A0A096LVM3_POEFO Loading...

V(D)J recombination-activating protein 1

Catalytic component of the RAG complex, a multiprotein complex that mediates the DNA cleavage phase during V(D)J recombination. V(D)J recombination assembles a diverse repertoire of immunoglobulin and T-cell receptor genes in developing B and T-lymphocytes through rearrangement of different V (variable), in some cases D (diversity), and J (joining) gene segments. In the RAG complex, RAG1 mediates the DNA-binding to the conserved recombination signal sequences (RSS) and catalyzes the DNA cleavage activities by introducing a double-strand break between the RSS and the adjacent coding segment. RAG2 is not a catalytic component but is required for all known catalytic activities. DNA cleavage occurs in 2 steps: a first nick is introduced in the top strand immediately upstream of the heptamer, generating a 3'-hydroxyl group that can attack the phosphodiester bond on the opposite strand in a direct transesterification reaction, thereby creating 4 DNA ends: 2 hairpin coding ends and 2 blunt, 5'-phosphorylated ends.

AlphaFold DB , UniProt , Accession A0A096LVM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,069 aa.

						>A0A096LVM3_POEFO|A0A096LVM3
MAAESPETDGPRSFMPAELQHPHSKYSQWKFKLFRVKSMEKAPLPSETQTKIGTSLGISPPTAPNIEADHGGGLASVMKLCLGGKSKENVEGAGKRVDMKLQEMDTHMNHLRCLCRICGMVLRKVKGPVHDVHGDLDDASKCVLRKMGCKFTSWPDILLKVFKVDVTEDAESIHPLSFCHRCWLAAIRGGGVCSFTRTKVPEWKPHASHCYLCSPKKSSFQRTGRKRRKVVPKVQRLAKRAKWDHGDTIAVGEKRALRPFGDRHSPVVRAWKKNGIQREQWVKNITHCQNDHLNTKLIAEKLPADFIISFTCLVCDHLLCDPVQSPCGHLFCRSCIIKFTHVLGPHCPSCNLSCAPDDLTPPAKTFLSTLYSLPLLCPCEGCGEHVQLGLFKAHCLNHEFEPGTNKHSSHFQNYLLTNKGGRPRQHLLSLTRRAQKHRLKDLKNQVKVFADKEEGGDLKSVCLTLFLLALRSGNEHRQADELEAMMQGRGFGLSPAVCLAIRVNTFLSCSQYHKMYRTVKATSGRQIFQPLHTLRAAEKELLPGFHQFEWQPALKNVSESYNVGIINGLSGWTSSLDDSPADTITRRFRYDVALVAALKDLEEDIMEGLRDTGMEDSACTLGFRVMIKECCDGMGDVSEKHGGGPAVPEKAVRFSFTVMSVSIQAEDEQEEVTIFTEPKPNSELSCKPLCLMFVDESDHETLTAVLGPIVAERNAMKESRLILSMGGMPRSFRFHFRGTGYDEKMVREMEGLEASGSTYICTLCDSTRAEAAQNMVLHSITRSHDENLERYEIWRTNPFSESVDELRDRVKGVSAKPFLETQPTLDALHCDIGNATEFYKIFQDEIGEVYKNPNPSREERRSWRAALDKQLRKKMKLKPVMRMNGNYARRLMTMEATEVVCELVPSEERREVLRELMRLYLQMKPVWRATCPAKECPDQLCRYSFNSQRFADLLSATFKYRYNGKITNYLHKTLAHVPEIIERDGSIGAWASEGNESANKLFRRFRKMNARQSKAFELEDVLKHHWLYTSKYLQKFMEAHKDSAKAFQATIDPEEVQDDEDLTPEITGF
					

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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	31.6	Very low	30.2	Very low	239 Å²	239	139.9 Å²	139.9	100%	1.177	85%	0.848	S	S	*	*				0	96.3	0	-63.2	166	179.9	0	0	104.6
2	A	31.6	Very low	30.2	Very low	99 Å²	99	149 Å²	149	82%	0.818	86%	0.856	S	S	*	*			cis	79.8	145.9	37	0	0	0	0	0	113.1
3	A	30.2	Very low	29.9	Very low	88 Å²	88	146.2 Å²	146.2	73%	0.727	85%	0.85	S	S	*	*			trans	76.7	137.9	-162.8	0	0	0	0	0	115.2
4	E	29.3	Very low	29.7	Very low	192 Å²	192	150.3 Å²	150.3	90%	0.897	85%	0.853	S	S	*	*			cis	-160.9	172	-29.9	-132.7	146.2	-136.8	0	0	110.7
5	S	30.5	Very low	29.7	Very low	96 Å²	96	151.7 Å²	151.7	67%	0.671	85%	0.853	S	S	*	*			trans	-93.1	177.4	-176.8	57.9	0	0	0	0	113.5
6	P	39.3	Very low	29.6	Very low	128 Å²	128	149.5 Å²	149.5	83%	0.831	85%	0.847	S	S	*	*				-140.4	165.7	93.1	38.7	-25.7	0	0	0	115.6
7	E	26.8	Very low	29.6	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	84%	0.843	S	S	*	*			trans	-102.4	159.8	174.9	-58.7	174.1	120.3	0	0	111.4
8	T	27.3	Very low	29.6	Very low	144 Å²	144	148.5 Å²	148.5	88%	0.883	84%	0.844	S	S	*	*			trans	-143.7	149.2	157	42.6	0	0	0	0	110.8
9	D	26	Very low	29.6	Very low	171 Å²	171	148.8 Å²	148.8	91%	0.914	84%	0.843	S	S	*	*			trans	-67.6	164.6	-161.5	-72.7	-80.1	0	0	0	118.4
10	G	27.3	Very low	29.5	Very low	67 Å²	67	150.9 Å²	150.9	69%	0.691	85%	0.845	S	S	*	*			trans	-84.7	-154.5	177.4	0	0	0	0	0	115.6
11	P	31.9	Very low	29.6	Very low	134 Å²	134	151 Å²	151	87%	0.87	84%	0.839	S	S	*	*				-140.5	169.7	74	39.5	-25.2	0	0	0	116
12	R	30.2	Very low	29.7	Very low	249 Å²	249	145 Å²	145	94%	0.94	82%	0.818	S	S	*	*			trans	-82.7	146.6	174.3	-67.3	174.4	173.2	158.4	-2.4	112.1
13	S	26.9	Very low	30.1	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	81%	0.811	S	S	*	*			trans	-135	134	150.4	62	0	0	0	0	112
14	F	27.5	Very low	30.2	Very low	204 Å²	204	148.1 Å²	148.1	90%	0.895	81%	0.811	S	S	*	*			trans	-33	117.4	-174.3	-63.9	-96.3	0	0	0	118
15	M	28.4	Very low	30.3	Very low	172 Å²	172	145.9 Å²	145.9	85%	0.847	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.2	133.3	150.2	-70.4	-91.1	83.2	0	0	109.3
16	P	28.7	Very low	30.6	Very low	116 Å²	116	150.8 Å²	150.8	75%	0.753	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.7	151.1	170.3	-22.2	34.3	0	0	0	112.2
17	A	28.8	Very low	30.3	Very low	95 Å²	95	148.1 Å²	148.1	79%	0.785	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-65.3	140.5	179.8	0	0	0	0	0	112.4	L19	A17-L19 PolarHBondContact O-N 3.06Å
18	E	30.2	Very low	30.4	Very low	186 Å²	186	145.5 Å²	145.5	87%	0.869	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.1	123.1	175.8	-61.7	-179.9	123.8	0	0	111.3	Q20	E18-Q20 PolarHBondContact O-N 2.96Å
19	L	28.9	Very low	30.6	Very low	155 Å²	155	148.6 Å²	148.6	81%	0.812	77%	0.771	S	S	*	*			trans	-69.8	100.7	172.8	-80.1	168.9	0	0	0	109.8	A17 H21	A17-L19 PolarHBondContact O-N 3.06Å; L19-H21 PolarHBondContact O-CD2 3.32Å; L19-H21 PolarHBondContact O-N 3.03Å
20	Q	28.4	Very low	30.7	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	76%	0.755	S	S	*	*			trans	-59.9	96	176.8	-69.7	-172.2	-6.8	0	0	111.7	E18	E18-Q20 PolarHBondContact O-N 2.96Å
21	H	32.2	Very low	30.8	Very low	154 Å²	154	152 Å²	152	71%	0.713	76%	0.759	S	S	*	*			trans	-64.6	127.8	175	-78.5	-88.4	0	0	0	110.9	L19 H23	L19-H21 PolarHBondContact O-CD2 3.32Å; L19-H21 PolarHBondContact O-N 3.03Å; H21-H23 PolarHBondContact O-N 3.41Å
22	P	33.1	Very low	30.6	Very low	113 Å²	113	155.2 Å²	155.2	73%	0.734	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	29.9	-172.4	31.6	-37.6	0	0	0	114.8
23	H	40.4	Very low	30.6	Very low	147 Å²	147	150 Å²	150	68%	0.681	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	16.3	-169.9	-71.2	-18.5	0	0	0	115.6	H21 K25 Y26	H21-H23 PolarHBondContact O-N 3.41Å; H23-K25 PolarHBondContact O-N 3.06Å; H23-Y26 PolarHBondContact O-N 2.91Å
24	S	33.2	Very low	30.7	Very low	104 Å²	104	152.3 Å²	152.3	73%	0.727	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-58.7	-7.7	173.3	60.3	0	0	0	0	115.7	S27	S24-S27 PolarHBondContact O-OG 2.76Å
25	K	31	Very low	30.6	Very low	145 Å²	145	153.2 Å²	153.2	63%	0.63	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-88.6	1.4	-178.1	-69.8	-174.6	177	176.6	0	115.8	H23 S27 Q28	H23-K25 PolarHBondContact O-N 3.06Å; K25-S27 PolarHBondContact O-N 2.99Å; K25-Q28 PolarHBondContact O-N 2.98Å
26	Y	36.6	Very low	30.5	Very low	199 Å²	199	151.5 Å²	151.5	78%	0.78	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-63.9	-28.5	176.6	-128.2	-80.7	0	0	0	113.1	H23 Q28 W29	H23-Y26 PolarHBondContact O-N 2.91Å; Y26-Q28 PolarHBondContact O-N 2.58Å; Y26-W29 PolarHBondContact O-N 2.66Å
27	S	31.9	Very low	30.3	Very low	73 Å²	73	153.5 Å²	153.5	51%	0.51	74%	0.74	S	S	.	*	G	3₁₀ helix	trans	-56.9	-33.4	173.3	54.9	0	0	0	0	113.6	S24 K25 W29 K30	S24-S27 PolarHBondContact O-OG 2.76Å; K25-S27 PolarHBondContact O-N 2.99Å; S27-W29 VanDerWaalsContact C-N 3.33Å; S27-W29 PolarHBondContact O-N 2.66Å; S27-K30 WeakPolarHBondContact O-CB 3.43Å; S27-K30 PolarHBondContact O-N 2.97Å
28	Q	30.3	Very low	30.2	Very low	126 Å²	126	154.2 Å²	154.2	59%	0.589	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-75.6	-18	-173.4	-63.7	-173.1	-18.5	0	0	113.7	K25 Y26	K25-Q28 PolarHBondContact O-N 2.98Å; Y26-Q28 PolarHBondContact O-N 2.58Å
29	W	31.6	Very low	30.1	Very low	208 Å²	208	154 Å²	154	79%	0.788	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-78.6	-22.7	175.1	-77.7	49.9	0	0	0	112.3	Y26 S27 F31	Y26-W29 PolarHBondContact O-N 2.66Å; S27-W29 VanDerWaalsContact C-N 3.33Å; S27-W29 PolarHBondContact O-N 2.66Å; W29-F31 PolarHBondContact O-N 3.45Å
30	K	28.2	Very low	30	Very low	131 Å²	131	153.4 Å²	153.4	57%	0.57	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-24.7	178	-159.3	169.4	-174.9	172.1	0	113	S27	S27-K30 WeakPolarHBondContact O-CB 3.43Å; S27-K30 PolarHBondContact O-N 2.97Å
31	F	28.1	Very low	30.1	Very low	179 Å²	179	154 Å²	154	79%	0.785	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-8.4	-172	-80	-80.8	0	0	0	116.5	W29	W29-F31 PolarHBondContact O-N 3.45Å
32	K	28.1	Very low	29.7	Very low	201 Å²	201	150.8 Å²	150.8	87%	0.874	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-5.4	-179.9	-81.8	-173	175.1	179.4	0	115.9
33	L	29.8	Very low	29.5	Very low	141 Å²	141	151.4 Å²	151.4	74%	0.738	74%	0.737	S	S	*	*	S	Bend	trans	-106.8	-11.2	177.6	-93.6	162.3	0	0	0	114.9
34	F	30.2	Very low	28.9	Very low	160 Å²	160	152.5 Å²	152.5	70%	0.702	75%	0.747	S	S	*	*			trans	-121.5	81.3	-172.3	-63.7	-75.1	0	0	0	112.7
35	R	24.8	Very low	28.7	Very low	222 Å²	222	153.4 Å²	153.4	84%	0.838	75%	0.75	S	S	*	*			trans	-118.7	83.3	159.4	-165.2	175.6	-168.4	174.9	6.4	110	K37	R35-K37 VanDerWaalsContact C-N 3.33Å; R35-K37 PolarHBondContact O-N 2.89Å
36	V	26	Very low	28.5	Very low	137 Å²	137	151.5 Å²	151.5	83%	0.83	76%	0.755	S	S	*	*			trans	-67.8	92.5	171.1	-178.9	0	0	0	0	108.6
37	K	24.6	Very low	28	Very low	158 Å²	158	151.4 Å²	151.4	69%	0.687	76%	0.762	S	S	*	*			trans	-76.8	122.8	155.9	-88.7	-166.7	170.2	-170.9	0	107.7	R35 M39	R35-K37 VanDerWaalsContact C-N 3.33Å; R35-K37 PolarHBondContact O-N 2.89Å; K37-M39 PolarHBondContact O-N 2.87Å
38	S	27.9	Very low	27.7	Very low	110 Å²	110	154 Å²	154	77%	0.769	78%	0.775	S	S	*	*			trans	-59.1	116.5	163.9	38.4	0	0	0	0	109	E40	S38-E40 PolarHBondContact O-N 3.46Å
39	M	26.7	Very low	27.6	Very low	182 Å²	182	157 Å²	157	90%	0.897	79%	0.789	S	S	*	*			trans	-82.8	108.1	172.6	-73.6	-167.4	70.7	0	0	109.5	K37	K37-M39 PolarHBondContact O-N 2.87Å
40	E	26.9	Very low	27.2	Very low	142 Å²	142	154 Å²	154	66%	0.664	79%	0.794	S	S	*	*			trans	-61.8	144.1	162	-61.9	-166.3	80	0	0	110.2	S38 A42 K878	S38-E40 PolarHBondContact O-N 3.46Å; E40-A42 PolarHBondContact O-N 2.86Å; E40-K878 WeakPolarHBondContact OE1-CE 3.4Å; E40-K878 IonicContact OE1-NZ 3.42Å; E40-K878 PolarHBondContact OE1-NZ 3.5Å
41	K	30.1	Very low	27.2	Very low	201 Å²	201	156.4 Å²	156.4	87%	0.874	80%	0.804	S	S	*	*			trans	-64.1	115.1	167.8	-69.1	-175.3	176.6	-176.6	0	109.4
42	A	24.1	Very low	27.3	Very low	88 Å²	88	155.9 Å²	155.9	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78.4	156.7	160.2	0	0	0	0	0	110.2	E40	E40-A42 PolarHBondContact O-N 2.86Å
43	P	28.9	Very low	27.2	Very low	125 Å²	125	149.8 Å²	149.8	81%	0.812	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.4	157.5	-176.6	-11	28.8	0	0	0	113.1
44	L	27.8	Very low	27	Very low	171 Å²	171	149.6 Å²	149.6	90%	0.895	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.9	140.7	158.2	-70.7	166.8	0	0	0	109
45	P	29.2	Very low	26.8	Very low	123 Å²	123	146.3 Å²	146.3	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.8	140.2	173.6	-13.5	29	0	0	0	111.6
46	S	27.8	Very low	27	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-81.3	147	164.3	51.4	0	0	0	0	110.8
47	E	25.7	Very low	26.8	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.7	133.5	169.8	-60.9	-178.2	140	0	0	110.9
48	T	25.8	Very low	26.9	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	81%	0.81	S	S	*	*			trans	-140.9	133.7	163.7	-33.7	0	0	0	0	109.5
49	Q	26.9	Very low	26.8	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.883	81%	0.808	S	S	*	*			trans	-86.2	134.4	-179.4	-57.7	171.3	0.2	0	0	111.6
50	T	24.6	Very low	27.9	Very low	144 Å²	144	138.3 Å²	138.3	88%	0.883	80%	0.802	S	S	*	*			trans	-145.3	154.4	151.1	-33.6	0	0	0	0	110.2
51	K	27.9	Very low	28.4	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.787	81%	0.806	S	S	*	*			trans	-101.5	145.7	-169.5	-68.8	177	179.6	175.3	0	113.5
52	I	29	Very low	28.3	Very low	168 Å²	168	133.9 Å²	133.9	86%	0.862	80%	0.804	S	S	*	*			trans	54.8	123.1	138.6	-59.3	165.7	0	0	0	118.5
53	G	25.8	Very low	28.4	Very low	74 Å²	74	133.7 Å²	133.7	76%	0.763	80%	0.802	S	S	*	*			trans	-174.9	102.2	166.6	0	0	0	0	0	115.1
54	T	26.1	Very low	28.9	Very low	137 Å²	137	133.6 Å²	133.6	84%	0.84	80%	0.802	S	S	*	*			trans	-44	157.9	159.8	31.1	0	0	0	0	114.7
55	S	26.8	Very low	28.8	Very low	90 Å²	90	132.5 Å²	132.5	63%	0.629	80%	0.797	S	S	*	*			cis	177.6	167.1	-7.8	49.9	0	0	0	0	110.6
56	L	27.9	Very low	28.8	Very low	178 Å²	178	133.2 Å²	133.2	93%	0.932	79%	0.792	S	S	*	*			trans	68.5	155	169.8	-57.6	155.5	0	0	0	114.9
57	G	23.3	Very low	28.6	Very low	61 Å²	61	136 Å²	136	63%	0.629	79%	0.794	S	S	*	*			cis	164.9	176.8	-6.3	0	0	0	0	0	112
58	I	26.8	Very low	28.5	Very low	179 Å²	179	130.7 Å²	130.7	92%	0.918	78%	0.784	S	S	*	*			trans	89.8	150	173	-54.2	169.3	0	0	0	116.4
59	S	25.9	Very low	28.3	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	78%	0.783	S	S	*	*			trans	-123.6	175.1	-158.2	-43.2	0	0	0	0	112.3
60	P	48.8	Very low	28.3	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	78%	0.781	S	S	*	*			trans	-88.6	172.2	-171.9	38.4	-36.6	0	0	0	113.9
61	P	37.5	Very low	28.3	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	78%	0.776	S	S	*	*				-128.5	-171.2	107	40.5	-33	0	0	0	111
62	T	27.4	Very low	28.2	Very low	133 Å²	133	123.7 Å²	123.7	82%	0.816	78%	0.784	S	S	*	*			cis	-151.5	174.1	9.6	-28.7	0	0	0	0	109.8
63	A	25.7	Very low	28	Very low	84 Å²	84	119 Å²	119	69%	0.694	78%	0.777	S	S	*	*			trans	-137	159.6	161.8	0	0	0	0	0	110.6
64	P	40.6	Very low	28.6	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	79%	0.789	S	S	*	*			trans	-140.2	168.8	135.3	37.6	-24.2	0	0	0	114.4
65	N	25.8	Very low	28.5	Very low	148 Å²	148	122.7 Å²	122.7	79%	0.791	79%	0.787	S	S	*	*			trans	-81.9	-176	-179.5	-49.4	-12.4	0	0	0	110.8
66	I	28.3	Very low	28.7	Very low	138 Å²	138	123.9 Å²	123.9	71%	0.708	80%	0.795	S	S	*	*			cis	-146.5	-168.7	16.9	3.6	173.1	0	0	0	107.5
67	E	23.1	Very low	28.8	Very low	161 Å²	161	121.8 Å²	121.8	75%	0.752	79%	0.79	S	S	*	*			cis	-147.2	-113.4	14.8	-165.6	58.7	-83.9	0	0	111.6
68	A	24.6	Very low	28.9	Very low	86 Å²	86	127.1 Å²	127.1	71%	0.711	80%	0.801	S	S	*	*			trans	-113.6	170.9	-177.2	0	0	0	0	0	110.6
69	D	22.4	Very low	29	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	80%	0.798	S	S	*	*			cis	-155.9	-175.2	39.8	-171.3	23.3	0	0	0	113.3
70	H	26.9	Very low	29	Very low	182 Å²	182	130.4 Å²	130.4	84%	0.843	80%	0.801	S	S	*	*			trans	-56.8	133.1	-169.9	-69.8	-73.6	0	0	0	117
71	G	24.8	Very low	28	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	81%	0.805	S	S	*	*			trans	-157	89.2	169.7	0	0	0	0	0	113.6	G73	G71-G73 PolarHBondContact O-N 3.14Å
72	G	25.5	Very low	27.6	Very low	94 Å²	94	133.5 Å²	133.5	97%	0.969	81%	0.812	S	S	*	*			trans	-74.5	80.3	-177.3	0	0	0	0	0	114.7
73	G	23.7	Very low	27.6	Very low	69 Å²	69	131.2 Å²	131.2	71%	0.711	82%	0.815	S	S	*	*			trans	-92.9	133.4	178.8	0	0	0	0	0	115	G71 A75	G71-G73 PolarHBondContact O-N 3.14Å; G73-A75 PolarHBondContact O-N 3.43Å
74	L	38.3	Very low	27.6	Very low	191 Å²	191	131 Å²	131	100%	1	82%	0.822	S	S	*	*			trans	-68.4	121.8	175.9	-78.3	143.2	0	0	0	112.4
75	A	24.9	Very low	27.7	Very low	99 Å²	99	135 Å²	135	82%	0.818	83%	0.826	S	S	*	*			trans	-119.8	130.8	171.3	0	0	0	0	0	112	G73	G73-A75 PolarHBondContact O-N 3.43Å
76	S	30.6	Very low	27.8	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	83%	0.829	S	S	*	*			trans	-62.5	147.7	-169.2	-173.8	0	0	0	0	115.2	M78	S76-M78 PolarHBondContact O-N 3.26Å
77	V	29.6	Very low	27.9	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	83%	0.83	S	S	*	*			trans	-51.1	119.2	156.2	175.2	0	0	0	0	110.1
78	M	26.4	Very low	28.1	Very low	173 Å²	173	134.5 Å²	134.5	85%	0.852	83%	0.827	S	S	*	*			trans	-172.8	96.5	148.9	-111.9	-157.9	-61.9	0	0	113.2	S76	S76-M78 PolarHBondContact O-N 3.26Å
79	K	27.6	Very low	28.5	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	83%	0.831	S	S	*	*			trans	-169.6	162.6	140.3	-119.1	173.1	-177.1	176.2	0	113.2
80	L	27	Very low	28.8	Very low	154 Å²	154	137.6 Å²	137.6	81%	0.806	84%	0.836	S	S	*	*			trans	63.1	75.6	161	-64.5	167.2	0	0	0	117.5
81	C	27.1	Very low	29	Very low	122 Å²	122	138 Å²	138	82%	0.824	84%	0.839	S	S	*	*			trans	-127.1	155.6	130.2	-86.6	0	0	0	0	108.9
82	L	29	Very low	29	Very low	177 Å²	177	138.2 Å²	138.2	93%	0.927	84%	0.841	S	S	*	*			trans	76.7	125.5	-174.2	-46.8	175.6	0	0	0	114.5
83	G	27.2	Very low	29.4	Very low	84 Å²	84	139 Å²	139	87%	0.866	84%	0.838	S	S	*	*			cis	156.2	158.2	-9.4	0	0	0	0	0	112.7
84	G	25.4	Very low	30	Very low	81 Å²	81	139.4 Å²	139.4	84%	0.835	84%	0.842	S	S	*	*			trans	162.6	159.8	173.7	0	0	0	0	0	114.6
85	K	42.9	Very low	30	Very low	208 Å²	208	140.1 Å²	140.1	90%	0.904	84%	0.837	S	S	*	*			trans	-140	131.3	175.3	-61.4	177.2	-179.2	179	0	110.3
86	S	27.8	Very low	30.9	Very low	120 Å²	120	147.1 Å²	147.1	84%	0.839	84%	0.842	S	S	*	*			trans	169.9	149.2	160.2	45.2	0	0	0	0	110.1
87	K	32.2	Very low	31.6	Very low	170 Å²	170	146.4 Å²	146.4	74%	0.739	83%	0.832	S	S	*	*			cis	-169.3	168.4	-25	-157	-176.1	172.3	-150.8	0	107.1
88	E	26.6	Very low	32.7	Very low	146 Å²	146	144 Å²	144	68%	0.682	82%	0.815	S	S	*	*			trans	70.8	169.9	157.7	-88.3	139.9	-159.4	0	0	120.1
89	N	32.5	Very low	34	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	80%	0.799	S	S	*	*			trans	-115.2	155	-150.3	-53.4	-33.4	0	0	0	112.7
90	V	30.1	Very low	35.3	Very low	144 Å²	144	138.5 Å²	138.5	87%	0.873	79%	0.789	S	S	*	*			trans	-137.1	132.7	151.7	179.4	0	0	0	0	108.1
91	E	29.1	Very low	36.8	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	78%	0.778	S	S	*	*			trans	-81.1	152	172.6	-59.1	177.1	114.9	0	0	110.6
92	G	26.7	Very low	38.4	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	76%	0.762	S	S	*	*			trans	172.3	102.9	176	0	0	0	0	0	114.8
93	A	32.1	Very low	40	Very low	110 Å²	110	132.1 Å²	132.1	91%	0.909	74%	0.741	S	S	*	*			trans	-51.5	149	-177.4	0	0	0	0	0	116.4
94	G	36.5	Very low	41.8	Very low	77 Å²	77	132 Å²	132	79%	0.794	72%	0.719	S	S	*	*			trans	97.7	75.7	133.5	0	0	0	0	0	118.5
95	K	38.5	Very low	43.9	Very low	207 Å²	207	132.2 Å²	132.2	90%	0.9	70%	0.702	S	S	*	*			trans	-136.6	132.3	141.1	-105.3	163	-172.5	171.4	0	109.5	V97	K95-V97 PolarHBondContact O-N 3.27Å
96	R	43.8	Very low	45.1	Very low	245 Å²	245	126.3 Å²	126.3	93%	0.925	68%	0.683	S	S	*	*			trans	-64.3	121.3	174.9	-64.9	177.8	-177.7	171.7	0.6	107.8	D98	R96-D98 PolarHBondContact O-N 3.38Å
97	V	46	Very low	47.2	Very low	99 Å²	99	121 Å²	121	60%	0.6	65%	0.645	S	S	*	*			trans	-64.5	114.6	153.1	179.5	0	0	0	0	104.9	K95 M99 Q102	K95-V97 PolarHBondContact O-N 3.27Å; V97-M99 HydrophobicContact CG1-CE 4.41Å; V97-M99 PolarHBondContact O-N 2.95Å; V97-M99 VanDerWaalsContact O-N 3.12Å; V97-Q102 HydrophobicContact CG1-CB 4.44Å
98	D	53	Low	49.1	Very low	84 Å²	84	114.3 Å²	114.3	45%	0.449	62%	0.616	S	S	.	*			trans	-62.7	117.4	174.9	-171.2	-15.6	0	0	0	107.5	R96 K100 L101 Q102	R96-D98 PolarHBondContact O-N 3.38Å; D98-K100 PolarHBondContact O-N 2.96Å; D98-K100 VanDerWaalsContact O-N 3.1Å; D98-K100 WeakPolarHBondContact OD1-CB 3.2Å; D98-K100 PolarHBondContact OD1-N 3.11Å; D98-L101 HydrophobicContact CB-CD1 4.17Å; D98-L101 HydrophobicContact CB-CG 4.38Å; D98-L101 WeakPolarHBondContact O-CB 3.48Å; D98-L101 PolarHBondContact O-N 2.67Å; D98-Q102 PolarHBondContact O-N 3.46Å
99	M	54	Low	51.4	Low	106 Å²	106	110.8 Å²	110.8	52%	0.522	60%	0.602	S	S	.	*	H	α-helix	trans	-57.3	-28.3	-179.4	-80.7	-73.2	98	0	0	111.4	V97 L101 Q102 E103	V97-M99 HydrophobicContact CG1-CE 4.41Å; V97-M99 PolarHBondContact O-N 2.95Å; V97-M99 VanDerWaalsContact O-N 3.12Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 PolarHBondContact O-N 2.76Å; M99-Q102 HydrophobicContact CE-CB 4.22Å; M99-Q102 PolarHBondContact O-N 2.83Å; M99-E103 VanDerWaalsContact O-CB 3.32Å; M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 VanDerWaalsContact O-CG 3.3Å; M99-E103 WeakPolarHBondContact O-CG 3.38Å; M99-E103 PolarHBondContact O-N 3.27Å
100	K	54	Low	53.3	Low	153 Å²	153	107.7 Å²	107.7	67%	0.665	58%	0.583	S	S	*	*	H	α-helix	trans	-62.4	-35.7	173.8	-66	-179.1	175.8	-178.4	0	113.2	D98 M104	D98-K100 PolarHBondContact O-N 2.96Å; D98-K100 VanDerWaalsContact O-N 3.1Å; D98-K100 WeakPolarHBondContact OD1-CB 3.2Å; D98-K100 PolarHBondContact OD1-N 3.11Å; K100-M104 WeakPolarHBondContact O-CB 3.46Å; K100-M104 PolarHBondContact O-N 3.49Å
101	L	58.1	Low	55.4	Low	109 Å²	109	100.9 Å²	100.9	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-68.7	-38.4	176.2	-79.3	167.7	0	0	0	111.4	D98 M99 M104 D105	D98-L101 HydrophobicContact CB-CD1 4.17Å; D98-L101 HydrophobicContact CB-CG 4.38Å; D98-L101 WeakPolarHBondContact O-CB 3.48Å; D98-L101 PolarHBondContact O-N 2.67Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 PolarHBondContact O-N 2.76Å; L101-M104 HydrophobicContact CD2-CE 3.86Å; L101-D105 PolarHBondContact O-N 2.68Å
102	Q	60.8	Low	57.7	Low	103 Å²	103	97.4 Å²	97.4	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-78.2	-35.6	179.5	-166.3	167.6	-3.4	0	0	112.6	V97 D98 M99 T106	V97-Q102 HydrophobicContact CG1-CB 4.44Å; D98-Q102 PolarHBondContact O-N 3.46Å; M99-Q102 HydrophobicContact CE-CB 4.22Å; M99-Q102 PolarHBondContact O-N 2.83Å; Q102-T106 WeakPolarHBondContact O-CB 3.3Å; Q102-T106 WeakPolarHBondContact O-CG2 3.37Å; Q102-T106 PolarHBondContact O-N 3.26Å; Q102-T106 PolarHBondContact O-OG1 2.98Å
103	E	63.4	Low	60.2	Low	106 Å²	106	95.5 Å²	95.5	50%	0.495	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-38.1	169	-74.6	177.9	179.4	0	0	111.7	M99 T106 H107 H206	M99-E103 VanDerWaalsContact O-CB 3.32Å; M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 VanDerWaalsContact O-CG 3.3Å; M99-E103 WeakPolarHBondContact O-CG 3.38Å; M99-E103 PolarHBondContact O-N 3.27Å; E103-T106 WeakPolarHBondContact CA-OG1 3.03Å; E103-T106 PolarHBondContact O-OG1 3.08Å; E103-H107 WeakPolarHBondContact O-CB 3.38Å; E103-H107 PolarHBondContact O-N 3.13Å; E103-H107 VanDerWaalsContact O-N 3.08Å; E103-H206 PolarHBondContact O-CE1 2.95Å
104	M	64.2	Low	62.4	Low	81 Å²	81	90.8 Å²	90.8	40%	0.399	45%	0.453	S	S	.	.	H	α-helix	trans	-68.4	-51.2	175.9	-175.9	168.1	60.7	0	0	111.4	K100 L101 T106 H107 M108	K100-M104 WeakPolarHBondContact O-CB 3.46Å; K100-M104 PolarHBondContact O-N 3.49Å; L101-M104 HydrophobicContact CD2-CE 3.86Å; M104-T106 VanDerWaalsContact C-N 3.34Å; M104-T106 PolarHBondContact O-N 3.21Å; M104-H107 PolarHBondContact O-N 3.04Å; M104-H107 VanDerWaalsContact O-N 3.12Å; M104-M108 HydrophobicContact CG-CG 4.24Å; M104-M108 WeakPolarHBondContact O-CG 3.47Å; M104-M108 PolarHBondContact O-N 2.68Å
105	D	68.9	Low	64.7	Low	87 Å²	87	87.1 Å²	87.1	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-40.4	178.7	178	70.1	0	0	0	112.5	L101 H107 M108 N109	L101-D105 PolarHBondContact O-N 2.68Å; D105-H107 VanDerWaalsContact C-N 3.32Å; D105-H107 PolarHBondContact O-N 2.64Å; D105-M108 PolarHBondContact O-N 3.42Å; D105-N109 WeakPolarHBondContact O-CB 3.43Å; D105-N109 PolarHBondContact O-N 3.03Å; D105-N109 PolarHBondContact O-ND2 3.01Å; D105-N109 PolarHBondContact OD1-ND2 3.06Å; D105-N109 PolarHBondContact OD2-ND2 3.34Å
106	T	68.3	Low	66.8	Low	84 Å²	84	78 Å²	78	52%	0.515	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-33.4	175.5	50.8	0	0	0	0	112.8	Q102 E103 M104 H110	Q102-T106 WeakPolarHBondContact O-CB 3.3Å; Q102-T106 WeakPolarHBondContact O-CG2 3.37Å; Q102-T106 PolarHBondContact O-N 3.26Å; Q102-T106 PolarHBondContact O-OG1 2.98Å; E103-T106 WeakPolarHBondContact CA-OG1 3.03Å; E103-T106 PolarHBondContact O-OG1 3.08Å; M104-T106 VanDerWaalsContact C-N 3.34Å; M104-T106 PolarHBondContact O-N 3.21Å; T106-H110 PolarHBondContact O-N 3.41Å
107	H	71.8	Confident	68.5	Low	9 Å²	9	66.5 Å²	66.5	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-71.7	-44.8	171.7	-172.2	77.9	0	0	0	112.7	E103 M104 D105 N109 H110 L111 H206 C213	E103-H107 WeakPolarHBondContact O-CB 3.38Å; E103-H107 PolarHBondContact O-N 3.13Å; E103-H107 VanDerWaalsContact O-N 3.08Å; M104-H107 PolarHBondContact O-N 3.04Å; M104-H107 VanDerWaalsContact O-N 3.12Å; D105-H107 VanDerWaalsContact C-N 3.32Å; D105-H107 PolarHBondContact O-N 2.64Å; H107-N109 VanDerWaalsContact C-N 3.3Å; H107-N109 PolarHBondContact O-N 3.06Å; H107-H110 CarbonylContact O-C 3.43Å; H107-H110 WeakPolarHBondContact O-CA 3.32Å; H107-H110 VanDerWaalsContact O-CB 3.31Å; H107-H110 WeakPolarHBondContact O-CB 3.45Å; H107-H110 PolarHBondContact O-N 2.85Å; H107-L111 PolarHBondContact O-N 2.98Å; H107-H206 VanDerWaalsContact CB-CE1 3.47Å; H107-H206 WeakPolarHBondContact CB-CE1 3.3Å; H107-H206 WeakPolarHBondContact CB-NE2 3.27Å; H107-H206 AromaticContact CD2-CD2 3.91Å; H107-H206 AromaticContact CD2-NE2 3.16Å; H107-H206 PolarHBondContact CD2-NE2 2.76Å; H107-H206 AromaticContact CG-CE1 3.78Å; H107-H206 AromaticContact CG-NE2 3.19Å; H107-C213 PolarHBondContact ND1-SG 2.96Å
108	M	73.7	Confident	69.9	Low	28 Å²	28	63.7 Å²	63.7	14%	0.138	32%	0.317	C	S	.	.	H	α-helix	trans	-54.2	-46.8	175.4	-70.4	-68.5	-70.8	0	0	111.4	M104 D105 H110 L111 R112 E171	M104-M108 HydrophobicContact CG-CG 4.24Å; M104-M108 WeakPolarHBondContact O-CG 3.47Å; M104-M108 PolarHBondContact O-N 2.68Å; D105-M108 PolarHBondContact O-N 3.42Å; M108-H110 PolarHBondContact O-N 3.33Å; M108-L111 PolarHBondContact O-N 3.43Å; M108-R112 WeakPolarHBondContact O-CB 3.49Å; M108-R112 VanDerWaalsContact O-CG 3.3Å; M108-R112 WeakPolarHBondContact O-CG 3.4Å; M108-R112 PolarHBondContact O-N 3.19Å; M108-E171 HydrophobicContact CE-CB 3.74Å; M108-E171 VanDerWaalsContact SD-O 3.33Å
109	N	73.4	Confident	70.8	Confident	72 Å²	72	60.9 Å²	60.9	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-70.9	-19.6	177.6	-68.4	-44.9	0	0	0	112.9	D105 H107 C113	D105-N109 WeakPolarHBondContact O-CB 3.43Å; D105-N109 PolarHBondContact O-N 3.03Å; D105-N109 PolarHBondContact O-ND2 3.01Å; D105-N109 PolarHBondContact OD1-ND2 3.06Å; D105-N109 PolarHBondContact OD2-ND2 3.34Å; H107-N109 VanDerWaalsContact C-N 3.3Å; H107-N109 PolarHBondContact O-N 3.06Å; N109-C113 PolarHBondContact O-SG 3.48Å
110	H	72.2	Confident	71.9	Confident	86 Å²	86	60.5 Å²	60.5	40%	0.398	31%	0.306	S	S	.	.	H	α-helix	trans	-78.1	-47.7	167.9	-158.9	83.8	0	0	0	112.1	T106 H107 M108 R112 C113 L114	T106-H110 PolarHBondContact O-N 3.41Å; H107-H110 CarbonylContact O-C 3.43Å; H107-H110 WeakPolarHBondContact O-CA 3.32Å; H107-H110 VanDerWaalsContact O-CB 3.31Å; H107-H110 WeakPolarHBondContact O-CB 3.45Å; H107-H110 PolarHBondContact O-N 2.85Å; M108-H110 PolarHBondContact O-N 3.33Å; H110-R112 VanDerWaalsContact C-N 3.33Å; H110-R112 PolarHBondContact O-N 3.2Å; H110-C113 WeakPolarHBondContact O-CA 3.37Å; H110-C113 WeakPolarHBondContact O-CB 3.11Å; H110-C113 PolarHBondContact O-N 3.39Å; H110-L114 WeakPolarHBondContact O-CG 3.08Å
111	L	74.8	Confident	73	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-46.7	176.4	-69.4	-179.6	0	0	0	111.4	H107 M108 C113 L114 P175 W203	H107-L111 PolarHBondContact O-N 2.98Å; M108-L111 PolarHBondContact O-N 3.43Å; L111-C113 PolarHBondContact O-N 2.72Å; L111-L114 PolarHBondContact O-N 2.69Å; L111-P175 HydrophobicContact CB-CG 4.42Å; L111-P175 HydrophobicContact CD2-CG 4.11Å; L111-P175 WeakPolarHBondContact O-CB 3.49Å; L111-W203 HydrophobicContact CD2-CD2 4.43Å; L111-W203 HydrophobicContact CD2-CE3 3.57Å; L111-W203 HydrophobicContact CD2-CH2 4.36Å; L111-W203 HydrophobicContact CD2-CZ3 3.54Å
112	R	77.9	Confident	73.9	Confident	119 Å²	119	51.3 Å²	51.3	45%	0.449	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.8	174.7	-71.2	169.9	177.4	159.3	-1.3	114.3	M108 H110 E171	M108-R112 WeakPolarHBondContact O-CB 3.49Å; M108-R112 VanDerWaalsContact O-CG 3.3Å; M108-R112 WeakPolarHBondContact O-CG 3.4Å; M108-R112 PolarHBondContact O-N 3.19Å; H110-R112 VanDerWaalsContact C-N 3.33Å; H110-R112 PolarHBondContact O-N 3.2Å; R112-E171 IonicContact CZ-OE2 3.85Å; R112-E171 IonicContact NE-OE2 3.43Å; R112-E171 IonicContact NH2-OE2 3.81Å; R112-E171 PolarHBondContact NH2-OE2 2.82Å
