W519-V523 WeakPolarHBondContact O-CG2 3.33Å; W519-V523 PolarHBondContact O-N 2.7Å; W519-Y718 HydrophobicContact CB-CD2 4.48Å; W519-Y718 AromaticContact CD1-CE2 3.8Å; W519-Y718 AromaticContact CD2-CD2 3.75Å; W519-Y718 HydrophobicContact CD2-CD2 3.75Å; W519-Y718 AromaticContact CD2-CE2 3.87Å; W519-Y718 HydrophobicContact CD2-CE2 3.87Å; W519-Y718 AromaticContact CE2-CE2 3.83Å; W519-Y718 AromaticContact CE3-CD2 3.99Å; W519-Y718 HydrophobicContact CE3-CD2 3.99Å; W519-Y718 AromaticContact CG-CD2 3.97Å; W519-Y718 HydrophobicContact CG-CD2 3.97Å; W519-Y718 AromaticContact CG-CE2 3.89Å; W519-Y718 HydrophobicContact CG-CE2 3.89Å; W519-Y718 HydrophobicContact CZ2-CE2 4.49Å; W519-Y718 AromaticContact NE1-CE2 3.73Å
520	F	98.8	Very high	98.7	Very high	48 Å²	48	43 Å²	43	21%	0.211	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-174.1	-176.6	-100.4	0	0	0	113.1	R516 T517 N518 G524 Y810 Y812	R516-F520 HydrophobicContact CB-CB 4.34Å; R516-F520 HydrophobicContact CB-CD2 4.21Å; R516-F520 HydrophobicContact CB-CG 4.2Å; R516-F520 VanDerWaalsContact CD-CE2 3.47Å; R516-F520 HydrophobicContact CG-CD2 3.66Å; R516-F520 HydrophobicContact CG-CE2 3.84Å; R516-F520 HydrophobicContact CG-CG 4.12Å; R516-F520 HydrophobicContact CG-CZ 4.44Å; R516-F520 VanDerWaalsContact NE-CE2 3.32Å; T517-F520 VanDerWaalsContact O-CB 3.3Å; T517-F520 WeakPolarHBondContact O-CB 3.32Å; T517-F520 PolarHBondContact O-N 3.28Å; N518-F520 VanDerWaalsContact C-N 3.3Å; N518-F520 PolarHBondContact O-N 3.49Å; F520-G524 PolarHBondContact O-N 2.93Å; F520-Y810 AromaticContact CE2-CD1 3.81Å; F520-Y810 HydrophobicContact CE2-CD1 3.81Å; F520-Y810 HydrophobicContact CE2-CD2 4.36Å; F520-Y810 HydrophobicContact CE2-CE1 4.43Å; F520-Y810 AromaticContact CE2-CG 3.74Å; F520-Y810 HydrophobicContact CE2-CG 3.74Å; F520-Y810 AromaticContact CZ-CD1 3.61Å; F520-Y810 HydrophobicContact CZ-CD1 3.61Å; F520-Y810 HydrophobicContact CZ-CD2 4.28Å; F520-Y810 AromaticContact CZ-CE1 3.78Å; F520-Y810 HydrophobicContact CZ-CE1 3.78Å; F520-Y810 HydrophobicContact CZ-CE2 4.43Å; F520-Y810 AromaticContact CZ-CG 3.86Å; F520-Y810 HydrophobicContact CZ-CG 3.86Å; F520-Y812 HydrophobicContact CD2-CE1 4.32Å; F520-Y812 WeakPolarHBondContact CD2-OH 3.2Å; F520-Y812 HydrophobicContact CE1-CE1 4.44Å; F520-Y812 HydrophobicContact CE2-CE1 4.06Å; F520-Y812 HydrophobicContact CZ-CE1 4.12Å; F520-Y812 WeakPolarHBondContact O-CE1 3.34Å; F520-Y812 PolarHBondContact O-OH 3.31Å
521	G	98.3	Very high	98.7	Very high	43 Å²	43	42 Å²	42	44%	0.443	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-55.6	173.6	0	0	0	0	0	112.7	W519 V523 G524 R525	W519-G521 PolarHBondContact O-N 2.77Å; G521-V523 PolarHBondContact O-N 3.42Å; G521-G524 PolarHBondContact O-N 2.63Å; G521-G524 VanDerWaalsContact O-N 3.15Å; G521-R525 PolarHBondContact O-N 3Å
522	P	98.8	Very high	98.7	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-48.3	-52.7	174	-31.8	35.9	0	0	0	115.2	W500 N518 W519 G524 R525 E526	W500-P522 HydrophobicContact CE3-CB 3.53Å; W500-P522 HydrophobicContact CE3-CG 3.81Å; W500-P522 HydrophobicContact CZ3-CB 3.86Å; W500-P522 HydrophobicContact CZ3-CG 3.58Å; N518-P522 WeakPolarHBondContact O-CD 2.86Å; W519-P522 WeakPolarHBondContact O-CD 3.31Å; P522-G524 VanDerWaalsContact C-N 3.26Å; P522-G524 PolarHBondContact O-N 3.34Å; P522-R525 WeakPolarHBondContact O-CA 3.39Å; P522-R525 WeakPolarHBondContact O-CB 3.39Å; P522-R525 PolarHBondContact O-N 2.83Å; P522-E526 PolarHBondContact O-N 2.85Å
523	V	98.9	Very high	98.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-36.7	179.1	172.8	0	0	0	0	111.2	W500 W519 G521 R525 E526 C527 Y718 A719 Y812	W500-V523 HydrophobicContact CB-CG2 3.75Å; W519-V523 HydrophobicContact CB-CG2 4.35Å; W519-V523 HydrophobicContact CE3-CB 4.3Å; W519-V523 HydrophobicContact CE3-CG2 3.9Å; W519-V523 WeakPolarHBondContact O-CB 3.32Å; W519-V523 VanDerWaalsContact O-CG2 3.27Å; W519-V523 WeakPolarHBondContact O-CG2 3.33Å; W519-V523 PolarHBondContact O-N 2.7Å; G521-V523 PolarHBondContact O-N 3.42Å; V523-R525 VanDerWaalsContact C-N 3.28Å; V523-R525 PolarHBondContact O-N 2.67Å; V523-E526 PolarHBondContact O-N 3.48Å; V523-C527 PolarHBondContact O-N 3.04Å; V523-C527 PolarHBondContact O-SG 3.03Å; V523-C527 VanDerWaalsContact O-SG 3.36Å; V523-Y718 HydrophobicContact CG2-CD2 4.18Å; V523-Y718 HydrophobicContact CG2-CG 4.44Å; V523-A719 HydrophobicContact CG1-CB 4.19Å; V523-Y812 HydrophobicContact CG1-CE2 3.77Å
524	G	98.8	Very high	98.7	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-26.1	172.8	0	0	0	0	0	115	F520 G521 P522 R528	F520-G524 PolarHBondContact O-N 2.93Å; G521-G524 PolarHBondContact O-N 2.63Å; G521-G524 VanDerWaalsContact O-N 3.15Å; P522-G524 VanDerWaalsContact C-N 3.26Å; P522-G524 PolarHBondContact O-N 3.34Å; G524-R528 WeakPolarHBondContact O-CB 3.48Å; G524-R528 PolarHBondContact O-N 3.45Å
525	R	98.7	Very high	98.7	Very high	97 Å²	97	43.6 Å²	43.6	37%	0.366	20%	0.202	S	C	.	.	H	α-helix	trans	-77.2	-38.7	171	-55.8	179.8	-55.1	-136.3	2.2	111.3	D506 G521 P522 V523 R528 L529	D506-R525 IonicContact OD1-CZ 2.69Å; D506-R525 IonicContact OD1-NH1 2.8Å; D506-R525 PolarHBondContact OD1-NH1 3.26Å; D506-R525 IonicContact OD1-NH2 3.59Å; D506-R525 PolarHBondContact OD1-NH2 3.18Å; D506-R525 IonicContact OD2-CZ 3.56Å; D506-R525 IonicContact OD2-NH1 3.47Å; D506-R525 IonicContact OD2-NH2 3.62Å; D506-R525 PolarHBondContact OD2-NH2 3.08Å; G521-R525 PolarHBondContact O-N 3Å; P522-R525 WeakPolarHBondContact O-CA 3.39Å; P522-R525 WeakPolarHBondContact O-CB 3.39Å; P522-R525 PolarHBondContact O-N 2.83Å; V523-R525 VanDerWaalsContact C-N 3.28Å; V523-R525 PolarHBondContact O-N 2.67Å; R525-R528 WeakPolarHBondContact O-CB 3.45Å; R525-R528 PolarHBondContact O-N 3.12Å; R525-L529 WeakPolarHBondContact O-CB 3.42Å; R525-L529 PolarHBondContact O-N 3.21Å
526	E	98.9	Very high	98.7	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-43.5	177.8	-71.8	172.9	-129.8	0	0	112.5	W500 F501 P522 V523 R528 L529 V530 F715 G716 A719	W500-E526 WeakPolarHBondContact CA-OE1 3.27Å; F501-E526 PolarHBondContact N-OE1 3.14Å; P522-E526 PolarHBondContact O-N 2.85Å; V523-E526 PolarHBondContact O-N 3.48Å; E526-R528 VanDerWaalsContact C-N 3.26Å; E526-R528 PolarHBondContact O-N 3Å; E526-L529 WeakPolarHBondContact O-CB 3.21Å; E526-L529 PolarHBondContact O-N 3.45Å; E526-V530 PolarHBondContact O-N 2.93Å; E526-F715 HydrophobicContact CB-CB 3.9Å; E526-F715 HydrophobicContact CG-CB 4.16Å; E526-F715 VanDerWaalsContact OE2-CA 3.31Å; E526-F715 WeakPolarHBondContact OE2-CA 3.3Å; E526-G716 PolarHBondContact OE2-N 2.91Å; E526-A719 HydrophobicContact CB-CB 3.51Å
527	C	98.9	Very high	98.7	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-42.2	171.8	-67.6	0	0	0	0	111.1	V523 V530 M531 L723 Y812	V523-C527 PolarHBondContact O-N 3.04Å; V523-C527 PolarHBondContact O-SG 3.03Å; V523-C527 VanDerWaalsContact O-SG 3.36Å; C527-V530 PolarHBondContact O-N 3.04Å; C527-M531 VanDerWaalsContact O-CG 3.28Å; C527-M531 WeakPolarHBondContact O-CG 3.43Å; C527-M531 PolarHBondContact O-N 3.3Å; C527-M531 VanDerWaalsContact O-N 3.1Å; C527-L723 HydrophobicContact CB-CD2 4.26Å; C527-L723 HydrophobicContact CB-CG 4.39Å; C527-Y812 HydrophobicContact CB-CD2 4.03Å; C527-Y812 HydrophobicContact CB-CG 4.48Å
528	R	98.7	Very high	98.7	Very high	154 Å²	154	35.8 Å²	35.8	58%	0.581	17%	0.17	S	C	*	.	H	α-helix	trans	-65.3	-43.1	177.2	-166.6	-171.2	-52.9	-136.9	3.3	112.5	G524 R525 E526 V530 M531 E532	G524-R528 WeakPolarHBondContact O-CB 3.48Å; G524-R528 PolarHBondContact O-N 3.45Å; R525-R528 WeakPolarHBondContact O-CB 3.45Å; R525-R528 PolarHBondContact O-N 3.12Å; E526-R528 VanDerWaalsContact C-N 3.26Å; E526-R528 PolarHBondContact O-N 3Å; R528-V530 VanDerWaalsContact C-N 3.32Å; R528-V530 PolarHBondContact O-N 3.01Å; R528-M531 PolarHBondContact O-N 3.06Å; R528-E532 WeakPolarHBondContact CD-OE1 3.48Å; R528-E532 WeakPolarHBondContact CD-OE2 3.34Å; R528-E532 HydrophobicContact CG-CG 3.96Å; R528-E532 WeakPolarHBondContact CG-OE1 3.46Å; R528-E532 WeakPolarHBondContact CG-OE2 3.25Å; R528-E532 WeakPolarHBondContact O-CB 3.49Å; R528-E532 PolarHBondContact O-N 3.13Å
529	L	98.8	Very high	98.8	Very high	21 Å²	21	34.7 Å²	34.7	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-52.6	-48.8	175.2	172.3	79.9	0	0	0	111.5	R525 E526 K533 V534 G711 D713 N714	R525-L529 WeakPolarHBondContact O-CB 3.42Å; R525-L529 PolarHBondContact O-N 3.21Å; E526-L529 WeakPolarHBondContact O-CB 3.21Å; E526-L529 PolarHBondContact O-N 3.45Å; L529-K533 HydrophobicContact CD1-CB 4.43Å; L529-K533 HydrophobicContact CD1-CD 4.46Å; L529-K533 CarbonylContact O-C 3.6Å; L529-K533 WeakPolarHBondContact O-CA 3.24Å; L529-K533 WeakPolarHBondContact O-CB 3.23Å; L529-K533 PolarHBondContact O-N 3.01Å; L529-V534 PolarHBondContact O-N 2.89Å; L529-G711 WeakPolarHBondContact CD1-O 3.2Å; L529-D713 HydrophobicContact CD1-CB 3.64Å; L529-D713 HydrophobicContact CD2-CB 3.68Å; L529-D713 HydrophobicContact CG-CB 4.3Å; L529-N714 WeakPolarHBondContact CD2-O 3.5Å
530	V	98.8	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-39.5	-179.9	178.3	0	0	0	0	111.4	E526 C527 R528 A638 G639 P640 T682 E684 F715 L723	E526-V530 PolarHBondContact O-N 2.93Å; C527-V530 PolarHBondContact O-N 3.04Å; R528-V530 VanDerWaalsContact C-N 3.32Å; R528-V530 PolarHBondContact O-N 3.01Å; V530-A638 HydrophobicContact CG1-CB 4Å; V530-G639 WeakPolarHBondContact O-CA 3.38Å; V530-P640 WeakPolarHBondContact O-CD 3.37Å; V530-T682 HydrophobicContact CG1-CG2 4.08Å; V530-E684 HydrophobicContact CG1-CB 4.41Å; V530-E684 HydrophobicContact CG1-CG 4.3Å; V530-F715 HydrophobicContact CG2-CB 4.28Å; V530-F715 HydrophobicContact CG2-CD1 3.59Å; V530-F715 HydrophobicContact CG2-CD2 3.92Å; V530-F715 HydrophobicContact CG2-CE1 3.74Å; V530-F715 HydrophobicContact CG2-CE2 4.05Å; V530-F715 HydrophobicContact CG2-CG 3.67Å; V530-F715 HydrophobicContact CG2-CZ 3.95Å; V530-L723 HydrophobicContact CB-CD1 3.8Å; V530-L723 HydrophobicContact CG1-CD1 3.89Å; V530-L723 HydrophobicContact CG2-CD1 3.98Å
531	M	98.5	Very high	98.8	Very high	54 Å²	54	29.9 Å²	29.9	27%	0.266	15%	0.145	S	C	.	.	H	α-helix	trans	-73.5	-35	-179	-67	-62.2	-68.1	0	0	113.6	C527 R528 E684 L723 V853	C527-M531 VanDerWaalsContact O-CG 3.28Å; C527-M531 WeakPolarHBondContact O-CG 3.43Å; C527-M531 PolarHBondContact O-N 3.3Å; C527-M531 VanDerWaalsContact O-N 3.1Å; R528-M531 PolarHBondContact O-N 3.06Å; M531-E684 VanDerWaalsContact SD-CD 3.59Å; M531-E684 HydrophobicContact SD-CG 3.59Å; M531-E684 VanDerWaalsContact SD-CG 3.59Å; M531-L723 HydrophobicContact CG-CD2 3.75Å; M531-L723 HydrophobicContact SD-CD2 3.82Å; M531-V853 HydrophobicContact CE-CG1 4.04Å
532	E	98.5	Very high	98.8	Very high	115 Å²	115	30.1 Å²	30.1	54%	0.537	13%	0.134	S	C	.	.	H	α-helix	trans	-100.1	-26	-174.5	-65.8	178.2	-176.5	0	0	114.2	R528	R528-E532 WeakPolarHBondContact CD-OE1 3.48Å; R528-E532 WeakPolarHBondContact CD-OE2 3.34Å; R528-E532 HydrophobicContact CG-CG 3.96Å; R528-E532 WeakPolarHBondContact CG-OE1 3.46Å; R528-E532 WeakPolarHBondContact CG-OE2 3.25Å; R528-E532 WeakPolarHBondContact O-CB 3.49Å; R528-E532 PolarHBondContact O-N 3.13Å
533	K	98.7	Very high	98.8	Very high	90 Å²	90	29.9 Å²	29.9	39%	0.391	13%	0.132	S	C	.	.	S	Bend	trans	-134.8	-109.1	-169.8	-58.2	-176.7	-172.2	176.8	0	112.4	L529 G639 P640 N641	L529-K533 HydrophobicContact CD1-CB 4.43Å; L529-K533 HydrophobicContact CD1-CD 4.46Å; L529-K533 CarbonylContact O-C 3.6Å; L529-K533 WeakPolarHBondContact O-CA 3.24Å; L529-K533 WeakPolarHBondContact O-CB 3.23Å; L529-K533 PolarHBondContact O-N 3.01Å; K533-G639 CarbonylContact O-C 3.57Å; K533-G639 VanDerWaalsContact O-C 3.3Å; K533-P640 WeakPolarHBondContact O-CD 3.2Å; K533-P640 WeakPolarHBondContact O-CG 3.34Å; K533-P640 VanDerWaalsContact O-N 3.13Å; K533-N641 WeakPolarHBondContact O-CB 3.41Å; K533-N641 PolarHBondContact O-N 3.11Å
534	V	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.			trans	-161.8	127	179.9	49.6	0	0	0	0	108.1	L529 I637 A638 N641 V645 E710 I712	L529-V534 PolarHBondContact O-N 2.89Å; V534-I637 HydrophobicContact CG2-CD1 3.83Å; V534-I637 HydrophobicContact CG2-CG1 3.56Å; V534-A638 CarbonylContact C-O 3.55Å; V534-A638 VanDerWaalsContact CA-O 3.29Å; V534-A638 WeakPolarHBondContact CA-O 3.23Å; V534-N641 HydrophobicContact CB-CB 3.92Å; V534-N641 HydrophobicContact CG1-CB 3.74Å; V534-V645 HydrophobicContact CG1-CG2 3.92Å; V534-V645 HydrophobicContact CG2-CG2 4.33Å; V534-E710 HydrophobicContact CG1-CB 4.02Å; V534-I712 HydrophobicContact CG1-CB 3.93Å; V534-I712 HydrophobicContact CG1-CD1 4.45Å; V534-I712 HydrophobicContact CG1-CG1 4.01Å; V534-I712 HydrophobicContact CG2-CD1 4.16Å; V534-I712 HydrophobicContact CG2-CG1 4.21Å; V534-I712 WeakPolarHBondContact O-CA 3.32Å
535	G	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.7	173	0	0	0	0	0	111.7	I637 A638 D713	G535-I637 WeakPolarHBondContact O-CA 3.32Å; G535-A638 PolarHBondContact N-O 3.21Å; G535-A638 PolarHBondContact O-N 2.94Å; G535-D713 CarbonylContact C-O 3.51Å; G535-D713 WeakPolarHBondContact CA-O 3.4Å
536	V	98.9	Very high	98.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.1	169	-174.8	0	0	0	0	110	L635 G636 I637 Y700 M703 M704 I712 D713 N714 F715	V536-L635 HydrophobicContact CG1-CD2 4.38Å; V536-G636 WeakPolarHBondContact CA-O 3.14Å; V536-I637 HydrophobicContact CG2-CD1 4.45Å; V536-I637 HydrophobicContact CG2-CG1 4.27Å; V536-Y700 HydrophobicContact CG1-CD2 4.11Å; V536-Y700 HydrophobicContact CG1-CE2 4.34Å; V536-M703 HydrophobicContact CG1-CE 4.31Å; V536-M704 HydrophobicContact CB-SD 4.24Å; V536-M704 HydrophobicContact CG2-SD 3.8Å; V536-I712 HydrophobicContact CG2-CD1 3.64Å; V536-I712 HydrophobicContact CG2-CG1 4.01Å; V536-D713 PolarHBondContact N-O 2.94Å; V536-N714 CarbonylContact O-C 3.56Å; V536-N714 WeakPolarHBondContact O-CA 3.46Å; V536-F715 WeakPolarHBondContact O-CD1 3.23Å; V536-F715 PolarHBondContact O-N 2.63Å
537	I	98.9	Very high	98.8	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.036	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.5	175.8	-177.5	163.9	0	0	0	110	L539 G636 F715 M720	I537-L539 HydrophobicContact CD1-CD2 4.18Å; I537-L539 HydrophobicContact CG1-CD2 4.11Å; I537-L539 HydrophobicContact CG2-CD1 4.17Å; I537-L539 HydrophobicContact CG2-CD2 4.15Å; I537-L539 HydrophobicContact CG2-CG 4Å; I537-G636 PolarHBondContact N-O 3.23Å; I537-G636 PolarHBondContact O-N 2.83Å; I537-F715 HydrophobicContact CB-CD1 3.99Å; I537-F715 HydrophobicContact CB-CD2 4.24Å; I537-F715 HydrophobicContact CB-CE1 3.66Å; I537-F715 HydrophobicContact CB-CE2 3.93Å; I537-F715 HydrophobicContact CB-CG 4.28Å; I537-F715 HydrophobicContact CB-CZ 3.64Å; I537-F715 WeakPolarHBondContact CB-O 3.16Å; I537-F715 HydrophobicContact CD1-CD2 4.05Å; I537-F715 HydrophobicContact CD1-CE2 3.83Å; I537-F715 HydrophobicContact CD1-CZ 4.37Å; I537-F715 HydrophobicContact CG1-CE2 4.48Å; I537-F715 WeakPolarHBondContact CG1-O 3.44Å; I537-F715 HydrophobicContact CG2-CD1 4.43Å; I537-F715 HydrophobicContact CG2-CE1 3.6Å; I537-F715 HydrophobicContact CG2-CE2 3.89Å; I537-F715 HydrophobicContact CG2-CZ 3.29Å; I537-M720 HydrophobicContact CD1-CB 4.14Å; I537-M720 HydrophobicContact CD1-CE 4.37Å; I537-M720 HydrophobicContact CD1-SD 4.01Å
538	D	98.9	Very high	98.8	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.027	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.3	169.8	-173.2	5.5	0	0	0	110.2	S477 V479 Q497 T540	S477-D538 WeakPolarHBondContact CB-OD2 3.49Å; S477-D538 PolarHBondContact OG-OD2 3.4Å; V479-D538 HydrophobicContact CG2-CB 4.07Å; V479-D538 VanDerWaalsContact CG2-OD2 3.31Å; V479-D538 WeakPolarHBondContact CG2-OD2 3.39Å; Q497-D538 PolarHBondContact NE2-O 2.82Å; D538-T540 WeakPolarHBondContact OD1-CB 3.32Å; D538-T540 PolarHBondContact OD1-N 2.97Å; D538-T540 PolarHBondContact OD1-OG1 2.79Å
539	L	98.9	Very high	98.7	Very high	8 Å²	8	23 Å²	23	4%	0.042	12%	0.115	C	C	.	.			trans	-117.8	11.6	178.9	-61.2	176.2	0	0	0	111.7	I537 P541 F542 V634 E688 M720	I537-L539 HydrophobicContact CD1-CD2 4.18Å; I537-L539 HydrophobicContact CG1-CD2 4.11Å; I537-L539 HydrophobicContact CG2-CD1 4.17Å; I537-L539 HydrophobicContact CG2-CD2 4.15Å; I537-L539 HydrophobicContact CG2-CG 4Å; L539-P541 VanDerWaalsContact O-N 3.12Å; L539-F542 HydrophobicContact CB-CD2 4.06Å; L539-F542 HydrophobicContact CB-CE2 3.75Å; L539-F542 HydrophobicContact CB-CZ 4.33Å; L539-F542 HydrophobicContact CD1-CE2 4.06Å; L539-F542 HydrophobicContact CD1-CZ 4.38Å; L539-F542 HydrophobicContact CD2-CE2 4.41Å; L539-F542 HydrophobicContact CD2-CZ 4.17Å; L539-F542 HydrophobicContact CG-CE2 4.28Å; L539-F542 WeakPolarHBondContact O-CD2 3.42Å; L539-F542 PolarHBondContact O-N 3.32Å; L539-V634 CarbonylContact C-O 3.56Å; L539-V634 HydrophobicContact CB-CB 4.13Å; L539-V634 HydrophobicContact CB-CG1 4.06Å; L539-V634 PolarHBondContact N-O 3.1Å; L539-E688 HydrophobicContact CD1-CG 4.04Å; L539-M720 HydrophobicContact CD2-CE 4.39Å; L539-M720 HydrophobicContact CD2-SD 4.1Å
540	T	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-29.7	175.2	-58.3	0	0	0	0	114.4	W495 D538 F542 K544 V634 Q693 L696	W495-T540 HydrophobicContact CE3-CG2 4.17Å; W495-T540 HydrophobicContact CH2-CG2 3.8Å; W495-T540 HydrophobicContact CZ2-CG2 4.47Å; W495-T540 HydrophobicContact CZ3-CG2 3.62Å; D538-T540 WeakPolarHBondContact OD1-CB 3.32Å; D538-T540 PolarHBondContact OD1-N 2.97Å; D538-T540 PolarHBondContact OD1-OG1 2.79Å; T540-F542 VanDerWaalsContact C-N 3.31Å; T540-F542 PolarHBondContact O-N 2.86Å; T540-K544 PolarHBondContact O-NZ 3.27Å; T540-V634 PolarHBondContact N-O 3.12Å; T540-V634 VanDerWaalsContact N-O 3.16Å; T540-V634 PolarHBondContact OG1-N 2.96Å; T540-V634 PolarHBondContact OG1-O 3.19Å; T540-Q693 VanDerWaalsContact CG2-NE2 3.26Å; T540-L696 WeakPolarHBondContact OG1-CD2 3.36Å
541	P	98.8	Very high	98.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.019	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	179.1	-28.7	39.2	0	0	0	117.7	W495 Q497 L539 S602	W495-P541 HydrophobicContact CB-CB 3.92Å; W495-P541 HydrophobicContact CB-CG 3.7Å; W495-P541 HydrophobicContact CD2-CB 4.3Å; W495-P541 HydrophobicContact CD2-CG 4.27Å; W495-P541 HydrophobicContact CG-CB 3.68Å; W495-P541 HydrophobicContact CG-CG 3.81Å; Q497-P541 HydrophobicContact CB-CG 3.94Å; Q497-P541 HydrophobicContact CG-CG 3.92Å; L539-P541 VanDerWaalsContact O-N 3.12Å; P541-S602 VanDerWaalsContact O-CA 3.32Å; P541-S602 WeakPolarHBondContact O-CA 3.25Å; P541-S602 WeakPolarHBondContact O-CB 3.28Å
542	F	98.9	Very high	98.6	Very high	48 Å²	48	28.3 Å²	28.3	21%	0.211	14%	0.138	C	C	.	.	S	Bend	trans	-52.5	140.9	-179.3	-71.9	-38.7	0	0	0	112.8	L539 T540 K544 V599 T600 T629	L539-F542 HydrophobicContact CB-CD2 4.06Å; L539-F542 HydrophobicContact CB-CE2 3.75Å; L539-F542 HydrophobicContact CB-CZ 4.33Å; L539-F542 HydrophobicContact CD1-CE2 4.06Å; L539-F542 HydrophobicContact CD1-CZ 4.38Å; L539-F542 HydrophobicContact CD2-CE2 4.41Å; L539-F542 HydrophobicContact CD2-CZ 4.17Å; L539-F542 HydrophobicContact CG-CE2 4.28Å; L539-F542 WeakPolarHBondContact O-CD2 3.42Å; L539-F542 PolarHBondContact O-N 3.32Å; T540-F542 VanDerWaalsContact C-N 3.31Å; T540-F542 PolarHBondContact O-N 2.86Å; F542-K544 WeakPolarHBondContact O-CG 3.34Å; F542-K544 PolarHBondContact O-NZ 3.34Å; F542-V599 HydrophobicContact CB-CG1 3.64Å; F542-V599 HydrophobicContact CD2-CG1 3.69Å; F542-V599 HydrophobicContact CE2-CG1 4.45Å; F542-V599 HydrophobicContact CG-CG1 3.8Å; F542-T600 CarbonylContact C-O 3.51Å; F542-T600 VanDerWaalsContact CA-O 3.32Å; F542-T600 WeakPolarHBondContact CA-O 3.19Å; F542-T600 WeakPolarHBondContact CB-O 3.43Å; F542-T600 WeakPolarHBondContact CD1-O 3.19Å; F542-T629 WeakPolarHBondContact O-CG2 3.4Å
543	G	98.8	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.1	166.2	0	0	0	0	0	110.7	V599 T600 T629	G543-V599 CarbonylContact O-C 3.56Å; G543-V599 WeakPolarHBondContact O-CA 3.24Å; G543-T600 PolarHBondContact N-O 2.88Å; G543-T600 PolarHBondContact O-N 3.29Å; G543-T629 WeakPolarHBondContact CA-OG1 3.39Å
544	K	98.9	Very high	98.6	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.1	-172.1	-37.8	-172.2	-128.5	-52.8	0	112	T540 F542 L597 L598 N627 V628 T629 V632 V634 Y690	T540-K544 PolarHBondContact O-NZ 3.27Å; F542-K544 WeakPolarHBondContact O-CG 3.34Å; F542-K544 PolarHBondContact O-NZ 3.34Å; K544-L597 HydrophobicContact CB-CD1 4.48Å; K544-L598 WeakPolarHBondContact CA-O 3.33Å; K544-N627 PolarHBondContact O-OD1 3.01Å; K544-V628 HydrophobicContact CB-CG2 4.04Å; K544-V628 PolarHBondContact O-N 2.85Å; K544-T629 PolarHBondContact N-OG1 3.19Å; K544-T629 PolarHBondContact O-OG1 2.84Å; K544-V632 HydrophobicContact CD-CB 3.99Å; K544-V632 HydrophobicContact CD-CG1 3.93Å; K544-V632 WeakPolarHBondContact CE-O 3.24Å; K544-V634 HydrophobicContact CD-CG2 3.96Å; K544-Y690 HydrophobicContact CD-CD1 4.32Å; K544-Y690 HydrophobicContact CD-CE1 4.39Å
545	F	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.8	-178.3	-33.8	-73.6	0	0	0	111.6	L597 L598 T600 E605 L609 M612 R626 N627	F545-L597 WeakPolarHBondContact O-CA 3.41Å; F545-L598 HydrophobicContact CB-CB 4.26Å; F545-L598 HydrophobicContact CD2-CB 3.93Å; F545-L598 PolarHBondContact N-O 3.44Å; F545-L598 PolarHBondContact O-N 2.97Å; F545-T600 HydrophobicContact CE2-CG2 3.65Å; F545-T600 HydrophobicContact CZ-CG2 3.84Å; F545-E605 HydrophobicContact CE1-CG 4.24Å; F545-E605 HydrophobicContact CZ-CG 4.36Å; F545-E605 WeakPolarHBondContact CZ-O 3.41Å; F545-L609 HydrophobicContact CD1-CB 4.45Å; F545-L609 HydrophobicContact CD1-CD1 3.97Å; F545-L609 HydrophobicContact CE1-CB 3.91Å; F545-L609 HydrophobicContact CE1-CD1 4.27Å; F545-L609 HydrophobicContact CE1-CD2 4.4Å; F545-L609 HydrophobicContact CE1-CG 4.42Å; F545-L609 HydrophobicContact CZ-CB 4.28Å; F545-M612 HydrophobicContact CB-CE 4.43Å; F545-M612 HydrophobicContact CD2-CE 3.51Å; F545-M612 HydrophobicContact CE2-CE 3.86Å; F545-M612 HydrophobicContact CG-CE 3.91Å; F545-R626 CarbonylContact C-O 3.19Å; F545-R626 VanDerWaalsContact CA-O 3.24Å; F545-R626 WeakPolarHBondContact CA-O 3.26Å; F545-N627 HydrophobicContact CD1-CB 4.16Å; F545-N627 HydrophobicContact CE1-CB 4.5Å
546	I	98.8	Very high	98.6	Very high	24 Å²	24	28.6 Å²	28.6	12%	0.123	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.4	165.6	-59	-61.5	0	0	0	108	L591 E595 F596 L597 R626 V628	I546-L591 HydrophobicContact CD1-CD1 4.01Å; I546-E595 HydrophobicContact CG2-CG 4.37Å; I546-F596 WeakPolarHBondContact CA-O 3.44Å; I546-L597 HydrophobicContact CD1-CB 4.18Å; I546-L597 HydrophobicContact CD1-CD1 3.92Å; I546-R626 PolarHBondContact N-O 3.2Å; I546-R626 PolarHBondContact O-N 2.55Å; I546-V628 HydrophobicContact CG1-CG1 4.12Å; I546-V628 HydrophobicContact CG1-CG2 3.97Å
547	V	98.8	Very high	98.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.2	176.6	173.8	0	0	0	0	109.4	L556 F596 L598 I625	V547-L556 HydrophobicContact CB-CD1 4.48Å; V547-L556 HydrophobicContact CG1-CD1 4.09Å; V547-L556 HydrophobicContact CG1-CD2 4.4Å; V547-L556 HydrophobicContact CG1-CG 4.32Å; V547-F596 PolarHBondContact N-O 3.08Å; V547-F596 PolarHBondContact O-N 3.24Å; V547-L598 HydrophobicContact CB-CD1 4.05Å; V547-L598 HydrophobicContact CG2-CD1 3.46Å; V547-L598 VanDerWaalsContact CG2-CD1 3.46Å; V547-I625 HydrophobicContact CG2-CB 4.31Å; V547-I625 HydrophobicContact CG2-CG1 4.06Å; V547-I625 HydrophobicContact CG2-CG2 3.96Å
548	K	98.4	Very high	98.6	Very high	72 Å²	72	33.9 Å²	33.9	31%	0.313	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-178.5	178.9	67.3	-175.6	178.1	179.9	0	111.2	G594 E595 V623 D624	K548-G594 WeakPolarHBondContact CA-O 3.41Å; K548-E595 HydrophobicContact CB-CB 4.4Å; K548-E595 HydrophobicContact CB-CG 4.25Å; K548-V623 CarbonylContact O-C 3.53Å; K548-V623 VanDerWaalsContact O-CA 3.23Å; K548-V623 WeakPolarHBondContact O-CA 3.18Å; K548-V623 WeakPolarHBondContact O-CB 2.79Å; K548-D624 WeakPolarHBondContact CE-OD2 3.36Å; K548-D624 HydrophobicContact CG-CB 3.93Å; K548-D624 PolarHBondContact N-O 3.34Å; K548-D624 VanDerWaalsContact N-O 3.07Å; K548-D624 IonicContact NZ-OD2 2.69Å; K548-D624 PolarHBondContact NZ-OD2 2.9Å; K548-D624 PolarHBondContact O-N 2.93Å
549	G	97.1	Very high	98.5	Very high	32 Å²	32	33.7 Å²	33.7	33%	0.33	16%	0.162	S	C	.	.	S	Bend	trans	110.5	169.2	-177.8	0	0	0	0	0	112.1	D551 S552 D622	G549-D551 PolarHBondContact O-N 3.22Å; G549-S552 WeakPolarHBondContact O-CB 3.47Å; G549-S552 PolarHBondContact O-N 3.24Å; G549-S552 PolarHBondContact O-OG 3.41Å; G549-D622 CarbonylContact C-O 3.57Å
550	K	97.6	Very high	98.5	Very high	161 Å²	161	33.3 Å²	33.3	70%	0.7	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.8	-169.6	72.2	176.2	-165.8	-113.9	0	113	D622	K550-D622 HydrophobicContact CD-CB 4.07Å; K550-D622 WeakPolarHBondContact CD-OD2 3.29Å; K550-D622 WeakPolarHBondContact CE-OD2 3.31Å; K550-D622 HydrophobicContact CG-CB 3.78Å; K550-D622 PolarHBondContact N-O 3.25Å; K550-D622 IonicContact NZ-OD2 3.2Å; K550-D622 PolarHBondContact NZ-OD2 3.48Å
551	D	98.6	Very high	98.5	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2	-176.7	-84.9	-66.8	0	0	0	113.3	G549 L553 K554 L555 Y621 D622 V623	G549-D551 PolarHBondContact O-N 3.22Å; D551-L553 PolarHBondContact O-N 2.76Å; D551-K554 WeakPolarHBondContact O-CA 3.41Å; D551-K554 WeakPolarHBondContact O-CB 3.29Å; D551-K554 PolarHBondContact O-N 2.79Å; D551-K554 WeakPolarHBondContact OD1-CD 3.36Å; D551-K554 IonicContact OD1-NZ 2.69Å; D551-K554 PolarHBondContact OD1-NZ 3.04Å; D551-L555 PolarHBondContact O-N 2.74Å; D551-Y621 HydrophobicContact CB-CD1 3.99Å; D551-D622 PolarHBondContact N-O 3.38Å; D551-D622 VanDerWaalsContact N-O 3.15Å; D551-D622 PolarHBondContact OD2-N 3.48Å; D551-D622 VanDerWaalsContact OD2-N 3.12Å; D551-V623 HydrophobicContact CB-CG1 4.18Å
552	S	98.6	Very high	98.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-51.6	-49.6	-175	54.3	0	0	0	0	113.8	G549 K554 L555 L556 G594	G549-S552 WeakPolarHBondContact O-CB 3.47Å; G549-S552 PolarHBondContact O-N 3.24Å; G549-S552 PolarHBondContact O-OG 3.41Å; S552-K554 VanDerWaalsContact C-N 3.29Å; S552-K554 PolarHBondContact O-N 2.81Å; S552-L555 PolarHBondContact O-N 3.12Å; S552-L556 WeakPolarHBondContact O-CB 3.3Å; S552-L556 VanDerWaalsContact O-CG 3.24Å; S552-L556 WeakPolarHBondContact O-CG 3.44Å; S552-L556 PolarHBondContact O-N 3.38Å; S552-G594 PolarHBondContact OG-O 2.82Å; S552-G594 VanDerWaalsContact OG-O 3.04Å
553	L	98.1	Very high	98.5	Very high	88 Å²	88	34.5 Å²	34.5	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-56.4	-40.6	174.5	-82.5	156.6	0	0	0	112.7	D551 D557 L564 F596	D551-L553 PolarHBondContact O-N 2.76Å; L553-D557 VanDerWaalsContact O-CB 3.28Å; L553-D557 WeakPolarHBondContact O-CB 3.42Å; L553-D557 PolarHBondContact O-N 3.44Å; L553-L564 HydrophobicContact CD2-CD1 3.99Å; L553-L564 WeakPolarHBondContact O-CD1 3.49Å; L553-F596 HydrophobicContact CD2-CE2 4.41Å; L553-F596 HydrophobicContact CD2-CZ 3.76Å; L553-F596 HydrophobicContact CG-CE2 4.25Å; L553-F596 HydrophobicContact CG-CZ 4.09Å
554	K	98.4	Very high	98.5	Very high	121 Å²	121	36 Å²	36	53%	0.526	18%	0.179	S	C	.	.	H	α-helix	trans	-78	-37.7	-174.2	-174.9	-156.2	171.8	-158.8	0	111.8	D551 S552 R558 Y621	D551-K554 WeakPolarHBondContact O-CA 3.41Å; D551-K554 WeakPolarHBondContact O-CB 3.29Å; D551-K554 PolarHBondContact O-N 2.79Å; D551-K554 WeakPolarHBondContact OD1-CD 3.36Å; D551-K554 IonicContact OD1-NZ 2.69Å; D551-K554 PolarHBondContact OD1-NZ 3.04Å; S552-K554 VanDerWaalsContact C-N 3.29Å; S552-K554 PolarHBondContact O-N 2.81Å; K554-R558 PolarHBondContact O-N 3.11Å; K554-Y621 HydrophobicContact CB-CE1 4.35Å; K554-Y621 HydrophobicContact CD-CD1 4.04Å; K554-Y621 HydrophobicContact CD-CE1 3.68Å; K554-Y621 HydrophobicContact CG-CD1 4.49Å; K554-Y621 HydrophobicContact CG-CE1 3.88Å
555	L	98.8	Very high	98.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-52	171.5	173.5	60.7	0	0	0	110.5	D551 S552 D557 R558 L559 E615 A616 Y621 V623 I625	D551-L555 PolarHBondContact O-N 2.74Å; S552-L555 PolarHBondContact O-N 3.12Å; L555-D557 PolarHBondContact O-N 3.04Å; L555-R558 PolarHBondContact O-N 3.35Å; L555-R558 VanDerWaalsContact O-N 3.15Å; L555-L559 HydrophobicContact CD1-CD1 3.76Å; L555-L559 HydrophobicContact CD1-CG 3.99Å; L555-L559 HydrophobicContact CD2-CD1 4.44Å; L555-L559 HydrophobicContact CG-CD1 3.78Å; L555-L559 HydrophobicContact CG-CG 4.42Å; L555-L559 PolarHBondContact O-N 3.37Å; L555-E615 HydrophobicContact CD1-CB 4.4Å; L555-E615 HydrophobicContact CD1-CG 3.76Å; L555-A616 HydrophobicContact CD1-CB 4.45Å; L555-A616 HydrophobicContact CD2-CB 3.85Å; L555-Y621 HydrophobicContact CB-CD1 3.85Å; L555-Y621 HydrophobicContact CB-CE1 4.23Å; L555-Y621 HydrophobicContact CB-CG 4.02Å; L555-Y621 HydrophobicContact CD1-CD2 3.85Å; L555-Y621 HydrophobicContact CD1-CE2 3.99Å; L555-Y621 HydrophobicContact CD1-CG 4.18Å; L555-V623 HydrophobicContact CB-CG1 4.45Å; L555-V623 HydrophobicContact CD2-CB 4.36Å; L555-V623 HydrophobicContact CD2-CG1 4.02Å; L555-V623 HydrophobicContact CD2-CG2 3.74Å; L555-I625 HydrophobicContact CD2-CD1 4.22Å
556	L	98.8	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-38.7	-176.2	-65	172.3	0	0	0	112.2	V547 S552 R558 L559 F560 L564 F596 L598	V547-L556 HydrophobicContact CB-CD1 4.48Å; V547-L556 HydrophobicContact CG1-CD1 4.09Å; V547-L556 HydrophobicContact CG1-CD2 4.4Å; V547-L556 HydrophobicContact CG1-CG 4.32Å; S552-L556 WeakPolarHBondContact O-CB 3.3Å; S552-L556 VanDerWaalsContact O-CG 3.24Å; S552-L556 WeakPolarHBondContact O-CG 3.44Å; S552-L556 PolarHBondContact O-N 3.38Å; L556-R558 PolarHBondContact O-N 3.04Å; L556-L559 HydrophobicContact CD2-CD1 4.34Å; L556-L559 PolarHBondContact O-N 3.4Å; L556-F560 HydrophobicContact CB-CD2 4.41Å; L556-F560 HydrophobicContact CD2-CD2 4.08Å; L556-F560 HydrophobicContact CD2-CE2 3.76Å; L556-F560 WeakPolarHBondContact O-CB 3.37Å; L556-F560 WeakPolarHBondContact O-CD2 3.38Å; L556-F560 PolarHBondContact O-N 3.27Å; L556-F560 VanDerWaalsContact O-N 3.12Å; L556-L564 HydrophobicContact CB-CD1 3.92Å; L556-L564 HydrophobicContact CB-CD2 3.77Å; L556-F596 HydrophobicContact CD1-CB 3.91Å; L556-F596 HydrophobicContact CD1-CD1 3.96Å; L556-F596 HydrophobicContact CD1-CD2 3.35Å; L556-F596 HydrophobicContact CD1-CE1 4.28Å; L556-F596 HydrophobicContact CD1-CE2 3.73Å; L556-F596 HydrophobicContact CD1-CG 3.47Å; L556-F596 VanDerWaalsContact CD1-CG 3.47Å; L556-F596 HydrophobicContact CD1-CZ 4.16Å; L556-L598 HydrophobicContact CD2-CD1 3.93Å; L556-L598 HydrophobicContact CD2-CD2 4.4Å
557	D	98.4	Very high	98.4	Very high	41 Å²	41	46 Å²	46	22%	0.219	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-12.8	177.2	-155.8	42	0	0	0	112.9	L553 L555 L564 K755 A757	L553-D557 VanDerWaalsContact O-CB 3.28Å; L553-D557 WeakPolarHBondContact O-CB 3.42Å; L553-D557 PolarHBondContact O-N 3.44Å; L555-D557 PolarHBondContact O-N 3.04Å; D557-L564 HydrophobicContact CB-CD1 3.96Å; D557-L564 HydrophobicContact CB-CG 4.19Å; D557-K755 VanDerWaalsContact O-CE 3.29Å; D557-K755 WeakPolarHBondContact O-CE 3.42Å; D557-K755 PolarHBondContact O-NZ 3.39Å; D557-K755 IonicContact OD1-NZ 2.78Å; D557-K755 PolarHBondContact OD1-NZ 2.89Å; D557-A757 HydrophobicContact CB-CB 4.28Å; D557-A757 WeakPolarHBondContact O-CB 3.23Å; D557-A757 WeakPolarHBondContact OD2-CB 3.44Å
558	R	98.4	Very high	98.4	Very high	78 Å²	78	46.9 Å²	46.9	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-92.3	-41.8	169.3	176.4	175.4	159.7	67.1	8.5	113.6	K554 L555 L556 F560 E615 Y621 D758 F759 I760	K554-R558 PolarHBondContact O-N 3.11Å; L555-R558 PolarHBondContact O-N 3.35Å; L555-R558 VanDerWaalsContact O-N 3.15Å; L556-R558 PolarHBondContact O-N 3.04Å; R558-F560 VanDerWaalsContact C-N 3.27Å; R558-F560 PolarHBondContact O-N 3.31Å; R558-E615 WeakPolarHBondContact CD-OE1 3.36Å; R558-E615 IonicContact CZ-OE1 3.22Å; R558-E615 IonicContact CZ-OE2 2.7Å; R558-E615 IonicContact NE-OE1 3.98Å; R558-E615 PolarHBondContact NE-OE1 3.21Å; R558-E615 IonicContact NE-OE2 2.65Å; R558-E615 PolarHBondContact NE-OE2 2.96Å; R558-E615 VanDerWaalsContact NE-OE2 3.12Å; R558-E615 IonicContact NH2-OE1 2.55Å; R558-E615 IonicContact NH2-OE2 3.33Å; R558-E615 PolarHBondContact NH2-OE2 2.99Å; R558-Y621 WeakPolarHBondContact CD-OH 3.34Å; R558-D758 PolarHBondContact NH1-O 2.88Å; R558-F759 CarbonylContact O-C 3.59Å; R558-F759 WeakPolarHBondContact O-CA 3.45Å; R558-F759 VanDerWaalsContact O-CB 3.22Å; R558-F759 WeakPolarHBondContact O-CB 3.39Å; R558-I760 HydrophobicContact CG-CG1 4.27Å; R558-I760 PolarHBondContact O-N 2.87Å
559	L	98.8	Very high	98.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-37.8	177.9	-80.6	169.3	0	0	0	112.2	L555 L556 M575 M612 E615 I760	L555-L559 HydrophobicContact CD1-CD1 3.76Å; L555-L559 HydrophobicContact CD1-CG 3.99Å; L555-L559 HydrophobicContact CD2-CD1 4.44Å; L555-L559 HydrophobicContact CG-CD1 3.78Å; L555-L559 HydrophobicContact CG-CG 4.42Å; L555-L559 PolarHBondContact O-N 3.37Å; L556-L559 HydrophobicContact CD2-CD1 4.34Å; L556-L559 PolarHBondContact O-N 3.4Å; L559-M575 HydrophobicContact CB-SD 4.45Å; L559-M575 HydrophobicContact CD2-SD 4.18Å; L559-M612 HydrophobicContact CD1-CB 4.18Å; L559-M612 HydrophobicContact CD1-CG 3.88Å; L559-M612 HydrophobicContact CD1-SD 4.5Å; L559-E615 HydrophobicContact CD2-CB 3.93Å; L559-E615 HydrophobicContact CD2-CG 3.93Å; L559-E615 HydrophobicContact CG-CG 4.3Å; L559-I760 HydrophobicContact CD2-CD1 4.18Å
560	F	98.9	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-106.2	141.5	-164.8	-78.2	-72.3	0	0	0	114.2	L556 R558 S573 H574 M575 V586 I588 L598 K755	L556-F560 HydrophobicContact CB-CD2 4.41Å; L556-F560 HydrophobicContact CD2-CD2 4.08Å; L556-F560 HydrophobicContact CD2-CE2 3.76Å; L556-F560 WeakPolarHBondContact O-CB 3.37Å; L556-F560 WeakPolarHBondContact O-CD2 3.38Å; L556-F560 PolarHBondContact O-N 3.27Å; L556-F560 VanDerWaalsContact O-N 3.12Å; R558-F560 VanDerWaalsContact C-N 3.27Å; R558-F560 PolarHBondContact O-N 3.31Å; F560-S573 WeakPolarHBondContact CB-OG 3.43Å; F560-S573 WeakPolarHBondContact CD1-OG 3.35Å; F560-H574 WeakPolarHBondContact CA-O 3.48Å; F560-M575 HydrophobicContact CD1-CG 3.8Å; F560-M575 HydrophobicContact CE1-CB 4.46Å; F560-M575 HydrophobicContact CE1-CG 3.28Å; F560-M575 HydrophobicContact CE1-SD 4.29Å; F560-M575 HydrophobicContact CE2-CG 4.18Å; F560-M575 HydrophobicContact CE2-SD 4.35Å; F560-M575 HydrophobicContact CG-CG 4.45Å; F560-M575 HydrophobicContact CZ-CG 3.5Å; F560-M575 VanDerWaalsContact CZ-CG 3.5Å; F560-M575 HydrophobicContact CZ-SD 3.88Å; F560-V586 HydrophobicContact CE1-CB 3.7Å; F560-V586 HydrophobicContact CE1-CG1 4.48Å; F560-V586 HydrophobicContact CE1-CG2 3.79Å; F560-V586 HydrophobicContact CZ-CB 3.88Å; F560-V586 HydrophobicContact CZ-CG1 4.2Å; F560-V586 HydrophobicContact CZ-CG2 3.91Å; F560-I588 HydrophobicContact CB-CD1 4.16Å; F560-I588 HydrophobicContact CD1-CD1 3.85Å; F560-I588 HydrophobicContact CD2-CD1 3.66Å; F560-I588 HydrophobicContact CE1-CD1 4.15Å; F560-I588 HydrophobicContact CE1-CG1 4.49Å; F560-I588 HydrophobicContact CE2-CD1 4Å; F560-I588 HydrophobicContact CG-CD1 3.59Å; F560-I588 HydrophobicContact CZ-CD1 4.23Å; F560-L598 HydrophobicContact CE2-CD2 3.92Å; F560-L598 HydrophobicContact CZ-CD2 3.92Å; F560-K755 WeakPolarHBondContact O-CE 3.48Å; F560-K755 PolarHBondContact O-NZ 3.43Å
561	A	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-80.7	-20.3	-179.7	0	0	0	0	0	115	H574 L576 I751 K752 F759	A561-H574 PolarHBondContact N-O 2.92Å; A561-L576 HydrophobicContact CB-CD1 3.8Å; A561-L576 HydrophobicContact CB-CG 4.14Å; A561-I751 HydrophobicContact CB-CD1 3.62Å; A561-I751 HydrophobicContact CB-CG2 4.4Å; A561-K752 PolarHBondContact O-N 2.87Å; A561-F759 HydrophobicContact CB-CD2 3.94Å; A561-F759 HydrophobicContact CB-CE2 3.6Å; A561-F759 HydrophobicContact CB-CZ 4.23Å
562	N	98.8	Very high	98.5	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.053	20%	0.197	C	C	.	.	S	Bend	trans	-84.1	166.5	172.9	-155.3	-12.7	0	0	0	111.3	I572 S573 F750 K752 K755	N562-I572 PolarHBondContact ND2-O 3.45Å; N562-S573 WeakPolarHBondContact CB-OG 3.5Å; N562-S573 PolarHBondContact N-OG 2.68Å; N562-F750 VanDerWaalsContact CA-O 3.26Å; N562-F750 WeakPolarHBondContact CA-O 3.31Å; N562-F750 WeakPolarHBondContact CB-O 3.44Å; N562-F750 PolarHBondContact OD1-O 3.42Å; N562-K752 WeakPolarHBondContact OD1-CE 3.23Å; N562-K752 WeakPolarHBondContact OD1-CG 3.24Å; N562-K755 PolarHBondContact O-NZ 2.83Å
563	T	98.1	Very high	98.5	Very high	66 Å²	66	39 Å²	39	41%	0.405	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-69.8	141.4	161.4	43.4	0	0	0	0	109.9	N571 K752 K755	T563-N571 PolarHBondContact O-ND2 2.92Å; T563-K752 HydrophobicContact CG2-CB 4.34Å; T563-K752 HydrophobicContact CG2-CG 4.12Å; T563-K755 HydrophobicContact CG2-CB 4.31Å
564	L	98.1	Very high	98.6	Very high	31 Å²	31	34.9 Å²	34.9	16%	0.162	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-62.6	147.1	174.4	-59.5	-177.1	0	0	0	112.3	L553 L556 D557 I588 F596	L553-L564 HydrophobicContact CD2-CD1 3.99Å; L553-L564 WeakPolarHBondContact O-CD1 3.49Å; L556-L564 HydrophobicContact CB-CD1 3.92Å; L556-L564 HydrophobicContact CB-CD2 3.77Å; D557-L564 HydrophobicContact CB-CD1 3.96Å; D557-L564 HydrophobicContact CB-CG 4.19Å; L564-I588 HydrophobicContact CD2-CD1 4.01Å; L564-F596 HydrophobicContact CD1-CE1 4.4Å; L564-F596 HydrophobicContact CD1-CZ 4.18Å
565	P	98.2	Very high	98.6	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.071	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-72.2	161.6	174.9	32.6	-36.1	0	0	0	111.5	Q569 I588 Q590	P565-Q569 HydrophobicContact CB-CB 4.27Å; P565-Q569 WeakPolarHBondContact CB-O 3.48Å; P565-I588 HydrophobicContact CG-CB 4.28Å; P565-I588 HydrophobicContact CG-CG2 4.01Å; P565-Q590 HydrophobicContact CG-CB 4.3Å; P565-Q590 PolarHBondContact O-OE1 3.39Å
566	K	98.4	Very high	98.6	Very high	155 Å²	155	29 Å²	29	67%	0.674	15%	0.15	S	C	*	.	P	Polyproline II helix	trans	-81.8	162.2	171.5	-58.4	179.7	177.6	-176.7	0	110.9	G568 Q569 Q590	K566-G568 PolarHBondContact O-N 2.93Å; K566-Q569 HydrophobicContact CB-CG 4.37Å; K566-Q569 WeakPolarHBondContact O-CA 3.38Å; K566-Q569 VanDerWaalsContact O-CB 3.27Å; K566-Q569 WeakPolarHBondContact O-CB 3.15Å; K566-Q569 PolarHBondContact O-N 3.42Å; K566-Q590 VanDerWaalsContact C-OE1 3.3Å
567	V	98.5	Very high	98.6	Very high	71 Å²	71	29 Å²	29	43%	0.43	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-50.1	130.2	173.2	-175.9	0	0	0	0	110.7	Q569 Q590 P593	V567-Q569 VanDerWaalsContact C-N 3.3Å; V567-Q590 HydrophobicContact CG2-CG 4.03Å; V567-Q590 VanDerWaalsContact CG2-OE1 3.24Å; V567-P593 HydrophobicContact CG2-CG 4.09Å
568	G	98.3	Very high	98.6	Very high	19 Å²	19	30.4 Å²	30.4	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	14.9	-175.2	0	0	0	0	0	114.3	K566 Q590 H663 C664	K566-G568 PolarHBondContact O-N 2.93Å; G568-Q590 PolarHBondContact N-O 3.25Å; G568-H663 CarbonylContact O-C 3.52Å; G568-H663 WeakPolarHBondContact O-CA 3.3Å; G568-C664 PolarHBondContact O-N 2.77Å
569	Q	98.7	Very high	98.6	Very high	63 Å²	63	28.8 Å²	28.8	29%	0.294	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.9	177.1	-53.8	-167.8	-46.8	0	0	112.6	P565 K566 V567 T589 Q590 L662 H663	P565-Q569 HydrophobicContact CB-CB 4.27Å; P565-Q569 WeakPolarHBondContact CB-O 3.48Å; K566-Q569 HydrophobicContact CB-CG 4.37Å; K566-Q569 WeakPolarHBondContact O-CA 3.38Å; K566-Q569 VanDerWaalsContact O-CB 3.27Å; K566-Q569 WeakPolarHBondContact O-CB 3.15Å; K566-Q569 PolarHBondContact O-N 3.42Å; V567-Q569 VanDerWaalsContact C-N 3.3Å; Q569-T589 WeakPolarHBondContact O-CA 3.46Å; Q569-Q590 PolarHBondContact O-N 2.88Å; Q569-Q590 VanDerWaalsContact O-N 3.09Å; Q569-L662 CarbonylContact C-O 3.57Å; Q569-L662 WeakPolarHBondContact CA-O 3.42Å; Q569-H663 PolarHBondContact NE2-NE2 3.2Å
570	T	98.9	Very high	98.6	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.2	-175.3	-58.9	0	0	0	0	110.3	T587 I588 T589 L662 I677	T570-T587 HydrophobicContact CG2-CG2 3.37Å; T570-I588 CarbonylContact C-O 3.54Å; T570-I588 WeakPolarHBondContact CA-O 3.36Å; T570-T589 WeakPolarHBondContact CB-OG1 3.32Å; T570-T589 VanDerWaalsContact CG2-OG1 3.3Å; T570-T589 WeakPolarHBondContact CG2-OG1 3.46Å; T570-T589 WeakPolarHBondContact OG1-CG2 3.26Å; T570-T589 PolarHBondContact OG1-OG1 3.3Å; T570-L662 HydrophobicContact CG2-CD2 4.16Å; T570-L662 PolarHBondContact N-O 3.18Å; T570-L662 WeakPolarHBondContact O-CB 3.33Å; T570-I677 HydrophobicContact CG2-CG2 4.06Å; T570-I677 WeakPolarHBondContact OG1-CG2 3.31Å
571	N	98.3	Very high	98.6	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	167.2	161.5	65.3	16	0	0	0	112.4	T563 T587 I588	T563-N571 PolarHBondContact O-ND2 2.92Å; N571-T587 CarbonylContact O-C 3.46Å; N571-T587 WeakPolarHBondContact O-CA 3.36Å; N571-I588 PolarHBondContact N-O 2.6Å; N571-I588 PolarHBondContact O-N 2.87Å
572	I	98.7	Very high	98.6	Very high	36 Å²	36	32.4 Å²	32.4	19%	0.185	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.3	167.8	-50.1	-55.6	0	0	0	108.3	N562 E585 T587 I679 F750	N562-I572 PolarHBondContact ND2-O 3.45Å; I572-E585 HydrophobicContact CG2-CG 3.62Å; I572-T587 HydrophobicContact CD1-CG2 4.28Å; I572-T587 WeakPolarHBondContact CD1-OG1 3.18Å; I572-I679 HydrophobicContact CD1-CD1 4.08Å; I572-F750 HydrophobicContact CB-CD1 3.97Å; I572-F750 HydrophobicContact CB-CE1 3.79Å; I572-F750 HydrophobicContact CG1-CE1 4.28Å; I572-F750 HydrophobicContact CG2-CD1 4.44Å; I572-F750 HydrophobicContact CG2-CE1 4.37Å
573	S	98.7	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.4	179.9	-164.2	0	0	0	0	111.1	F560 N562 V586	F560-S573 WeakPolarHBondContact CB-OG 3.43Å; F560-S573 WeakPolarHBondContact CD1-OG 3.35Å; N562-S573 WeakPolarHBondContact CB-OG 3.5Å; N562-S573 PolarHBondContact N-OG 2.68Å; S573-V586 PolarHBondContact N-O 3.44Å; S573-V586 PolarHBondContact O-N 3.25Å
574	H	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	-173.7	-56.3	90.1	0	0	0	110.7	F560 A561 L576 V582 A584 E585 F750 I751	F560-H574 WeakPolarHBondContact CA-O 3.48Å; A561-H574 PolarHBondContact N-O 2.92Å; H574-L576 HydrophobicContact CB-CD2 4.05Å; H574-V582 HydrophobicContact CB-CG1 4.44Å; H574-A584 CarbonylContact C-O 3.49Å; H574-A584 VanDerWaalsContact CA-O 3.24Å; H574-A584 WeakPolarHBondContact CA-O 3.43Å; H574-E585 IonicContact CD2-OE2 2.76Å; H574-E585 IonicContact CE1-OE2 2.79Å; H574-E585 IonicContact NE2-OE2 3.22Å; H574-E585 PolarHBondContact NE2-OE2 2.91Å; H574-F750 AromaticContact CE1-CD2 3.84Å; H574-F750 AromaticContact CE1-CG 3.77Å; H574-I751 HydrophobicContact CB-CD1 4.43Å
575	M	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.4	162	-60.3	-163.5	-69.2	0	0	107.8	L559 F560 F583 A584 V586 D608 M612	L559-M575 HydrophobicContact CB-SD 4.45Å; L559-M575 HydrophobicContact CD2-SD 4.18Å; F560-M575 HydrophobicContact CD1-CG 3.8Å; F560-M575 HydrophobicContact CE1-CB 4.46Å; F560-M575 HydrophobicContact CE1-CG 3.28Å; F560-M575 HydrophobicContact CE1-SD 4.29Å; F560-M575 HydrophobicContact CE2-CG 4.18Å; F560-M575 HydrophobicContact CE2-SD 4.35Å; F560-M575 HydrophobicContact CG-CG 4.45Å; F560-M575 HydrophobicContact CZ-CG 3.5Å; F560-M575 VanDerWaalsContact CZ-CG 3.5Å; F560-M575 HydrophobicContact CZ-SD 3.88Å; M575-F583 HydrophobicContact CE-CD1 4.31Å; M575-F583 PolarHBondContact O-N 2.95Å; M575-A584 HydrophobicContact CB-CB 4.13Å; M575-A584 HydrophobicContact CE-CB 3.63Å; M575-A584 HydrophobicContact CG-CB 4.43Å; M575-A584 PolarHBondContact N-O 2.79Å; M575-A584 PolarHBondContact O-N 3.33Å; M575-A584 VanDerWaalsContact O-N 3.14Å; M575-V586 HydrophobicContact CE-CG2 4.45Å; M575-D608 HydrophobicContact CE-CB 3.83Å; M575-M612 HydrophobicContact CE-CG 4.02Å; M575-M612 HydrophobicContact SD-CG 3.61Å; M575-M612 HydrophobicContact SD-SD 4.21Å
576	L	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.3	-178.1	-53.5	178.6	0	0	0	111.4	A561 H574 R581 V582 P742 F759 I760 L765	A561-L576 HydrophobicContact CB-CD1 3.8Å; A561-L576 HydrophobicContact CB-CG 4.14Å; H574-L576 HydrophobicContact CB-CD2 4.05Å; L576-R581 CarbonylContact C-O 3.44Å; L576-R581 WeakPolarHBondContact CA-O 3.12Å; L576-R581 WeakPolarHBondContact CD2-O 3.44Å; L576-V582 HydrophobicContact CD2-CG2 4.22Å; L576-P742 HydrophobicContact CD1-CG 4.38Å; L576-P742 HydrophobicContact CD2-CG 3.96Å; L576-F759 HydrophobicContact CD1-CD2 4.49Å; L576-F759 HydrophobicContact CD1-CE2 4.03Å; L576-I760 WeakPolarHBondContact O-CG2 3.4Å; L576-L765 HydrophobicContact CD1-CD1 3.5Å; L576-L765 HydrophobicContact CD1-CG 4.09Å
577	T	98.9	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.			trans	-75	162.4	168.5	72.2	0	0	0	0	111.2	E424 A579 G580 R581 F583 G761	E424-T577 HydrophobicContact CB-CG2 3.89Å; E424-T577 WeakPolarHBondContact OE1-CB 3.42Å; E424-T577 PolarHBondContact OE1-OG1 2.81Å; E424-T577 WeakPolarHBondContact OE2-CB 3.32Å; E424-T577 PolarHBondContact OE2-OG1 3.28Å; T577-A579 PolarHBondContact O-N 3.03Å; T577-G580 WeakPolarHBondContact O-CA 3.43Å; T577-G580 PolarHBondContact O-N 3.07Å; T577-G580 PolarHBondContact OG1-N 2.78Å; T577-R581 HydrophobicContact CG2-CB 3.93Å; T577-R581 PolarHBondContact N-O 3.3Å; T577-R581 VanDerWaalsContact OG1-CB 3.31Å; T577-R581 WeakPolarHBondContact OG1-CB 3.42Å; T577-R581 WeakPolarHBondContact OG1-CG 3.37Å; T577-R581 PolarHBondContact OG1-N 2.65Å; T577-F583 HydrophobicContact CG2-CB 3.99Å; T577-F583 HydrophobicContact CG2-CD2 4.13Å; T577-G761 WeakPolarHBondContact O-CA 3.49Å; T577-G761 PolarHBondContact O-N 2.88Å
578	P	98.7	Very high	98.8	Very high	70 Å²	70	19 Å²	19	46%	0.455	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-37.5	171.6	-30.5	36.4	0	0	0	115	E424 G580 I760 A764	E424-P578 VanDerWaalsContact OE1-CD 3.27Å; E424-P578 WeakPolarHBondContact OE1-CD 3.47Å; P578-G580 PolarHBondContact O-N 3.2Å; P578-I760 HydrophobicContact CG-CG2 4.13Å; P578-A764 WeakPolarHBondContact O-CB 3.27Å
579	A	98.5	Very high	98.8	Very high	44 Å²	44	18.1 Å²	18.1	36%	0.364	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.1	174.5	0	0	0	0	0	114.4	E424 T577	E424-A579 WeakPolarHBondContact OE1-CB 3.37Å; E424-A579 PolarHBondContact OE1-N 3Å; E424-A579 WeakPolarHBondContact OE2-CB 3.42Å; T577-A579 PolarHBondContact O-N 3.03Å
580	G	98.6	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.			trans	80.3	20.7	174.4	0	0	0	0	0	115	T577 P578 N741 P742 L765	T577-G580 WeakPolarHBondContact O-CA 3.43Å; T577-G580 PolarHBondContact O-N 3.07Å; T577-G580 PolarHBondContact OG1-N 2.78Å; P578-G580 PolarHBondContact O-N 3.2Å; G580-N741 WeakPolarHBondContact O-CB 3.4Å; G580-P742 VanDerWaalsContact O-CD 3.29Å; G580-P742 WeakPolarHBondContact O-CD 3.2Å; G580-L765 WeakPolarHBondContact O-CD2 3.45Å
581	R	98.8	Very high	98.8	Very high	76 Å²	76	16.7 Å²	16.7	29%	0.287	9%	0.092	S	C	.	.			trans	-79.3	155	174.9	-51	-64.1	-176	77.4	7.2	111.4	L576 T577 F583 C738 T740	L576-R581 CarbonylContact C-O 3.44Å; L576-R581 WeakPolarHBondContact CA-O 3.12Å; L576-R581 WeakPolarHBondContact CD2-O 3.44Å; T577-R581 HydrophobicContact CG2-CB 3.93Å; T577-R581 PolarHBondContact N-O 3.3Å; T577-R581 VanDerWaalsContact OG1-CB 3.31Å; T577-R581 WeakPolarHBondContact OG1-CB 3.42Å; T577-R581 WeakPolarHBondContact OG1-CG 3.37Å; T577-R581 PolarHBondContact OG1-N 2.65Å; R581-F583 PolarHBondContact O-N 3.49Å; R581-F583 VanDerWaalsContact O-N 3.11Å; R581-C738 WeakPolarHBondContact CB-O 3.11Å; R581-C738 VanDerWaalsContact CD-O 3.27Å; R581-C738 WeakPolarHBondContact CD-O 3.32Å; R581-C738 VanDerWaalsContact CG-O 3.22Å; R581-C738 WeakPolarHBondContact CG-O 3.45Å; R581-C738 PolarHBondContact NH1-O 2.92Å; R581-T740 CarbonylContact C-O 3.53Å; R581-T740 WeakPolarHBondContact CA-O 3.35Å
582	V	98.9	Very high	98.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	86.5	179	-170.2	0	0	0	0	110.9	H574 L576 W732 M736 N737 T740 P742	H574-V582 HydrophobicContact CB-CG1 4.44Å; L576-V582 HydrophobicContact CD2-CG2 4.22Å; V582-W732 PolarHBondContact O-NE1 2.98Å; V582-M736 HydrophobicContact CB-CB 4.06Å; V582-M736 HydrophobicContact CB-CG 4.12Å; V582-M736 HydrophobicContact CG1-CB 4.28Å; V582-M736 HydrophobicContact CG1-CG 3.77Å; V582-M736 HydrophobicContact CG2-CB 4.07Å; V582-M736 HydrophobicContact CG2-CG 4.33Å; V582-N737 CarbonylContact O-C 3.4Å; V582-N737 WeakPolarHBondContact O-CA 3.42Å; V582-T740 PolarHBondContact N-O 3.42Å; V582-P742 HydrophobicContact CG2-CB 3.84Å; V582-P742 HydrophobicContact CG2-CG 4.22Å
583	F	98.9	Very high	98.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-40.7	176.8	-171.1	-90.2	0	0	0	112.1	M575 T577 R581 H607 W611 W732	M575-F583 HydrophobicContact CE-CD1 4.31Å; M575-F583 PolarHBondContact O-N 2.95Å; T577-F583 HydrophobicContact CG2-CB 3.99Å; T577-F583 HydrophobicContact CG2-CD2 4.13Å; R581-F583 PolarHBondContact O-N 3.49Å; R581-F583 VanDerWaalsContact O-N 3.11Å; F583-H607 AromaticContact CD1-CE1 3.77Å; F583-H607 AromaticContact CE1-CE1 3.27Å; F583-H607 WeakPolarHBondContact CE1-CE1 3.44Å; F583-H607 AromaticContact CE1-ND1 3.55Å; F583-H607 AromaticContact CE1-NE2 3.96Å; F583-H607 AromaticContact CE2-CE1 3.63Å; F583-H607 AromaticContact CE2-NE2 3.58Å; F583-H607 AromaticContact CZ-CE1 3.21Å; F583-H607 WeakPolarHBondContact CZ-CE1 3.37Å; F583-H607 AromaticContact CZ-ND1 3.73Å; F583-H607 AromaticContact CZ-NE2 3.39Å; F583-H607 WeakPolarHBondContact CZ-NE2 3.17Å; F583-H607 PolarHBondContact O-CE1 3.18Å; F583-W611 HydrophobicContact CD1-CB 4.03Å; F583-W611 HydrophobicContact CD1-CD2 4.01Å; F583-W611 HydrophobicContact CD1-CE3 4.39Å; F583-W611 AromaticContact CD1-CG 3.85Å; F583-W611 HydrophobicContact CD1-CG 3.85Å; F583-W611 HydrophobicContact CD2-CD2 4.3Å; F583-W611 AromaticContact CD2-CE3 3.96Å; F583-W611 HydrophobicContact CD2-CE3 3.96Å; F583-W611 HydrophobicContact CD2-CZ3 4.18Å; F583-W611 HydrophobicContact CE1-CB 3.37Å; F583-W611 AromaticContact CE1-CD2 3.96Å; F583-W611 HydrophobicContact CE1-CD2 3.96Å; F583-W611 HydrophobicContact CE1-CE3 4.12Å; F583-W611 AromaticContact CE1-CG 3.66Å; F583-W611 HydrophobicContact CE1-CG 3.66Å; F583-W611 HydrophobicContact CE2-CD2 4.24Å; F583-W611 AromaticContact CE2-CE3 3.64Å; F583-W611 HydrophobicContact CE2-CE3 3.64Å; F583-W611 HydrophobicContact CE2-CZ3 4.1Å; F583-W611 HydrophobicContact CG-CD2 4.19Å; F583-W611 HydrophobicContact CG-CE3 4.31Å; F583-W611 HydrophobicContact CG-CG 4.49Å; F583-W611 HydrophobicContact CZ-CB 3.85Å; F583-W611 HydrophobicContact CZ-CD2 4.06Å; F583-W611 AromaticContact CZ-CE3 3.73Å; F583-W611 HydrophobicContact CZ-CE3 3.73Å; F583-W611 HydrophobicContact CZ-CG 4.15Å; F583-W732 VanDerWaalsContact O-CE2 3.3Å; F583-W732 WeakPolarHBondContact O-CZ2 3.21Å; F583-W732 PolarHBondContact O-NE1 2.7Å
584	A	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.3	176.1	0	0	0	0	0	113	H574 M575 V586 D608	H574-A584 CarbonylContact C-O 3.49Å; H574-A584 VanDerWaalsContact CA-O 3.24Å; H574-A584 WeakPolarHBondContact CA-O 3.43Å; M575-A584 HydrophobicContact CB-CB 4.13Å; M575-A584 HydrophobicContact CE-CB 3.63Å; M575-A584 HydrophobicContact CG-CB 4.43Å; M575-A584 PolarHBondContact N-O 2.79Å; M575-A584 PolarHBondContact O-N 3.33Å; M575-A584 VanDerWaalsContact O-N 3.14Å; A584-V586 HydrophobicContact CB-CG2 4.08Å; A584-D608 WeakPolarHBondContact CB-OD1 3.41Å; A584-D608 WeakPolarHBondContact CB-OD2 3.41Å
585	E	98.9	Very high	98.6	Very high	38 Å²	38	25.4 Å²	25.4	18%	0.178	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.9	159.8	-179.3	169.8	75.7	0	0	109.3	I572 H574 W732 M736	I572-E585 HydrophobicContact CG2-CG 3.62Å; H574-E585 IonicContact CD2-OE2 2.76Å; H574-E585 IonicContact CE1-OE2 2.79Å; H574-E585 IonicContact NE2-OE2 3.22Å; H574-E585 PolarHBondContact NE2-OE2 2.91Å; E585-W732 HydrophobicContact CB-CB 4.09Å; E585-M736 HydrophobicContact CB-CE 3.84Å; E585-M736 HydrophobicContact CG-CE 4.17Å; E585-M736 VanDerWaalsContact OE1-CE 3.29Å; E585-M736 WeakPolarHBondContact OE1-CE 3.21Å; E585-M736 VanDerWaalsContact OE2-CE 3.31Å; E585-M736 WeakPolarHBondContact OE2-CE 3.45Å
586	V	98.8	Very high	98.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135	-174	-170.9	0	0	0	0	110.1	F560 S573 M575 A584 L598 V599	F560-V586 HydrophobicContact CE1-CB 3.7Å; F560-V586 HydrophobicContact CE1-CG1 4.48Å; F560-V586 HydrophobicContact CE1-CG2 3.79Å; F560-V586 HydrophobicContact CZ-CB 3.88Å; F560-V586 HydrophobicContact CZ-CG1 4.2Å; F560-V586 HydrophobicContact CZ-CG2 3.91Å; S573-V586 PolarHBondContact N-O 3.44Å; S573-V586 PolarHBondContact O-N 3.25Å; M575-V586 HydrophobicContact CE-CG2 4.45Å; A584-V586 HydrophobicContact CB-CG2 4.08Å; V586-L598 HydrophobicContact CG1-CB 3.92Å; V586-L598 HydrophobicContact CG1-CD2 3.74Å; V586-L598 HydrophobicContact CG1-CG 4.47Å; V586-V599 WeakPolarHBondContact CA-O 3.42Å; V586-V599 WeakPolarHBondContact CG1-O 3.26Å
587	T	98.9	Very high	98.6	Very high	23 Å²	23	25.6 Å²	25.6	14%	0.141	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.4	167.6	-62.1	0	0	0	0	108.9	T570 N571 I572 L598 V599 I679	T570-T587 HydrophobicContact CG2-CG2 3.37Å; N571-T587 CarbonylContact O-C 3.46Å; N571-T587 WeakPolarHBondContact O-CA 3.36Å; I572-T587 HydrophobicContact CD1-CG2 4.28Å; I572-T587 WeakPolarHBondContact CD1-OG1 3.18Å; T587-L598 WeakPolarHBondContact O-CA 3.37Å; T587-V599 PolarHBondContact N-O 3.43Å; T587-V599 PolarHBondContact O-N 2.87Å; T587-I679 HydrophobicContact CG2-CD1 4.46Å
588	I	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.1	177.2	-43.2	-174.5	0	0	0	109	F560 L564 P565 T570 N571 F596 L598	F560-I588 HydrophobicContact CB-CD1 4.16Å; F560-I588 HydrophobicContact CD1-CD1 3.85Å; F560-I588 HydrophobicContact CD2-CD1 3.66Å; F560-I588 HydrophobicContact CE1-CD1 4.15Å; F560-I588 HydrophobicContact CE1-CG1 4.49Å; F560-I588 HydrophobicContact CE2-CD1 4Å; F560-I588 HydrophobicContact CG-CD1 3.59Å; F560-I588 HydrophobicContact CZ-CD1 4.23Å; L564-I588 HydrophobicContact CD2-CD1 4.01Å; P565-I588 HydrophobicContact CG-CB 4.28Å; P565-I588 HydrophobicContact CG-CG2 4.01Å; T570-I588 CarbonylContact C-O 3.54Å; T570-I588 WeakPolarHBondContact CA-O 3.36Å; N571-I588 PolarHBondContact N-O 2.6Å; N571-I588 PolarHBondContact O-N 2.87Å; I588-F596 HydrophobicContact CG2-CD1 3.93Å; I588-L598 HydrophobicContact CB-CD2 4.18Å; I588-L598 HydrophobicContact CD1-CD2 4.39Å; I588-L598 HydrophobicContact CG1-CD2 3.78Å; I588-L598 HydrophobicContact CG2-CD2 3.97Å
589	T	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.9	172.1	-60.2	0	0	0	0	110.1	Q569 T570 L591 F596 L597 C664 I677	Q569-T589 WeakPolarHBondContact O-CA 3.46Å; T570-T589 WeakPolarHBondContact CB-OG1 3.32Å; T570-T589 VanDerWaalsContact CG2-OG1 3.3Å; T570-T589 WeakPolarHBondContact CG2-OG1 3.46Å; T570-T589 WeakPolarHBondContact OG1-CG2 3.26Å; T570-T589 PolarHBondContact OG1-OG1 3.3Å; T589-L591 HydrophobicContact CG2-CD2 4.05Å; T589-L591 PolarHBondContact O-N 2.7Å; T589-F596 CarbonylContact O-C 3.57Å; T589-F596 VanDerWaalsContact O-CA 3.26Å; T589-F596 WeakPolarHBondContact O-CA 3.32Å; T589-L597 PolarHBondContact N-O 3.4Å; T589-L597 PolarHBondContact O-N 2.97Å; T589-C664 HydrophobicContact CG2-CB 3.43Å; T589-C664 VanDerWaalsContact CG2-CB 3.43Å; T589-I677 HydrophobicContact CG2-CD1 4.29Å
590	Q	98.7	Very high	98.6	Very high	15 Å²	15	20.9 Å²	20.9	7%	0.07	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.9	173.3	-171.6	171.4	57.4	0	0	109.6	P565 K566 V567 G568 Q569 T592 F596	P565-Q590 HydrophobicContact CG-CB 4.3Å; P565-Q590 PolarHBondContact O-OE1 3.39Å; K566-Q590 VanDerWaalsContact C-OE1 3.3Å; V567-Q590 HydrophobicContact CG2-CG 4.03Å; V567-Q590 VanDerWaalsContact CG2-OE1 3.24Å; G568-Q590 PolarHBondContact N-O 3.25Å; Q569-Q590 PolarHBondContact O-N 2.88Å; Q569-Q590 VanDerWaalsContact O-N 3.09Å; Q590-T592 VanDerWaalsContact CG-O 3.31Å; Q590-T592 WeakPolarHBondContact CG-O 3.35Å; Q590-F596 HydrophobicContact CB-CD1 3.77Å; Q590-F596 HydrophobicContact CB-CE1 3.66Å; Q590-F596 HydrophobicContact CG-CD1 4.02Å; Q590-F596 HydrophobicContact CG-CE1 3.7Å; Q590-F596 HydrophobicContact CG-CZ 4.07Å
591	L	98.3	Very high	98.6	Very high	24 Å²	24	22.3 Å²	22.3	13%	0.126	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-53	-175.4	-58.2	179.9	0	0	0	111.2	I546 T589 E595 L597	I546-L591 HydrophobicContact CD1-CD1 4.01Å; T589-L591 HydrophobicContact CG2-CD2 4.05Å; T589-L591 PolarHBondContact O-N 2.7Å; L591-E595 HydrophobicContact CB-CB 4.5Å; L591-E595 HydrophobicContact CB-CG 4.34Å; L591-E595 HydrophobicContact CD1-CG 4.2Å; L591-E595 PolarHBondContact N-O 2.83Å; L591-L597 HydrophobicContact CD1-CB 4.06Å; L591-L597 HydrophobicContact CD2-CB 4Å; L591-L597 HydrophobicContact CG-CB 4.14Å
592	T	97.9	Very high	98.6	Very high	61 Å²	61	19.9 Å²	19.9	37%	0.374	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169.9	178	73.9	0	0	0	0	108.4	Q590 G594 E595	Q590-T592 VanDerWaalsContact CG-O 3.31Å; Q590-T592 WeakPolarHBondContact CG-O 3.35Å; T592-G594 PolarHBondContact O-N 3.04Å; T592-E595 WeakPolarHBondContact CG2-OE2 3.43Å; T592-E595 PolarHBondContact N-O 3.38Å; T592-E595 PolarHBondContact O-N 3.29Å; T592-E595 WeakPolarHBondContact OG1-CB 3.31Å; T592-E595 PolarHBondContact OG1-OE2 2.91Å
593	P	97.9	Very high	98.5	Very high	115 Å²	115	21.9 Å²	21.9	75%	0.747	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	108.1	178.4	-23.4	33.7	0	0	0	112	V567	V567-P593 HydrophobicContact CG2-CG 4.09Å
594	G	95.9	Very high	98.5	Very high	14 Å²	14	22.2 Å²	22.2	14%	0.144	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	16.6	-177.3	0	0	0	0	0	115.4	K548 S552 T592	K548-G594 WeakPolarHBondContact CA-O 3.41Å; S552-G594 PolarHBondContact OG-O 2.82Å; S552-G594 VanDerWaalsContact OG-O 3.04Å; T592-G594 PolarHBondContact O-N 3.04Å
595	E	98.6	Very high	98.5	Very high	52 Å²	52	22.8 Å²	22.8	24%	0.243	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.8	173.5	-171	-169.4	179.3	0	0	110.3	I546 K548 L591 T592	I546-E595 HydrophobicContact CG2-CG 4.37Å; K548-E595 HydrophobicContact CB-CB 4.4Å; K548-E595 HydrophobicContact CB-CG 4.25Å; L591-E595 HydrophobicContact CB-CB 4.5Å; L591-E595 HydrophobicContact CB-CG 4.34Å; L591-E595 HydrophobicContact CD1-CG 4.2Å; L591-E595 PolarHBondContact N-O 2.83Å; T592-E595 WeakPolarHBondContact CG2-OE2 3.43Å; T592-E595 PolarHBondContact N-O 3.38Å; T592-E595 PolarHBondContact O-N 3.29Å; T592-E595 WeakPolarHBondContact OG1-CB 3.31Å; T592-E595 PolarHBondContact OG1-OE2 2.91Å
596	F	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.4	-174.2	-60.1	-97	0	0	0	111.6	I546 V547 L553 L556 L564 I588 T589 Q590	I546-F596 WeakPolarHBondContact CA-O 3.44Å; V547-F596 PolarHBondContact N-O 3.08Å; V547-F596 PolarHBondContact O-N 3.24Å; L553-F596 HydrophobicContact CD2-CE2 4.41Å; L553-F596 HydrophobicContact CD2-CZ 3.76Å; L553-F596 HydrophobicContact CG-CE2 4.25Å; L553-F596 HydrophobicContact CG-CZ 4.09Å; L556-F596 HydrophobicContact CD1-CB 3.91Å; L556-F596 HydrophobicContact CD1-CD1 3.96Å; L556-F596 HydrophobicContact CD1-CD2 3.35Å; L556-F596 HydrophobicContact CD1-CE1 4.28Å; L556-F596 HydrophobicContact CD1-CE2 3.73Å; L556-F596 HydrophobicContact CD1-CG 3.47Å; L556-F596 VanDerWaalsContact CD1-CG 3.47Å; L556-F596 HydrophobicContact CD1-CZ 4.16Å; L564-F596 HydrophobicContact CD1-CE1 4.4Å; L564-F596 HydrophobicContact CD1-CZ 4.18Å; I588-F596 HydrophobicContact CG2-CD1 3.93Å; T589-F596 CarbonylContact O-C 3.57Å; T589-F596 VanDerWaalsContact O-CA 3.26Å; T589-F596 WeakPolarHBondContact O-CA 3.32Å; Q590-F596 HydrophobicContact CB-CD1 3.77Å; Q590-F596 HydrophobicContact CB-CE1 3.66Å; Q590-F596 HydrophobicContact CG-CD1 4.02Å; Q590-F596 HydrophobicContact CG-CE1 3.7Å; Q590-F596 HydrophobicContact CG-CZ 4.07Å
597	L	98.9	Very high	98.5	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131	160.2	171.4	64.7	0	0	0	108.2	K544 F545 I546 T589 L591 V599 I677 Y690	K544-L597 HydrophobicContact CB-CD1 4.48Å; F545-L597 WeakPolarHBondContact O-CA 3.41Å; I546-L597 HydrophobicContact CD1-CB 4.18Å; I546-L597 HydrophobicContact CD1-CD1 3.92Å; T589-L597 PolarHBondContact N-O 3.4Å; T589-L597 PolarHBondContact O-N 2.97Å; L591-L597 HydrophobicContact CD1-CB 4.06Å; L591-L597 HydrophobicContact CD2-CB 4Å; L591-L597 HydrophobicContact CG-CB 4.14Å; L597-V599 HydrophobicContact CD1-CG2 4.1Å; L597-V599 HydrophobicContact CD2-CG2 4.17Å; L597-V599 HydrophobicContact CG-CG2 3.86Å; L597-I677 HydrophobicContact CD2-CD1 4.4Å; L597-Y690 HydrophobicContact CD2-CD1 4.17Å; L597-Y690 HydrophobicContact CD2-CE1 4.28Å; L597-Y690 HydrophobicContact CD2-CG 4.46Å
598	L	98.9	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.3	175.3	-68.3	154	0	0	0	108.3	K544 F545 V547 L556 F560 V586 T587 I588 M612	K544-L598 WeakPolarHBondContact CA-O 3.33Å; F545-L598 HydrophobicContact CB-CB 4.26Å; F545-L598 HydrophobicContact CD2-CB 3.93Å; F545-L598 PolarHBondContact N-O 3.44Å; F545-L598 PolarHBondContact O-N 2.97Å; V547-L598 HydrophobicContact CB-CD1 4.05Å; V547-L598 HydrophobicContact CG2-CD1 3.46Å; V547-L598 VanDerWaalsContact CG2-CD1 3.46Å; L556-L598 HydrophobicContact CD2-CD1 3.93Å; L556-L598 HydrophobicContact CD2-CD2 4.4Å; F560-L598 HydrophobicContact CE2-CD2 3.92Å; F560-L598 HydrophobicContact CZ-CD2 3.92Å; V586-L598 HydrophobicContact CG1-CB 3.92Å; V586-L598 HydrophobicContact CG1-CD2 3.74Å; V586-L598 HydrophobicContact CG1-CG 4.47Å; T587-L598 WeakPolarHBondContact O-CA 3.37Å; I588-L598 HydrophobicContact CB-CD2 4.18Å; I588-L598 HydrophobicContact CD1-CD2 4.39Å; I588-L598 HydrophobicContact CG1-CD2 3.78Å; I588-L598 HydrophobicContact CG2-CD2 3.97Å; L598-M612 HydrophobicContact CD1-CE 4.47Å; L598-M612 HydrophobicContact CD1-SD 3.94Å
599	V	98.9	Very high	98.5	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.2	-176.7	-169.8	0	0	0	0	110.6	F542 G543 V586 T587 L597 Y690	F542-V599 HydrophobicContact CB-CG1 3.64Å; F542-V599 HydrophobicContact CD2-CG1 3.69Å; F542-V599 HydrophobicContact CE2-CG1 4.45Å; F542-V599 HydrophobicContact CG-CG1 3.8Å; G543-V599 CarbonylContact O-C 3.56Å; G543-V599 WeakPolarHBondContact O-CA 3.24Å; V586-V599 WeakPolarHBondContact CA-O 3.42Å; V586-V599 WeakPolarHBondContact CG1-O 3.26Å; T587-V599 PolarHBondContact N-O 3.43Å; T587-V599 PolarHBondContact O-N 2.87Å; L597-V599 HydrophobicContact CD1-CG2 4.1Å; L597-V599 HydrophobicContact CD2-CG2 4.17Å; L597-V599 HydrophobicContact CG-CG2 3.86Å; V599-Y690 HydrophobicContact CG1-CE1 4.38Å; V599-Y690 HydrophobicContact CG2-CE1 3.85Å