113	C	78	Confident	74.2	Confident	39 Å²	39	57.1 Å²	57.1	26%	0.264	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.4	174.5	-69.7	0	0	0	0	114.3	N109 H110 L111 V121 L122	N109-C113 PolarHBondContact O-SG 3.48Å; H110-C113 WeakPolarHBondContact O-CA 3.37Å; H110-C113 WeakPolarHBondContact O-CB 3.11Å; H110-C113 PolarHBondContact O-N 3.39Å; L111-C113 PolarHBondContact O-N 2.72Å; C113-V121 CarbonylContact O-C 3.28Å; C113-V121 WeakPolarHBondContact O-CA 3.42Å; C113-L122 PolarHBondContact O-N 3.18Å
114	L	80.1	Confident	74.3	Confident	10 Å²	10	60 Å²	60	5%	0.052	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-113.4	156.4	-175.1	-56.6	-177.2	0	0	0	112.2	H110 L111 V121 P175 W203	H110-L114 WeakPolarHBondContact O-CG 3.08Å; L111-L114 PolarHBondContact O-N 2.69Å; L114-V121 HydrophobicContact CD2-CB 4.2Å; L114-V121 HydrophobicContact CD2-CG2 3.61Å; L114-P175 HydrophobicContact CB-CG 4.26Å; L114-P175 WeakPolarHBondContact O-CB 3.46Å; L114-W203 HydrophobicContact CB-CH2 4.37Å; L114-W203 HydrophobicContact CD1-CH2 3.57Å; L114-W203 HydrophobicContact CD1-CZ3 4Å
115	C	84.1	Confident	74.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.			trans	-90.3	120.6	175.9	176.9	0	0	0	0	111.4	I117 C118 G119 M120 L122 C179	C115-I117 PolarHBondContact O-N 2.8Å; C115-I117 VanDerWaalsContact O-N 3.08Å; C115-C118 PolarHBondContact O-N 3.18Å; C115-C118 PolarHBondContact SG-SG 3.18Å; C115-G119 WeakPolarHBondContact O-CA 3.34Å; C115-G119 PolarHBondContact O-N 2.77Å; C115-M120 WeakPolarHBondContact CB-O 3.49Å; C115-M120 PolarHBondContact N-O 2.65Å; C115-L122 HydrophobicContact CB-CD2 3.83Å; C115-C179 HydrophobicContact CB-CB 4.32Å; C115-C179 PolarHBondContact SG-N 3.36Å
116	R	83.2	Confident	73.7	Confident	15 Å²	15	62.7 Å²	62.7	6%	0.057	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-41.2	179.4	-175.9	51.7	175.6	89.1	3.6	114.9	V132 D169 P175 S177	R116-V132 HydrophobicContact CB-CG2 3.95Å; R116-V132 HydrophobicContact CG-CG2 4.17Å; R116-D169 IonicContact CZ-OD1 2.77Å; R116-D169 IonicContact CZ-OD2 2.61Å; R116-D169 IonicContact NE-OD1 2.79Å; R116-D169 PolarHBondContact NE-OD1 3.23Å; R116-D169 IonicContact NE-OD2 2.8Å; R116-D169 PolarHBondContact NE-OD2 2.95Å; R116-D169 IonicContact NH2-OD1 3.11Å; R116-D169 PolarHBondContact NH2-OD1 3.28Å; R116-D169 IonicContact NH2-OD2 2.71Å; R116-D169 PolarHBondContact NH2-OD2 2.81Å; R116-P175 HydrophobicContact CB-CB 4.39Å; R116-P175 WeakPolarHBondContact CB-O 3.44Å; R116-S177 PolarHBondContact N-O 3.49Å
117	I	77.8	Confident	73.8	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-27.1	-169.3	-58.2	166.2	0	0	0	112.5	C115 L158 F162 F178 C182	C115-I117 PolarHBondContact O-N 2.8Å; C115-I117 VanDerWaalsContact O-N 3.08Å; I117-L158 HydrophobicContact CD1-CD2 3.55Å; I117-F162 HydrophobicContact CD1-CD2 4.15Å; I117-F162 HydrophobicContact CD1-CE2 3.93Å; I117-F162 HydrophobicContact CG2-CD1 4.1Å; I117-F162 HydrophobicContact CG2-CD2 4.3Å; I117-F162 HydrophobicContact CG2-CE1 4.24Å; I117-F162 HydrophobicContact CG2-CE2 4.42Å; I117-F162 HydrophobicContact CG2-CG 4.13Å; I117-F162 HydrophobicContact CG2-CZ 4.4Å; I117-F178 HydrophobicContact CD1-CB 3.64Å; I117-F178 HydrophobicContact CD1-CD2 3.75Å; I117-F178 HydrophobicContact CD1-CG 3.75Å; I117-F178 HydrophobicContact CG1-CB 4.13Å; I117-C182 HydrophobicContact CB-CB 4.3Å; I117-C182 HydrophobicContact CD1-CB 3.77Å; I117-C182 HydrophobicContact CG2-CB 4.33Å
118	C	76.9	Confident	74	Confident	39 Å²	39	63.9 Å²	63.9	26%	0.264	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	6.5	-171.2	71.9	0	0	0	0	115.8	C115 M120	C115-C118 PolarHBondContact O-N 3.18Å; C115-C118 PolarHBondContact SG-SG 3.18Å; C118-M120 PolarHBondContact O-N 2.8Å
119	G	71.5	Confident	74.2	Confident	26 Å²	26	66 Å²	66	27%	0.268	33%	0.334	S	S	.	.			trans	66.4	-6.3	176.5	0	0	0	0	0	116.2	C115	C115-G119 WeakPolarHBondContact O-CA 3.34Å; C115-G119 PolarHBondContact O-N 2.77Å
120	M	76.1	Confident	74.6	Confident	98 Å²	98	64 Å²	64	48%	0.483	32%	0.322	S	S	.	.			trans	-72.5	137.9	-175.8	-73.2	-65.3	-68.8	0	0	112.4	C115 C118 L122	C115-M120 WeakPolarHBondContact CB-O 3.49Å; C115-M120 PolarHBondContact N-O 2.65Å; C118-M120 PolarHBondContact O-N 2.8Å; M120-L122 PolarHBondContact O-N 3.42Å
121	V	77.1	Confident	75.1	Confident	48 Å²	48	64.3 Å²	64.3	29%	0.291	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-58.7	120.8	173.6	-176.1	0	0	0	0	110.1	C113 L114 R123 K124	C113-V121 CarbonylContact O-C 3.28Å; C113-V121 WeakPolarHBondContact O-CA 3.42Å; L114-V121 HydrophobicContact CD2-CB 4.2Å; L114-V121 HydrophobicContact CD2-CG2 3.61Å; V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 HydrophobicContact CG1-CB 4.2Å; V121-R123 PolarHBondContact O-N 3.06Å; V121-K124 HydrophobicContact CB-CD 4.49Å; V121-K124 HydrophobicContact CB-CG 4.37Å; V121-K124 WeakPolarHBondContact O-CB 3.3Å; V121-K124 PolarHBondContact O-N 3.21Å
122	L	77.1	Confident	75.4	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.11	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-56.1	-39.8	-175.4	-63.3	174.7	0	0	0	111.8	C113 C115 M120 K124 V125 V129 C179	C113-L122 PolarHBondContact O-N 3.18Å; C115-L122 HydrophobicContact CB-CD2 3.83Å; M120-L122 PolarHBondContact O-N 3.42Å; L122-K124 PolarHBondContact O-N 2.79Å; L122-V125 PolarHBondContact O-N 3.02Å; L122-V129 HydrophobicContact CB-CG2 4.29Å; L122-V129 HydrophobicContact CD1-CG1 3.92Å; L122-V129 HydrophobicContact CD1-CG2 4.07Å; L122-V129 HydrophobicContact CD2-CG2 4.43Å; L122-V129 HydrophobicContact CG-CG2 4.5Å; L122-C179 HydrophobicContact CD2-CB 3.79Å
123	R	68.1	Low	75.4	Confident	225 Å²	225	63 Å²	63	85%	0.849	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18.1	175.5	-60.4	-172.7	-174.4	-172.3	2.8	114.7	V121	V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 HydrophobicContact CG1-CB 4.2Å; V121-R123 PolarHBondContact O-N 3.06Å
124	K	65.3	Low	75.3	Confident	166 Å²	166	62.2 Å²	62.2	72%	0.722	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-91	-6.5	175.5	-67.1	-174.4	177.1	-179.6	0	113.3	V121 L122	V121-K124 HydrophobicContact CB-CD 4.49Å; V121-K124 HydrophobicContact CB-CG 4.37Å; V121-K124 WeakPolarHBondContact O-CB 3.3Å; V121-K124 PolarHBondContact O-N 3.21Å; L122-K124 PolarHBondContact O-N 2.79Å
125	V	64.1	Low	75.1	Confident	22 Å²	22	68 Å²	68	13%	0.133	36%	0.355	C	S	.	.	S	Bend	trans	-109.2	117.8	-178.3	-172.4	0	0	0	0	109.7	L122 G127 C179 R181	L122-V125 PolarHBondContact O-N 3.02Å; V125-G127 PolarHBondContact O-N 2.71Å; V125-C179 HydrophobicContact CB-CB 4.18Å; V125-C179 HydrophobicContact CG1-CB 4Å; V125-C179 HydrophobicContact CG2-CB 4.25Å; V125-R181 HydrophobicContact CG1-CB 4.35Å; V125-R181 HydrophobicContact CG1-CG 3.82Å
126	K	56.5	Low	74.6	Confident	203 Å²	203	68.1 Å²	68.1	88%	0.883	36%	0.356	S	S	*	.			trans	-71.4	112.7	175.5	-69	-172.6	177.3	-176.1	0	110.8
127	G	70.6	Confident	74.2	Confident	43 Å²	43	70.4 Å²	70.4	44%	0.443	37%	0.369	S	S	.	.	S	Bend	trans	155.6	176	173.6	0	0	0	0	0	111.6	V125	V125-G127 PolarHBondContact O-N 2.71Å
128	P	75.6	Confident	73.9	Confident	74 Å²	74	75.6 Å²	75.6	48%	0.481	40%	0.397	S	S	.	.			trans	-62.9	168.2	167.7	26.9	-34.3	0	0	0	112.5	H180	P128-H180 HydrophobicContact CG-CB 4.24Å; P128-H180 WeakPolarHBondContact O-CB 3.23Å; P128-H180 PolarHBondContact O-N 2.94Å
129	V	78.5	Confident	73.5	Confident	73 Å²	73	76.9 Å²	76.9	44%	0.442	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.9	170.6	176.6	0	0	0	0	107.3	L122 S177	L122-V129 HydrophobicContact CB-CG2 4.29Å; L122-V129 HydrophobicContact CD1-CG1 3.92Å; L122-V129 HydrophobicContact CD1-CG2 4.07Å; L122-V129 HydrophobicContact CD2-CG2 4.43Å; L122-V129 HydrophobicContact CG-CG2 4.5Å; V129-S177 VanDerWaalsContact CG1-CB 3.4Å
130	H	80.5	Confident	73.3	Confident	31 Å²	31	75.7 Å²	75.7	14%	0.144	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.1	-178.9	-55.1	-94.9	0	0	0	109	S177 F178 H180 W183	H130-S177 CarbonylContact O-C 3.59Å; H130-S177 VanDerWaalsContact O-CA 3.27Å; H130-S177 WeakPolarHBondContact O-CA 3.48Å; H130-S177 WeakPolarHBondContact O-CB 3.35Å; H130-F178 HydrophobicContact CB-CD1 4.21Å; H130-F178 HydrophobicContact CB-CD2 4.42Å; H130-F178 HydrophobicContact CB-CE1 3.77Å; H130-F178 HydrophobicContact CB-CE2 4.02Å; H130-F178 HydrophobicContact CB-CZ 3.67Å; H130-F178 PolarHBondContact N-O 3.46Å; H130-F178 WeakPolarHBondContact O-CD1 3.41Å; H130-F178 PolarHBondContact O-N 2.31Å; H130-H180 AromaticContact NE2-CD2 3.67Å; H130-W183 AromaticContact CD2-CD1 3.86Å; H130-W183 AromaticContact CD2-CG 3.77Å; H130-W183 AromaticContact CE1-CD1 3.48Å; H130-W183 VanDerWaalsContact CE1-CD1 3.48Å; H130-W183 AromaticContact CE1-CD2 3.79Å; H130-W183 AromaticContact CE1-CE2 3.82Å; H130-W183 AromaticContact CE1-CG 3.63Å; H130-W183 AromaticContact CE1-NE1 3.58Å; H130-W183 AromaticContact CG-CD1 3.65Å; H130-W183 AromaticContact ND1-CD1 3.41Å; H130-W183 AromaticContact ND1-CG 3.96Å; H130-W183 AromaticContact ND1-NE1 3.65Å; H130-W183 AromaticContact NE2-CD1 3.77Å; H130-W183 AromaticContact NE2-CD2 3.84Å; H130-W183 AromaticContact NE2-CG 3.51Å
131	D	83.3	Confident	73.2	Confident	92 Å²	92	73.6 Å²	73.6	49%	0.492	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.2	-175.8	-59.8	-46.5	0	0	0	111.8	H133 G134 S177	D131-H133 VanDerWaalsContact C-N 3.3Å; D131-H133 PolarHBondContact O-N 2.79Å; D131-G134 PolarHBondContact O-N 2.52Å; D131-G134 VanDerWaalsContact O-N 3.15Å; D131-S177 WeakPolarHBondContact OD1-CB 3.33Å; D131-S177 PolarHBondContact OD1-OG 2.31Å
132	V	80.8	Confident	72.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35	-170.9	169.9	0	0	0	0	111.9	R116 W154 P155 L158 V166 L176 F178	R116-V132 HydrophobicContact CB-CG2 3.95Å; R116-V132 HydrophobicContact CG-CG2 4.17Å; V132-W154 WeakPolarHBondContact O-CB 3.24Å; V132-P155 WeakPolarHBondContact O-CD 3.17Å; V132-P155 WeakPolarHBondContact O-CG 3.45Å; V132-L158 HydrophobicContact CB-CD1 4.44Å; V132-L158 HydrophobicContact CG1-CD1 3.96Å; V132-L158 HydrophobicContact CG2-CD1 4.44Å; V132-V166 HydrophobicContact CG1-CB 3.52Å; V132-V166 HydrophobicContact CG1-CG1 3.86Å; V132-V166 HydrophobicContact CG1-CG2 3.61Å; V132-L176 WeakPolarHBondContact CB-O 3.43Å; V132-L176 VanDerWaalsContact CG2-O 3.31Å; V132-L176 WeakPolarHBondContact CG2-O 3.29Å; V132-L176 PolarHBondContact N-O 3.35Å; V132-F178 HydrophobicContact CG2-CD1 3.84Å
133	H	79.2	Confident	72.3	Confident	92 Å²	92	75.2 Å²	75.2	43%	0.426	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	10.7	178.3	-56.3	-97.2	0	0	0	113.4	D131 V166	D131-H133 VanDerWaalsContact C-N 3.3Å; D131-H133 PolarHBondContact O-N 2.79Å; H133-V166 PolarHBondContact CE1-O 2.83Å
134	G	75.9	Confident	72.3	Confident	24 Å²	24	65 Å²	65	25%	0.247	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.8	157.8	-179.2	0	0	0	0	0	113.2	D131 W154	D131-G134 PolarHBondContact O-N 2.52Å; D131-G134 VanDerWaalsContact O-N 3.15Å; G134-W154 VanDerWaalsContact O-CD1 3.23Å; G134-W154 PolarHBondContact O-N 3.24Å
135	D	74.8	Confident	72.6	Confident	131 Å²	131	64.7 Å²	64.7	70%	0.701	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-65.4	151.5	161.1	-86.9	-48	0	0	0	111.1	W154	D135-W154 PolarHBondContact O-NE1 3.45Å
136	L	73.2	Confident	72.7	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.016	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.8	132.2	169.8	-71.1	160.6	0	0	0	110.8	K141 L144 F151 T152 W154 I157	L136-K141 HydrophobicContact CB-CD 4.25Å; L136-K141 HydrophobicContact CB-CG 3.62Å; L136-K141 WeakPolarHBondContact O-CD 3.32Å; L136-K141 WeakPolarHBondContact O-CE 3.26Å; L136-K141 PolarHBondContact O-NZ 2.8Å; L136-L144 HydrophobicContact CD1-CD1 4Å; L136-L144 HydrophobicContact CD2-CD1 4.11Å; L136-F151 HydrophobicContact CD1-CB 4Å; L136-F151 WeakPolarHBondContact CD1-O 2.94Å; L136-T152 WeakPolarHBondContact CD1-O 3.46Å; L136-T152 PolarHBondContact N-O 3.32Å; L136-W154 HydrophobicContact CD2-CD2 3.69Å; L136-W154 HydrophobicContact CD2-CE3 4.04Å; L136-W154 HydrophobicContact CD2-CG 4.27Å; L136-W154 HydrophobicContact CD2-CH2 3.8Å; L136-W154 HydrophobicContact CD2-CZ2 3.42Å; L136-W154 VanDerWaalsContact CD2-CZ2 3.42Å; L136-W154 HydrophobicContact CD2-CZ3 4.11Å; L136-I157 HydrophobicContact CD1-CD1 3.55Å; L136-I157 HydrophobicContact CD2-CD1 3.47Å; L136-I157 VanDerWaalsContact CD2-CD1 3.47Å; L136-I157 HydrophobicContact CG-CD1 4.01Å
137	D	75.2	Confident	72.8	Confident	62 Å²	62	66.2 Å²	66.2	33%	0.332	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-66.3	153.8	169.1	66	-83	0	0	0	111.2	A139 S140 K141	D137-A139 PolarHBondContact O-N 2.98Å; D137-A139 WeakPolarHBondContact OD2-CB 3.27Å; D137-A139 PolarHBondContact OD2-N 3.26Å; D137-S140 VanDerWaalsContact CG-OG 3.28Å; D137-S140 WeakPolarHBondContact O-CB 3.49Å; D137-S140 PolarHBondContact O-N 2.95Å; D137-S140 VanDerWaalsContact O-N 3.09Å; D137-S140 WeakPolarHBondContact OD1-CB 3.42Å; D137-S140 PolarHBondContact OD1-OG 3.26Å; D137-S140 PolarHBondContact OD2-N 3.42Å; D137-S140 PolarHBondContact OD2-OG 2.96Å; D137-K141 PolarHBondContact O-N 2.76Å
138	D	71.3	Confident	72.2	Confident	115 Å²	115	67.4 Å²	67.4	62%	0.615	38%	0.375	S	S	*	.	H	α-helix	trans	-66.1	-22.3	-174	-74.9	-49.1	0	0	0	114.2	K141 C142	D138-K141 WeakPolarHBondContact OD1-CD 3.47Å; D138-C142 WeakPolarHBondContact O-CB 3.31Å; D138-C142 PolarHBondContact O-N 3.11Å
139	A	68.2	Low	71.5	Confident	66 Å²	66	66 Å²	66	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-70.9	-46.2	171.8	0	0	0	0	0	110.8	D137 C142 V143	D137-A139 PolarHBondContact O-N 2.98Å; D137-A139 WeakPolarHBondContact OD2-CB 3.27Å; D137-A139 PolarHBondContact OD2-N 3.26Å; A139-C142 WeakPolarHBondContact O-CB 3.24Å; A139-C142 PolarHBondContact O-N 3Å; A139-C142 VanDerWaalsContact O-N 3.16Å; A139-V143 WeakPolarHBondContact O-CG2 3.37Å; A139-V143 PolarHBondContact O-N 3.44Å
140	S	68.8	Low	70.9	Confident	1 Å²	1	72 Å²	72	1%	0.007	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-47.3	170.8	-64.7	0	0	0	0	111.8	D137 C142 V143 L144	D137-S140 VanDerWaalsContact CG-OG 3.28Å; D137-S140 WeakPolarHBondContact O-CB 3.49Å; D137-S140 PolarHBondContact O-N 2.95Å; D137-S140 VanDerWaalsContact O-N 3.09Å; D137-S140 WeakPolarHBondContact OD1-CB 3.42Å; D137-S140 PolarHBondContact OD1-OG 3.26Å; D137-S140 PolarHBondContact OD2-N 3.42Å; D137-S140 PolarHBondContact OD2-OG 2.96Å; S140-C142 PolarHBondContact O-N 3.19Å; S140-V143 PolarHBondContact O-N 3.43Å; S140-V143 VanDerWaalsContact O-N 3.15Å; S140-L144 WeakPolarHBondContact O-CG 3.28Å; S140-L144 PolarHBondContact O-N 3.4Å
141	K	72.8	Confident	70.6	Confident	53 Å²	53	72.9 Å²	72.9	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-58.6	-32.1	174.1	-70	166.4	165.5	147	0	112.4	L136 D137 D138 R145	L136-K141 HydrophobicContact CB-CD 4.25Å; L136-K141 HydrophobicContact CB-CG 3.62Å; L136-K141 WeakPolarHBondContact O-CD 3.32Å; L136-K141 WeakPolarHBondContact O-CE 3.26Å; L136-K141 PolarHBondContact O-NZ 2.8Å; D137-K141 PolarHBondContact O-N 2.76Å; D138-K141 WeakPolarHBondContact OD1-CD 3.47Å; K141-R145 WeakPolarHBondContact O-CB 3.31Å; K141-R145 VanDerWaalsContact O-CG 3.28Å; K141-R145 WeakPolarHBondContact O-CG 3.47Å; K141-R145 PolarHBondContact O-N 2.71Å; K141-R145 PolarHBondContact O-NE 2.98Å
142	C	68.3	Low	69.9	Low	49 Å²	49	73.1 Å²	73.1	33%	0.331	40%	0.395	S	S	.	.	H	α-helix	trans	-75.6	-39	176.4	-170	0	0	0	0	112.3	D138 A139 S140 K146	D138-C142 WeakPolarHBondContact O-CB 3.31Å; D138-C142 PolarHBondContact O-N 3.11Å; A139-C142 WeakPolarHBondContact O-CB 3.24Å; A139-C142 PolarHBondContact O-N 3Å; A139-C142 VanDerWaalsContact O-N 3.16Å; S140-C142 PolarHBondContact O-N 3.19Å; C142-K146 WeakPolarHBondContact O-CD 3.3Å; C142-K146 WeakPolarHBondContact O-CG 3.45Å; C142-K146 PolarHBondContact O-N 3.35Å; C142-K146 PolarHBondContact SG-NZ 3.13Å
143	V	67.5	Low	69.8	Low	55 Å²	55	74.5 Å²	74.5	33%	0.333	41%	0.405	S	S	.	.	H	α-helix	trans	-69	-44.8	177.5	174	0	0	0	0	111.2	A139 S140 K146 M147 I187	A139-V143 WeakPolarHBondContact O-CG2 3.37Å; A139-V143 PolarHBondContact O-N 3.44Å; S140-V143 PolarHBondContact O-N 3.43Å; S140-V143 VanDerWaalsContact O-N 3.15Å; V143-K146 WeakPolarHBondContact O-CB 3.45Å; V143-K146 PolarHBondContact O-N 3.21Å; V143-K146 VanDerWaalsContact O-N 3.16Å; V143-M147 HydrophobicContact CG1-CE 3.94Å; V143-M147 PolarHBondContact O-N 2.89Å; V143-I187 HydrophobicContact CB-CG2 4.27Å; V143-I187 HydrophobicContact CG1-CG2 3.66Å
144	L	67.1	Low	69.9	Low	11 Å²	11	70.5 Å²	70.5	6%	0.058	39%	0.386	C	S	.	.	H	α-helix	trans	-66.9	-39.9	-179.6	-68.4	165.7	0	0	0	112.4	L136 S140 K146 M147 G148 C149 I157 I187	L136-L144 HydrophobicContact CD1-CD1 4Å; L136-L144 HydrophobicContact CD2-CD1 4.11Å; S140-L144 WeakPolarHBondContact O-CG 3.28Å; S140-L144 PolarHBondContact O-N 3.4Å; L144-K146 PolarHBondContact O-N 3.17Å; L144-M147 CarbonylContact O-C 3.54Å; L144-M147 WeakPolarHBondContact O-CA 3.38Å; L144-M147 PolarHBondContact O-N 3.27Å; L144-G148 PolarHBondContact O-N 2.93Å; L144-C149 CarbonylContact C-O 3.58Å; L144-C149 VanDerWaalsContact C-O 3.32Å; L144-C149 HydrophobicContact CB-CB 4.45Å; L144-C149 PolarHBondContact O-N 3.49Å; L144-I157 HydrophobicContact CD1-CD1 3.48Å; L144-I157 VanDerWaalsContact CD1-CD1 3.48Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å; L144-I187 HydrophobicContact CD1-CD1 3.9Å; L144-I187 HydrophobicContact CD2-CD1 4.07Å; L144-I187 HydrophobicContact CG-CD1 3.96Å
145	R	71.6	Confident	70.1	Confident	158 Å²	158	70.1 Å²	70.1	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-58.7	-34.7	171.9	-81.3	-177.1	-80.2	-172.6	-5.9	112.5	K141 M147 G148 C149	K141-R145 WeakPolarHBondContact O-CB 3.31Å; K141-R145 VanDerWaalsContact O-CG 3.28Å; K141-R145 WeakPolarHBondContact O-CG 3.47Å; K141-R145 PolarHBondContact O-N 2.71Å; K141-R145 PolarHBondContact O-NE 2.98Å; R145-M147 PolarHBondContact O-N 2.74Å; R145-G148 PolarHBondContact O-N 3.15Å; R145-G148 VanDerWaalsContact O-N 3.14Å; R145-C149 PolarHBondContact N-O 3.27Å
146	K	66.1	Low	70.1	Confident	166 Å²	166	67 Å²	67	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.3	174.4	-72.2	165.4	180	163.4	0	113.9	C142 V143 L144	C142-K146 WeakPolarHBondContact O-CD 3.3Å; C142-K146 WeakPolarHBondContact O-CG 3.45Å; C142-K146 PolarHBondContact O-N 3.35Å; C142-K146 PolarHBondContact SG-NZ 3.13Å; V143-K146 WeakPolarHBondContact O-CB 3.45Å; V143-K146 PolarHBondContact O-N 3.21Å; V143-K146 VanDerWaalsContact O-N 3.16Å; L144-K146 PolarHBondContact O-N 3.17Å
147	M	58.7	Low	70.3	Confident	91 Å²	91	67 Å²	67	45%	0.448	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	18.3	169.4	-56.7	-170.9	-170.8	0	0	112.3	V143 L144 R145 C149 I187	V143-M147 HydrophobicContact CG1-CE 3.94Å; V143-M147 PolarHBondContact O-N 2.89Å; L144-M147 CarbonylContact O-C 3.54Å; L144-M147 WeakPolarHBondContact O-CA 3.38Å; L144-M147 PolarHBondContact O-N 3.27Å; R145-M147 PolarHBondContact O-N 2.74Å; M147-C149 PolarHBondContact O-N 2.89Å; M147-C149 VanDerWaalsContact O-N 3.16Å; M147-C149 PolarHBondContact O-SG 3Å; M147-I187 WeakPolarHBondContact CE-O 3.37Å
148	G	58.3	Low	70.3	Confident	68 Å²	68	64.1 Å²	64.1	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	2.6	-179.4	0	0	0	0	0	115.2	L144 R145	L144-G148 PolarHBondContact O-N 2.93Å; R145-G148 PolarHBondContact O-N 3.15Å; R145-G148 VanDerWaalsContact O-N 3.14Å
149	C	60.8	Low	70.5	Confident	45 Å²	45	62.4 Å²	62.4	30%	0.304	34%	0.337	S	S	.	.			trans	-95	126	-173.8	-68.6	0	0	0	0	111.8	L144 R145 M147 F151	L144-C149 CarbonylContact C-O 3.58Å; L144-C149 VanDerWaalsContact C-O 3.32Å; L144-C149 HydrophobicContact CB-CB 4.45Å; L144-C149 PolarHBondContact O-N 3.49Å; R145-C149 PolarHBondContact N-O 3.27Å; M147-C149 PolarHBondContact O-N 2.89Å; M147-C149 VanDerWaalsContact O-N 3.16Å; M147-C149 PolarHBondContact O-SG 3Å; C149-F151 HydrophobicContact CB-CD2 3.84Å; C149-F151 HydrophobicContact CB-CE2 3.68Å
150	K	66.8	Low	70.6	Confident	199 Å²	199	66.4 Å²	66.4	87%	0.865	34%	0.342	S	S	*	.			trans	-105.4	65.5	179	-63.9	-176.9	-178.7	178.3	0	111.4
151	F	73.6	Confident	70.6	Confident	49 Å²	49	68.5 Å²	68.5	22%	0.215	36%	0.355	C	S	.	.			trans	-93.4	145.7	172	-60.9	-62.1	0	0	0	111.2	L136 C149 D156 I157 K160	L136-F151 HydrophobicContact CD1-CB 4Å; L136-F151 WeakPolarHBondContact CD1-O 2.94Å; C149-F151 HydrophobicContact CB-CD2 3.84Å; C149-F151 HydrophobicContact CB-CE2 3.68Å; F151-D156 HydrophobicContact CD1-CB 3.53Å; F151-D156 HydrophobicContact CE1-CB 4.12Å; F151-D156 HydrophobicContact CG-CB 4.25Å; F151-I157 HydrophobicContact CB-CD1 3.96Å; F151-I157 HydrophobicContact CB-CG1 3.82Å; F151-I157 HydrophobicContact CD2-CD1 4.48Å; F151-I157 HydrophobicContact CD2-CG1 3.73Å; F151-I157 HydrophobicContact CG-CD1 4.45Å; F151-I157 HydrophobicContact CG-CG1 3.78Å; F151-K160 HydrophobicContact CE1-CD 4.26Å; F151-K160 HydrophobicContact CE2-CD 4.31Å; F151-K160 HydrophobicContact CZ-CD 3.51Å
152	T	68.8	Low	70.5	Confident	98 Å²	98	67.6 Å²	67.6	60%	0.601	35%	0.351	S	S	*	.			trans	-107.9	-37.4	178.2	43.6	0	0	0	0	112	L136	L136-T152 WeakPolarHBondContact CD1-O 3.46Å; L136-T152 PolarHBondContact N-O 3.32Å
153	S	79.8	Confident	70.6	Confident	29 Å²	29	74.2 Å²	74.2	20%	0.203	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-111.8	163.1	-175.2	83.7	0	0	0	0	113.3	P155 D156	S153-P155 WeakPolarHBondContact OG-CD 3.39Å; S153-D156 VanDerWaalsContact OG-CG 3.25Å; S153-D156 PolarHBondContact OG-OD2 2.82Å
154	W	80.4	Confident	70.8	Confident	8 Å²	8	72.5 Å²	72.5	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-69.3	-41.6	169.8	-82.2	110.1	0	0	0	114.9	V132 G134 D135 L136 D156 I157 L158 F178 W183 A186 I187	V132-W154 WeakPolarHBondContact O-CB 3.24Å; G134-W154 VanDerWaalsContact O-CD1 3.23Å; G134-W154 PolarHBondContact O-N 3.24Å; D135-W154 PolarHBondContact O-NE1 3.45Å; L136-W154 HydrophobicContact CD2-CD2 3.69Å; L136-W154 HydrophobicContact CD2-CE3 4.04Å; L136-W154 HydrophobicContact CD2-CG 4.27Å; L136-W154 HydrophobicContact CD2-CH2 3.8Å; L136-W154 HydrophobicContact CD2-CZ2 3.42Å; L136-W154 VanDerWaalsContact CD2-CZ2 3.42Å; L136-W154 HydrophobicContact CD2-CZ3 4.11Å; W154-D156 VanDerWaalsContact C-N 3.32Å; W154-D156 PolarHBondContact O-N 2.89Å; W154-I157 HydrophobicContact CE3-CB 4.44Å; W154-I157 HydrophobicContact CE3-CD1 4.17Å; W154-I157 HydrophobicContact CE3-CG2 4.47Å; W154-I157 HydrophobicContact CZ3-CD1 4.25Å; W154-I157 HydrophobicContact CZ3-CG2 4.29Å; W154-I157 PolarHBondContact O-N 2.77Å; W154-L158 WeakPolarHBondContact O-CG 3.2Å; W154-L158 PolarHBondContact O-N 3.2Å; W154-F178 HydrophobicContact CD2-CE1 4.4Å; W154-F178 AromaticContact CD2-CZ 3.8Å; W154-F178 HydrophobicContact CD2-CZ 3.8Å; W154-F178 HydrophobicContact CE3-CE2 4.46Å; W154-F178 AromaticContact CE3-CZ 3.69Å; W154-F178 HydrophobicContact CE3-CZ 3.69Å; W154-F178 HydrophobicContact CG-CE1 4.45Å; W154-F178 HydrophobicContact CG-CZ 4.31Å; W154-F178 HydrophobicContact CZ3-CE2 4.47Å; W154-F178 HydrophobicContact CZ3-CZ 4.07Å; W154-W183 AromaticContact CH2-CD1 3.18Å; W154-W183 HydrophobicContact CH2-CG 4.23Å; W154-W183 AromaticContact CH2-NE1 3.2Å; W154-W183 AromaticContact CZ2-CD1 3.35Å; W154-W183 AromaticContact CZ2-NE1 3.15Å; W154-A186 HydrophobicContact CZ3-CB 4.13Å; W154-I187 HydrophobicContact CH2-CD1 3.71Å; W154-I187 HydrophobicContact CH2-CG1 3.84Å; W154-I187 HydrophobicContact CZ3-CD1 4.22Å; W154-I187 HydrophobicContact CZ3-CG1 4.44Å
155	P	80.8	Confident	71.2	Confident	15 Å²	15	75.8 Å²	75.8	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-51.5	-44.1	179.4	-33.3	39	0	0	0	114.6	V132 S153 I157 L158 L159 V166 T167	V132-P155 WeakPolarHBondContact O-CD 3.17Å; V132-P155 WeakPolarHBondContact O-CG 3.45Å; S153-P155 WeakPolarHBondContact OG-CD 3.39Å; P155-I157 PolarHBondContact O-N 3.06Å; P155-L158 PolarHBondContact O-N 2.69Å; P155-L158 VanDerWaalsContact O-N 3.15Å; P155-L159 WeakPolarHBondContact O-CB 3.28Å; P155-L159 PolarHBondContact O-N 2.82Å; P155-V166 HydrophobicContact CB-CG2 3.73Å; P155-V166 HydrophobicContact CG-CG2 4.08Å; P155-T167 HydrophobicContact CB-CG2 4.07Å
156	D	75.2	Confident	71.5	Confident	67 Å²	67	68.3 Å²	68.3	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-40.4	178.7	-57.7	-55.4	0	0	0	112.6	F151 S153 W154 K160	F151-D156 HydrophobicContact CD1-CB 3.53Å; F151-D156 HydrophobicContact CE1-CB 4.12Å; F151-D156 HydrophobicContact CG-CB 4.25Å; S153-D156 VanDerWaalsContact OG-CG 3.25Å; S153-D156 PolarHBondContact OG-OD2 2.82Å; W154-D156 VanDerWaalsContact C-N 3.32Å; W154-D156 PolarHBondContact O-N 2.89Å; D156-K160 VanDerWaalsContact O-CB 3.3Å; D156-K160 WeakPolarHBondContact O-CB 3.3Å; D156-K160 PolarHBondContact O-N 2.64Å
157	I	75.6	Confident	71.9	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-76.7	-38.8	-178.2	-65	158.5	0	0	0	110.4	L136 L144 F151 W154 P155 K160 V161 A186	L136-I157 HydrophobicContact CD1-CD1 3.55Å; L136-I157 HydrophobicContact CD2-CD1 3.47Å; L136-I157 VanDerWaalsContact CD2-CD1 3.47Å; L136-I157 HydrophobicContact CG-CD1 4.01Å; L144-I157 HydrophobicContact CD1-CD1 3.48Å; L144-I157 VanDerWaalsContact CD1-CD1 3.48Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å; F151-I157 HydrophobicContact CB-CD1 3.96Å; F151-I157 HydrophobicContact CB-CG1 3.82Å; F151-I157 HydrophobicContact CD2-CD1 4.48Å; F151-I157 HydrophobicContact CD2-CG1 3.73Å; F151-I157 HydrophobicContact CG-CD1 4.45Å; F151-I157 HydrophobicContact CG-CG1 3.78Å; W154-I157 HydrophobicContact CE3-CB 4.44Å; W154-I157 HydrophobicContact CE3-CD1 4.17Å; W154-I157 HydrophobicContact CE3-CG2 4.47Å; W154-I157 HydrophobicContact CZ3-CD1 4.25Å; W154-I157 HydrophobicContact CZ3-CG2 4.29Å; W154-I157 PolarHBondContact O-N 2.77Å; P155-I157 PolarHBondContact O-N 3.06Å; I157-K160 PolarHBondContact O-N 3.11Å; I157-V161 HydrophobicContact CG2-CG2 3.97Å; I157-V161 VanDerWaalsContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CB 3.43Å; I157-V161 WeakPolarHBondContact O-CG2 3.19Å; I157-V161 PolarHBondContact O-N 3.03Å; I157-A186 HydrophobicContact CG2-CB 4.03Å
158	L	76.2	Confident	72.3	Confident	1 Å²	1	69 Å²	69	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-42.4	179	-64.1	-179.6	0	0	0	111.1	I117 V132 W154 P155 F162 K163 V164 V166 F178	I117-L158 HydrophobicContact CD1-CD2 3.55Å; V132-L158 HydrophobicContact CB-CD1 4.44Å; V132-L158 HydrophobicContact CG1-CD1 3.96Å; V132-L158 HydrophobicContact CG2-CD1 4.44Å; W154-L158 WeakPolarHBondContact O-CG 3.2Å; W154-L158 PolarHBondContact O-N 3.2Å; P155-L158 PolarHBondContact O-N 2.69Å; P155-L158 VanDerWaalsContact O-N 3.15Å; L158-F162 HydrophobicContact CD2-CD2 3.71Å; L158-F162 HydrophobicContact CD2-CE2 3.77Å; L158-F162 WeakPolarHBondContact O-CB 3.19Å; L158-F162 PolarHBondContact O-N 3.32Å; L158-K163 PolarHBondContact O-N 2.82Å; L158-V164 CarbonylContact C-O 3.54Å; L158-V166 HydrophobicContact CB-CG2 4.35Å; L158-V166 HydrophobicContact CD1-CG2 4.25Å; L158-F178 HydrophobicContact CD1-CD1 4.44Å; L158-F178 HydrophobicContact CD1-CE1 4.26Å
159	L	75.2	Confident	73.1	Confident	78 Å²	78	66.5 Å²	66.5	41%	0.408	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-47	171.5	179.8	58.8	0	0	0	111.4	P155 K163 V164 D165	P155-L159 WeakPolarHBondContact O-CB 3.28Å; P155-L159 PolarHBondContact O-N 2.82Å; L159-K163 WeakPolarHBondContact O-CA 3.5Å; L159-K163 PolarHBondContact O-N 3.38Å; L159-K163 VanDerWaalsContact O-N 3.07Å; L159-V164 VanDerWaalsContact CA-O 3.3Å; L159-V164 WeakPolarHBondContact CA-O 3.24Å; L159-V164 PolarHBondContact N-O 2.98Å; L159-D165 HydrophobicContact CD1-CB 4.07Å