600	T	98.9	Very high	98.5	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	176.6	-177.4	-170	0	0	0	0	111.6	F542 G543 F545 D608	F542-T600 CarbonylContact C-O 3.51Å; F542-T600 VanDerWaalsContact CA-O 3.32Å; F542-T600 WeakPolarHBondContact CA-O 3.19Å; F542-T600 WeakPolarHBondContact CB-O 3.43Å; F542-T600 WeakPolarHBondContact CD1-O 3.19Å; G543-T600 PolarHBondContact N-O 2.88Å; G543-T600 PolarHBondContact O-N 3.29Å; F545-T600 HydrophobicContact CE2-CG2 3.65Å; F545-T600 HydrophobicContact CZ-CG2 3.84Å; T600-D608 VanDerWaalsContact CB-OD2 3.25Å; T600-D608 WeakPolarHBondContact CB-OD2 3.26Å; T600-D608 HydrophobicContact CG2-CB 4.4Å; T600-D608 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D608 PolarHBondContact OG1-OD2 3.15Å
601	G	98.6	Very high	98.5	Very high	30 Å²	30	23.6 Å²	23.6	31%	0.309	15%	0.152	S	C	.	.			trans	-63.4	155.5	176.2	0	0	0	0	0	113.4	G603 S604 E605	G601-G603 PolarHBondContact O-N 3.26Å; G601-S604 PolarHBondContact O-N 2.94Å; G601-S604 VanDerWaalsContact O-N 3.16Å; G601-E605 PolarHBondContact O-N 2.87Å
602	S	98.6	Very high	98.5	Very high	25 Å²	25	22.5 Å²	22.5	18%	0.175	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.8	-43.5	179.2	54.9	0	0	0	0	112.7	A493 P541 S604	A493-S602 WeakPolarHBondContact CB-O 3.37Å; P541-S602 VanDerWaalsContact O-CA 3.32Å; P541-S602 WeakPolarHBondContact O-CA 3.25Å; P541-S602 WeakPolarHBondContact O-CB 3.28Å; S602-S604 PolarHBondContact O-N 3.24Å
603	G	98	Very high	98.6	Very high	42 Å²	42	22.4 Å²	22.4	43%	0.433	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-70.6	-15.2	175.4	0	0	0	0	0	114.7	G601	G601-G603 PolarHBondContact O-N 3.26Å
604	S	98.6	Very high	98.5	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.063	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-99.2	-3.7	-177.9	-50.1	0	0	0	0	113.1	G601 S602 L606 H607 D608 W732	G601-S604 PolarHBondContact O-N 2.94Å; G601-S604 VanDerWaalsContact O-N 3.16Å; S602-S604 PolarHBondContact O-N 3.24Å; S604-L606 PolarHBondContact O-N 3.37Å; S604-H607 PolarHBondContact O-N 3.16Å; S604-D608 WeakPolarHBondContact O-CB 3.47Å; S604-D608 PolarHBondContact O-N 3.02Å; S604-W732 VanDerWaalsContact OG-CE3 3.23Å; S604-W732 VanDerWaalsContact OG-CZ3 3.28Å; S604-W732 WeakPolarHBondContact OG-CZ3 3.14Å
605	E	98.9	Very high	98.6	Very high	11 Å²	11	19.3 Å²	19.3	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-49.3	-64.4	-170.2	-178.6	-168.9	166.1	0	0	113.7	R475 F545 G601 L609 N627 T629	R475-E605 IonicContact CZ-OE2 3.72Å; R475-E605 IonicContact NH1-OE2 2.81Å; R475-E605 PolarHBondContact NH1-OE2 3Å; R475-E605 VanDerWaalsContact NH2-CD 3.29Å; R475-E605 IonicContact NH2-OE1 2.71Å; R475-E605 PolarHBondContact NH2-OE1 3.44Å; R475-E605 IonicContact NH2-OE2 2.75Å; R475-E605 PolarHBondContact NH2-OE2 3.23Å; F545-E605 HydrophobicContact CE1-CG 4.24Å; F545-E605 HydrophobicContact CZ-CG 4.36Å; F545-E605 WeakPolarHBondContact CZ-O 3.41Å; G601-E605 PolarHBondContact O-N 2.87Å; E605-L609 WeakPolarHBondContact O-CB 3.2Å; E605-L609 PolarHBondContact O-N 2.91Å; E605-N627 PolarHBondContact OE1-ND2 3Å; E605-T629 HydrophobicContact CG-CG2 4.45Å; E605-T629 WeakPolarHBondContact OE1-CB 3.43Å; E605-T629 PolarHBondContact OE1-OG1 2.89Å
606	L	98.8	Very high	98.6	Very high	26 Å²	26	17.3 Å²	17.3	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-84	-20.6	-176	-59.2	-178.9	0	0	0	112.6	Q391 N435 S604 L609 R610	Q391-L606 HydrophobicContact CG-CB 4.45Å; N435-L606 HydrophobicContact CB-CB 3.58Å; N435-L606 HydrophobicContact CB-CD1 4.23Å; S604-L606 PolarHBondContact O-N 3.37Å; L606-L609 HydrophobicContact CD2-CD2 3.85Å; L606-R610 WeakPolarHBondContact O-CB 3.47Å; L606-R610 PolarHBondContact O-N 3.45Å; L606-R610 VanDerWaalsContact O-N 3.07Å
607	H	98.9	Very high	98.4	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-50	170.5	169.8	-86.4	0	0	0	111.1	I430 D433 F583 S604 R610	I430-H607 HydrophobicContact CD1-CB 3.94Å; D433-H607 IonicContact OD2-CD2 2.69Å; D433-H607 PolarHBondContact OD2-CD2 3.43Å; F583-H607 AromaticContact CD1-CE1 3.77Å; F583-H607 AromaticContact CE1-CE1 3.27Å; F583-H607 WeakPolarHBondContact CE1-CE1 3.44Å; F583-H607 AromaticContact CE1-ND1 3.55Å; F583-H607 AromaticContact CE1-NE2 3.96Å; F583-H607 AromaticContact CE2-CE1 3.63Å; F583-H607 AromaticContact CE2-NE2 3.58Å; F583-H607 AromaticContact CZ-CE1 3.21Å; F583-H607 WeakPolarHBondContact CZ-CE1 3.37Å; F583-H607 AromaticContact CZ-ND1 3.73Å; F583-H607 AromaticContact CZ-NE2 3.39Å; F583-H607 WeakPolarHBondContact CZ-NE2 3.17Å; F583-H607 PolarHBondContact O-CE1 3.18Å; S604-H607 PolarHBondContact O-N 3.16Å; H607-R610 PolarHBondContact CD2-NH2 3.02Å
608	D	98.9	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-73.2	-43	-179.3	-66.9	2.6	0	0	0	111.4	M575 A584 T600 S604 R610 W611 M612	M575-D608 HydrophobicContact CE-CB 3.83Å; A584-D608 WeakPolarHBondContact CB-OD1 3.41Å; A584-D608 WeakPolarHBondContact CB-OD2 3.41Å; T600-D608 VanDerWaalsContact CB-OD2 3.25Å; T600-D608 WeakPolarHBondContact CB-OD2 3.26Å; T600-D608 HydrophobicContact CG2-CB 4.4Å; T600-D608 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D608 PolarHBondContact OG1-OD2 3.15Å; S604-D608 WeakPolarHBondContact O-CB 3.47Å; S604-D608 PolarHBondContact O-N 3.02Å; D608-R610 VanDerWaalsContact C-N 3.33Å; D608-R610 PolarHBondContact O-N 2.86Å; D608-W611 PolarHBondContact O-N 3.07Å; D608-M612 WeakPolarHBondContact O-CG 3.36Å; D608-M612 PolarHBondContact O-N 3.33Å
609	L	98.9	Very high	98	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-46.8	177.5	179.5	61.7	0	0	0	111.7	Q391 F545 E605 L606 W611 M612 E613 I625 N627	Q391-L609 HydrophobicContact CG-CD2 4.29Å; Q391-L609 HydrophobicContact CG-CG 4.39Å; F545-L609 HydrophobicContact CD1-CB 4.45Å; F545-L609 HydrophobicContact CD1-CD1 3.97Å; F545-L609 HydrophobicContact CE1-CB 3.91Å; F545-L609 HydrophobicContact CE1-CD1 4.27Å; F545-L609 HydrophobicContact CE1-CD2 4.4Å; F545-L609 HydrophobicContact CE1-CG 4.42Å; F545-L609 HydrophobicContact CZ-CB 4.28Å; E605-L609 WeakPolarHBondContact O-CB 3.2Å; E605-L609 PolarHBondContact O-N 2.91Å; L606-L609 HydrophobicContact CD2-CD2 3.85Å; L609-W611 VanDerWaalsContact C-N 3.27Å; L609-W611 PolarHBondContact O-N 2.95Å; L609-M612 HydrophobicContact CD1-CE 4.5Å; L609-M612 PolarHBondContact O-N 2.88Å; L609-M612 VanDerWaalsContact O-N 3.15Å; L609-E613 HydrophobicContact CD1-CG 4.07Å; L609-E613 HydrophobicContact CG-CG 4.24Å; L609-E613 WeakPolarHBondContact O-CB 3.41Å; L609-E613 WeakPolarHBondContact O-CG 3.35Å; L609-E613 PolarHBondContact O-N 2.96Å; L609-I625 HydrophobicContact CD1-CG2 3.66Å; L609-N627 HydrophobicContact CD2-CB 3.98Å
610	R	98.8	Very high	97.9	Very high	21 Å²	21	37 Å²	37	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-39.1	178.3	179.6	-178.7	62.9	-144.9	-5.2	112.8	P389 Q391 D433 N435 L606 H607 D608 A614	P389-R610 WeakPolarHBondContact O-CD 3.23Å; P389-R610 PolarHBondContact O-NH1 3.49Å; Q391-R610 HydrophobicContact CB-CB 3.96Å; Q391-R610 HydrophobicContact CB-CG 4.33Å; Q391-R610 HydrophobicContact CG-CB 3.98Å; D433-R610 VanDerWaalsContact CG-NH1 3.3Å; D433-R610 IonicContact OD1-CZ 2.84Å; D433-R610 IonicContact OD1-NH1 2.66Å; D433-R610 PolarHBondContact OD1-NH1 3.18Å; D433-R610 IonicContact OD1-NH2 2.67Å; D433-R610 IonicContact OD2-CZ 2.64Å; D433-R610 VanDerWaalsContact OD2-CZ 3.26Å; D433-R610 IonicContact OD2-NH1 3Å; D433-R610 PolarHBondContact OD2-NH1 2.75Å; D433-R610 IonicContact OD2-NH2 2.76Å; D433-R610 PolarHBondContact OD2-NH2 2.99Å; N435-R610 PolarHBondContact OD1-NH1 3.39Å; L606-R610 WeakPolarHBondContact O-CB 3.47Å; L606-R610 PolarHBondContact O-N 3.45Å; L606-R610 VanDerWaalsContact O-N 3.07Å; H607-R610 PolarHBondContact CD2-NH2 3.02Å; D608-R610 VanDerWaalsContact C-N 3.33Å; D608-R610 PolarHBondContact O-N 2.86Å; R610-A614 VanDerWaalsContact O-CB 3.31Å; R610-A614 WeakPolarHBondContact O-CB 3.24Å; R610-A614 PolarHBondContact O-N 3.33Å
611	W	98.7	Very high	97.9	Very high	35 Å²	35	38.2 Å²	38.2	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-70	-42.1	177.9	-173.5	-91.8	0	0	0	112	F583 D608 L609 A614 E615 I760	F583-W611 HydrophobicContact CD1-CB 4.03Å; F583-W611 HydrophobicContact CD1-CD2 4.01Å; F583-W611 HydrophobicContact CD1-CE3 4.39Å; F583-W611 AromaticContact CD1-CG 3.85Å; F583-W611 HydrophobicContact CD1-CG 3.85Å; F583-W611 HydrophobicContact CD2-CD2 4.3Å; F583-W611 AromaticContact CD2-CE3 3.96Å; F583-W611 HydrophobicContact CD2-CE3 3.96Å; F583-W611 HydrophobicContact CD2-CZ3 4.18Å; F583-W611 HydrophobicContact CE1-CB 3.37Å; F583-W611 AromaticContact CE1-CD2 3.96Å; F583-W611 HydrophobicContact CE1-CD2 3.96Å; F583-W611 HydrophobicContact CE1-CE3 4.12Å; F583-W611 AromaticContact CE1-CG 3.66Å; F583-W611 HydrophobicContact CE1-CG 3.66Å; F583-W611 HydrophobicContact CE2-CD2 4.24Å; F583-W611 AromaticContact CE2-CE3 3.64Å; F583-W611 HydrophobicContact CE2-CE3 3.64Å; F583-W611 HydrophobicContact CE2-CZ3 4.1Å; F583-W611 HydrophobicContact CG-CD2 4.19Å; F583-W611 HydrophobicContact CG-CE3 4.31Å; F583-W611 HydrophobicContact CG-CG 4.49Å; F583-W611 HydrophobicContact CZ-CB 3.85Å; F583-W611 HydrophobicContact CZ-CD2 4.06Å; F583-W611 AromaticContact CZ-CE3 3.73Å; F583-W611 HydrophobicContact CZ-CE3 3.73Å; F583-W611 HydrophobicContact CZ-CG 4.15Å; D608-W611 PolarHBondContact O-N 3.07Å; L609-W611 VanDerWaalsContact C-N 3.27Å; L609-W611 PolarHBondContact O-N 2.95Å; W611-A614 PolarHBondContact O-N 3.25Å; W611-E615 PolarHBondContact O-N 3.14Å; W611-I760 HydrophobicContact CZ2-CD1 4.41Å; W611-I760 HydrophobicContact CZ2-CG2 4.41Å
612	M	98.7	Very high	97.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-40.9	176.1	-61.6	-168.1	-72.6	0	0	112.3	F545 L559 M575 L598 D608 L609 A616 I625	F545-M612 HydrophobicContact CB-CE 4.43Å; F545-M612 HydrophobicContact CD2-CE 3.51Å; F545-M612 HydrophobicContact CE2-CE 3.86Å; F545-M612 HydrophobicContact CG-CE 3.91Å; L559-M612 HydrophobicContact CD1-CB 4.18Å; L559-M612 HydrophobicContact CD1-CG 3.88Å; L559-M612 HydrophobicContact CD1-SD 4.5Å; M575-M612 HydrophobicContact CE-CG 4.02Å; M575-M612 HydrophobicContact SD-CG 3.61Å; M575-M612 HydrophobicContact SD-SD 4.21Å; L598-M612 HydrophobicContact CD1-CE 4.47Å; L598-M612 HydrophobicContact CD1-SD 3.94Å; D608-M612 WeakPolarHBondContact O-CG 3.36Å; D608-M612 PolarHBondContact O-N 3.33Å; L609-M612 HydrophobicContact CD1-CE 4.5Å; L609-M612 PolarHBondContact O-N 2.88Å; L609-M612 VanDerWaalsContact O-N 3.15Å; M612-A616 WeakPolarHBondContact O-CB 3.35Å; M612-A616 PolarHBondContact O-N 3.16Å; M612-I625 HydrophobicContact CB-CD1 4.26Å
613	E	98.6	Very high	97.8	Very high	59 Å²	59	41 Å²	41	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-39.3	175.6	-72.9	175.5	163.9	0	0	112.4	Q391 L609 A617	Q391-E613 VanDerWaalsContact NE2-CD 3.28Å; Q391-E613 PolarHBondContact NE2-OE1 2.86Å; Q391-E613 PolarHBondContact NE2-OE2 3.33Å; L609-E613 HydrophobicContact CD1-CG 4.07Å; L609-E613 HydrophobicContact CG-CG 4.24Å; L609-E613 WeakPolarHBondContact O-CB 3.41Å; L609-E613 WeakPolarHBondContact O-CG 3.35Å; L609-E613 PolarHBondContact O-N 2.96Å; E613-A617 WeakPolarHBondContact O-CB 3.3Å; E613-A617 PolarHBondContact O-N 3.03Å
614	A	97.1	Very high	97.8	Very high	39 Å²	39	41.3 Å²	41.3	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-54.5	178	0	0	0	0	0	112	R610 W611 A616 A617 E618	R610-A614 VanDerWaalsContact O-CB 3.31Å; R610-A614 WeakPolarHBondContact O-CB 3.24Å; R610-A614 PolarHBondContact O-N 3.33Å; W611-A614 PolarHBondContact O-N 3.25Å; A614-A616 VanDerWaalsContact C-N 3.31Å; A614-A616 PolarHBondContact O-N 3.12Å; A614-A617 PolarHBondContact O-N 3.25Å; A614-E618 WeakPolarHBondContact O-CB 3.21Å; A614-E618 WeakPolarHBondContact O-CG 3.13Å; A614-E618 PolarHBondContact O-N 3.28Å
615	E	98	Very high	97.8	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-36.5	177.5	173.4	66.9	-128.6	0	0	111.5	L555 R558 L559 W611 A617 G619 Y621 I760	L555-E615 HydrophobicContact CD1-CB 4.4Å; L555-E615 HydrophobicContact CD1-CG 3.76Å; R558-E615 WeakPolarHBondContact CD-OE1 3.36Å; R558-E615 IonicContact CZ-OE1 3.22Å; R558-E615 IonicContact CZ-OE2 2.7Å; R558-E615 IonicContact NE-OE1 3.98Å; R558-E615 PolarHBondContact NE-OE1 3.21Å; R558-E615 IonicContact NE-OE2 2.65Å; R558-E615 PolarHBondContact NE-OE2 2.96Å; R558-E615 VanDerWaalsContact NE-OE2 3.12Å; R558-E615 IonicContact NH2-OE1 2.55Å; R558-E615 IonicContact NH2-OE2 3.33Å; R558-E615 PolarHBondContact NH2-OE2 2.99Å; L559-E615 HydrophobicContact CD2-CB 3.93Å; L559-E615 HydrophobicContact CD2-CG 3.93Å; L559-E615 HydrophobicContact CG-CG 4.3Å; W611-E615 PolarHBondContact O-N 3.14Å; E615-A617 PolarHBondContact O-N 3.38Å; E615-G619 PolarHBondContact O-N 2.65Å; E615-Y621 HydrophobicContact CG-CE2 4.4Å; E615-Y621 WeakPolarHBondContact O-CD2 3.14Å; E615-Y621 WeakPolarHBondContact OE1-CE2 3.48Å; E615-I760 HydrophobicContact CG-CD1 4.35Å; E615-I760 WeakPolarHBondContact OE2-CD1 3.25Å
616	A	98	Very high	97.8	Very high	10 Å²	10	47.9 Å²	47.9	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-47.1	173.2	0	0	0	0	0	112.2	L555 M612 A614 R620 Y621 V623 I625	L555-A616 HydrophobicContact CD1-CB 4.45Å; L555-A616 HydrophobicContact CD2-CB 3.85Å; M612-A616 WeakPolarHBondContact O-CB 3.35Å; M612-A616 PolarHBondContact O-N 3.16Å; A614-A616 VanDerWaalsContact C-N 3.31Å; A614-A616 PolarHBondContact O-N 3.12Å; A616-R620 WeakPolarHBondContact O-CA 3.34Å; A616-R620 PolarHBondContact O-N 2.85Å; A616-R620 VanDerWaalsContact O-N 3.14Å; A616-Y621 PolarHBondContact O-N 3.41Å; A616-V623 HydrophobicContact CB-CG2 3.9Å; A616-I625 HydrophobicContact CB-CD1 3.99Å
617	A	95.3	Very high	97.8	Very high	40 Å²	40	49.1 Å²	49.1	33%	0.331	24%	0.244	S	C	.	.	H	α-helix	trans	-71.6	-42.7	-179.4	0	0	0	0	0	112.9	E613 A614 E615 R620	E613-A617 WeakPolarHBondContact O-CB 3.3Å; E613-A617 PolarHBondContact O-N 3.03Å; A614-A617 PolarHBondContact O-N 3.25Å; E615-A617 PolarHBondContact O-N 3.38Å; A617-R620 WeakPolarHBondContact O-CG 3.4Å; A617-R620 PolarHBondContact O-N 2.89Å
618	E	93.6	Very high	97.8	Very high	131 Å²	131	49.9 Å²	49.9	61%	0.612	25%	0.249	S	C	*	.	H	α-helix	trans	-73	-44.2	-176.8	-70.8	-179.5	-170.8	0	0	112.3	A614 R620	A614-E618 WeakPolarHBondContact O-CB 3.21Å; A614-E618 WeakPolarHBondContact O-CG 3.13Å; A614-E618 PolarHBondContact O-N 3.28Å; E618-R620 PolarHBondContact O-N 3Å
619	G	96.1	Very high	97.8	Very high	33 Å²	33	49.9 Å²	49.9	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.3	171.9	0	0	0	0	0	114.2	E615	E615-G619 PolarHBondContact O-N 2.65Å
620	R	95.9	Very high	97.8	Very high	219 Å²	219	51.9 Å²	51.9	83%	0.826	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	48.2	-179.4	-61.8	174.1	-70.5	171.7	-1.4	112.6	A616 A617 E618	A616-R620 WeakPolarHBondContact O-CA 3.34Å; A616-R620 PolarHBondContact O-N 2.85Å; A616-R620 VanDerWaalsContact O-N 3.14Å; A617-R620 WeakPolarHBondContact O-CG 3.4Å; A617-R620 PolarHBondContact O-N 2.89Å; E618-R620 PolarHBondContact O-N 3Å
621	Y	98.1	Very high	97.7	Very high	34 Å²	34	55.8 Å²	55.8	13%	0.133	28%	0.282	C	S	.	.			trans	-77.3	133.3	176.5	-64.6	-90.6	0	0	0	110.6	D551 K554 L555 R558 E615 A616 V623	D551-Y621 HydrophobicContact CB-CD1 3.99Å; K554-Y621 HydrophobicContact CB-CE1 4.35Å; K554-Y621 HydrophobicContact CD-CD1 4.04Å; K554-Y621 HydrophobicContact CD-CE1 3.68Å; K554-Y621 HydrophobicContact CG-CD1 4.49Å; K554-Y621 HydrophobicContact CG-CE1 3.88Å; L555-Y621 HydrophobicContact CB-CD1 3.85Å; L555-Y621 HydrophobicContact CB-CE1 4.23Å; L555-Y621 HydrophobicContact CB-CG 4.02Å; L555-Y621 HydrophobicContact CD1-CD2 3.85Å; L555-Y621 HydrophobicContact CD1-CE2 3.99Å; L555-Y621 HydrophobicContact CD1-CG 4.18Å; R558-Y621 WeakPolarHBondContact CD-OH 3.34Å; E615-Y621 HydrophobicContact CG-CE2 4.4Å; E615-Y621 WeakPolarHBondContact O-CD2 3.14Å; E615-Y621 WeakPolarHBondContact OE1-CE2 3.48Å; A616-Y621 PolarHBondContact O-N 3.41Å; Y621-V623 PolarHBondContact O-N 3.35Å; Y621-V623 VanDerWaalsContact O-N 3.16Å
622	D	97.9	Very high	97.7	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.444	29%	0.285	S	S	.	.			trans	-84.1	90.9	172.1	178.5	2.7	0	0	0	110.1	G549 K550 D551	G549-D622 CarbonylContact C-O 3.57Å; K550-D622 HydrophobicContact CD-CB 4.07Å; K550-D622 WeakPolarHBondContact CD-OD2 3.29Å; K550-D622 WeakPolarHBondContact CE-OD2 3.31Å; K550-D622 HydrophobicContact CG-CB 3.78Å; K550-D622 PolarHBondContact N-O 3.25Å; K550-D622 IonicContact NZ-OD2 3.2Å; K550-D622 PolarHBondContact NZ-OD2 3.48Å; D551-D622 PolarHBondContact N-O 3.38Å; D551-D622 VanDerWaalsContact N-O 3.15Å; D551-D622 PolarHBondContact OD2-N 3.48Å; D551-D622 VanDerWaalsContact OD2-N 3.12Å
623	V	98.4	Very high	97.7	Very high	29 Å²	29	55.6 Å²	55.6	18%	0.176	29%	0.285	C	S	.	.			trans	-136.6	152.6	-178.8	-68.7	0	0	0	0	111.7	K548 D551 L555 A616 Y621 I625	K548-V623 CarbonylContact O-C 3.53Å; K548-V623 VanDerWaalsContact O-CA 3.23Å; K548-V623 WeakPolarHBondContact O-CA 3.18Å; K548-V623 WeakPolarHBondContact O-CB 2.79Å; D551-V623 HydrophobicContact CB-CG1 4.18Å; L555-V623 HydrophobicContact CB-CG1 4.45Å; L555-V623 HydrophobicContact CD2-CB 4.36Å; L555-V623 HydrophobicContact CD2-CG1 4.02Å; L555-V623 HydrophobicContact CD2-CG2 3.74Å; A616-V623 HydrophobicContact CB-CG2 3.9Å; Y621-V623 PolarHBondContact O-N 3.35Å; Y621-V623 VanDerWaalsContact O-N 3.16Å; V623-I625 HydrophobicContact CB-CG1 4.49Å; V623-I625 HydrophobicContact CG2-CD1 4.25Å; V623-I625 HydrophobicContact CG2-CG1 4.03Å
624	D	98.3	Very high	97.7	Very high	49 Å²	49	52.8 Å²	52.8	26%	0.262	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.6	171.2	177.9	0.9	0	0	0	106.6	K548 R626	K548-D624 WeakPolarHBondContact CE-OD2 3.36Å; K548-D624 HydrophobicContact CG-CB 3.93Å; K548-D624 PolarHBondContact N-O 3.34Å; K548-D624 VanDerWaalsContact N-O 3.07Å; K548-D624 IonicContact NZ-OD2 2.69Å; K548-D624 PolarHBondContact NZ-OD2 2.9Å; K548-D624 PolarHBondContact O-N 2.93Å; D624-R626 VanDerWaalsContact CG-NE 3.31Å; D624-R626 WeakPolarHBondContact OD1-CG 3.4Å; D624-R626 IonicContact OD1-CZ 3.32Å; D624-R626 IonicContact OD1-NE 3.58Å; D624-R626 PolarHBondContact OD1-NE 3.11Å; D624-R626 IonicContact OD1-NH2 2.97Å; D624-R626 IonicContact OD2-CZ 2.71Å; D624-R626 VanDerWaalsContact OD2-CZ 3.25Å; D624-R626 IonicContact OD2-NE 2.81Å; D624-R626 PolarHBondContact OD2-NE 3.43Å; D624-R626 IonicContact OD2-NH2 2.63Å; D624-R626 PolarHBondContact OD2-NH2 3.22Å
625	I	98.6	Very high	97.8	Very high	32 Å²	32	51 Å²	51	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.1	177.5	-52.7	-174.9	0	0	0	107.4	V547 L555 L609 M612 A616 V623	V547-I625 HydrophobicContact CG2-CB 4.31Å; V547-I625 HydrophobicContact CG2-CG1 4.06Å; V547-I625 HydrophobicContact CG2-CG2 3.96Å; L555-I625 HydrophobicContact CD2-CD1 4.22Å; L609-I625 HydrophobicContact CD1-CG2 3.66Å; M612-I625 HydrophobicContact CB-CD1 4.26Å; A616-I625 HydrophobicContact CB-CD1 3.99Å; V623-I625 HydrophobicContact CB-CG1 4.49Å; V623-I625 HydrophobicContact CG2-CD1 4.25Å; V623-I625 HydrophobicContact CG2-CG1 4.03Å
626	R	98.5	Very high	97.9	Very high	127 Å²	127	50 Å²	50	48%	0.479	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.9	-179.7	-55.7	-171.3	-174.7	-157.7	-1.3	110.9	F545 I546 D624 V628	F545-R626 CarbonylContact C-O 3.19Å; F545-R626 VanDerWaalsContact CA-O 3.24Å; F545-R626 WeakPolarHBondContact CA-O 3.26Å; I546-R626 PolarHBondContact N-O 3.2Å; I546-R626 PolarHBondContact O-N 2.55Å; D624-R626 VanDerWaalsContact CG-NE 3.31Å; D624-R626 WeakPolarHBondContact OD1-CG 3.4Å; D624-R626 IonicContact OD1-CZ 3.32Å; D624-R626 IonicContact OD1-NE 3.58Å; D624-R626 PolarHBondContact OD1-NE 3.11Å; D624-R626 IonicContact OD1-NH2 2.97Å; D624-R626 IonicContact OD2-CZ 2.71Å; D624-R626 VanDerWaalsContact OD2-CZ 3.25Å; D624-R626 IonicContact OD2-NE 2.81Å; D624-R626 PolarHBondContact OD2-NE 3.43Å; D624-R626 IonicContact OD2-NH2 2.63Å; D624-R626 PolarHBondContact OD2-NH2 3.22Å; R626-V628 HydrophobicContact CB-CG1 4.29Å; R626-V628 PolarHBondContact O-N 2.87Å
627	N	98.8	Very high	97.9	Very high	52 Å²	52	49.5 Å²	49.5	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.6	162.9	-173.7	-8	0	0	0	109.1	K544 F545 E605 L609 T629	K544-N627 PolarHBondContact O-OD1 3.01Å; F545-N627 HydrophobicContact CD1-CB 4.16Å; F545-N627 HydrophobicContact CE1-CB 4.5Å; E605-N627 PolarHBondContact OE1-ND2 3Å; L609-N627 HydrophobicContact CD2-CB 3.98Å; N627-T629 WeakPolarHBondContact OD1-CB 3.41Å; N627-T629 PolarHBondContact OD1-N 2.87Å; N627-T629 PolarHBondContact OD1-OG1 3.02Å
628	V	98.6	Very high	98.1	Very high	23 Å²	23	47.6 Å²	47.6	14%	0.139	23%	0.233	C	C	.	.			trans	-123.7	21.1	178.5	-60	0	0	0	0	111.3	K544 I546 R626 D630 D631 V632	K544-V628 HydrophobicContact CB-CG2 4.04Å; K544-V628 PolarHBondContact O-N 2.85Å; I546-V628 HydrophobicContact CG1-CG1 4.12Å; I546-V628 HydrophobicContact CG1-CG2 3.97Å; R626-V628 HydrophobicContact CB-CG1 4.29Å; R626-V628 PolarHBondContact O-N 2.87Å; V628-D630 PolarHBondContact O-N 2.96Å; V628-D631 PolarHBondContact O-N 3.13Å; V628-V632 HydrophobicContact CB-CG2 4.31Å; V628-V632 HydrophobicContact CG2-CG2 4.19Å; V628-V632 PolarHBondContact O-N 3.24Å
629	T	98.8	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-45.6	-175	-60.4	0	0	0	0	112.4	W495 F542 G543 K544 E605 N627	W495-T629 HydrophobicContact CZ2-CG2 4.13Å; F542-T629 WeakPolarHBondContact O-CG2 3.4Å; G543-T629 WeakPolarHBondContact CA-OG1 3.39Å; K544-T629 PolarHBondContact N-OG1 3.19Å; K544-T629 PolarHBondContact O-OG1 2.84Å; E605-T629 HydrophobicContact CG-CG2 4.45Å; E605-T629 WeakPolarHBondContact OE1-CB 3.43Å; E605-T629 PolarHBondContact OE1-OG1 2.89Å; N627-T629 WeakPolarHBondContact OD1-CB 3.41Å; N627-T629 PolarHBondContact OD1-N 2.87Å; N627-T629 PolarHBondContact OD1-OG1 3.02Å
630	D	98.3	Very high	98.4	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-36.1	-177.4	-58.9	-34.9	0	0	0	111.8	K439 R475 V628 Q693	K439-D630 IonicContact NZ-OD2 2.67Å; K439-D630 PolarHBondContact NZ-OD2 2.83Å; R475-D630 IonicContact CZ-OD1 3.73Å; R475-D630 VanDerWaalsContact CZ-OD1 3.25Å; R475-D630 IonicContact NE-OD1 3.15Å; R475-D630 PolarHBondContact NE-OD1 2.91Å; R475-D630 IonicContact NH2-OD1 3.57Å; R475-D630 PolarHBondContact NH2-OD1 3.35Å; V628-D630 PolarHBondContact O-N 2.96Å; D630-Q693 VanDerWaalsContact O-CG 3.24Å; D630-Q693 WeakPolarHBondContact O-CG 3.45Å; D630-Q693 PolarHBondContact O-NE2 3.48Å
631	D	98	Very high	98.6	Very high	104 Å²	104	34.6 Å²	34.6	56%	0.556	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.8	-172.8	-54.7	-52	0	0	0	114.1	V628 Q693	V628-D631 PolarHBondContact O-N 3.13Å; D631-Q693 WeakPolarHBondContact O-CG 3.38Å; D631-Q693 PolarHBondContact O-N 3.46Å; D631-Q693 VanDerWaalsContact O-N 3.11Å
632	V	98.6	Very high	98.6	Very high	32 Å²	32	33 Å²	33	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115	-169.1	177.4	0	0	0	0	110.8	K544 V628 V634 Y690 M691	K544-V632 HydrophobicContact CD-CB 3.99Å; K544-V632 HydrophobicContact CD-CG1 3.93Å; K544-V632 WeakPolarHBondContact CE-O 3.24Å; V628-V632 HydrophobicContact CB-CG2 4.31Å; V628-V632 HydrophobicContact CG2-CG2 4.19Å; V628-V632 PolarHBondContact O-N 3.24Å; V632-V634 HydrophobicContact CG1-CG2 4.36Å; V632-Y690 HydrophobicContact CG1-CD1 4.24Å; V632-M691 CarbonylContact C-O 3.56Å; V632-M691 VanDerWaalsContact CA-O 3.31Å; V632-M691 WeakPolarHBondContact CA-O 3.47Å
633	G	98.6	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	149.6	166	0	0	0	0	0	111.6	M691	G633-M691 PolarHBondContact N-O 3.36Å; G633-M691 PolarHBondContact O-N 2.8Å
634	V	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.1	177.8	-166.1	0	0	0	0	110.8	L539 T540 K544 V632 E688 L689 Y690	L539-V634 CarbonylContact C-O 3.56Å; L539-V634 HydrophobicContact CB-CB 4.13Å; L539-V634 HydrophobicContact CB-CG1 4.06Å; L539-V634 PolarHBondContact N-O 3.1Å; T540-V634 PolarHBondContact N-O 3.12Å; T540-V634 VanDerWaalsContact N-O 3.16Å; T540-V634 PolarHBondContact OG1-N 2.96Å; T540-V634 PolarHBondContact OG1-O 3.19Å; K544-V634 HydrophobicContact CD-CG2 3.96Å; V632-V634 HydrophobicContact CG1-CG2 4.36Å; V634-E688 HydrophobicContact CG1-CB 4.41Å; V634-L689 WeakPolarHBondContact CA-O 3.4Å; V634-Y690 HydrophobicContact CB-CD1 4.41Å; V634-Y690 HydrophobicContact CB-CE1 4.5Å; V634-Y690 HydrophobicContact CG1-CD1 4.03Å; V634-Y690 HydrophobicContact CG1-CD2 4.24Å; V634-Y690 HydrophobicContact CG1-CE1 3.92Å; V634-Y690 HydrophobicContact CG1-CE2 4.11Å; V634-Y690 HydrophobicContact CG1-CG 4.17Å; V634-Y690 HydrophobicContact CG2-CD1 3.49Å; V634-Y690 VanDerWaalsContact CG2-CD1 3.49Å; V634-Y690 HydrophobicContact CG2-CE1 3.69Å; V634-Y690 HydrophobicContact CG2-CG 4.2Å
635	L	98.9	Very high	98.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.6	170.5	-64.9	168.6	0	0	0	109.8	V479 V536 L689 M691 L696 M703	V479-L635 HydrophobicContact CG1-CD2 4.45Å; V479-L635 HydrophobicContact CG2-CD2 4.45Å; V536-L635 HydrophobicContact CG1-CD2 4.38Å; L635-L689 PolarHBondContact N-O 3.28Å; L635-L689 VanDerWaalsContact N-O 3.1Å; L635-L689 WeakPolarHBondContact O-CB 3.36Å; L635-L689 PolarHBondContact O-N 3.15Å; L635-M691 HydrophobicContact CD1-CE 4.31Å; L635-L696 HydrophobicContact CD1-CD1 3.94Å; L635-L696 HydrophobicContact CD1-CG 4.26Å; L635-L696 HydrophobicContact CD2-CD1 4.38Å; L635-L696 HydrophobicContact CD2-CG 4.41Å; L635-L696 HydrophobicContact CG-CD1 3.69Å; L635-L696 HydrophobicContact CG-CG 4.17Å; L635-M703 HydrophobicContact CB-CE 4.06Å; L635-M703 HydrophobicContact CD1-CE 3.52Å; L635-M703 HydrophobicContact CG-CE 4.39Å
636	G	98.9	Very high	98.6	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.8	166.1	0	0	0	0	0	109.9	V536 I537	V536-G636 WeakPolarHBondContact CA-O 3.14Å; I537-G636 PolarHBondContact N-O 3.23Å; I537-G636 PolarHBondContact O-N 2.83Å
637	I	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122	169.2	-174	173.2	0	0	0	109.2	V534 G535 V536 V645 L646 G686 W687 L689 M703 I712	V534-I637 HydrophobicContact CG2-CD1 3.83Å; V534-I637 HydrophobicContact CG2-CG1 3.56Å; G535-I637 WeakPolarHBondContact O-CA 3.32Å; V536-I637 HydrophobicContact CG2-CD1 4.45Å; V536-I637 HydrophobicContact CG2-CG1 4.27Å; I637-V645 HydrophobicContact CD1-CB 4.2Å; I637-V645 HydrophobicContact CD1-CG1 4.15Å; I637-L646 HydrophobicContact CD1-CD2 4.27Å; I637-L646 HydrophobicContact CD1-CG 4.34Å; I637-L646 HydrophobicContact CG2-CD1 3.79Å; I637-L646 HydrophobicContact CG2-CD2 4.17Å; I637-L646 HydrophobicContact CG2-CG 4.16Å; I637-G686 CarbonylContact O-C 2.95Å; I637-G686 WeakPolarHBondContact O-CA 3.47Å; I637-W687 HydrophobicContact CG2-CB 4.43Å; I637-W687 PolarHBondContact N-O 2.69Å; I637-W687 PolarHBondContact O-N 2.73Å; I637-L689 HydrophobicContact CG2-CD1 4Å; I637-M703 HydrophobicContact CD1-SD 4.11Å; I637-I712 HydrophobicContact CD1-CD1 4.17Å
638	A	98.9	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.8	-167.6	0	0	0	0	0	112.8	V530 V534 G535 T682 L685 F715	V530-A638 HydrophobicContact CG1-CB 4Å; V534-A638 CarbonylContact C-O 3.55Å; V534-A638 VanDerWaalsContact CA-O 3.29Å; V534-A638 WeakPolarHBondContact CA-O 3.23Å; G535-A638 PolarHBondContact N-O 3.21Å; G535-A638 PolarHBondContact O-N 2.94Å; A638-T682 HydrophobicContact CB-CG2 4.1Å; A638-L685 CarbonylContact C-O 3.54Å; A638-L685 WeakPolarHBondContact CA-O 3.24Å; A638-F715 HydrophobicContact CB-CE1 4.45Å; A638-F715 HydrophobicContact CB-CZ 4.25Å
639	G	98.7	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	121.1	165.2	-179.8	0	0	0	0	0	113.2	V530 K533 N641 S642 L685	V530-G639 WeakPolarHBondContact O-CA 3.38Å; K533-G639 CarbonylContact O-C 3.57Å; K533-G639 VanDerWaalsContact O-C 3.3Å; G639-N641 PolarHBondContact O-N 2.88Å; G639-N641 VanDerWaalsContact O-N 3.11Å; G639-S642 WeakPolarHBondContact O-CB 3.41Å; G639-S642 PolarHBondContact O-N 2.75Å; G639-S642 PolarHBondContact O-OG 3.49Å; G639-L685 PolarHBondContact N-O 2.84Å
640	P	98.3	Very high	98.6	Very high	62 Å²	62	32.9 Å²	32.9	40%	0.403	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.5	-172.7	20.8	-33.4	0	0	0	114.7	V530 K533	V530-P640 WeakPolarHBondContact O-CD 3.37Å; K533-P640 WeakPolarHBondContact O-CD 3.2Å; K533-P640 WeakPolarHBondContact O-CG 3.34Å; K533-P640 VanDerWaalsContact O-N 3.13Å
641	N	98.7	Very high	98.6	Very high	48 Å²	48	38.7 Å²	38.7	26%	0.257	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.7	179.9	-70.2	-24.4	0	0	0	114.3	K533 V534 G639 R643 K644 V645 E710	K533-N641 WeakPolarHBondContact O-CB 3.41Å; K533-N641 PolarHBondContact O-N 3.11Å; V534-N641 HydrophobicContact CB-CB 3.92Å; V534-N641 HydrophobicContact CG1-CB 3.74Å; G639-N641 PolarHBondContact O-N 2.88Å; G639-N641 VanDerWaalsContact O-N 3.11Å; N641-R643 VanDerWaalsContact C-N 3.31Å; N641-R643 PolarHBondContact O-N 3.13Å; N641-K644 WeakPolarHBondContact O-CA 3.47Å; N641-K644 WeakPolarHBondContact O-CB 3.33Å; N641-K644 PolarHBondContact O-N 3.45Å; N641-V645 PolarHBondContact O-N 3.32Å; N641-V645 VanDerWaalsContact O-N 3.09Å; N641-E710 HydrophobicContact CB-CB 3.89Å; N641-E710 HydrophobicContact CB-CG 3.98Å; N641-E710 PolarHBondContact ND2-O 2.87Å
642	S	98.7	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-52.8	-44.2	-174.6	60.1	0	0	0	0	113.5	G639 K644 V645 L646 L685	G639-S642 WeakPolarHBondContact O-CB 3.41Å; G639-S642 PolarHBondContact O-N 2.75Å; G639-S642 PolarHBondContact O-OG 3.49Å; S642-K644 VanDerWaalsContact C-N 3.35Å; S642-K644 PolarHBondContact O-N 2.89Å; S642-V645 PolarHBondContact O-N 2.93Å; S642-L646 PolarHBondContact O-N 2.94Å; S642-L685 WeakPolarHBondContact OG-CG 3.47Å; S642-L685 PolarHBondContact OG-O 3.37Å
643	R	98.5	Very high	98.5	Very high	58 Å²	58	38.1 Å²	38.1	22%	0.219	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-43.6	173	177.3	-179	-71.5	117.9	1.2	112.7	N641 V645 L646 Q647 M654 L685 W687	N641-R643 VanDerWaalsContact C-N 3.31Å; N641-R643 PolarHBondContact O-N 3.13Å; R643-V645 VanDerWaalsContact C-N 3.3Å; R643-V645 PolarHBondContact O-N 3.47Å; R643-L646 PolarHBondContact O-N 3.3Å; R643-Q647 WeakPolarHBondContact O-CB 3.45Å; R643-Q647 PolarHBondContact O-N 2.82Å; R643-M654 WeakPolarHBondContact CD-O 3.42Å; R643-M654 HydrophobicContact CG-CB 4.18Å; R643-M654 PolarHBondContact NE-O 2.82Å; R643-L685 HydrophobicContact CB-CD2 3.98Å; R643-L685 VanDerWaalsContact NH1-CD2 3.3Å; R643-W687 HydrophobicContact CB-CH2 3.88Å; R643-W687 HydrophobicContact CB-CZ3 3.97Å; R643-W687 HydrophobicContact CG-CH2 4.27Å
644	K	98.6	Very high	98.5	Very high	117 Å²	117	38.1 Å²	38.1	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-67.5	-32.6	-177.9	-170.1	-177	177.7	-134.5	0	111.3	N641 S642 K648 E710	N641-K644 WeakPolarHBondContact O-CA 3.47Å; N641-K644 WeakPolarHBondContact O-CB 3.33Å; N641-K644 PolarHBondContact O-N 3.45Å; S642-K644 VanDerWaalsContact C-N 3.35Å; S642-K644 PolarHBondContact O-N 2.89Å; K644-K648 WeakPolarHBondContact O-CG 3.48Å; K644-E710 HydrophobicContact CB-CG 4.43Å; K644-E710 HydrophobicContact CD-CG 3.86Å; K644-E710 WeakPolarHBondContact CD-OE1 3.23Å; K644-E710 WeakPolarHBondContact CE-OE1 3.25Å; K644-E710 HydrophobicContact CG-CG 4.28Å; K644-E710 IonicContact NZ-OE1 3.28Å; K644-E710 PolarHBondContact NZ-OE1 3.36Å