160	K	69.8	Low	73.5	Confident	151 Å²	151	66.5 Å²	66.5	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-77.5	-31.6	-174.8	-156.5	171.4	-166.5	167.3	0	114.9	F151 D156 I157	F151-K160 HydrophobicContact CE1-CD 4.26Å; F151-K160 HydrophobicContact CE2-CD 4.31Å; F151-K160 HydrophobicContact CZ-CD 3.51Å; D156-K160 VanDerWaalsContact O-CB 3.3Å; D156-K160 WeakPolarHBondContact O-CB 3.3Å; D156-K160 PolarHBondContact O-N 2.64Å; I157-K160 PolarHBondContact O-N 3.11Å
161	V	69.9	Low	73.5	Confident	45 Å²	45	61.6 Å²	61.6	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-94.4	-37.9	-176.9	-178.6	0	0	0	0	112.7	I157	I157-V161 HydrophobicContact CG2-CG2 3.97Å; I157-V161 VanDerWaalsContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CB 3.43Å; I157-V161 WeakPolarHBondContact O-CG2 3.19Å; I157-V161 PolarHBondContact O-N 3.03Å
162	F	70.5	Confident	73	Confident	34 Å²	34	62.1 Å²	62.1	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-106.2	-8.3	-178.3	-59.3	-69.6	0	0	0	114.2	I117 L158 V164 A185 A186	I117-F162 HydrophobicContact CD1-CD2 4.15Å; I117-F162 HydrophobicContact CD1-CE2 3.93Å; I117-F162 HydrophobicContact CG2-CD1 4.1Å; I117-F162 HydrophobicContact CG2-CD2 4.3Å; I117-F162 HydrophobicContact CG2-CE1 4.24Å; I117-F162 HydrophobicContact CG2-CE2 4.42Å; I117-F162 HydrophobicContact CG2-CG 4.13Å; I117-F162 HydrophobicContact CG2-CZ 4.4Å; L158-F162 HydrophobicContact CD2-CD2 3.71Å; L158-F162 HydrophobicContact CD2-CE2 3.77Å; L158-F162 WeakPolarHBondContact O-CB 3.19Å; L158-F162 PolarHBondContact O-N 3.32Å; F162-V164 HydrophobicContact CB-CG2 4.08Å; F162-V164 PolarHBondContact O-N 3.36Å; F162-A185 HydrophobicContact CE1-CB 4.31Å; F162-A185 HydrophobicContact CZ-CB 4.06Å; F162-A186 HydrophobicContact CE2-CB 3.97Å; F162-A186 HydrophobicContact CZ-CB 4.31Å
163	K	70.4	Confident	73	Confident	188 Å²	188	59.6 Å²	59.6	82%	0.817	31%	0.31	S	S	*	.			trans	56	36.2	-171.6	-60.3	-166.7	174.3	-167.6	0	113.1	L158 L159	L158-K163 PolarHBondContact O-N 2.82Å; L159-K163 WeakPolarHBondContact O-CA 3.5Å; L159-K163 PolarHBondContact O-N 3.38Å; L159-K163 VanDerWaalsContact O-N 3.07Å
164	V	71.9	Confident	73	Confident	18 Å²	18	60 Å²	60	11%	0.109	31%	0.309	C	S	.	.			trans	-113.5	111.6	173.2	-176.6	0	0	0	0	107	L158 L159 F162 V166 V200	L158-V164 CarbonylContact C-O 3.54Å; L159-V164 VanDerWaalsContact CA-O 3.3Å; L159-V164 WeakPolarHBondContact CA-O 3.24Å; L159-V164 PolarHBondContact N-O 2.98Å; F162-V164 HydrophobicContact CB-CG2 4.08Å; F162-V164 PolarHBondContact O-N 3.36Å; V164-V166 HydrophobicContact CG1-CG1 3.86Å; V164-V200 HydrophobicContact CG2-CG1 4.39Å; V164-V200 HydrophobicContact CG2-CG2 3.74Å
165	D	75.7	Confident	73	Confident	80 Å²	80	59.7 Å²	59.7	43%	0.428	31%	0.308	S	S	.	.			trans	-69.5	140.1	162.2	-150.5	-38.6	0	0	0	108.8	L159 T167	L159-D165 HydrophobicContact CD1-CB 4.07Å; D165-T167 WeakPolarHBondContact OD1-CB 3.18Å; D165-T167 WeakPolarHBondContact OD1-CG2 3.34Å; D165-T167 PolarHBondContact OD1-N 3.43Å; D165-T167 PolarHBondContact OD1-OG1 3.4Å
166	V	77.1	Confident	73	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	31%	0.312	C	S	.	.			trans	-135.2	0.8	-178.1	-62.5	0	0	0	0	111	V132 H133 P155 L158 V164 E168 D169	V132-V166 HydrophobicContact CG1-CB 3.52Å; V132-V166 HydrophobicContact CG1-CG1 3.86Å; V132-V166 HydrophobicContact CG1-CG2 3.61Å; H133-V166 PolarHBondContact CE1-O 2.83Å; P155-V166 HydrophobicContact CB-CG2 3.73Å; P155-V166 HydrophobicContact CG-CG2 4.08Å; L158-V166 HydrophobicContact CB-CG2 4.35Å; L158-V166 HydrophobicContact CD1-CG2 4.25Å; V164-V166 HydrophobicContact CG1-CG1 3.86Å; V166-E168 PolarHBondContact O-N 3Å; V166-D169 WeakPolarHBondContact CB-OD2 2.99Å; V166-D169 WeakPolarHBondContact CG1-OD2 3.24Å; V166-D169 VanDerWaalsContact O-CB 3.31Å; V166-D169 WeakPolarHBondContact O-CB 3.29Å; V166-D169 PolarHBondContact O-N 3.15Å; V166-D169 VanDerWaalsContact O-N 3.12Å
167	T	73.9	Confident	73.4	Confident	91 Å²	91	58.4 Å²	58.4	56%	0.558	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.4	-177.4	55.5	0	0	0	0	112.5	P155 D165	P155-T167 HydrophobicContact CB-CG2 4.07Å; D165-T167 WeakPolarHBondContact OD1-CB 3.18Å; D165-T167 WeakPolarHBondContact OD1-CG2 3.34Å; D165-T167 PolarHBondContact OD1-N 3.43Å; D165-T167 PolarHBondContact OD1-OG1 3.4Å
168	E	67.9	Low	73.8	Confident	180 Å²	180	58.3 Å²	58.3	84%	0.841	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.5	175.2	-56	-173.3	158.5	0	0	113.9	V166 A170	V166-E168 PolarHBondContact O-N 3Å; E168-A170 PolarHBondContact O-N 3.3Å
169	D	75.9	Confident	74.2	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.08	30%	0.302	C	S	.	.			trans	-70.5	92.9	-177.5	-83.7	-5.9	0	0	0	113.4	R116 V166 H174	R116-D169 IonicContact CZ-OD1 2.77Å; R116-D169 IonicContact CZ-OD2 2.61Å; R116-D169 IonicContact NE-OD1 2.79Å; R116-D169 PolarHBondContact NE-OD1 3.23Å; R116-D169 IonicContact NE-OD2 2.8Å; R116-D169 PolarHBondContact NE-OD2 2.95Å; R116-D169 IonicContact NH2-OD1 3.11Å; R116-D169 PolarHBondContact NH2-OD1 3.28Å; R116-D169 IonicContact NH2-OD2 2.71Å; R116-D169 PolarHBondContact NH2-OD2 2.81Å; V166-D169 WeakPolarHBondContact CB-OD2 2.99Å; V166-D169 WeakPolarHBondContact CG1-OD2 3.24Å; V166-D169 VanDerWaalsContact O-CB 3.31Å; V166-D169 WeakPolarHBondContact O-CB 3.29Å; V166-D169 PolarHBondContact O-N 3.15Å; V166-D169 VanDerWaalsContact O-N 3.12Å; D169-H174 HydrophobicContact CB-CB 3.89Å; D169-H174 IonicContact OD1-CD2 2.76Å; D169-H174 IonicContact OD1-CE1 3.75Å; D169-H174 IonicContact OD1-CG 3.52Å; D169-H174 VanDerWaalsContact OD1-CG 3.31Å; D169-H174 IonicContact OD1-ND1 2.64Å; D169-H174 PolarHBondContact OD1-ND1 2.88Å; D169-H174 VanDerWaalsContact OD1-ND1 3.11Å
170	A	68.9	Low	74.4	Confident	45 Å²	45	57 Å²	57	37%	0.372	29%	0.293	S	S	.	.			trans	-71.9	138.6	170.7	0	0	0	0	0	113	E168 S172 I173 H174	E168-A170 PolarHBondContact O-N 3.3Å; A170-S172 PolarHBondContact O-N 3.44Å; A170-I173 PolarHBondContact O-N 3.24Å; A170-I173 VanDerWaalsContact O-N 3.08Å; A170-H174 PolarHBondContact O-N 2.75Å
171	E	67	Low	74.8	Confident	96 Å²	96	58.6 Å²	58.6	45%	0.449	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31	178.7	-50.4	-149.1	172	0	0	113.5	M108 R112 I173 L176	M108-E171 HydrophobicContact CE-CB 3.74Å; M108-E171 VanDerWaalsContact SD-O 3.33Å; R112-E171 IonicContact CZ-OE2 3.85Å; R112-E171 IonicContact NE-OE2 3.43Å; R112-E171 IonicContact NH2-OE2 3.81Å; R112-E171 PolarHBondContact NH2-OE2 2.82Å; E171-I173 PolarHBondContact O-N 3.4Å; E171-L176 HydrophobicContact CB-CD1 4Å; E171-L176 HydrophobicContact CB-CD2 4.39Å; E171-L176 HydrophobicContact CB-CG 4.46Å; E171-L176 HydrophobicContact CG-CD1 3.45Å; E171-L176 VanDerWaalsContact CG-CD1 3.45Å; E171-L176 HydrophobicContact CG-CD2 4.1Å; E171-L176 HydrophobicContact CG-CG 4.24Å; E171-L176 WeakPolarHBondContact OE1-CD1 3.33Å
172	S	62.4	Low	75.1	Confident	61 Å²	61	57.1 Å²	57.1	43%	0.427	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.2	-176	52.5	0	0	0	0	114.8	A170	A170-S172 PolarHBondContact O-N 3.44Å
173	I	68.4	Low	75.6	Confident	45 Å²	45	57.5 Å²	57.5	23%	0.231	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-36.5	-178.2	-53.8	179.1	0	0	0	110.9	A170 E171 W203 P205	A170-I173 PolarHBondContact O-N 3.24Å; A170-I173 VanDerWaalsContact O-N 3.08Å; E171-I173 PolarHBondContact O-N 3.4Å; I173-W203 HydrophobicContact CG2-CB 3.99Å; I173-W203 WeakPolarHBondContact O-CB 3.46Å; I173-P205 HydrophobicContact CD1-CB 4.02Å; I173-P205 HydrophobicContact CD1-CG 4.46Å; I173-P205 HydrophobicContact CG1-CB 4.21Å
174	H	78.9	Confident	75.8	Confident	37 Å²	37	50.9 Å²	50.9	17%	0.171	26%	0.26	C	S	.	.	S	Bend	trans	-117.5	137.6	-167.4	-66.8	121.2	0	0	0	113.3	D169 A170 L176 W203	D169-H174 HydrophobicContact CB-CB 3.89Å; D169-H174 IonicContact OD1-CD2 2.76Å; D169-H174 IonicContact OD1-CE1 3.75Å; D169-H174 IonicContact OD1-CG 3.52Å; D169-H174 VanDerWaalsContact OD1-CG 3.31Å; D169-H174 IonicContact OD1-ND1 2.64Å; D169-H174 PolarHBondContact OD1-ND1 2.88Å; D169-H174 VanDerWaalsContact OD1-ND1 3.11Å; A170-H174 PolarHBondContact O-N 2.75Å; H174-L176 PolarHBondContact O-N 3.38Å; H174-W203 AromaticContact CD2-CD1 3.45Å; H174-W203 VanDerWaalsContact CD2-CD1 3.45Å; H174-W203 AromaticContact CD2-CG 3.74Å
175	P	81.5	Confident	75.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.264	C	S	.	.			trans	-61.9	124.2	167.3	-22.3	33.8	0	0	0	111	L111 L114 R116 S177 W203	L111-P175 HydrophobicContact CB-CG 4.42Å; L111-P175 HydrophobicContact CD2-CG 4.11Å; L111-P175 WeakPolarHBondContact O-CB 3.49Å; L114-P175 HydrophobicContact CB-CG 4.26Å; L114-P175 WeakPolarHBondContact O-CB 3.46Å; R116-P175 HydrophobicContact CB-CB 4.39Å; R116-P175 WeakPolarHBondContact CB-O 3.44Å; P175-S177 PolarHBondContact O-N 3.25Å; P175-W203 HydrophobicContact CG-CD2 4.46Å; P175-W203 HydrophobicContact CG-CH2 3.96Å; P175-W203 HydrophobicContact CG-CZ2 3.65Å; P175-W203 HydrophobicContact CG-CZ3 4.45Å
176	L	80.1	Confident	75.6	Confident	37 Å²	37	47.4 Å²	47.4	19%	0.194	25%	0.245	C	C	.	.			trans	-79.8	-1.3	-176.8	-56	169.9	0	0	0	114.3	V132 E171 H174	V132-L176 WeakPolarHBondContact CB-O 3.43Å; V132-L176 VanDerWaalsContact CG2-O 3.31Å; V132-L176 WeakPolarHBondContact CG2-O 3.29Å; V132-L176 PolarHBondContact N-O 3.35Å; E171-L176 HydrophobicContact CB-CD1 4Å; E171-L176 HydrophobicContact CB-CD2 4.39Å; E171-L176 HydrophobicContact CB-CG 4.46Å; E171-L176 HydrophobicContact CG-CD1 3.45Å; E171-L176 VanDerWaalsContact CG-CD1 3.45Å; E171-L176 HydrophobicContact CG-CD2 4.1Å; E171-L176 HydrophobicContact CG-CG 4.24Å; E171-L176 WeakPolarHBondContact OE1-CD1 3.33Å; H174-L176 PolarHBondContact O-N 3.38Å
177	S	84.1	Confident	75.3	Confident	19 Å²	19	48 Å²	48	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.8	-174	-40.9	0	0	0	0	112.4	R116 V129 H130 D131 P175	R116-S177 PolarHBondContact N-O 3.49Å; V129-S177 VanDerWaalsContact CG1-CB 3.4Å; H130-S177 CarbonylContact O-C 3.59Å; H130-S177 VanDerWaalsContact O-CA 3.27Å; H130-S177 WeakPolarHBondContact O-CA 3.48Å; H130-S177 WeakPolarHBondContact O-CB 3.35Å; D131-S177 WeakPolarHBondContact OD1-CB 3.33Å; D131-S177 PolarHBondContact OD1-OG 2.31Å; P175-S177 PolarHBondContact O-N 3.25Å
178	F	83.9	Confident	74.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.4	177.6	65.4	-78.3	0	0	0	112.2	I117 H130 V132 W154 L158 C182 W183	I117-F178 HydrophobicContact CD1-CB 3.64Å; I117-F178 HydrophobicContact CD1-CD2 3.75Å; I117-F178 HydrophobicContact CD1-CG 3.75Å; I117-F178 HydrophobicContact CG1-CB 4.13Å; H130-F178 HydrophobicContact CB-CD1 4.21Å; H130-F178 HydrophobicContact CB-CD2 4.42Å; H130-F178 HydrophobicContact CB-CE1 3.77Å; H130-F178 HydrophobicContact CB-CE2 4.02Å; H130-F178 HydrophobicContact CB-CZ 3.67Å; H130-F178 PolarHBondContact N-O 3.46Å; H130-F178 WeakPolarHBondContact O-CD1 3.41Å; H130-F178 PolarHBondContact O-N 2.31Å; V132-F178 HydrophobicContact CG2-CD1 3.84Å; W154-F178 HydrophobicContact CD2-CE1 4.4Å; W154-F178 AromaticContact CD2-CZ 3.8Å; W154-F178 HydrophobicContact CD2-CZ 3.8Å; W154-F178 HydrophobicContact CE3-CE2 4.46Å; W154-F178 AromaticContact CE3-CZ 3.69Å; W154-F178 HydrophobicContact CE3-CZ 3.69Å; W154-F178 HydrophobicContact CG-CE1 4.45Å; W154-F178 HydrophobicContact CG-CZ 4.31Å; W154-F178 HydrophobicContact CZ3-CE2 4.47Å; W154-F178 HydrophobicContact CZ3-CZ 4.07Å; L158-F178 HydrophobicContact CD1-CD1 4.44Å; L158-F178 HydrophobicContact CD1-CE1 4.26Å; F178-C182 HydrophobicContact CD2-CB 4.14Å; F178-W183 HydrophobicContact CD2-CB 4.29Å; F178-W183 HydrophobicContact CE2-CB 3.76Å; F178-W183 HydrophobicContact CE2-CG 4.39Å
179	C	84.4	Confident	74.3	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.027	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.1	-173.8	74.2	0	0	0	0	112.8	C115 L122 V125 R181 C182 W183	C115-C179 HydrophobicContact CB-CB 4.32Å; C115-C179 PolarHBondContact SG-N 3.36Å; L122-C179 HydrophobicContact CD2-CB 3.79Å; V125-C179 HydrophobicContact CB-CB 4.18Å; V125-C179 HydrophobicContact CG1-CB 4Å; V125-C179 HydrophobicContact CG2-CB 4.25Å; C179-R181 PolarHBondContact O-N 3.35Å; C179-C182 PolarHBondContact O-N 2.84Å; C179-W183 PolarHBondContact O-N 3.18Å; C179-W183 VanDerWaalsContact O-N 3.11Å
180	H	80.2	Confident	72.8	Confident	47 Å²	47	48 Å²	48	22%	0.218	26%	0.261	C	S	.	.	H	α-helix	trans	-49.9	-25.4	175.5	-177.2	-119.6	0	0	0	115.3	P128 H130 W183 L184	P128-H180 HydrophobicContact CG-CB 4.24Å; P128-H180 WeakPolarHBondContact O-CB 3.23Å; P128-H180 PolarHBondContact O-N 2.94Å; H130-H180 AromaticContact NE2-CD2 3.67Å; H180-W183 AromaticContact CD2-CE3 3.51Å; H180-W183 AromaticContact CD2-CZ3 3.99Å; H180-W183 AromaticContact NE2-CE3 3.7Å; H180-W183 AromaticContact NE2-CZ3 3.71Å; H180-L184 WeakPolarHBondContact O-CB 3.47Å; H180-L184 WeakPolarHBondContact O-CG 3.32Å; H180-L184 PolarHBondContact O-N 3.44Å
181	R	77.7	Confident	71.6	Confident	185 Å²	185	49.1 Å²	49.1	70%	0.698	28%	0.278	S	S	*	.	H	α-helix	trans	-69.9	-37.2	173.3	-76.1	-173.8	175.5	-167.9	-1.6	113	V125 C179 A185	V125-R181 HydrophobicContact CG1-CB 4.35Å; V125-R181 HydrophobicContact CG1-CG 3.82Å; C179-R181 PolarHBondContact O-N 3.35Å; R181-A185 PolarHBondContact O-N 3.27Å
182	C	77.2	Confident	70.6	Confident	14 Å²	14	51.8 Å²	51.8	10%	0.095	30%	0.3	C	S	.	.	H	α-helix	trans	-75.2	-36.6	174.9	-63	0	0	0	0	110.7	I117 F178 C179 A185 A186	I117-C182 HydrophobicContact CB-CB 4.3Å; I117-C182 HydrophobicContact CD1-CB 3.77Å; I117-C182 HydrophobicContact CG2-CB 4.33Å; F178-C182 HydrophobicContact CD2-CB 4.14Å; C179-C182 PolarHBondContact O-N 2.84Å; C182-A185 WeakPolarHBondContact O-CB 3.46Å; C182-A185 PolarHBondContact O-N 2.69Å; C182-A185 VanDerWaalsContact O-N 3.07Å; C182-A186 PolarHBondContact O-N 2.91Å
183	W	81.1	Confident	69.3	Low	43 Å²	43	54.3 Å²	54.3	16%	0.163	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-47.2	169.3	-178.9	91.6	0	0	0	112.4	H130 W154 F178 C179 H180 A185 A186 I187	H130-W183 AromaticContact CD2-CD1 3.86Å; H130-W183 AromaticContact CD2-CG 3.77Å; H130-W183 AromaticContact CE1-CD1 3.48Å; H130-W183 VanDerWaalsContact CE1-CD1 3.48Å; H130-W183 AromaticContact CE1-CD2 3.79Å; H130-W183 AromaticContact CE1-CE2 3.82Å; H130-W183 AromaticContact CE1-CG 3.63Å; H130-W183 AromaticContact CE1-NE1 3.58Å; H130-W183 AromaticContact CG-CD1 3.65Å; H130-W183 AromaticContact ND1-CD1 3.41Å; H130-W183 AromaticContact ND1-CG 3.96Å; H130-W183 AromaticContact ND1-NE1 3.65Å; H130-W183 AromaticContact NE2-CD1 3.77Å; H130-W183 AromaticContact NE2-CD2 3.84Å; H130-W183 AromaticContact NE2-CG 3.51Å; W154-W183 AromaticContact CH2-CD1 3.18Å; W154-W183 HydrophobicContact CH2-CG 4.23Å; W154-W183 AromaticContact CH2-NE1 3.2Å; W154-W183 AromaticContact CZ2-CD1 3.35Å; W154-W183 AromaticContact CZ2-NE1 3.15Å; F178-W183 HydrophobicContact CD2-CB 4.29Å; F178-W183 HydrophobicContact CE2-CB 3.76Å; F178-W183 HydrophobicContact CE2-CG 4.39Å; C179-W183 PolarHBondContact O-N 3.18Å; C179-W183 VanDerWaalsContact O-N 3.11Å; H180-W183 AromaticContact CD2-CE3 3.51Å; H180-W183 AromaticContact CD2-CZ3 3.99Å; H180-W183 AromaticContact NE2-CE3 3.7Å; H180-W183 AromaticContact NE2-CZ3 3.71Å; W183-A185 PolarHBondContact O-N 2.81Å; W183-A186 WeakPolarHBondContact O-CB 3.32Å; W183-A186 PolarHBondContact O-N 3.34Å; W183-I187 HydrophobicContact CD2-CG1 4.45Å; W183-I187 HydrophobicContact CZ2-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.36Å
184	L	74.1	Confident	68	Low	49 Å²	49	56.7 Å²	56.7	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-23.8	173.8	-79	177.2	0	0	0	113.8	H180 R188	H180-L184 WeakPolarHBondContact O-CB 3.47Å; H180-L184 WeakPolarHBondContact O-CG 3.32Å; H180-L184 PolarHBondContact O-N 3.44Å; L184-R188 WeakPolarHBondContact O-CB 3.37Å; L184-R188 WeakPolarHBondContact O-CD 3.23Å; L184-R188 WeakPolarHBondContact O-CG 3.48Å
185	A	70.8	Confident	66.2	Low	22 Å²	22	60.8 Å²	60.8	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-80.4	-43.6	173	0	0	0	0	0	111.2	F162 R181 C182 W183 I187 R188 G189 F195	F162-A185 HydrophobicContact CE1-CB 4.31Å; F162-A185 HydrophobicContact CZ-CB 4.06Å; R181-A185 PolarHBondContact O-N 3.27Å; C182-A185 WeakPolarHBondContact O-CB 3.46Å; C182-A185 PolarHBondContact O-N 2.69Å; C182-A185 VanDerWaalsContact O-N 3.07Å; W183-A185 PolarHBondContact O-N 2.81Å; A185-I187 PolarHBondContact O-N 2.78Å; A185-R188 PolarHBondContact O-N 3.45Å; A185-G189 PolarHBondContact O-N 3.01Å; A185-F195 HydrophobicContact CB-CE2 4.3Å; A185-F195 HydrophobicContact CB-CZ 4.15Å
186	A	72	Confident	64.5	Low	3 Å²	3	66.4 Å²	66.4	3%	0.025	39%	0.389	C	S	.	.	H	α-helix	trans	-55.1	-51.5	176.3	0	0	0	0	0	112.1	W154 I157 F162 C182 W183 R188 G189	W154-A186 HydrophobicContact CZ3-CB 4.13Å; I157-A186 HydrophobicContact CG2-CB 4.03Å; F162-A186 HydrophobicContact CE2-CB 3.97Å; F162-A186 HydrophobicContact CZ-CB 4.31Å; C182-A186 PolarHBondContact O-N 2.91Å; W183-A186 WeakPolarHBondContact O-CB 3.32Å; W183-A186 PolarHBondContact O-N 3.34Å; A186-R188 PolarHBondContact O-N 3.36Å; A186-G189 PolarHBondContact O-N 3.39Å
187	I	70.3	Confident	63	Low	15 Å²	15	76.2 Å²	76.2	8%	0.077	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.9	-176.7	-63.3	-61.9	0	0	0	113.3	V143 L144 M147 W154 W183 A185	V143-I187 HydrophobicContact CB-CG2 4.27Å; V143-I187 HydrophobicContact CG1-CG2 3.66Å; L144-I187 HydrophobicContact CD1-CD1 3.9Å; L144-I187 HydrophobicContact CD2-CD1 4.07Å; L144-I187 HydrophobicContact CG-CD1 3.96Å; M147-I187 WeakPolarHBondContact CE-O 3.37Å; W154-I187 HydrophobicContact CH2-CD1 3.71Å; W154-I187 HydrophobicContact CH2-CG1 3.84Å; W154-I187 HydrophobicContact CZ3-CD1 4.22Å; W154-I187 HydrophobicContact CZ3-CG1 4.44Å; W183-I187 HydrophobicContact CD2-CG1 4.45Å; W183-I187 HydrophobicContact CZ2-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.36Å; A185-I187 PolarHBondContact O-N 2.78Å
188	R	63.9	Low	61.4	Low	178 Å²	178	78.1 Å²	78.1	67%	0.672	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-1.7	177.3	-70.4	179.4	-170.6	178.6	-0.2	114.5	L184 A185 A186 G190	L184-R188 WeakPolarHBondContact O-CB 3.37Å; L184-R188 WeakPolarHBondContact O-CD 3.23Å; L184-R188 WeakPolarHBondContact O-CG 3.48Å; A185-R188 PolarHBondContact O-N 3.45Å; A186-R188 PolarHBondContact O-N 3.36Å; R188-G190 PolarHBondContact O-N 2.99Å
189	G	57.1	Low	60	Low	43 Å²	43	87.3 Å²	87.3	44%	0.443	48%	0.475	S	S	.	.			trans	-73	59	-174.7	0	0	0	0	0	115.2	A185 A186	A185-G189 PolarHBondContact O-N 3.01Å; A186-G189 PolarHBondContact O-N 3.39Å
190	G	44.7	Very low	58.9	Low	63 Å²	63	89.7 Å²	89.7	65%	0.649	49%	0.489	S	S	*	.			trans	-89.9	115.9	173	0	0	0	0	0	112	R188	R188-G190 PolarHBondContact O-N 2.99Å
191	G	44.3	Very low	58.1	Low	70 Å²	70	89.3 Å²	89.3	72%	0.722	49%	0.491	S	S	*	.	S	Bend	trans	91.2	147.5	-179.8	0	0	0	0	0	113.8	C193	G191-C193 PolarHBondContact O-N 3.36Å; G191-C193 VanDerWaalsContact O-N 3.11Å
192	V	45.8	Very low	57.3	Low	151 Å²	151	88 Å²	88	92%	0.915	49%	0.492	S	S	*	.	S	Bend	trans	-79.8	94.2	-170.9	-177.5	0	0	0	0	111.2
193	C	34.2	Very low	56.9	Low	115 Å²	115	89 Å²	89	78%	0.777	49%	0.494	S	S	*	.			trans	-150.8	89.6	169.3	-98.8	0	0	0	0	114.2	G191	G191-C193 PolarHBondContact O-N 3.36Å; G191-C193 VanDerWaalsContact O-N 3.11Å
194	S	42.6	Very low	55.8	Low	95 Å²	95	93.5 Å²	93.5	66%	0.664	52%	0.515	S	S	*	.			trans	44.5	82.7	134.6	-53.9	0	0	0	0	120.6	T196	S194-T196 PolarHBondContact O-N 3.42Å; S194-T196 VanDerWaalsContact O-N 3.08Å
195	F	39.8	Very low	55	Low	123 Å²	123	95.3 Å²	95.3	54%	0.539	53%	0.53	S	S	.	.			trans	-79.4	51.5	154.1	-85.5	-65.9	0	0	0	112.4	A185 R197	A185-F195 HydrophobicContact CB-CE2 4.3Å; A185-F195 HydrophobicContact CB-CZ 4.15Å; F195-R197 PolarHBondContact O-N 3.35Å
196	T	46.2	Very low	54.2	Low	118 Å²	118	98 Å²	98	72%	0.724	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	47.4	-176.7	44.6	0	0	0	0	114.1	S194	S194-T196 PolarHBondContact O-N 3.42Å; S194-T196 VanDerWaalsContact O-N 3.08Å
197	R	47.8	Very low	53.4	Low	243 Å²	243	101.1 Å²	101.1	92%	0.917	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.4	0.9	167.7	-110.2	151.9	-159.3	-152.6	3.4	116.9	F195 K199	F195-R197 PolarHBondContact O-N 3.35Å; R197-K199 PolarHBondContact O-N 2.99Å
198	T	51.4	Low	52.5	Low	60 Å²	60	105.4 Å²	105.4	37%	0.368	60%	0.596	S	S	.	*			trans	-73.5	94.6	171.2	-51.2	0	0	0	0	109.2	V200	T198-V200 PolarHBondContact O-N 3.48Å
199	K	54.6	Low	51.9	Low	192 Å²	192	104.2 Å²	104.2	84%	0.835	60%	0.597	S	S	*	*			trans	-66.7	104.8	171.3	-77.1	-165.6	173.6	-168.4	0	109.4	R197	R197-K199 PolarHBondContact O-N 2.99Å
200	V	60.3	Low	51.9	Low	55 Å²	55	103.4 Å²	103.4	33%	0.333	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-69	127.5	165.4	-175.6	0	0	0	0	107.4	V164 T198	V164-V200 HydrophobicContact CG2-CG1 4.39Å; V164-V200 HydrophobicContact CG2-CG2 3.74Å; T198-V200 PolarHBondContact O-N 3.48Å
201	P	63.9	Low	52.4	Low	39 Å²	39	110.7 Å²	110.7	25%	0.253	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-70.5	136.2	174.6	26.7	-32.2	0	0	0	111.2	W203	P201-W203 HydrophobicContact CB-CZ2 4.1Å; P201-W203 HydrophobicContact CG-CH2 4.33Å; P201-W203 HydrophobicContact CG-CZ2 3.43Å; P201-W203 VanDerWaalsContact CG-CZ2 3.43Å; P201-W203 VanDerWaalsContact O-CD1 3.29Å; P201-W203 PolarHBondContact O-N 3.19Å; P201-W203 PolarHBondContact O-NE1 3.41Å
202	E	61.1	Low	52.9	Low	156 Å²	156	112.2 Å²	112.2	73%	0.729	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-72	121.2	165.2	-71.8	177.7	-161.3	0	0	109.5	K204	E202-K204 WeakPolarHBondContact OE2-CE 3.38Å; E202-K204 IonicContact OE2-NZ 3.35Å; E202-K204 PolarHBondContact OE2-NZ 3.15Å
203	W	68.3	Low	53.3	Low	35 Å²	35	107.8 Å²	107.8	13%	0.133	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-96	142.5	171.4	-53.5	93.3	0	0	0	109.4	L111 L114 I173 H174 P175 P201 L212	L111-W203 HydrophobicContact CD2-CD2 4.43Å; L111-W203 HydrophobicContact CD2-CE3 3.57Å; L111-W203 HydrophobicContact CD2-CH2 4.36Å; L111-W203 HydrophobicContact CD2-CZ3 3.54Å; L114-W203 HydrophobicContact CB-CH2 4.37Å; L114-W203 HydrophobicContact CD1-CH2 3.57Å; L114-W203 HydrophobicContact CD1-CZ3 4Å; I173-W203 HydrophobicContact CG2-CB 3.99Å; I173-W203 WeakPolarHBondContact O-CB 3.46Å; H174-W203 AromaticContact CD2-CD1 3.45Å; H174-W203 VanDerWaalsContact CD2-CD1 3.45Å; H174-W203 AromaticContact CD2-CG 3.74Å; P175-W203 HydrophobicContact CG-CD2 4.46Å; P175-W203 HydrophobicContact CG-CH2 3.96Å; P175-W203 HydrophobicContact CG-CZ2 3.65Å; P175-W203 HydrophobicContact CG-CZ3 4.45Å; P201-W203 HydrophobicContact CB-CZ2 4.1Å; P201-W203 HydrophobicContact CG-CH2 4.33Å; P201-W203 HydrophobicContact CG-CZ2 3.43Å; P201-W203 VanDerWaalsContact CG-CZ2 3.43Å; P201-W203 VanDerWaalsContact O-CD1 3.29Å; P201-W203 PolarHBondContact O-N 3.19Å; P201-W203 PolarHBondContact O-NE1 3.41Å; W203-L212 HydrophobicContact CZ3-CD1 3.91Å
204	K	58.3	Low	53.9	Low	139 Å²	139	106 Å²	106	60%	0.604	55%	0.549	S	S	*	.			trans	-137.7	135.4	-175.8	-64.5	-175.4	-179	174	0	109.7	E202	E202-K204 WeakPolarHBondContact OE2-CE 3.38Å; E202-K204 IonicContact OE2-NZ 3.35Å; E202-K204 PolarHBondContact OE2-NZ 3.15Å
205	P	58.3	Low	54	Low	87 Å²	87	106.6 Å²	106.6	57%	0.565	55%	0.551	S	S	*	*			trans	-65.6	165.1	-174.8	26.2	-34.8	0	0	0	113	I173 A207	I173-P205 HydrophobicContact CD1-CB 4.02Å; I173-P205 HydrophobicContact CD1-CG 4.46Å; I173-P205 HydrophobicContact CG1-CB 4.21Å; P205-A207 PolarHBondContact O-N 2.89Å
206	H	54.2	Low	53.8	Low	77 Å²	77	110.6 Å²	110.6	36%	0.356	57%	0.568	S	S	.	*	S	Bend	trans	-63.3	99.7	-174.3	-86.6	-104.6	0	0	0	114.1	E103 H107	E103-H206 PolarHBondContact O-CE1 2.95Å; H107-H206 VanDerWaalsContact CB-CE1 3.47Å; H107-H206 WeakPolarHBondContact CB-CE1 3.3Å; H107-H206 WeakPolarHBondContact CB-NE2 3.27Å; H107-H206 AromaticContact CD2-CD2 3.91Å; H107-H206 AromaticContact CD2-NE2 3.16Å; H107-H206 PolarHBondContact CD2-NE2 2.76Å; H107-H206 AromaticContact CG-CE1 3.78Å; H107-H206 AromaticContact CG-NE2 3.19Å
207	A	54.6	Low	53.4	Low	70 Å²	70	114.9 Å²	114.9	58%	0.579	58%	0.577	S	S	*	*	S	Bend	trans	-120.1	171.9	150	0	0	0	0	0	109.3	P205 H209 C210	P205-A207 PolarHBondContact O-N 2.89Å; A207-H209 PolarHBondContact O-N 2.89Å; A207-C210 PolarHBondContact O-N 3.41Å
208	S	50.7	Low	52.7	Low	104 Å²	104	108.6 Å²	108.6	73%	0.727	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	15.1	-173.3	54.7	0	0	0	0	115.9
209	H	51.8	Low	51.7	Low	153 Å²	153	111.4 Å²	111.4	71%	0.708	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	20.8	-176.2	-56.8	-18	0	0	0	112.7	A207 Y211	A207-H209 PolarHBondContact O-N 2.89Å; H209-Y211 WeakPolarHBondContact O-CD2 3.27Å; H209-Y211 PolarHBondContact O-N 3.11Å; H209-Y211 VanDerWaalsContact O-N 3.08Å
210	C	57.9	Low	50.8	Low	27 Å²	27	112.4 Å²	112.4	18%	0.182	60%	0.597	C	S	.	*			trans	-66.5	104.7	171.2	-177.7	0	0	0	0	111.3	A207 L212 C213 S214	A207-C210 PolarHBondContact O-N 3.41Å; C210-L212 PolarHBondContact O-N 3.28Å; C210-L212 VanDerWaalsContact O-N 3.09Å; C210-C213 HydrophobicContact CB-CB 4.38Å; C210-C213 PolarHBondContact O-N 2.88Å; C210-C213 VanDerWaalsContact O-N 3.13Å; C210-S214 PolarHBondContact O-N 3.18Å
211	Y	54.2	Low	49.5	Very low	216 Å²	216	116.8 Å²	116.8	85%	0.847	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-19.2	-177.9	-78	-87.8	0	0	0	114.8	H209	H209-Y211 WeakPolarHBondContact O-CD2 3.27Å; H209-Y211 PolarHBondContact O-N 3.11Å; H209-Y211 VanDerWaalsContact O-N 3.08Å
212	L	54.2	Low	47.9	Very low	102 Å²	102	124.5 Å²	124.5	53%	0.534	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-26.5	178.5	-62.6	178	0	0	0	113.2	W203 C210	W203-L212 HydrophobicContact CZ3-CD1 3.91Å; C210-L212 PolarHBondContact O-N 3.28Å; C210-L212 VanDerWaalsContact O-N 3.09Å
213	C	54.4	Low	46.3	Very low	57 Å²	57	123.4 Å²	123.4	39%	0.385	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	-29.9	-179.2	-60.8	0	0	0	0	112.9	H107 C210 P215	H107-C213 PolarHBondContact ND1-SG 2.96Å; C210-C213 HydrophobicContact CB-CB 4.38Å; C210-C213 PolarHBondContact O-N 2.88Å; C210-C213 VanDerWaalsContact O-N 3.13Å; C213-P215 WeakPolarHBondContact O-CD 3.32Å
214	S	48	Very low	44.3	Very low	79 Å²	79	125.6 Å²	125.6	55%	0.552	68%	0.675	S	S	*	*			trans	-128.9	77.5	-170	-62.1	0	0	0	0	113.4	C210 K216	C210-S214 PolarHBondContact O-N 3.18Å; S214-K216 PolarHBondContact O-N 3.23Å; S214-K216 VanDerWaalsContact O-N 3.12Å
215	P	44.1	Very low	42.9	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	69%	0.693	S	S	*	*			trans	-71	105.1	177	28.9	-34.2	0	0	0	111.6	C213 K217	C213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-K217 PolarHBondContact O-N 2.98Å
216	K	34.7	Very low	41.6	Very low	207 Å²	207	136.7 Å²	136.7	90%	0.9	71%	0.707	S	S	*	*			trans	-55.3	128.7	175	-73	-175.4	176.7	179.7	0	111.3	S214	S214-K216 PolarHBondContact O-N 3.23Å; S214-K216 VanDerWaalsContact O-N 3.12Å
217	K	39.8	Very low	40.4	Very low	208 Å²	208	145.1 Å²	145.1	90%	0.904	74%	0.736	S	S	*	*			trans	-121	123.8	165.7	-80.3	-171.7	176.8	178.8	0	111	P215	P215-K217 PolarHBondContact O-N 2.98Å
218	S	31.4	Very low	39.1	Very low	110 Å²	110	153.1 Å²	153.1	77%	0.769	75%	0.751	S	S	*	*			trans	-162.6	139.9	171.8	52	0	0	0	0	108.3
219	S	30.7	Very low	37.9	Very low	119 Å²	119	157.2 Å²	157.2	83%	0.832	76%	0.756	S	S	*	*			cis	-163.8	156	-17.8	40.8	0	0	0	0	107.5
220	F	37.1	Very low	36.6	Very low	214 Å²	214	156.3 Å²	156.3	94%	0.939	76%	0.761	S	S	*	*			trans	-96.9	125.1	-172.2	-118.9	-86.6	0	0	0	112.9
221	Q	31.2	Very low	35.3	Very low	147 Å²	147	161.1 Å²	161.1	69%	0.687	79%	0.789	S	S	*	*			trans	-155	151	159.9	-72.9	-158.9	12.7	0	0	107.9
222	R	31.9	Very low	34.6	Very low	201 Å²	201	155.7 Å²	155.7	76%	0.758	78%	0.78	S	S	*	*			cis	-165	153.1	-8.6	-108.4	174.3	171.2	152.5	-18.5	106.5