645	V	98.8	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.8	-53.8	172.7	-177.7	0	0	0	0	110.9	V534 I637 N641 S642 R643 Q647 K648 A706 E710 I712	V534-V645 HydrophobicContact CG1-CG2 3.92Å; V534-V645 HydrophobicContact CG2-CG2 4.33Å; I637-V645 HydrophobicContact CD1-CB 4.2Å; I637-V645 HydrophobicContact CD1-CG1 4.15Å; N641-V645 PolarHBondContact O-N 3.32Å; N641-V645 VanDerWaalsContact O-N 3.09Å; S642-V645 PolarHBondContact O-N 2.93Å; R643-V645 VanDerWaalsContact C-N 3.3Å; R643-V645 PolarHBondContact O-N 3.47Å; V645-Q647 VanDerWaalsContact C-N 3.32Å; V645-Q647 PolarHBondContact O-N 2.68Å; V645-K648 WeakPolarHBondContact O-CB 3.35Å; V645-K648 PolarHBondContact O-N 3.46Å; V645-K648 VanDerWaalsContact O-N 3.13Å; V645-A706 HydrophobicContact CG1-CB 4.33Å; V645-E710 HydrophobicContact CG2-CB 4.14Å; V645-E710 HydrophobicContact CG2-CG 4.12Å; V645-I712 HydrophobicContact CG1-CD1 4.14Å; V645-I712 HydrophobicContact CG2-CD1 4.45Å
646	L	98.6	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-37.3	-175.7	-68.3	-179.7	0	0	0	113	I637 S642 R643 K648 L649 T650 M654 L669 W687 L689 M703	I637-L646 HydrophobicContact CD1-CD2 4.27Å; I637-L646 HydrophobicContact CD1-CG 4.34Å; I637-L646 HydrophobicContact CG2-CD1 3.79Å; I637-L646 HydrophobicContact CG2-CD2 4.17Å; I637-L646 HydrophobicContact CG2-CG 4.16Å; S642-L646 PolarHBondContact O-N 2.94Å; R643-L646 PolarHBondContact O-N 3.3Å; L646-K648 PolarHBondContact O-N 2.81Å; L646-L649 PolarHBondContact O-N 3.44Å; L646-T650 PolarHBondContact O-N 2.81Å; L646-M654 HydrophobicContact CB-CE 3.95Å; L646-M654 HydrophobicContact CB-CG 4.5Å; L646-M654 HydrophobicContact CD1-CE 3.55Å; L646-M654 HydrophobicContact CG-CE 4.4Å; L646-L669 HydrophobicContact CD2-CD1 3.98Å; L646-L669 HydrophobicContact CD2-CD2 4.06Å; L646-W687 HydrophobicContact CD1-CB 4.13Å; L646-W687 HydrophobicContact CD1-CD2 3.87Å; L646-W687 HydrophobicContact CD1-CE3 3.7Å; L646-W687 HydrophobicContact CD1-CG 4.08Å; L646-W687 HydrophobicContact CD1-CZ3 4.39Å; L646-L689 HydrophobicContact CD2-CD1 4.06Å; L646-M703 HydrophobicContact CD2-CG 4.41Å; L646-M703 HydrophobicContact CD2-SD 3.82Å
647	Q	98.6	Very high	97.7	Very high	74 Å²	74	44.1 Å²	44.1	35%	0.346	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	179.1	-162.9	67.9	81.5	0	0	113.6	R643 V645 L649 T650 E652	R643-Q647 WeakPolarHBondContact O-CB 3.45Å; R643-Q647 PolarHBondContact O-N 2.82Å; V645-Q647 VanDerWaalsContact C-N 3.32Å; V645-Q647 PolarHBondContact O-N 2.68Å; Q647-L649 PolarHBondContact O-N 3.39Å; Q647-T650 PolarHBondContact NE2-O 3.3Å; Q647-E652 PolarHBondContact NE2-O 3.24Å; Q647-E652 PolarHBondContact OE1-O 3.37Å
648	K	98.6	Very high	97.6	Very high	94 Å²	94	44.8 Å²	44.8	41%	0.409	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.1	171.4	-63.2	175.4	-173.7	-178.2	0	113.1	K644 V645 L646 A706 D709 E710	K644-K648 WeakPolarHBondContact O-CG 3.48Å; V645-K648 WeakPolarHBondContact O-CB 3.35Å; V645-K648 PolarHBondContact O-N 3.46Å; V645-K648 VanDerWaalsContact O-N 3.13Å; L646-K648 PolarHBondContact O-N 2.81Å; K648-A706 HydrophobicContact CB-CB 4.31Å; K648-A706 HydrophobicContact CD-CB 4.26Å; K648-A706 VanDerWaalsContact CD-O 3.27Å; K648-A706 WeakPolarHBondContact CD-O 3.16Å; K648-A706 PolarHBondContact NZ-O 2.85Å; K648-D709 IonicContact NZ-OD2 2.68Å; K648-E710 WeakPolarHBondContact CE-OE1 3.15Å; K648-E710 IonicContact NZ-OE1 2.83Å; K648-E710 PolarHBondContact NZ-OE1 3.16Å; K648-E710 IonicContact NZ-OE2 3.73Å; K648-E710 PolarHBondContact NZ-OE2 2.71Å
649	L	98.6	Very high	97.5	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.194	24%	0.243	C	C	.	.	S	Bend	trans	-122.5	-0.3	-169	-65.4	177.1	0	0	0	113.6	L646 Q647 L669 A670 A702 M703 A706	L646-L649 PolarHBondContact O-N 3.44Å; Q647-L649 PolarHBondContact O-N 3.39Å; L649-L669 HydrophobicContact CB-CD1 3.58Å; L649-L669 HydrophobicContact CB-CG 4.34Å; L649-L669 WeakPolarHBondContact O-CA 3.33Å; L649-A670 HydrophobicContact CD2-CB 4.27Å; L649-A670 PolarHBondContact O-N 3.29Å; L649-A702 HydrophobicContact CD1-CB 4.38Å; L649-A702 HydrophobicContact CD2-CB 4.4Å; L649-M703 HydrophobicContact CD1-CB 4.43Å; L649-M703 HydrophobicContact CD1-CG 3.87Å; L649-A706 HydrophobicContact CD1-CB 3.87Å; L649-A706 HydrophobicContact CD2-CB 3.95Å; L649-A706 HydrophobicContact CG-CB 3.86Å
650	T	98.5	Very high	97.5	Very high	13 Å²	13	50 Å²	50	8%	0.08	27%	0.266	C	S	.	.			trans	-148.7	145.6	179.1	-165.4	0	0	0	0	111.6	L646 Q647 E652 M654 Q668 L669	L646-T650 PolarHBondContact O-N 2.81Å; Q647-T650 PolarHBondContact NE2-O 3.3Å; T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 HydrophobicContact CG2-CB 4.08Å; T650-E652 PolarHBondContact OG1-N 3.34Å; T650-M654 HydrophobicContact CG2-CG 3.78Å; T650-M654 HydrophobicContact CG2-SD 4.02Å; T650-Q668 WeakPolarHBondContact CB-O 3.38Å; T650-Q668 PolarHBondContact OG1-O 3.17Å; T650-L669 HydrophobicContact CG2-CD1 4.46Å
651	D	97	Very high	97.5	Very high	168 Å²	168	51.5 Å²	51.5	90%	0.898	27%	0.266	S	S	*	.	S	Bend	trans	-81.4	-8.4	172.7	-55.6	-63.6	0	0	0	112.8
652	E	97.6	Very high	97.4	Very high	51 Å²	51	51.3 Å²	51.3	24%	0.238	27%	0.265	C	S	.	.	S	Bend	trans	-66.8	139.8	176.5	-177.7	66.2	-150.7	0	0	111.3	Q647 T650 M654 F659 R665 I667	Q647-E652 PolarHBondContact NE2-O 3.24Å; Q647-E652 PolarHBondContact OE1-O 3.37Å; T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 HydrophobicContact CG2-CB 4.08Å; T650-E652 PolarHBondContact OG1-N 3.34Å; E652-M654 HydrophobicContact CB-SD 4.49Å; E652-M654 HydrophobicContact CG-SD 4.34Å; E652-M654 PolarHBondContact O-N 3.23Å; E652-F659 HydrophobicContact CG-CD1 4.47Å; E652-R665 WeakPolarHBondContact OE1-CD 3.13Å; E652-R665 IonicContact OE1-CZ 3.55Å; E652-R665 IonicContact OE1-NE 2.7Å; E652-R665 PolarHBondContact OE1-NE 2.67Å; E652-R665 IonicContact OE1-NH1 3.73Å; E652-R665 PolarHBondContact OE1-NH1 3.01Å; E652-R665 IonicContact OE1-NH2 3.93Å; E652-I667 HydrophobicContact CB-CB 4.46Å; E652-I667 HydrophobicContact CB-CG2 3.98Å; E652-I667 HydrophobicContact CG-CG2 3.74Å
653	D	97.7	Very high	97.4	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	28%	0.275	S	S	.	.			trans	-70	98.1	175.6	175.6	25.3	0	0	0	111.7	S655 G658 F659	D653-S655 PolarHBondContact O-N 3.23Å; D653-S655 WeakPolarHBondContact OD1-CA 3.1Å; D653-S655 WeakPolarHBondContact OD1-CB 3.48Å; D653-S655 PolarHBondContact OD1-N 2.98Å; D653-S655 PolarHBondContact OD1-OG 3.46Å; D653-S655 PolarHBondContact OD2-OG 3.33Å; D653-G658 WeakPolarHBondContact OD2-CA 3.29Å; D653-G658 PolarHBondContact OD2-N 3.22Å; D653-G658 VanDerWaalsContact OD2-N 3.11Å; D653-F659 PolarHBondContact O-N 2.66Å
654	M	97.7	Very high	97.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.			trans	-79.7	2.9	177.4	-57.2	-59.7	-80.6	0	0	112.9	R643 L646 T650 E652 F659 W687	R643-M654 WeakPolarHBondContact CD-O 3.42Å; R643-M654 HydrophobicContact CG-CB 4.18Å; R643-M654 PolarHBondContact NE-O 2.82Å; L646-M654 HydrophobicContact CB-CE 3.95Å; L646-M654 HydrophobicContact CB-CG 4.5Å; L646-M654 HydrophobicContact CD1-CE 3.55Å; L646-M654 HydrophobicContact CG-CE 4.4Å; T650-M654 HydrophobicContact CG2-CG 3.78Å; T650-M654 HydrophobicContact CG2-SD 4.02Å; E652-M654 HydrophobicContact CB-SD 4.49Å; E652-M654 HydrophobicContact CG-SD 4.34Å; E652-M654 PolarHBondContact O-N 3.23Å; M654-F659 HydrophobicContact CE-CD1 4.18Å; M654-F659 HydrophobicContact CE-CE1 4.38Å; M654-F659 HydrophobicContact SD-CD1 3.59Å; M654-F659 VanDerWaalsContact SD-CD1 3.59Å; M654-F659 HydrophobicContact SD-CE1 4.06Å; M654-W687 HydrophobicContact CB-CH2 4.5Å; M654-W687 HydrophobicContact CB-CZ2 4.33Å; M654-W687 HydrophobicContact CE-CD2 3.9Å; M654-W687 VanDerWaalsContact CE-CE2 3.47Å; M654-W687 HydrophobicContact CE-CG 4.23Å; M654-W687 HydrophobicContact CE-CH2 4.43Å; M654-W687 HydrophobicContact CE-CZ2 3.78Å
655	S	96.2	Very high	97.4	Very high	39 Å²	39	49.9 Å²	49.9	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-59.8	166	178	81.1	0	0	0	0	112.9	D653 G657 G658 F659	D653-S655 PolarHBondContact O-N 3.23Å; D653-S655 WeakPolarHBondContact OD1-CA 3.1Å; D653-S655 WeakPolarHBondContact OD1-CB 3.48Å; D653-S655 PolarHBondContact OD1-N 2.98Å; D653-S655 PolarHBondContact OD1-OG 3.46Å; D653-S655 PolarHBondContact OD2-OG 3.33Å; S655-G657 PolarHBondContact O-N 3.09Å; S655-G657 PolarHBondContact OG-N 3.37Å; S655-G657 VanDerWaalsContact OG-N 3.12Å; S655-G658 PolarHBondContact OG-N 3.36Å; S655-G658 VanDerWaalsContact OG-N 3.15Å; S655-F659 CarbonylContact O-C 3.3Å; S655-F659 WeakPolarHBondContact O-CA 3.46Å; S655-F659 PolarHBondContact O-N 3.18Å
656	D	92.6	Very high	97.4	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.214	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.6	172.8	-167.7	69.6	0	0	0	113.1	R678 K864	D656-R678 IonicContact OD1-CZ 2.66Å; D656-R678 VanDerWaalsContact OD1-CZ 3.26Å; D656-R678 IonicContact OD1-NH1 3Å; D656-R678 PolarHBondContact OD1-NH1 2.85Å; D656-R678 IonicContact OD1-NH2 3.79Å; D656-R678 PolarHBondContact OD1-NH2 3.32Å; D656-K864 WeakPolarHBondContact OD2-CE 3.31Å; D656-K864 IonicContact OD2-NZ 3.36Å; D656-K864 PolarHBondContact OD2-NZ 3.26Å
657	G	93.1	Very high	97.3	Very high	51 Å²	51	56 Å²	56	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-55.9	174.2	0	0	0	0	0	112.2	S655 K660	S655-G657 PolarHBondContact O-N 3.09Å; S655-G657 PolarHBondContact OG-N 3.37Å; S655-G657 VanDerWaalsContact OG-N 3.12Å; G657-K660 VanDerWaalsContact O-CE 3.3Å; G657-K660 WeakPolarHBondContact O-CE 3.44Å
658	G	94.7	Very high	97.3	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-55.9	177.2	0	0	0	0	0	112.8	D653 S655 R665	D653-G658 WeakPolarHBondContact OD2-CA 3.29Å; D653-G658 PolarHBondContact OD2-N 3.22Å; D653-G658 VanDerWaalsContact OD2-N 3.11Å; S655-G658 PolarHBondContact OG-N 3.36Å; S655-G658 VanDerWaalsContact OG-N 3.15Å; G658-R665 PolarHBondContact O-NH2 3.32Å
659	F	97.8	Very high	97.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-104.8	84.2	-174.8	-141.3	131.7	0	0	0	111.8	E652 D653 M654 S655 H663 R665 I667 A676 R678 W687	E652-F659 HydrophobicContact CG-CD1 4.47Å; D653-F659 PolarHBondContact O-N 2.66Å; M654-F659 HydrophobicContact CE-CD1 4.18Å; M654-F659 HydrophobicContact CE-CE1 4.38Å; M654-F659 HydrophobicContact SD-CD1 3.59Å; M654-F659 VanDerWaalsContact SD-CD1 3.59Å; M654-F659 HydrophobicContact SD-CE1 4.06Å; S655-F659 CarbonylContact O-C 3.3Å; S655-F659 WeakPolarHBondContact O-CA 3.46Å; S655-F659 PolarHBondContact O-N 3.18Å; F659-H663 HydrophobicContact CD2-CB 4.35Å; F659-H663 HydrophobicContact CE2-CB 4.25Å; F659-H663 WeakPolarHBondContact CE2-O 3.45Å; F659-R665 HydrophobicContact CE1-CB 3.82Å; F659-R665 HydrophobicContact CE1-CG 3.91Å; F659-R665 HydrophobicContact CE2-CG 4.38Å; F659-R665 HydrophobicContact CZ-CB 3.79Å; F659-R665 HydrophobicContact CZ-CG 3.83Å; F659-I667 HydrophobicContact CE1-CG2 4.38Å; F659-A676 HydrophobicContact CE1-CB 4.12Å; F659-A676 HydrophobicContact CZ-CB 3.93Å; F659-A676 WeakPolarHBondContact CZ-O 3.4Å; F659-R678 HydrophobicContact CD2-CB 3.77Å; F659-R678 HydrophobicContact CE2-CB 3.89Å; F659-R678 WeakPolarHBondContact O-CD 3.29Å; F659-R678 PolarHBondContact O-NH1 2.67Å; F659-W687 HydrophobicContact CB-CZ2 4.18Å; F659-W687 AromaticContact CD1-NE1 3.65Å; F659-W687 AromaticContact CD2-NE1 3.43Å; F659-W687 AromaticContact CE1-NE1 3.71Å; F659-W687 AromaticContact CE2-CD1 3.95Å; F659-W687 AromaticContact CE2-NE1 3.5Å; F659-W687 HydrophobicContact CG-CZ2 4.28Å; F659-W687 AromaticContact CG-NE1 3.52Å; F659-W687 AromaticContact CZ-CD1 3.91Å; F659-W687 AromaticContact CZ-NE1 3.64Å
660	K	97.9	Very high	97.2	Very high	112 Å²	112	53.4 Å²	53.4	49%	0.487	29%	0.289	S	S	.	.			trans	-70.6	154.3	179.2	-67.4	169.3	-173.4	168.8	0	112.2	G657 H663	G657-K660 VanDerWaalsContact O-CE 3.3Å; G657-K660 WeakPolarHBondContact O-CE 3.44Å; K660-H663 WeakPolarHBondContact O-CB 3.27Å; K660-H663 PolarHBondContact O-N 2.91Å
661	F	98.3	Very high	97.2	Very high	93 Å²	93	55.8 Å²	55.8	41%	0.408	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	140.4	172.5	175.3	-119.6	0	0	0	111	H663 R678 P857	F661-H663 PolarHBondContact O-N 3.31Å; F661-R678 VanDerWaalsContact CD2-O 3.26Å; F661-R678 WeakPolarHBondContact CD2-O 3.21Å; F661-P857 HydrophobicContact CB-CB 4.24Å; F661-P857 HydrophobicContact CB-CG 4.06Å; F661-P857 HydrophobicContact CD1-CB 3.74Å; F661-P857 HydrophobicContact CD1-CG 3.74Å; F661-P857 HydrophobicContact CD2-CB 4.37Å; F661-P857 HydrophobicContact CD2-CG 3.49Å; F661-P857 VanDerWaalsContact CD2-CG 3.49Å; F661-P857 HydrophobicContact CE1-CB 4.14Å; F661-P857 HydrophobicContact CE1-CG 3.99Å; F661-P857 HydrophobicContact CE2-CG 3.77Å; F661-P857 HydrophobicContact CG-CB 3.87Å; F661-P857 HydrophobicContact CG-CG 3.48Å; F661-P857 VanDerWaalsContact CG-CG 3.48Å; F661-P857 HydrophobicContact CZ-CG 4.01Å
662	L	98.4	Very high	97.2	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.225	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	24.7	-174.6	-62.5	176.4	0	0	0	115.1	Q569 T570 R678 I679	Q569-L662 CarbonylContact C-O 3.57Å; Q569-L662 WeakPolarHBondContact CA-O 3.42Å; T570-L662 HydrophobicContact CG2-CD2 4.16Å; T570-L662 PolarHBondContact N-O 3.18Å; T570-L662 WeakPolarHBondContact O-CB 3.33Å; L662-R678 PolarHBondContact N-O 2.64Å; L662-I679 HydrophobicContact CD2-CB 4.34Å; L662-I679 HydrophobicContact CD2-CD1 3.73Å; L662-I679 HydrophobicContact CD2-CG1 4.07Å
663	H	98.6	Very high	97.3	Very high	47 Å²	47	50.3 Å²	50.3	22%	0.218	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-91.2	155.6	159.6	-79.5	-125.2	0	0	0	110.8	G568 Q569 F659 K660 F661 I677 R678	G568-H663 CarbonylContact O-C 3.52Å; G568-H663 WeakPolarHBondContact O-CA 3.3Å; Q569-H663 PolarHBondContact NE2-NE2 3.2Å; F659-H663 HydrophobicContact CD2-CB 4.35Å; F659-H663 HydrophobicContact CE2-CB 4.25Å; F659-H663 WeakPolarHBondContact CE2-O 3.45Å; K660-H663 WeakPolarHBondContact O-CB 3.27Å; K660-H663 PolarHBondContact O-N 2.91Å; F661-H663 PolarHBondContact O-N 3.31Å; H663-I677 WeakPolarHBondContact O-CA 3.25Å; H663-R678 PolarHBondContact O-N 2.87Å
664	C	98.5	Very high	97.3	Very high	11 Å²	11	47 Å²	47	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.9	171.6	173.1	0	0	0	0	109.1	G568 T589 A676 I677	G568-C664 PolarHBondContact O-N 2.77Å; T589-C664 HydrophobicContact CG2-CB 3.43Å; T589-C664 VanDerWaalsContact CG2-CB 3.43Å; C664-A676 WeakPolarHBondContact CA-O 3.25Å; C664-I677 HydrophobicContact CB-CG1 4.1Å
665	R	97.9	Very high	97.3	Very high	88 Å²	88	49.9 Å²	49.9	33%	0.332	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146	173.1	-62.5	-173.6	179.9	-130.4	12	110.1	E652 G658 F659 I667 A676	E652-R665 WeakPolarHBondContact OE1-CD 3.13Å; E652-R665 IonicContact OE1-CZ 3.55Å; E652-R665 IonicContact OE1-NE 2.7Å; E652-R665 PolarHBondContact OE1-NE 2.67Å; E652-R665 IonicContact OE1-NH1 3.73Å; E652-R665 PolarHBondContact OE1-NH1 3.01Å; E652-R665 IonicContact OE1-NH2 3.93Å; G658-R665 PolarHBondContact O-NH2 3.32Å; F659-R665 HydrophobicContact CE1-CB 3.82Å; F659-R665 HydrophobicContact CE1-CG 3.91Å; F659-R665 HydrophobicContact CE2-CG 4.38Å; F659-R665 HydrophobicContact CZ-CB 3.79Å; F659-R665 HydrophobicContact CZ-CG 3.83Å; R665-I667 HydrophobicContact CB-CG2 4Å; R665-A676 PolarHBondContact N-O 2.81Å; R665-A676 PolarHBondContact O-N 2.88Å
666	N	97.9	Very high	97.5	Very high	119 Å²	119	48 Å²	48	64%	0.636	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	128	161.3	-57.6	-32.2	0	0	0	107.1	V674 R675	N666-V674 WeakPolarHBondContact CA-O 3.06Å; N666-R675 PolarHBondContact OD1-NE 3.04Å
667	I	98.1	Very high	97.8	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.4	-176.3	66.1	170.1	0	0	0	110.1	E652 F659 R665 L669 V674 A676	E652-I667 HydrophobicContact CB-CB 4.46Å; E652-I667 HydrophobicContact CB-CG2 3.98Å; E652-I667 HydrophobicContact CG-CG2 3.74Å; F659-I667 HydrophobicContact CE1-CG2 4.38Å; R665-I667 HydrophobicContact CB-CG2 4Å; I667-L669 HydrophobicContact CD1-CB 4.17Å; I667-L669 HydrophobicContact CD1-CD1 4.39Å; I667-L669 HydrophobicContact CG1-CB 4.37Å; I667-V674 HydrophobicContact CG1-CB 4.23Å; I667-V674 WeakPolarHBondContact CG1-O 3.36Å; I667-V674 PolarHBondContact N-O 2.96Å; I667-V674 PolarHBondContact O-N 2.75Å; I667-A676 HydrophobicContact CD1-CB 3.83Å; I667-A676 HydrophobicContact CG1-CB 4.17Å
668	Q	98.3	Very high	98	Very high	104 Å²	104	43.8 Å²	43.8	49%	0.486	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	163.7	-69.2	-66.4	101.7	0	0	108.3	T650 G671 V672 P673	T650-Q668 WeakPolarHBondContact CB-O 3.38Å; T650-Q668 PolarHBondContact OG1-O 3.17Å; Q668-G671 PolarHBondContact NE2-O 2.94Å; Q668-G671 VanDerWaalsContact NE2-O 3.11Å; Q668-V672 WeakPolarHBondContact CA-O 3.48Å; Q668-P673 VanDerWaalsContact OE1-CA 3.23Å
669	L	98.3	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.6	-179.9	-173.1	71.5	0	0	0	109.1	L646 L649 T650 I667 G671 V672 V674 L689 V699	L646-L669 HydrophobicContact CD2-CD1 3.98Å; L646-L669 HydrophobicContact CD2-CD2 4.06Å; L649-L669 HydrophobicContact CB-CD1 3.58Å; L649-L669 HydrophobicContact CB-CG 4.34Å; L649-L669 WeakPolarHBondContact O-CA 3.33Å; T650-L669 HydrophobicContact CG2-CD1 4.46Å; I667-L669 HydrophobicContact CD1-CB 4.17Å; I667-L669 HydrophobicContact CD1-CD1 4.39Å; I667-L669 HydrophobicContact CG1-CB 4.37Å; L669-G671 PolarHBondContact O-N 3.23Å; L669-V672 PolarHBondContact N-O 3.34Å; L669-V672 WeakPolarHBondContact O-CB 3.48Å; L669-V672 PolarHBondContact O-N 3.12Å; L669-V674 HydrophobicContact CB-CB 4.17Å; L669-V674 HydrophobicContact CB-CG2 3.89Å; L669-V674 HydrophobicContact CD2-CG1 4.5Å; L669-V674 HydrophobicContact CD2-CG2 4.34Å; L669-L689 HydrophobicContact CD2-CD1 3.86Å; L669-L689 HydrophobicContact CD2-CD2 4.41Å; L669-V699 HydrophobicContact CD2-CG1 3.82Å; L669-V699 HydrophobicContact CG-CG1 4.46Å
670	A	97.1	Very high	98.3	Very high	48 Å²	48	44.9 Å²	44.9	40%	0.397	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	33.6	-172.1	0	0	0	0	0	113.5	L649 V672 A702	L649-A670 HydrophobicContact CD2-CB 4.27Å; L649-A670 PolarHBondContact O-N 3.29Å; A670-V672 VanDerWaalsContact C-N 3.28Å; A670-V672 PolarHBondContact O-N 3.03Å; A670-A702 HydrophobicContact CB-CB 3.62Å
671	G	96.7	Very high	98.3	Very high	62 Å²	62	42.9 Å²	42.9	64%	0.639	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-9.2	-175.6	0	0	0	0	0	115.5	Q668 L669	Q668-G671 PolarHBondContact NE2-O 2.94Å; Q668-G671 VanDerWaalsContact NE2-O 3.11Å; L669-G671 PolarHBondContact O-N 3.23Å
672	V	98.3	Very high	98.3	Very high	19 Å²	19	38.5 Å²	38.5	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.1	-179.9	173.9	0	0	0	0	110.9	Q668 L669 A670 V674 N695 V699	Q668-V672 WeakPolarHBondContact CA-O 3.48Å; L669-V672 PolarHBondContact N-O 3.34Å; L669-V672 WeakPolarHBondContact O-CB 3.48Å; L669-V672 PolarHBondContact O-N 3.12Å; A670-V672 VanDerWaalsContact C-N 3.28Å; A670-V672 PolarHBondContact O-N 3.03Å; V672-V674 HydrophobicContact CB-CG2 4.36Å; V672-V674 HydrophobicContact CG1-CG2 3.94Å; V672-V674 PolarHBondContact O-N 2.66Å; V672-N695 HydrophobicContact CG1-CB 3.66Å; V672-N695 HydrophobicContact CG2-CB 4.2Å; V672-V699 HydrophobicContact CB-CG2 3.71Å; V672-V699 HydrophobicContact CG1-CG2 3.86Å; V672-V699 HydrophobicContact CG2-CG2 3.73Å
673	P	98.3	Very high	98.3	Very high	86 Å²	86	36.7 Å²	36.7	56%	0.558	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	116.1	168.6	28.4	-33.7	0	0	0	110.5	Q668	Q668-P673 VanDerWaalsContact OE1-CA 3.23Å
674	V	98.6	Very high	98.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.8	-178.5	175.6	0	0	0	0	109.5	N666 I667 L669 V672 L689 M691 V699	N666-V674 WeakPolarHBondContact CA-O 3.06Å; I667-V674 HydrophobicContact CG1-CB 4.23Å; I667-V674 WeakPolarHBondContact CG1-O 3.36Å; I667-V674 PolarHBondContact N-O 2.96Å; I667-V674 PolarHBondContact O-N 2.75Å; L669-V674 HydrophobicContact CB-CB 4.17Å; L669-V674 HydrophobicContact CB-CG2 3.89Å; L669-V674 HydrophobicContact CD2-CG1 4.5Å; L669-V674 HydrophobicContact CD2-CG2 4.34Å; V672-V674 HydrophobicContact CB-CG2 4.36Å; V672-V674 HydrophobicContact CG1-CG2 3.94Å; V672-V674 PolarHBondContact O-N 2.66Å; V674-L689 HydrophobicContact CG1-CB 3.81Å; V674-L689 HydrophobicContact CG1-CD2 4.05Å; V674-L689 HydrophobicContact CG1-CG 4.49Å; V674-M691 HydrophobicContact CG1-CE 4.25Å; V674-M691 HydrophobicContact CG2-CB 4.23Å; V674-M691 HydrophobicContact CG2-CE 4.15Å; V674-M691 HydrophobicContact CG2-SD 4.3Å; V674-V699 HydrophobicContact CG2-CG2 4.47Å
675	R	98.6	Very high	98.3	Very high	61 Å²	61	34.8 Å²	34.8	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.4	167	177.8	-178.9	-60.6	148.8	1	108.7	N666 Y690	N666-R675 PolarHBondContact OD1-NE 3.04Å; R675-Y690 PolarHBondContact N-O 2.85Å; R675-Y690 PolarHBondContact O-N 3.02Å
676	A	98.8	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.8	178.9	0	0	0	0	0	110.5	F659 C664 R665 I667 E688 L689	F659-A676 HydrophobicContact CE1-CB 4.12Å; F659-A676 HydrophobicContact CZ-CB 3.93Å; F659-A676 WeakPolarHBondContact CZ-O 3.4Å; C664-A676 WeakPolarHBondContact CA-O 3.25Å; R665-A676 PolarHBondContact N-O 2.81Å; R665-A676 PolarHBondContact O-N 2.88Å; I667-A676 HydrophobicContact CD1-CB 3.83Å; I667-A676 HydrophobicContact CG1-CB 4.17Å; A676-E688 WeakPolarHBondContact CA-O 3.15Å; A676-L689 HydrophobicContact CB-CD2 3.75Å
677	I	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125	172	-54	-176.5	0	0	0	107.9	T570 T589 L597 H663 C664 I679 W687 E688 Y690	T570-I677 HydrophobicContact CG2-CG2 4.06Å; T570-I677 WeakPolarHBondContact OG1-CG2 3.31Å; T589-I677 HydrophobicContact CG2-CD1 4.29Å; L597-I677 HydrophobicContact CD2-CD1 4.4Å; H663-I677 WeakPolarHBondContact O-CA 3.25Å; C664-I677 HydrophobicContact CB-CG1 4.1Å; I677-I679 VanDerWaalsContact C-N 3.3Å; I677-I679 HydrophobicContact CB-CG2 4.15Å; I677-I679 HydrophobicContact CG2-CB 4.17Å; I677-I679 HydrophobicContact CG2-CG2 3.67Å; I677-I679 PolarHBondContact O-N 3.41Å; I677-W687 CarbonylContact O-C 3.52Å; I677-W687 WeakPolarHBondContact O-CA 3.32Å; I677-E688 PolarHBondContact N-O 3.4Å; I677-E688 PolarHBondContact O-N 3.28Å; I677-Y690 HydrophobicContact CD1-CD2 4.13Å; I677-Y690 HydrophobicContact CD1-CE2 3.63Å; I677-Y690 HydrophobicContact CG1-CD2 4.26Å; I677-Y690 HydrophobicContact CG1-CE2 4.03Å
678	R	98.8	Very high	98.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	15%	0.151	C	C	.	.			trans	-80.4	81.6	177.5	-169.4	179.4	159.1	-161	-6	110.6	D656 F659 F661 L662 H663 G686 W687 E856	D656-R678 IonicContact OD1-CZ 2.66Å; D656-R678 VanDerWaalsContact OD1-CZ 3.26Å; D656-R678 IonicContact OD1-NH1 3Å; D656-R678 PolarHBondContact OD1-NH1 2.85Å; D656-R678 IonicContact OD1-NH2 3.79Å; D656-R678 PolarHBondContact OD1-NH2 3.32Å; F659-R678 HydrophobicContact CD2-CB 3.77Å; F659-R678 HydrophobicContact CE2-CB 3.89Å; F659-R678 WeakPolarHBondContact O-CD 3.29Å; F659-R678 PolarHBondContact O-NH1 2.67Å; F661-R678 VanDerWaalsContact CD2-O 3.26Å; F661-R678 WeakPolarHBondContact CD2-O 3.21Å; L662-R678 PolarHBondContact N-O 2.64Å; H663-R678 PolarHBondContact O-N 2.87Å; R678-G686 WeakPolarHBondContact CG-O 3.31Å; R678-W687 HydrophobicContact CB-CD2 4.47Å; R678-W687 HydrophobicContact CB-CG 4.38Å; R678-W687 HydrophobicContact CG-CD2 4.19Å; R678-W687 HydrophobicContact CG-CZ2 4.1Å; R678-E856 IonicContact CZ-OE2 3.73Å; R678-E856 IonicContact NH2-OE1 3.48Å; R678-E856 PolarHBondContact NH2-OE1 3.04Å; R678-E856 IonicContact NH2-OE2 3.43Å; R678-E856 PolarHBondContact NH2-OE2 2.91Å
679	I	98.8	Very high	98.4	Very high	19 Å²	19	20.3 Å²	20.3	10%	0.097	13%	0.128	C	C	.	.			trans	-146.3	157.1	177.3	-165.4	172.1	0	0	0	108.7	I572 T587 L662 I677 G686 E688	I572-I679 HydrophobicContact CD1-CD1 4.08Å; T587-I679 HydrophobicContact CG2-CD1 4.46Å; L662-I679 HydrophobicContact CD2-CB 4.34Å; L662-I679 HydrophobicContact CD2-CD1 3.73Å; L662-I679 HydrophobicContact CD2-CG1 4.07Å; I677-I679 VanDerWaalsContact C-N 3.3Å; I677-I679 HydrophobicContact CB-CG2 4.15Å; I677-I679 HydrophobicContact CG2-CB 4.17Å; I677-I679 HydrophobicContact CG2-CG2 3.67Å; I677-I679 PolarHBondContact O-N 3.41Å; I679-G686 PolarHBondContact N-O 3.32Å; I679-G686 CarbonylContact O-C 3.44Å; I679-E688 HydrophobicContact CG2-CB 4.24Å; I679-E688 VanDerWaalsContact CG2-CD 3.46Å; I679-E688 HydrophobicContact CG2-CG 3.92Å
680	S	98.6	Very high	98.4	Very high	18 Å²	18	20.7 Å²	20.7	13%	0.126	13%	0.129	C	C	.	.			trans	-159	133.3	166	-175.7	0	0	0	0	110.1	T682 G683	S680-T682 PolarHBondContact O-N 3.39Å; S680-T682 PolarHBondContact OG-N 2.95Å; S680-T682 PolarHBondContact OG-OG1 2.87Å; S680-G683 PolarHBondContact O-N 3.33Å
681	Y	98.4	Very high	98.5	Very high	70 Å²	70	18.7 Å²	18.7	28%	0.275	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.5	174.8	-161.7	-126.7	0	0	0	113.3	G683 M720 R724 F729 R730 G731	Y681-G683 PolarHBondContact O-N 2.9Å; Y681-M720 HydrophobicContact CD1-CE 4.47Å; Y681-M720 HydrophobicContact CD1-CG 3.99Å; Y681-M720 HydrophobicContact CD1-SD 4.03Å; Y681-R724 HydrophobicContact CD1-CB 3.78Å; Y681-R724 HydrophobicContact CD1-CG 4.04Å; Y681-R724 HydrophobicContact CE1-CB 3.66Å; Y681-R724 HydrophobicContact CE1-CG 3.49Å; Y681-R724 VanDerWaalsContact CE1-CG 3.49Å; Y681-R724 HydrophobicContact CE2-CB 4.45Å; Y681-R724 HydrophobicContact CG-CB 4.24Å; Y681-R724 VanDerWaalsContact O-CB 3.26Å; Y681-R724 WeakPolarHBondContact O-CB 3.34Å; Y681-F729 HydrophobicContact CD2-CB 4.43Å; Y681-F729 AromaticContact CD2-CD2 3.79Å; Y681-F729 HydrophobicContact CD2-CD2 3.79Å; Y681-F729 HydrophobicContact CE2-CB 3.87Å; Y681-F729 HydrophobicContact CE2-CD2 4.09Å; Y681-F729 HydrophobicContact CE2-CG 4.43Å; Y681-F729 HydrophobicContact CG-CD2 4.46Å; Y681-F729 WeakPolarHBondContact O-CD2 3.43Å; Y681-F729 WeakPolarHBondContact O-CE2 3.39Å; Y681-R730 PolarHBondContact OH-O 2.88Å; Y681-G731 WeakPolarHBondContact OH-CA 3.32Å
682	T	98.6	Very high	98.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.3	168	68.6	0	0	0	0	113.2	V530 A638 S680 E684 F715 L723 K727	V530-T682 HydrophobicContact CG1-CG2 4.08Å; A638-T682 HydrophobicContact CB-CG2 4.1Å; S680-T682 PolarHBondContact O-N 3.39Å; S680-T682 PolarHBondContact OG-N 2.95Å; S680-T682 PolarHBondContact OG-OG1 2.87Å; T682-E684 PolarHBondContact O-N 3.03Å; T682-E684 PolarHBondContact OG1-N 3.21Å; T682-F715 HydrophobicContact CG2-CE2 3.77Å; T682-F715 HydrophobicContact CG2-CZ 3.8Å; T682-L723 HydrophobicContact CG2-CD1 3.93Å; T682-K727 VanDerWaalsContact O-CE 3.29Å; T682-K727 WeakPolarHBondContact O-CE 3.38Å; T682-K727 VanDerWaalsContact O-CG 3.23Å; T682-K727 WeakPolarHBondContact O-CG 3.44Å; T682-K727 PolarHBondContact O-NZ 3.38Å
683	G	97.7	Very high	98.5	Very high	5 Å²	5	19.3 Å²	19.3	5%	0.052	10%	0.099	C	C	.	.			trans	63.1	8	-172	0	0	0	0	0	115.8	S680 Y681 T855 E856	S680-G683 PolarHBondContact O-N 3.33Å; Y681-G683 PolarHBondContact O-N 2.9Å; G683-T855 CarbonylContact O-C 3.53Å; G683-T855 VanDerWaalsContact O-CA 3.29Å; G683-T855 WeakPolarHBondContact O-CA 3.29Å; G683-T855 WeakPolarHBondContact O-CB 3.4Å; G683-E856 PolarHBondContact O-N 3.23Å
684	E	98.6	Very high	98.4	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.042	11%	0.106	C	C	.	.	S	Bend	trans	-84.8	175.4	168.3	-66.5	-52.2	126.5	0	0	111.7	V530 M531 T682 G686 K727 R859	V530-E684 HydrophobicContact CG1-CB 4.41Å; V530-E684 HydrophobicContact CG1-CG 4.3Å; M531-E684 VanDerWaalsContact SD-CD 3.59Å; M531-E684 HydrophobicContact SD-CG 3.59Å; M531-E684 VanDerWaalsContact SD-CG 3.59Å; T682-E684 PolarHBondContact O-N 3.03Å; T682-E684 PolarHBondContact OG1-N 3.21Å; E684-G686 PolarHBondContact O-N 2.85Å; E684-K727 WeakPolarHBondContact OE1-CE 3.3Å; E684-K727 IonicContact OE1-NZ 2.79Å; E684-K727 PolarHBondContact OE1-NZ 3.45Å; E684-R859 IonicContact OE1-CZ 3.72Å; E684-R859 IonicContact OE1-NH1 2.79Å; E684-R859 PolarHBondContact OE1-NH1 3.09Å; E684-R859 IonicContact OE1-NH2 3.73Å; E684-R859 IonicContact OE2-CZ 3.41Å; E684-R859 IonicContact OE2-NH1 3.24Å; E684-R859 PolarHBondContact OE2-NH1 2.98Å; E684-R859 IonicContact OE2-NH2 2.66Å; E684-R859 PolarHBondContact OE2-NH2 2.79Å
685	L	98.8	Very high	98.3	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.042	11%	0.114	C	C	.	.	S	Bend	trans	-62	119.9	173.7	177.4	65.2	0	0	0	109.5	A638 G639 S642 R643 W687 E856	A638-L685 CarbonylContact C-O 3.54Å; A638-L685 WeakPolarHBondContact CA-O 3.24Å; G639-L685 PolarHBondContact N-O 2.84Å; S642-L685 WeakPolarHBondContact OG-CG 3.47Å; S642-L685 PolarHBondContact OG-O 3.37Å; R643-L685 HydrophobicContact CB-CD2 3.98Å; R643-L685 VanDerWaalsContact NH1-CD2 3.3Å; L685-W687 HydrophobicContact CD1-CH2 4.09Å; L685-W687 HydrophobicContact CD1-CZ3 4.01Å; L685-W687 HydrophobicContact CG-CZ3 4.11Å; L685-E856 HydrophobicContact CB-CB 4.45Å; L685-E856 HydrophobicContact CB-CG 3.98Å; L685-E856 WeakPolarHBondContact CD1-OE2 3.42Å
686	G	98.6	Very high	98.3	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	173.4	178.5	0	0	0	0	0	114.3	I637 R678 I679 E684	I637-G686 CarbonylContact O-C 2.95Å; I637-G686 WeakPolarHBondContact O-CA 3.47Å; R678-G686 WeakPolarHBondContact CG-O 3.31Å; I679-G686 PolarHBondContact N-O 3.32Å; I679-G686 CarbonylContact O-C 3.44Å; E684-G686 PolarHBondContact O-N 2.85Å
687	W	98.9	Very high	98.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147	172.8	-72.1	-105.8	0	0	0	110.1	I637 R643 L646 M654 F659 I677 R678 L685 L689	I637-W687 HydrophobicContact CG2-CB 4.43Å; I637-W687 PolarHBondContact N-O 2.69Å; I637-W687 PolarHBondContact O-N 2.73Å; R643-W687 HydrophobicContact CB-CH2 3.88Å; R643-W687 HydrophobicContact CB-CZ3 3.97Å; R643-W687 HydrophobicContact CG-CH2 4.27Å; L646-W687 HydrophobicContact CD1-CB 4.13Å; L646-W687 HydrophobicContact CD1-CD2 3.87Å; L646-W687 HydrophobicContact CD1-CE3 3.7Å; L646-W687 HydrophobicContact CD1-CG 4.08Å; L646-W687 HydrophobicContact CD1-CZ3 4.39Å; M654-W687 HydrophobicContact CB-CH2 4.5Å; M654-W687 HydrophobicContact CB-CZ2 4.33Å; M654-W687 HydrophobicContact CE-CD2 3.9Å; M654-W687 VanDerWaalsContact CE-CE2 3.47Å; M654-W687 HydrophobicContact CE-CG 4.23Å; M654-W687 HydrophobicContact CE-CH2 4.43Å; M654-W687 HydrophobicContact CE-CZ2 3.78Å; F659-W687 HydrophobicContact CB-CZ2 4.18Å; F659-W687 AromaticContact CD1-NE1 3.65Å; F659-W687 AromaticContact CD2-NE1 3.43Å; F659-W687 AromaticContact CE1-NE1 3.71Å; F659-W687 AromaticContact CE2-CD1 3.95Å; F659-W687 AromaticContact CE2-NE1 3.5Å; F659-W687 HydrophobicContact CG-CZ2 4.28Å; F659-W687 AromaticContact CG-NE1 3.52Å; F659-W687 AromaticContact CZ-CD1 3.91Å; F659-W687 AromaticContact CZ-NE1 3.64Å; I677-W687 CarbonylContact O-C 3.52Å; I677-W687 WeakPolarHBondContact O-CA 3.32Å; R678-W687 HydrophobicContact CB-CD2 4.47Å; R678-W687 HydrophobicContact CB-CG 4.38Å; R678-W687 HydrophobicContact CG-CD2 4.19Å; R678-W687 HydrophobicContact CG-CZ2 4.1Å; L685-W687 HydrophobicContact CD1-CH2 4.09Å; L685-W687 HydrophobicContact CD1-CZ3 4.01Å; L685-W687 HydrophobicContact CG-CZ3 4.11Å; W687-L689 HydrophobicContact CB-CD2 3.98Å
688	E	98.9	Very high	98.3	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.056	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.8	162.7	-69.7	171.2	-166	0	0	108.7	L539 V634 A676 I677 I679 Y690	L539-E688 HydrophobicContact CD1-CG 4.04Å; V634-E688 HydrophobicContact CG1-CB 4.41Å; A676-E688 WeakPolarHBondContact CA-O 3.15Å; I677-E688 PolarHBondContact N-O 3.4Å; I677-E688 PolarHBondContact O-N 3.28Å; I679-E688 HydrophobicContact CG2-CB 4.24Å; I679-E688 VanDerWaalsContact CG2-CD 3.46Å; I679-E688 HydrophobicContact CG2-CG 3.92Å; E688-Y690 HydrophobicContact CB-CD2 4.3Å; E688-Y690 HydrophobicContact CB-CE2 3.51Å; E688-Y690 PolarHBondContact OE2-OH 3.37Å