223	T	26.7	Very low	33.1	Very low	133 Å²	133	160.2 Å²	160.2	82%	0.816	80%	0.796	S	S	*	*			cis	-169.7	120.8	-28.4	16.6	0	0	0	0	107.2
224	G	26.8	Very low	31.7	Very low	81 Å²	81	162.7 Å²	162.7	84%	0.835	81%	0.809	S	S	*	*			trans	-141.3	78.9	-169.2	0	0	0	0	0	118.1
225	R	29.3	Very low	30.8	Very low	258 Å²	258	165.8 Å²	165.8	97%	0.974	82%	0.815	S	S	*	*			trans	43.7	139.4	157.7	-70.6	-175.1	170.9	-176.5	-2.8	122.5
226	K	31.1	Very low	30	Very low	200 Å²	200	170.1 Å²	170.1	87%	0.87	82%	0.817	S	S	*	*			trans	-86.3	154.5	178.5	-50.7	165.2	179.9	174.3	0	112.4
227	R	27.7	Very low	29.7	Very low	254 Å²	254	167.6 Å²	167.6	96%	0.958	81%	0.812	S	S	*	*				-172.1	161.6	113.9	-104.4	173.3	176.4	179.8	-1.3	113.2
228	R	28.6	Very low	29.2	Very low	238 Å²	238	161.4 Å²	161.4	90%	0.898	80%	0.8	S	S	*	*			trans	-95.1	147	175.7	-70.7	172.4	164.3	174.3	-7.5	110.5
229	K	25.5	Very low	29	Very low	191 Å²	191	164.9 Å²	164.9	83%	0.83	80%	0.801	S	S	*	*				164.2	135.3	113	-93.6	-168.4	175.3	-173.9	0	113.2
230	V	23.4	Very low	28.9	Very low	134 Å²	134	170.8 Å²	170.8	81%	0.812	81%	0.805	S	S	*	*			trans	61.1	143	131	-174.4	0	0	0	0	120.9
231	V	31.2	Very low	28.3	Very low	128 Å²	128	164.3 Å²	164.3	78%	0.776	79%	0.791	S	S	*	*			trans	-80.4	164.3	177.3	161.4	0	0	0	0	110.9
232	P	38.3	Very low	28.2	Very low	102 Å²	102	165 Å²	165	66%	0.662	79%	0.792	S	S	*	*			cis	-130.6	-170.8	7.1	32.1	-9.4	0	0	0	115.6
233	K	23.7	Very low	27.8	Very low	197 Å²	197	166.6 Å²	166.6	86%	0.857	80%	0.798	S	S	*	*			trans	57	145.5	141.9	-87.9	-177.8	179.7	179.4	0	119.7
234	V	25	Very low	27.7	Very low	109 Å²	109	164.6 Å²	164.6	66%	0.661	78%	0.783	S	S	*	*			cis	-162.4	162.1	-3.9	80.3	0	0	0	0	110.9
235	Q	29.7	Very low	27.6	Very low	144 Å²	144	169.8 Å²	169.8	67%	0.673	79%	0.785	S	S	*	*			trans	68.9	155.9	164.5	-78.2	175.2	50.3	0	0	117.3
236	R	25.6	Very low	27.3	Very low	198 Å²	198	160.9 Å²	160.9	75%	0.747	77%	0.773	S	S	*	*			cis	-147.6	141.8	11.4	-135.9	167.8	-149.2	-147.8	5	112.1
237	L	30.1	Very low	27	Very low	153 Å²	153	158.7 Å²	158.7	80%	0.801	77%	0.771	S	S	*	*			trans	55.9	142.3	154	-67.3	159.9	0	0	0	120
238	A	28.7	Very low	26.8	Very low	78 Å²	78	152.3 Å²	152.3	65%	0.645	76%	0.76	S	S	*	*			cis	-146.3	119.8	-11.7	0	0	0	0	0	108.9
239	K	27.3	Very low	26.6	Very low	184 Å²	184	148.7 Å²	148.7	80%	0.8	76%	0.757	S	S	*	*				62.9	112.5	106.6	-69.5	-173.9	174.7	-176.3	0	114.6
240	R	27.6	Very low	26.5	Very low	242 Å²	242	143.4 Å²	143.4	91%	0.913	75%	0.749	S	S	*	*				76.9	142.5	65	-79.4	-171.7	178.6	-168.8	0.1	112.8
241	A	25.3	Very low	26.6	Very low	78 Å²	78	144.4 Å²	144.4	65%	0.645	76%	0.755	S	S	*	*			cis	-157.2	160.1	-9.6	0	0	0	0	0	109.2
242	K	28.9	Very low	26.3	Very low	162 Å²	162	141.4 Å²	141.4	70%	0.704	75%	0.75	S	S	*	*				15.1	141.7	99	-145.7	-155.3	-171	-127.9	0	116.8	D244	K242-D244 IonicContact NZ-OD2 2.68Å; K242-D244 PolarHBondContact NZ-OD2 2.82Å
243	W	24	Very low	25.7	Very low	234 Å²	234	143.9 Å²	143.9	89%	0.886	75%	0.753	S	S	*	*				-172.6	-176.5	122.3	-110.2	57	0	0	0	112.1
244	D	23.6	Very low	25.9	Very low	91 Å²	91	141.1 Å²	141.1	49%	0.487	74%	0.741	S	S	.	*			trans	-124.4	151.3	-167.1	-81.6	-80.6	0	0	0	111.9	K242	K242-D244 IonicContact NZ-OD2 2.68Å; K242-D244 PolarHBondContact NZ-OD2 2.82Å
245	H	25.2	Very low	25.9	Very low	191 Å²	191	146.5 Å²	146.5	88%	0.884	75%	0.749	S	S	*	*			trans	54.1	138.9	153	-67.2	59	0	0	0	121
246	G	23.6	Very low	25.6	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	75%	0.752	S	S	*	*			trans	141.9	80.5	158.5	0	0	0	0	0	119.1
247	D	23.2	Very low	25.6	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	76%	0.758	S	S	*	*			trans	45.6	153.5	139.9	-57.5	-31.1	0	0	0	126.9
248	T	23.5	Very low	25.6	Very low	121 Å²	121	143.9 Å²	143.9	74%	0.742	75%	0.753	S	S	*	*			trans	83.4	108.2	150.2	39.6	0	0	0	0	124
249	I	24.2	Very low	25.9	Very low	161 Å²	161	145.7 Å²	145.7	83%	0.826	76%	0.758	S	S	*	*			trans	83.5	145.2	134	-60	166.6	0	0	0	120.5
250	A	24.2	Very low	25.8	Very low	81 Å²	81	144.5 Å²	144.5	67%	0.669	75%	0.753	S	S	*	*			trans	97.6	98.4	159.8	0	0	0	0	0	121.5
251	V	25.3	Very low	25.8	Very low	154 Å²	154	136.2 Å²	136.2	93%	0.933	74%	0.743	S	S	*	*				52.5	133.9	121.2	-179.3	0	0	0	0	121.7
252	G	26.1	Very low	25.7	Very low	65 Å²	65	139.2 Å²	139.2	67%	0.67	75%	0.748	S	S	*	*			trans	104.2	98.1	152.9	0	0	0	0	0	114.5
253	E	25	Very low	25.5	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	75%	0.754	S	S	*	*				69.5	124.9	74.7	-76.4	-136.9	111.6	0	0	117.8
254	K	26.7	Very low	25.8	Very low	139 Å²	139	138.2 Å²	138.2	60%	0.604	75%	0.747	S	S	*	*			trans	69.7	125.7	144.1	-68.8	164.2	177.8	145.3	0	121
255	R	25.6	Very low	25.8	Very low	223 Å²	223	139.3 Å²	139.3	84%	0.842	76%	0.761	S	S	*	*			trans	56.8	109.7	137.2	-59.6	173	-177.8	168.6	-0.6	117.7
256	A	22.7	Very low	26.5	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	75%	0.754	S	S	*	*				84	110.7	63	0	0	0	0	0	116.9
257	L	26.1	Very low	26.6	Very low	167 Å²	167	138 Å²	138	87%	0.874	75%	0.754	S	S	*	*			trans	76.7	156.5	144.8	-82.2	165.7	0	0	0	122.8
258	R	30.6	Very low	26.8	Very low	184 Å²	184	136.8 Å²	136.8	69%	0.694	75%	0.753	S	S	*	*			trans	86.1	157.9	167.2	-54.5	-146.6	178.2	-135.8	-1.1	115.5	F260	R258-F260 HydrophobicContact CB-CD2 4.31Å; R258-F260 VanDerWaalsContact NH1-CE1 3.32Å
259	P	36	Very low	26.9	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	76%	0.763	S	S	*	*			cis	-96.2	151.2	15.6	2.3	21.5	0	0	0	115.6
260	F	23.9	Very low	27	Very low	158 Å²	158	140.2 Å²	140.2	69%	0.693	76%	0.762	S	S	*	*				64.7	140.4	73.3	-71.4	-76.5	0	0	0	114.9	R258	R258-F260 HydrophobicContact CB-CD2 4.31Å; R258-F260 VanDerWaalsContact NH1-CE1 3.32Å
261	G	27.2	Very low	27.1	Very low	68 Å²	68	148.5 Å²	148.5	70%	0.701	78%	0.777	S	S	*	*			cis	-157	160.3	-2.6	0	0	0	0	0	109.6
262	D	24.5	Very low	27.1	Very low	141 Å²	141	150.4 Å²	150.4	75%	0.754	77%	0.772	S	S	*	*			cis	86.1	110.1	47	-170.8	11.2	0	0	0	114.4
263	R	25.2	Very low	27.2	Very low	219 Å²	219	155.8 Å²	155.8	83%	0.826	78%	0.777	S	S	*	*			trans	-152.6	100.7	153.3	-93.7	-153	177.1	-155.8	-1.4	113.1
264	H	29.5	Very low	27.5	Very low	157 Å²	157	156 Å²	156	73%	0.727	78%	0.783	S	S	*	*			trans	83.4	145	148.4	-53.7	-60.2	0	0	0	120.9
265	S	23.6	Very low	28.1	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	78%	0.776	S	S	*	*			trans	-125.2	-169	-174.2	-133.8	0	0	0	0	107.5
266	P	40.3	Very low	28.9	Very low	111 Å²	111	146.3 Å²	146.3	72%	0.721	76%	0.764	S	S	*	*			cis	-144.7	-172.9	25.2	32.7	-6	0	0	0	117.8
267	V	25.4	Very low	30	Very low	122 Å²	122	149.9 Å²	149.9	74%	0.739	77%	0.765	S	S	*	*			trans	89.3	92.5	157.4	-165.9	0	0	0	0	119.8
268	V	27.7	Very low	31	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	75%	0.746	S	S	*	*			trans	53.1	118.3	131.6	-176	0	0	0	0	120.9
269	R	26	Very low	32	Very low	254 Å²	254	145.3 Å²	145.3	96%	0.958	74%	0.742	S	S	*	*				-153.2	158.3	125.7	-106.8	167.9	-153.4	-153.3	4.7	111.2
270	A	24.9	Very low	32.7	Very low	99 Å²	99	146.1 Å²	146.1	82%	0.818	74%	0.736	S	S	*	*			trans	-94.9	158.9	-159.8	0	0	0	0	0	115.8
271	W	26	Very low	34.2	Very low	255 Å²	255	144.6 Å²	144.6	97%	0.966	73%	0.725	S	S	*	*			trans	-57.6	141.4	167.9	-83.1	-9.7	0	0	0	113.3
272	K	26.5	Very low	35.5	Very low	195 Å²	195	142.2 Å²	142.2	85%	0.848	70%	0.698	S	S	*	*			trans	-164.2	150.8	143	-121.1	164.9	-174.4	172.3	0	114.1
273	K	28.1	Very low	37	Very low	177 Å²	177	140.1 Å²	140.1	77%	0.77	68%	0.682	S	S	*	*			trans	66.9	106.3	164	-61.4	-179.6	178.4	-176.3	0	118.3
274	N	30.6	Very low	38.6	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	67%	0.671	S	S	*	*			trans	-145	13	152.7	-119.5	3.7	0	0	0	113.9
275	G	39.4	Very low	39.8	Very low	43 Å²	43	130.4 Å²	130.4	44%	0.443	65%	0.651	S	S	.	*			trans	-78.3	-34.3	-172.1	0	0	0	0	0	115.8	Q277 R278	G275-Q277 VanDerWaalsContact C-N 3.31Å; G275-Q277 PolarHBondContact O-N 3.12Å; G275-R278 WeakPolarHBondContact O-CB 3.15Å; G275-R278 PolarHBondContact O-N 3.07Å
276	I	43.5	Very low	41.4	Very low	115 Å²	115	125.1 Å²	125.1	59%	0.59	61%	0.614	S	S	*	*	H	α-helix	trans	-64	-30.5	-162.2	-60.9	173.1	0	0	0	113.3
277	Q	44.8	Very low	42.2	Very low	163 Å²	163	127.1 Å²	127.1	76%	0.762	61%	0.613	S	S	*	*	H	α-helix	trans	-71.1	-27.7	175.5	-78.1	-172.9	-23.1	0	0	113.5	G275 W281	G275-Q277 VanDerWaalsContact C-N 3.31Å; G275-Q277 PolarHBondContact O-N 3.12Å; Q277-W281 WeakPolarHBondContact O-CB 3.11Å; Q277-W281 PolarHBondContact O-N 3.45Å
278	R	47.4	Very low	44	Very low	126 Å²	126	121.5 Å²	121.5	48%	0.475	58%	0.579	S	S	.	*	H	α-helix	trans	-73.7	-40	-173.2	-158.8	177.1	-173.1	-163.6	0.6	111.7	G275 W281 V282	G275-R278 WeakPolarHBondContact O-CB 3.15Å; G275-R278 PolarHBondContact O-N 3.07Å; R278-W281 PolarHBondContact O-N 2.95Å; R278-V282 WeakPolarHBondContact O-CG2 3.42Å; R278-V282 PolarHBondContact O-N 3.01Å
279	E	50.9	Low	45.4	Very low	130 Å²	130	122.7 Å²	122.7	61%	0.607	58%	0.576	S	S	*	*	H	α-helix	trans	-65.6	-43.1	-179.6	-67.5	167.7	-175.4	0	0	112.4	K283	E279-K283 WeakPolarHBondContact O-CG 3.43Å; E279-K283 PolarHBondContact O-N 3.34Å
280	Q	51.9	Low	46.8	Very low	133 Å²	133	115.1 Å²	115.1	62%	0.621	56%	0.555	S	S	*	*	H	α-helix	trans	-67.8	-35.3	176.7	-68.7	-177.8	-26.6	0	0	112.1	N284	Q280-N284 PolarHBondContact O-N 2.95Å; Q280-N284 PolarHBondContact O-ND2 2.65Å
281	W	54.1	Low	48.3	Very low	126 Å²	126	113.9 Å²	113.9	48%	0.477	53%	0.534	S	S	.	.	H	α-helix	trans	-71.5	-42.1	179.6	-170.2	77.8	0	0	0	113	Q277 R278 K283 N284 I285 V342 L343	Q277-W281 WeakPolarHBondContact O-CB 3.11Å; Q277-W281 PolarHBondContact O-N 3.45Å; R278-W281 PolarHBondContact O-N 2.95Å; W281-K283 VanDerWaalsContact C-N 3.33Å; W281-K283 PolarHBondContact O-N 3.11Å; W281-N284 PolarHBondContact O-N 3.49Å; W281-I285 HydrophobicContact CD2-CD1 3.58Å; W281-I285 HydrophobicContact CE3-CD1 3.37Å; W281-I285 HydrophobicContact CG-CD1 4.44Å; W281-I285 HydrophobicContact CH2-CD1 3.52Å; W281-I285 HydrophobicContact CZ2-CD1 3.7Å; W281-I285 HydrophobicContact CZ3-CD1 3.32Å; W281-I285 PolarHBondContact O-N 3Å; W281-V342 HydrophobicContact CH2-CG1 3.76Å; W281-V342 HydrophobicContact CZ3-CG1 4.25Å; W281-L343 HydrophobicContact CH2-CD2 4.36Å; W281-L343 HydrophobicContact CZ3-CD1 4.07Å; W281-L343 HydrophobicContact CZ3-CD2 3.92Å; W281-L343 HydrophobicContact CZ3-CG 4.11Å
282	V	55.8	Low	50.5	Low	19 Å²	19	102.3 Å²	102.3	12%	0.115	49%	0.491	C	S	.	.	H	α-helix	trans	-61.9	-39.9	178.2	169.4	0	0	0	0	111.8	R278 N284 I285 V314 F339 L343	R278-V282 WeakPolarHBondContact O-CG2 3.42Å; R278-V282 PolarHBondContact O-N 3.01Å; V282-N284 VanDerWaalsContact C-N 3.3Å; V282-N284 PolarHBondContact O-N 3.42Å; V282-I285 PolarHBondContact O-N 3.11Å; V282-V314 HydrophobicContact CG1-CG1 3.77Å; V282-F339 HydrophobicContact CG1-CD2 4.16Å; V282-F339 HydrophobicContact CG1-CE2 4.39Å; V282-F339 HydrophobicContact CG2-CD2 4.4Å; V282-F339 HydrophobicContact CG2-CE2 4.04Å; V282-L343 HydrophobicContact CG2-CD1 4.41Å
283	K	56.4	Low	52.5	Low	97 Å²	97	94.3 Å²	94.3	42%	0.422	46%	0.458	S	S	.	.	H	α-helix	trans	-64	-32.5	177	-72.9	173.9	176.5	178.5	0	113.2	E279 W281 T286 D316	E279-K283 WeakPolarHBondContact O-CG 3.43Å; E279-K283 PolarHBondContact O-N 3.34Å; W281-K283 VanDerWaalsContact C-N 3.33Å; W281-K283 PolarHBondContact O-N 3.11Å; K283-T286 PolarHBondContact O-OG1 2.92Å; K283-D316 WeakPolarHBondContact CE-OD2 3.45Å; K283-D316 IonicContact NZ-OD2 3.41Å; K283-D316 PolarHBondContact NZ-OD2 2.79Å
284	N	57.1	Low	54.5	Low	113 Å²	113	89 Å²	89	60%	0.604	44%	0.437	S	S	*	.	H	α-helix	trans	-72.7	-33.5	177.6	-68.9	-15.4	0	0	0	112.6	Q280 W281 V282 H287	Q280-N284 PolarHBondContact O-N 2.95Å; Q280-N284 PolarHBondContact O-ND2 2.65Å; W281-N284 PolarHBondContact O-N 3.49Å; V282-N284 VanDerWaalsContact C-N 3.3Å; V282-N284 PolarHBondContact O-N 3.42Å; N284-H287 PolarHBondContact O-CE1 3.4Å; N284-H287 PolarHBondContact O-ND1 3.12Å
285	I	54.9	Low	56.2	Low	59 Å²	59	83.2 Å²	83.2	30%	0.303	41%	0.408	S	S	.	.	H	α-helix	trans	-71.3	-35.6	-175.9	-71.9	162	0	0	0	113	W281 V282 H287 V342	W281-I285 HydrophobicContact CD2-CD1 3.58Å; W281-I285 HydrophobicContact CE3-CD1 3.37Å; W281-I285 HydrophobicContact CG-CD1 4.44Å; W281-I285 HydrophobicContact CH2-CD1 3.52Å; W281-I285 HydrophobicContact CZ2-CD1 3.7Å; W281-I285 HydrophobicContact CZ3-CD1 3.32Å; W281-I285 PolarHBondContact O-N 3Å; V282-I285 PolarHBondContact O-N 3.11Å; I285-H287 PolarHBondContact O-N 2.92Å; I285-V342 HydrophobicContact CD1-CG1 4.21Å; I285-V342 HydrophobicContact CG2-CG2 4.33Å
286	T	57.5	Low	57.4	Low	2 Å²	2	90 Å²	90	1%	0.012	43%	0.425	C	S	.	.	H	α-helix	trans	-75.8	-23	-171.2	49.3	0	0	0	0	114.1	K283 C288 V314 C335 K338	K283-T286 PolarHBondContact O-OG1 2.92Å; T286-C288 PolarHBondContact O-N 3.38Å; T286-C288 PolarHBondContact OG1-SG 2.92Å; T286-C288 VanDerWaalsContact OG1-SG 3.32Å; T286-V314 HydrophobicContact CG2-CG1 3.74Å; T286-C335 HydrophobicContact CG2-CB 4.4Å; T286-K338 PolarHBondContact O-NZ 3.03Å
287	H	57.2	Low	58.4	Low	153 Å²	153	86.2 Å²	86.2	71%	0.708	41%	0.406	S	S	*	.			trans	52.6	25.1	178.5	-89.4	37.5	0	0	0	114.2	N284 I285 Q289	N284-H287 PolarHBondContact O-CE1 3.4Å; N284-H287 PolarHBondContact O-ND1 3.12Å; I285-H287 PolarHBondContact O-N 2.92Å; H287-Q289 VanDerWaalsContact C-N 3.34Å; H287-Q289 PolarHBondContact O-N 2.8Å
288	C	63.1	Low	59.6	Low	5 Å²	5	79.5 Å²	79.5	3%	0.034	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.5	-168.1	57.4	0	0	0	0	115.3	T286 N290 D291 H292 C315 H317	T286-C288 PolarHBondContact O-N 3.38Å; T286-C288 PolarHBondContact OG1-SG 2.92Å; T286-C288 VanDerWaalsContact OG1-SG 3.32Å; C288-N290 PolarHBondContact O-N 2.85Å; C288-D291 PolarHBondContact O-N 3.02Å; C288-H292 PolarHBondContact O-N 2.84Å; C288-C315 WeakPolarHBondContact SG-CB 3.46Å; C288-H317 PolarHBondContact O-ND1 3.35Å
289	Q	56.7	Low	60.1	Low	154 Å²	154	75.1 Å²	75.1	72%	0.72	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	177.6	-70.3	177	-12.2	0	0	112.9	H287	H287-Q289 VanDerWaalsContact C-N 3.34Å; H287-Q289 PolarHBondContact O-N 2.8Å
290	N	55.9	Low	60.5	Low	95 Å²	95	74.7 Å²	74.7	51%	0.508	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.6	179.6	-63.1	-4.7	0	0	0	113.4	C288 N413 Y414	C288-N290 PolarHBondContact O-N 2.85Å; N290-N413 PolarHBondContact O-ND2 2.87Å; N290-Y414 PolarHBondContact O-OH 2.7Å
291	D	56.7	Low	60.7	Low	72 Å²	72	78.7 Å²	78.7	39%	0.385	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.4	-168.4	-62.6	-17.8	0	0	0	113.8	C288	C288-D291 PolarHBondContact O-N 3.02Å
292	H	71.7	Confident	61.1	Low	12 Å²	12	74.7 Å²	74.7	6%	0.056	37%	0.367	C	S	.	.	S	Bend	trans	-121.7	141.7	-171.2	-60	173.9	0	0	0	111.1	C288 H317 C332 S334 C335	C288-H292 PolarHBondContact O-N 2.84Å; H292-H317 HydrophobicContact CB-CB 3.7Å; H292-C332 VanDerWaalsContact CE1-CB 3.4Å; H292-C332 WeakPolarHBondContact CE1-CB 3.34Å; H292-C332 PolarHBondContact CE1-SG 3.32Å; H292-S334 PolarHBondContact CE1-OG 3.42Å; H292-S334 VanDerWaalsContact CE1-OG 3.22Å; H292-S334 PolarHBondContact NE2-OG 2.96Å; H292-C335 VanDerWaalsContact CE1-SG 3.54Å
293	L	69.9	Low	61.8	Low	28 Å²	28	77.9 Å²	77.9	15%	0.147	39%	0.388	C	S	.	.			trans	-73.1	137.8	-178.4	-63.2	175.5	0	0	0	112.1	L297 L318 L375 L388 F391	L293-L297 HydrophobicContact CB-CD1 4.4Å; L293-L297 HydrophobicContact CD2-CD1 4.1Å; L293-L318 HydrophobicContact CB-CD1 4.23Å; L293-L318 WeakPolarHBondContact O-CB 3.48Å; L293-L318 PolarHBondContact O-N 2.79Å; L293-L375 HydrophobicContact CD1-CD1 3.84Å; L293-L388 HydrophobicContact CD1-CD1 3.71Å; L293-F391 HydrophobicContact CD1-CD1 3.81Å; L293-F391 HydrophobicContact CD1-CE1 4.04Å; L293-F391 HydrophobicContact CD2-CE1 4.03Å
294	N	69.1	Low	62.1	Low	64 Å²	64	76.6 Å²	76.6	34%	0.342	40%	0.395	S	S	.	.			trans	-80.3	141.1	-179.3	-162.7	-59.9	0	0	0	110.9	K296 L297	N294-K296 PolarHBondContact O-N 3.32Å; N294-K296 VanDerWaalsContact O-N 3.14Å; N294-K296 WeakPolarHBondContact OD1-CB 2.82Å; N294-K296 WeakPolarHBondContact OD1-CG 3.12Å; N294-K296 PolarHBondContact OD1-N 3.38Å; N294-L297 WeakPolarHBondContact O-CB 3.49Å; N294-L297 PolarHBondContact O-N 2.66Å; N294-L297 VanDerWaalsContact O-N 3.1Å
295	T	65.9	Low	62.4	Low	38 Å²	38	77.4 Å²	77.4	23%	0.233	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.1	177	46.2	0	0	0	0	113.8	L297 I298 I307 T311 L318	T295-L297 PolarHBondContact O-N 3.37Å; T295-L297 VanDerWaalsContact O-N 3.08Å; T295-I298 HydrophobicContact CG2-CD1 4.48Å; T295-I298 WeakPolarHBondContact O-CB 3.42Å; T295-I298 WeakPolarHBondContact O-CG1 3.22Å; T295-I298 PolarHBondContact O-N 3.42Å; T295-I298 VanDerWaalsContact O-N 3.11Å; T295-I307 HydrophobicContact CG2-CG2 3.79Å; T295-T311 HydrophobicContact CG2-CG2 3.34Å; T295-L318 HydrophobicContact CG2-CD2 4.31Å; T295-L318 HydrophobicContact CG2-CG 4.15Å
296	K	64.5	Low	63.1	Low	186 Å²	186	78.7 Å²	78.7	81%	0.809	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-60.9	-10.3	172.1	-68.9	179.8	179.1	-174	0	114.9	N294	N294-K296 PolarHBondContact O-N 3.32Å; N294-K296 VanDerWaalsContact O-N 3.14Å; N294-K296 WeakPolarHBondContact OD1-CB 2.82Å; N294-K296 WeakPolarHBondContact OD1-CG 3.12Å; N294-K296 PolarHBondContact OD1-N 3.38Å
297	L	65.8	Low	63.7	Low	35 Å²	35	80.6 Å²	80.6	18%	0.183	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-87.1	-8.4	175.5	-62.5	174.7	0	0	0	113.4	L293 N294 T295 A299 L375 L376 P378 F391	L293-L297 HydrophobicContact CB-CD1 4.4Å; L293-L297 HydrophobicContact CD2-CD1 4.1Å; N294-L297 WeakPolarHBondContact O-CB 3.49Å; N294-L297 PolarHBondContact O-N 2.66Å; N294-L297 VanDerWaalsContact O-N 3.1Å; T295-L297 PolarHBondContact O-N 3.37Å; T295-L297 VanDerWaalsContact O-N 3.08Å; L297-A299 PolarHBondContact O-N 3.44Å; L297-L375 HydrophobicContact CB-CD2 4.24Å; L297-L375 CarbonylContact O-C 3.55Å; L297-L375 VanDerWaalsContact O-CA 3.24Å; L297-L375 WeakPolarHBondContact O-CA 3.45Å; L297-L376 PolarHBondContact O-N 3.16Å; L297-P378 HydrophobicContact CD2-CB 4.03Å; L297-P378 HydrophobicContact CD2-CG 4.14Å; L297-F391 HydrophobicContact CD1-CZ 4.43Å
298	I	69.1	Low	64.2	Low	23 Å²	23	77.9 Å²	77.9	12%	0.118	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-68.9	127.5	177.2	-59.6	168.3	0	0	0	109.1	T295 L302 I307 L318 L375	T295-I298 HydrophobicContact CG2-CD1 4.48Å; T295-I298 WeakPolarHBondContact O-CB 3.42Å; T295-I298 WeakPolarHBondContact O-CG1 3.22Å; T295-I298 PolarHBondContact O-N 3.42Å; T295-I298 VanDerWaalsContact O-N 3.11Å; I298-L302 HydrophobicContact CG2-CD1 3.98Å; I298-I307 HydrophobicContact CD1-CG1 4.24Å; I298-I307 HydrophobicContact CD1-CG2 4.01Å; I298-L318 HydrophobicContact CD1-CD2 4.3Å; I298-L375 HydrophobicContact CG1-CD2 3.91Å
299	A	57.8	Low	64.6	Low	33 Å²	33	80 Å²	80	27%	0.273	42%	0.417	S	S	.	.			trans	-77.5	-34	-171.5	0	0	0	0	0	114.2	L297 P374 L376 H385	L297-A299 PolarHBondContact O-N 3.44Å; A299-P374 PolarHBondContact N-O 2.77Å; A299-L376 HydrophobicContact CB-CB 4.49Å; A299-L376 HydrophobicContact CB-CD1 4.16Å; A299-L376 HydrophobicContact CB-CG 3.9Å; A299-H385 WeakPolarHBondContact CB-CD2 3.45Å
300	E	59.9	Low	65.6	Low	121 Å²	121	73 Å²	73	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-95	147	-176.3	-63.9	-175.4	159.1	0	0	112.2	L302 P374	E300-L302 HydrophobicContact CB-CG 4.29Å; E300-L302 PolarHBondContact O-N 3.47Å; E300-P374 HydrophobicContact CG-CG 4.47Å
301	K	55.8	Low	66.7	Low	218 Å²	218	69.1 Å²	69.1	95%	0.948	36%	0.364	S	S	*	.			trans	-75.6	64.9	173.7	-71.4	-175.3	178.3	176.6	0	111.6
302	L	63.2	Low	67.8	Low	42 Å²	42	65.7 Å²	65.7	22%	0.22	35%	0.346	C	S	.	.			trans	-64.7	149.1	173.3	-65.3	170.1	0	0	0	110.7	I298 E300 F306 I307 L373	I298-L302 HydrophobicContact CG2-CD1 3.98Å; E300-L302 HydrophobicContact CB-CG 4.29Å; E300-L302 PolarHBondContact O-N 3.47Å; L302-F306 HydrophobicContact CB-CD1 4.13Å; L302-F306 HydrophobicContact CD1-CD1 3.95Å; L302-F306 HydrophobicContact CD1-CE1 4.03Å; L302-F306 HydrophobicContact CD2-CD1 4.14Å; L302-F306 HydrophobicContact CD2-CE1 4.22Å; L302-F306 HydrophobicContact CG-CD1 4.3Å; L302-I307 HydrophobicContact CB-CD1 4.26Å; L302-I307 HydrophobicContact CB-CG1 3.98Å; L302-L373 HydrophobicContact CD1-CD2 4.3Å
303	P	69.9	Low	68	Low	86 Å²	86	68.4 Å²	68.4	56%	0.558	36%	0.36	S	S	*	.			trans	-56.4	145	176.4	-25.6	34.9	0	0	0	112.4	D305 F306 I307	P303-D305 VanDerWaalsContact C-N 3.28Å; P303-D305 PolarHBondContact O-N 3.25Å; P303-F306 HydrophobicContact CB-CB 4.3Å; P303-F306 WeakPolarHBondContact O-CA 3.46Å; P303-F306 WeakPolarHBondContact O-CB 3.38Å; P303-F306 PolarHBondContact O-N 2.71Å; P303-I307 PolarHBondContact O-N 3.49Å; P303-I307 VanDerWaalsContact O-N 3.09Å
304	A	61.7	Low	68.2	Low	69 Å²	69	67.3 Å²	67.3	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-55.8	-42.8	-176.6	0	0	0	0	0	112.5	F306 I307 I308	A304-F306 VanDerWaalsContact C-N 3.27Å; A304-F306 PolarHBondContact O-N 2.65Å; A304-I307 PolarHBondContact O-N 3.44Å; A304-I308 VanDerWaalsContact O-CG1 3.3Å; A304-I308 WeakPolarHBondContact O-CG1 3.02Å; A304-I308 PolarHBondContact O-N 3.29Å
305	D	63.1	Low	68.4	Low	130 Å²	130	64.6 Å²	64.6	70%	0.695	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-32.8	178.4	-48.9	-58.7	0	0	0	112.5	P303 S309	P303-D305 VanDerWaalsContact C-N 3.28Å; P303-D305 PolarHBondContact O-N 3.25Å; D305-S309 PolarHBondContact O-N 3.08Å
306	F	71.2	Confident	68.6	Low	87 Å²	87	66.3 Å²	66.3	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-72	-41.1	176.7	-167.1	-102.6	0	0	0	111.2	L302 P303 A304 I308 S309 F310	L302-F306 HydrophobicContact CB-CD1 4.13Å; L302-F306 HydrophobicContact CD1-CD1 3.95Å; L302-F306 HydrophobicContact CD1-CE1 4.03Å; L302-F306 HydrophobicContact CD2-CD1 4.14Å; L302-F306 HydrophobicContact CD2-CE1 4.22Å; L302-F306 HydrophobicContact CG-CD1 4.3Å; P303-F306 HydrophobicContact CB-CB 4.3Å; P303-F306 WeakPolarHBondContact O-CA 3.46Å; P303-F306 WeakPolarHBondContact O-CB 3.38Å; P303-F306 PolarHBondContact O-N 2.71Å; A304-F306 VanDerWaalsContact C-N 3.27Å; A304-F306 PolarHBondContact O-N 2.65Å; F306-I308 VanDerWaalsContact C-N 3.34Å; F306-I308 PolarHBondContact O-N 2.77Å; F306-S309 WeakPolarHBondContact O-CB 3.21Å; F306-S309 PolarHBondContact O-N 3Å; F306-S309 PolarHBondContact O-OG 3.47Å; F306-F310 HydrophobicContact CD1-CE2 4.11Å; F306-F310 HydrophobicContact CE1-CD2 4.46Å; F306-F310 AromaticContact CE1-CE2 3.69Å; F306-F310 HydrophobicContact CE1-CE2 3.69Å; F306-F310 HydrophobicContact CE2-CE2 4.24Å; F306-F310 AromaticContact CZ-CE2 3.76Å; F306-F310 HydrophobicContact CZ-CE2 3.76Å; F306-F310 HydrophobicContact CZ-CZ 4.32Å; F306-F310 WeakPolarHBondContact O-CD2 3.39Å
307	I	68.8	Low	69.3	Low	42 Å²	42	58.5 Å²	58.5	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-41.2	174.6	-62.8	174.5	0	0	0	110.7	T295 I298 L302 P303 A304 S309 F310	T295-I307 HydrophobicContact CG2-CG2 3.79Å; I298-I307 HydrophobicContact CD1-CG1 4.24Å; I298-I307 HydrophobicContact CD1-CG2 4.01Å; L302-I307 HydrophobicContact CB-CD1 4.26Å; L302-I307 HydrophobicContact CB-CG1 3.98Å; P303-I307 PolarHBondContact O-N 3.49Å; P303-I307 VanDerWaalsContact O-N 3.09Å; A304-I307 PolarHBondContact O-N 3.44Å; I307-S309 PolarHBondContact O-N 3.44Å; I307-F310 PolarHBondContact O-N 2.9Å; I307-F310 VanDerWaalsContact O-N 3.1Å
308	I	68.6	Low	69.8	Low	95 Å²	95	57 Å²	57	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-31.3	176.5	-69	163.5	0	0	0	111.7	A304 F306 F310 T311	A304-I308 VanDerWaalsContact O-CG1 3.3Å; A304-I308 WeakPolarHBondContact O-CG1 3.02Å; A304-I308 PolarHBondContact O-N 3.29Å; F306-I308 VanDerWaalsContact C-N 3.34Å; F306-I308 PolarHBondContact O-N 2.77Å; I308-F310 PolarHBondContact O-N 3.01Å; I308-T311 PolarHBondContact O-N 3.29Å; I308-T311 PolarHBondContact O-OG1 3.36Å
309	S	71.9	Confident	70.2	Confident	49 Å²	49	56.2 Å²	56.2	34%	0.343	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.1	177.4	79.6	0	0	0	0	114.6	D305 F306 I307 F366	D305-S309 PolarHBondContact O-N 3.08Å; F306-S309 WeakPolarHBondContact O-CB 3.21Å; F306-S309 PolarHBondContact O-N 3Å; F306-S309 PolarHBondContact O-OG 3.47Å; I307-S309 PolarHBondContact O-N 3.44Å; S309-F366 WeakPolarHBondContact O-CE2 3.49Å; S309-F366 WeakPolarHBondContact O-CZ 3.45Å
310	F	76.1	Confident	70.9	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.035	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	6.3	179.6	-61.9	-68.7	0	0	0	114.2	F306 I307 I308 L318 L319 F366 T369 L370 L373	F306-F310 HydrophobicContact CD1-CE2 4.11Å; F306-F310 HydrophobicContact CE1-CD2 4.46Å; F306-F310 AromaticContact CE1-CE2 3.69Å; F306-F310 HydrophobicContact CE1-CE2 3.69Å; F306-F310 HydrophobicContact CE2-CE2 4.24Å; F306-F310 AromaticContact CZ-CE2 3.76Å; F306-F310 HydrophobicContact CZ-CE2 3.76Å; F306-F310 HydrophobicContact CZ-CZ 4.32Å; F306-F310 WeakPolarHBondContact O-CD2 3.39Å; I307-F310 PolarHBondContact O-N 2.9Å; I307-F310 VanDerWaalsContact O-N 3.1Å; I308-F310 PolarHBondContact O-N 3.01Å; F310-L318 HydrophobicContact CB-CD2 4.27Å; F310-L319 WeakPolarHBondContact O-CG 3.25Å; F310-L319 PolarHBondContact O-N 3.42Å; F310-F366 HydrophobicContact CD1-CE1 4.47Å; F310-F366 AromaticContact CD1-CE2 3.64Å; F310-F366 HydrophobicContact CD1-CE2 3.64Å; F310-F366 AromaticContact CD1-CZ 3.6Å; F310-F366 HydrophobicContact CD1-CZ 3.6Å; F310-F366 AromaticContact CE1-CD2 3.93Å; F310-F366 HydrophobicContact CE1-CD2 3.93Å; F310-F366 AromaticContact CE1-CE2 3.43Å; F310-F366 HydrophobicContact CE1-CE2 3.43Å; F310-F366 VanDerWaalsContact CE1-CE2 3.43Å; F310-F366 AromaticContact CE1-CZ 3.83Å; F310-F366 HydrophobicContact CE1-CZ 3.83Å; F310-F366 HydrophobicContact CZ-CE2 4.32Å; F310-T369 HydrophobicContact CE1-CG2 4.3Å; F310-T369 HydrophobicContact CZ-CG2 3.69Å; F310-L370 HydrophobicContact CB-CD1 4.08Å; F310-L370 HydrophobicContact CD1-CB 3.87Å; F310-L370 HydrophobicContact CD1-CD1 3.78Å; F310-L370 HydrophobicContact CD1-CG 4.38Å; F310-L370 HydrophobicContact CE1-CB 3.99Å; F310-L370 HydrophobicContact CG-CD1 4.27Å; F310-L373 HydrophobicContact CB-CD1 4.11Å; F310-L373 HydrophobicContact CD1-CD1 4.35Å; F310-L373 HydrophobicContact CD2-CD1 4.01Å; F310-L373 HydrophobicContact CD2-CD2 4.42Å; F310-L373 HydrophobicContact CE2-CD2 4.36Å; F310-L373 HydrophobicContact CG-CD1 3.89Å
311	T	79.8	Confident	71.6	Confident	14 Å²	14	55.1 Å²	55.1	9%	0.086	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-96.5	155.2	174.4	58.8	0	0	0	0	113.1	T295 I308 D316 H317	T295-T311 HydrophobicContact CG2-CG2 3.34Å; I308-T311 PolarHBondContact O-N 3.29Å; I308-T311 PolarHBondContact O-OG1 3.36Å; T311-D316 WeakPolarHBondContact CG2-O 3.32Å; T311-H317 CarbonylContact C-O 3.55Å; T311-H317 VanDerWaalsContact CA-O 3.29Å; T311-H317 WeakPolarHBondContact CA-O 3.45Å
312	C	80.9	Confident	72.9	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.			trans	-83.3	121	170.8	168.6	0	0	0	0	110.8	V314 C315 D316 H317 L319 C332	C312-V314 PolarHBondContact O-N 2.88Å; C312-C315 VanDerWaalsContact CB-SG 3.59Å; C312-C315 PolarHBondContact O-N 2.77Å; C312-C315 VanDerWaalsContact SG-SG 3.68Å; C312-D316 PolarHBondContact O-N 2.88Å; C312-H317 PolarHBondContact N-O 3.25Å; C312-L319 HydrophobicContact CB-CD2 3.91Å; C312-C332 HydrophobicContact CB-CB 4.34Å; C312-C332 WeakPolarHBondContact CB-SG 3.45Å; C312-C332 PolarHBondContact SG-N 3.43Å
313	L	76.1	Confident	73.9	Confident	68 Å²	68	43.3 Å²	43.3	36%	0.356	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	23.8	-179.4	-60	169.4	0	0	0	115.3	H329 F331	L313-H329 HydrophobicContact CD1-CB 4.18Å; L313-F331 HydrophobicContact CB-CD1 4.15Å; L313-F331 HydrophobicContact CB-CE1 3.71Å