689	L	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	99.3	-167.4	-57.7	176.6	0	0	0	109.1	V634 L635 I637 L646 L669 V674 A676 W687 M691 M703	V634-L689 WeakPolarHBondContact CA-O 3.4Å; L635-L689 PolarHBondContact N-O 3.28Å; L635-L689 VanDerWaalsContact N-O 3.1Å; L635-L689 WeakPolarHBondContact O-CB 3.36Å; L635-L689 PolarHBondContact O-N 3.15Å; I637-L689 HydrophobicContact CG2-CD1 4Å; L646-L689 HydrophobicContact CD2-CD1 4.06Å; L669-L689 HydrophobicContact CD2-CD1 3.86Å; L669-L689 HydrophobicContact CD2-CD2 4.41Å; V674-L689 HydrophobicContact CG1-CB 3.81Å; V674-L689 HydrophobicContact CG1-CD2 4.05Å; V674-L689 HydrophobicContact CG1-CG 4.49Å; A676-L689 HydrophobicContact CB-CD2 3.75Å; W687-L689 HydrophobicContact CB-CD2 3.98Å; L689-M691 HydrophobicContact CB-CE 3.88Å; L689-M691 VanDerWaalsContact O-CE 3.27Å; L689-M691 WeakPolarHBondContact O-CE 3.45Å; L689-M703 HydrophobicContact CD1-CE 4.07Å; L689-M703 HydrophobicContact CD1-SD 3.49Å; L689-M703 WeakPolarHBondContact CD1-SD 3.45Å
690	Y	98.9	Very high	98.3	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.8	-176.3	-61.7	-105.5	0	0	0	109.8	K544 L597 V599 V632 V634 R675 I677 E688	K544-Y690 HydrophobicContact CD-CD1 4.32Å; K544-Y690 HydrophobicContact CD-CE1 4.39Å; L597-Y690 HydrophobicContact CD2-CD1 4.17Å; L597-Y690 HydrophobicContact CD2-CE1 4.28Å; L597-Y690 HydrophobicContact CD2-CG 4.46Å; V599-Y690 HydrophobicContact CG1-CE1 4.38Å; V599-Y690 HydrophobicContact CG2-CE1 3.85Å; V632-Y690 HydrophobicContact CG1-CD1 4.24Å; V634-Y690 HydrophobicContact CB-CD1 4.41Å; V634-Y690 HydrophobicContact CB-CE1 4.5Å; V634-Y690 HydrophobicContact CG1-CD1 4.03Å; V634-Y690 HydrophobicContact CG1-CD2 4.24Å; V634-Y690 HydrophobicContact CG1-CE1 3.92Å; V634-Y690 HydrophobicContact CG1-CE2 4.11Å; V634-Y690 HydrophobicContact CG1-CG 4.17Å; V634-Y690 HydrophobicContact CG2-CD1 3.49Å; V634-Y690 VanDerWaalsContact CG2-CD1 3.49Å; V634-Y690 HydrophobicContact CG2-CE1 3.69Å; V634-Y690 HydrophobicContact CG2-CG 4.2Å; R675-Y690 PolarHBondContact N-O 2.85Å; R675-Y690 PolarHBondContact O-N 3.02Å; I677-Y690 HydrophobicContact CD1-CD2 4.13Å; I677-Y690 HydrophobicContact CD1-CE2 3.63Å; I677-Y690 HydrophobicContact CG1-CD2 4.26Å; I677-Y690 HydrophobicContact CG1-CE2 4.03Å; E688-Y690 HydrophobicContact CB-CD2 4.3Å; E688-Y690 HydrophobicContact CB-CE2 3.51Å; E688-Y690 PolarHBondContact OE2-OH 3.37Å
691	M	98.6	Very high	98.3	Very high	7 Å²	7	29.7 Å²	29.7	3%	0.034	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	166.2	-177.4	68.3	-161	82.4	0	0	111.8	V632 G633 L635 V674 L689 Q693 L696 V699	V632-M691 CarbonylContact C-O 3.56Å; V632-M691 VanDerWaalsContact CA-O 3.31Å; V632-M691 WeakPolarHBondContact CA-O 3.47Å; G633-M691 PolarHBondContact N-O 3.36Å; G633-M691 PolarHBondContact O-N 2.8Å; L635-M691 HydrophobicContact CD1-CE 4.31Å; V674-M691 HydrophobicContact CG1-CE 4.25Å; V674-M691 HydrophobicContact CG2-CB 4.23Å; V674-M691 HydrophobicContact CG2-CE 4.15Å; V674-M691 HydrophobicContact CG2-SD 4.3Å; L689-M691 HydrophobicContact CB-CE 3.88Å; L689-M691 VanDerWaalsContact O-CE 3.27Å; L689-M691 WeakPolarHBondContact O-CE 3.45Å; M691-Q693 PolarHBondContact O-N 2.87Å; M691-L696 HydrophobicContact CE-CD1 3.95Å; M691-L696 HydrophobicContact CG-CD1 3.8Å; M691-L696 HydrophobicContact SD-CD1 3.76Å; M691-V699 HydrophobicContact CE-CB 4.23Å; M691-V699 HydrophobicContact CE-CG1 3.94Å; M691-V699 HydrophobicContact SD-CB 3.72Å; M691-V699 HydrophobicContact SD-CG1 4.08Å; M691-V699 HydrophobicContact SD-CG2 3.64Å
692	D	98.1	Very high	98.3	Very high	65 Å²	65	27.5 Å²	27.5	35%	0.348	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	129.8	168.3	-178.7	-42.7	0	0	0	110.6	K694 N695	D692-K694 PolarHBondContact O-N 3.49Å; D692-K694 VanDerWaalsContact OD1-CD 3.26Å; D692-K694 WeakPolarHBondContact OD1-CD 3.34Å; D692-K694 WeakPolarHBondContact OD1-CG 3.35Å; D692-K694 PolarHBondContact OD1-N 3.17Å; D692-K694 IonicContact OD1-NZ 2.87Å; D692-K694 WeakPolarHBondContact OD2-CE 3.22Å; D692-K694 IonicContact OD2-NZ 3.65Å; D692-K694 PolarHBondContact OD2-NZ 2.91Å; D692-N695 PolarHBondContact O-N 2.92Å
693	Q	95.5	Very high	98.3	Very high	29 Å²	29	27.5 Å²	27.5	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-45.1	-40.2	-178.5	-75.4	-83.9	20.8	0	0	113.9	T540 D630 D631 M691 N695 L696	T540-Q693 VanDerWaalsContact CG2-NE2 3.26Å; D630-Q693 VanDerWaalsContact O-CG 3.24Å; D630-Q693 WeakPolarHBondContact O-CG 3.45Å; D630-Q693 PolarHBondContact O-NE2 3.48Å; D631-Q693 WeakPolarHBondContact O-CG 3.38Å; D631-Q693 PolarHBondContact O-N 3.46Å; D631-Q693 VanDerWaalsContact O-N 3.11Å; M691-Q693 PolarHBondContact O-N 2.87Å; Q693-N695 PolarHBondContact O-N 3.19Å; Q693-N695 VanDerWaalsContact O-N 3.12Å; Q693-L696 WeakPolarHBondContact O-CB 3.27Å; Q693-L696 PolarHBondContact O-N 3Å
694	K	96.4	Very high	98.3	Very high	159 Å²	159	29.1 Å²	29.1	69%	0.691	16%	0.156	S	C	*	.	H	α-helix	trans	-64.9	-20.3	-174.7	79.7	-154	175.2	-148	0	113.2	D692	D692-K694 PolarHBondContact O-N 3.49Å; D692-K694 VanDerWaalsContact OD1-CD 3.26Å; D692-K694 WeakPolarHBondContact OD1-CD 3.34Å; D692-K694 WeakPolarHBondContact OD1-CG 3.35Å; D692-K694 PolarHBondContact OD1-N 3.17Å; D692-K694 IonicContact OD1-NZ 2.87Å; D692-K694 WeakPolarHBondContact OD2-CE 3.22Å; D692-K694 IonicContact OD2-NZ 3.65Å; D692-K694 PolarHBondContact OD2-NZ 2.91Å
695	N	97.9	Very high	98.3	Very high	38 Å²	38	32 Å²	32	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-92.1	-13.8	178.8	-57.9	-29.6	0	0	0	112.7	V672 D692 Q693 A697 A698 V699	V672-N695 HydrophobicContact CG1-CB 3.66Å; V672-N695 HydrophobicContact CG2-CB 4.2Å; D692-N695 PolarHBondContact O-N 2.92Å; Q693-N695 PolarHBondContact O-N 3.19Å; Q693-N695 VanDerWaalsContact O-N 3.12Å; N695-A697 PolarHBondContact O-N 3.45Å; N695-A698 PolarHBondContact O-N 3.39Å; N695-A698 VanDerWaalsContact O-N 3.1Å; N695-V699 PolarHBondContact O-N 2.79Å
696	L	97.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-43.5	-169.6	-158.7	71.5	0	0	0	112.2	V479 T540 L635 M691 Q693 A698 Y700	V479-L696 HydrophobicContact CG1-CB 4.42Å; V479-L696 HydrophobicContact CG1-CD2 4.1Å; V479-L696 HydrophobicContact CG1-CG 3.95Å; V479-L696 HydrophobicContact CG2-CD2 4.06Å; T540-L696 WeakPolarHBondContact OG1-CD2 3.36Å; L635-L696 HydrophobicContact CD1-CD1 3.94Å; L635-L696 HydrophobicContact CD1-CG 4.26Å; L635-L696 HydrophobicContact CD2-CD1 4.38Å; L635-L696 HydrophobicContact CD2-CG 4.41Å; L635-L696 HydrophobicContact CG-CD1 3.69Å; L635-L696 HydrophobicContact CG-CG 4.17Å; M691-L696 HydrophobicContact CE-CD1 3.95Å; M691-L696 HydrophobicContact CG-CD1 3.8Å; M691-L696 HydrophobicContact SD-CD1 3.76Å; Q693-L696 WeakPolarHBondContact O-CB 3.27Å; Q693-L696 PolarHBondContact O-N 3Å; L696-A698 PolarHBondContact O-N 3.01Å; L696-Y700 VanDerWaalsContact O-CB 3.23Å; L696-Y700 WeakPolarHBondContact O-CB 3.48Å; L696-Y700 PolarHBondContact O-N 3Å
697	A	98.4	Very high	98.3	Very high	30 Å²	30	32.4 Å²	32.4	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-47.6	174.7	0	0	0	0	0	112.7	G478 L482 N695 Q701	G478-A697 WeakPolarHBondContact O-CB 3.47Å; L482-A697 HydrophobicContact CD1-CB 3.99Å; N695-A697 PolarHBondContact O-N 3.45Å; A697-Q701 WeakPolarHBondContact O-CB 3.19Å; A697-Q701 VanDerWaalsContact O-CG 3.28Å; A697-Q701 WeakPolarHBondContact O-CG 3.36Å; A697-Q701 PolarHBondContact O-N 3.39Å
698	A	98.3	Very high	98.3	Very high	54 Å²	54	40.1 Å²	40.1	45%	0.446	22%	0.219	S	C	.	.	H	α-helix	trans	-70	-43.5	-175.8	0	0	0	0	0	111.7	N695 L696 Q701 A702	N695-A698 PolarHBondContact O-N 3.39Å; N695-A698 VanDerWaalsContact O-N 3.1Å; L696-A698 PolarHBondContact O-N 3.01Å; A698-Q701 PolarHBondContact O-N 2.83Å; A698-A702 WeakPolarHBondContact O-CB 3.36Å; A698-A702 PolarHBondContact O-N 2.75Å
699	V	98.7	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-40.8	177.1	178.8	0	0	0	0	111.1	L669 V672 V674 M691 N695 A702 M703	L669-V699 HydrophobicContact CD2-CG1 3.82Å; L669-V699 HydrophobicContact CG-CG1 4.46Å; V672-V699 HydrophobicContact CB-CG2 3.71Å; V672-V699 HydrophobicContact CG1-CG2 3.86Å; V672-V699 HydrophobicContact CG2-CG2 3.73Å; V674-V699 HydrophobicContact CG2-CG2 4.47Å; M691-V699 HydrophobicContact CE-CB 4.23Å; M691-V699 HydrophobicContact CE-CG1 3.94Å; M691-V699 HydrophobicContact SD-CB 3.72Å; M691-V699 HydrophobicContact SD-CG1 4.08Å; M691-V699 HydrophobicContact SD-CG2 3.64Å; N695-V699 PolarHBondContact O-N 2.79Å; V699-A702 PolarHBondContact O-N 2.95Å; V699-M703 HydrophobicContact CG1-CE 4.32Å; V699-M703 WeakPolarHBondContact O-CG 3.49Å; V699-M703 PolarHBondContact O-N 2.85Å
700	Y	98.9	Very high	98.3	Very high	17 Å²	17	46.5 Å²	46.5	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-52.9	171.9	167.7	-103.4	0	0	0	111.6	V479 L482 L483 V536 L696 A702 M703 M704 N714	V479-Y700 HydrophobicContact CG1-CD1 4.2Å; V479-Y700 HydrophobicContact CG1-CG 3.91Å; L482-Y700 HydrophobicContact CB-CE1 4.2Å; L482-Y700 HydrophobicContact CD1-CD1 3.69Å; L482-Y700 HydrophobicContact CD1-CE1 4.1Å; L483-Y700 HydrophobicContact CD2-CE1 4.27Å; L483-Y700 HydrophobicContact CD2-CE2 4.27Å; L483-Y700 WeakPolarHBondContact CD2-OH 3.34Å; V536-Y700 HydrophobicContact CG1-CD2 4.11Å; V536-Y700 HydrophobicContact CG1-CE2 4.34Å; L696-Y700 VanDerWaalsContact O-CB 3.23Å; L696-Y700 WeakPolarHBondContact O-CB 3.48Å; L696-Y700 PolarHBondContact O-N 3Å; Y700-A702 VanDerWaalsContact C-N 3.32Å; Y700-A702 PolarHBondContact O-N 2.84Å; Y700-M703 PolarHBondContact O-N 2.68Å; Y700-M704 HydrophobicContact CD2-CG 3.92Å; Y700-M704 HydrophobicContact CE1-CG 4.21Å; Y700-M704 HydrophobicContact CE2-CE 4.45Å; Y700-M704 HydrophobicContact CE2-CG 3.46Å; Y700-M704 VanDerWaalsContact CE2-CG 3.46Å; Y700-M704 HydrophobicContact CE2-SD 3.86Å; Y700-M704 HydrophobicContact CG-CG 4.45Å; Y700-M704 VanDerWaalsContact O-CG 3.29Å; Y700-M704 WeakPolarHBondContact O-CG 3.49Å; Y700-M704 PolarHBondContact O-N 3.38Å; Y700-N714 WeakPolarHBondContact CE2-OD1 3.41Å; Y700-N714 PolarHBondContact OH-ND2 2.89Å; Y700-N714 PolarHBondContact OH-OD1 3.05Å
701	Q	98.8	Very high	98.3	Very high	108 Å²	108	47.3 Å²	47.3	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-41.2	179.2	-73.2	175.9	3.7	0	0	112.2	L482 A697 A698 M704 A705	L482-Q701 HydrophobicContact CD1-CG 3.99Å; A697-Q701 WeakPolarHBondContact O-CB 3.19Å; A697-Q701 VanDerWaalsContact O-CG 3.28Å; A697-Q701 WeakPolarHBondContact O-CG 3.36Å; A697-Q701 PolarHBondContact O-N 3.39Å; A698-Q701 PolarHBondContact O-N 2.83Å; Q701-M704 PolarHBondContact O-N 3.5Å; Q701-A705 WeakPolarHBondContact O-CB 3.37Å; Q701-A705 PolarHBondContact O-N 2.67Å
702	A	98.7	Very high	98.3	Very high	25 Å²	25	47.9 Å²	47.9	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-43.3	176.6	0	0	0	0	0	112.6	L649 A670 A698 V699 Y700 A705 A706	L649-A702 HydrophobicContact CD1-CB 4.38Å; L649-A702 HydrophobicContact CD2-CB 4.4Å; A670-A702 HydrophobicContact CB-CB 3.62Å; A698-A702 WeakPolarHBondContact O-CB 3.36Å; A698-A702 PolarHBondContact O-N 2.75Å; V699-A702 PolarHBondContact O-N 2.95Å; Y700-A702 VanDerWaalsContact C-N 3.32Å; Y700-A702 PolarHBondContact O-N 2.84Å; A702-A705 PolarHBondContact O-N 3.15Å; A702-A706 VanDerWaalsContact O-CB 3.28Å; A702-A706 WeakPolarHBondContact O-CB 3.46Å; A702-A706 PolarHBondContact O-N 3.2Å
703	M	98.4	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-44.9	175.3	-71.8	-168.9	-58.4	0	0	112.2	V536 L635 I637 L646 L649 L689 V699 Y700 A705 A706 G707	V536-M703 HydrophobicContact CG1-CE 4.31Å; L635-M703 HydrophobicContact CB-CE 4.06Å; L635-M703 HydrophobicContact CD1-CE 3.52Å; L635-M703 HydrophobicContact CG-CE 4.39Å; I637-M703 HydrophobicContact CD1-SD 4.11Å; L646-M703 HydrophobicContact CD2-CG 4.41Å; L646-M703 HydrophobicContact CD2-SD 3.82Å; L649-M703 HydrophobicContact CD1-CB 4.43Å; L649-M703 HydrophobicContact CD1-CG 3.87Å; L689-M703 HydrophobicContact CD1-CE 4.07Å; L689-M703 HydrophobicContact CD1-SD 3.49Å; L689-M703 WeakPolarHBondContact CD1-SD 3.45Å; V699-M703 HydrophobicContact CG1-CE 4.32Å; V699-M703 WeakPolarHBondContact O-CG 3.49Å; V699-M703 PolarHBondContact O-N 2.85Å; Y700-M703 PolarHBondContact O-N 2.68Å; M703-A705 VanDerWaalsContact C-N 3.31Å; M703-A705 PolarHBondContact O-N 3.44Å; M703-A706 PolarHBondContact O-N 3.24Å; M703-G707 PolarHBondContact O-N 3.05Å
704	M	98.8	Very high	98.5	Very high	39 Å²	39	46.4 Å²	46.4	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-34.3	179.2	-64.1	-60.2	-76.2	0	0	112.2	V536 Y700 Q701 I712	V536-M704 HydrophobicContact CB-SD 4.24Å; V536-M704 HydrophobicContact CG2-SD 3.8Å; Y700-M704 HydrophobicContact CD2-CG 3.92Å; Y700-M704 HydrophobicContact CE1-CG 4.21Å; Y700-M704 HydrophobicContact CE2-CE 4.45Å; Y700-M704 HydrophobicContact CE2-CG 3.46Å; Y700-M704 VanDerWaalsContact CE2-CG 3.46Å; Y700-M704 HydrophobicContact CE2-SD 3.86Å; Y700-M704 HydrophobicContact CG-CG 4.45Å; Y700-M704 VanDerWaalsContact O-CG 3.29Å; Y700-M704 WeakPolarHBondContact O-CG 3.49Å; Y700-M704 PolarHBondContact O-N 3.38Å; Q701-M704 PolarHBondContact O-N 3.5Å; M704-I712 WeakPolarHBondContact O-CG2 3.4Å; M704-I712 HydrophobicContact SD-CD1 4.12Å; M704-I712 HydrophobicContact SD-CG1 3.99Å; M704-I712 HydrophobicContact SD-CG2 4.23Å
705	A	98.8	Very high	98.6	Very high	71 Å²	71	38.9 Å²	38.9	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-69.7	-48.6	172.4	0	0	0	0	0	112	Q701 A702 M703 G707 K708	Q701-A705 WeakPolarHBondContact O-CB 3.37Å; Q701-A705 PolarHBondContact O-N 2.67Å; A702-A705 PolarHBondContact O-N 3.15Å; M703-A705 VanDerWaalsContact C-N 3.31Å; M703-A705 PolarHBondContact O-N 3.44Å; A705-G707 VanDerWaalsContact C-N 3.33Å; A705-G707 PolarHBondContact O-N 3.01Å; A705-K708 WeakPolarHBondContact O-CB 3.36Å; A705-K708 PolarHBondContact O-N 2.89Å
706	A	98.7	Very high	98.6	Very high	17 Å²	17	37.1 Å²	37.1	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-30.8	-177.2	0	0	0	0	0	113.4	V645 K648 L649 A702 M703	V645-A706 HydrophobicContact CG1-CB 4.33Å; K648-A706 HydrophobicContact CB-CB 4.31Å; K648-A706 HydrophobicContact CD-CB 4.26Å; K648-A706 VanDerWaalsContact CD-O 3.27Å; K648-A706 WeakPolarHBondContact CD-O 3.16Å; K648-A706 PolarHBondContact NZ-O 2.85Å; L649-A706 HydrophobicContact CD1-CB 3.87Å; L649-A706 HydrophobicContact CD2-CB 3.95Å; L649-A706 HydrophobicContact CG-CB 3.86Å; A702-A706 VanDerWaalsContact O-CB 3.28Å; A702-A706 WeakPolarHBondContact O-CB 3.46Å; A702-A706 PolarHBondContact O-N 3.2Å; M703-A706 PolarHBondContact O-N 3.24Å
707	G	98.8	Very high	98.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.5	-179.6	0	0	0	0	0	115.5	M703 A705 D709 E710 G711 I712	M703-G707 PolarHBondContact O-N 3.05Å; A705-G707 VanDerWaalsContact C-N 3.33Å; A705-G707 PolarHBondContact O-N 3.01Å; G707-D709 VanDerWaalsContact C-N 3.32Å; G707-D709 PolarHBondContact O-N 2.94Å; G707-E710 WeakPolarHBondContact CA-OE2 3.15Å; G707-E710 CarbonylContact O-C 3.24Å; G707-E710 WeakPolarHBondContact O-CB 3.35Å; G707-E710 PolarHBondContact O-N 3.23Å; G707-E710 VanDerWaalsContact O-N 3.09Å; G707-G711 PolarHBondContact O-N 2.87Å; G707-I712 WeakPolarHBondContact O-CB 3.41Å; G707-I712 WeakPolarHBondContact O-CG2 3.46Å; G707-I712 PolarHBondContact O-N 3.42Å
708	K	98.4	Very high	98.7	Very high	163 Å²	163	38.1 Å²	38.1	71%	0.709	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-56.5	-43.3	-174.6	-174	-177.2	178.2	-174.1	0	112.8	A705 E710 G711	A705-K708 WeakPolarHBondContact O-CB 3.36Å; A705-K708 PolarHBondContact O-N 2.89Å; K708-E710 VanDerWaalsContact C-N 3.29Å; K708-E710 PolarHBondContact O-N 3.13Å; K708-G711 PolarHBondContact O-N 3.27Å; K708-G711 VanDerWaalsContact O-N 3.1Å
709	D	98.2	Very high	98.7	Very high	137 Å²	137	35.5 Å²	35.5	73%	0.733	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-73.2	-22.9	-179.4	-49.9	-41.3	0	0	0	112.6	K648 G707 G711	K648-D709 IonicContact NZ-OD2 2.68Å; G707-D709 VanDerWaalsContact C-N 3.32Å; G707-D709 PolarHBondContact O-N 2.94Å; D709-G711 VanDerWaalsContact C-N 3.26Å
710	E	98.6	Very high	98.7	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-82.6	-4.7	171.9	-68.3	70.1	-148.2	0	0	112.6	V534 N641 K644 V645 K648 G707 K708	V534-E710 HydrophobicContact CG1-CB 4.02Å; N641-E710 HydrophobicContact CB-CB 3.89Å; N641-E710 HydrophobicContact CB-CG 3.98Å; N641-E710 PolarHBondContact ND2-O 2.87Å; K644-E710 HydrophobicContact CB-CG 4.43Å; K644-E710 HydrophobicContact CD-CG 3.86Å; K644-E710 WeakPolarHBondContact CD-OE1 3.23Å; K644-E710 WeakPolarHBondContact CE-OE1 3.25Å; K644-E710 HydrophobicContact CG-CG 4.28Å; K644-E710 IonicContact NZ-OE1 3.28Å; K644-E710 PolarHBondContact NZ-OE1 3.36Å; V645-E710 HydrophobicContact CG2-CB 4.14Å; V645-E710 HydrophobicContact CG2-CG 4.12Å; K648-E710 WeakPolarHBondContact CE-OE1 3.15Å; K648-E710 IonicContact NZ-OE1 2.83Å; K648-E710 PolarHBondContact NZ-OE1 3.16Å; K648-E710 IonicContact NZ-OE2 3.73Å; K648-E710 PolarHBondContact NZ-OE2 2.71Å; G707-E710 WeakPolarHBondContact CA-OE2 3.15Å; G707-E710 CarbonylContact O-C 3.24Å; G707-E710 WeakPolarHBondContact O-CB 3.35Å; G707-E710 PolarHBondContact O-N 3.23Å; G707-E710 VanDerWaalsContact O-N 3.09Å; K708-E710 VanDerWaalsContact C-N 3.29Å; K708-E710 PolarHBondContact O-N 3.13Å
711	G	98.5	Very high	98.7	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	42.1	-176.7	0	0	0	0	0	113.3	L529 G707 K708 D709	L529-G711 WeakPolarHBondContact CD1-O 3.2Å; G707-G711 PolarHBondContact O-N 2.87Å; K708-G711 PolarHBondContact O-N 3.27Å; K708-G711 VanDerWaalsContact O-N 3.1Å; D709-G711 VanDerWaalsContact C-N 3.26Å
712	I	98.9	Very high	98.7	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.092	19%	0.192	C	C	.	.			trans	-61.8	140.8	174.8	-160.3	166.1	0	0	0	112	V534 V536 I637 V645 M704 G707	V534-I712 HydrophobicContact CG1-CB 3.93Å; V534-I712 HydrophobicContact CG1-CD1 4.45Å; V534-I712 HydrophobicContact CG1-CG1 4.01Å; V534-I712 HydrophobicContact CG2-CD1 4.16Å; V534-I712 HydrophobicContact CG2-CG1 4.21Å; V534-I712 WeakPolarHBondContact O-CA 3.32Å; V536-I712 HydrophobicContact CG2-CD1 3.64Å; V536-I712 HydrophobicContact CG2-CG1 4.01Å; I637-I712 HydrophobicContact CD1-CD1 4.17Å; V645-I712 HydrophobicContact CG1-CD1 4.14Å; V645-I712 HydrophobicContact CG2-CD1 4.45Å; M704-I712 WeakPolarHBondContact O-CG2 3.4Å; M704-I712 HydrophobicContact SD-CD1 4.12Å; M704-I712 HydrophobicContact SD-CG1 3.99Å; M704-I712 HydrophobicContact SD-CG2 4.23Å; G707-I712 WeakPolarHBondContact O-CB 3.41Å; G707-I712 WeakPolarHBondContact O-CG2 3.46Å; G707-I712 PolarHBondContact O-N 3.42Å
713	D	98.9	Very high	98.7	Very high	51 Å²	51	31.7 Å²	31.7	27%	0.273	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-178.5	175	-148.7	-38.6	0	0	0	109.2	K503 L529 G535 V536	K503-D713 IonicContact NZ-OD1 3.55Å; K503-D713 PolarHBondContact NZ-OD1 3.36Å; K503-D713 IonicContact NZ-OD2 3.84Å; K503-D713 PolarHBondContact NZ-OD2 3.06Å; L529-D713 HydrophobicContact CD1-CB 3.64Å; L529-D713 HydrophobicContact CD2-CB 3.68Å; L529-D713 HydrophobicContact CG-CB 4.3Å; G535-D713 CarbonylContact C-O 3.51Å; G535-D713 WeakPolarHBondContact CA-O 3.4Å; V536-D713 PolarHBondContact N-O 2.94Å
714	N	98.9	Very high	98.7	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	155.8	177.9	-67.3	-71	0	0	0	112.9	F501 L529 V536 Y700	F501-N714 HydrophobicContact CD1-CB 3.65Å; F501-N714 HydrophobicContact CD2-CB 3.78Å; F501-N714 HydrophobicContact CE1-CB 3.5Å; F501-N714 HydrophobicContact CE2-CB 3.61Å; F501-N714 HydrophobicContact CG-CB 3.8Å; F501-N714 HydrophobicContact CZ-CB 3.48Å; F501-N714 VanDerWaalsContact CZ-CB 3.48Å; L529-N714 WeakPolarHBondContact CD2-O 3.5Å; V536-N714 CarbonylContact O-C 3.56Å; V536-N714 WeakPolarHBondContact O-CA 3.46Å; Y700-N714 WeakPolarHBondContact CE2-OD1 3.41Å; Y700-N714 PolarHBondContact OH-ND2 2.89Å; Y700-N714 PolarHBondContact OH-OD1 3.05Å
715	F	98.9	Very high	98.7	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.177	C	C	.	.			trans	-139.7	149.6	164.5	74	-75.5	0	0	0	111.9	E526 V530 V536 I537 A638 T682 A719 M720	E526-F715 HydrophobicContact CB-CB 3.9Å; E526-F715 HydrophobicContact CG-CB 4.16Å; E526-F715 VanDerWaalsContact OE2-CA 3.31Å; E526-F715 WeakPolarHBondContact OE2-CA 3.3Å; V530-F715 HydrophobicContact CG2-CB 4.28Å; V530-F715 HydrophobicContact CG2-CD1 3.59Å; V530-F715 HydrophobicContact CG2-CD2 3.92Å; V530-F715 HydrophobicContact CG2-CE1 3.74Å; V530-F715 HydrophobicContact CG2-CE2 4.05Å; V530-F715 HydrophobicContact CG2-CG 3.67Å; V530-F715 HydrophobicContact CG2-CZ 3.95Å; V536-F715 WeakPolarHBondContact O-CD1 3.23Å; V536-F715 PolarHBondContact O-N 2.63Å; I537-F715 HydrophobicContact CB-CD1 3.99Å; I537-F715 HydrophobicContact CB-CD2 4.24Å; I537-F715 HydrophobicContact CB-CE1 3.66Å; I537-F715 HydrophobicContact CB-CE2 3.93Å; I537-F715 HydrophobicContact CB-CG 4.28Å; I537-F715 HydrophobicContact CB-CZ 3.64Å; I537-F715 WeakPolarHBondContact CB-O 3.16Å; I537-F715 HydrophobicContact CD1-CD2 4.05Å; I537-F715 HydrophobicContact CD1-CE2 3.83Å; I537-F715 HydrophobicContact CD1-CZ 4.37Å; I537-F715 HydrophobicContact CG1-CE2 4.48Å; I537-F715 WeakPolarHBondContact CG1-O 3.44Å; I537-F715 HydrophobicContact CG2-CD1 4.43Å; I537-F715 HydrophobicContact CG2-CE1 3.6Å; I537-F715 HydrophobicContact CG2-CE2 3.89Å; I537-F715 HydrophobicContact CG2-CZ 3.29Å; A638-F715 HydrophobicContact CB-CE1 4.45Å; A638-F715 HydrophobicContact CB-CZ 4.25Å; T682-F715 HydrophobicContact CG2-CE2 3.77Å; T682-F715 HydrophobicContact CG2-CZ 3.8Å; F715-A719 HydrophobicContact CB-CB 4.27Å; F715-A719 HydrophobicContact CD2-CB 4.22Å; F715-M720 HydrophobicContact CE2-CB 4.26Å
716	G	98.9	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.			trans	-105.9	-177.7	-177.6	0	0	0	0	0	114.5	P498 H499 E526 Y718 A719 M720	P498-G716 CarbonylContact O-C 3.48Å; P498-G716 WeakPolarHBondContact O-CA 3.28Å; H499-G716 CarbonylContact O-C 3.58Å; H499-G716 VanDerWaalsContact O-C 3.31Å; H499-G716 WeakPolarHBondContact O-CA 3.08Å; E526-G716 PolarHBondContact OE2-N 2.91Å; G716-Y718 VanDerWaalsContact C-N 3.27Å; G716-Y718 PolarHBondContact O-N 3.35Å; G716-A719 PolarHBondContact O-N 2.82Å; G716-M720 PolarHBondContact O-N 2.63Å; G716-M720 VanDerWaalsContact O-N 3.13Å
717	T	98.9	Very high	98.7	Very high	20 Å²	20	27.1 Å²	27.1	12%	0.123	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-26.6	-175.8	61.9	0	0	0	0	113.7	Q497 P498 H499 M720 A721	Q497-T717 VanDerWaalsContact CD-CG2 3.49Å; Q497-T717 HydrophobicContact CG-CG2 4.03Å; P498-T717 PolarHBondContact O-N 2.88Å; H499-T717 PolarHBondContact CD2-OG1 3.03Å; H499-T717 VanDerWaalsContact CD2-OG1 3.3Å; H499-T717 PolarHBondContact O-N 3.48Å; T717-M720 HydrophobicContact CG2-CE 4.38Å; T717-M720 PolarHBondContact O-N 3.05Å; T717-A721 WeakPolarHBondContact O-CB 3.47Å; T717-A721 PolarHBondContact O-N 3.15Å
718	Y	98.9	Very high	98.6	Very high	31 Å²	31	27.5 Å²	27.5	12%	0.122	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-39.9	177.7	-71.2	10.7	0	0	0	111.4	H499 W519 V523 G716 A721 S722	H499-Y718 HydrophobicContact CB-CD1 3.88Å; H499-Y718 HydrophobicContact CB-CD2 4.42Å; H499-Y718 HydrophobicContact CB-CE1 3.64Å; H499-Y718 HydrophobicContact CB-CE2 4.23Å; H499-Y718 HydrophobicContact CB-CG 4.27Å; H499-Y718 AromaticContact CD2-CE1 3.81Å; H499-Y718 AromaticContact CE1-CE1 3.75Å; H499-Y718 AromaticContact CG-CD1 3.95Å; H499-Y718 AromaticContact CG-CE1 3.31Å; H499-Y718 AromaticContact CG-CZ 3.67Å; H499-Y718 AromaticContact ND1-CE1 3.27Å; H499-Y718 VanDerWaalsContact ND1-CE1 3.27Å; H499-Y718 WeakPolarHBondContact ND1-CE1 3.39Å; H499-Y718 AromaticContact ND1-CZ 3.27Å; H499-Y718 VanDerWaalsContact ND1-CZ 3.27Å; H499-Y718 PolarHBondContact ND1-OH 2.9Å; H499-Y718 WeakPolarHBondContact O-CB 3.45Å; H499-Y718 PolarHBondContact O-N 3.38Å; W519-Y718 HydrophobicContact CB-CD2 4.48Å; W519-Y718 AromaticContact CD1-CE2 3.8Å; W519-Y718 AromaticContact CD2-CD2 3.75Å; W519-Y718 HydrophobicContact CD2-CD2 3.75Å; W519-Y718 AromaticContact CD2-CE2 3.87Å; W519-Y718 HydrophobicContact CD2-CE2 3.87Å; W519-Y718 AromaticContact CE2-CE2 3.83Å; W519-Y718 AromaticContact CE3-CD2 3.99Å; W519-Y718 HydrophobicContact CE3-CD2 3.99Å; W519-Y718 AromaticContact CG-CD2 3.97Å; W519-Y718 HydrophobicContact CG-CD2 3.97Å; W519-Y718 AromaticContact CG-CE2 3.89Å; W519-Y718 HydrophobicContact CG-CE2 3.89Å; W519-Y718 HydrophobicContact CZ2-CE2 4.49Å; W519-Y718 AromaticContact NE1-CE2 3.73Å; V523-Y718 HydrophobicContact CG2-CD2 4.18Å; V523-Y718 HydrophobicContact CG2-CG 4.44Å; G716-Y718 VanDerWaalsContact C-N 3.27Å; G716-Y718 PolarHBondContact O-N 3.35Å; Y718-A721 PolarHBondContact O-N 3.38Å; Y718-S722 PolarHBondContact O-N 2.73Å
719	A	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-41.6	172.9	0	0	0	0	0	111.1	V523 E526 F715 G716 A721 S722 L723	V523-A719 HydrophobicContact CG1-CB 4.19Å; E526-A719 HydrophobicContact CB-CB 3.51Å; F715-A719 HydrophobicContact CB-CB 4.27Å; F715-A719 HydrophobicContact CD2-CB 4.22Å; G716-A719 PolarHBondContact O-N 2.82Å; A719-A721 VanDerWaalsContact C-N 3.31Å; A719-A721 PolarHBondContact O-N 2.95Å; A719-S722 PolarHBondContact O-N 2.97Å; A719-L723 WeakPolarHBondContact O-CB 3.37Å; A719-L723 WeakPolarHBondContact O-CD1 3.41Å; A719-L723 VanDerWaalsContact O-CG 3.24Å; A719-L723 WeakPolarHBondContact O-CG 3.43Å; A719-L723 PolarHBondContact O-N 3.01Å
720	M	98.8	Very high	98.7	Very high	28 Å²	28	17.2 Å²	17.2	14%	0.138	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-39.3	173.1	-173.3	173.7	66.3	0	0	112.6	I537 L539 Y681 F715 G716 T717 L723 R724	I537-M720 HydrophobicContact CD1-CB 4.14Å; I537-M720 HydrophobicContact CD1-CE 4.37Å; I537-M720 HydrophobicContact CD1-SD 4.01Å; L539-M720 HydrophobicContact CD2-CE 4.39Å; L539-M720 HydrophobicContact CD2-SD 4.1Å; Y681-M720 HydrophobicContact CD1-CE 4.47Å; Y681-M720 HydrophobicContact CD1-CG 3.99Å; Y681-M720 HydrophobicContact CD1-SD 4.03Å; F715-M720 HydrophobicContact CE2-CB 4.26Å; G716-M720 PolarHBondContact O-N 2.63Å; G716-M720 VanDerWaalsContact O-N 3.13Å; T717-M720 HydrophobicContact CG2-CE 4.38Å; T717-M720 PolarHBondContact O-N 3.05Å; M720-L723 PolarHBondContact O-N 3.19Å; M720-R724 WeakPolarHBondContact O-CB 3.43Å; M720-R724 WeakPolarHBondContact O-CG 3.32Å; M720-R724 PolarHBondContact O-N 3.49Å
721	A	98.3	Very high	98.6	Very high	39 Å²	39	17.2 Å²	17.2	32%	0.322	10%	0.099	S	C	.	.	H	α-helix	trans	-65.4	-39.5	178.4	0	0	0	0	0	113.1	T717 Y718 A719 L725	T717-A721 WeakPolarHBondContact O-CB 3.47Å; T717-A721 PolarHBondContact O-N 3.15Å; Y718-A721 PolarHBondContact O-N 3.38Å; A719-A721 VanDerWaalsContact C-N 3.31Å; A719-A721 PolarHBondContact O-N 2.95Å; A721-L725 PolarHBondContact O-N 3.49Å
722	S	98.6	Very high	98.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-51.3	170.9	175.5	0	0	0	0	111	Y718 A719 R724 L725 E726 Y810 Y812	Y718-S722 PolarHBondContact O-N 2.73Å; A719-S722 PolarHBondContact O-N 2.97Å; S722-R724 PolarHBondContact O-N 2.72Å; S722-L725 PolarHBondContact O-N 3.16Å; S722-E726 PolarHBondContact O-N 2.84Å; S722-E726 VanDerWaalsContact O-N 3.16Å; S722-Y810 PolarHBondContact OG-O 3.02Å; S722-Y812 WeakPolarHBondContact OG-CD2 3.37Å
723	L	98.8	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-43.7	-176.8	-71	166.1	0	0	0	112.9	C527 V530 M531 T682 A719 M720 L725 E726 K727	C527-L723 HydrophobicContact CB-CD2 4.26Å; C527-L723 HydrophobicContact CB-CG 4.39Å; V530-L723 HydrophobicContact CB-CD1 3.8Å; V530-L723 HydrophobicContact CG1-CD1 3.89Å; V530-L723 HydrophobicContact CG2-CD1 3.98Å; M531-L723 HydrophobicContact CG-CD2 3.75Å; M531-L723 HydrophobicContact SD-CD2 3.82Å; T682-L723 HydrophobicContact CG2-CD1 3.93Å; A719-L723 WeakPolarHBondContact O-CB 3.37Å; A719-L723 WeakPolarHBondContact O-CD1 3.41Å; A719-L723 VanDerWaalsContact O-CG 3.24Å; A719-L723 WeakPolarHBondContact O-CG 3.43Å; A719-L723 PolarHBondContact O-N 3.01Å; M720-L723 PolarHBondContact O-N 3.19Å; L723-L725 VanDerWaalsContact C-N 3.33Å; L723-L725 PolarHBondContact O-N 2.92Å; L723-E726 PolarHBondContact O-N 2.85Å; L723-K727 WeakPolarHBondContact O-CG 3.31Å; L723-K727 PolarHBondContact O-N 2.81Å
724	R	98.6	Very high	98.6	Very high	22 Å²	22	18.6 Å²	18.6	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-67.3	-33.4	179.6	75.4	87.8	-176.5	178	-1.1	112.4	Y681 M720 S722 K727 G728 F729 E735 S807	Y681-R724 HydrophobicContact CD1-CB 3.78Å; Y681-R724 HydrophobicContact CD1-CG 4.04Å; Y681-R724 HydrophobicContact CE1-CB 3.66Å; Y681-R724 HydrophobicContact CE1-CG 3.49Å; Y681-R724 VanDerWaalsContact CE1-CG 3.49Å; Y681-R724 HydrophobicContact CE2-CB 4.45Å; Y681-R724 HydrophobicContact CG-CB 4.24Å; Y681-R724 VanDerWaalsContact O-CB 3.26Å; Y681-R724 WeakPolarHBondContact O-CB 3.34Å; M720-R724 WeakPolarHBondContact O-CB 3.43Å; M720-R724 WeakPolarHBondContact O-CG 3.32Å; M720-R724 PolarHBondContact O-N 3.49Å; S722-R724 PolarHBondContact O-N 2.72Å; R724-K727 CarbonylContact O-C 3.59Å; R724-K727 PolarHBondContact O-N 2.84Å; R724-G728 PolarHBondContact O-N 3.28Å; R724-F729 HydrophobicContact CB-CB 4.2Å; R724-F729 HydrophobicContact CB-CD2 4.31Å; R724-F729 VanDerWaalsContact CD-O 3.3Å; R724-F729 WeakPolarHBondContact CD-O 3.49Å; R724-F729 PolarHBondContact NH1-O 2.91Å; R724-F729 PolarHBondContact O-N 3.04Å; R724-E735 IonicContact CZ-OE2 2.69Å; R724-E735 IonicContact NH1-OE2 2.69Å; R724-E735 PolarHBondContact NH1-OE2 3.41Å; R724-E735 IonicContact NH2-OE2 3.26Å; R724-S807 PolarHBondContact NH2-OG 3.21Å
725	L	98.4	Very high	98.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-41.7	176	-86.3	168	0	0	0	111.4	A721 S722 L723 K727 G728 Y779 G808 A809 F820	A721-L725 PolarHBondContact O-N 3.49Å; S722-L725 PolarHBondContact O-N 3.16Å; L723-L725 VanDerWaalsContact C-N 3.33Å; L723-L725 PolarHBondContact O-N 2.92Å; L725-K727 PolarHBondContact O-N 2.83Å; L725-G728 PolarHBondContact O-N 3.3Å; L725-Y779 VanDerWaalsContact O-CE2 3.31Å; L725-Y779 WeakPolarHBondContact O-CE2 3.42Å; L725-Y779 PolarHBondContact O-OH 2.98Å; L725-G808 VanDerWaalsContact CD1-C 3.44Å; L725-A809 HydrophobicContact CD1-CB 3.59Å; L725-F820 HydrophobicContact CD2-CD2 3.53Å; L725-F820 HydrophobicContact CD2-CE2 3.93Å; L725-F820 HydrophobicContact CD2-CG 4.49Å
726	E	98.4	Very high	98.6	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-31.9	173.1	-66.7	-173.3	161.2	0	0	112.6	S722 L723 G728 Y779 S811 S813 L818 L852 V853	S722-E726 PolarHBondContact O-N 2.84Å; S722-E726 VanDerWaalsContact O-N 3.16Å; L723-E726 PolarHBondContact O-N 2.85Å; E726-G728 VanDerWaalsContact C-N 3.31Å; E726-Y779 PolarHBondContact O-OH 3.26Å; E726-S811 WeakPolarHBondContact OE1-CB 3.5Å; E726-S811 PolarHBondContact OE1-OG 3Å; E726-S813 WeakPolarHBondContact OE1-CB 3.44Å; E726-S813 PolarHBondContact OE1-N 3.42Å; E726-S813 PolarHBondContact OE1-OG 3.29Å; E726-S813 PolarHBondContact OE2-OG 2.88Å; E726-L818 HydrophobicContact CG-CD1 4.09Å; E726-L852 PolarHBondContact O-N 3.43Å; E726-L852 VanDerWaalsContact O-N 3.13Å; E726-V853 HydrophobicContact CB-CB 4.2Å; E726-V853 HydrophobicContact CB-CG2 3.99Å; E726-V853 PolarHBondContact O-N 3.44Å