314	V	73.2	Confident	74.6	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.036	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-22.8	173.1	174.2	0	0	0	0	111.5	V282 T286 C312 F331 C335 P348	V282-V314 HydrophobicContact CG1-CG1 3.77Å; T286-V314 HydrophobicContact CG2-CG1 3.74Å; C312-V314 PolarHBondContact O-N 2.88Å; V314-F331 HydrophobicContact CG2-CD1 3.61Å; V314-F331 HydrophobicContact CG2-CE1 3.86Å; V314-C335 HydrophobicContact CB-CB 4.03Å; V314-C335 HydrophobicContact CG1-CB 3.91Å; V314-P348 HydrophobicContact CG2-CB 3.9Å; V314-P348 HydrophobicContact CG2-CG 3.46Å; V314-P348 VanDerWaalsContact CG2-CG 3.46Å
315	C	73.5	Confident	75.6	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-5.3	-177	63.1	0	0	0	0	115.8	C288 C312 H317 C335	C288-C315 WeakPolarHBondContact SG-CB 3.46Å; C312-C315 VanDerWaalsContact CB-SG 3.59Å; C312-C315 PolarHBondContact O-N 2.77Å; C312-C315 VanDerWaalsContact SG-SG 3.68Å; C315-H317 PolarHBondContact O-CD2 2.97Å; C315-H317 PolarHBondContact O-N 2.96Å; C315-C335 VanDerWaalsContact SG-SG 3.63Å
316	D	70.2	Confident	76.3	Confident	74 Å²	74	36.9 Å²	36.9	40%	0.396	20%	0.202	S	C	.	.			trans	59	7.3	179.9	-48	-13.5	0	0	0	115.2	K283 T311 C312	K283-D316 WeakPolarHBondContact CE-OD2 3.45Å; K283-D316 IonicContact NZ-OD2 3.41Å; K283-D316 PolarHBondContact NZ-OD2 2.79Å; T311-D316 WeakPolarHBondContact CG2-O 3.32Å; C312-D316 PolarHBondContact O-N 2.88Å
317	H	77.9	Confident	76.8	Confident	23 Å²	23	34.5 Å²	34.5	11%	0.106	20%	0.195	C	C	.	.	S	Bend	trans	-85.5	162.8	172.6	-59.4	171.5	0	0	0	110.5	C288 H292 T311 C312 C315	C288-H317 PolarHBondContact O-ND1 3.35Å; H292-H317 HydrophobicContact CB-CB 3.7Å; T311-H317 CarbonylContact C-O 3.55Å; T311-H317 VanDerWaalsContact CA-O 3.29Å; T311-H317 WeakPolarHBondContact CA-O 3.45Å; C312-H317 PolarHBondContact N-O 3.25Å; C315-H317 PolarHBondContact O-CD2 2.97Å; C315-H317 PolarHBondContact O-N 2.96Å
318	L	77.8	Confident	77.3	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-58	140.5	175	-75.9	166.1	0	0	0	111.1	L293 T295 I298 F310 C320 L373 L375	L293-L318 HydrophobicContact CB-CD1 4.23Å; L293-L318 WeakPolarHBondContact O-CB 3.48Å; L293-L318 PolarHBondContact O-N 2.79Å; T295-L318 HydrophobicContact CG2-CD2 4.31Å; T295-L318 HydrophobicContact CG2-CG 4.15Å; I298-L318 HydrophobicContact CD1-CD2 4.3Å; F310-L318 HydrophobicContact CB-CD2 4.27Å; L318-C320 PolarHBondContact O-N 2.83Å; L318-C320 VanDerWaalsContact O-N 3.13Å; L318-L373 HydrophobicContact CD2-CD1 4.32Å; L318-L375 HydrophobicContact CD1-CD2 3.95Å
319	L	77.8	Confident	78	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	19%	0.194	C	C	.	.			trans	-60.3	112.5	-176.6	-79.5	165.6	0	0	0	112.7	F310 C312 P322 L330 F331 F366 L370	F310-L319 WeakPolarHBondContact O-CG 3.25Å; F310-L319 PolarHBondContact O-N 3.42Å; C312-L319 HydrophobicContact CB-CD2 3.91Å; L319-P322 HydrophobicContact CB-CB 4.1Å; L319-P322 HydrophobicContact CD1-CB 4.38Å; L319-P322 HydrophobicContact CD2-CB 4.26Å; L319-P322 HydrophobicContact CG-CB 4.48Å; L319-L330 HydrophobicContact CD1-CB 4.12Å; L319-L330 HydrophobicContact CD1-CD1 4.13Å; L319-L330 HydrophobicContact CD2-CB 4.35Å; L319-F331 VanDerWaalsContact CD2-C 3.46Å; L319-F366 HydrophobicContact CD1-CE1 4.04Å; L319-F366 HydrophobicContact CD1-CZ 3.88Å; L319-L370 HydrophobicContact CB-CD1 4.39Å; L319-L370 HydrophobicContact CB-CD2 4.03Å
320	C	71.4	Confident	78.6	Confident	39 Å²	39	31.5 Å²	31.5	26%	0.264	18%	0.184	S	C	.	.	S	Bend	trans	-112	120.3	175.8	-166	0	0	0	0	109.1	L318 C332	L318-C320 PolarHBondContact O-N 2.83Å; L318-C320 VanDerWaalsContact O-N 3.13Å; C320-C332 PolarHBondContact N-SG 3.07Å; C320-C332 WeakPolarHBondContact O-CA 3.44Å; C320-C332 WeakPolarHBondContact O-CB 3.45Å
321	D	74.7	Confident	79	Confident	91 Å²	91	31.1 Å²	31.1	49%	0.487	18%	0.182	S	C	.	.	S	Bend	trans	48.6	67.2	-164.2	-165.6	32.1	0	0	0	111.6	V323 R333	D321-V323 PolarHBondContact O-N 2.69Å; D321-R333 HydrophobicContact CB-CB 4.22Å; D321-R333 WeakPolarHBondContact O-CB 3.27Å; D321-R333 PolarHBondContact O-N 3.43Å; D321-R333 VanDerWaalsContact OD2-CB 3.28Å; D321-R333 WeakPolarHBondContact OD2-CB 3.38Å; D321-R333 WeakPolarHBondContact OD2-CD 3.3Å
322	P	83.5	Confident	79.1	Confident	7 Å²	7	30.5 Å²	30.5	5%	0.045	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.4	-176.6	24.7	-33.9	0	0	0	112.2	L319 F331 P362 L367 L370	L319-P322 HydrophobicContact CB-CB 4.1Å; L319-P322 HydrophobicContact CD1-CB 4.38Å; L319-P322 HydrophobicContact CD2-CB 4.26Å; L319-P322 HydrophobicContact CG-CB 4.48Å; P322-F331 WeakPolarHBondContact CA-O 3.41Å; P322-P362 HydrophobicContact CB-CG 4.03Å; P322-P362 HydrophobicContact CG-CG 4.21Å; P322-P362 WeakPolarHBondContact O-CD 3.41Å; P322-L367 HydrophobicContact CG-CD2 3.49Å; P322-L367 VanDerWaalsContact CG-CD2 3.49Å; P322-L370 HydrophobicContact CG-CD2 4Å
323	V	84.3	Confident	79.2	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.8	167.9	-68	0	0	0	0	110.2	D321 F331 R333 I336 L359	D321-V323 PolarHBondContact O-N 2.69Å; V323-F331 HydrophobicContact CG2-CB 4.45Å; V323-F331 WeakPolarHBondContact CG2-O 3.37Å; V323-F331 PolarHBondContact N-O 3.49Å; V323-F331 PolarHBondContact O-N 2.97Å; V323-R333 HydrophobicContact CG1-CB 3.98Å; V323-R333 HydrophobicContact CG1-CG 4.02Å; V323-R333 HydrophobicContact CG2-CB 4.21Å; V323-I336 HydrophobicContact CG2-CG2 3.73Å; V323-L359 HydrophobicContact CB-CB 4.24Å; V323-L359 HydrophobicContact CG2-CD1 4.36Å; V323-L359 HydrophobicContact CG2-CD2 4.23Å
324	Q	84.8	Confident	79.3	Confident	61 Å²	61	35 Å²	35	29%	0.285	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.8	174.5	-164.2	164.1	27.5	0	0	109	G328 L330 T360	Q324-G328 WeakPolarHBondContact CG-O 3.42Å; Q324-G328 PolarHBondContact NE2-O 2.95Å; Q324-L330 HydrophobicContact CB-CD2 3.76Å; Q324-L330 HydrophobicContact CG-CD2 3.84Å; Q324-T360 PolarHBondContact N-O 2.8Å; Q324-T360 PolarHBondContact O-N 2.65Å
325	S	83.1	Confident	79.4	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	20%	0.195	C	C	.	.			trans	-83	160	171.4	57	0	0	0	0	110.8	C327 G328 H329	S325-C327 PolarHBondContact O-N 2.73Å; S325-C327 PolarHBondContact OG-SG 3.29Å; S325-G328 PolarHBondContact O-N 3.05Å; S325-H329 PolarHBondContact N-O 2.89Å; S325-H329 PolarHBondContact OG-N 3.29Å; S325-H329 PolarHBondContact OG-O 2.74Å
326	P	77.6	Confident	79.7	Confident	88 Å²	88	34.5 Å²	34.5	57%	0.571	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.4	177.9	-28.4	36.3	0	0	0	114.2	G328 D358	P326-G328 VanDerWaalsContact C-N 3.25Å; P326-G328 PolarHBondContact O-N 2.83Å; P326-D358 HydrophobicContact CG-CB 3.56Å
327	C	82	Confident	80.1	Confident	36 Å²	36	34.8 Å²	34.8	24%	0.243	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	18.2	174.5	68.5	0	0	0	0	114.6	S325 H329 C347 C350 L352	S325-C327 PolarHBondContact O-N 2.73Å; S325-C327 PolarHBondContact OG-SG 3.29Å; C327-H329 VanDerWaalsContact C-N 3.26Å; C327-H329 PolarHBondContact O-N 3.41Å; C327-H329 VanDerWaalsContact O-N 3.14Å; C327-H329 PolarHBondContact O-ND1 2.99Å; C327-H329 PolarHBondContact SG-ND1 3.17Å; C327-C347 PolarHBondContact SG-SG 3.02Å; C327-C350 PolarHBondContact SG-SG 2.67Å; C327-L352 HydrophobicContact CB-CD1 3.68Å
328	G	78.2	Confident	80	Confident	39 Å²	39	37.3 Å²	37.3	40%	0.402	21%	0.205	S	C	.	.	S	Bend	trans	79.9	-18.1	174.4	0	0	0	0	0	116.4	Q324 S325 P326	Q324-G328 WeakPolarHBondContact CG-O 3.42Å; Q324-G328 PolarHBondContact NE2-O 2.95Å; S325-G328 PolarHBondContact O-N 3.05Å; P326-G328 VanDerWaalsContact C-N 3.25Å; P326-G328 PolarHBondContact O-N 2.83Å
329	H	84.3	Confident	79.9	Confident	59 Å²	59	37.9 Å²	37.9	27%	0.273	21%	0.207	S	C	.	.			trans	-70.2	141.8	-176.7	-63.9	87.2	0	0	0	112.8	L313 S325 C327 F331 S349	L313-H329 HydrophobicContact CD1-CB 4.18Å; S325-H329 PolarHBondContact N-O 2.89Å; S325-H329 PolarHBondContact OG-N 3.29Å; S325-H329 PolarHBondContact OG-O 2.74Å; C327-H329 VanDerWaalsContact C-N 3.26Å; C327-H329 PolarHBondContact O-N 3.41Å; C327-H329 VanDerWaalsContact O-N 3.14Å; C327-H329 PolarHBondContact O-ND1 2.99Å; C327-H329 PolarHBondContact SG-ND1 3.17Å; H329-F331 HydrophobicContact CB-CE2 3.76Å; H329-F331 HydrophobicContact CB-CZ 3.71Å; H329-S349 WeakPolarHBondContact CD2-CB 3.25Å
330	L	84.5	Confident	79.8	Confident	26 Å²	26	38.3 Å²	38.3	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.2	-174.3	-64.2	173	0	0	0	113.1	L319 Q324 P362 F366	L319-L330 HydrophobicContact CD1-CB 4.12Å; L319-L330 HydrophobicContact CD1-CD1 4.13Å; L319-L330 HydrophobicContact CD2-CB 4.35Å; Q324-L330 HydrophobicContact CB-CD2 3.76Å; Q324-L330 HydrophobicContact CG-CD2 3.84Å; L330-P362 HydrophobicContact CD2-CB 3.93Å; L330-P362 HydrophobicContact CD2-CG 4.37Å; L330-F366 HydrophobicContact CD1-CE1 3.81Å; L330-F366 HydrophobicContact CD1-CE2 3.96Å; L330-F366 HydrophobicContact CD1-CZ 3.44Å; L330-F366 VanDerWaalsContact CD1-CZ 3.44Å
331	F	83.9	Confident	79.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.2	-179.3	-52.1	-76	0	0	0	111.8	L313 V314 L319 P322 V323 H329 I336 P348	L313-F331 HydrophobicContact CB-CD1 4.15Å; L313-F331 HydrophobicContact CB-CE1 3.71Å; V314-F331 HydrophobicContact CG2-CD1 3.61Å; V314-F331 HydrophobicContact CG2-CE1 3.86Å; L319-F331 VanDerWaalsContact CD2-C 3.46Å; P322-F331 WeakPolarHBondContact CA-O 3.41Å; V323-F331 HydrophobicContact CG2-CB 4.45Å; V323-F331 WeakPolarHBondContact CG2-O 3.37Å; V323-F331 PolarHBondContact N-O 3.49Å; V323-F331 PolarHBondContact O-N 2.97Å; H329-F331 HydrophobicContact CB-CE2 3.76Å; H329-F331 HydrophobicContact CB-CZ 3.71Å; F331-I336 HydrophobicContact CB-CB 3.87Å; F331-I336 HydrophobicContact CB-CG2 4.22Å; F331-I336 HydrophobicContact CD2-CB 4.34Å; F331-I336 HydrophobicContact CD2-CD1 4.09Å; F331-I336 HydrophobicContact CD2-CG1 4.18Å; F331-I336 HydrophobicContact CE2-CD1 4.24Å; F331-I336 HydrophobicContact CG-CB 4.13Å; F331-I336 HydrophobicContact CG-CD1 4.3Å; F331-I336 HydrophobicContact CG-CG1 4.41Å; F331-P348 HydrophobicContact CD1-CG 4.43Å; F331-P348 HydrophobicContact CE1-CB 4.1Å; F331-P348 HydrophobicContact CE1-CG 3.73Å; F331-P348 HydrophobicContact CZ-CB 4.44Å; F331-P348 HydrophobicContact CZ-CG 4.01Å
332	C	82.4	Confident	79.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.4	159.4	-57.6	0	0	0	0	108.7	H292 C312 C320 S334 C335 I336	H292-C332 VanDerWaalsContact CE1-CB 3.4Å; H292-C332 WeakPolarHBondContact CE1-CB 3.34Å; H292-C332 PolarHBondContact CE1-SG 3.32Å; C312-C332 HydrophobicContact CB-CB 4.34Å; C312-C332 WeakPolarHBondContact CB-SG 3.45Å; C312-C332 PolarHBondContact SG-N 3.43Å; C320-C332 PolarHBondContact N-SG 3.07Å; C320-C332 WeakPolarHBondContact O-CA 3.44Å; C320-C332 WeakPolarHBondContact O-CB 3.45Å; C332-S334 PolarHBondContact O-N 3.25Å; C332-C335 HydrophobicContact CB-CB 4.17Å; C332-C335 WeakPolarHBondContact O-CB 3.29Å; C332-C335 PolarHBondContact O-N 2.91Å; C332-I336 PolarHBondContact O-N 3.47Å; C332-I336 VanDerWaalsContact O-N 3.14Å
333	R	81.8	Confident	78.9	Confident	120 Å²	120	45.9 Å²	45.9	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-54.2	-39.8	-179.7	-166.4	175.9	-166.5	156	7.8	113.1	D321 V323 C335 I337	D321-R333 HydrophobicContact CB-CB 4.22Å; D321-R333 WeakPolarHBondContact O-CB 3.27Å; D321-R333 PolarHBondContact O-N 3.43Å; D321-R333 VanDerWaalsContact OD2-CB 3.28Å; D321-R333 WeakPolarHBondContact OD2-CB 3.38Å; D321-R333 WeakPolarHBondContact OD2-CD 3.3Å; V323-R333 HydrophobicContact CG1-CB 3.98Å; V323-R333 HydrophobicContact CG1-CG 4.02Å; V323-R333 HydrophobicContact CG2-CB 4.21Å; R333-C335 VanDerWaalsContact C-N 3.35Å; R333-C335 PolarHBondContact O-N 2.75Å; R333-I337 HydrophobicContact CG-CD1 3.92Å; R333-I337 WeakPolarHBondContact O-CD1 3.32Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.43Å; R333-I337 PolarHBondContact O-N 2.83Å
334	S	77.6	Confident	78.4	Confident	43 Å²	43	46.7 Å²	46.7	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-40.7	174.4	56.9	0	0	0	0	113.1	H292 C332 K338	H292-S334 PolarHBondContact CE1-OG 3.42Å; H292-S334 VanDerWaalsContact CE1-OG 3.22Å; H292-S334 PolarHBondContact NE2-OG 2.96Å; C332-S334 PolarHBondContact O-N 3.25Å; S334-K338 WeakPolarHBondContact O-CB 3.43Å; S334-K338 VanDerWaalsContact O-CG 3.24Å; S334-K338 WeakPolarHBondContact O-CG 3.36Å; S334-K338 PolarHBondContact O-N 3.04Å
335	C	77.2	Confident	78	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-75.6	-45	-176.8	-75.9	0	0	0	0	112.7	T286 H292 V314 C315 C332 R333 I337 K338 F339	T286-C335 HydrophobicContact CG2-CB 4.4Å; H292-C335 VanDerWaalsContact CE1-SG 3.54Å; V314-C335 HydrophobicContact CB-CB 4.03Å; V314-C335 HydrophobicContact CG1-CB 3.91Å; C315-C335 VanDerWaalsContact SG-SG 3.63Å; C332-C335 HydrophobicContact CB-CB 4.17Å; C332-C335 WeakPolarHBondContact O-CB 3.29Å; C332-C335 PolarHBondContact O-N 2.91Å; R333-C335 VanDerWaalsContact C-N 3.35Å; R333-C335 PolarHBondContact O-N 2.75Å; C335-I337 PolarHBondContact O-N 3.26Å; C335-K338 PolarHBondContact O-N 3.31Å; C335-F339 WeakPolarHBondContact O-CB 3.17Å; C335-F339 PolarHBondContact O-N 3.15Å
336	I	78.7	Confident	77.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-32.8	-178.7	-171.3	61.3	0	0	0	112.2	V323 F331 C332 F339 T340 P348 L359	V323-I336 HydrophobicContact CG2-CG2 3.73Å; F331-I336 HydrophobicContact CB-CB 3.87Å; F331-I336 HydrophobicContact CB-CG2 4.22Å; F331-I336 HydrophobicContact CD2-CB 4.34Å; F331-I336 HydrophobicContact CD2-CD1 4.09Å; F331-I336 HydrophobicContact CD2-CG1 4.18Å; F331-I336 HydrophobicContact CE2-CD1 4.24Å; F331-I336 HydrophobicContact CG-CB 4.13Å; F331-I336 HydrophobicContact CG-CD1 4.3Å; F331-I336 HydrophobicContact CG-CG1 4.41Å; C332-I336 PolarHBondContact O-N 3.47Å; C332-I336 VanDerWaalsContact O-N 3.14Å; I336-F339 PolarHBondContact O-N 3.48Å; I336-T340 HydrophobicContact CD1-CG2 4.22Å; I336-T340 HydrophobicContact CG1-CG2 4.43Å; I336-T340 WeakPolarHBondContact O-CG2 3.38Å; I336-T340 PolarHBondContact O-N 2.89Å; I336-T340 PolarHBondContact O-OG1 3.12Å; I336-P348 VanDerWaalsContact CD1-CD 3.5Å; I336-P348 HydrophobicContact CD1-CG 3.85Å; I336-L359 HydrophobicContact CG1-CD1 4.34Å; I336-L359 HydrophobicContact CG1-CD2 4.31Å; I336-L359 HydrophobicContact CG2-CD1 3.63Å; I336-L359 HydrophobicContact CG2-CD2 4.39Å
337	I	77.9	Confident	77.9	Confident	80 Å²	80	46.1 Å²	46.1	41%	0.41	25%	0.249	S	C	.	.	H	α-helix	trans	-69	-44.8	172.9	-65.6	171.8	0	0	0	110.9	R333 C335 F339 T340 H341	R333-I337 HydrophobicContact CG-CD1 3.92Å; R333-I337 WeakPolarHBondContact O-CD1 3.32Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.43Å; R333-I337 PolarHBondContact O-N 2.83Å; C335-I337 PolarHBondContact O-N 3.26Å; I337-F339 VanDerWaalsContact C-N 3.29Å; I337-F339 PolarHBondContact O-N 3.27Å; I337-T340 PolarHBondContact O-N 2.93Å; I337-T340 PolarHBondContact O-OG1 3.24Å; I337-H341 WeakPolarHBondContact O-CB 3.39Å; I337-H341 PolarHBondContact O-N 3.12Å; I337-H341 VanDerWaalsContact O-N 3.1Å
338	K	76.8	Confident	77.4	Confident	76 Å²	76	46 Å²	46	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-40.2	173.3	-77.4	173.3	177.7	174.2	0	111.6	T286 S334 C335 V342	T286-K338 PolarHBondContact O-NZ 3.03Å; S334-K338 WeakPolarHBondContact O-CB 3.43Å; S334-K338 VanDerWaalsContact O-CG 3.24Å; S334-K338 WeakPolarHBondContact O-CG 3.36Å; S334-K338 PolarHBondContact O-N 3.04Å; C335-K338 PolarHBondContact O-N 3.31Å; K338-V342 WeakPolarHBondContact O-CG2 3.49Å
339	F	75.4	Confident	77.3	Confident	16 Å²	16	46.7 Å²	46.7	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-51.8	177.8	-176.4	-83.1	0	0	0	112.3	V282 C335 I336 I337 H341 V342 L343 H346 P348	V282-F339 HydrophobicContact CG1-CD2 4.16Å; V282-F339 HydrophobicContact CG1-CE2 4.39Å; V282-F339 HydrophobicContact CG2-CD2 4.4Å; V282-F339 HydrophobicContact CG2-CE2 4.04Å; C335-F339 WeakPolarHBondContact O-CB 3.17Å; C335-F339 PolarHBondContact O-N 3.15Å; I336-F339 PolarHBondContact O-N 3.48Å; I337-F339 VanDerWaalsContact C-N 3.29Å; I337-F339 PolarHBondContact O-N 3.27Å; F339-H341 VanDerWaalsContact C-N 3.28Å; F339-H341 PolarHBondContact O-N 3.18Å; F339-V342 PolarHBondContact O-N 3.35Å; F339-L343 HydrophobicContact CD1-CB 4.43Å; F339-L343 HydrophobicContact CD2-CD1 4.14Å; F339-L343 HydrophobicContact CE1-CB 4.06Å; F339-L343 HydrophobicContact CE1-CD1 4.29Å; F339-L343 HydrophobicContact CE2-CD1 3.54Å; F339-L343 HydrophobicContact CZ-CB 4.21Å; F339-L343 HydrophobicContact CZ-CD1 3.62Å; F339-L343 PolarHBondContact O-N 2.9Å; F339-H346 WeakPolarHBondContact CE1-O 3.49Å; F339-P348 HydrophobicContact CD1-CG 3.78Å; F339-P348 HydrophobicContact CD2-CB 4.35Å; F339-P348 HydrophobicContact CD2-CG 3.93Å; F339-P348 HydrophobicContact CE1-CB 4.27Å; F339-P348 HydrophobicContact CE1-CG 3.76Å; F339-P348 HydrophobicContact CE2-CB 3.88Å; F339-P348 HydrophobicContact CE2-CG 3.89Å; F339-P348 HydrophobicContact CG-CG 3.88Å; F339-P348 HydrophobicContact CZ-CB 3.85Å; F339-P348 HydrophobicContact CZ-CG 3.82Å
340	T	75.9	Confident	77	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-29.1	-176	49.8	0	0	0	0	112.9	I336 I337 V342 G344	I336-T340 HydrophobicContact CD1-CG2 4.22Å; I336-T340 HydrophobicContact CG1-CG2 4.43Å; I336-T340 WeakPolarHBondContact O-CG2 3.38Å; I336-T340 PolarHBondContact O-N 2.89Å; I336-T340 PolarHBondContact O-OG1 3.12Å; I337-T340 PolarHBondContact O-N 2.93Å; I337-T340 PolarHBondContact O-OG1 3.24Å; T340-V342 VanDerWaalsContact C-N 3.29Å; T340-V342 PolarHBondContact O-N 3.04Å; T340-G344 WeakPolarHBondContact CA-O 3.29Å; T340-G344 CarbonylContact O-C 3.32Å; T340-G344 WeakPolarHBondContact O-CA 3.07Å; T340-G344 PolarHBondContact O-N 2.85Å
341	H	73.5	Confident	76.5	Confident	166 Å²	166	49.1 Å²	49.1	77%	0.769	27%	0.265	S	S	*	.	H	α-helix	trans	-66.3	-25.4	171	-171.3	-65.2	0	0	0	113.6	I337 F339	I337-H341 WeakPolarHBondContact O-CB 3.39Å; I337-H341 PolarHBondContact O-N 3.12Å; I337-H341 VanDerWaalsContact O-N 3.1Å; F339-H341 VanDerWaalsContact C-N 3.28Å; F339-H341 PolarHBondContact O-N 3.18Å
342	V	68.6	Low	76.2	Confident	72 Å²	72	54 Å²	54	44%	0.436	29%	0.29	S	S	.	.	H	α-helix	trans	-104.6	-31.8	-175.3	178.9	0	0	0	0	113	W281 I285 K338 F339 T340	W281-V342 HydrophobicContact CH2-CG1 3.76Å; W281-V342 HydrophobicContact CZ3-CG1 4.25Å; I285-V342 HydrophobicContact CD1-CG1 4.21Å; I285-V342 HydrophobicContact CG2-CG2 4.33Å; K338-V342 WeakPolarHBondContact O-CG2 3.49Å; F339-V342 PolarHBondContact O-N 3.35Å; T340-V342 VanDerWaalsContact C-N 3.29Å; T340-V342 PolarHBondContact O-N 3.04Å
343	L	68.3	Low	75.8	Confident	57 Å²	57	58.3 Å²	58.3	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-120.1	5.7	-176.3	-70.4	175.2	0	0	0	114.4	W281 V282 F339	W281-L343 HydrophobicContact CH2-CD2 4.36Å; W281-L343 HydrophobicContact CZ3-CD1 4.07Å; W281-L343 HydrophobicContact CZ3-CD2 3.92Å; W281-L343 HydrophobicContact CZ3-CG 4.11Å; V282-L343 HydrophobicContact CG2-CD1 4.41Å; F339-L343 HydrophobicContact CD1-CB 4.43Å; F339-L343 HydrophobicContact CD2-CD1 4.14Å; F339-L343 HydrophobicContact CE1-CB 4.06Å; F339-L343 HydrophobicContact CE1-CD1 4.29Å; F339-L343 HydrophobicContact CE2-CD1 3.54Å; F339-L343 HydrophobicContact CZ-CB 4.21Å; F339-L343 HydrophobicContact CZ-CD1 3.62Å; F339-L343 PolarHBondContact O-N 2.9Å
344	G	73.3	Confident	75.5	Confident	23 Å²	23	52.6 Å²	52.6	24%	0.237	30%	0.299	C	S	.	.			trans	83.6	172.4	-179.3	0	0	0	0	0	114.1	T340 H346	T340-G344 WeakPolarHBondContact CA-O 3.29Å; T340-G344 CarbonylContact O-C 3.32Å; T340-G344 WeakPolarHBondContact O-CA 3.07Å; T340-G344 PolarHBondContact O-N 2.85Å; G344-H346 PolarHBondContact O-N 3.16Å
345	P	77.6	Confident	75.3	Confident	63 Å²	63	52 Å²	52	41%	0.409	30%	0.296	S	S	.	.	S	Bend	trans	-77.4	65	-170.5	33.6	-37.5	0	0	0	112.9	S353 C354	P345-S353 WeakPolarHBondContact O-CA 3.44Å; P345-C354 CarbonylContact C-O 3.44Å; P345-C354 VanDerWaalsContact C-O 3.28Å; P345-C354 WeakPolarHBondContact CA-O 3.4Å; P345-C354 WeakPolarHBondContact CB-O 3.32Å; P345-C354 PolarHBondContact O-N 2.66Å
346	H	78.4	Confident	74.9	Confident	75 Å²	75	55 Å²	55	35%	0.347	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-128.6	145.6	177.5	-56.2	97.2	0	0	0	110.9	F339 G344 P348 L352	F339-H346 WeakPolarHBondContact CE1-O 3.49Å; G344-H346 PolarHBondContact O-N 3.16Å; H346-P348 WeakPolarHBondContact O-CD 3.47Å; H346-L352 CarbonylContact C-O 3.57Å; H346-L352 VanDerWaalsContact CA-O 3.29Å; H346-L352 WeakPolarHBondContact CA-O 3.45Å
347	C	79	Confident	74.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.007	36%	0.355	C	S	.	.			trans	-65.6	126.1	173.7	179.2	0	0	0	0	111	C327 S349 C350 N351 L352	C327-C347 PolarHBondContact SG-SG 3.02Å; C347-S349 PolarHBondContact O-N 3.11Å; C347-S349 VanDerWaalsContact O-N 3.17Å; C347-C350 VanDerWaalsContact SG-SG 3.62Å; C347-N351 WeakPolarHBondContact O-CA 3.41Å; C347-N351 PolarHBondContact O-N 2.66Å; C347-L352 PolarHBondContact N-O 2.83Å
348	P	72.3	Confident	74.7	Confident	33 Å²	33	62 Å²	62	21%	0.214	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.9	176.8	-26.6	30.4	0	0	0	114.9	V314 F331 I336 F339 H346	V314-P348 HydrophobicContact CG2-CB 3.9Å; V314-P348 HydrophobicContact CG2-CG 3.46Å; V314-P348 VanDerWaalsContact CG2-CG 3.46Å; F331-P348 HydrophobicContact CD1-CG 4.43Å; F331-P348 HydrophobicContact CE1-CB 4.1Å; F331-P348 HydrophobicContact CE1-CG 3.73Å; F331-P348 HydrophobicContact CZ-CB 4.44Å; F331-P348 HydrophobicContact CZ-CG 4.01Å; I336-P348 VanDerWaalsContact CD1-CD 3.5Å; I336-P348 HydrophobicContact CD1-CG 3.85Å; F339-P348 HydrophobicContact CD1-CG 3.78Å; F339-P348 HydrophobicContact CD2-CB 4.35Å; F339-P348 HydrophobicContact CD2-CG 3.93Å; F339-P348 HydrophobicContact CE1-CB 4.27Å; F339-P348 HydrophobicContact CE1-CG 3.76Å; F339-P348 HydrophobicContact CE2-CB 3.88Å; F339-P348 HydrophobicContact CE2-CG 3.89Å; F339-P348 HydrophobicContact CG-CG 3.88Å; F339-P348 HydrophobicContact CZ-CB 3.85Å; F339-P348 HydrophobicContact CZ-CG 3.82Å; H346-P348 WeakPolarHBondContact O-CD 3.47Å
349	S	75.4	Confident	74.9	Confident	54 Å²	54	59.5 Å²	59.5	38%	0.378	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-34.3	-167.4	-47.7	0	0	0	0	114	H329 C347	H329-S349 WeakPolarHBondContact CD2-CB 3.25Å; C347-S349 PolarHBondContact O-N 3.11Å; C347-S349 VanDerWaalsContact O-N 3.17Å
350	C	79.1	Confident	75.2	Confident	51 Å²	51	62.3 Å²	62.3	35%	0.345	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-0.6	-176.1	65.9	0	0	0	0	114.3	C327 C347 L352	C327-C350 PolarHBondContact SG-SG 2.67Å; C347-C350 VanDerWaalsContact SG-SG 3.62Å; C350-L352 PolarHBondContact O-N 2.81Å
351	N	73.1	Confident	75.5	Confident	84 Å²	84	66.2 Å²	66.2	45%	0.449	39%	0.389	S	S	.	.			trans	59.2	13.3	176.7	-146.9	95.7	0	0	0	115.7	C347	C347-N351 WeakPolarHBondContact O-CA 3.41Å; C347-N351 PolarHBondContact O-N 2.66Å
352	L	78	Confident	76	Confident	103 Å²	103	58.8 Å²	58.8	54%	0.539	36%	0.355	S	S	.	.			trans	-66	154.3	167.2	-74	171	0	0	0	111.3	C327 H346 C347 C350	C327-L352 HydrophobicContact CB-CD1 3.68Å; H346-L352 CarbonylContact C-O 3.57Å; H346-L352 VanDerWaalsContact CA-O 3.29Å; H346-L352 WeakPolarHBondContact CA-O 3.45Å; C347-L352 PolarHBondContact N-O 2.83Å; C350-L352 PolarHBondContact O-N 2.81Å
353	S	74.7	Confident	76.6	Confident	90 Å²	90	58.1 Å²	58.1	63%	0.629	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-59.4	137.7	175	-172.7	0	0	0	0	111.4	P345	P345-S353 WeakPolarHBondContact O-CA 3.44Å
354	C	75.9	Confident	77.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	38%	0.382	C	S	.	.			trans	-154.9	101.4	177.2	-172.7	0	0	0	0	108.8	P345	P345-C354 CarbonylContact C-O 3.44Å; P345-C354 VanDerWaalsContact C-O 3.28Å; P345-C354 WeakPolarHBondContact CA-O 3.4Å; P345-C354 WeakPolarHBondContact CB-O 3.32Å; P345-C354 PolarHBondContact O-N 2.66Å
355	A	72.8	Confident	77.4	Confident	29 Å²	29	68.2 Å²	68.2	24%	0.24	40%	0.401	C	S	.	.			trans	-74.6	158.9	171.6	0	0	0	0	0	110.6	D357 D358	A355-D357 PolarHBondContact O-N 3.48Å; A355-D358 WeakPolarHBondContact CA-OD2 3.47Å; A355-D358 VanDerWaalsContact CB-OD2 3.27Å; A355-D358 WeakPolarHBondContact CB-OD2 3.42Å; A355-D358 PolarHBondContact N-OD2 2.72Å; A355-D358 PolarHBondContact O-N 3.43Å
356	P	69.1	Low	77.6	Confident	65 Å²	65	67.3 Å²	67.3	42%	0.422	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	175.4	-24.4	35.7	0	0	0	114.1
357	D	73.7	Confident	77.6	Confident	155 Å²	155	65.5 Å²	65.5	83%	0.829	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-82.8	-17.4	-179.8	-57	-51.6	0	0	0	113	A355 L359	A355-D357 PolarHBondContact O-N 3.48Å; D357-L359 PolarHBondContact O-N 2.83Å
358	D	77.4	Confident	77.5	Confident	73 Å²	73	69.3 Å²	69.3	39%	0.39	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-81.6	2.8	179.9	-52.9	-36	0	0	0	113.4	P326 A355 T360	P326-D358 HydrophobicContact CG-CB 3.56Å; A355-D358 WeakPolarHBondContact CA-OD2 3.47Å; A355-D358 VanDerWaalsContact CB-OD2 3.27Å; A355-D358 WeakPolarHBondContact CB-OD2 3.42Å; A355-D358 PolarHBondContact N-OD2 2.72Å; A355-D358 PolarHBondContact O-N 3.43Å; D358-T360 PolarHBondContact O-N 3.39Å
359	L	81.1	Confident	77.8	Confident	22 Å²	22	70.6 Å²	70.6	12%	0.115	42%	0.418	C	S	.	.			trans	-87.9	103.9	-170.4	-68.9	173.1	0	0	0	112	V323 I336 D357	V323-L359 HydrophobicContact CB-CB 4.24Å; V323-L359 HydrophobicContact CG2-CD1 4.36Å; V323-L359 HydrophobicContact CG2-CD2 4.23Å; I336-L359 HydrophobicContact CG1-CD1 4.34Å; I336-L359 HydrophobicContact CG1-CD2 4.31Å; I336-L359 HydrophobicContact CG2-CD1 3.63Å; I336-L359 HydrophobicContact CG2-CD2 4.39Å; D357-L359 PolarHBondContact O-N 2.83Å
360	T	83.2	Confident	78.1	Confident	75 Å²	75	68 Å²	68	46%	0.46	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-90.7	151.6	179.1	54.7	0	0	0	0	112.1	Q324 D358	Q324-T360 PolarHBondContact N-O 2.8Å; Q324-T360 PolarHBondContact O-N 2.65Å; D358-T360 PolarHBondContact O-N 3.39Å
361	P	80.9	Confident	78	Confident	99 Å²	99	70.6 Å²	70.6	64%	0.643	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-70.3	143.9	167.2	30.3	-33.8	0	0	0	110.3
362	P	83.3	Confident	78.2	Confident	9 Å²	9	69 Å²	69	6%	0.058	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-69.9	168.4	176.9	31.5	-36.9	0	0	0	112.2	P322 L330 F366 L367	P322-P362 HydrophobicContact CB-CG 4.03Å; P322-P362 HydrophobicContact CG-CG 4.21Å; P322-P362 WeakPolarHBondContact O-CD 3.41Å; L330-P362 HydrophobicContact CD2-CB 3.93Å; L330-P362 HydrophobicContact CD2-CG 4.37Å; P362-F366 HydrophobicContact CB-CD1 3.94Å; P362-F366 HydrophobicContact CG-CD1 3.94Å; P362-F366 HydrophobicContact CG-CE1 4.34Å; P362-L367 HydrophobicContact CG-CD2 3.79Å; P362-L367 HydrophobicContact CG-CG 4.15Å
363	A	82.6	Confident	78.2	Confident	59 Å²	59	64.5 Å²	64.5	49%	0.488	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-54.3	141.2	-177.9	0	0	0	0	0	113.4	T365 F366 L367	A363-T365 PolarHBondContact O-N 2.64Å; A363-T365 VanDerWaalsContact O-N 3.13Å; A363-F366 WeakPolarHBondContact O-CB 3.47Å; A363-F366 PolarHBondContact O-N 2.58Å; A363-L367 PolarHBondContact O-N 3.02Å
364	K	79.4	Confident	78.2	Confident	186 Å²	186	61.8 Å²	61.8	81%	0.809	36%	0.355	S	S	*	.	H	α-helix	trans	-56.4	-31.7	-179.3	-68.5	-176.3	178.7	179.7	0	113.5	S368	K364-S368 WeakPolarHBondContact O-CB 3.45Å; K364-S368 PolarHBondContact O-N 3.24Å
365	T	78.1	Confident	78.1	Confident	106 Å²	106	61.7 Å²	61.7	65%	0.65	36%	0.355	S	S	*	.	H	α-helix	trans	-63.3	-50.9	174.2	44.3	0	0	0	0	111.5	A363 L367 S368 T369	A363-T365 PolarHBondContact O-N 2.64Å; A363-T365 VanDerWaalsContact O-N 3.13Å; T365-L367 VanDerWaalsContact C-N 3.32Å; T365-L367 PolarHBondContact O-N 3.17Å; T365-S368 WeakPolarHBondContact O-CB 3.44Å; T365-S368 PolarHBondContact O-N 2.67Å; T365-S368 VanDerWaalsContact O-N 3.11Å; T365-T369 PolarHBondContact O-N 3.3Å; T365-T369 PolarHBondContact O-OG1 2.77Å
366	F	82.4	Confident	78.1	Confident	43 Å²	43	63.6 Å²	63.6	19%	0.189	36%	0.36	C	S	.	.	H	α-helix	trans	-58.7	-42.5	175.4	176.2	-92.5	0	0	0	112	S309 F310 L319 L330 P362 A363 S368 T369 L370	S309-F366 WeakPolarHBondContact O-CE2 3.49Å; S309-F366 WeakPolarHBondContact O-CZ 3.45Å; F310-F366 HydrophobicContact CD1-CE1 4.47Å; F310-F366 AromaticContact CD1-CE2 3.64Å; F310-F366 HydrophobicContact CD1-CE2 3.64Å; F310-F366 AromaticContact CD1-CZ 3.6Å; F310-F366 HydrophobicContact CD1-CZ 3.6Å; F310-F366 AromaticContact CE1-CD2 3.93Å; F310-F366 HydrophobicContact CE1-CD2 3.93Å; F310-F366 AromaticContact CE1-CE2 3.43Å; F310-F366 HydrophobicContact CE1-CE2 3.43Å; F310-F366 VanDerWaalsContact CE1-CE2 3.43Å; F310-F366 AromaticContact CE1-CZ 3.83Å; F310-F366 HydrophobicContact CE1-CZ 3.83Å; F310-F366 HydrophobicContact CZ-CE2 4.32Å; L319-F366 HydrophobicContact CD1-CE1 4.04Å; L319-F366 HydrophobicContact CD1-CZ 3.88Å; L330-F366 HydrophobicContact CD1-CE1 3.81Å; L330-F366 HydrophobicContact CD1-CE2 3.96Å; L330-F366 HydrophobicContact CD1-CZ 3.44Å; L330-F366 VanDerWaalsContact CD1-CZ 3.44Å; P362-F366 HydrophobicContact CB-CD1 3.94Å; P362-F366 HydrophobicContact CG-CD1 3.94Å; P362-F366 HydrophobicContact CG-CE1 4.34Å; A363-F366 WeakPolarHBondContact O-CB 3.47Å; A363-F366 PolarHBondContact O-N 2.58Å; F366-S368 PolarHBondContact O-N 3.17Å; F366-T369 PolarHBondContact O-N 2.71Å; F366-L370 HydrophobicContact CE1-CD2 4.28Å; F366-L370 VanDerWaalsContact O-CB 3.32Å; F366-L370 WeakPolarHBondContact O-CB 3.49Å; F366-L370 PolarHBondContact O-N 3.21Å
367	L	78.1	Confident	78.3	Confident	37 Å²	37	60.9 Å²	60.9	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-43.8	174.1	-68.1	175.2	0	0	0	111.8	P322 P362 A363 T365 T369 L370 Y371	P322-L367 HydrophobicContact CG-CD2 3.49Å; P322-L367 VanDerWaalsContact CG-CD2 3.49Å; P362-L367 HydrophobicContact CG-CD2 3.79Å; P362-L367 HydrophobicContact CG-CG 4.15Å; A363-L367 PolarHBondContact O-N 3.02Å; T365-L367 VanDerWaalsContact C-N 3.32Å; T365-L367 PolarHBondContact O-N 3.17Å; L367-T369 PolarHBondContact O-N 2.69Å; L367-L370 PolarHBondContact O-N 3.09Å; L367-Y371 HydrophobicContact CB-CD2 4.39Å; L367-Y371 HydrophobicContact CB-CE2 4.13Å; L367-Y371 HydrophobicContact CD2-CE2 4.3Å; L367-Y371 WeakPolarHBondContact O-CD2 3.28Å; L367-Y371 PolarHBondContact O-N 3.48Å
368	S	77.8	Confident	77.6	Confident	81 Å²	81	57.3 Å²	57.3	57%	0.566	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-42.8	176.8	-162.8	0	0	0	0	111.9	K364 T365 F366 S372	K364-S368 WeakPolarHBondContact O-CB 3.45Å; K364-S368 PolarHBondContact O-N 3.24Å; T365-S368 WeakPolarHBondContact O-CB 3.44Å; T365-S368 PolarHBondContact O-N 2.67Å; T365-S368 VanDerWaalsContact O-N 3.11Å; F366-S368 PolarHBondContact O-N 3.17Å; S368-S372 WeakPolarHBondContact O-CB 3.41Å; S368-S372 PolarHBondContact O-N 3.34Å; S368-S372 VanDerWaalsContact O-N 3.12Å; S368-S372 PolarHBondContact O-OG 3.05Å
369	T	78.6	Confident	76.9	Confident	61 Å²	61	56 Å²	56	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-48.5	176.3	-50.6	0	0	0	0	111.4	F310 T365 F366 L367 Y371 S372 L373	F310-T369 HydrophobicContact CE1-CG2 4.3Å; F310-T369 HydrophobicContact CZ-CG2 3.69Å; T365-T369 PolarHBondContact O-N 3.3Å; T365-T369 PolarHBondContact O-OG1 2.77Å; F366-T369 PolarHBondContact O-N 2.71Å; L367-T369 PolarHBondContact O-N 2.69Å; T369-Y371 PolarHBondContact O-N 3.08Å; T369-S372 WeakPolarHBondContact CA-OG 3.49Å; T369-S372 PolarHBondContact O-N 3.32Å; T369-S372 VanDerWaalsContact O-N 3.09Å; T369-S372 PolarHBondContact O-OG 2.88Å; T369-L373 PolarHBondContact O-N 2.91Å
370	L	79.9	Confident	75.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-53.1	-50.9	176	171.6	63.1	0	0	0	111.5	F310 L319 P322 F366 L367 S372 L373 L388	F310-L370 HydrophobicContact CB-CD1 4.08Å; F310-L370 HydrophobicContact CD1-CB 3.87Å; F310-L370 HydrophobicContact CD1-CD1 3.78Å; F310-L370 HydrophobicContact CD1-CG 4.38Å; F310-L370 HydrophobicContact CE1-CB 3.99Å; F310-L370 HydrophobicContact CG-CD1 4.27Å; L319-L370 HydrophobicContact CB-CD1 4.39Å; L319-L370 HydrophobicContact CB-CD2 4.03Å; P322-L370 HydrophobicContact CG-CD2 4Å; F366-L370 HydrophobicContact CE1-CD2 4.28Å; F366-L370 VanDerWaalsContact O-CB 3.32Å; F366-L370 WeakPolarHBondContact O-CB 3.49Å; F366-L370 PolarHBondContact O-N 3.21Å; L367-L370 PolarHBondContact O-N 3.09Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 2.89Å; L370-L373 HydrophobicContact CD1-CD1 4.16Å; L370-L373 WeakPolarHBondContact O-CB 3.31Å; L370-L373 WeakPolarHBondContact O-CG 3.49Å; L370-L373 PolarHBondContact O-N 2.91Å; L370-L388 HydrophobicContact CD1-CD2 3.6Å; L370-L388 HydrophobicContact CG-CD2 3.89Å; L370-L388 VanDerWaalsContact O-CD2 3.28Å; L370-L388 WeakPolarHBondContact O-CD2 3.41Å
371	Y	78.3	Confident	74.4	Confident	104 Å²	104	64.5 Å²	64.5	41%	0.408	38%	0.381	S	S	.	.	H	α-helix	trans	-70.8	-18.7	-179.5	-65.6	-49.3	0	0	0	114.1	L367 T369 L388 G389	L367-Y371 HydrophobicContact CB-CD2 4.39Å; L367-Y371 HydrophobicContact CB-CE2 4.13Å; L367-Y371 HydrophobicContact CD2-CE2 4.3Å; L367-Y371 WeakPolarHBondContact O-CD2 3.28Å; L367-Y371 PolarHBondContact O-N 3.48Å; T369-Y371 PolarHBondContact O-N 3.08Å; Y371-L388 HydrophobicContact CD1-CD2 4.41Å; Y371-L388 HydrophobicContact CD1-CG 4.44Å; Y371-L388 PolarHBondContact O-N 3.49Å; Y371-G389 PolarHBondContact O-N 2.91Å
372	S	77.8	Confident	74	Confident	51 Å²	51	61.4 Å²	61.4	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-82.9	-10.7	176.6	72.1	0	0	0	0	114.6	S368 T369 L370	S368-S372 WeakPolarHBondContact O-CB 3.41Å; S368-S372 PolarHBondContact O-N 3.34Å; S368-S372 VanDerWaalsContact O-N 3.12Å; S368-S372 PolarHBondContact O-OG 3.05Å; T369-S372 WeakPolarHBondContact CA-OG 3.49Å; T369-S372 PolarHBondContact O-N 3.32Å; T369-S372 VanDerWaalsContact O-N 3.09Å; T369-S372 PolarHBondContact O-OG 2.88Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 2.89Å
373	L	77.1	Confident	72.9	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	38%	0.382	C	S	.	.			trans	-57.3	125.7	-177.9	-70	174.6	0	0	0	112	L302 F310 L318 T369 L370 L375 Q387 L388	L302-L373 HydrophobicContact CD1-CD2 4.3Å; F310-L373 HydrophobicContact CB-CD1 4.11Å; F310-L373 HydrophobicContact CD1-CD1 4.35Å; F310-L373 HydrophobicContact CD2-CD1 4.01Å; F310-L373 HydrophobicContact CD2-CD2 4.42Å; F310-L373 HydrophobicContact CE2-CD2 4.36Å; F310-L373 HydrophobicContact CG-CD1 3.89Å; L318-L373 HydrophobicContact CD2-CD1 4.32Å; T369-L373 PolarHBondContact O-N 2.91Å; L370-L373 HydrophobicContact CD1-CD1 4.16Å; L370-L373 WeakPolarHBondContact O-CB 3.31Å; L370-L373 WeakPolarHBondContact O-CG 3.49Å; L370-L373 PolarHBondContact O-N 2.91Å; L373-L375 PolarHBondContact O-N 3.43Å; L373-Q387 CarbonylContact O-C 3.5Å; L373-Q387 WeakPolarHBondContact O-CA 3.12Å; L373-L388 HydrophobicContact CB-CB 4.49Å; L373-L388 PolarHBondContact O-N 3.39Å
374	P	74.1	Confident	72.3	Confident	33 Å²	33	65.8 Å²	65.8	21%	0.214	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.1	178.5	30	-33.3	0	0	0	111.3	A299 E300	A299-P374 PolarHBondContact N-O 2.77Å; E300-P374 HydrophobicContact CG-CG 4.47Å
375	L	74.6	Confident	72	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.9	172.2	-58.3	-175.1	0	0	0	110.5	L293 L297 I298 L318 L373 H385 V386 L388 F391	L293-L375 HydrophobicContact CD1-CD1 3.84Å; L297-L375 HydrophobicContact CB-CD2 4.24Å; L297-L375 CarbonylContact O-C 3.55Å; L297-L375 VanDerWaalsContact O-CA 3.24Å; L297-L375 WeakPolarHBondContact O-CA 3.45Å; I298-L375 HydrophobicContact CG1-CD2 3.91Å; L318-L375 HydrophobicContact CD1-CD2 3.95Å; L373-L375 PolarHBondContact O-N 3.43Å; L375-H385 WeakPolarHBondContact O-CA 3.45Å; L375-V386 PolarHBondContact N-O 3.43Å; L375-V386 PolarHBondContact O-N 3.12Å; L375-L388 HydrophobicContact CD1-CB 4.42Å; L375-L388 HydrophobicContact CD1-CD1 3.78Å; L375-F391 HydrophobicContact CB-CD2 3.63Å; L375-F391 HydrophobicContact CB-CE2 3.63Å; L375-F391 HydrophobicContact CB-CG 4.5Å; L375-F391 HydrophobicContact CD1-CB 4.41Å; L375-F391 HydrophobicContact CD1-CD1 4.24Å; L375-F391 HydrophobicContact CD1-CD2 3.87Å; L375-F391 HydrophobicContact CD1-CE1 4.47Å; L375-F391 HydrophobicContact CD1-CE2 4.12Å; L375-F391 HydrophobicContact CD1-CG 3.93Å; L375-F391 HydrophobicContact CD1-CZ 4.41Å; L375-F391 HydrophobicContact CG-CD2 4.32Å
376	L	72.3	Confident	71.8	Confident	69 Å²	69	58.7 Å²	58.7	36%	0.361	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.8	166.3	-99.9	166.3	0	0	0	109.8	L297 A299 P378 G383	L297-L376 PolarHBondContact O-N 3.16Å; A299-L376 HydrophobicContact CB-CB 4.49Å; A299-L376 HydrophobicContact CB-CD1 4.16Å; A299-L376 HydrophobicContact CB-CG 3.9Å; L376-P378 WeakPolarHBondContact O-CD 3.35Å; L376-G383 WeakPolarHBondContact CD2-O 3.1Å
377	C	73.1	Confident	71.6	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.054	36%	0.361	C	S	.	.			trans	-68.8	123.6	170.4	-173.7	0	0	0	0	110.6	C379 C382 E384 H394	C377-C379 PolarHBondContact O-N 3.45Å; C377-C382 HydrophobicContact CB-CB 4.31Å; C377-E384 PolarHBondContact N-O 2.82Å; C377-H394 WeakPolarHBondContact CB-NE2 3.42Å; C377-H394 PolarHBondContact SG-NE2 3.23Å
378	P	60.5	Low	71.5	Confident	79 Å²	79	60.9 Å²	60.9	51%	0.513	36%	0.358	S	S	.	.			trans	-80.2	12.2	-179	34.3	-37.2	0	0	0	113.9	L297 L376	L297-P378 HydrophobicContact CD2-CB 4.03Å; L297-P378 HydrophobicContact CD2-CG 4.14Å; L376-P378 WeakPolarHBondContact O-CD 3.35Å
379	C	62.3	Low	70.9	Confident	45 Å²	45	59.2 Å²	59.2	30%	0.304	35%	0.353	S	S	.	.	S	Bend	trans	-79.9	126.8	177.5	-168	0	0	0	0	110.6	C377 G381 C382	C377-C379 PolarHBondContact O-N 3.45Å; C379-G381 PolarHBondContact O-N 3.08Å; C379-G381 VanDerWaalsContact O-N 3.12Å; C379-C382 HydrophobicContact CB-CB 3.96Å; C379-C382 PolarHBondContact O-N 3.18Å; C379-C382 VanDerWaalsContact O-N 3.11Å
380	E	52.9	Low	70.5	Confident	188 Å²	188	61.3 Å²	61.3	88%	0.879	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	115.4	176.6	-68.1	-171.2	148.3	0	0	110.2
381	G	58.8	Low	70	Confident	88 Å²	88	61.8 Å²	61.8	91%	0.907	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-12	-179.9	0	0	0	0	0	115.8	C379	C379-G381 PolarHBondContact O-N 3.08Å; C379-G381 VanDerWaalsContact O-N 3.12Å
382	C	71.4	Confident	69.3	Low	34 Å²	34	62 Å²	62	23%	0.23	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-61.2	178.8	176.3	0	0	0	0	112.9	C377 C379 E384 H394 H398	C377-C382 HydrophobicContact CB-CB 4.31Å; C379-C382 HydrophobicContact CB-CB 3.96Å; C379-C382 PolarHBondContact O-N 3.18Å; C379-C382 VanDerWaalsContact O-N 3.11Å; C382-E384 PolarHBondContact O-N 3.41Å; C382-H394 VanDerWaalsContact SG-CE1 3.53Å; C382-H398 VanDerWaalsContact SG-CE1 3.54Å
383	G	61.1	Low	68.7	Low	47 Å²	47	62.2 Å²	62.2	49%	0.485	37%	0.371	S	S	.	.			trans	65	1.9	176.2	0	0	0	0	0	117.2	L376	L376-G383 WeakPolarHBondContact CD2-O 3.1Å
384	E	68.9	Low	68.5	Low	113 Å²	113	62.9 Å²	62.9	53%	0.528	37%	0.374	S	S	.	.			trans	-71.5	150.1	-176.7	-67	-163.8	139.9	0	0	113.8	C377 C382 V386 H394	C377-E384 PolarHBondContact N-O 2.82Å; C382-E384 PolarHBondContact O-N 3.41Å; E384-V386 HydrophobicContact CB-CG2 4.18Å; E384-H394 IonicContact OE2-CE1 3.27Å; E384-H394 PolarHBondContact OE2-CE1 2.82Å; E384-H394 IonicContact OE2-ND1 2.77Å; E384-H394 PolarHBondContact OE2-ND1 3.1Å
385	H	73.6	Confident	68	Low	128 Å²	128	62.3 Å²	62.3	59%	0.593	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.7	170.9	-62.1	129.4	0	0	0	110.4	A299 L375	A299-H385 WeakPolarHBondContact CB-CD2 3.45Å; L375-H385 WeakPolarHBondContact O-CA 3.45Å
386	V	74.6	Confident	67.4	Low	16 Å²	16	65.8 Å²	65.8	10%	0.097	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.1	-174.5	-173.1	0	0	0	0	110.6	L375 E384 L390 F391 H394	L375-V386 PolarHBondContact N-O 3.43Å; L375-V386 PolarHBondContact O-N 3.12Å; E384-V386 HydrophobicContact CB-CG2 4.18Å; V386-L390 HydrophobicContact CG1-CB 4.08Å; V386-F391 HydrophobicContact CB-CD2 4.22Å; V386-F391 HydrophobicContact CG1-CB 4.45Å; V386-H394 HydrophobicContact CG1-CB 3.92Å; V386-H394 HydrophobicContact CG2-CB 4.24Å
387	Q	78.1	Confident	66.9	Low	103 Å²	103	68 Å²	68	48%	0.481	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	137.5	177.8	-64.6	-173.2	-19.2	0	0	111.4	L373 G389 L390 F391	L373-Q387 CarbonylContact O-C 3.5Å; L373-Q387 WeakPolarHBondContact O-CA 3.12Å; Q387-G389 PolarHBondContact O-N 3.17Å; Q387-L390 CarbonylContact O-C 3.5Å; Q387-L390 WeakPolarHBondContact O-CA 3.3Å; Q387-L390 PolarHBondContact O-N 2.79Å; Q387-F391 PolarHBondContact O-N 3.13Å
388	L	75.1	Confident	66.4	Low	22 Å²	22	70.8 Å²	70.8	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-47.7	-37.5	-178.8	174.4	66.9	0	0	0	113.9	L293 L370 Y371 L373 L375 L390	L293-L388 HydrophobicContact CD1-CD1 3.71Å; L370-L388 HydrophobicContact CD1-CD2 3.6Å; L370-L388 HydrophobicContact CG-CD2 3.89Å; L370-L388 VanDerWaalsContact O-CD2 3.28Å; L370-L388 WeakPolarHBondContact O-CD2 3.41Å; Y371-L388 HydrophobicContact CD1-CD2 4.41Å; Y371-L388 HydrophobicContact CD1-CG 4.44Å; Y371-L388 PolarHBondContact O-N 3.49Å; L373-L388 HydrophobicContact CB-CB 4.49Å; L373-L388 PolarHBondContact O-N 3.39Å; L375-L388 HydrophobicContact CD1-CB 4.42Å; L375-L388 HydrophobicContact CD1-CD1 3.78Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 3.44Å
389	G	65.8	Low	66	Low	46 Å²	46	72.3 Å²	72.3	47%	0.474	41%	0.414	S	S	.	.	H	α-helix	trans	-66.9	-29	177	0	0	0	0	0	114.6	Y371 Q387	Y371-G389 PolarHBondContact O-N 2.91Å; Q387-G389 PolarHBondContact O-N 3.17Å
390	L	70.4	Confident	65.4	Low	106 Å²	106	78.5 Å²	78.5	56%	0.555	44%	0.436	S	S	*	.	H	α-helix	trans	-101.6	-16.9	-180	-62.2	177.1	0	0	0	113.1	V386 Q387 L388 K392 A393 H394	V386-L390 HydrophobicContact CG1-CB 4.08Å; Q387-L390 CarbonylContact O-C 3.5Å; Q387-L390 WeakPolarHBondContact O-CA 3.3Å; Q387-L390 PolarHBondContact O-N 2.79Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 3.44Å; L390-K392 PolarHBondContact O-N 2.99Å; L390-K392 VanDerWaalsContact O-N 3.14Å; L390-A393 WeakPolarHBondContact O-CA 3.28Å; L390-A393 WeakPolarHBondContact O-CB 3.37Å; L390-A393 PolarHBondContact O-N 3.33Å; L390-H394 PolarHBondContact O-N 3.08Å
391	F	69.8	Low	64.9	Low	9 Å²	9	77.2 Å²	77.2	4%	0.039	43%	0.43	C	S	.	.	H	α-helix	trans	-50.5	-41.7	-177.3	-169.2	-96.2	0	0	0	112.7	L293 L297 L375 V386 Q387 A393 H394 C395	L293-F391 HydrophobicContact CD1-CD1 3.81Å; L293-F391 HydrophobicContact CD1-CE1 4.04Å; L293-F391 HydrophobicContact CD2-CE1 4.03Å; L297-F391 HydrophobicContact CD1-CZ 4.43Å; L375-F391 HydrophobicContact CB-CD2 3.63Å; L375-F391 HydrophobicContact CB-CE2 3.63Å; L375-F391 HydrophobicContact CB-CG 4.5Å; L375-F391 HydrophobicContact CD1-CB 4.41Å; L375-F391 HydrophobicContact CD1-CD1 4.24Å; L375-F391 HydrophobicContact CD1-CD2 3.87Å; L375-F391 HydrophobicContact CD1-CE1 4.47Å; L375-F391 HydrophobicContact CD1-CE2 4.12Å; L375-F391 HydrophobicContact CD1-CG 3.93Å; L375-F391 HydrophobicContact CD1-CZ 4.41Å; L375-F391 HydrophobicContact CG-CD2 4.32Å; V386-F391 HydrophobicContact CB-CD2 4.22Å; V386-F391 HydrophobicContact CG1-CB 4.45Å; Q387-F391 PolarHBondContact O-N 3.13Å; F391-A393 VanDerWaalsContact C-N 3.32Å; F391-A393 PolarHBondContact O-N 3.49Å; F391-H394 PolarHBondContact O-N 3.12Å; F391-C395 PolarHBondContact O-N 3.05Å; F391-C395 PolarHBondContact O-SG 2.7Å
392	K	63.5	Low	64.2	Low	109 Å²	109	79.7 Å²	79.7	47%	0.474	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-28.6	177.2	-68.1	-173.4	178	-178.2	0	114.1	L390 L396	L390-K392 PolarHBondContact O-N 2.99Å; L390-K392 VanDerWaalsContact O-N 3.14Å; K392-L396 WeakPolarHBondContact O-CG 3.47Å
393	A	65	Low	63.1	Low	55 Å²	55	81.2 Å²	81.2	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-80	-41.8	174.7	0	0	0	0	0	111.1	L390 F391 C395 L396 N397	L390-A393 WeakPolarHBondContact O-CA 3.28Å; L390-A393 WeakPolarHBondContact O-CB 3.37Å; L390-A393 PolarHBondContact O-N 3.33Å; F391-A393 VanDerWaalsContact C-N 3.32Å; F391-A393 PolarHBondContact O-N 3.49Å; A393-C395 VanDerWaalsContact C-N 3.33Å; A393-C395 PolarHBondContact O-N 2.92Å; A393-L396 WeakPolarHBondContact O-CB 3.45Å; A393-L396 PolarHBondContact O-N 3.28Å; A393-L396 VanDerWaalsContact O-N 3.07Å; A393-N397 PolarHBondContact O-N 3.1Å
394	H	72	Confident	61.9	Low	23 Å²	23	85.5 Å²	85.5	11%	0.106	47%	0.468	C	S	.	.	H	α-helix	trans	-57.8	-43.6	173.3	170	96.7	0	0	0	111.8	C377 C382 E384 V386 L390 F391 L396 N397 H398	C377-H394 WeakPolarHBondContact CB-NE2 3.42Å; C377-H394 PolarHBondContact SG-NE2 3.23Å; C382-H394 VanDerWaalsContact SG-CE1 3.53Å; E384-H394 IonicContact OE2-CE1 3.27Å; E384-H394 PolarHBondContact OE2-CE1 2.82Å; E384-H394 IonicContact OE2-ND1 2.77Å; E384-H394 PolarHBondContact OE2-ND1 3.1Å; V386-H394 HydrophobicContact CG1-CB 3.92Å; V386-H394 HydrophobicContact CG2-CB 4.24Å; L390-H394 PolarHBondContact O-N 3.08Å; F391-H394 PolarHBondContact O-N 3.12Å; H394-L396 PolarHBondContact O-N 2.91Å; H394-N397 PolarHBondContact O-N 3.02Å; H394-N397 VanDerWaalsContact O-N 3.11Å; H394-H398 AromaticContact CD2-CD2 3.87Å; H394-H398 AromaticContact CD2-NE2 3.57Å; H394-H398 AromaticContact CE1-NE2 3.34Å; H394-H398 PolarHBondContact CE1-NE2 2.86Å; H394-H398 VanDerWaalsContact CE1-NE2 3.34Å; H394-H398 AromaticContact NE2-CD2 3.72Å; H394-H398 AromaticContact NE2-NE2 2.95Å; H394-H398 PolarHBondContact NE2-NE2 3.34Å; H394-H398 PolarHBondContact O-CD2 2.96Å; H394-H398 VanDerWaalsContact O-CD2 3.24Å
395	C	63.4	Low	60.7	Low	20 Å²	20	87.2 Å²	87.2	14%	0.135	48%	0.481	C	S	.	.	H	α-helix	trans	-60.4	-26.6	175.2	-67.7	0	0	0	0	114.3	F391 A393 F411	F391-C395 PolarHBondContact O-N 3.05Å; F391-C395 PolarHBondContact O-SG 2.7Å; A393-C395 VanDerWaalsContact C-N 3.33Å; A393-C395 PolarHBondContact O-N 2.92Å; C395-F411 HydrophobicContact CB-CD1 4.35Å; C395-F411 HydrophobicContact CB-CE1 4.28Å
396	L	62.5	Low	59.1	Low	74 Å²	74	89.7 Å²	89.7	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-78.6	-28.7	176.1	-70	166.4	0	0	0	112.3	K392 A393 H394 H398 E399 F400 L415	K392-L396 WeakPolarHBondContact O-CG 3.47Å; A393-L396 WeakPolarHBondContact O-CB 3.45Å; A393-L396 PolarHBondContact O-N 3.28Å; A393-L396 VanDerWaalsContact O-N 3.07Å; H394-L396 PolarHBondContact O-N 2.91Å; L396-H398 VanDerWaalsContact C-N 3.26Å; L396-H398 PolarHBondContact O-N 3.04Å; L396-E399 PolarHBondContact O-N 2.87Å; L396-E399 VanDerWaalsContact O-N 3.15Å; L396-F400 WeakPolarHBondContact O-CD2 3.28Å; L396-L415 HydrophobicContact CD2-CD2 3.82Å
397	N	61.5	Low	57.4	Low	114 Å²	114	97.8 Å²	97.8	61%	0.61	53%	0.527	S	S	*	.	H	α-helix	trans	-65.9	-31	176.6	-68.4	-5	0	0	0	111.9	A393 H394 E399 F400	A393-N397 PolarHBondContact O-N 3.1Å; H394-N397 PolarHBondContact O-N 3.02Å; H394-N397 VanDerWaalsContact O-N 3.11Å; N397-E399 PolarHBondContact O-N 2.92Å; N397-F400 PolarHBondContact O-N 2.79Å
398	H	63	Low	55.5	Low	68 Å²	68	96.8 Å²	96.8	32%	0.315	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15	174.3	-70.3	-72.2	0	0	0	113.9	C382 H394 L396 F400	C382-H398 VanDerWaalsContact SG-CE1 3.54Å; H394-H398 AromaticContact CD2-CD2 3.87Å; H394-H398 AromaticContact CD2-NE2 3.57Å; H394-H398 AromaticContact CE1-NE2 3.34Å; H394-H398 PolarHBondContact CE1-NE2 2.86Å; H394-H398 VanDerWaalsContact CE1-NE2 3.34Å; H394-H398 AromaticContact NE2-CD2 3.72Å; H394-H398 AromaticContact NE2-NE2 2.95Å; H394-H398 PolarHBondContact NE2-NE2 3.34Å; H394-H398 PolarHBondContact O-CD2 2.96Å; H394-H398 VanDerWaalsContact O-CD2 3.24Å; L396-H398 VanDerWaalsContact C-N 3.26Å; L396-H398 PolarHBondContact O-N 3.04Å; H398-F400 VanDerWaalsContact C-N 3.28Å
399	E	52.9	Low	53.9	Low	111 Å²	111	101.3 Å²	101.3	52%	0.519	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-4.6	172.3	-61.1	-166.4	132.2	0	0	113.2	L396 N397	L396-E399 PolarHBondContact O-N 2.87Å; L396-E399 VanDerWaalsContact O-N 3.15Å; N397-E399 PolarHBondContact O-N 2.92Å
400	F	49.2	Very low	52.9	Low	174 Å²	174	105.2 Å²	105.2	76%	0.763	57%	0.57	S	S	*	*	S	Bend	trans	-113.2	-2.9	-174.6	-75.9	-86.5	0	0	0	115.8	L396 N397 H398 P402	L396-F400 WeakPolarHBondContact O-CD2 3.28Å; N397-F400 PolarHBondContact O-N 2.79Å; H398-F400 VanDerWaalsContact C-N 3.28Å; F400-P402 WeakPolarHBondContact O-CD 3.42Å
401	E	42.1	Very low	51.8	Low	162 Å²	162	103.7 Å²	103.7	76%	0.757	56%	0.559	S	S	*	*			trans	-80.3	117.5	174.1	-74.1	-126.3	135.7	0	0	112.1	G403	E401-G403 VanDerWaalsContact C-N 3.31Å; E401-G403 PolarHBondContact O-N 3.25Å
402	P	43.7	Very low	50.6	Low	139 Å²	139	110.8 Å²	110.8	90%	0.903	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	64.5	-174.2	35.9	-36	0	0	0	111.9	F400	F400-P402 WeakPolarHBondContact O-CD 3.42Å
403	G	48.2	Very low	49.8	Very low	67 Å²	67	109.9 Å²	109.9	69%	0.691	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	-45.6	-166.8	0	0	0	0	0	118.5	E401	E401-G403 VanDerWaalsContact C-N 3.31Å; E401-G403 PolarHBondContact O-N 3.25Å
404	T	35.9	Very low	49.1	Very low	136 Å²	136	111.5 Å²	111.5	83%	0.834	59%	0.588	S	S	*	*			trans	-132.8	117.5	-165.2	53.6	0	0	0	0	114.4	K406	T404-K406 PolarHBondContact O-N 2.72Å; T404-K406 VanDerWaalsContact O-N 3.09Å
405	N	43.6	Very low	47.8	Very low	150 Å²	150	115.5 Å²	115.5	80%	0.802	61%	0.609	S	S	*	*			trans	-89	73.2	-174.2	-159	-5.3	0	0	0	112.4
406	K	40	Very low	47.2	Very low	179 Å²	179	122.8 Å²	122.8	78%	0.778	65%	0.646	S	S	*	*			trans	-137.2	98.5	168.5	-78.8	-174.7	179.9	175	0	110.4	T404 S408	T404-K406 PolarHBondContact O-N 2.72Å; T404-K406 VanDerWaalsContact O-N 3.09Å; K406-S408 PolarHBondContact O-N 2.76Å
407	H	39.9	Very low	46.7	Very low	187 Å²	187	124.8 Å²	124.8	87%	0.866	66%	0.662	S	S	*	*			trans	-66.3	98.7	173.4	-75.2	-67.7	0	0	0	111.8
408	S	37.6	Very low	46.6	Very low	82 Å²	82	126.4 Å²	126.4	57%	0.573	67%	0.67	S	S	*	*			trans	-79	114.3	163.3	-177.6	0	0	0	0	109.5	K406 H410	K406-S408 PolarHBondContact O-N 2.76Å; S408-H410 PolarHBondContact O-N 2.76Å
409	S	41.4	Very low	46.8	Very low	117 Å²	117	133 Å²	133	82%	0.818	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	14.5	-175.7	50.9	0	0	0	0	114.9
410	H	44.8	Very low	47.6	Very low	127 Å²	127	130.4 Å²	130.4	59%	0.588	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-12.5	-169	-150.3	-58	0	0	0	114.9	S408	S408-H410 PolarHBondContact O-N 2.76Å
411	F	47.4	Very low	48.9	Very low	74 Å²	74	125.5 Å²	125.5	33%	0.325	70%	0.699	S	S	.	*	S	Bend	trans	-95.3	-17.9	-174	-77.6	-84.4	0	0	0	115.2	C395 N413	C395-F411 HydrophobicContact CB-CD1 4.35Å; C395-F411 HydrophobicContact CB-CE1 4.28Å; F411-N413 PolarHBondContact O-N 2.83Å
412	Q	45.1	Very low	50.5	Low	158 Å²	158	127.1 Å²	127.1	74%	0.738	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-69.4	-6.3	-166.4	-130.1	172.4	18.5	0	0	116.1
413	N	47.4	Very low	52.3	Low	90 Å²	90	125.8 Å²	125.8	48%	0.481	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-83.9	-6.2	-171.6	-67.6	-17.9	0	0	0	115.3	N290 F411	N290-N413 PolarHBondContact O-ND2 2.87Å; F411-N413 PolarHBondContact O-N 2.83Å
414	Y	48.8	Very low	54.1	Low	89 Å²	89	133 Å²	133	35%	0.349	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-108.4	7.2	-164.1	-69.1	-75.3	0	0	0	116.4	N290	N290-Y414 PolarHBondContact O-OH 2.7Å
415	L	45.9	Very low	56.6	Low	107 Å²	107	130 Å²	130	56%	0.56	67%	0.673	S	S	*	*	S	Bend	trans	-84.9	146	179.4	-77.6	168.1	0	0	0	114	L396 T417	L396-L415 HydrophobicContact CD2-CD2 3.82Å; L415-T417 PolarHBondContact O-N 2.87Å
416	L	49.9	Very low	58.9	Low	173 Å²	173	129.2 Å²	129.2	91%	0.906	66%	0.664	S	S	*	*			trans	-80.5	103.8	-170.1	-160.5	138.7	0	0	0	111.8	N418	L416-N418 PolarHBondContact O-N 2.94Å
417	T	52.5	Low	61.3	Low	117 Å²	117	123.7 Å²	123.7	72%	0.718	64%	0.643	S	S	*	*			trans	-70	126.2	-175.3	41.6	0	0	0	0	113.1	L415 K419	L415-T417 PolarHBondContact O-N 2.87Å; T417-K419 PolarHBondContact O-N 2.69Å; T417-K419 VanDerWaalsContact O-N 3.11Å
418	N	58.6	Low	63.8	Low	148 Å²	148	121.5 Å²	121.5	79%	0.791	64%	0.637	S	S	*	*			trans	-62.1	112.5	165.4	179.6	-7.9	0	0	0	108.8	L416 G420	L416-N418 PolarHBondContact O-N 2.94Å; N418-G420 PolarHBondContact O-N 3.04Å; N418-G420 PolarHBondContact OD1-N 3.39Å
419	K	68.2	Low	66.3	Low	206 Å²	206	121 Å²	121	90%	0.896	63%	0.633	S	S	*	*			trans	-63	-7.2	-179.2	-61	-176	-178.9	-179.5	0	113.9	T417	T417-K419 PolarHBondContact O-N 2.69Å; T417-K419 VanDerWaalsContact O-N 3.11Å
420	G	70.2	Confident	68.8	Low	57 Å²	57	116.6 Å²	116.6	59%	0.588	60%	0.6	S	S	*	*			trans	71.3	-175.4	-178.8	0	0	0	0	0	112.6	N418	N418-G420 PolarHBondContact O-N 3.04Å; N418-G420 PolarHBondContact OD1-N 3.39Å
421	G	76.4	Confident	71.1	Confident	70 Å²	70	115.5 Å²	115.5	72%	0.722	60%	0.602	S	S	*	*			trans	152.8	146.4	-178.8	0	0	0	0	0	110.6
422	R	75.3	Confident	73.2	Confident	197 Å²	197	122.5 Å²	122.5	74%	0.743	63%	0.627	S	S	*	*			trans	-68.4	129.2	175.3	-173.4	178.6	-177.9	-168.6	-1.3	109.2	R424	R422-R424 PolarHBondContact O-N 3.3Å
423	P	82.1	Confident	75.4	Confident	110 Å²	110	125.7 Å²	125.7	71%	0.714	63%	0.632	S	S	*	*			trans	-50.7	135.9	175.9	-29.8	36.1	0	0	0	112.3	Q425	P423-Q425 PolarHBondContact O-N 2.65Å
424	R	84.9	Confident	77.6	Confident	219 Å²	219	123 Å²	123	83%	0.826	62%	0.622	S	S	*	*			trans	-65.1	108.4	-178.8	-73.6	-175.1	173.2	-161.1	-1	109.6	R422	R422-R424 PolarHBondContact O-N 3.3Å
425	Q	88.1	Confident	79.6	Confident	74 Å²	74	121.2 Å²	121.2	35%	0.346	62%	0.617	S	S	.	*			trans	-71.8	150.1	176.5	-55.3	-174.1	-98.1	0	0	111.4	P423 L430	P423-Q425 PolarHBondContact O-N 2.65Å; Q425-L430 HydrophobicContact CB-CD2 3.89Å; Q425-L430 HydrophobicContact CB-CG 4.38Å; Q425-L430 HydrophobicContact CG-CD2 4.42Å
426	H	91.4	Very high	81.9	Confident	132 Å²	132	124.2 Å²	124.2	61%	0.611	63%	0.625	S	S	*	*			trans	-62.6	142.3	174.5	-172.2	-117.4	0	0	0	111.5	L428 S429	H426-L428 VanDerWaalsContact C-N 3.29Å; H426-L428 PolarHBondContact O-N 2.86Å; H426-S429 WeakPolarHBondContact O-CB 3.48Å; H426-S429 PolarHBondContact O-N 3.38Å; H426-S429 PolarHBondContact O-OG 3.27Å
427	L	91.4	Very high	83.9	Confident	64 Å²	64	122.9 Å²	122.9	34%	0.335	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-58.9	-37.1	-169.6	-176.9	64.2	0	0	0	113.4	S429 L430 Q435 L439	L427-S429 VanDerWaalsContact C-N 3.27Å; L427-S429 PolarHBondContact O-N 3.39Å; L427-L430 HydrophobicContact CD1-CD1 4.46Å; L427-L430 PolarHBondContact O-N 3.01Å; L427-Q435 HydrophobicContact CD1-CB 4.4Å; L427-Q435 HydrophobicContact CD1-CG 4.09Å; L427-Q435 PolarHBondContact O-NE2 3.4Å; L427-L439 HydrophobicContact CD1-CD1 4.3Å; L427-L439 HydrophobicContact CD1-CD2 4.34Å; L427-L439 HydrophobicContact CD1-CG 4.21Å; L427-L439 HydrophobicContact CD2-CD1 4.26Å; L427-L439 HydrophobicContact CD2-CD2 4.13Å
428	L	91.4	Very high	85.7	Confident	141 Å²	141	123.2 Å²	123.2	74%	0.738	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-71.9	-17.7	178.5	-55.4	-178.6	0	0	0	113.7	H426	H426-L428 VanDerWaalsContact C-N 3.29Å; H426-L428 PolarHBondContact O-N 2.86Å
429	S	91.5	Very high	87.4	Confident	70 Å²	70	119.5 Å²	119.5	49%	0.49	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-89.3	0.8	177.3	72.9	0	0	0	0	114	H426 L427	H426-S429 WeakPolarHBondContact O-CB 3.48Å; H426-S429 PolarHBondContact O-N 3.38Å; H426-S429 PolarHBondContact O-OG 3.27Å; L427-S429 VanDerWaalsContact C-N 3.27Å; L427-S429 PolarHBondContact O-N 3.39Å
430	L	93.3	Very high	88.6	Confident	26 Å²	26	114.7 Å²	114.7	14%	0.136	56%	0.561	C	S	.	*	S	Bend	trans	-95.9	148.1	-177.6	-70.4	178.7	0	0	0	111.9	Q425 L427 A434 Q435 R438	Q425-L430 HydrophobicContact CB-CD2 3.89Å; Q425-L430 HydrophobicContact CB-CG 4.38Å; Q425-L430 HydrophobicContact CG-CD2 4.42Å; L427-L430 HydrophobicContact CD1-CD1 4.46Å; L427-L430 PolarHBondContact O-N 3.01Å; L430-A434 HydrophobicContact CB-CB 4.06Å; L430-A434 HydrophobicContact CD1-CB 4.38Å; L430-A434 HydrophobicContact CD2-CB 4.04Å; L430-A434 HydrophobicContact CG-CB 4.4Å; L430-Q435 HydrophobicContact CB-CG 3.72Å; L430-Q435 PolarHBondContact O-NE2 2.79Å; L430-R438 HydrophobicContact CD1-CG 4.02Å