727	K	98.6	Very high	98.5	Very high	6 Å²	6	19 Å²	19	3%	0.026	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2	176.6	-54.8	-51	-169.1	-57.4	0	114.3	T682 E684 L723 R724 L725 F729 P851 V853 T855	T682-K727 VanDerWaalsContact O-CE 3.29Å; T682-K727 WeakPolarHBondContact O-CE 3.38Å; T682-K727 VanDerWaalsContact O-CG 3.23Å; T682-K727 WeakPolarHBondContact O-CG 3.44Å; T682-K727 PolarHBondContact O-NZ 3.38Å; E684-K727 WeakPolarHBondContact OE1-CE 3.3Å; E684-K727 IonicContact OE1-NZ 2.79Å; E684-K727 PolarHBondContact OE1-NZ 3.45Å; L723-K727 WeakPolarHBondContact O-CG 3.31Å; L723-K727 PolarHBondContact O-N 2.81Å; R724-K727 CarbonylContact O-C 3.59Å; R724-K727 PolarHBondContact O-N 2.84Å; L725-K727 PolarHBondContact O-N 2.83Å; K727-F729 HydrophobicContact CB-CD1 3.88Å; K727-F729 HydrophobicContact CB-CD2 4.19Å; K727-F729 HydrophobicContact CB-CE1 3.84Å; K727-F729 HydrophobicContact CB-CE2 4.15Å; K727-F729 HydrophobicContact CB-CG 4.07Å; K727-F729 HydrophobicContact CB-CZ 3.98Å; K727-F729 WeakPolarHBondContact O-CD1 3.49Å; K727-F729 PolarHBondContact O-N 2.56Å; K727-P851 VanDerWaalsContact O-CB 3.29Å; K727-P851 WeakPolarHBondContact O-CB 3.3Å; K727-V853 HydrophobicContact CD-CB 4.06Å; K727-V853 HydrophobicContact CD-CG1 4.07Å; K727-V853 WeakPolarHBondContact CD-O 3.27Å; K727-T855 HydrophobicContact CB-CG2 4.14Å; K727-T855 HydrophobicContact CD-CG2 4.16Å; K727-T855 HydrophobicContact CG-CG2 4.29Å
728	G	98.1	Very high	98.5	Very high	7 Å²	7	18 Å²	18	7%	0.072	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	22	-177.4	0	0	0	0	0	113.9	R724 L725 E726 R730	R724-G728 PolarHBondContact O-N 3.28Å; L725-G728 PolarHBondContact O-N 3.3Å; E726-G728 VanDerWaalsContact C-N 3.31Å; G728-R730 PolarHBondContact O-NH1 3.27Å
729	F	98.7	Very high	98.5	Very high	60 Å²	60	18.6 Å²	18.6	26%	0.263	11%	0.114	S	C	.	.			trans	-77.8	128.5	179.1	-65.7	-8.3	0	0	0	110.1	Y681 R724 K727 T855	Y681-F729 HydrophobicContact CD2-CB 4.43Å; Y681-F729 AromaticContact CD2-CD2 3.79Å; Y681-F729 HydrophobicContact CD2-CD2 3.79Å; Y681-F729 HydrophobicContact CE2-CB 3.87Å; Y681-F729 HydrophobicContact CE2-CD2 4.09Å; Y681-F729 HydrophobicContact CE2-CG 4.43Å; Y681-F729 HydrophobicContact CG-CD2 4.46Å; Y681-F729 WeakPolarHBondContact O-CD2 3.43Å; Y681-F729 WeakPolarHBondContact O-CE2 3.39Å; R724-F729 HydrophobicContact CB-CB 4.2Å; R724-F729 HydrophobicContact CB-CD2 4.31Å; R724-F729 VanDerWaalsContact CD-O 3.3Å; R724-F729 WeakPolarHBondContact CD-O 3.49Å; R724-F729 PolarHBondContact NH1-O 2.91Å; R724-F729 PolarHBondContact O-N 3.04Å; K727-F729 HydrophobicContact CB-CD1 3.88Å; K727-F729 HydrophobicContact CB-CD2 4.19Å; K727-F729 HydrophobicContact CB-CE1 3.84Å; K727-F729 HydrophobicContact CB-CE2 4.15Å; K727-F729 HydrophobicContact CB-CG 4.07Å; K727-F729 HydrophobicContact CB-CZ 3.98Å; K727-F729 WeakPolarHBondContact O-CD1 3.49Å; K727-F729 PolarHBondContact O-N 2.56Å; F729-T855 HydrophobicContact CE1-CG2 3.69Å; F729-T855 HydrophobicContact CZ-CG2 3.58Å
730	R	98.7	Very high	98.5	Very high	24 Å²	24	18.8 Å²	18.8	9%	0.091	12%	0.115	C	C	.	.			trans	-72.9	152.2	172.8	-73.8	66.5	174.2	150.2	4.4	109.5	Y681 G728 E735 M736 A745 L747 L777 E850	Y681-R730 PolarHBondContact OH-O 2.88Å; G728-R730 PolarHBondContact O-NH1 3.27Å; R730-E735 HydrophobicContact CB-CB 3.74Å; R730-E735 HydrophobicContact CB-CG 4.16Å; R730-E735 HydrophobicContact CG-CB 3.66Å; R730-E735 HydrophobicContact CG-CG 3.94Å; R730-M736 HydrophobicContact CB-CE 3.95Å; R730-M736 HydrophobicContact CB-SD 3.63Å; R730-M736 HydrophobicContact CG-SD 4.32Å; R730-A745 PolarHBondContact NE-O 2.97Å; R730-A745 PolarHBondContact NH2-O 2.95Å; R730-L747 HydrophobicContact CB-CD2 4.34Å; R730-L747 HydrophobicContact CG-CD2 4.05Å; R730-L777 HydrophobicContact CG-CD2 3.92Å; R730-E850 IonicContact CZ-OE1 3.84Å; R730-E850 IonicContact CZ-OE2 2.75Å; R730-E850 IonicContact NH1-OE1 2.74Å; R730-E850 PolarHBondContact NH1-OE1 2.91Å; R730-E850 IonicContact NH1-OE2 3.17Å; R730-E850 PolarHBondContact NH1-OE2 2.82Å; R730-E850 IonicContact NH2-OE1 2.74Å; R730-E850 PolarHBondContact NH2-OE1 2.72Å; R730-E850 IonicContact NH2-OE2 2.7Å; R730-E850 PolarHBondContact NH2-OE2 2.63Å; R730-E850 VanDerWaalsContact NH2-OE2 3.15Å
731	G	97.9	Very high	98.5	Very high	10 Å²	10	18.1 Å²	18.1	10%	0.103	11%	0.112	C	C	.	.			trans	-115.3	131.3	165.3	0	0	0	0	0	111.1	Y681 A734 E735	Y681-G731 WeakPolarHBondContact OH-CA 3.32Å; G731-A734 PolarHBondContact O-N 3.19Å; G731-A734 VanDerWaalsContact O-N 3.16Å; G731-E735 PolarHBondContact N-OE2 3.01Å; G731-E735 PolarHBondContact O-N 3.37Å
732	W	98.8	Very high	98.6	Very high	44 Å²	44	16.3 Å²	16.3	17%	0.167	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-62.7	142.2	170.1	-169.7	89.8	0	0	0	110.3	I430 V582 F583 E585 S604 A734 M736 N737	I430-W732 HydrophobicContact CB-CH2 4.42Å; I430-W732 HydrophobicContact CD1-CH2 3.59Å; I430-W732 HydrophobicContact CD1-CZ3 3.74Å; I430-W732 HydrophobicContact CG2-CH2 4.2Å; I430-W732 HydrophobicContact CG2-CZ3 4.39Å; V582-W732 PolarHBondContact O-NE1 2.98Å; F583-W732 VanDerWaalsContact O-CE2 3.3Å; F583-W732 WeakPolarHBondContact O-CZ2 3.21Å; F583-W732 PolarHBondContact O-NE1 2.7Å; E585-W732 HydrophobicContact CB-CB 4.09Å; S604-W732 VanDerWaalsContact OG-CE3 3.23Å; S604-W732 VanDerWaalsContact OG-CZ3 3.28Å; S604-W732 WeakPolarHBondContact OG-CZ3 3.14Å; W732-A734 PolarHBondContact O-N 2.91Å; W732-M736 CarbonylContact C-O 3.58Å; W732-M736 WeakPolarHBondContact CA-O 3.38Å; W732-M736 HydrophobicContact CB-CE 4.01Å; W732-N737 HydrophobicContact CZ2-CB 4.34Å
733	G	97.7	Very high	98.6	Very high	45 Å²	45	16.4 Å²	16.4	46%	0.464	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-1.2	-171.1	0	0	0	0	0	114.3	M736	G733-M736 PolarHBondContact N-O 3.19Å
734	A	98.3	Very high	98.6	Very high	34 Å²	34	17.2 Å²	17.2	28%	0.281	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-71.3	173.1	0	0	0	0	0	111.6	G731 W732 T806	G731-A734 PolarHBondContact O-N 3.19Å; G731-A734 VanDerWaalsContact O-N 3.16Å; W732-A734 PolarHBondContact O-N 2.91Å; A734-T806 VanDerWaalsContact O-CB 3.28Å; A734-T806 WeakPolarHBondContact O-CB 3.47Å; A734-T806 WeakPolarHBondContact O-CG2 3.25Å
735	E	98.9	Very high	98.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-28	-179.5	-82.8	68.6	-114.1	0	0	112.9	R724 R730 G731 L777 T806 S807 F820 Y822	R724-E735 IonicContact CZ-OE2 2.69Å; R724-E735 IonicContact NH1-OE2 2.69Å; R724-E735 PolarHBondContact NH1-OE2 3.41Å; R724-E735 IonicContact NH2-OE2 3.26Å; R730-E735 HydrophobicContact CB-CB 3.74Å; R730-E735 HydrophobicContact CB-CG 4.16Å; R730-E735 HydrophobicContact CG-CB 3.66Å; R730-E735 HydrophobicContact CG-CG 3.94Å; G731-E735 PolarHBondContact N-OE2 3.01Å; G731-E735 PolarHBondContact O-N 3.37Å; E735-L777 HydrophobicContact CB-CD1 4.46Å; E735-L777 HydrophobicContact CB-CD2 3.9Å; E735-L777 HydrophobicContact CG-CD1 4.09Å; E735-L777 HydrophobicContact CG-CD2 3.6Å; E735-L777 HydrophobicContact CG-CG 4.45Å; E735-T806 VanDerWaalsContact OE1-CB 3.26Å; E735-T806 WeakPolarHBondContact OE1-CB 3.42Å; E735-T806 PolarHBondContact OE1-OG1 2.93Å; E735-S807 VanDerWaalsContact CD-OG 3.3Å; E735-S807 VanDerWaalsContact OE1-CB 3.31Å; E735-S807 WeakPolarHBondContact OE1-CB 3.28Å; E735-S807 PolarHBondContact OE1-N 2.77Å; E735-S807 PolarHBondContact OE1-OG 3.18Å; E735-S807 PolarHBondContact OE2-OG 2.86Å; E735-F820 HydrophobicContact CG-CB 3.9Å; E735-F820 HydrophobicContact CG-CD2 3.73Å; E735-F820 HydrophobicContact CG-CE2 4.41Å; E735-F820 HydrophobicContact CG-CG 3.87Å; E735-Y822 WeakPolarHBondContact O-CE2 3.37Å; E735-Y822 PolarHBondContact O-OH 2.89Å
736	M	98.7	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-148.5	140.3	177.2	68.8	-69	-172.1	0	0	112.2	V582 E585 R730 W732 G733 T740 A745 L747	V582-M736 HydrophobicContact CB-CB 4.06Å; V582-M736 HydrophobicContact CB-CG 4.12Å; V582-M736 HydrophobicContact CG1-CB 4.28Å; V582-M736 HydrophobicContact CG1-CG 3.77Å; V582-M736 HydrophobicContact CG2-CB 4.07Å; V582-M736 HydrophobicContact CG2-CG 4.33Å; E585-M736 HydrophobicContact CB-CE 3.84Å; E585-M736 HydrophobicContact CG-CE 4.17Å; E585-M736 VanDerWaalsContact OE1-CE 3.29Å; E585-M736 WeakPolarHBondContact OE1-CE 3.21Å; E585-M736 VanDerWaalsContact OE2-CE 3.31Å; E585-M736 WeakPolarHBondContact OE2-CE 3.45Å; R730-M736 HydrophobicContact CB-CE 3.95Å; R730-M736 HydrophobicContact CB-SD 3.63Å; R730-M736 HydrophobicContact CG-SD 4.32Å; W732-M736 CarbonylContact C-O 3.58Å; W732-M736 WeakPolarHBondContact CA-O 3.38Å; W732-M736 HydrophobicContact CB-CE 4.01Å; G733-M736 PolarHBondContact N-O 3.19Å; M736-T740 WeakPolarHBondContact CA-OG1 3.27Å; M736-T740 WeakPolarHBondContact CB-OG1 3.11Å; M736-A745 HydrophobicContact CB-CB 4.11Å; M736-L747 HydrophobicContact CB-CD1 4.36Å; M736-L747 HydrophobicContact CE-CD1 4.29Å; M736-L747 HydrophobicContact CG-CD1 3.87Å; M736-L747 HydrophobicContact SD-CD1 4.22Å
737	N	98.8	Very high	98.6	Very high	22 Å²	22	17.1 Å²	17.1	12%	0.118	11%	0.107	C	C	.	.	S	Bend	trans	-162.3	-163.7	179.6	70.6	-8.7	0	0	0	107.9	D428 V582 W732 D739 T740	D428-N737 HydrophobicContact CB-CB 4.12Å; D428-N737 WeakPolarHBondContact CB-ND2 3.36Å; D428-N737 WeakPolarHBondContact OD2-CB 3.2Å; V582-N737 CarbonylContact O-C 3.4Å; V582-N737 WeakPolarHBondContact O-CA 3.42Å; W732-N737 HydrophobicContact CZ2-CB 4.34Å; N737-D739 PolarHBondContact ND2-OD2 2.91Å; N737-D739 PolarHBondContact O-N 2.91Å; N737-D739 VanDerWaalsContact O-N 3.14Å; N737-D739 WeakPolarHBondContact OD1-CA 3.34Å; N737-D739 VanDerWaalsContact OD1-CB 3.24Å; N737-D739 WeakPolarHBondContact OD1-CB 3.4Å; N737-D739 PolarHBondContact OD1-N 3.02Å; N737-D739 PolarHBondContact OD1-OD2 3.4Å; N737-T740 PolarHBondContact N-OG1 2.9Å; N737-T740 PolarHBondContact O-N 3.03Å; N737-T740 VanDerWaalsContact O-N 3.09Å; N737-T740 PolarHBondContact O-OG1 3.27Å
738	C	98.8	Very high	98.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.8	177.9	-58.8	0	0	0	0	114.5	P425 D428 R581 T740	P425-C738 HydrophobicContact CG-CB 4.13Å; D428-C738 HydrophobicContact CB-CB 3.91Å; D428-C738 VanDerWaalsContact OD2-CB 3.23Å; D428-C738 WeakPolarHBondContact OD2-CB 3.2Å; D428-C738 PolarHBondContact OD2-N 3.26Å; D428-C738 PolarHBondContact OD2-SG 3.01Å; R581-C738 WeakPolarHBondContact CB-O 3.11Å; R581-C738 VanDerWaalsContact CD-O 3.27Å; R581-C738 WeakPolarHBondContact CD-O 3.32Å; R581-C738 VanDerWaalsContact CG-O 3.22Å; R581-C738 WeakPolarHBondContact CG-O 3.45Å; R581-C738 PolarHBondContact NH1-O 2.92Å; C738-T740 PolarHBondContact O-N 3.16Å
739	D	98.8	Very high	98.5	Very high	42 Å²	42	28.4 Å²	28.4	23%	0.225	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.4	174.5	-57	-46.8	0	0	0	113.7	N109 Y427 D428 N737 R775	N109-D739 PolarHBondContact ND2-OD2 3.4Å; Y427-D739 VanDerWaalsContact CA-OD1 3.27Å; Y427-D739 WeakPolarHBondContact CA-OD1 3.23Å; Y427-D739 WeakPolarHBondContact CB-OD1 3.49Å; D428-D739 WeakPolarHBondContact CB-OD2 3.25Å; D428-D739 PolarHBondContact N-OD1 3.45Å; N737-D739 PolarHBondContact ND2-OD2 2.91Å; N737-D739 PolarHBondContact O-N 2.91Å; N737-D739 VanDerWaalsContact O-N 3.14Å; N737-D739 WeakPolarHBondContact OD1-CA 3.34Å; N737-D739 VanDerWaalsContact OD1-CB 3.24Å; N737-D739 WeakPolarHBondContact OD1-CB 3.4Å; N737-D739 PolarHBondContact OD1-N 3.02Å; N737-D739 PolarHBondContact OD1-OD2 3.4Å; D739-R775 PolarHBondContact O-NH2 3.22Å
740	T	98.9	Very high	98.5	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	15%	0.152	C	C	.	.			trans	-129.7	149.1	-167.3	66.2	0	0	0	0	112.4	R581 V582 M736 N737 C738 E744 Y822	R581-T740 CarbonylContact C-O 3.53Å; R581-T740 WeakPolarHBondContact CA-O 3.35Å; V582-T740 PolarHBondContact N-O 3.42Å; M736-T740 WeakPolarHBondContact CA-OG1 3.27Å; M736-T740 WeakPolarHBondContact CB-OG1 3.11Å; N737-T740 PolarHBondContact N-OG1 2.9Å; N737-T740 PolarHBondContact O-N 3.03Å; N737-T740 VanDerWaalsContact O-N 3.09Å; N737-T740 PolarHBondContact O-OG1 3.27Å; C738-T740 PolarHBondContact O-N 3.16Å; T740-E744 WeakPolarHBondContact CA-OE1 3.25Å; T740-Y822 HydrophobicContact CG2-CE2 3.93Å; T740-Y822 WeakPolarHBondContact CG2-OH 3.39Å
741	N	98.9	Very high	98.5	Very high	14 Å²	14	27.4 Å²	27.4	8%	0.075	15%	0.151	C	C	.	.			trans	-100.6	153	164.2	76	81.4	0	0	0	110.8	G580 L743 E744 A745 L765 I768	G580-N741 WeakPolarHBondContact O-CB 3.4Å; N741-L743 PolarHBondContact O-N 3.37Å; N741-L743 VanDerWaalsContact O-N 3.17Å; N741-L743 WeakPolarHBondContact OD1-CB 3.37Å; N741-L743 PolarHBondContact OD1-N 3.42Å; N741-L743 VanDerWaalsContact OD1-N 3.11Å; N741-E744 PolarHBondContact N-OE1 3.4Å; N741-E744 VanDerWaalsContact ND2-CG 3.31Å; N741-E744 WeakPolarHBondContact ND2-CG 3.46Å; N741-E744 PolarHBondContact ND2-OE1 2.82Å; N741-E744 VanDerWaalsContact ND2-OE1 3.12Å; N741-E744 VanDerWaalsContact O-CG 3.26Å; N741-E744 WeakPolarHBondContact O-CG 3.15Å; N741-E744 PolarHBondContact O-N 2.9Å; N741-E744 PolarHBondContact OD1-N 3.12Å; N741-E744 VanDerWaalsContact OD1-N 3.14Å; N741-A745 PolarHBondContact O-N 3.27Å; N741-L765 HydrophobicContact CB-CD2 4.37Å; N741-I768 HydrophobicContact CB-CD1 4.2Å
742	P	98.8	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.3	-174.4	26	-34.4	0	0	0	113.9	L576 G580 V582 G746 L747 I751 L765	L576-P742 HydrophobicContact CD1-CG 4.38Å; L576-P742 HydrophobicContact CD2-CG 3.96Å; G580-P742 VanDerWaalsContact O-CD 3.29Å; G580-P742 WeakPolarHBondContact O-CD 3.2Å; V582-P742 HydrophobicContact CG2-CB 3.84Å; V582-P742 HydrophobicContact CG2-CG 4.22Å; P742-G746 PolarHBondContact O-N 3.41Å; P742-L747 HydrophobicContact CB-CB 4.02Å; P742-L747 HydrophobicContact CB-CD1 4.26Å; P742-L747 WeakPolarHBondContact O-CA 3.31Å; P742-L747 WeakPolarHBondContact O-CB 3.35Å; P742-L747 PolarHBondContact O-N 2.97Å; P742-I751 HydrophobicContact CB-CD1 3.69Å; P742-I751 HydrophobicContact CB-CG1 3.86Å; P742-I751 HydrophobicContact CG-CD1 3.77Å; P742-I751 HydrophobicContact CG-CG1 3.96Å; P742-L765 HydrophobicContact CG-CD1 3.69Å; P742-L765 HydrophobicContact CG-CD2 3.98Å
743	L	98.8	Very high	98.4	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-39.7	-179.2	-49.3	-179.9	0	0	0	111.1	N741 A745 G746 D748 I768 K769 L773	N741-L743 PolarHBondContact O-N 3.37Å; N741-L743 VanDerWaalsContact O-N 3.17Å; N741-L743 WeakPolarHBondContact OD1-CB 3.37Å; N741-L743 PolarHBondContact OD1-N 3.42Å; N741-L743 VanDerWaalsContact OD1-N 3.11Å; L743-A745 VanDerWaalsContact C-N 3.35Å; L743-G746 PolarHBondContact O-N 3.49Å; L743-D748 WeakPolarHBondContact CD2-OD1 3.4Å; L743-I768 HydrophobicContact CD1-CG2 4.24Å; L743-K769 HydrophobicContact CD1-CB 3.9Å; L743-L773 HydrophobicContact CB-CD2 4Å
744	E	98.8	Very high	98.4	Very high	17 Å²	17	34.4 Å²	34.4	8%	0.079	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.7	171.3	66.9	-173.9	169.4	0	0	112.9	T740 N741 G746 L773 R775 K776 L777 Y822	T740-E744 WeakPolarHBondContact CA-OE1 3.25Å; N741-E744 PolarHBondContact N-OE1 3.4Å; N741-E744 VanDerWaalsContact ND2-CG 3.31Å; N741-E744 WeakPolarHBondContact ND2-CG 3.46Å; N741-E744 PolarHBondContact ND2-OE1 2.82Å; N741-E744 VanDerWaalsContact ND2-OE1 3.12Å; N741-E744 VanDerWaalsContact O-CG 3.26Å; N741-E744 WeakPolarHBondContact O-CG 3.15Å; N741-E744 PolarHBondContact O-N 2.9Å; N741-E744 PolarHBondContact OD1-N 3.12Å; N741-E744 VanDerWaalsContact OD1-N 3.14Å; E744-G746 PolarHBondContact O-N 3.31Å; E744-L773 HydrophobicContact CB-CD1 4.4Å; E744-L773 HydrophobicContact CB-CD2 4.35Å; E744-R775 VanDerWaalsContact CD-NE 3.32Å; E744-R775 IonicContact OE1-CZ 2.86Å; E744-R775 IonicContact OE1-NE 2.7Å; E744-R775 IonicContact OE1-NH2 3.54Å; E744-R775 PolarHBondContact OE1-NH2 2.78Å; E744-R775 WeakPolarHBondContact OE2-CG 3.24Å; E744-R775 IonicContact OE2-CZ 3.25Å; E744-R775 IonicContact OE2-NE 3.52Å; E744-R775 PolarHBondContact OE2-NE 3.02Å; E744-R775 IonicContact OE2-NH2 3.26Å; E744-K776 WeakPolarHBondContact O-CA 3.49Å; E744-K776 VanDerWaalsContact O-CG 3.23Å; E744-K776 WeakPolarHBondContact O-CG 3.48Å; E744-L777 WeakPolarHBondContact O-CB 3.36Å; E744-L777 PolarHBondContact O-N 3.49Å; E744-Y822 HydrophobicContact CB-CE1 4.1Å; E744-Y822 HydrophobicContact CG-CE1 3.85Å
745	A	98.8	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.9	170.7	0	0	0	0	0	113.8	R730 M736 N741 L743 L747 Y822	R730-A745 PolarHBondContact NE-O 2.97Å; R730-A745 PolarHBondContact NH2-O 2.95Å; M736-A745 HydrophobicContact CB-CB 4.11Å; N741-A745 PolarHBondContact O-N 3.27Å; L743-A745 VanDerWaalsContact C-N 3.35Å; A745-L747 HydrophobicContact CB-CD1 3.81Å; A745-L747 HydrophobicContact CB-CG 3.91Å; A745-Y822 WeakPolarHBondContact CA-OH 3.41Å
746	G	98.1	Very high	98.3	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	23.1	-176.5	0	0	0	0	0	114.4	P742 L743 E744 D748	P742-G746 PolarHBondContact O-N 3.41Å; L743-G746 PolarHBondContact O-N 3.49Å; E744-G746 PolarHBondContact O-N 3.31Å; G746-D748 VanDerWaalsContact C-N 3.25Å; G746-D748 PolarHBondContact O-N 3.01Å
747	L	98.6	Very high	98.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.215	C	C	.	.			trans	-86.6	13	-178.5	-60.2	169.4	0	0	0	112.8	R730 M736 P742 A745 Y749 F750	R730-L747 HydrophobicContact CB-CD2 4.34Å; R730-L747 HydrophobicContact CG-CD2 4.05Å; M736-L747 HydrophobicContact CB-CD1 4.36Å; M736-L747 HydrophobicContact CE-CD1 4.29Å; M736-L747 HydrophobicContact CG-CD1 3.87Å; M736-L747 HydrophobicContact SD-CD1 4.22Å; P742-L747 HydrophobicContact CB-CB 4.02Å; P742-L747 HydrophobicContact CB-CD1 4.26Å; P742-L747 WeakPolarHBondContact O-CA 3.31Å; P742-L747 WeakPolarHBondContact O-CB 3.35Å; P742-L747 PolarHBondContact O-N 2.97Å; A745-L747 HydrophobicContact CB-CD1 3.81Å; A745-L747 HydrophobicContact CB-CG 3.91Å; L747-Y749 PolarHBondContact O-N 2.74Å; L747-F750 HydrophobicContact CB-CD2 4.16Å; L747-F750 HydrophobicContact CD2-CD2 4.03Å; L747-F750 HydrophobicContact CD2-CE2 4.03Å; L747-F750 PolarHBondContact O-N 3.35Å
748	D	96.8	Very high	98.2	Very high	72 Å²	72	44.8 Å²	44.8	39%	0.385	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-33.3	-178	-58.2	-96.9	0	0	0	114.1	L743 G746 F750 I751	L743-D748 WeakPolarHBondContact CD2-OD1 3.4Å; G746-D748 VanDerWaalsContact C-N 3.25Å; G746-D748 PolarHBondContact O-N 3.01Å; D748-F750 VanDerWaalsContact C-N 3.25Å; D748-F750 PolarHBondContact O-N 2.87Å; D748-I751 PolarHBondContact O-N 3.12Å
749	Y	97.7	Very high	98.2	Very high	178 Å²	178	44.9 Å²	44.9	70%	0.698	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.4	177.9	176.2	-101.2	0	0	0	112.9	L747 K752	L747-Y749 PolarHBondContact O-N 2.74Å; Y749-K752 PolarHBondContact O-NZ 3.21Å
750	F	98.5	Very high	98.2	Very high	50 Å²	50	43.5 Å²	43.5	22%	0.219	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-27.6	-178.4	-54.2	-77.1	0	0	0	112.4	N562 I572 H574 L747 D748 K752	N562-F750 VanDerWaalsContact CA-O 3.26Å; N562-F750 WeakPolarHBondContact CA-O 3.31Å; N562-F750 WeakPolarHBondContact CB-O 3.44Å; N562-F750 PolarHBondContact OD1-O 3.42Å; I572-F750 HydrophobicContact CB-CD1 3.97Å; I572-F750 HydrophobicContact CB-CE1 3.79Å; I572-F750 HydrophobicContact CG1-CE1 4.28Å; I572-F750 HydrophobicContact CG2-CD1 4.44Å; I572-F750 HydrophobicContact CG2-CE1 4.37Å; H574-F750 AromaticContact CE1-CD2 3.84Å; H574-F750 AromaticContact CE1-CG 3.77Å; L747-F750 HydrophobicContact CB-CD2 4.16Å; L747-F750 HydrophobicContact CD2-CD2 4.03Å; L747-F750 HydrophobicContact CD2-CE2 4.03Å; L747-F750 PolarHBondContact O-N 3.35Å; D748-F750 VanDerWaalsContact C-N 3.25Å; D748-F750 PolarHBondContact O-N 2.87Å; F750-K752 PolarHBondContact O-N 2.99Å
751	I	98.6	Very high	98.2	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.067	23%	0.231	C	C	.	.			trans	-80.6	119.2	-175.4	-49.6	-54.8	0	0	0	111.6	A561 H574 P742 D748 L753 F759 L765	A561-I751 HydrophobicContact CB-CD1 3.62Å; A561-I751 HydrophobicContact CB-CG2 4.4Å; H574-I751 HydrophobicContact CB-CD1 4.43Å; P742-I751 HydrophobicContact CB-CD1 3.69Å; P742-I751 HydrophobicContact CB-CG1 3.86Å; P742-I751 HydrophobicContact CG-CD1 3.77Å; P742-I751 HydrophobicContact CG-CG1 3.96Å; D748-I751 PolarHBondContact O-N 3.12Å; I751-L753 HydrophobicContact CG2-CD2 3.8Å; I751-L753 HydrophobicContact CG2-CG 3.93Å; I751-F759 HydrophobicContact CG2-CZ 4.37Å; I751-L765 HydrophobicContact CG2-CD1 3.66Å
752	K	98.5	Very high	98.1	Very high	67 Å²	67	43.9 Å²	43.9	29%	0.291	23%	0.232	S	C	.	.			trans	-106.1	66.7	-179.3	-53.5	-53.8	178.2	-165.5	0	111.4	A561 N562 T563 Y749 F750 N754 K755	A561-K752 PolarHBondContact O-N 2.87Å; N562-K752 WeakPolarHBondContact OD1-CE 3.23Å; N562-K752 WeakPolarHBondContact OD1-CG 3.24Å; T563-K752 HydrophobicContact CG2-CB 4.34Å; T563-K752 HydrophobicContact CG2-CG 4.12Å; Y749-K752 PolarHBondContact O-NZ 3.21Å; F750-K752 PolarHBondContact O-N 2.99Å; K752-N754 PolarHBondContact O-N 3.48Å; K752-K755 HydrophobicContact CB-CB 4.17Å; K752-K755 HydrophobicContact CB-CD 4.45Å; K752-K755 WeakPolarHBondContact O-CB 3.43Å; K752-K755 WeakPolarHBondContact O-CG 3.24Å; K752-K755 PolarHBondContact O-N 3.24Å
753	L	97.8	Very high	98.1	Very high	17 Å²	17	47 Å²	47	9%	0.089	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-29	179.1	-63.6	173.8	0	0	0	114.4	I751 F759 K762 L765 Q766 K769	I751-L753 HydrophobicContact CG2-CD2 3.8Å; I751-L753 HydrophobicContact CG2-CG 3.93Å; L753-F759 HydrophobicContact CD2-CZ 4.26Å; L753-K762 WeakPolarHBondContact O-CE 3.44Å; L753-L765 HydrophobicContact CD2-CB 3.64Å; L753-L765 HydrophobicContact CD2-CD1 4.11Å; L753-Q766 HydrophobicContact CD2-CG 4.42Å; L753-K769 HydrophobicContact CD1-CD 3.61Å
754	N	97	Very high	98.1	Very high	163 Å²	163	47.6 Å²	47.6	87%	0.872	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.9	-178.8	-62.1	9.3	0	0	0	113.9	K752	K752-N754 PolarHBondContact O-N 3.48Å
755	K	97.1	Very high	98.1	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.043	26%	0.259	C	S	.	.	S	Bend	trans	-68.9	152.7	177	80.9	174.5	-176.8	166.6	0	111.1	D557 F560 N562 T563 K752 A757 F759 K762	D557-K755 VanDerWaalsContact O-CE 3.29Å; D557-K755 WeakPolarHBondContact O-CE 3.42Å; D557-K755 PolarHBondContact O-NZ 3.39Å; D557-K755 IonicContact OD1-NZ 2.78Å; D557-K755 PolarHBondContact OD1-NZ 2.89Å; F560-K755 WeakPolarHBondContact O-CE 3.48Å; F560-K755 PolarHBondContact O-NZ 3.43Å; N562-K755 PolarHBondContact O-NZ 2.83Å; T563-K755 HydrophobicContact CG2-CB 4.31Å; K752-K755 HydrophobicContact CB-CB 4.17Å; K752-K755 HydrophobicContact CB-CD 4.45Å; K752-K755 WeakPolarHBondContact O-CB 3.43Å; K752-K755 WeakPolarHBondContact O-CG 3.24Å; K752-K755 PolarHBondContact O-N 3.24Å; K755-A757 PolarHBondContact O-N 2.87Å; K755-F759 HydrophobicContact CD-CD1 4.19Å; K755-F759 HydrophobicContact CG-CD1 3.99Å; K755-F759 HydrophobicContact CG-CE1 4.17Å; K755-K762 PolarHBondContact O-NZ 2.91Å
756	P	97.4	Very high	98.1	Very high	130 Å²	130	51.3 Å²	51.3	84%	0.844	28%	0.28	S	S	*	.	S	Bend	trans	-61.7	-46	-175	-25	35.5	0	0	0	113.6
757	A	97.1	Very high	98.1	Very high	26 Å²	26	55.3 Å²	55.3	22%	0.215	29%	0.294	C	S	.	.	S	Bend	trans	-59.8	138	-178.5	0	0	0	0	0	112.6	D557 K755 F759 K762	D557-A757 HydrophobicContact CB-CB 4.28Å; D557-A757 WeakPolarHBondContact O-CB 3.23Å; D557-A757 WeakPolarHBondContact OD2-CB 3.44Å; K755-A757 PolarHBondContact O-N 2.87Å; A757-F759 PolarHBondContact O-N 2.88Å; A757-F759 VanDerWaalsContact O-N 3.15Å; A757-K762 PolarHBondContact O-NZ 2.92Å
758	D	97.8	Very high	98.1	Very high	108 Å²	108	57.1 Å²	57.1	58%	0.578	30%	0.303	S	S	*	.			trans	-83.1	85.1	170.4	-164.6	44.6	0	0	0	109.3	R558 K762	R558-D758 PolarHBondContact NH1-O 2.88Å; D758-K762 WeakPolarHBondContact OD1-CD 3.45Å
759	F	98.8	Very high	98.2	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.013	31%	0.312	C	S	.	.			trans	-77.2	153.5	-179	65.7	-92.4	0	0	0	111.5	R558 A561 L576 I751 L753 K755 A757 G761 K762	R558-F759 CarbonylContact O-C 3.59Å; R558-F759 WeakPolarHBondContact O-CA 3.45Å; R558-F759 VanDerWaalsContact O-CB 3.22Å; R558-F759 WeakPolarHBondContact O-CB 3.39Å; A561-F759 HydrophobicContact CB-CD2 3.94Å; A561-F759 HydrophobicContact CB-CE2 3.6Å; A561-F759 HydrophobicContact CB-CZ 4.23Å; L576-F759 HydrophobicContact CD1-CD2 4.49Å; L576-F759 HydrophobicContact CD1-CE2 4.03Å; I751-F759 HydrophobicContact CG2-CZ 4.37Å; L753-F759 HydrophobicContact CD2-CZ 4.26Å; K755-F759 HydrophobicContact CD-CD1 4.19Å; K755-F759 HydrophobicContact CG-CD1 3.99Å; K755-F759 HydrophobicContact CG-CE1 4.17Å; A757-F759 PolarHBondContact O-N 2.88Å; A757-F759 VanDerWaalsContact O-N 3.15Å; F759-G761 PolarHBondContact O-N 3.5Å; F759-K762 HydrophobicContact CD1-CB 3.92Å; F759-K762 HydrophobicContact CD1-CD 3.76Å; F759-K762 HydrophobicContact CD1-CG 3.94Å; F759-K762 HydrophobicContact CD2-CB 3.96Å; F759-K762 HydrophobicContact CE1-CB 3.86Å; F759-K762 HydrophobicContact CE1-CD 3.74Å; F759-K762 HydrophobicContact CE1-CG 3.56Å; F759-K762 HydrophobicContact CE2-CB 3.86Å; F759-K762 HydrophobicContact CE2-CG 4.36Å; F759-K762 HydrophobicContact CG-CB 4Å; F759-K762 HydrophobicContact CZ-CB 3.83Å; F759-K762 HydrophobicContact CZ-CD 4.48Å; F759-K762 HydrophobicContact CZ-CG 3.8Å; F759-K762 WeakPolarHBondContact O-CB 3.37Å; F759-K762 PolarHBondContact O-N 2.99Å
760	I	98.9	Very high	98.2	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.067	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	135	-176.7	-50.1	174.3	0	0	0	109.4	R558 L559 L576 P578 W611 E615 K762	R558-I760 HydrophobicContact CG-CG1 4.27Å; R558-I760 PolarHBondContact O-N 2.87Å; L559-I760 HydrophobicContact CD2-CD1 4.18Å; L576-I760 WeakPolarHBondContact O-CG2 3.4Å; P578-I760 HydrophobicContact CG-CG2 4.13Å; W611-I760 HydrophobicContact CZ2-CD1 4.41Å; W611-I760 HydrophobicContact CZ2-CG2 4.41Å; E615-I760 HydrophobicContact CG-CD1 4.35Å; E615-I760 WeakPolarHBondContact OE2-CD1 3.25Å; I760-K762 VanDerWaalsContact C-N 3.28Å; I760-K762 PolarHBondContact O-N 3.23Å
761	G	98.7	Very high	98.2	Very high	7 Å²	7	60.6 Å²	60.6	7%	0.072	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	-4.3	-177.4	0	0	0	0	0	116.4	T577 F759 A763 A764 L765	T577-G761 WeakPolarHBondContact O-CA 3.49Å; T577-G761 PolarHBondContact O-N 2.88Å; F759-G761 PolarHBondContact O-N 3.5Å; G761-A763 PolarHBondContact O-N 3.04Å; G761-A764 PolarHBondContact O-N 3.02Å; G761-L765 PolarHBondContact O-N 3.18Å
762	K	98.8	Very high	98.1	Very high	20 Å²	20	62 Å²	62	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-53.8	-48.8	-177.9	-176.1	-176.4	-167.5	178.3	0	113.3	L753 K755 A757 D758 F759 I760 L765 Q766	L753-K762 WeakPolarHBondContact O-CE 3.44Å; K755-K762 PolarHBondContact O-NZ 2.91Å; A757-K762 PolarHBondContact O-NZ 2.92Å; D758-K762 WeakPolarHBondContact OD1-CD 3.45Å; F759-K762 HydrophobicContact CD1-CB 3.92Å; F759-K762 HydrophobicContact CD1-CD 3.76Å; F759-K762 HydrophobicContact CD1-CG 3.94Å; F759-K762 HydrophobicContact CD2-CB 3.96Å; F759-K762 HydrophobicContact CE1-CB 3.86Å; F759-K762 HydrophobicContact CE1-CD 3.74Å; F759-K762 HydrophobicContact CE1-CG 3.56Å; F759-K762 HydrophobicContact CE2-CB 3.86Å; F759-K762 HydrophobicContact CE2-CG 4.36Å; F759-K762 HydrophobicContact CG-CB 4Å; F759-K762 HydrophobicContact CZ-CB 3.83Å; F759-K762 HydrophobicContact CZ-CD 4.48Å; F759-K762 HydrophobicContact CZ-CG 3.8Å; F759-K762 WeakPolarHBondContact O-CB 3.37Å; F759-K762 PolarHBondContact O-N 2.99Å; I760-K762 VanDerWaalsContact C-N 3.28Å; I760-K762 PolarHBondContact O-N 3.23Å; K762-L765 PolarHBondContact O-N 3.12Å; K762-Q766 WeakPolarHBondContact O-CG 3.34Å; K762-Q766 PolarHBondContact O-N 3.25Å
763	A	98.5	Very high	98.1	Very high	64 Å²	64	61 Å²	61	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-43.3	179.4	0	0	0	0	0	112.1	G761 L765 Q766 E767	G761-A763 PolarHBondContact O-N 3.04Å; A763-L765 VanDerWaalsContact C-N 3.35Å; A763-L765 PolarHBondContact O-N 2.92Å; A763-Q766 WeakPolarHBondContact O-CB 3.49Å; A763-Q766 PolarHBondContact O-N 2.93Å; A763-E767 PolarHBondContact O-N 2.93Å
764	A	98.6	Very high	98.1	Very high	18 Å²	18	69.3 Å²	69.3	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-40.4	176	0	0	0	0	0	111.9	P578 G761 E767 I768	P578-A764 WeakPolarHBondContact O-CB 3.27Å; G761-A764 PolarHBondContact O-N 3.02Å; A764-E767 PolarHBondContact O-N 2.98Å; A764-I768 WeakPolarHBondContact O-CB 3.49Å; A764-I768 VanDerWaalsContact O-CG1 3.25Å; A764-I768 WeakPolarHBondContact O-CG1 3.25Å; A764-I768 PolarHBondContact O-N 3.13Å
765	L	98.6	Very high	98.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67	-34.8	174	-66.7	-163.3	0	0	0	113.4	L576 G580 N741 P742 I751 L753 G761 K762 A763 E767 I768 K769	L576-L765 HydrophobicContact CD1-CD1 3.5Å; L576-L765 HydrophobicContact CD1-CG 4.09Å; G580-L765 WeakPolarHBondContact O-CD2 3.45Å; N741-L765 HydrophobicContact CB-CD2 4.37Å; P742-L765 HydrophobicContact CG-CD1 3.69Å; P742-L765 HydrophobicContact CG-CD2 3.98Å; I751-L765 HydrophobicContact CG2-CD1 3.66Å; L753-L765 HydrophobicContact CD2-CB 3.64Å; L753-L765 HydrophobicContact CD2-CD1 4.11Å; G761-L765 PolarHBondContact O-N 3.18Å; K762-L765 PolarHBondContact O-N 3.12Å; A763-L765 VanDerWaalsContact C-N 3.35Å; A763-L765 PolarHBondContact O-N 2.92Å; L765-E767 VanDerWaalsContact C-N 3.34Å; L765-I768 HydrophobicContact CD2-CD1 4.27Å; L765-K769 WeakPolarHBondContact O-CB 3.18Å; L765-K769 PolarHBondContact O-N 3.06Å
766	Q	98.5	Very high	98.2	Very high	95 Å²	95	68 Å²	68	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-41.7	173	-72.2	172.9	-12	0	0	110.8	L753 K762 A763 K769 A770	L753-Q766 HydrophobicContact CD2-CG 4.42Å; K762-Q766 WeakPolarHBondContact O-CG 3.34Å; K762-Q766 PolarHBondContact O-N 3.25Å; A763-Q766 WeakPolarHBondContact O-CB 3.49Å; A763-Q766 PolarHBondContact O-N 2.93Å; Q766-K769 PolarHBondContact O-N 3.15Å; Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.96Å
767	E	98.5	Very high	98.3	Very high	105 Å²	105	62.1 Å²	62.1	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-46.2	175.7	-169.5	-176.5	-173.8	0	0	112.5	A763 A764 L765 K769 A770 K771	A763-E767 PolarHBondContact O-N 2.93Å; A764-E767 PolarHBondContact O-N 2.98Å; L765-E767 VanDerWaalsContact C-N 3.34Å; E767-K769 VanDerWaalsContact C-N 3.31Å; E767-K769 PolarHBondContact O-N 3Å; E767-A770 PolarHBondContact O-N 2.87Å; E767-K771 VanDerWaalsContact CD-NZ 3.33Å; E767-K771 HydrophobicContact CG-CD 4.16Å; E767-K771 WeakPolarHBondContact O-CB 3.32Å; E767-K771 WeakPolarHBondContact O-CG 3.41Å; E767-K771 PolarHBondContact O-N 3.49Å; E767-K771 WeakPolarHBondContact OE1-CE 3.49Å; E767-K771 IonicContact OE1-NZ 2.88Å; E767-K771 PolarHBondContact OE1-NZ 2.7Å
768	I	98.4	Very high	98.4	Very high	41 Å²	41	61.3 Å²	61.3	21%	0.21	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-44.4	175.2	-70.2	163.3	0	0	0	110.2	N741 L743 A764 L765 A770 K771 G772 L773	N741-I768 HydrophobicContact CB-CD1 4.2Å; L743-I768 HydrophobicContact CD1-CG2 4.24Å; A764-I768 WeakPolarHBondContact O-CB 3.49Å; A764-I768 VanDerWaalsContact O-CG1 3.25Å; A764-I768 WeakPolarHBondContact O-CG1 3.25Å; A764-I768 PolarHBondContact O-N 3.13Å; L765-I768 HydrophobicContact CD2-CD1 4.27Å; I768-A770 VanDerWaalsContact C-N 3.33Å; I768-A770 PolarHBondContact O-N 2.96Å; I768-K771 PolarHBondContact O-N 3Å; I768-G772 PolarHBondContact O-N 3.24Å; I768-L773 HydrophobicContact CG2-CD2 3.86Å
769	K	97.8	Very high	98.4	Very high	130 Å²	130	56.3 Å²	56.3	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-65.4	-34.5	177.6	-171.7	169.3	-176.6	169.7	0	112.9	L743 L753 L765 Q766 E767	L743-K769 HydrophobicContact CD1-CB 3.9Å; L753-K769 HydrophobicContact CD1-CD 3.61Å; L765-K769 WeakPolarHBondContact O-CB 3.18Å; L765-K769 PolarHBondContact O-N 3.06Å; Q766-K769 PolarHBondContact O-N 3.15Å; E767-K769 VanDerWaalsContact C-N 3.31Å; E767-K769 PolarHBondContact O-N 3Å
770	A	98.1	Very high	98.4	Very high	89 Å²	89	56.2 Å²	56.2	74%	0.736	30%	0.296	S	S	*	.	H	α-helix	trans	-75.1	-35.9	176.6	0	0	0	0	0	113	Q766 E767 I768	Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.96Å; E767-A770 PolarHBondContact O-N 2.87Å; I768-A770 VanDerWaalsContact C-N 3.33Å; I768-A770 PolarHBondContact O-N 2.96Å
771	K	98.1	Very high	98.4	Very high	154 Å²	154	56.5 Å²	56.5	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-74.3	-26.3	175.2	-73.1	178.1	-178.4	171.4	0	113.4	E767 I768	E767-K771 VanDerWaalsContact CD-NZ 3.33Å; E767-K771 HydrophobicContact CG-CD 4.16Å; E767-K771 WeakPolarHBondContact O-CB 3.32Å; E767-K771 WeakPolarHBondContact O-CG 3.41Å; E767-K771 PolarHBondContact O-N 3.49Å; E767-K771 WeakPolarHBondContact OE1-CE 3.49Å; E767-K771 IonicContact OE1-NZ 2.88Å; E767-K771 PolarHBondContact OE1-NZ 2.7Å; I768-K771 PolarHBondContact O-N 3Å
772	G	97.4	Very high	98.4	Very high	42 Å²	42	56.1 Å²	56.1	43%	0.433	30%	0.296	S	S	.	.			trans	85.3	158.3	-171.5	0	0	0	0	0	112.7	I768	I768-G772 PolarHBondContact O-N 3.24Å
773	L	98.3	Very high	98.3	Very high	46 Å²	46	64.8 Å²	64.8	24%	0.241	33%	0.328	C	S	.	.			trans	-80.3	162.2	178.7	-54.3	178	0	0	0	111	L743 E744 I768 L825	L743-L773 HydrophobicContact CB-CD2 4Å; E744-L773 HydrophobicContact CB-CD1 4.4Å; E744-L773 HydrophobicContact CB-CD2 4.35Å; I768-L773 HydrophobicContact CG2-CD2 3.86Å; L773-L825 HydrophobicContact CB-CD1 4.17Å; L773-L825 HydrophobicContact CB-CD2 4.16Å; L773-L825 WeakPolarHBondContact O-CD1 3.44Å
774	K	97.8	Very high	98.3	Very high	191 Å²	191	63.3 Å²	63.3	83%	0.83	31%	0.313	S	S	*	.	S	Bend	trans	-111.2	-33	171.7	-65.6	-174.3	178.2	-176.8	0	113	L825	K774-L825 PolarHBondContact O-N 3.19Å
775	R	98.6	Very high	98	Very high	77 Å²	77	67 Å²	67	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	163.7	173.1	63.8	179.1	-179.2	173.8	1.7	109.4	D739 E744 Y822 L823	D739-R775 PolarHBondContact O-NH2 3.22Å; E744-R775 VanDerWaalsContact CD-NE 3.32Å; E744-R775 IonicContact OE1-CZ 2.86Å; E744-R775 IonicContact OE1-NE 2.7Å; E744-R775 IonicContact OE1-NH2 3.54Å; E744-R775 PolarHBondContact OE1-NH2 2.78Å; E744-R775 WeakPolarHBondContact OE2-CG 3.24Å; E744-R775 IonicContact OE2-CZ 3.25Å; E744-R775 IonicContact OE2-NE 3.52Å; E744-R775 PolarHBondContact OE2-NE 3.02Å; E744-R775 IonicContact OE2-NH2 3.26Å; R775-Y822 HydrophobicContact CB-CD1 4.46Å; R775-Y822 HydrophobicContact CG-CD1 3.93Å; R775-L823 CarbonylContact C-O 3.56Å; R775-L823 WeakPolarHBondContact CA-O 3.3Å; R775-L823 VanDerWaalsContact CB-O 3.28Å; R775-L823 WeakPolarHBondContact CB-O 3.33Å
776	K	98.6	Very high	98	Very high	70 Å²	70	70.6 Å²	70.6	30%	0.304	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.9	165.3	-159.2	-177.5	-178.9	-176.9	0	110.5	E744 S778 L823 L825	E744-K776 WeakPolarHBondContact O-CA 3.49Å; E744-K776 VanDerWaalsContact O-CG 3.23Å; E744-K776 WeakPolarHBondContact O-CG 3.48Å; K776-S778 PolarHBondContact O-N 3.18Å; K776-L823 PolarHBondContact N-O 3.44Å; K776-L823 PolarHBondContact O-N 2.77Å; K776-L825 HydrophobicContact CB-CD2 3.82Å
777	L	98.9	Very high	98	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.5	166.9	-166.9	77.4	0	0	0	109.3	R730 E735 E744 T806 F820 Y822	R730-L777 HydrophobicContact CG-CD2 3.92Å; E735-L777 HydrophobicContact CB-CD1 4.46Å; E735-L777 HydrophobicContact CB-CD2 3.9Å; E735-L777 HydrophobicContact CG-CD1 4.09Å; E735-L777 HydrophobicContact CG-CD2 3.6Å; E735-L777 HydrophobicContact CG-CG 4.45Å; E744-L777 WeakPolarHBondContact O-CB 3.36Å; E744-L777 PolarHBondContact O-N 3.49Å; L777-T806 HydrophobicContact CD1-CG2 3.92Å; L777-F820 HydrophobicContact CD1-CB 4.17Å; L777-F820 HydrophobicContact CD1-CD1 4.49Å; L777-F820 HydrophobicContact CD2-CD1 3.75Å; L777-F820 HydrophobicContact CD2-CE1 4.05Å; L777-F820 HydrophobicContact CD2-CG 4.19Å; L777-F820 HydrophobicContact CG-CB 4.45Å; L777-F820 HydrophobicContact CG-CD1 3.87Å; L777-F820 HydrophobicContact CG-CG 4.42Å; L777-Y822 HydrophobicContact CB-CD1 4.32Å; L777-Y822 HydrophobicContact CB-CE1 3.9Å; L777-Y822 HydrophobicContact CD1-CD2 3.91Å; L777-Y822 HydrophobicContact CD1-CE1 4.36Å; L777-Y822 HydrophobicContact CD1-CE2 3.67Å; L777-Y822 HydrophobicContact CD1-CG 4.34Å
778	S	98.7	Very high	98	Very high	8 Å²	8	62.9 Å²	62.9	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.5	-179.4	-64.4	0	0	0	0	109.9	K776 F820 G821 C828	K776-S778 PolarHBondContact O-N 3.18Å; S778-F820 WeakPolarHBondContact O-CA 3.27Å; S778-G821 PolarHBondContact N-O 2.77Å; S778-G821 PolarHBondContact O-N 2.76Å; S778-C828 PolarHBondContact OG-SG 3.03Å; S778-C828 VanDerWaalsContact OG-SG 3.35Å
779	Y	98.6	Very high	98	Very high	4 Å²	4	61 Å²	61	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.9	-177.7	-174.1	-124.9	0	0	0	109.2	L725 E726 F820 V847 I848 E850 L852	L725-Y779 VanDerWaalsContact O-CE2 3.31Å; L725-Y779 WeakPolarHBondContact O-CE2 3.42Å; L725-Y779 PolarHBondContact O-OH 2.98Å; E726-Y779 PolarHBondContact O-OH 3.26Å; Y779-F820 AromaticContact CD2-CD1 3.94Å; Y779-F820 HydrophobicContact CD2-CD1 3.94Å; Y779-F820 AromaticContact CD2-CE1 3.64Å; Y779-F820 HydrophobicContact CD2-CE1 3.64Å; Y779-F820 HydrophobicContact CD2-CE2 4.37Å; Y779-F820 HydrophobicContact CD2-CG 4.42Å; Y779-F820 AromaticContact CD2-CZ 3.87Å; Y779-F820 HydrophobicContact CD2-CZ 3.87Å; Y779-F820 HydrophobicContact CE2-CZ 4.32Å; Y779-F820 HydrophobicContact CG-CE1 4.17Å; Y779-V847 WeakPolarHBondContact O-CA 3.41Å; Y779-I848 HydrophobicContact CD1-CD1 3.67Å; Y779-I848 HydrophobicContact CD1-CG1 3.61Å; Y779-I848 HydrophobicContact CE1-CD1 3.57Å; Y779-I848 HydrophobicContact CE1-CG1 4.07Å; Y779-I848 HydrophobicContact CG-CG1 4.31Å; Y779-I848 WeakPolarHBondContact O-CG1 3.44Å; Y779-I848 PolarHBondContact O-N 3.4Å; Y779-E850 HydrophobicContact CD1-CB 3.64Å; Y779-E850 HydrophobicContact CE1-CB 4.22Å; Y779-E850 HydrophobicContact CG-CB 3.98Å; Y779-L852 HydrophobicContact CE1-CB 3.99Å; Y779-L852 VanDerWaalsContact OH-CB 3.31Å; Y779-L852 WeakPolarHBondContact OH-CB 3.41Å
780	L	98.8	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.6	-166.1	-56.8	175.1	0	0	0	111.2	V782 I795 L818 A819 L823 V834 V836 T846 V847	L780-V782 HydrophobicContact CB-CG2 4.32Å; L780-I795 HydrophobicContact CD1-CD1 3.93Å; L780-L818 WeakPolarHBondContact O-CA 3.34Å; L780-A819 HydrophobicContact CB-CB 4.35Å; L780-A819 WeakPolarHBondContact CB-O 3.46Å; L780-A819 HydrophobicContact CD1-CB 4.48Å; L780-A819 PolarHBondContact N-O 2.87Å; L780-A819 PolarHBondContact O-N 2.85Å; L780-L823 HydrophobicContact CD2-CD1 4.47Å; L780-V834 HydrophobicContact CD2-CG2 4.16Å; L780-V836 HydrophobicContact CD1-CG2 4.21Å; L780-T846 WeakPolarHBondContact CA-O 3.38Å; L780-V847 HydrophobicContact CD2-CB 4.41Å; L780-V847 HydrophobicContact CD2-CG2 3.68Å
781	S	98.6	Very high	98.1	Very high	19 Å²	19	52.5 Å²	52.5	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.4	152.9	168.2	0	0	0	0	108.5	Q816 A845 T846	S781-Q816 PolarHBondContact OG-OE1 2.84Å; S781-A845 CarbonylContact O-C 3.53Å; S781-A845 WeakPolarHBondContact O-CA 3.43Å; S781-A845 WeakPolarHBondContact O-CB 3.42Å; S781-T846 PolarHBondContact N-O 3Å; S781-T846 PolarHBondContact O-N 2.9Å
782	V	98.6	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.5	179.8	-172	0	0	0	0	109.2	L780 T784 P789 S817 A819 V836 N843 A845	L780-V782 HydrophobicContact CB-CG2 4.32Å; V782-T784 HydrophobicContact CG1-CG2 4.03Å; V782-T784 PolarHBondContact O-N 3.39Å; V782-P789 HydrophobicContact CG2-CG 4.43Å; V782-S817 PolarHBondContact N-O 3.46Å; V782-S817 WeakPolarHBondContact O-CB 3.42Å; V782-S817 PolarHBondContact O-N 3.41Å; V782-A819 HydrophobicContact CG2-CB 4.28Å; V782-V836 HydrophobicContact CG1-CB 4.03Å; V782-V836 HydrophobicContact CG1-CG2 4.34Å; V782-V836 HydrophobicContact CG2-CB 4.39Å; V782-V836 HydrophobicContact CG2-CG2 3.88Å; V782-N843 HydrophobicContact CG1-CB 4.07Å; V782-A845 HydrophobicContact CB-CB 4.36Å; V782-A845 HydrophobicContact CG1-CB 4.37Å; V782-A845 HydrophobicContact CG2-CB 3.95Å
783	R	96.6	Very high	98.2	Very high	202 Å²	202	45.6 Å²	45.6	76%	0.762	21%	0.213	S	C	*	.			trans	-85.3	111.6	179.2	-176.8	179.7	177	-177.4	-1	111	P844	R783-P844 PolarHBondContact N-O 2.9Å
784	T	97.4	Very high	98.2	Very high	33 Å²	33	43.4 Å²	43.4	20%	0.202	20%	0.201	C	C	.	.			trans	-123.6	169.4	-175.7	60.7	0	0	0	0	113	R516 V782 V787 S817 L838	R516-T784 PolarHBondContact NH2-OG1 3.2Å; V782-T784 HydrophobicContact CG1-CG2 4.03Å; V782-T784 PolarHBondContact O-N 3.39Å; T784-V787 WeakPolarHBondContact CB-O 3.46Å; T784-V787 VanDerWaalsContact CG2-O 3.3Å; T784-V787 WeakPolarHBondContact CG2-O 3.36Å; T784-V787 PolarHBondContact OG1-O 2.88Å; T784-S817 WeakPolarHBondContact CG2-OG 3.42Å; T784-S817 PolarHBondContact OG1-OG 2.72Å; T784-L838 HydrophobicContact CG2-CD1 3.78Å
785	D	94.3	Very high	98.3	Very high	96 Å²	96	34.3 Å²	34.3	51%	0.513	16%	0.162	S	C	.	.	S	Bend	trans	-117.6	-63.3	177.2	36.1	8	0	0	0	112.1	R516 K841	R516-D785 PolarHBondContact NH1-O 2.94Å; D785-K841 IonicContact OD1-NZ 3.63Å; D785-K841 PolarHBondContact OD1-NZ 3.16Å; D785-K841 IonicContact OD2-NZ 3.51Å; D785-K841 PolarHBondContact OD2-NZ 2.76Å
786	D	97.5	Very high	98.3	Very high	74 Å²	74	32.1 Å²	32.1	40%	0.396	15%	0.153	S	C	.	.	S	Bend	trans	-125.4	-4.4	-175.7	69.4	10.8	0	0	0	115.3	R515 R516	R515-D786 WeakPolarHBondContact CB-O 3.45Å; R515-D786 VanDerWaalsContact CD-CG 3.48Å; R515-D786 WeakPolarHBondContact CD-OD1 3.44Å; R515-D786 VanDerWaalsContact CD-OD2 3.27Å; R515-D786 WeakPolarHBondContact CD-OD2 3.34Å; R515-D786 IonicContact NE-OD1 2.83Å; R515-D786 IonicContact NE-OD2 3.33Å; R515-D786 PolarHBondContact NE-OD2 3.05Å; R516-D786 WeakPolarHBondContact CB-O 3.27Å; R516-D786 VanDerWaalsContact CG-O 3.25Å; R516-D786 WeakPolarHBondContact CG-O 3.26Å; R516-D786 PolarHBondContact N-O 3.12Å
787	V	98.5	Very high	98.3	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.073	15%	0.151	C	C	.	.			trans	-124.8	154.6	-176.3	60.3	0	0	0	0	110.8	F514 R515 R516 T784 L838	F514-V787 WeakPolarHBondContact O-CG2 3.49Å; R515-V787 HydrophobicContact CG-CB 4.32Å; R516-V787 PolarHBondContact NH2-O 2.94Å; T784-V787 WeakPolarHBondContact CB-O 3.46Å; T784-V787 VanDerWaalsContact CG2-O 3.3Å; T784-V787 WeakPolarHBondContact CG2-O 3.36Å; T784-V787 PolarHBondContact OG1-O 2.88Å; V787-L838 HydrophobicContact CG1-CB 3.9Å; V787-L838 HydrophobicContact CG1-CD1 3.89Å; V787-L838 HydrophobicContact CG2-CB 4.35Å; V787-L838 HydrophobicContact CG2-CD1 4.47Å
788	D	98.8	Very high	98.3	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.144	18%	0.183	C	C	.	.			trans	-123.5	147.9	171	-70	-66.8	0	0	0	109.6	R516 Y810 S817	R516-D788 WeakPolarHBondContact CG-OD2 3.15Å; R516-D788 IonicContact CZ-OD1 2.56Å; R516-D788 IonicContact CZ-OD2 2.86Å; R516-D788 IonicContact NE-OD1 3.72Å; R516-D788 IonicContact NE-OD2 3.44Å; R516-D788 PolarHBondContact NE-OD2 2.83Å; R516-D788 VanDerWaalsContact NH2-CG 3.31Å; R516-D788 IonicContact NH2-OD1 2.89Å; R516-D788 PolarHBondContact NH2-OD1 3.44Å; R516-D788 IonicContact NH2-OD2 2.65Å; R516-D788 PolarHBondContact NH2-OD2 2.68Å; D788-Y810 WeakPolarHBondContact OD1-CD2 3.45Å; D788-S817 WeakPolarHBondContact OD1-CB 3.36Å; D788-S817 PolarHBondContact OD1-OG 3.38Å
789	P	98.7	Very high	98.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	21%	0.206	C	C	.	.			trans	-63.7	141.8	167.2	28.7	-31.9	0	0	0	109.8	V782 E793 G808 A809 A819 L838	V782-P789 HydrophobicContact CG2-CG 4.43Å; P789-E793 WeakPolarHBondContact CA-OE1 3.35Å; P789-E793 WeakPolarHBondContact CB-OE2 3.16Å; P789-G808 CarbonylContact O-C 3.57Å; P789-G808 WeakPolarHBondContact O-CA 3.38Å; P789-A809 PolarHBondContact O-N 3.27Å; P789-A819 HydrophobicContact CB-CB 4.26Å; P789-A819 HydrophobicContact CG-CB 3.99Å; P789-L838 HydrophobicContact CB-CD2 4.03Å
790	E	98.6	Very high	98.2	Very high	38 Å²	38	46.9 Å²	46.9	18%	0.178	24%	0.238	C	C	.	.			trans	-111.8	-17.4	171.1	64.3	156.2	-172.7	0	0	113.7	Y154 R158 P463 K464 E793 S807 G808	Y154-E790 WeakPolarHBondContact CE2-OE1 3.49Å; Y154-E790 PolarHBondContact OH-OE1 3.21Å; R158-E790 IonicContact NH1-OE1 3.21Å; P463-E790 WeakPolarHBondContact CB-OE2 3.48Å; K464-E790 VanDerWaalsContact CE-OE2 3.28Å; K464-E790 WeakPolarHBondContact CE-OE2 3.35Å; K464-E790 IonicContact NZ-OE2 3.45Å; K464-E790 PolarHBondContact NZ-OE2 3.16Å; E790-E793 WeakPolarHBondContact CG-OE1 3.21Å; E790-E793 PolarHBondContact N-OE1 3.2Å; E790-S807 WeakPolarHBondContact O-CA 3.37Å; E790-G808 PolarHBondContact O-N 3.02Å
791	G	98.6	Very high	98.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	118.5	150.9	-171.8	0	0	0	0	0	113.1	E793 T805	G791-E793 VanDerWaalsContact C-N 3.32Å; G791-E793 WeakPolarHBondContact CA-OE2 3.44Å; G791-E793 PolarHBondContact N-OE1 3.01Å; G791-E793 PolarHBondContact N-OE2 3.47Å; G791-T805 WeakPolarHBondContact CA-OG1 3.28Å
792	N	98.8	Very high	98.2	Very high	44 Å²	44	50.2 Å²	50.2	24%	0.235	26%	0.257	C	S	.	.	S	Bend	trans	73.6	10.7	-175	-47.8	-85.3	0	0	0	115.6	I108 R158 W161 T805	I108-N792 HydrophobicContact CD1-CB 3.62Å; I108-N792 HydrophobicContact CG1-CB 4.21Å; R158-N792 WeakPolarHBondContact CA-O 3.49Å; R158-N792 HydrophobicContact CG-CB 4.41Å; W161-N792 HydrophobicContact CZ2-CB 4.1Å; W161-N792 PolarHBondContact NE1-O 2.62Å; N792-T805 WeakPolarHBondContact CA-O 3.49Å; N792-T805 PolarHBondContact N-O 2.89Å; N792-T805 PolarHBondContact N-OG1 3.32Å; N792-T805 VanDerWaalsContact N-OG1 3.09Å
793	E	98.9	Very high	98.2	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.037	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-79.8	150.2	173.3	-56.8	101.7	175.3	0	0	112	T157 P789 E790 G791 N804 T805 V836 L838	T157-E793 HydrophobicContact CG2-CB 4.44Å; T157-E793 HydrophobicContact CG2-CG 4.21Å; T157-E793 WeakPolarHBondContact OG1-CA 3.37Å; T157-E793 WeakPolarHBondContact OG1-CB 3.27Å; P789-E793 WeakPolarHBondContact CA-OE1 3.35Å; P789-E793 WeakPolarHBondContact CB-OE2 3.16Å; E790-E793 WeakPolarHBondContact CG-OE1 3.21Å; E790-E793 PolarHBondContact N-OE1 3.2Å; G791-E793 VanDerWaalsContact C-N 3.32Å; G791-E793 WeakPolarHBondContact CA-OE2 3.44Å; G791-E793 PolarHBondContact N-OE1 3.01Å; G791-E793 PolarHBondContact N-OE2 3.47Å; E793-N804 CarbonylContact O-C 3.41Å; E793-N804 WeakPolarHBondContact O-CA 3.22Å; E793-T805 HydrophobicContact CB-CG2 4.41Å; E793-T805 PolarHBondContact N-OG1 2.84Å; E793-T805 PolarHBondContact O-N 3.29Å; E793-T805 PolarHBondContact O-OG1 2.9Å; E793-T805 PolarHBondContact OE2-OG1 3.07Å; E793-V836 HydrophobicContact CB-CG1 4.19Å; E793-L838 HydrophobicContact CB-CD2 4.23Å; E793-L838 HydrophobicContact CG-CD2 3.75Å
794	T	98.9	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.1	-178.1	-64.7	0	0	0	0	111.7	T157 H160 W796 V801 E837	T157-T794 PolarHBondContact O-N 2.99Å; T157-T794 PolarHBondContact O-OG1 3.04Å; T157-T794 PolarHBondContact OG1-N 3.26Å; H160-T794 HydrophobicContact CB-CG2 3.9Å; H160-T794 WeakPolarHBondContact CB-OG1 3.48Å; T794-W796 HydrophobicContact CG2-CD2 4.23Å; T794-W796 HydrophobicContact CG2-CG 4.28Å; T794-W796 HydrophobicContact CG2-CZ2 4.26Å; T794-W796 VanDerWaalsContact CG2-NE1 3.33Å; T794-V801 HydrophobicContact CG2-CB 4.22Å; T794-V801 HydrophobicContact CG2-CG1 3.71Å; T794-V801 HydrophobicContact CG2-CG2 3.66Å; T794-E837 PolarHBondContact O-N 3.2Å
795	I	98.9	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.8	170.8	-48.7	170.7	0	0	0	109.4	L780 V802 G803 N804 T805 L823 V834 E835 V836	L780-I795 HydrophobicContact CD1-CD1 3.93Å; I795-V802 HydrophobicContact CG2-CG2 4.29Å; I795-V802 WeakPolarHBondContact O-CG2 3.47Å; I795-V802 PolarHBondContact O-N 3.16Å; I795-G803 PolarHBondContact N-O 3.28Å; I795-G803 PolarHBondContact O-N 3.46Å; I795-N804 VanDerWaalsContact CD1-C 3.4Å; I795-N804 WeakPolarHBondContact CD1-O 3.33Å; I795-T805 HydrophobicContact CD1-CG2 4.25Å; I795-T805 HydrophobicContact CG1-CG2 4.14Å; I795-L823 HydrophobicContact CB-CD2 4.38Å; I795-L823 HydrophobicContact CD1-CD2 4.21Å; I795-L823 HydrophobicContact CG2-CD2 3.9Å; I795-V834 HydrophobicContact CG2-CB 3.74Å; I795-V834 HydrophobicContact CG2-CG1 4.34Å; I795-V834 HydrophobicContact CG2-CG2 3.68Å; I795-E835 CarbonylContact C-O 3.48Å; I795-E835 WeakPolarHBondContact CA-O 3.42Å; I795-V836 HydrophobicContact CG1-CG2 4.41Å
796	W	98.9	Very high	98.6	Very high	31 Å²	31	36.6 Å²	36.6	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.2	-179.2	-61.5	85.9	0	0	0	111.8	H160 T794 G799 K800 V801 E835 E837 K842	H160-W796 HydrophobicContact CB-CZ2 4.37Å; H160-W796 AromaticContact CD2-CZ2 3.84Å; T794-W796 HydrophobicContact CG2-CD2 4.23Å; T794-W796 HydrophobicContact CG2-CG 4.28Å; T794-W796 HydrophobicContact CG2-CZ2 4.26Å; T794-W796 VanDerWaalsContact CG2-NE1 3.33Å; W796-G799 WeakPolarHBondContact CZ3-O 3.47Å; W796-K800 CarbonylContact C-O 3.45Å; W796-K800 VanDerWaalsContact CA-O 3.24Å; W796-K800 WeakPolarHBondContact CA-O 3.08Å; W796-V801 HydrophobicContact CD2-CG2 4.05Å; W796-V801 HydrophobicContact CE3-CG2 3.88Å; W796-V801 HydrophobicContact CH2-CG2 3.77Å; W796-V801 HydrophobicContact CZ2-CG2 3.95Å; W796-V801 HydrophobicContact CZ3-CG2 3.74Å; W796-E835 HydrophobicContact CB-CB 4.26Å; W796-E835 PolarHBondContact N-O 3.03Å; W796-E835 PolarHBondContact O-N 3.02Å; W796-E837 WeakPolarHBondContact CZ2-OE2 3.18Å; W796-E837 PolarHBondContact NE1-OE2 3.33Å; W796-K842 HydrophobicContact CB-CD 4.43Å; W796-K842 HydrophobicContact CD2-CD 4.39Å; W796-K842 VanDerWaalsContact CE2-CE 3.44Å; W796-K842 VanDerWaalsContact CE2-NZ 3.31Å; W796-K842 HydrophobicContact CG-CD 4.06Å
797	F	98.8	Very high	98.7	Very high	57 Å²	57	33.4 Å²	33.4	25%	0.25	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.3	167.2	-179.5	-115.1	0	0	0	109.5	G799 K800 V802 L827 Q833 V834	F797-G799 PolarHBondContact O-N 2.9Å; F797-K800 PolarHBondContact N-O 2.9Å; F797-K800 PolarHBondContact O-N 2.91Å; F797-V802 HydrophobicContact CB-CG1 3.88Å; F797-V802 HydrophobicContact CB-CG2 3.9Å; F797-L827 HydrophobicContact CB-CD1 3.9Å; F797-L827 HydrophobicContact CD1-CD1 3.74Å; F797-L827 HydrophobicContact CD1-CD2 3.74Å; F797-L827 HydrophobicContact CD1-CG 4.42Å; F797-L827 HydrophobicContact CE1-CD1 4.46Å; F797-L827 HydrophobicContact CE1-CD2 3.61Å; F797-L827 HydrophobicContact CE2-CD2 4.48Å; F797-L827 HydrophobicContact CG-CD1 3.88Å; F797-L827 HydrophobicContact CG-CD2 4.23Å; F797-L827 HydrophobicContact CZ-CD2 4.01Å; F797-Q833 WeakPolarHBondContact CD2-O 3.45Å; F797-V834 HydrophobicContact CB-CG1 4.49Å; F797-V834 HydrophobicContact CD2-CG1 4.5Å
798	N	98	Very high	98.7	Very high	132 Å²	132	33.5 Å²	33.5	71%	0.706	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	45.4	-178.2	-65.9	-17	0	0	0	113.7	K800	N798-K800 PolarHBondContact O-N 3.01Å
799	G	97.6	Very high	98.7	Very high	53 Å²	53	33.1 Å²	33.1	55%	0.546	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	1.5	178.9	0	0	0	0	0	115.9	W796 F797	W796-G799 WeakPolarHBondContact CZ3-O 3.47Å; F797-G799 PolarHBondContact O-N 2.9Å
800	K	98.4	Very high	98.7	Very high	155 Å²	155	35.1 Å²	35.1	67%	0.674	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.5	176.5	-62.6	-178.9	-178.5	179.5	0	111.2	W796 F797 N798	W796-K800 CarbonylContact C-O 3.45Å; W796-K800 VanDerWaalsContact CA-O 3.24Å; W796-K800 WeakPolarHBondContact CA-O 3.08Å; F797-K800 PolarHBondContact N-O 2.9Å; F797-K800 PolarHBondContact O-N 2.91Å; N798-K800 PolarHBondContact O-N 3.01Å
801	V	98.8	Very high	98.6	Very high	51 Å²	51	33.3 Å²	33.3	31%	0.309	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.5	165.6	-179.8	0	0	0	0	108.5	H160 W161 T794 W796	H160-V801 HydrophobicContact CB-CG2 4.16Å; W161-V801 HydrophobicContact CB-CG1 3.96Å; T794-V801 HydrophobicContact CG2-CB 4.22Å; T794-V801 HydrophobicContact CG2-CG1 3.71Å; T794-V801 HydrophobicContact CG2-CG2 3.66Å; W796-V801 HydrophobicContact CD2-CG2 4.05Å; W796-V801 HydrophobicContact CE3-CG2 3.88Å; W796-V801 HydrophobicContact CH2-CG2 3.77Å; W796-V801 HydrophobicContact CZ2-CG2 3.95Å; W796-V801 HydrophobicContact CZ3-CG2 3.74Å
802	V	98.8	Very high	98.6	Very high	39 Å²	39	35.4 Å²	35.4	24%	0.236	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-15.1	178.2	-67.8	0	0	0	0	113.5	I795 F797 L823 P824 L827	I795-V802 HydrophobicContact CG2-CG2 4.29Å; I795-V802 WeakPolarHBondContact O-CG2 3.47Å; I795-V802 PolarHBondContact O-N 3.16Å; F797-V802 HydrophobicContact CB-CG1 3.88Å; F797-V802 HydrophobicContact CB-CG2 3.9Å; V802-L823 HydrophobicContact CG2-CD2 3.83Å; V802-P824 HydrophobicContact CB-CG 4.19Å; V802-P824 WeakPolarHBondContact O-CD 3.36Å; V802-L827 HydrophobicContact CB-CD1 4.02Å; V802-L827 HydrophobicContact CG1-CD1 3.94Å; V802-L827 HydrophobicContact CG2-CD1 3.93Å
803	G	98.7	Very high	98.3	Very high	11 Å²	11	36.6 Å²	36.6	11%	0.113	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-160.5	176.8	0	0	0	0	0	112.5	I795 Y822	I795-G803 PolarHBondContact N-O 3.28Å; I795-G803 PolarHBondContact O-N 3.46Å; G803-Y822 WeakPolarHBondContact CA-O 3.4Å
804	N	98.9	Very high	98	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.6	-177.8	66.3	-76.9	0	0	0	111.5	W161 E793 I795 G821 Y822	W161-N804 HydrophobicContact CB-CB 4.34Å; W161-N804 HydrophobicContact CD2-CB 3.64Å; W161-N804 HydrophobicContact CE3-CB 4.27Å; W161-N804 HydrophobicContact CG-CB 3.69Å; W161-N804 HydrophobicContact CZ2-CB 4.16Å; E793-N804 CarbonylContact O-C 3.41Å; E793-N804 WeakPolarHBondContact O-CA 3.22Å; I795-N804 VanDerWaalsContact CD1-C 3.4Å; I795-N804 WeakPolarHBondContact CD1-O 3.33Å; N804-G821 CarbonylContact O-C 3.59Å; N804-G821 WeakPolarHBondContact O-CA 3.42Å; N804-Y822 PolarHBondContact O-N 3.1Å
805	T	98.9	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150.9	163.9	61.1	0	0	0	0	109.7	G791 N792 E793 I795 A819 F820 V836	G791-T805 WeakPolarHBondContact CA-OG1 3.28Å; N792-T805 WeakPolarHBondContact CA-O 3.49Å; N792-T805 PolarHBondContact N-O 2.89Å; N792-T805 PolarHBondContact N-OG1 3.32Å; N792-T805 VanDerWaalsContact N-OG1 3.09Å; E793-T805 HydrophobicContact CB-CG2 4.41Å; E793-T805 PolarHBondContact N-OG1 2.84Å; E793-T805 PolarHBondContact O-N 3.29Å; E793-T805 PolarHBondContact O-OG1 2.9Å; E793-T805 PolarHBondContact OE2-OG1 3.07Å; I795-T805 HydrophobicContact CD1-CG2 4.25Å; I795-T805 HydrophobicContact CG1-CG2 4.14Å; T805-A819 HydrophobicContact CG2-CB 3.96Å; T805-F820 CarbonylContact C-O 3.42Å; T805-F820 WeakPolarHBondContact CA-O 3.26Å; T805-F820 WeakPolarHBondContact CB-O 3.1Å; T805-V836 HydrophobicContact CG2-CG1 3.94Å; T805-V836 HydrophobicContact CG2-CG2 4.4Å
806	T	98.9	Very high	97.6	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-39.4	174.6	51.4	0	0	0	0	111.3	A734 E735 L777 F820 Y822	A734-T806 VanDerWaalsContact O-CB 3.28Å; A734-T806 WeakPolarHBondContact O-CB 3.47Å; A734-T806 WeakPolarHBondContact O-CG2 3.25Å; E735-T806 VanDerWaalsContact OE1-CB 3.26Å; E735-T806 WeakPolarHBondContact OE1-CB 3.42Å; E735-T806 PolarHBondContact OE1-OG1 2.93Å; L777-T806 HydrophobicContact CD1-CG2 3.92Å; T806-F820 PolarHBondContact N-O 3.21Å; T806-F820 WeakPolarHBondContact OG1-CB 3.42Å; T806-F820 PolarHBondContact OG1-O 2.84Å; T806-Y822 HydrophobicContact CG2-CD2 3.64Å; T806-Y822 HydrophobicContact CG2-CE2 3.78Å
807	S	98.8	Very high	97.6	Very high	8 Å²	8	46.7 Å²	46.7	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.5	169.4	64.6	0	0	0	0	111.4	R724 E735 E790 A819 F820	R724-S807 PolarHBondContact NH2-OG 3.21Å; E735-S807 VanDerWaalsContact CD-OG 3.3Å; E735-S807 VanDerWaalsContact OE1-CB 3.31Å; E735-S807 WeakPolarHBondContact OE1-CB 3.28Å; E735-S807 PolarHBondContact OE1-N 2.77Å; E735-S807 PolarHBondContact OE1-OG 3.18Å; E735-S807 PolarHBondContact OE2-OG 2.86Å; E790-S807 WeakPolarHBondContact O-CA 3.37Å; S807-A819 CarbonylContact O-C 3.46Å; S807-A819 VanDerWaalsContact O-CA 3.25Å; S807-A819 WeakPolarHBondContact O-CA 3.5Å; S807-F820 PolarHBondContact O-N 2.56Å
808	G	98.6	Very high	97.6	Very high	14 Å²	14	44.1 Å²	44.1	14%	0.144	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	167.5	173.7	0	0	0	0	0	113.7	L725 P789 E790 L818	L725-G808 VanDerWaalsContact CD1-C 3.44Å; P789-G808 CarbonylContact O-C 3.57Å; P789-G808 WeakPolarHBondContact O-CA 3.38Å; E790-G808 PolarHBondContact O-N 3.02Å; G808-L818 CarbonylContact C-O 3.54Å; G808-L818 WeakPolarHBondContact CA-O 3.47Å
809	A	98.3	Very high	97.7	Very high	18 Å²	18	37.8 Å²	37.8	15%	0.149	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	165.8	172.7	0	0	0	0	0	110.5	L725 P789 L818	L725-A809 HydrophobicContact CD1-CB 3.59Å; P789-A809 PolarHBondContact O-N 3.27Å; A809-L818 PolarHBondContact N-O 2.85Å; A809-L818 PolarHBondContact O-N 3.13Å
810	Y	98.8	Very high	97.7	Very high	44 Å²	44	35.3 Å²	35.3	17%	0.173	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.2	165.8	-166	-110.1	0	0	0	111.8	F520 S722 D788 Y812 Q815	F520-Y810 AromaticContact CE2-CD1 3.81Å; F520-Y810 HydrophobicContact CE2-CD1 3.81Å; F520-Y810 HydrophobicContact CE2-CD2 4.36Å; F520-Y810 HydrophobicContact CE2-CE1 4.43Å; F520-Y810 AromaticContact CE2-CG 3.74Å; F520-Y810 HydrophobicContact CE2-CG 3.74Å; F520-Y810 AromaticContact CZ-CD1 3.61Å; F520-Y810 HydrophobicContact CZ-CD1 3.61Å; F520-Y810 HydrophobicContact CZ-CD2 4.28Å; F520-Y810 AromaticContact CZ-CE1 3.78Å; F520-Y810 HydrophobicContact CZ-CE1 3.78Å; F520-Y810 HydrophobicContact CZ-CE2 4.43Å; F520-Y810 AromaticContact CZ-CG 3.86Å; F520-Y810 HydrophobicContact CZ-CG 3.86Å; S722-Y810 PolarHBondContact OG-O 3.02Å; D788-Y810 WeakPolarHBondContact OD1-CD2 3.45Å; Y810-Y812 AromaticContact CD1-CD1 3.6Å; Y810-Y812 HydrophobicContact CD1-CD1 3.6Å; Y810-Y812 HydrophobicContact CD1-CD2 4.33Å; Y810-Y812 AromaticContact CD1-CE1 3.68Å; Y810-Y812 HydrophobicContact CD1-CE1 3.68Å; Y810-Y812 HydrophobicContact CD1-CE2 4.39Å; Y810-Y812 AromaticContact CD1-CG 3.95Å; Y810-Y812 HydrophobicContact CD1-CG 3.95Å; Y810-Y812 AromaticContact CE1-CD1 3.95Å; Y810-Y812 HydrophobicContact CE1-CD1 3.95Å; Y810-Y812 HydrophobicContact CE1-CE1 4.29Å; Y810-Y812 HydrophobicContact CE1-CG 4.46Å; Y810-Q815 VanDerWaalsContact OH-CA 3.31Å; Y810-Q815 WeakPolarHBondContact OH-CA 3.36Å
811	S	97.9	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	106.9	166.9	168.6	0	0	0	0	109.4	E726 S813 S814 Q815 Q816	E726-S811 WeakPolarHBondContact OE1-CB 3.5Å; E726-S811 PolarHBondContact OE1-OG 3Å; S811-S813 VanDerWaalsContact C-N 3.27Å; S811-S813 PolarHBondContact O-N 3Å; S811-S813 PolarHBondContact OG-OG 3.43Å; S811-S814 VanDerWaalsContact CB-OG 3.27Å; S811-S814 WeakPolarHBondContact CB-OG 3.34Å; S811-S814 PolarHBondContact O-N 2.98Å; S811-S814 PolarHBondContact OG-N 2.8Å; S811-S814 PolarHBondContact OG-OG 3.5Å; S811-Q815 WeakPolarHBondContact O-CA 3.48Å; S811-Q815 PolarHBondContact O-N 2.81Å; S811-Q816 WeakPolarHBondContact CB-O 3.42Å; S811-Q816 PolarHBondContact N-O 2.93Å
812	Y	97.8	Very high	97.7	Very high	45 Å²	45	25.9 Å²	25.9	18%	0.176	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.8	177.7	-60	-86.8	0	0	0	112.8	F520 V523 C527 S722 Y810	F520-Y812 HydrophobicContact CD2-CE1 4.32Å; F520-Y812 WeakPolarHBondContact CD2-OH 3.2Å; F520-Y812 HydrophobicContact CE1-CE1 4.44Å; F520-Y812 HydrophobicContact CE2-CE1 4.06Å; F520-Y812 HydrophobicContact CZ-CE1 4.12Å; F520-Y812 WeakPolarHBondContact O-CE1 3.34Å; F520-Y812 PolarHBondContact O-OH 3.31Å; V523-Y812 HydrophobicContact CG1-CE2 3.77Å; C527-Y812 HydrophobicContact CB-CD2 4.03Å; C527-Y812 HydrophobicContact CB-CG 4.48Å; S722-Y812 WeakPolarHBondContact OG-CD2 3.37Å; Y810-Y812 AromaticContact CD1-CD1 3.6Å; Y810-Y812 HydrophobicContact CD1-CD1 3.6Å; Y810-Y812 HydrophobicContact CD1-CD2 4.33Å; Y810-Y812 AromaticContact CD1-CE1 3.68Å; Y810-Y812 HydrophobicContact CD1-CE1 3.68Å; Y810-Y812 HydrophobicContact CD1-CE2 4.39Å; Y810-Y812 AromaticContact CD1-CG 3.95Å; Y810-Y812 HydrophobicContact CD1-CG 3.95Å; Y810-Y812 AromaticContact CE1-CD1 3.95Å; Y810-Y812 HydrophobicContact CE1-CD1 3.95Å; Y810-Y812 HydrophobicContact CE1-CE1 4.29Å; Y810-Y812 HydrophobicContact CE1-CG 4.46Å
813	S	93.1	Very high	97.7	Very high	70 Å²	70	24.1 Å²	24.1	49%	0.49	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-28.8	176.6	69.8	0	0	0	0	113.5	E726 S811	E726-S813 WeakPolarHBondContact OE1-CB 3.44Å; E726-S813 PolarHBondContact OE1-N 3.42Å; E726-S813 PolarHBondContact OE1-OG 3.29Å; E726-S813 PolarHBondContact OE2-OG 2.88Å; S811-S813 VanDerWaalsContact C-N 3.27Å; S811-S813 PolarHBondContact O-N 3Å; S811-S813 PolarHBondContact OG-OG 3.43Å
814	S	92	Very high	97.7	Very high	43 Å²	43	24.9 Å²	24.9	30%	0.301	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-0.7	-175.6	69.5	0	0	0	0	115.2	S811 Q816 L852	S811-S814 VanDerWaalsContact CB-OG 3.27Å; S811-S814 WeakPolarHBondContact CB-OG 3.34Å; S811-S814 PolarHBondContact O-N 2.98Å; S811-S814 PolarHBondContact OG-N 2.8Å; S811-S814 PolarHBondContact OG-OG 3.5Å; S814-Q816 PolarHBondContact O-N 2.63Å; S814-Q816 WeakPolarHBondContact OG-CG 3.07Å; S814-Q816 PolarHBondContact OG-NE2 2.97Å; S814-L852 WeakPolarHBondContact OG-CD2 3.37Å
815	Q	95.1	Very high	97.7	Very high	155 Å²	155	27.3 Å²	27.3	72%	0.724	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	42.5	174.7	-57.5	-171.1	-22.8	0	0	114.6	Y810 S811	Y810-Q815 VanDerWaalsContact OH-CA 3.31Å; Y810-Q815 WeakPolarHBondContact OH-CA 3.36Å; S811-Q815 WeakPolarHBondContact O-CA 3.48Å; S811-Q815 PolarHBondContact O-N 2.81Å
816	Q	95.1	Very high	97.7	Very high	53 Å²	53	33.9 Å²	33.9	25%	0.248	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.2	177	69.8	-162.9	-40.6	0	0	110.5	S781 S811 S814 L818	S781-Q816 PolarHBondContact OG-OE1 2.84Å; S811-Q816 WeakPolarHBondContact CB-O 3.42Å; S811-Q816 PolarHBondContact N-O 2.93Å; S814-Q816 PolarHBondContact O-N 2.63Å; S814-Q816 WeakPolarHBondContact OG-CG 3.07Å; S814-Q816 PolarHBondContact OG-NE2 2.97Å; Q816-L818 HydrophobicContact CG-CD2 4.19Å
817	S	98.7	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.1	169.6	-52.9	0	0	0	0	110.5	V782 T784 D788	V782-S817 PolarHBondContact N-O 3.46Å; V782-S817 WeakPolarHBondContact O-CB 3.42Å; V782-S817 PolarHBondContact O-N 3.41Å; T784-S817 WeakPolarHBondContact CG2-OG 3.42Å; T784-S817 PolarHBondContact OG1-OG 2.72Å; D788-S817 WeakPolarHBondContact OD1-CB 3.36Å; D788-S817 PolarHBondContact OD1-OG 3.38Å
818	L	98.8	Very high	97.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.5	173.9	-62.2	178.8	0	0	0	110.2	E726 L780 G808 A809 Q816 I848 L852	E726-L818 HydrophobicContact CG-CD1 4.09Å; L780-L818 WeakPolarHBondContact O-CA 3.34Å; G808-L818 CarbonylContact C-O 3.54Å; G808-L818 WeakPolarHBondContact CA-O 3.47Å; A809-L818 PolarHBondContact N-O 2.85Å; A809-L818 PolarHBondContact O-N 3.13Å; Q816-L818 HydrophobicContact CG-CD2 4.19Å; L818-I848 HydrophobicContact CD2-CD1 4.05Å; L818-L852 HydrophobicContact CD1-CD2 3.95Å; L818-L852 HydrophobicContact CD2-CD2 4.17Å