431	T	93.2	Very high	89.7	Confident	104 Å²	104	116.3 Å²	116.3	64%	0.638	56%	0.556	S	S	*	*			trans	-69.1	154.6	170.3	65.9	0	0	0	0	111.2	R433 A434 Q435	T431-R433 PolarHBondContact O-N 3.39Å; T431-A434 WeakPolarHBondContact O-CA 3.25Å; T431-A434 PolarHBondContact O-N 2.85Å; T431-Q435 PolarHBondContact O-N 3.03Å
432	R	91.8	Very high	90.5	Very high	221 Å²	221	117.5 Å²	117.5	83%	0.834	55%	0.546	S	S	*	.	H	α-helix	trans	-49.8	-34.2	-179.8	-69.4	-170	179.8	-155.5	0.2	114.2	K436	R432-K436 VanDerWaalsContact O-CB 3.3Å; R432-K436 WeakPolarHBondContact O-CB 3.22Å; R432-K436 PolarHBondContact O-N 3.33Å
433	R	91.9	Very high	91.4	Very high	225 Å²	225	113.8 Å²	113.8	85%	0.849	54%	0.535	S	S	*	.	H	α-helix	trans	-69.9	-39.5	176	-175.8	171.9	178.4	148.5	0.5	112.5	T431 H437	T431-R433 PolarHBondContact O-N 3.39Å; R433-H437 PolarHBondContact O-N 2.89Å; R433-H437 VanDerWaalsContact O-N 3.13Å
434	A	92	Very high	91.9	Very high	33 Å²	33	112.7 Å²	112.7	27%	0.273	52%	0.523	S	S	.	.	H	α-helix	trans	-73.1	-36.5	176	0	0	0	0	0	111.8	L430 T431 H437 R438	L430-A434 HydrophobicContact CB-CB 4.06Å; L430-A434 HydrophobicContact CD1-CB 4.38Å; L430-A434 HydrophobicContact CD2-CB 4.04Å; L430-A434 HydrophobicContact CG-CB 4.4Å; T431-A434 WeakPolarHBondContact O-CA 3.25Å; T431-A434 PolarHBondContact O-N 2.85Å; A434-H437 PolarHBondContact O-N 3.02Å; A434-R438 WeakPolarHBondContact O-CB 3.41Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 2.89Å
435	Q	92.4	Very high	92.3	Very high	51 Å²	51	108.4 Å²	108.4	24%	0.238	51%	0.513	C	S	.	.	H	α-helix	trans	-60.7	-50.9	170.2	-66.1	174.5	-37.2	0	0	111.1	L427 L430 T431 H437 R438 L439	L427-Q435 HydrophobicContact CD1-CB 4.4Å; L427-Q435 HydrophobicContact CD1-CG 4.09Å; L427-Q435 PolarHBondContact O-NE2 3.4Å; L430-Q435 HydrophobicContact CB-CG 3.72Å; L430-Q435 PolarHBondContact O-NE2 2.79Å; T431-Q435 PolarHBondContact O-N 3.03Å; Q435-H437 PolarHBondContact O-N 3.4Å; Q435-R438 PolarHBondContact O-N 2.89Å; Q435-L439 WeakPolarHBondContact O-CB 3.39Å; Q435-L439 PolarHBondContact O-N 3.04Å
436	K	92.4	Very high	92.6	Very high	171 Å²	171	106.2 Å²	106.2	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-56.1	-35.1	175.9	-178.6	174.8	177.9	177.3	0	112.9	R432 K440	R432-K436 VanDerWaalsContact O-CB 3.3Å; R432-K436 WeakPolarHBondContact O-CB 3.22Å; R432-K436 PolarHBondContact O-N 3.33Å; K436-K440 WeakPolarHBondContact O-CA 3.41Å; K436-K440 PolarHBondContact O-N 3.07Å
437	H	92.4	Very high	92.7	Very high	145 Å²	145	104 Å²	104	67%	0.671	49%	0.493	S	S	*	.	H	α-helix	trans	-74.1	-41.2	174.2	-171.1	-44.3	0	0	0	112.4	R433 A434 Q435 L439 K440	R433-H437 PolarHBondContact O-N 2.89Å; R433-H437 VanDerWaalsContact O-N 3.13Å; A434-H437 PolarHBondContact O-N 3.02Å; Q435-H437 PolarHBondContact O-N 3.4Å; H437-L439 VanDerWaalsContact C-N 3.32Å; H437-L439 PolarHBondContact O-N 3.07Å; H437-K440 PolarHBondContact O-N 3.09Å
438	R	91.2	Very high	92.8	Very high	124 Å²	124	104.9 Å²	104.9	47%	0.468	50%	0.5	S	S	.	.	H	α-helix	trans	-72.5	-23.5	-178.9	-77.8	-65.3	-57.3	-85.6	-6.9	114	L430 A434 Q435	L430-R438 HydrophobicContact CD1-CG 4.02Å; A434-R438 WeakPolarHBondContact O-CB 3.41Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 2.89Å; Q435-R438 PolarHBondContact O-N 2.89Å
439	L	94.6	Very high	92.9	Very high	69 Å²	69	102.9 Å²	102.9	36%	0.361	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	11.2	177.7	-57.8	176.4	0	0	0	112.6	L427 Q435 H437 D441 L442 K443	L427-L439 HydrophobicContact CD1-CD1 4.3Å; L427-L439 HydrophobicContact CD1-CD2 4.34Å; L427-L439 HydrophobicContact CD1-CG 4.21Å; L427-L439 HydrophobicContact CD2-CD1 4.26Å; L427-L439 HydrophobicContact CD2-CD2 4.13Å; Q435-L439 WeakPolarHBondContact O-CB 3.39Å; Q435-L439 PolarHBondContact O-N 3.04Å; H437-L439 VanDerWaalsContact C-N 3.32Å; H437-L439 PolarHBondContact O-N 3.07Å; L439-D441 VanDerWaalsContact C-N 3.35Å; L439-D441 PolarHBondContact O-N 3.15Å; L439-L442 HydrophobicContact CD2-CD2 4.46Å; L439-K443 VanDerWaalsContact O-CB 3.27Å; L439-K443 WeakPolarHBondContact O-CB 3.29Å; L439-K443 PolarHBondContact O-N 2.93Å
440	K	93.7	Very high	93	Very high	105 Å²	105	99.6 Å²	99.6	46%	0.457	46%	0.463	S	S	.	.	H	α-helix	trans	-52.2	-52.7	-173.3	177.8	-171.9	158.4	-97.7	0	111.7	K436 H437 K443 N444	K436-K440 WeakPolarHBondContact O-CA 3.41Å; K436-K440 PolarHBondContact O-N 3.07Å; H437-K440 PolarHBondContact O-N 3.09Å; K440-K443 PolarHBondContact O-N 3.27Å; K440-N444 PolarHBondContact O-N 3.3Å; K440-N444 VanDerWaalsContact O-N 3.09Å; K440-N444 PolarHBondContact O-OD1 3.08Å
441	D	93.1	Very high	93	Very high	92 Å²	92	101.9 Å²	101.9	49%	0.492	48%	0.475	S	S	.	.	H	α-helix	trans	-80.2	-34.8	-168	-44.4	-61.3	0	0	0	111.1	L439 K443 N444 Q445	L439-D441 VanDerWaalsContact C-N 3.35Å; L439-D441 PolarHBondContact O-N 3.15Å; D441-K443 PolarHBondContact O-N 3.5Å; D441-N444 WeakPolarHBondContact O-CB 3.36Å; D441-N444 PolarHBondContact O-N 2.99Å; D441-Q445 WeakPolarHBondContact O-CG 3.49Å; D441-Q445 PolarHBondContact O-N 2.96Å
442	L	93.4	Very high	93	Very high	95 Å²	95	104.2 Å²	104.2	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-41.1	167.4	179.6	62.6	0	0	0	111.9	L439 N444 Q445 V446	L439-L442 HydrophobicContact CD2-CD2 4.46Å; L442-N444 VanDerWaalsContact C-N 3.25Å; L442-N444 PolarHBondContact O-N 2.93Å; L442-Q445 WeakPolarHBondContact O-CB 3.5Å; L442-Q445 PolarHBondContact O-N 2.69Å; L442-V446 HydrophobicContact CD1-CG2 4.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.41Å; L442-V446 PolarHBondContact O-N 2.77Å
443	K	93	Very high	92.9	Very high	119 Å²	119	100.2 Å²	100.2	52%	0.517	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-30.3	177	-161.5	-116.4	168.5	-171.3	0	112.1	L439 K440 D441 K447	L439-K443 VanDerWaalsContact O-CB 3.27Å; L439-K443 WeakPolarHBondContact O-CB 3.29Å; L439-K443 PolarHBondContact O-N 2.93Å; K440-K443 PolarHBondContact O-N 3.27Å; D441-K443 PolarHBondContact O-N 3.5Å; K443-K447 PolarHBondContact O-N 3Å; K443-K447 VanDerWaalsContact O-N 3.14Å
444	N	92.6	Very high	92.7	Very high	86 Å²	86	94.4 Å²	94.4	46%	0.46	45%	0.45	S	S	.	.	H	α-helix	trans	-72.1	-40.9	172.4	-71	2.6	0	0	0	111.3	K440 D441 L442 K447 V448	K440-N444 PolarHBondContact O-N 3.3Å; K440-N444 VanDerWaalsContact O-N 3.09Å; K440-N444 PolarHBondContact O-OD1 3.08Å; D441-N444 WeakPolarHBondContact O-CB 3.36Å; D441-N444 PolarHBondContact O-N 2.99Å; L442-N444 VanDerWaalsContact C-N 3.25Å; L442-N444 PolarHBondContact O-N 2.93Å; N444-K447 PolarHBondContact O-N 2.99Å; N444-V448 WeakPolarHBondContact O-CG2 3.36Å; N444-V448 PolarHBondContact O-N 3.01Å
445	Q	93.9	Very high	92.5	Very high	130 Å²	130	97 Å²	97	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-60.8	-48.3	174.3	-71.5	166.9	-26	0	0	111.9	D441 L442 K447 V448 F449	D441-Q445 WeakPolarHBondContact O-CG 3.49Å; D441-Q445 PolarHBondContact O-N 2.96Å; L442-Q445 WeakPolarHBondContact O-CB 3.5Å; L442-Q445 PolarHBondContact O-N 2.69Å; Q445-K447 VanDerWaalsContact C-N 3.28Å; Q445-K447 PolarHBondContact O-N 3.38Å; Q445-V448 PolarHBondContact O-N 3.06Å; Q445-F449 PolarHBondContact O-N 3.16Å
446	V	93.8	Very high	92.3	Very high	27 Å²	27	95.8 Å²	95.8	16%	0.164	48%	0.481	C	S	.	.	H	α-helix	trans	-63.2	-32.9	176.6	175.9	0	0	0	0	111.8	L442 A450 L458 V461 L465	L442-V446 HydrophobicContact CD1-CG2 4.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.41Å; L442-V446 PolarHBondContact O-N 2.77Å; V446-A450 WeakPolarHBondContact O-CB 3.48Å; V446-A450 PolarHBondContact O-N 2.75Å; V446-L458 HydrophobicContact CG1-CD2 4.15Å; V446-V461 HydrophobicContact CG1-CG1 3.97Å; V446-L465 HydrophobicContact CG1-CD1 4.46Å
447	K	92.8	Very high	92.1	Very high	87 Å²	87	91.1 Å²	91.1	38%	0.378	46%	0.464	S	S	.	.	H	α-helix	trans	-66.9	-48.4	171.2	-163.6	-168.4	-171.1	-56.4	0	111.7	K443 N444 Q445 F449 A450 D451 L458	K443-K447 PolarHBondContact O-N 3Å; K443-K447 VanDerWaalsContact O-N 3.14Å; N444-K447 PolarHBondContact O-N 2.99Å; Q445-K447 VanDerWaalsContact C-N 3.28Å; Q445-K447 PolarHBondContact O-N 3.38Å; K447-F449 PolarHBondContact O-N 2.93Å; K447-A450 PolarHBondContact O-N 2.96Å; K447-A450 VanDerWaalsContact O-N 3.14Å; K447-D451 WeakPolarHBondContact CG-OD1 3.34Å; K447-D451 WeakPolarHBondContact CG-OD2 3.4Å; K447-D451 IonicContact NZ-OD1 3.55Å; K447-D451 PolarHBondContact NZ-OD1 3.4Å; K447-D451 IonicContact NZ-OD2 3.41Å; K447-D451 PolarHBondContact NZ-OD2 2.95Å; K447-D451 VanDerWaalsContact O-CB 3.26Å; K447-D451 WeakPolarHBondContact O-CB 3.45Å; K447-D451 PolarHBondContact O-N 3.46Å; K447-L458 HydrophobicContact CB-CD1 4.49Å; K447-L458 HydrophobicContact CB-CD2 4Å; K447-L458 HydrophobicContact CG-CD1 4.03Å; K447-L458 HydrophobicContact CG-CD2 4.22Å; K447-L458 HydrophobicContact CG-CG 4.29Å
448	V	94.1	Very high	92	Very high	81 Å²	81	86.2 Å²	86.2	49%	0.491	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-22.7	179.3	172.2	0	0	0	0	112.6	N444 Q445 K452	N444-V448 WeakPolarHBondContact O-CG2 3.36Å; N444-V448 PolarHBondContact O-N 3.01Å; Q445-V448 PolarHBondContact O-N 3.06Å; V448-K452 WeakPolarHBondContact O-CD 3.47Å; V448-K452 VanDerWaalsContact O-CG 3.24Å; V448-K452 WeakPolarHBondContact O-CG 3.43Å
449	F	94.7	Very high	91.8	Very high	100 Å²	100	87.5 Å²	87.5	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-74.4	-54.6	167.6	177.2	-92.6	0	0	0	111.7	Q445 K447 D451 K452 E453 E454 V461	Q445-F449 PolarHBondContact O-N 3.16Å; K447-F449 PolarHBondContact O-N 2.93Å; F449-D451 VanDerWaalsContact C-N 3.32Å; F449-D451 PolarHBondContact O-N 3.04Å; F449-K452 PolarHBondContact O-N 2.89Å; F449-E453 HydrophobicContact CD2-CG 4.01Å; F449-E453 HydrophobicContact CE2-CB 4.45Å; F449-E453 HydrophobicContact CE2-CG 3.69Å; F449-E453 HydrophobicContact CZ-CB 4.26Å; F449-E453 HydrophobicContact CZ-CG 4.01Å; F449-E453 PolarHBondContact O-N 3.03Å; F449-E454 HydrophobicContact CE1-CG 4.32Å; F449-V461 HydrophobicContact CD1-CG1 4Å; F449-V461 HydrophobicContact CE1-CG1 4.2Å; F449-V461 HydrophobicContact CE1-CG2 4.48Å
450	A	93.7	Very high	91.5	Very high	0 Å²	0	86.4 Å²	86.4	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-59.2	-41.9	-179.1	0	0	0	0	0	112.3	V446 K447 K452 E454 G455 G456 L458 V461	V446-A450 WeakPolarHBondContact O-CB 3.48Å; V446-A450 PolarHBondContact O-N 2.75Å; K447-A450 PolarHBondContact O-N 2.96Å; K447-A450 VanDerWaalsContact O-N 3.14Å; A450-K452 PolarHBondContact O-N 3.3Å; A450-K452 VanDerWaalsContact O-N 3.1Å; A450-E454 CarbonylContact O-C 3.5Å; A450-E454 VanDerWaalsContact O-C 3.31Å; A450-E454 PolarHBondContact O-N 3.1Å; A450-E454 VanDerWaalsContact O-N 3.09Å; A450-G455 PolarHBondContact O-N 3.06Å; A450-G456 WeakPolarHBondContact O-CA 3.41Å; A450-G456 PolarHBondContact O-N 3.25Å; A450-L458 HydrophobicContact CB-CD2 4.31Å; A450-L458 HydrophobicContact CB-CG 4.49Å; A450-V461 HydrophobicContact CB-CG2 4.08Å
451	D	92.5	Very high	91.4	Very high	74 Å²	74	81.8 Å²	81.8	40%	0.396	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-10.2	176.2	-66.3	-6.5	0	0	0	114	K447 F449	K447-D451 WeakPolarHBondContact CG-OD1 3.34Å; K447-D451 WeakPolarHBondContact CG-OD2 3.4Å; K447-D451 IonicContact NZ-OD1 3.55Å; K447-D451 PolarHBondContact NZ-OD1 3.4Å; K447-D451 IonicContact NZ-OD2 3.41Å; K447-D451 PolarHBondContact NZ-OD2 2.95Å; K447-D451 VanDerWaalsContact O-CB 3.26Å; K447-D451 WeakPolarHBondContact O-CB 3.45Å; K447-D451 PolarHBondContact O-N 3.46Å; F449-D451 VanDerWaalsContact C-N 3.32Å; F449-D451 PolarHBondContact O-N 3.04Å
452	K	92.8	Very high	91.3	Very high	154 Å²	154	80.6 Å²	80.6	67%	0.67	43%	0.428	S	S	*	.	H	α-helix	trans	-111.8	-46.6	-177.9	-77.8	-177.2	175.3	-164.6	0	113.7	V448 F449 A450	V448-K452 WeakPolarHBondContact O-CD 3.47Å; V448-K452 VanDerWaalsContact O-CG 3.24Å; V448-K452 WeakPolarHBondContact O-CG 3.43Å; F449-K452 PolarHBondContact O-N 2.89Å; A450-K452 PolarHBondContact O-N 3.3Å; A450-K452 VanDerWaalsContact O-N 3.1Å
453	E	90.7	Very high	91.2	Very high	136 Å²	136	78.4 Å²	78.4	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-100.3	-26.8	-171.2	-48.5	-63.3	144.6	0	0	112.3	F449	F449-E453 HydrophobicContact CD2-CG 4.01Å; F449-E453 HydrophobicContact CE2-CB 4.45Å; F449-E453 HydrophobicContact CE2-CG 3.69Å; F449-E453 HydrophobicContact CZ-CB 4.26Å; F449-E453 HydrophobicContact CZ-CG 4.01Å; F449-E453 PolarHBondContact O-N 3.03Å
454	E	87.8	Confident	91.1	Very high	104 Å²	104	75.4 Å²	75.4	49%	0.486	41%	0.409	S	S	.	.	S	Bend	trans	-132.8	30.3	-160.6	-62	-88.6	-159.2	0	0	112	F449 A450 G456 D457 V461	F449-E454 HydrophobicContact CE1-CG 4.32Å; A450-E454 CarbonylContact O-C 3.5Å; A450-E454 VanDerWaalsContact O-C 3.31Å; A450-E454 PolarHBondContact O-N 3.1Å; A450-E454 VanDerWaalsContact O-N 3.09Å; E454-G456 PolarHBondContact O-N 3.24Å; E454-D457 PolarHBondContact O-N 3.24Å; E454-V461 HydrophobicContact CB-CG2 3.82Å; E454-V461 HydrophobicContact CG-CG2 3.7Å
455	G	86.8	Confident	91	Very high	87 Å²	87	75.9 Å²	75.9	90%	0.897	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	3.5	177.6	0	0	0	0	0	116.5	A450	A450-G455 PolarHBondContact O-N 3.06Å
456	G	88.2	Confident	91	Very high	26 Å²	26	75 Å²	75	27%	0.268	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	3.1	-173	0	0	0	0	0	115.9	A450 E454 L458	A450-G456 WeakPolarHBondContact O-CA 3.41Å; A450-G456 PolarHBondContact O-N 3.25Å; E454-G456 PolarHBondContact O-N 3.24Å; G456-L458 VanDerWaalsContact C-N 3.3Å; G456-L458 PolarHBondContact O-N 3.02Å
457	D	89.2	Confident	91	Very high	73 Å²	73	74.6 Å²	74.6	39%	0.39	40%	0.402	S	S	.	.			trans	-74.4	81.7	-179.6	-170.3	24.7	0	0	0	114.1	E454 K459 S460 V461	E454-D457 PolarHBondContact O-N 3.24Å; D457-K459 PolarHBondContact O-N 2.7Å; D457-K459 VanDerWaalsContact O-N 3.09Å; D457-K459 WeakPolarHBondContact OD1-CA 3.39Å; D457-K459 WeakPolarHBondContact OD1-CB 3.36Å; D457-K459 PolarHBondContact OD1-N 2.85Å; D457-S460 WeakPolarHBondContact OD2-CA 3.25Å; D457-S460 WeakPolarHBondContact OD2-CB 3.43Å; D457-S460 PolarHBondContact OD2-N 2.67Å; D457-V461 WeakPolarHBondContact O-CB 3.46Å; D457-V461 WeakPolarHBondContact O-CG2 3.43Å; D457-V461 PolarHBondContact O-N 3.32Å
458	L	89.8	Confident	91	Very high	42 Å²	42	75.7 Å²	75.7	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-52.4	-21.7	166.7	-80.9	175	0	0	0	114.5	V446 K447 A450 G456 C462	V446-L458 HydrophobicContact CG1-CD2 4.15Å; K447-L458 HydrophobicContact CB-CD1 4.49Å; K447-L458 HydrophobicContact CB-CD2 4Å; K447-L458 HydrophobicContact CG-CD1 4.03Å; K447-L458 HydrophobicContact CG-CD2 4.22Å; K447-L458 HydrophobicContact CG-CG 4.29Å; A450-L458 HydrophobicContact CB-CD2 4.31Å; A450-L458 HydrophobicContact CB-CG 4.49Å; G456-L458 VanDerWaalsContact C-N 3.3Å; G456-L458 PolarHBondContact O-N 3.02Å; L458-C462 WeakPolarHBondContact O-CB 3.16Å; L458-C462 PolarHBondContact O-N 2.93Å; L458-C462 PolarHBondContact O-SG 2.89Å
459	K	87.5	Confident	91	Very high	150 Å²	150	74.2 Å²	74.2	65%	0.652	41%	0.408	S	S	*	.	H	α-helix	trans	-80.8	-56.2	-178	179.8	-169.2	154.8	-138.2	0	110.3	D457 C462 L463	D457-K459 PolarHBondContact O-N 2.7Å; D457-K459 VanDerWaalsContact O-N 3.09Å; D457-K459 WeakPolarHBondContact OD1-CA 3.39Å; D457-K459 WeakPolarHBondContact OD1-CB 3.36Å; D457-K459 PolarHBondContact OD1-N 2.85Å; K459-C462 PolarHBondContact O-N 2.66Å; K459-L463 HydrophobicContact CG-CD1 3.83Å; K459-L463 WeakPolarHBondContact O-CB 3.41Å; K459-L463 WeakPolarHBondContact O-CD1 3.39Å; K459-L463 VanDerWaalsContact O-CG 3.23Å; K459-L463 WeakPolarHBondContact O-CG 3.45Å; K459-L463 PolarHBondContact O-N 2.95Å
460	S	88	Confident	91	Very high	47 Å²	47	70 Å²	70	33%	0.329	39%	0.389	S	S	.	.	H	α-helix	trans	-55.4	-54.1	174.6	-179.5	0	0	0	0	110.6	D457 C462 L463 T464	D457-S460 WeakPolarHBondContact OD2-CA 3.25Å; D457-S460 WeakPolarHBondContact OD2-CB 3.43Å; D457-S460 PolarHBondContact OD2-N 2.67Å; S460-C462 VanDerWaalsContact C-N 3.34Å; S460-C462 PolarHBondContact O-N 2.85Å; S460-L463 PolarHBondContact O-N 3.01Å; S460-T464 PolarHBondContact O-N 3.5Å; S460-T464 PolarHBondContact O-OG1 3.39Å
461	V	91.1	Very high	90.9	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.042	40%	0.403	C	S	.	.	H	α-helix	trans	-54.3	-46.7	-179.6	172.8	0	0	0	0	112.2	V446 F449 A450 E454 D457 L463 L465	V446-V461 HydrophobicContact CG1-CG1 3.97Å; F449-V461 HydrophobicContact CD1-CG1 4Å; F449-V461 HydrophobicContact CE1-CG1 4.2Å; F449-V461 HydrophobicContact CE1-CG2 4.48Å; A450-V461 HydrophobicContact CB-CG2 4.08Å; E454-V461 HydrophobicContact CB-CG2 3.82Å; E454-V461 HydrophobicContact CG-CG2 3.7Å; D457-V461 WeakPolarHBondContact O-CB 3.46Å; D457-V461 WeakPolarHBondContact O-CG2 3.43Å; D457-V461 PolarHBondContact O-N 3.32Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.17Å; V461-L465 HydrophobicContact CG1-CD1 3.92Å; V461-L465 HydrophobicContact CG1-CG 4.5Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 WeakPolarHBondContact O-CG 3.26Å; V461-L465 PolarHBondContact O-N 3.26Å
462	C	91.4	Very high	91	Very high	67 Å²	67	74.7 Å²	74.7	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-32.9	178	-73.3	0	0	0	0	113.5	L458 K459 S460 F466	L458-C462 WeakPolarHBondContact O-CB 3.16Å; L458-C462 PolarHBondContact O-N 2.93Å; L458-C462 PolarHBondContact O-SG 2.89Å; K459-C462 PolarHBondContact O-N 2.66Å; S460-C462 VanDerWaalsContact C-N 3.34Å; S460-C462 PolarHBondContact O-N 2.85Å; C462-F466 PolarHBondContact O-N 3.18Å
463	L	90.2	Very high	90.9	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-76.7	-44.2	-179.8	-71.9	164.3	0	0	0	111.1	K459 S460 V461 F466 L467 L482 M486	K459-L463 HydrophobicContact CG-CD1 3.83Å; K459-L463 WeakPolarHBondContact O-CB 3.41Å; K459-L463 WeakPolarHBondContact O-CD1 3.39Å; K459-L463 VanDerWaalsContact O-CG 3.23Å; K459-L463 WeakPolarHBondContact O-CG 3.45Å; K459-L463 PolarHBondContact O-N 2.95Å; S460-L463 PolarHBondContact O-N 3.01Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.17Å; L463-F466 CarbonylContact O-C 3.51Å; L463-F466 PolarHBondContact O-N 2.56Å; L463-F466 VanDerWaalsContact O-N 3.11Å; L463-L467 PolarHBondContact O-N 2.86Å; L463-L482 HydrophobicContact CD2-CD1 4Å; L463-M486 HydrophobicContact CB-CE 3.81Å; L463-M486 HydrophobicContact CB-CG 4.27Å; L463-M486 HydrophobicContact CB-SD 3.77Å; L463-M486 HydrophobicContact CD1-CG 4.16Å; L463-M486 HydrophobicContact CD2-CG 4.47Å
464	T	90.8	Very high	90.9	Very high	56 Å²	56	69 Å²	69	34%	0.344	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.2	-59.3	0	0	0	0	111.7	S460 F466 L467 L468	S460-T464 PolarHBondContact O-N 3.5Å; S460-T464 PolarHBondContact O-OG1 3.39Å; T464-F466 PolarHBondContact O-N 3.42Å; T464-L467 PolarHBondContact O-N 2.92Å; T464-L468 HydrophobicContact CG2-CD1 4.18Å; T464-L468 WeakPolarHBondContact O-CB 3.42Å; T464-L468 WeakPolarHBondContact O-CG 3.44Å; T464-L468 PolarHBondContact O-N 3.1Å
465	L	92.3	Very high	91.2	Very high	96 Å²	96	68.3 Å²	68.3	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-34.9	172.1	-75.1	171.1	0	0	0	112.6	V446 V461 A469	V446-L465 HydrophobicContact CG1-CD1 4.46Å; V461-L465 HydrophobicContact CG1-CD1 3.92Å; V461-L465 HydrophobicContact CG1-CG 4.5Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 WeakPolarHBondContact O-CG 3.26Å; V461-L465 PolarHBondContact O-N 3.26Å; L465-A469 WeakPolarHBondContact O-CB 3.34Å; L465-A469 PolarHBondContact O-N 3.41Å; L465-A469 VanDerWaalsContact O-N 3.09Å
466	F	93.3	Very high	91.3	Very high	110 Å²	110	68.4 Å²	68.4	48%	0.482	38%	0.383	S	S	.	.	H	α-helix	trans	-78.4	-36.5	177.7	-171.5	-137.9	0	0	0	112.5	C462 L463 T464 A469 L470 L482	C462-F466 PolarHBondContact O-N 3.18Å; L463-F466 CarbonylContact O-C 3.51Å; L463-F466 PolarHBondContact O-N 2.56Å; L463-F466 VanDerWaalsContact O-N 3.11Å; T464-F466 PolarHBondContact O-N 3.42Å; F466-A469 PolarHBondContact O-N 2.83Å; F466-L470 HydrophobicContact CD1-CD1 4.29Å; F466-L470 HydrophobicContact CD2-CD1 4.41Å; F466-L470 HydrophobicContact CD2-CG 4.27Å; F466-L470 HydrophobicContact CE1-CD1 4Å; F466-L470 HydrophobicContact CE2-CD1 4.14Å; F466-L470 HydrophobicContact CE2-CD2 4.09Å; F466-L470 HydrophobicContact CE2-CG 3.97Å; F466-L470 HydrophobicContact CG-CD1 4.47Å; F466-L470 HydrophobicContact CZ-CD1 3.91Å; F466-L470 HydrophobicContact CZ-CD2 4.2Å; F466-L470 HydrophobicContact CZ-CG 4.2Å; F466-L470 WeakPolarHBondContact O-CG 3.37Å; F466-L470 PolarHBondContact O-N 3.15Å; F466-L482 HydrophobicContact CB-CD2 4.22Å; F466-L482 HydrophobicContact CD1-CD1 4.4Å; F466-L482 HydrophobicContact CD1-CD2 3.42Å; F466-L482 VanDerWaalsContact CD1-CD2 3.42Å; F466-L482 HydrophobicContact CE1-CD2 4.02Å; F466-L482 HydrophobicContact CG-CD2 4.06Å
467	L	92.9	Very high	91.2	Very high	20 Å²	20	75.5 Å²	75.5	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-56.9	-51.2	168.6	-85.9	178.2	0	0	0	111.3	L463 T464 A469 L470 R471 A479 L482 E483 M486	L463-L467 PolarHBondContact O-N 2.86Å; T464-L467 PolarHBondContact O-N 2.92Å; L467-A469 VanDerWaalsContact C-N 3.31Å; L467-A469 PolarHBondContact O-N 2.9Å; L467-L470 PolarHBondContact O-N 2.86Å; L467-R471 WeakPolarHBondContact O-CB 3.37Å; L467-R471 WeakPolarHBondContact O-CG 3.44Å; L467-R471 PolarHBondContact O-N 2.89Å; L467-A479 HydrophobicContact CD2-CB 3.92Å; L467-A479 WeakPolarHBondContact CD2-O 3.3Å; L467-L482 HydrophobicContact CD2-CB 4.03Å; L467-L482 HydrophobicContact CD2-CD2 3.85Å; L467-L482 HydrophobicContact CD2-CG 3.99Å; L467-L482 HydrophobicContact CG-CD2 3.84Å; L467-L482 HydrophobicContact CG-CG 4.19Å; L467-E483 HydrophobicContact CD1-CB 4.45Å; L467-E483 HydrophobicContact CD1-CG 4.25Å; L467-E483 HydrophobicContact CD2-CB 4Å; L467-M486 HydrophobicContact CD1-CE 3.95Å; L467-M486 HydrophobicContact CD1-SD 3.42Å; L467-M486 WeakPolarHBondContact CD1-SD 3.46Å; L467-M486 HydrophobicContact CG-SD 3.94Å
468	L	93.6	Very high	91.1	Very high	109 Å²	109	76.1 Å²	76.1	57%	0.571	40%	0.402	S	S	*	.	H	α-helix	trans	-62.3	-39.2	-179.9	-68.9	172.8	0	0	0	111.5	T464 S472	T464-L468 HydrophobicContact CG2-CD1 4.18Å; T464-L468 WeakPolarHBondContact O-CB 3.42Å; T464-L468 WeakPolarHBondContact O-CG 3.44Å; T464-L468 PolarHBondContact O-N 3.1Å; L468-S472 VanDerWaalsContact O-CB 3.29Å; L468-S472 WeakPolarHBondContact O-CB 3.28Å; L468-S472 PolarHBondContact O-N 2.84Å; L468-S472 PolarHBondContact O-OG 2.93Å
469	A	94.3	Very high	90.9	Very high	51 Å²	51	74.1 Å²	74.1	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-60.1	-49	172.6	0	0	0	0	0	112.2	L465 F466 L467 S472 G473	L465-A469 WeakPolarHBondContact O-CB 3.34Å; L465-A469 PolarHBondContact O-N 3.41Å; L465-A469 VanDerWaalsContact O-N 3.09Å; F466-A469 PolarHBondContact O-N 2.83Å; L467-A469 VanDerWaalsContact C-N 3.31Å; L467-A469 PolarHBondContact O-N 2.9Å; A469-S472 PolarHBondContact O-N 3.5Å; A469-S472 PolarHBondContact O-OG 3.16Å; A469-G473 PolarHBondContact O-N 2.98Å
470	L	93.4	Very high	90.8	Very high	10 Å²	10	70.7 Å²	70.7	5%	0.052	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-43.8	178.2	-69	169	0	0	0	112.3	F466 L467 S472 G473 N474 E475 Q478 A479 L482	F466-L470 HydrophobicContact CD1-CD1 4.29Å; F466-L470 HydrophobicContact CD2-CD1 4.41Å; F466-L470 HydrophobicContact CD2-CG 4.27Å; F466-L470 HydrophobicContact CE1-CD1 4Å; F466-L470 HydrophobicContact CE2-CD1 4.14Å; F466-L470 HydrophobicContact CE2-CD2 4.09Å; F466-L470 HydrophobicContact CE2-CG 3.97Å; F466-L470 HydrophobicContact CG-CD1 4.47Å; F466-L470 HydrophobicContact CZ-CD1 3.91Å; F466-L470 HydrophobicContact CZ-CD2 4.2Å; F466-L470 HydrophobicContact CZ-CG 4.2Å; F466-L470 WeakPolarHBondContact O-CG 3.37Å; F466-L470 PolarHBondContact O-N 3.15Å; L467-L470 PolarHBondContact O-N 2.86Å; L470-S472 VanDerWaalsContact C-N 3.34Å; L470-S472 PolarHBondContact O-N 2.88Å; L470-G473 PolarHBondContact O-N 2.82Å; L470-N474 PolarHBondContact O-N 3.11Å; L470-E475 HydrophobicContact CD2-CB 4.24Å; L470-E475 WeakPolarHBondContact CD2-OE2 3.09Å; L470-E475 PolarHBondContact O-N 2.94Å; L470-Q478 HydrophobicContact CD1-CB 4.27Å; L470-Q478 HydrophobicContact CD2-CB 4.17Å; L470-A479 HydrophobicContact CB-CB 4.03Å; L470-L482 HydrophobicContact CD1-CD2 3.84Å
471	R	92.6	Very high	90.6	Very high	77 Å²	77	71.7 Å²	71.7	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-42.6	174.5	-65.1	-86.2	-174.3	-143.8	-12	110.6	L467 G473 N474 A479 D480 E483	L467-R471 WeakPolarHBondContact O-CB 3.37Å; L467-R471 WeakPolarHBondContact O-CG 3.44Å; L467-R471 PolarHBondContact O-N 2.89Å; R471-G473 VanDerWaalsContact C-N 3.31Å; R471-G473 PolarHBondContact O-N 3Å; R471-N474 PolarHBondContact O-N 3.12Å; R471-A479 HydrophobicContact CG-CB 3.88Å; R471-D480 IonicContact CZ-OD1 3.24Å; R471-D480 IonicContact NH1-OD1 3.31Å; R471-D480 PolarHBondContact NH1-OD1 3.35Å; R471-D480 IonicContact NH2-OD1 3.01Å; R471-D480 PolarHBondContact NH2-OD1 3.24Å; R471-E483 IonicContact CZ-OE2 3.11Å; R471-E483 IonicContact NH2-OE2 3.86Å; R471-E483 PolarHBondContact NH2-OE2 2.84Å
472	S	93.8	Very high	90.3	Very high	96 Å²	96	72 Å²	72	67%	0.671	38%	0.381	S	S	*	.	H	α-helix	trans	-68.8	-24.9	176.7	76.2	0	0	0	0	114.2	L468 A469 L470 N474	L468-S472 VanDerWaalsContact O-CB 3.29Å; L468-S472 WeakPolarHBondContact O-CB 3.28Å; L468-S472 PolarHBondContact O-N 2.84Å; L468-S472 PolarHBondContact O-OG 2.93Å; A469-S472 PolarHBondContact O-N 3.5Å; A469-S472 PolarHBondContact O-OG 3.16Å; L470-S472 VanDerWaalsContact C-N 3.34Å; L470-S472 PolarHBondContact O-N 2.88Å; S472-N474 VanDerWaalsContact C-N 3.26Å
473	G	91.1	Very high	89.9	Confident	47 Å²	47	71.8 Å²	71.8	49%	0.485	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3.5	170	0	0	0	0	0	114.3	A469 L470 R471 E475	A469-G473 PolarHBondContact O-N 2.98Å; L470-G473 PolarHBondContact O-N 2.82Å; R471-G473 VanDerWaalsContact C-N 3.31Å; R471-G473 PolarHBondContact O-N 3Å; G473-E475 PolarHBondContact O-N 3.38Å
474	N	91.9	Very high	89.4	Confident	123 Å²	123	70.5 Å²	70.5	66%	0.658	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	18	-170.4	-52.3	-57.1	0	0	0	114.4	L470 R471 S472 H476	L470-N474 PolarHBondContact O-N 3.11Å; R471-N474 PolarHBondContact O-N 3.12Å; S472-N474 VanDerWaalsContact C-N 3.26Å; N474-H476 PolarHBondContact O-CD2 3.48Å; N474-H476 PolarHBondContact O-N 3.01Å
475	E	92.6	Very high	88.7	Confident	91 Å²	91	72.6 Å²	72.6	43%	0.425	38%	0.377	S	S	.	.			trans	-82.1	46.9	179.6	-60.5	-158.5	111.5	0	0	111.8	L470 G473 R477 Q478 A479	L470-E475 HydrophobicContact CD2-CB 4.24Å; L470-E475 WeakPolarHBondContact CD2-OE2 3.09Å; L470-E475 PolarHBondContact O-N 2.94Å; G473-E475 PolarHBondContact O-N 3.38Å; E475-R477 VanDerWaalsContact C-N 3.31Å; E475-R477 PolarHBondContact O-N 3.35Å; E475-R477 VanDerWaalsContact O-N 3.13Å; E475-Q478 HydrophobicContact CB-CB 4.34Å; E475-Q478 WeakPolarHBondContact O-CA 3.28Å; E475-Q478 WeakPolarHBondContact O-CB 3.41Å; E475-Q478 PolarHBondContact O-N 3.17Å; E475-Q478 PolarHBondContact OE1-NE2 2.88Å; E475-Q478 PolarHBondContact OE2-NE2 3.28Å; E475-A479 PolarHBondContact O-N 3.03Å; E475-A479 VanDerWaalsContact O-N 3.14Å
476	H	88.6	Confident	87.9	Confident	89 Å²	89	71.5 Å²	71.5	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-49.3	-46.6	-169.3	-62.6	-66.2	0	0	0	113.4	N474 Q478 A479 D480	N474-H476 PolarHBondContact O-CD2 3.48Å; N474-H476 PolarHBondContact O-N 3.01Å; H476-Q478 VanDerWaalsContact C-N 3.25Å; H476-Q478 PolarHBondContact O-N 2.87Å; H476-A479 CarbonylContact O-C 3.51Å; H476-A479 WeakPolarHBondContact O-CA 3.17Å; H476-A479 WeakPolarHBondContact O-CB 3.45Å; H476-A479 PolarHBondContact O-N 3.49Å; H476-D480 PolarHBondContact O-N 3.27Å
477	R	87.4	Confident	87	Confident	175 Å²	175	70.6 Å²	70.6	66%	0.66	37%	0.368	S	S	*	.	H	α-helix	trans	-57.9	-34.6	178.5	-155.3	-161.4	80.4	-141.4	-3.3	113.5	E475 E481	E475-R477 VanDerWaalsContact C-N 3.31Å; E475-R477 PolarHBondContact O-N 3.35Å; E475-R477 VanDerWaalsContact O-N 3.13Å; R477-E481 IonicContact CZ-OE1 3.23Å; R477-E481 VanDerWaalsContact CZ-OE1 3.25Å; R477-E481 IonicContact NE-OE1 2.65Å; R477-E481 PolarHBondContact NE-OE1 3.06Å; R477-E481 IonicContact NH2-OE1 3.48Å; R477-E481 PolarHBondContact NH2-OE1 2.75Å; R477-E481 WeakPolarHBondContact O-CB 3.41Å; R477-E481 VanDerWaalsContact O-CG 3.26Å; R477-E481 WeakPolarHBondContact O-CG 3.4Å; R477-E481 PolarHBondContact O-N 3.04Å