819	A	98.9	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.7	168.5	0	0	0	0	0	111.6	L780 V782 P789 T805 S807	L780-A819 HydrophobicContact CB-CB 4.35Å; L780-A819 WeakPolarHBondContact CB-O 3.46Å; L780-A819 HydrophobicContact CD1-CB 4.48Å; L780-A819 PolarHBondContact N-O 2.87Å; L780-A819 PolarHBondContact O-N 2.85Å; V782-A819 HydrophobicContact CG2-CB 4.28Å; P789-A819 HydrophobicContact CB-CB 4.26Å; P789-A819 HydrophobicContact CG-CB 3.99Å; T805-A819 HydrophobicContact CG2-CB 3.96Å; S807-A819 CarbonylContact O-C 3.46Å; S807-A819 VanDerWaalsContact O-CA 3.25Å; S807-A819 WeakPolarHBondContact O-CA 3.5Å
820	F	98.9	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	149.5	154.1	-86.2	-61.6	0	0	0	109.1	L725 E735 L777 S778 Y779 T805 T806 S807 E850	L725-F820 HydrophobicContact CD2-CD2 3.53Å; L725-F820 HydrophobicContact CD2-CE2 3.93Å; L725-F820 HydrophobicContact CD2-CG 4.49Å; E735-F820 HydrophobicContact CG-CB 3.9Å; E735-F820 HydrophobicContact CG-CD2 3.73Å; E735-F820 HydrophobicContact CG-CE2 4.41Å; E735-F820 HydrophobicContact CG-CG 3.87Å; L777-F820 HydrophobicContact CD1-CB 4.17Å; L777-F820 HydrophobicContact CD1-CD1 4.49Å; L777-F820 HydrophobicContact CD2-CD1 3.75Å; L777-F820 HydrophobicContact CD2-CE1 4.05Å; L777-F820 HydrophobicContact CD2-CG 4.19Å; L777-F820 HydrophobicContact CG-CB 4.45Å; L777-F820 HydrophobicContact CG-CD1 3.87Å; L777-F820 HydrophobicContact CG-CG 4.42Å; S778-F820 WeakPolarHBondContact O-CA 3.27Å; Y779-F820 AromaticContact CD2-CD1 3.94Å; Y779-F820 HydrophobicContact CD2-CD1 3.94Å; Y779-F820 AromaticContact CD2-CE1 3.64Å; Y779-F820 HydrophobicContact CD2-CE1 3.64Å; Y779-F820 HydrophobicContact CD2-CE2 4.37Å; Y779-F820 HydrophobicContact CD2-CG 4.42Å; Y779-F820 AromaticContact CD2-CZ 3.87Å; Y779-F820 HydrophobicContact CD2-CZ 3.87Å; Y779-F820 HydrophobicContact CE2-CZ 4.32Å; Y779-F820 HydrophobicContact CG-CE1 4.17Å; T805-F820 CarbonylContact C-O 3.42Å; T805-F820 WeakPolarHBondContact CA-O 3.26Å; T805-F820 WeakPolarHBondContact CB-O 3.1Å; T806-F820 PolarHBondContact N-O 3.21Å; T806-F820 WeakPolarHBondContact OG1-CB 3.42Å; T806-F820 PolarHBondContact OG1-O 2.84Å; S807-F820 PolarHBondContact O-N 2.56Å; F820-E850 WeakPolarHBondContact CE1-OE2 3.34Å
821	G	98.8	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	150.2	173	0	0	0	0	0	113.6	S778 N804	S778-G821 PolarHBondContact N-O 2.77Å; S778-G821 PolarHBondContact O-N 2.76Å; N804-G821 CarbonylContact O-C 3.59Å; N804-G821 WeakPolarHBondContact O-CA 3.42Å
822	Y	98.9	Very high	97.6	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.035	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.5	177.2	-82.7	-78.8	0	0	0	110.9	E735 T740 E744 A745 R775 L777 G803 N804 T806	E735-Y822 WeakPolarHBondContact O-CE2 3.37Å; E735-Y822 PolarHBondContact O-OH 2.89Å; T740-Y822 HydrophobicContact CG2-CE2 3.93Å; T740-Y822 WeakPolarHBondContact CG2-OH 3.39Å; E744-Y822 HydrophobicContact CB-CE1 4.1Å; E744-Y822 HydrophobicContact CG-CE1 3.85Å; A745-Y822 WeakPolarHBondContact CA-OH 3.41Å; R775-Y822 HydrophobicContact CB-CD1 4.46Å; R775-Y822 HydrophobicContact CG-CD1 3.93Å; L777-Y822 HydrophobicContact CB-CD1 4.32Å; L777-Y822 HydrophobicContact CB-CE1 3.9Å; L777-Y822 HydrophobicContact CD1-CD2 3.91Å; L777-Y822 HydrophobicContact CD1-CE1 4.36Å; L777-Y822 HydrophobicContact CD1-CE2 3.67Å; L777-Y822 HydrophobicContact CD1-CG 4.34Å; G803-Y822 WeakPolarHBondContact CA-O 3.4Å; N804-Y822 PolarHBondContact O-N 3.1Å; T806-Y822 HydrophobicContact CG2-CD2 3.64Å; T806-Y822 HydrophobicContact CG2-CE2 3.78Å
823	L	98.9	Very high	97.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.3	176.3	-72.3	179.4	0	0	0	111.6	R775 K776 L780 I795 V802 L827 C828 V834 V847	R775-L823 CarbonylContact C-O 3.56Å; R775-L823 WeakPolarHBondContact CA-O 3.3Å; R775-L823 VanDerWaalsContact CB-O 3.28Å; R775-L823 WeakPolarHBondContact CB-O 3.33Å; K776-L823 PolarHBondContact N-O 3.44Å; K776-L823 PolarHBondContact O-N 2.77Å; L780-L823 HydrophobicContact CD2-CD1 4.47Å; I795-L823 HydrophobicContact CB-CD2 4.38Å; I795-L823 HydrophobicContact CD1-CD2 4.21Å; I795-L823 HydrophobicContact CG2-CD2 3.9Å; V802-L823 HydrophobicContact CG2-CD2 3.83Å; L823-L827 HydrophobicContact CB-CB 4.33Å; L823-L827 HydrophobicContact CD1-CB 4.34Å; L823-C828 PolarHBondContact O-SG 3.39Å; L823-V834 HydrophobicContact CD1-CG1 4.27Å; L823-V834 HydrophobicContact CD2-CG1 4.42Å; L823-V847 HydrophobicContact CD1-CG2 3.85Å
824	P	98.7	Very high	97.9	Very high	26 Å²	26	42.7 Å²	42.7	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	145.9	165.6	-20.7	34.1	0	0	0	110.7	V802 E826 L827 C828	V802-P824 HydrophobicContact CB-CG 4.19Å; V802-P824 WeakPolarHBondContact O-CD 3.36Å; P824-E826 VanDerWaalsContact CB-CD 3.46Å; P824-E826 HydrophobicContact CB-CG 4.43Å; P824-E826 WeakPolarHBondContact CB-OE1 3.27Å; P824-E826 WeakPolarHBondContact CB-OE2 3.36Å; P824-E826 PolarHBondContact O-N 3.44Å; P824-E826 VanDerWaalsContact O-N 3.13Å; P824-L827 HydrophobicContact CG-CD1 4.45Å; P824-L827 WeakPolarHBondContact O-CA 3.33Å; P824-L827 PolarHBondContact O-N 3.44Å; P824-C828 PolarHBondContact O-N 2.82Å; P824-C828 PolarHBondContact O-SG 2.85Å
825	L	98.1	Very high	98.2	Very high	73 Å²	73	43.8 Å²	43.8	38%	0.382	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56	-35.9	-172.1	-68.9	-170.1	0	0	0	114	L773 K774 K776 L827 C828	L773-L825 HydrophobicContact CB-CD1 4.17Å; L773-L825 HydrophobicContact CB-CD2 4.16Å; L773-L825 WeakPolarHBondContact O-CD1 3.44Å; K774-L825 PolarHBondContact O-N 3.19Å; K776-L825 HydrophobicContact CB-CD2 3.82Å; L825-L827 PolarHBondContact O-N 3.11Å; L825-C828 WeakPolarHBondContact O-CB 3.41Å; L825-C828 PolarHBondContact O-N 3.31Å; L825-C828 VanDerWaalsContact O-N 3.16Å
826	E	97.9	Very high	98.4	Very high	139 Å²	139	36.4 Å²	36.4	65%	0.65	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64.4	-18	177	66.1	-84.7	-158.4	0	0	113.7	P824	P824-E826 VanDerWaalsContact CB-CD 3.46Å; P824-E826 HydrophobicContact CB-CG 4.43Å; P824-E826 WeakPolarHBondContact CB-OE1 3.27Å; P824-E826 WeakPolarHBondContact CB-OE2 3.36Å; P824-E826 PolarHBondContact O-N 3.44Å; P824-E826 VanDerWaalsContact O-N 3.13Å
827	L	98.6	Very high	98.6	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.052	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-104.9	1.2	175.8	-55.6	-175.4	0	0	0	113.6	F797 V802 L823 P824 L825 S829 Q832	F797-L827 HydrophobicContact CB-CD1 3.9Å; F797-L827 HydrophobicContact CD1-CD1 3.74Å; F797-L827 HydrophobicContact CD1-CD2 3.74Å; F797-L827 HydrophobicContact CD1-CG 4.42Å; F797-L827 HydrophobicContact CE1-CD1 4.46Å; F797-L827 HydrophobicContact CE1-CD2 3.61Å; F797-L827 HydrophobicContact CE2-CD2 4.48Å; F797-L827 HydrophobicContact CG-CD1 3.88Å; F797-L827 HydrophobicContact CG-CD2 4.23Å; F797-L827 HydrophobicContact CZ-CD2 4.01Å; V802-L827 HydrophobicContact CB-CD1 4.02Å; V802-L827 HydrophobicContact CG1-CD1 3.94Å; V802-L827 HydrophobicContact CG2-CD1 3.93Å; L823-L827 HydrophobicContact CB-CB 4.33Å; L823-L827 HydrophobicContact CD1-CB 4.34Å; P824-L827 HydrophobicContact CG-CD1 4.45Å; P824-L827 WeakPolarHBondContact O-CA 3.33Å; P824-L827 PolarHBondContact O-N 3.44Å; L825-L827 PolarHBondContact O-N 3.11Å; L827-S829 VanDerWaalsContact C-N 3.27Å; L827-S829 PolarHBondContact O-N 3.09Å; L827-Q832 HydrophobicContact CB-CG 4.24Å; L827-Q832 HydrophobicContact CD2-CG 4.33Å; L827-Q832 WeakPolarHBondContact O-CG 3.31Å
828	C	97.8	Very high	98.6	Very high	30 Å²	30	34.6 Å²	34.6	20%	0.203	20%	0.195	C	C	.	.			trans	-83.5	10.1	-178.8	-64.3	0	0	0	0	114.6	S778 L823 P824 L825	S778-C828 PolarHBondContact OG-SG 3.03Å; S778-C828 VanDerWaalsContact OG-SG 3.35Å; L823-C828 PolarHBondContact O-SG 3.39Å; P824-C828 PolarHBondContact O-N 2.82Å; P824-C828 PolarHBondContact O-SG 2.85Å; L825-C828 WeakPolarHBondContact O-CB 3.41Å; L825-C828 PolarHBondContact O-N 3.31Å; L825-C828 VanDerWaalsContact O-N 3.16Å
829	S	97.6	Very high	98.6	Very high	72 Å²	72	35.5 Å²	35.5	50%	0.503	20%	0.2	S	C	.	.	S	Bend	trans	-84	136.6	-175.5	-64.9	0	0	0	0	112.4	L827 G831 Q832 V847	L827-S829 VanDerWaalsContact C-N 3.27Å; L827-S829 PolarHBondContact O-N 3.09Å; S829-G831 PolarHBondContact O-N 2.94Å; S829-Q832 WeakPolarHBondContact O-CB 3.48Å; S829-Q832 PolarHBondContact O-N 3.27Å; S829-V847 WeakPolarHBondContact O-CB 3.28Å
830	V	98.5	Very high	98.5	Very high	90 Å²	90	37.7 Å²	37.7	55%	0.545	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.6	176.2	178.8	0	0	0	0	110.5	V847 Q849	V830-V847 WeakPolarHBondContact CA-O 3.41Å; V830-Q849 HydrophobicContact CG1-CB 4.41Å; V830-Q849 HydrophobicContact CG2-CB 4.27Å
831	G	98.4	Very high	98.5	Very high	44 Å²	44	41.9 Å²	41.9	45%	0.454	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-14.4	-172	0	0	0	0	0	114.3	S829 Q833 V847	S829-G831 PolarHBondContact O-N 2.94Å; G831-Q833 PolarHBondContact O-N 3.38Å; G831-Q833 PolarHBondContact O-NE2 2.7Å; G831-V847 PolarHBondContact N-O 2.72Å
832	Q	98.8	Very high	98.5	Very high	47 Å²	47	45.5 Å²	45.5	22%	0.22	26%	0.257	C	S	.	.			trans	-58.2	134.4	176.8	179.7	59.4	45.9	0	0	111.1	L827 S829 V834 T846 V847	L827-Q832 HydrophobicContact CB-CG 4.24Å; L827-Q832 HydrophobicContact CD2-CG 4.33Å; L827-Q832 WeakPolarHBondContact O-CG 3.31Å; S829-Q832 WeakPolarHBondContact O-CB 3.48Å; S829-Q832 PolarHBondContact O-N 3.27Å; Q832-V834 HydrophobicContact CG-CG1 4.48Å; Q832-T846 WeakPolarHBondContact O-CA 3.5Å; Q832-V847 HydrophobicContact CB-CB 4.23Å; Q832-V847 HydrophobicContact CB-CG2 4.01Å; Q832-V847 PolarHBondContact O-N 2.68Å
833	Q	98.7	Very high	98.5	Very high	96 Å²	96	45.1 Å²	45.1	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.7	175.9	-58.2	-57.7	-65	0	0	110.7	F797 G831 A845 T846	F797-Q833 WeakPolarHBondContact CD2-O 3.45Å; G831-Q833 PolarHBondContact O-N 3.38Å; G831-Q833 PolarHBondContact O-NE2 2.7Å; Q833-A845 WeakPolarHBondContact CA-O 3.47Å; Q833-T846 PolarHBondContact NE2-OG1 3.27Å; Q833-T846 PolarHBondContact OE1-OG1 3.4Å
834	V	98.9	Very high	98.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	175.4	171.3	-63.4	0	0	0	0	108.7	L780 I795 F797 L823 Q832 A845	L780-V834 HydrophobicContact CD2-CG2 4.16Å; I795-V834 HydrophobicContact CG2-CB 3.74Å; I795-V834 HydrophobicContact CG2-CG1 4.34Å; I795-V834 HydrophobicContact CG2-CG2 3.68Å; F797-V834 HydrophobicContact CB-CG1 4.49Å; F797-V834 HydrophobicContact CD2-CG1 4.5Å; L823-V834 HydrophobicContact CD1-CG1 4.27Å; L823-V834 HydrophobicContact CD2-CG1 4.42Å; Q832-V834 HydrophobicContact CG-CG1 4.48Å; V834-A845 HydrophobicContact CG2-CB 4.01Å; V834-A845 PolarHBondContact N-O 3.02Å; V834-A845 PolarHBondContact O-N 2.89Å; V834-A845 VanDerWaalsContact O-O 3.07Å
835	E	98.9	Very high	98.5	Very high	65 Å²	65	47.4 Å²	47.4	30%	0.304	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.1	174.2	-41	170.4	94	0	0	110.2	I795 W796 K842 N843	I795-E835 CarbonylContact C-O 3.48Å; I795-E835 WeakPolarHBondContact CA-O 3.42Å; W796-E835 HydrophobicContact CB-CB 4.26Å; W796-E835 PolarHBondContact N-O 3.03Å; W796-E835 PolarHBondContact O-N 3.02Å; E835-K842 HydrophobicContact CB-CB 4Å; E835-N843 CarbonylContact C-O 3.56Å; E835-N843 WeakPolarHBondContact CA-O 3.38Å
836	V	98.9	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.9	172.8	-179.8	0	0	0	0	109	L780 V782 E793 I795 T805 L838 N843 A845	L780-V836 HydrophobicContact CD1-CG2 4.21Å; V782-V836 HydrophobicContact CG1-CB 4.03Å; V782-V836 HydrophobicContact CG1-CG2 4.34Å; V782-V836 HydrophobicContact CG2-CB 4.39Å; V782-V836 HydrophobicContact CG2-CG2 3.88Å; E793-V836 HydrophobicContact CB-CG1 4.19Å; I795-V836 HydrophobicContact CG1-CG2 4.41Å; T805-V836 HydrophobicContact CG2-CG1 3.94Å; T805-V836 HydrophobicContact CG2-CG2 4.4Å; V836-L838 HydrophobicContact CG1-CD2 3.87Å; V836-L838 HydrophobicContact CG1-CG 4.28Å; V836-L838 PolarHBondContact O-N 3.03Å; V836-N843 PolarHBondContact N-O 2.97Å; V836-N843 WeakPolarHBondContact O-CB 3.33Å; V836-N843 PolarHBondContact O-N 2.95Å; V836-N843 PolarHBondContact O-ND2 2.85Å; V836-A845 HydrophobicContact CG2-CB 3.81Å
837	E	98.9	Very high	98.5	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.7	-179.3	-173.9	-170.4	144.5	0	0	111.4	T157 H160 T794 W796 K841 K842	T157-E837 VanDerWaalsContact CB-O 3.32Å; T157-E837 WeakPolarHBondContact CB-O 3.09Å; T157-E837 PolarHBondContact OG1-O 2.92Å; H160-E837 IonicContact CD2-OE1 2.89Å; H160-E837 IonicContact CD2-OE2 3.83Å; T794-E837 PolarHBondContact O-N 3.2Å; W796-E837 WeakPolarHBondContact CZ2-OE2 3.18Å; W796-E837 PolarHBondContact NE1-OE2 3.33Å; E837-K841 CarbonylContact C-O 3.52Å; E837-K841 WeakPolarHBondContact CA-O 3.3Å; E837-K842 HydrophobicContact CB-CG 4.5Å
838	L	98.9	Very high	98.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.9	174.5	-52	178.5	0	0	0	108.1	T784 V787 P789 E793 V836 G840 K841 N843	T784-L838 HydrophobicContact CG2-CD1 3.78Å; V787-L838 HydrophobicContact CG1-CB 3.9Å; V787-L838 HydrophobicContact CG1-CD1 3.89Å; V787-L838 HydrophobicContact CG2-CB 4.35Å; V787-L838 HydrophobicContact CG2-CD1 4.47Å; P789-L838 HydrophobicContact CB-CD2 4.03Å; E793-L838 HydrophobicContact CB-CD2 4.23Å; E793-L838 HydrophobicContact CG-CD2 3.75Å; V836-L838 HydrophobicContact CG1-CD2 3.87Å; V836-L838 HydrophobicContact CG1-CG 4.28Å; V836-L838 PolarHBondContact O-N 3.03Å; L838-G840 VanDerWaalsContact C-N 3.3Å; L838-G840 PolarHBondContact O-N 3.45Å; L838-K841 PolarHBondContact N-O 2.78Å; L838-K841 WeakPolarHBondContact O-CB 3.41Å; L838-K841 PolarHBondContact O-N 2.76Å; L838-N843 WeakPolarHBondContact CB-ND2 3.29Å
839	L	98.4	Very high	98.6	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.11	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	48	-178.1	-50.1	-177.4	0	0	0	113.6	K153 F514 R515 K841	K153-L839 HydrophobicContact CB-CB 4.46Å; K153-L839 WeakPolarHBondContact CD-O 3.44Å; F514-L839 HydrophobicContact CB-CD1 3.81Å; F514-L839 HydrophobicContact CB-CD2 3.86Å; F514-L839 HydrophobicContact CB-CG 4.48Å; F514-L839 HydrophobicContact CD1-CD2 4.33Å; F514-L839 HydrophobicContact CG-CD2 4.34Å; R515-L839 HydrophobicContact CG-CD1 4.02Å; L839-K841 PolarHBondContact O-N 3.13Å; L839-K841 VanDerWaalsContact O-N 3.17Å
840	G	97.6	Very high	98.4	Very high	47 Å²	47	44.7 Å²	44.7	49%	0.485	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-1.5	178.8	0	0	0	0	0	115.3	L838	L838-G840 VanDerWaalsContact C-N 3.3Å; L838-G840 PolarHBondContact O-N 3.45Å
841	K	98.5	Very high	98.4	Very high	88 Å²	88	42.7 Å²	42.7	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.6	172.8	177.5	-171.4	170	-150.9	0	109	D785 E837 L838 L839 N843	D785-K841 IonicContact OD1-NZ 3.63Å; D785-K841 PolarHBondContact OD1-NZ 3.16Å; D785-K841 IonicContact OD2-NZ 3.51Å; D785-K841 PolarHBondContact OD2-NZ 2.76Å; E837-K841 CarbonylContact C-O 3.52Å; E837-K841 WeakPolarHBondContact CA-O 3.3Å; L838-K841 PolarHBondContact N-O 2.78Å; L838-K841 WeakPolarHBondContact O-CB 3.41Å; L838-K841 PolarHBondContact O-N 2.76Å; L839-K841 PolarHBondContact O-N 3.13Å; L839-K841 VanDerWaalsContact O-N 3.17Å; K841-N843 WeakPolarHBondContact CD-OD1 3.49Å; K841-N843 WeakPolarHBondContact CE-OD1 3.44Å; K841-N843 PolarHBondContact NZ-OD1 2.92Å; K841-N843 PolarHBondContact O-ND2 3.16Å
842	K	98.5	Very high	98.3	Very high	75 Å²	75	43.5 Å²	43.5	33%	0.326	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	117.9	172.8	-63.2	-169.6	-177.4	-173.2	0	109.5	W796 E835 E837	W796-K842 HydrophobicContact CB-CD 4.43Å; W796-K842 HydrophobicContact CD2-CD 4.39Å; W796-K842 VanDerWaalsContact CE2-CE 3.44Å; W796-K842 VanDerWaalsContact CE2-NZ 3.31Å; W796-K842 HydrophobicContact CG-CD 4.06Å; E835-K842 HydrophobicContact CB-CB 4Å; E837-K842 HydrophobicContact CB-CG 4.5Å
843	N	98.7	Very high	98.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.2	-175.8	-60.8	-78.9	0	0	0	109.5	V782 E835 V836 L838 K841 A845	V782-N843 HydrophobicContact CG1-CB 4.07Å; E835-N843 CarbonylContact C-O 3.56Å; E835-N843 WeakPolarHBondContact CA-O 3.38Å; V836-N843 PolarHBondContact N-O 2.97Å; V836-N843 WeakPolarHBondContact O-CB 3.33Å; V836-N843 PolarHBondContact O-N 2.95Å; V836-N843 PolarHBondContact O-ND2 2.85Å; L838-N843 WeakPolarHBondContact CB-ND2 3.29Å; K841-N843 WeakPolarHBondContact CD-OD1 3.49Å; K841-N843 WeakPolarHBondContact CE-OD1 3.44Å; K841-N843 PolarHBondContact NZ-OD1 2.92Å; K841-N843 PolarHBondContact O-ND2 3.16Å; N843-A845 PolarHBondContact O-N 3.18Å
844	P	98.6	Very high	98.2	Very high	76 Å²	76	41.6 Å²	41.6	49%	0.494	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	134.1	178.3	-26.7	35.3	0	0	0	112.3	R783	R783-P844 PolarHBondContact N-O 2.9Å
845	A	98.8	Very high	98.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.7	-179.8	0	0	0	0	0	111.3	S781 V782 Q833 V834 V836 N843	S781-A845 CarbonylContact O-C 3.53Å; S781-A845 WeakPolarHBondContact O-CA 3.43Å; S781-A845 WeakPolarHBondContact O-CB 3.42Å; V782-A845 HydrophobicContact CB-CB 4.36Å; V782-A845 HydrophobicContact CG1-CB 4.37Å; V782-A845 HydrophobicContact CG2-CB 3.95Å; Q833-A845 WeakPolarHBondContact CA-O 3.47Å; V834-A845 HydrophobicContact CG2-CB 4.01Å; V834-A845 PolarHBondContact N-O 3.02Å; V834-A845 PolarHBondContact O-N 2.89Å; V834-A845 VanDerWaalsContact O-O 3.07Å; V836-A845 HydrophobicContact CG2-CB 3.81Å; N843-A845 PolarHBondContact O-N 3.18Å
846	T	98.8	Very high	98.1	Very high	41 Å²	41	40 Å²	40	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131	-178.8	-62.2	0	0	0	0	110.1	L780 S781 Q832 Q833 I848	L780-T846 WeakPolarHBondContact CA-O 3.38Å; S781-T846 PolarHBondContact N-O 3Å; S781-T846 PolarHBondContact O-N 2.9Å; Q832-T846 WeakPolarHBondContact O-CA 3.5Å; Q833-T846 PolarHBondContact NE2-OG1 3.27Å; Q833-T846 PolarHBondContact OE1-OG1 3.4Å; T846-I848 HydrophobicContact CG2-CG2 4.11Å; T846-I848 PolarHBondContact O-N 3.39Å
847	V	98.8	Very high	97.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.3	166.7	-179.8	0	0	0	0	108.8	Y779 L780 L823 S829 V830 G831 Q832	Y779-V847 WeakPolarHBondContact O-CA 3.41Å; L780-V847 HydrophobicContact CD2-CB 4.41Å; L780-V847 HydrophobicContact CD2-CG2 3.68Å; L823-V847 HydrophobicContact CD1-CG2 3.85Å; S829-V847 WeakPolarHBondContact O-CB 3.28Å; V830-V847 WeakPolarHBondContact CA-O 3.41Å; G831-V847 PolarHBondContact N-O 2.72Å; Q832-V847 HydrophobicContact CB-CB 4.23Å; Q832-V847 HydrophobicContact CB-CG2 4.01Å; Q832-V847 PolarHBondContact O-N 2.68Å
848	I	98.5	Very high	97.7	Very high	35 Å²	35	42.3 Å²	42.3	18%	0.179	24%	0.235	C	C	.	.			trans	-114	156.9	-176.2	51.5	162.2	0	0	0	111.3	Y779 L818 T846 E850	Y779-I848 HydrophobicContact CD1-CD1 3.67Å; Y779-I848 HydrophobicContact CD1-CG1 3.61Å; Y779-I848 HydrophobicContact CE1-CD1 3.57Å; Y779-I848 HydrophobicContact CE1-CG1 4.07Å; Y779-I848 HydrophobicContact CG-CG1 4.31Å; Y779-I848 WeakPolarHBondContact O-CG1 3.44Å; Y779-I848 PolarHBondContact O-N 3.4Å; L818-I848 HydrophobicContact CD2-CD1 4.05Å; T846-I848 HydrophobicContact CG2-CG2 4.11Å; T846-I848 PolarHBondContact O-N 3.39Å; I848-E850 PolarHBondContact O-N 2.9Å
849	Q	98	Very high	97.6	Very high	130 Å²	130	46.3 Å²	46.3	61%	0.607	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-67.8	126.6	175.3	-180	58.9	64.6	0	0	110.3	V830	V830-Q849 HydrophobicContact CG1-CB 4.41Å; V830-Q849 HydrophobicContact CG2-CB 4.27Å
850	E	95.2	Very high	97.3	Very high	57 Å²	57	47.2 Å²	47.2	27%	0.266	26%	0.256	S	S	.	.	S	Bend	trans	-88.2	151.5	172.5	62.4	175.6	-179.5	0	0	112.8	R730 Y779 F820 I848	R730-E850 IonicContact CZ-OE1 3.84Å; R730-E850 IonicContact CZ-OE2 2.75Å; R730-E850 IonicContact NH1-OE1 2.74Å; R730-E850 PolarHBondContact NH1-OE1 2.91Å; R730-E850 IonicContact NH1-OE2 3.17Å; R730-E850 PolarHBondContact NH1-OE2 2.82Å; R730-E850 IonicContact NH2-OE1 2.74Å; R730-E850 PolarHBondContact NH2-OE1 2.72Å; R730-E850 IonicContact NH2-OE2 2.7Å; R730-E850 PolarHBondContact NH2-OE2 2.63Å; R730-E850 VanDerWaalsContact NH2-OE2 3.15Å; Y779-E850 HydrophobicContact CD1-CB 3.64Å; Y779-E850 HydrophobicContact CE1-CB 4.22Å; Y779-E850 HydrophobicContact CG-CB 3.98Å; F820-E850 WeakPolarHBondContact CE1-OE2 3.34Å; I848-E850 PolarHBondContact O-N 2.9Å
851	P	97.3	Very high	97	Very high	47 Å²	47	52 Å²	52	31%	0.305	26%	0.259	S	S	.	.	P	Polyproline II helix	cis	-80	157	-14.6	36.6	-36	0	0	0	111.1	K727 V853 L854	K727-P851 VanDerWaalsContact O-CB 3.29Å; K727-P851 WeakPolarHBondContact O-CB 3.3Å; P851-V853 VanDerWaalsContact C-N 3.34Å; P851-L854 HydrophobicContact CG-CD2 4.12Å
852	L	96.7	Very high	96.7	Very high	61 Å²	61	52 Å²	52	32%	0.319	26%	0.263	S	S	.	.	S	Bend	trans	-65.4	-40.1	175.2	-177	68.5	0	0	0	111.7	E726 Y779 S814 L818	E726-L852 PolarHBondContact O-N 3.43Å; E726-L852 VanDerWaalsContact O-N 3.13Å; Y779-L852 HydrophobicContact CE1-CB 3.99Å; Y779-L852 VanDerWaalsContact OH-CB 3.31Å; Y779-L852 WeakPolarHBondContact OH-CB 3.41Å; S814-L852 WeakPolarHBondContact OG-CD2 3.37Å; L818-L852 HydrophobicContact CD1-CD2 3.95Å; L818-L852 HydrophobicContact CD2-CD2 4.17Å
853	V	97.4	Very high	96.2	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	27%	0.271	C	S	.	.	S	Bend	trans	-119.6	121.6	178.2	179.8	0	0	0	0	109.3	M531 E726 K727 P851	M531-V853 HydrophobicContact CE-CG1 4.04Å; E726-V853 HydrophobicContact CB-CB 4.2Å; E726-V853 HydrophobicContact CB-CG2 3.99Å; E726-V853 PolarHBondContact O-N 3.44Å; K727-V853 HydrophobicContact CD-CB 4.06Å; K727-V853 HydrophobicContact CD-CG1 4.07Å; K727-V853 WeakPolarHBondContact CD-O 3.27Å; P851-V853 VanDerWaalsContact C-N 3.34Å
854	L	97.9	Very high	95.6	Very high	76 Å²	76	57 Å²	57	40%	0.398	30%	0.296	S	S	.	.			trans	-66.1	136	176.1	-61.7	179	0	0	0	111.2	P851 T858 R859 L862	P851-L854 HydrophobicContact CG-CD2 4.12Å; L854-T858 HydrophobicContact CB-CG2 4.39Å; L854-T858 HydrophobicContact CD1-CG2 4.48Å; L854-T858 HydrophobicContact CD2-CG2 4.25Å; L854-R859 HydrophobicContact CB-CG 3.75Å; L854-R859 WeakPolarHBondContact O-CD 3.32Å; L854-R859 PolarHBondContact O-NH1 3.49Å; L854-L862 HydrophobicContact CD1-CD1 3.87Å
855	T	98.1	Very high	94.9	Very high	22 Å²	22	59.8 Å²	59.8	14%	0.135	30%	0.3	C	S	.	.			trans	-65.3	152.1	176.8	59.6	0	0	0	0	113	G683 K727 F729 T858 R859	G683-T855 CarbonylContact O-C 3.53Å; G683-T855 VanDerWaalsContact O-CA 3.29Å; G683-T855 WeakPolarHBondContact O-CA 3.29Å; G683-T855 WeakPolarHBondContact O-CB 3.4Å; K727-T855 HydrophobicContact CB-CG2 4.14Å; K727-T855 HydrophobicContact CD-CG2 4.16Å; K727-T855 HydrophobicContact CG-CG2 4.29Å; F729-T855 HydrophobicContact CE1-CG2 3.69Å; F729-T855 HydrophobicContact CZ-CG2 3.58Å; T855-T858 WeakPolarHBondContact O-CA 3.5Å; T855-T858 VanDerWaalsContact O-CB 3.3Å; T855-T858 WeakPolarHBondContact O-CB 3.48Å; T855-T858 PolarHBondContact O-N 3.42Å; T855-T858 PolarHBondContact OG1-OG1 2.78Å; T855-R859 WeakPolarHBondContact O-CG 3.24Å; T855-R859 PolarHBondContact O-N 2.78Å
856	E	97.6	Very high	94.1	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-52.4	-47.9	-179.5	-178.4	-88.3	142	0	0	113.6	R678 G683 L685 T858 R859 T860	R678-E856 IonicContact CZ-OE2 3.73Å; R678-E856 IonicContact NH2-OE1 3.48Å; R678-E856 PolarHBondContact NH2-OE1 3.04Å; R678-E856 IonicContact NH2-OE2 3.43Å; R678-E856 PolarHBondContact NH2-OE2 2.91Å; G683-E856 PolarHBondContact O-N 3.23Å; L685-E856 HydrophobicContact CB-CB 4.45Å; L685-E856 HydrophobicContact CB-CG 3.98Å; L685-E856 WeakPolarHBondContact CD1-OE2 3.42Å; E856-T858 PolarHBondContact O-N 3.25Å; E856-T858 VanDerWaalsContact O-N 3.16Å; E856-R859 PolarHBondContact O-N 2.82Å; E856-R859 VanDerWaalsContact O-N 3.11Å; E856-T860 WeakPolarHBondContact O-CB 3.33Å; E856-T860 PolarHBondContact O-N 3.03Å; E856-T860 PolarHBondContact O-OG1 3.48Å; E856-T860 WeakPolarHBondContact OE1-CB 3.47Å; E856-T860 PolarHBondContact OE1-OG1 3.1Å
857	P	94.2	Very high	92.9	Very high	25 Å²	25	68.3 Å²	68.3	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-31.1	177	-24.7	35.2	0	0	0	112.9	F661 R861	F661-P857 HydrophobicContact CB-CB 4.24Å; F661-P857 HydrophobicContact CB-CG 4.06Å; F661-P857 HydrophobicContact CD1-CB 3.74Å; F661-P857 HydrophobicContact CD1-CG 3.74Å; F661-P857 HydrophobicContact CD2-CB 4.37Å; F661-P857 HydrophobicContact CD2-CG 3.49Å; F661-P857 VanDerWaalsContact CD2-CG 3.49Å; F661-P857 HydrophobicContact CE1-CB 4.14Å; F661-P857 HydrophobicContact CE1-CG 3.99Å; F661-P857 HydrophobicContact CE2-CG 3.77Å; F661-P857 HydrophobicContact CG-CB 3.87Å; F661-P857 HydrophobicContact CG-CG 3.48Å; F661-P857 VanDerWaalsContact CG-CG 3.48Å; F661-P857 HydrophobicContact CZ-CG 4.01Å; P857-R861 WeakPolarHBondContact O-CB 3.29Å; P857-R861 PolarHBondContact O-N 3.2Å
858	T	95.6	Very high	91.6	Very high	34 Å²	34	72 Å²	72	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-71.8	-48.3	175	-57.1	0	0	0	0	111.2	L854 T855 E856 R861 L862	L854-T858 HydrophobicContact CB-CG2 4.39Å; L854-T858 HydrophobicContact CD1-CG2 4.48Å; L854-T858 HydrophobicContact CD2-CG2 4.25Å; T855-T858 WeakPolarHBondContact O-CA 3.5Å; T855-T858 VanDerWaalsContact O-CB 3.3Å; T855-T858 WeakPolarHBondContact O-CB 3.48Å; T855-T858 PolarHBondContact O-N 3.42Å; T855-T858 PolarHBondContact OG1-OG1 2.78Å; E856-T858 PolarHBondContact O-N 3.25Å; E856-T858 VanDerWaalsContact O-N 3.16Å; T858-R861 PolarHBondContact O-N 3.02Å; T858-L862 HydrophobicContact CG2-CD1 4.16Å; T858-L862 WeakPolarHBondContact O-CG 3.48Å; T858-L862 PolarHBondContact O-N 2.75Å
859	R	96	Very high	89.9	Confident	90 Å²	90	79.6 Å²	79.6	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-47.4	178.3	-59.9	-173.2	-47.6	-116.7	12.1	111.1	E684 L854 T855 E856 R861 L862 A863	E684-R859 IonicContact OE1-CZ 3.72Å; E684-R859 IonicContact OE1-NH1 2.79Å; E684-R859 PolarHBondContact OE1-NH1 3.09Å; E684-R859 IonicContact OE1-NH2 3.73Å; E684-R859 IonicContact OE2-CZ 3.41Å; E684-R859 IonicContact OE2-NH1 3.24Å; E684-R859 PolarHBondContact OE2-NH1 2.98Å; E684-R859 IonicContact OE2-NH2 2.66Å; E684-R859 PolarHBondContact OE2-NH2 2.79Å; L854-R859 HydrophobicContact CB-CG 3.75Å; L854-R859 WeakPolarHBondContact O-CD 3.32Å; L854-R859 PolarHBondContact O-NH1 3.49Å; T855-R859 WeakPolarHBondContact O-CG 3.24Å; T855-R859 PolarHBondContact O-N 2.78Å; E856-R859 PolarHBondContact O-N 2.82Å; E856-R859 VanDerWaalsContact O-N 3.11Å; R859-R861 PolarHBondContact O-N 2.79Å; R859-L862 PolarHBondContact O-N 3.39Å; R859-A863 PolarHBondContact O-N 2.89Å
860	T	91.8	Very high	87.8	Confident	40 Å²	40	79.8 Å²	79.8	25%	0.245	43%	0.432	C	S	.	.	H	α-helix	trans	-62.4	-40.5	176.7	-69.4	0	0	0	0	112.2	E856 A863 K864	E856-T860 WeakPolarHBondContact O-CB 3.33Å; E856-T860 PolarHBondContact O-N 3.03Å; E856-T860 PolarHBondContact O-OG1 3.48Å; E856-T860 WeakPolarHBondContact OE1-CB 3.47Å; E856-T860 PolarHBondContact OE1-OG1 3.1Å; T860-A863 PolarHBondContact O-N 2.72Å; T860-K864 HydrophobicContact CG2-CD 4.44Å; T860-K864 WeakPolarHBondContact O-CB 3.46Å; T860-K864 WeakPolarHBondContact O-CG 3.31Å; T860-K864 PolarHBondContact O-N 3.4Å
861	R	91.9	Very high	87.4	Confident	147 Å²	147	80.9 Å²	80.9	56%	0.555	44%	0.44	S	S	*	.	H	α-helix	trans	-64.3	-39.7	173.7	-178.4	-179.7	66.1	159	-1.5	112.6	P857 T858 R859 K865	P857-R861 WeakPolarHBondContact O-CB 3.29Å; P857-R861 PolarHBondContact O-N 3.2Å; T858-R861 PolarHBondContact O-N 3.02Å; R859-R861 PolarHBondContact O-N 2.79Å; R861-K865 WeakPolarHBondContact O-CG 3.36Å; R861-K865 PolarHBondContact O-N 2.92Å; R861-K865 VanDerWaalsContact O-N 3.1Å
862	L	91.3	Very high	86.9	Confident	89 Å²	89	82.7 Å²	82.7	47%	0.466	45%	0.447	S	S	.	.	H	α-helix	trans	-67.8	-45.4	176.7	-71.1	170.3	0	0	0	111.3	L854 T858 R859 K864 K865 G866	L854-L862 HydrophobicContact CD1-CD1 3.87Å; T858-L862 HydrophobicContact CG2-CD1 4.16Å; T858-L862 WeakPolarHBondContact O-CG 3.48Å; T858-L862 PolarHBondContact O-N 2.75Å; R859-L862 PolarHBondContact O-N 3.39Å; L862-K864 VanDerWaalsContact C-N 3.34Å; L862-K864 PolarHBondContact O-N 3.07Å; L862-K865 PolarHBondContact O-N 2.92Å; L862-K865 VanDerWaalsContact O-N 3.11Å; L862-G866 PolarHBondContact O-N 3.08Å
863	A	88.8	Confident	86.4	Confident	59 Å²	59	83.9 Å²	83.9	49%	0.488	45%	0.454	S	S	.	.	H	α-helix	trans	-58.7	-43	176	0	0	0	0	0	112.4	R859 T860 G866 K867	R859-A863 PolarHBondContact O-N 2.89Å; T860-A863 PolarHBondContact O-N 2.72Å; A863-G866 PolarHBondContact O-N 3.1Å; A863-K867 PolarHBondContact O-N 3.47Å
864	K	87.1	Confident	85.7	Confident	120 Å²	120	87.2 Å²	87.2	52%	0.522	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-39.8	173.4	-76	178.3	173.4	-177.5	0	112.8	D656 T860 L862 G866 K867 A868	D656-K864 WeakPolarHBondContact OD2-CE 3.31Å; D656-K864 IonicContact OD2-NZ 3.36Å; D656-K864 PolarHBondContact OD2-NZ 3.26Å; T860-K864 HydrophobicContact CG2-CD 4.44Å; T860-K864 WeakPolarHBondContact O-CB 3.46Å; T860-K864 WeakPolarHBondContact O-CG 3.31Å; T860-K864 PolarHBondContact O-N 3.4Å; L862-K864 VanDerWaalsContact C-N 3.34Å; L862-K864 PolarHBondContact O-N 3.07Å; K864-G866 VanDerWaalsContact C-N 3.34Å; K864-K867 PolarHBondContact O-N 3.17Å; K864-A868 WeakPolarHBondContact O-CB 3.22Å; K864-A868 PolarHBondContact O-N 2.65Å
865	K	83.8	Confident	84.9	Confident	135 Å²	135	87.9 Å²	87.9	59%	0.587	48%	0.476	S	S	*	.	H	α-helix	trans	-68.6	-29.7	174.9	-78.1	-171.1	174.1	-168.2	0	113.3	R861 L862 K869	R861-K865 WeakPolarHBondContact O-CG 3.36Å; R861-K865 PolarHBondContact O-N 2.92Å; R861-K865 VanDerWaalsContact O-N 3.1Å; L862-K865 PolarHBondContact O-N 2.92Å; L862-K865 VanDerWaalsContact O-N 3.11Å; K865-K869 WeakPolarHBondContact O-CG 3.38Å
866	G	80.4	Confident	84.1	Confident	40 Å²	40	92.3 Å²	92.3	41%	0.412	50%	0.498	S	S	.	.	H	α-helix	trans	-67.7	-50.3	171.8	0	0	0	0	0	111.9	L862 A863 K864 A868 K869 A870	L862-G866 PolarHBondContact O-N 3.08Å; A863-G866 PolarHBondContact O-N 3.1Å; K864-G866 VanDerWaalsContact C-N 3.34Å; G866-A868 PolarHBondContact O-N 3.16Å; G866-K869 PolarHBondContact O-N 3.1Å; G866-A870 PolarHBondContact O-N 3.08Å; G866-A870 VanDerWaalsContact O-N 3.08Å
867	K	75.4	Confident	83.1	Confident	181 Å²	181	97.9 Å²	97.9	79%	0.787	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	3.9	177.1	-69.2	-171	173.9	-169.4	0	115.7	A863 K864	A863-K867 PolarHBondContact O-N 3.47Å; K864-K867 PolarHBondContact O-N 3.17Å
868	A	70.2	Confident	82.2	Confident	83 Å²	83	103.5 Å²	103.5	69%	0.686	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	17.4	174.5	0	0	0	0	0	111.7	K864 G866	K864-A868 WeakPolarHBondContact O-CB 3.22Å; K864-A868 PolarHBondContact O-N 2.65Å; G866-A868 PolarHBondContact O-N 3.16Å
869	K	62.4	Low	81.1	Confident	193 Å²	193	109.3 Å²	109.3	84%	0.839	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	-31.8	177.6	-82.8	-168.6	169.2	-159.5	0	111.9	K865 G866	K865-K869 WeakPolarHBondContact O-CG 3.38Å; G866-K869 PolarHBondContact O-N 3.1Å
870	A	54.4	Low	79.8	Confident	134 Å²	134	111 Å²	111	100%	1.107	61%	0.609	S	S	*	*			trans	-83.7	0	152	0	0	0	0	0	109.4	G866	G866-A870 PolarHBondContact O-N 3.08Å; G866-A870 VanDerWaalsContact O-N 3.08Å

Retrieved 870 of 870 residues in 1518.5 ms (Link to these results)

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