478	Q	85.9	Confident	85.7	Confident	86 Å²	86	72.6 Å²	72.6	40%	0.402	39%	0.392	S	S	.	.	H	α-helix	trans	-76.1	-32.9	175.7	-67	-170.9	72	0	0	111.8	L470 E475 H476 L482	L470-Q478 HydrophobicContact CD1-CB 4.27Å; L470-Q478 HydrophobicContact CD2-CB 4.17Å; E475-Q478 HydrophobicContact CB-CB 4.34Å; E475-Q478 WeakPolarHBondContact O-CA 3.28Å; E475-Q478 WeakPolarHBondContact O-CB 3.41Å; E475-Q478 PolarHBondContact O-N 3.17Å; E475-Q478 PolarHBondContact OE1-NE2 2.88Å; E475-Q478 PolarHBondContact OE2-NE2 3.28Å; H476-Q478 VanDerWaalsContact C-N 3.25Å; H476-Q478 PolarHBondContact O-N 2.87Å; Q478-L482 WeakPolarHBondContact O-CB 3.48Å; Q478-L482 PolarHBondContact O-N 3.19Å
479	A	87.1	Confident	84.4	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-45.7	169.9	0	0	0	0	0	110.8	L467 L470 R471 E475 H476 E481 L482 E483	L467-A479 HydrophobicContact CD2-CB 3.92Å; L467-A479 WeakPolarHBondContact CD2-O 3.3Å; L470-A479 HydrophobicContact CB-CB 4.03Å; R471-A479 HydrophobicContact CG-CB 3.88Å; E475-A479 PolarHBondContact O-N 3.03Å; E475-A479 VanDerWaalsContact O-N 3.14Å; H476-A479 CarbonylContact O-C 3.51Å; H476-A479 WeakPolarHBondContact O-CA 3.17Å; H476-A479 WeakPolarHBondContact O-CB 3.45Å; H476-A479 PolarHBondContact O-N 3.49Å; A479-E481 PolarHBondContact O-N 3.49Å; A479-L482 CarbonylContact O-C 3.5Å; A479-L482 WeakPolarHBondContact O-CB 3.39Å; A479-L482 PolarHBondContact O-N 3.35Å; A479-L482 VanDerWaalsContact O-N 3.1Å; A479-E483 VanDerWaalsContact O-CB 3.32Å; A479-E483 WeakPolarHBondContact O-CB 3.42Å; A479-E483 PolarHBondContact O-N 3.03Å
480	D	84.9	Confident	83.1	Confident	77 Å²	77	74.3 Å²	74.3	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-40	177.4	-52	-38.7	0	0	0	111.7	R471 H476 L482 E483 A484	R471-D480 IonicContact CZ-OD1 3.24Å; R471-D480 IonicContact NH1-OD1 3.31Å; R471-D480 PolarHBondContact NH1-OD1 3.35Å; R471-D480 IonicContact NH2-OD1 3.01Å; R471-D480 PolarHBondContact NH2-OD1 3.24Å; H476-D480 PolarHBondContact O-N 3.27Å; D480-L482 VanDerWaalsContact C-N 3.31Å; D480-L482 PolarHBondContact O-N 3.39Å; D480-E483 PolarHBondContact O-N 3.22Å; D480-A484 VanDerWaalsContact O-CB 3.26Å; D480-A484 WeakPolarHBondContact O-CB 3.29Å; D480-A484 PolarHBondContact O-N 3.3Å
481	E	83.9	Confident	81.8	Confident	68 Å²	68	79.2 Å²	79.2	32%	0.318	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-34.5	171.3	-78	178.9	-120.4	0	0	112.5	R477 A479 M485	R477-E481 IonicContact CZ-OE1 3.23Å; R477-E481 VanDerWaalsContact CZ-OE1 3.25Å; R477-E481 IonicContact NE-OE1 2.65Å; R477-E481 PolarHBondContact NE-OE1 3.06Å; R477-E481 IonicContact NH2-OE1 3.48Å; R477-E481 PolarHBondContact NH2-OE1 2.75Å; R477-E481 WeakPolarHBondContact O-CB 3.41Å; R477-E481 VanDerWaalsContact O-CG 3.26Å; R477-E481 WeakPolarHBondContact O-CG 3.4Å; R477-E481 PolarHBondContact O-N 3.04Å; A479-E481 PolarHBondContact O-N 3.49Å; E481-M485 WeakPolarHBondContact O-CG 3.44Å; E481-M485 PolarHBondContact O-N 3.01Å
482	L	84.8	Confident	81.1	Confident	14 Å²	14	76.7 Å²	76.7	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-76.8	-43.6	177	176.4	62	0	0	0	112.3	L463 F466 L467 L470 Q478 A479 D480 A484 M485 M486	L463-L482 HydrophobicContact CD2-CD1 4Å; F466-L482 HydrophobicContact CB-CD2 4.22Å; F466-L482 HydrophobicContact CD1-CD1 4.4Å; F466-L482 HydrophobicContact CD1-CD2 3.42Å; F466-L482 VanDerWaalsContact CD1-CD2 3.42Å; F466-L482 HydrophobicContact CE1-CD2 4.02Å; F466-L482 HydrophobicContact CG-CD2 4.06Å; L467-L482 HydrophobicContact CD2-CB 4.03Å; L467-L482 HydrophobicContact CD2-CD2 3.85Å; L467-L482 HydrophobicContact CD2-CG 3.99Å; L467-L482 HydrophobicContact CG-CD2 3.84Å; L467-L482 HydrophobicContact CG-CG 4.19Å; L470-L482 HydrophobicContact CD1-CD2 3.84Å; Q478-L482 WeakPolarHBondContact O-CB 3.48Å; Q478-L482 PolarHBondContact O-N 3.19Å; A479-L482 CarbonylContact O-C 3.5Å; A479-L482 WeakPolarHBondContact O-CB 3.39Å; A479-L482 PolarHBondContact O-N 3.35Å; A479-L482 VanDerWaalsContact O-N 3.1Å; D480-L482 VanDerWaalsContact C-N 3.31Å; D480-L482 PolarHBondContact O-N 3.39Å; L482-A484 VanDerWaalsContact C-N 3.33Å; L482-M485 HydrophobicContact CD1-CE 3.97Å; L482-M485 WeakPolarHBondContact O-CA 3.27Å; L482-M485 WeakPolarHBondContact O-CB 3.36Å; L482-M485 PolarHBondContact O-N 2.99Å; L482-M486 HydrophobicContact CG-SD 4.41Å; L482-M486 WeakPolarHBondContact O-CG 3.05Å; L482-M486 PolarHBondContact O-N 3.3Å
483	E	82.9	Confident	80.8	Confident	62 Å²	62	75.2 Å²	75.2	29%	0.29	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-41.4	179.1	-158.1	-175.1	123.8	0	0	110.7	L467 R471 A479 D480 M485 M486 Q487	L467-E483 HydrophobicContact CD1-CB 4.45Å; L467-E483 HydrophobicContact CD1-CG 4.25Å; L467-E483 HydrophobicContact CD2-CB 4Å; R471-E483 IonicContact CZ-OE2 3.11Å; R471-E483 IonicContact NH2-OE2 3.86Å; R471-E483 PolarHBondContact NH2-OE2 2.84Å; A479-E483 VanDerWaalsContact O-CB 3.32Å; A479-E483 WeakPolarHBondContact O-CB 3.42Å; A479-E483 PolarHBondContact O-N 3.03Å; D480-E483 PolarHBondContact O-N 3.22Å; E483-M485 VanDerWaalsContact C-N 3.31Å; E483-M485 PolarHBondContact O-N 2.9Å; E483-M486 WeakPolarHBondContact O-CB 3.31Å; E483-M486 PolarHBondContact O-N 3.27Å; E483-M486 VanDerWaalsContact O-N 3.07Å; E483-Q487 WeakPolarHBondContact O-CG 3.17Å; E483-Q487 PolarHBondContact O-N 2.89Å; E483-Q487 PolarHBondContact O-OE1 2.91Å; E483-Q487 PolarHBondContact OE1-NE2 3.44Å; E483-Q487 VanDerWaalsContact OE1-NE2 3.14Å
484	A	79.7	Confident	80.7	Confident	23 Å²	23	75.4 Å²	75.4	19%	0.19	39%	0.387	C	S	.	.	H	α-helix	trans	-57.2	-41.4	169.2	0	0	0	0	0	112.2	D480 L482 Q487 G488 R489 G490	D480-A484 VanDerWaalsContact O-CB 3.26Å; D480-A484 WeakPolarHBondContact O-CB 3.29Å; D480-A484 PolarHBondContact O-N 3.3Å; L482-A484 VanDerWaalsContact C-N 3.33Å; A484-Q487 PolarHBondContact O-N 3.23Å; A484-G488 CarbonylContact O-C 3.56Å; A484-G488 PolarHBondContact O-N 3.04Å; A484-R489 HydrophobicContact CB-CB 4.11Å; A484-R489 CarbonylContact O-C 3.59Å; A484-R489 VanDerWaalsContact O-C 3.29Å; A484-R489 VanDerWaalsContact O-CA 3.22Å; A484-R489 WeakPolarHBondContact O-CA 3.31Å; A484-R489 WeakPolarHBondContact O-CB 3.5Å; A484-R489 PolarHBondContact O-N 2.99Å; A484-G490 PolarHBondContact O-N 3.4Å
485	M	75	Confident	80.7	Confident	101 Å²	101	71.6 Å²	71.6	50%	0.498	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-32.1	174.2	-72	-170.1	-63.5	0	0	113.4	E481 L482 E483 G488	E481-M485 WeakPolarHBondContact O-CG 3.44Å; E481-M485 PolarHBondContact O-N 3.01Å; L482-M485 HydrophobicContact CD1-CE 3.97Å; L482-M485 WeakPolarHBondContact O-CA 3.27Å; L482-M485 WeakPolarHBondContact O-CB 3.36Å; L482-M485 PolarHBondContact O-N 2.99Å; E483-M485 VanDerWaalsContact C-N 3.31Å; E483-M485 PolarHBondContact O-N 2.9Å; M485-G488 PolarHBondContact O-N 2.86Å
486	M	77.1	Confident	80.7	Confident	72 Å²	72	68 Å²	68	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-43.2	175.4	-68.7	170.3	64.9	0	0	111.2	L463 L467 L482 E483 G488	L463-M486 HydrophobicContact CB-CE 3.81Å; L463-M486 HydrophobicContact CB-CG 4.27Å; L463-M486 HydrophobicContact CB-SD 3.77Å; L463-M486 HydrophobicContact CD1-CG 4.16Å; L463-M486 HydrophobicContact CD2-CG 4.47Å; L467-M486 HydrophobicContact CD1-CE 3.95Å; L467-M486 HydrophobicContact CD1-SD 3.42Å; L467-M486 WeakPolarHBondContact CD1-SD 3.46Å; L467-M486 HydrophobicContact CG-SD 3.94Å; L482-M486 HydrophobicContact CG-SD 4.41Å; L482-M486 WeakPolarHBondContact O-CG 3.05Å; L482-M486 PolarHBondContact O-N 3.3Å; E483-M486 WeakPolarHBondContact O-CB 3.31Å; E483-M486 PolarHBondContact O-N 3.27Å; E483-M486 VanDerWaalsContact O-N 3.07Å; M486-G488 PolarHBondContact O-N 2.89Å
487	Q	74.2	Confident	80.9	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	15.4	177.6	-62.7	154.2	-7.9	0	0	113.2	E483 A484 R489	E483-Q487 WeakPolarHBondContact O-CG 3.17Å; E483-Q487 PolarHBondContact O-N 2.89Å; E483-Q487 PolarHBondContact O-OE1 2.91Å; E483-Q487 PolarHBondContact OE1-NE2 3.44Å; E483-Q487 VanDerWaalsContact OE1-NE2 3.14Å; A484-Q487 PolarHBondContact O-N 3.23Å; Q487-R489 HydrophobicContact CB-CG 4.21Å; Q487-R489 WeakPolarHBondContact O-CG 3.48Å; Q487-R489 PolarHBondContact O-N 3.49Å
488	G	65.4	Low	81.2	Confident	61 Å²	61	57 Å²	57	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-10.8	-178.2	0	0	0	0	0	116.1	A484 M485 M486 G490	A484-G488 CarbonylContact O-C 3.56Å; A484-G488 PolarHBondContact O-N 3.04Å; M485-G488 PolarHBondContact O-N 2.86Å; M486-G488 PolarHBondContact O-N 2.89Å; G488-G490 PolarHBondContact O-N 3.15Å
489	R	66.4	Low	81.7	Confident	168 Å²	168	53 Å²	53	63%	0.634	29%	0.294	S	S	*	.			trans	-72.4	26.5	178.9	-49.3	-165.3	-80.6	-173.3	-1.5	114.3	A484 Q487	A484-R489 HydrophobicContact CB-CB 4.11Å; A484-R489 CarbonylContact O-C 3.59Å; A484-R489 VanDerWaalsContact O-C 3.29Å; A484-R489 VanDerWaalsContact O-CA 3.22Å; A484-R489 WeakPolarHBondContact O-CA 3.31Å; A484-R489 WeakPolarHBondContact O-CB 3.5Å; A484-R489 PolarHBondContact O-N 2.99Å; Q487-R489 HydrophobicContact CB-CG 4.21Å; Q487-R489 WeakPolarHBondContact O-CG 3.48Å; Q487-R489 PolarHBondContact O-N 3.49Å
490	G	66.3	Low	82.2	Confident	28 Å²	28	53 Å²	53	29%	0.289	29%	0.294	S	S	.	.	S	Bend	trans	-78.6	-179.3	-176.2	0	0	0	0	0	115.1	A484 G488 G492	A484-G490 PolarHBondContact O-N 3.4Å; G488-G490 PolarHBondContact O-N 3.15Å; G490-G492 PolarHBondContact O-N 3.08Å
491	F	65.4	Low	82.7	Confident	113 Å²	113	51.4 Å²	51.4	50%	0.496	29%	0.285	S	S	.	.	S	Bend	trans	-62.2	-4.7	-179.8	-63.7	-74.3	0	0	0	116.1	R525	F491-R525 VanDerWaalsContact CD1-NH1 3.32Å; F491-R525 VanDerWaalsContact CE1-NH1 3.28Å
492	G	79.1	Confident	83.3	Confident	25 Å²	25	49 Å²	49	26%	0.258	27%	0.273	S	S	.	.	S	Bend	trans	-109.2	123.3	176.5	0	0	0	0	0	110.4	G490 Q526	G490-G492 PolarHBondContact O-N 3.08Å; G492-Q526 WeakPolarHBondContact CA-O 3.43Å
493	L	87.7	Confident	83.9	Confident	64 Å²	64	48.3 Å²	48.3	34%	0.335	27%	0.27	S	S	.	.			trans	-61.6	148.4	177.7	-61.4	174.2	0	0	0	110.7	V497 I501 I527 F528 Q529	L493-V497 HydrophobicContact CB-CG1 4.29Å; L493-V497 HydrophobicContact CD1-CG1 4.36Å; L493-V497 HydrophobicContact CD2-CG1 4.27Å; L493-I501 HydrophobicContact CD1-CD1 3.98Å; L493-I527 HydrophobicContact CD1-CG2 4.43Å; L493-I527 HydrophobicContact CG-CG2 4.33Å; L493-I527 PolarHBondContact N-O 2.85Å; L493-F528 HydrophobicContact CD1-CD1 4.13Å; L493-F528 HydrophobicContact CD1-CE1 3.92Å; L493-Q529 VanDerWaalsContact O-CG 3.23Å; L493-Q529 WeakPolarHBondContact O-CG 3.32Å; L493-Q529 PolarHBondContact O-NE2 3.14Å
494	S	88.9	Confident	84.5	Confident	52 Å²	52	46.5 Å²	46.5	36%	0.364	26%	0.262	S	S	.	.			trans	-62.3	157.7	176.6	77	0	0	0	0	111.8	A496 V497 C498	S494-A496 VanDerWaalsContact C-N 3.27Å; S494-A496 PolarHBondContact O-N 3.12Å; S494-V497 PolarHBondContact O-N 2.84Å; S494-V497 WeakPolarHBondContact OG-CG2 3.16Å; S494-V497 PolarHBondContact OG-N 2.71Å; S494-V497 VanDerWaalsContact OG-N 3.12Å; S494-C498 WeakPolarHBondContact O-CB 3.44Å; S494-C498 PolarHBondContact O-N 2.8Å; S494-C498 PolarHBondContact O-SG 3Å; S494-C498 VanDerWaalsContact O-SG 3.34Å
495	P	92.5	Very high	85.2	Confident	42 Å²	42	48.7 Å²	48.7	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-58.1	-38.2	174.3	-25.2	36.1	0	0	0	113	C498 L499 Q529 T533 A537	P495-C498 WeakPolarHBondContact O-CB 3.41Å; P495-C498 PolarHBondContact O-N 2.82Å; P495-L499 WeakPolarHBondContact O-CB 3.46Å; P495-L499 PolarHBondContact O-N 3.3Å; P495-Q529 HydrophobicContact CG-CG 4.43Å; P495-T533 HydrophobicContact CB-CG2 3.97Å; P495-T533 HydrophobicContact CG-CG2 3.6Å; P495-A537 HydrophobicContact CB-CB 3.85Å
496	A	91.3	Very high	86.2	Confident	16 Å²	16	45.7 Å²	45.7	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-50	177	0	0	0	0	0	112	S494 C498 L499 A500 Y1032 F1036	S494-A496 VanDerWaalsContact C-N 3.27Å; S494-A496 PolarHBondContact O-N 3.12Å; A496-C498 VanDerWaalsContact C-N 3.28Å; A496-C498 PolarHBondContact O-N 2.95Å; A496-L499 CarbonylContact O-C 3.51Å; A496-L499 WeakPolarHBondContact O-CA 3.42Å; A496-L499 WeakPolarHBondContact O-CB 3.39Å; A496-L499 PolarHBondContact O-N 3.26Å; A496-A500 PolarHBondContact O-N 2.88Å; A496-Y1032 HydrophobicContact CB-CE1 4.04Å; A496-F1036 HydrophobicContact CB-CE2 3.97Å; A496-F1036 HydrophobicContact CB-CZ 4.31Å
497	V	92.4	Very high	87.1	Confident	33 Å²	33	44 Å²	44	20%	0.2	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-39.3	174.9	171.6	0	0	0	0	111.1	L493 S494 L499 A500 I501 F1036	L493-V497 HydrophobicContact CB-CG1 4.29Å; L493-V497 HydrophobicContact CD1-CG1 4.36Å; L493-V497 HydrophobicContact CD2-CG1 4.27Å; S494-V497 PolarHBondContact O-N 2.84Å; S494-V497 WeakPolarHBondContact OG-CG2 3.16Å; S494-V497 PolarHBondContact OG-N 2.71Å; S494-V497 VanDerWaalsContact OG-N 3.12Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.22Å; V497-A500 PolarHBondContact O-N 3.06Å; V497-I501 HydrophobicContact CG1-CD1 3.87Å; V497-I501 WeakPolarHBondContact O-CB 3.26Å; V497-I501 VanDerWaalsContact O-CG1 3.25Å; V497-I501 WeakPolarHBondContact O-CG1 3.14Å; V497-I501 PolarHBondContact O-N 3.49Å; V497-F1036 HydrophobicContact CG2-CB 4.44Å; V497-F1036 HydrophobicContact CG2-CD1 3.53Å; V497-F1036 HydrophobicContact CG2-CE1 3.83Å; V497-F1036 HydrophobicContact CG2-CG 3.93Å; V497-F1036 HydrophobicContact CG2-CZ 4.45Å
498	C	95.1	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-36.3	173.7	-77.6	0	0	0	0	113.4	S494 P495 A496 R502 Y512 Q529 L534	S494-C498 WeakPolarHBondContact O-CB 3.44Å; S494-C498 PolarHBondContact O-N 2.8Å; S494-C498 PolarHBondContact O-SG 3Å; S494-C498 VanDerWaalsContact O-SG 3.34Å; P495-C498 WeakPolarHBondContact O-CB 3.41Å; P495-C498 PolarHBondContact O-N 2.82Å; A496-C498 VanDerWaalsContact C-N 3.28Å; A496-C498 PolarHBondContact O-N 2.95Å; C498-R502 WeakPolarHBondContact O-CB 3.28Å; C498-R502 PolarHBondContact O-N 2.84Å; C498-R502 VanDerWaalsContact O-N 3.13Å; C498-Y512 WeakPolarHBondContact CB-OH 3.37Å; C498-Q529 HydrophobicContact CB-CB 4.44Å; C498-Q529 PolarHBondContact SG-N 3.01Å; C498-Q529 VanDerWaalsContact SG-N 3.38Å; C498-L534 HydrophobicContact CB-CD1 3.82Å; C498-L534 HydrophobicContact CB-CD2 4.38Å; C498-L534 HydrophobicContact CB-CG 4.26Å
499	L	96.5	Very high	89.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-71.7	-46.8	176.5	-177	62.1	0	0	0	110.9	P495 A496 V497 I501 R502 V503 L534 E538 L541 L1033	P495-L499 WeakPolarHBondContact O-CB 3.46Å; P495-L499 PolarHBondContact O-N 3.3Å; A496-L499 CarbonylContact O-C 3.51Å; A496-L499 WeakPolarHBondContact O-CA 3.42Å; A496-L499 WeakPolarHBondContact O-CB 3.39Å; A496-L499 PolarHBondContact O-N 3.26Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.22Å; L499-I501 PolarHBondContact O-N 3.24Å; L499-R502 VanDerWaalsContact CD1-NH1 3.35Å; L499-R502 WeakPolarHBondContact O-CB 3.24Å; L499-R502 PolarHBondContact O-N 3.15Å; L499-R502 VanDerWaalsContact O-N 3.15Å; L499-V503 HydrophobicContact CD1-CG2 3.91Å; L499-V503 HydrophobicContact CG-CG2 4.28Å; L499-V503 WeakPolarHBondContact O-CB 3.2Å; L499-V503 VanDerWaalsContact O-CG2 3.29Å; L499-V503 WeakPolarHBondContact O-CG2 3.3Å; L499-V503 PolarHBondContact O-N 3.5Å; L499-L534 HydrophobicContact CB-CG 4.47Å; L499-E538 HydrophobicContact CD1-CB 4.16Å; L499-E538 HydrophobicContact CD2-CB 3.61Å; L499-L541 HydrophobicContact CD2-CD1 4.14Å; L499-L1033 HydrophobicContact CB-CD2 4.37Å; L499-L1033 HydrophobicContact CD2-CD1 4.04Å; L499-L1033 HydrophobicContact CD2-CD2 4.28Å; L499-L1033 HydrophobicContact CG-CD1 3.97Å; L499-L1033 HydrophobicContact CG-CD2 4.3Å
500	A	95.8	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-53.8	-51.9	174.5	0	0	0	0	0	111.4	A496 V497 R502 V503 N504 L1033 F1036 M1037	A496-A500 PolarHBondContact O-N 2.88Å; V497-A500 PolarHBondContact O-N 3.06Å; A500-R502 PolarHBondContact O-N 3.1Å; A500-V503 PolarHBondContact O-N 3.29Å; A500-N504 WeakPolarHBondContact O-CB 3.44Å; A500-N504 PolarHBondContact O-N 3.33Å; A500-N504 PolarHBondContact O-ND2 3.01Å; A500-L1033 HydrophobicContact CB-CB 4.16Å; A500-L1033 HydrophobicContact CB-CD2 3.96Å; A500-L1033 VanDerWaalsContact CB-O 3.3Å; A500-L1033 WeakPolarHBondContact CB-O 3.45Å; A500-F1036 HydrophobicContact CB-CB 3.91Å; A500-F1036 HydrophobicContact CB-CD2 4.21Å; A500-F1036 HydrophobicContact CB-CG 4.49Å; A500-M1037 HydrophobicContact CB-SD 4.37Å
501	I	95.7	Very high	92.5	Very high	44 Å²	44	38.7 Å²	38.7	23%	0.226	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-49	176	-69.1	166.6	0	0	0	110.7	L493 V497 L499 V503 T505 F528 M1037	L493-I501 HydrophobicContact CD1-CD1 3.98Å; V497-I501 HydrophobicContact CG1-CD1 3.87Å; V497-I501 WeakPolarHBondContact O-CB 3.26Å; V497-I501 VanDerWaalsContact O-CG1 3.25Å; V497-I501 WeakPolarHBondContact O-CG1 3.14Å; V497-I501 PolarHBondContact O-N 3.49Å; L499-I501 PolarHBondContact O-N 3.24Å; I501-V503 PolarHBondContact O-N 2.74Å; I501-T505 WeakPolarHBondContact O-CB 3.32Å; I501-T505 WeakPolarHBondContact O-CG2 3.43Å; I501-T505 PolarHBondContact O-N 2.94Å; I501-T505 PolarHBondContact O-OG1 3.5Å; I501-F528 HydrophobicContact CD1-CE1 4.31Å; I501-M1037 HydrophobicContact CG1-SD 4.31Å
502	R	97.4	Very high	94	Very high	17 Å²	17	33.3 Å²	33.3	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-49.8	179.6	174.6	-167.2	147.6	-134	-5.5	111.5	C498 L499 A500 F506 L507 Y512 E538	C498-R502 WeakPolarHBondContact O-CB 3.28Å; C498-R502 PolarHBondContact O-N 2.84Å; C498-R502 VanDerWaalsContact O-N 3.13Å; L499-R502 VanDerWaalsContact CD1-NH1 3.35Å; L499-R502 WeakPolarHBondContact O-CB 3.24Å; L499-R502 PolarHBondContact O-N 3.15Å; L499-R502 VanDerWaalsContact O-N 3.15Å; A500-R502 PolarHBondContact O-N 3.1Å; R502-F506 PolarHBondContact O-N 3.48Å; R502-L507 HydrophobicContact CG-CB 4.37Å; R502-L507 WeakPolarHBondContact CG-O 3.41Å; R502-L507 PolarHBondContact O-N 3.47Å; R502-Y512 HydrophobicContact CB-CD2 3.71Å; R502-Y512 HydrophobicContact CB-CE2 4.06Å; R502-Y512 HydrophobicContact CB-CG 4.37Å; R502-Y512 HydrophobicContact CG-CD2 4.03Å; R502-Y512 HydrophobicContact CG-CG 4.22Å; R502-E538 IonicContact NH1-OE2 3.25Å; R502-E538 PolarHBondContact NH1-OE2 2.87Å
503	V	96.8	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.2	-53.9	-171.5	172.9	0	0	0	0	110.7	L499 A500 I501 T505 F506 L1027 Y1028	L499-V503 HydrophobicContact CD1-CG2 3.91Å; L499-V503 HydrophobicContact CG-CG2 4.28Å; L499-V503 WeakPolarHBondContact O-CB 3.2Å; L499-V503 VanDerWaalsContact O-CG2 3.29Å; L499-V503 WeakPolarHBondContact O-CG2 3.3Å; L499-V503 PolarHBondContact O-N 3.5Å; A500-V503 PolarHBondContact O-N 3.29Å; I501-V503 PolarHBondContact O-N 2.74Å; V503-T505 VanDerWaalsContact C-N 3.32Å; V503-T505 PolarHBondContact O-N 3.22Å; V503-F506 WeakPolarHBondContact O-CA 3.46Å; V503-F506 PolarHBondContact O-N 2.7Å; V503-L1027 HydrophobicContact CG1-CB 4.48Å; V503-L1027 HydrophobicContact CG2-CB 4.4Å; V503-Y1028 HydrophobicContact CG1-CD2 4.03Å; V503-Y1028 HydrophobicContact CG1-CG 4.48Å
504	N	95	Very high	95.4	Very high	25 Å²	25	40.5 Å²	40.5	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-23.6	-174.6	-69.5	-47.5	0	0	0	113.5	A500 F506 L1033 M1037	A500-N504 WeakPolarHBondContact O-CB 3.44Å; A500-N504 PolarHBondContact O-N 3.33Å; A500-N504 PolarHBondContact O-ND2 3.01Å; N504-F506 VanDerWaalsContact C-N 3.31Å; N504-L1033 PolarHBondContact ND2-O 3.35Å; N504-M1037 HydrophobicContact CB-CE 4.2Å; N504-M1037 HydrophobicContact CB-CG 3.76Å; N504-M1037 HydrophobicContact CB-SD 4.03Å; N504-M1037 VanDerWaalsContact ND2-CG 3.35Å; N504-M1037 WeakPolarHBondContact ND2-CG 3.49Å
505	T	95.6	Very high	95.7	Very high	68 Å²	68	40.7 Å²	40.7	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	4.4	169.7	68.3	0	0	0	0	113.8	I501 V503 L507 M1037	I501-T505 WeakPolarHBondContact O-CB 3.32Å; I501-T505 WeakPolarHBondContact O-CG2 3.43Å; I501-T505 PolarHBondContact O-N 2.94Å; I501-T505 PolarHBondContact O-OG1 3.5Å; V503-T505 VanDerWaalsContact C-N 3.32Å; V503-T505 PolarHBondContact O-N 3.22Å; T505-L507 VanDerWaalsContact C-N 3.28Å; T505-L507 PolarHBondContact O-N 2.78Å; T505-L507 WeakPolarHBondContact OG1-CD1 3.49Å; T505-L507 WeakPolarHBondContact OG1-CG 3.28Å; T505-M1037 HydrophobicContact CG2-CE 4.33Å
506	F	95.7	Very high	95.9	Very high	38 Å²	38	40.2 Å²	40.2	17%	0.167	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.5	179.8	-52.2	-94.4	0	0	0	114.8	R502 V503 N504 S508 L1001 R1004 F1005 Y1028	R502-F506 PolarHBondContact O-N 3.48Å; V503-F506 WeakPolarHBondContact O-CA 3.46Å; V503-F506 PolarHBondContact O-N 2.7Å; N504-F506 VanDerWaalsContact C-N 3.31Å; F506-S508 PolarHBondContact O-N 2.66Å; F506-L1001 HydrophobicContact CE1-CD2 3.82Å; F506-L1001 HydrophobicContact CZ-CD2 4.33Å; F506-R1004 VanDerWaalsContact CB-CZ 3.47Å; F506-R1004 VanDerWaalsContact CB-NH2 3.26Å; F506-R1004 VanDerWaalsContact CD1-CZ 3.45Å; F506-R1004 VanDerWaalsContact CD1-NH1 3.33Å; F506-R1004 VanDerWaalsContact CE2-NH1 3.29Å; F506-F1005 AromaticContact CD1-CE1 3.89Å; F506-F1005 HydrophobicContact CD1-CE1 3.89Å; F506-F1005 HydrophobicContact CD1-CZ 4.44Å; F506-F1005 HydrophobicContact CE1-CE1 4.25Å; F506-F1005 HydrophobicContact CE1-CZ 4.38Å; F506-Y1028 HydrophobicContact CD1-CE2 4.27Å; F506-Y1028 HydrophobicContact CE1-CD2 4.25Å; F506-Y1028 AromaticContact CE1-CE2 3.57Å; F506-Y1028 HydrophobicContact CE1-CE2 3.57Å; F506-Y1028 AromaticContact CE1-CZ 3.86Å; F506-Y1028 HydrophobicContact CE2-CE2 4.24Å; F506-Y1028 AromaticContact CZ-CE2 3.57Å; F506-Y1028 HydrophobicContact CZ-CE2 3.57Å; F506-Y1028 AromaticContact CZ-CZ 3.64Å; F506-Y1028 VanDerWaalsContact CZ-OH 3.28Å; F506-Y1028 WeakPolarHBondContact CZ-OH 3.45Å
507	L	96	Very high	96.1	Very high	37 Å²	37	47.9 Å²	47.9	19%	0.194	24%	0.238	C	C	.	.			trans	-75.1	121.6	178.8	-72.7	170.2	0	0	0	110.9	R502 T505 Q511 Y512 M515	R502-L507 HydrophobicContact CG-CB 4.37Å; R502-L507 WeakPolarHBondContact CG-O 3.41Å; R502-L507 PolarHBondContact O-N 3.47Å; T505-L507 VanDerWaalsContact C-N 3.28Å; T505-L507 PolarHBondContact O-N 2.78Å; T505-L507 WeakPolarHBondContact OG1-CD1 3.49Å; T505-L507 WeakPolarHBondContact OG1-CG 3.28Å; L507-Q511 HydrophobicContact CD2-CB 3.97Å; L507-Y512 HydrophobicContact CD1-CD2 4.44Å; L507-M515 HydrophobicContact CD1-CE 4.02Å; L507-M515 HydrophobicContact CD1-SD 4.24Å
508	S	96.5	Very high	96.3	Very high	17 Å²	17	50 Å²	50	12%	0.119	25%	0.251	C	S	.	.			trans	-63.7	155.1	170.5	83.6	0	0	0	0	110.7	F506 S510 Q511 Y512 M1008	F506-S508 PolarHBondContact O-N 2.66Å; S508-S510 PolarHBondContact O-N 2.66Å; S508-S510 VanDerWaalsContact O-N 3.11Å; S508-Q511 PolarHBondContact O-N 2.88Å; S508-Q511 WeakPolarHBondContact OG-CG 3.39Å; S508-Q511 PolarHBondContact OG-N 2.98Å; S508-Q511 PolarHBondContact OG-OE1 3.33Å; S508-Y512 PolarHBondContact O-N 3.16Å; S508-M1008 WeakPolarHBondContact CB-O 3.42Å
509	C	96.6	Very high	96.2	Very high	42 Å²	42	51.8 Å²	51.8	28%	0.284	26%	0.262	S	S	.	.	H	α-helix	trans	-51.6	-39.3	179.1	-62.4	0	0	0	0	112.2	H513 L531	C509-H513 VanDerWaalsContact O-CB 3.26Å; C509-H513 WeakPolarHBondContact O-CB 3.23Å; C509-H513 PolarHBondContact O-N 3.15Å; C509-L531 HydrophobicContact CB-CD1 4.11Å; C509-L531 HydrophobicContact CB-CD2 4.41Å
510	S	95.6	Very high	96	Very high	97 Å²	97	55.2 Å²	55.2	68%	0.678	28%	0.277	S	S	*	.	H	α-helix	trans	-70.7	-38.1	178.3	-53.6	0	0	0	0	113.1	S508 K514	S508-S510 PolarHBondContact O-N 2.66Å; S508-S510 VanDerWaalsContact O-N 3.11Å; S510-K514 WeakPolarHBondContact O-CB 3.37Å; S510-K514 PolarHBondContact O-N 2.98Å
511	Q	96.9	Very high	95.9	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-47.5	175	-71.2	168.9	-36.8	0	0	110.9	L507 S508 H513 K514 M515	L507-Q511 HydrophobicContact CD2-CB 3.97Å; S508-Q511 PolarHBondContact O-N 2.88Å; S508-Q511 WeakPolarHBondContact OG-CG 3.39Å; S508-Q511 PolarHBondContact OG-N 2.98Å; S508-Q511 PolarHBondContact OG-OE1 3.33Å; Q511-H513 PolarHBondContact O-N 3.44Å; Q511-K514 PolarHBondContact O-N 3.26Å; Q511-M515 PolarHBondContact O-N 3.31Å
512	Y	97.7	Very high	95.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-45.9	175.4	-177.9	-86.7	0	0	0	111.7	C498 R502 L507 S508 K514 M515 Y516 F528 Q529 L531 L534	C498-Y512 WeakPolarHBondContact CB-OH 3.37Å; R502-Y512 HydrophobicContact CB-CD2 3.71Å; R502-Y512 HydrophobicContact CB-CE2 4.06Å; R502-Y512 HydrophobicContact CB-CG 4.37Å; R502-Y512 HydrophobicContact CG-CD2 4.03Å; R502-Y512 HydrophobicContact CG-CG 4.22Å; L507-Y512 HydrophobicContact CD1-CD2 4.44Å; S508-Y512 PolarHBondContact O-N 3.16Å; Y512-K514 VanDerWaalsContact C-N 3.32Å; Y512-K514 PolarHBondContact O-N 3.27Å; Y512-M515 HydrophobicContact CD2-CE 3.8Å; Y512-M515 HydrophobicContact CE2-CE 3.89Å; Y512-M515 WeakPolarHBondContact O-CB 3.48Å; Y512-M515 PolarHBondContact O-N 3.17Å; Y512-M515 VanDerWaalsContact O-N 3.15Å; Y512-Y516 WeakPolarHBondContact O-CB 3.32Å; Y512-Y516 PolarHBondContact O-N 3.47Å; Y512-F528 HydrophobicContact CE2-CD1 4.38Å; Y512-Q529 WeakPolarHBondContact CE1-O 3.39Å; Y512-Q529 PolarHBondContact OH-O 2.92Å; Y512-L531 HydrophobicContact CD1-CD2 3.68Å; Y512-L531 HydrophobicContact CD1-CG 4.37Å; Y512-L531 HydrophobicContact CE1-CD2 4.3Å; Y512-L534 HydrophobicContact CD1-CD2 4.21Å; Y512-L534 HydrophobicContact CE1-CD2 3.63Å; Y512-L534 HydrophobicContact CE2-CD2 4.25Å
513	H	97.2	Very high	95.3	Very high	83 Å²	83	64.3 Å²	64.3	38%	0.384	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-37.3	177.7	-175.7	72	0	0	0	112.6	C509 Q511 Y516 R517 L531	C509-H513 VanDerWaalsContact O-CB 3.26Å; C509-H513 WeakPolarHBondContact O-CB 3.23Å; C509-H513 PolarHBondContact O-N 3.15Å; Q511-H513 PolarHBondContact O-N 3.44Å; H513-Y516 AromaticContact ND1-CD1 3.99Å; H513-R517 VanDerWaalsContact O-CB 3.28Å; H513-R517 WeakPolarHBondContact O-CB 3.36Å; H513-R517 PolarHBondContact O-N 3.35Å; H513-L531 HydrophobicContact CB-CD1 3.93Å; H513-L531 HydrophobicContact CB-CG 4.41Å
514	K	97.6	Very high	94.8	Very high	157 Å²	157	67.6 Å²	67.6	68%	0.683	38%	0.381	S	S	*	.	H	α-helix	trans	-63	-44.7	172.9	-172.7	178.8	179.4	-178.1	0	111.2	S510 Q511 Y512 R517 T518	S510-K514 WeakPolarHBondContact O-CB 3.37Å; S510-K514 PolarHBondContact O-N 2.98Å; Q511-K514 PolarHBondContact O-N 3.26Å; Y512-K514 VanDerWaalsContact C-N 3.32Å; Y512-K514 PolarHBondContact O-N 3.27Å; K514-R517 PolarHBondContact O-N 3.06Å; K514-T518 PolarHBondContact O-N 3.37Å; K514-T518 PolarHBondContact O-OG1 3.41Å; K514-T518 VanDerWaalsContact O-OG1 3.13Å
515	M	96.7	Very high	94.3	Very high	56 Å²	56	72.7 Å²	72.7	28%	0.276	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-54.1	175.8	-177.1	179.1	74.9	0	0	111.7	L507 Q511 Y512 R517 T518 V519 F528	L507-M515 HydrophobicContact CD1-CE 4.02Å; L507-M515 HydrophobicContact CD1-SD 4.24Å; Q511-M515 PolarHBondContact O-N 3.31Å; Y512-M515 HydrophobicContact CD2-CE 3.8Å; Y512-M515 HydrophobicContact CE2-CE 3.89Å; Y512-M515 WeakPolarHBondContact O-CB 3.48Å; Y512-M515 PolarHBondContact O-N 3.17Å; Y512-M515 VanDerWaalsContact O-N 3.15Å; M515-R517 VanDerWaalsContact C-N 3.34Å; M515-R517 PolarHBondContact O-N 3.25Å; M515-T518 PolarHBondContact O-N 3.18Å; M515-V519 HydrophobicContact CG-CG2 4.45Å; M515-V519 WeakPolarHBondContact O-CG2 3.48Å; M515-V519 PolarHBondContact O-N 3.28Å; M515-F528 HydrophobicContact CE-CD1 4.2Å; M515-F528 HydrophobicContact CE-CD2 4.23Å; M515-F528 HydrophobicContact CE-CE1 3.89Å; M515-F528 HydrophobicContact CE-CE2 3.93Å; M515-F528 HydrophobicContact CE-CG 4.36Å; M515-F528 HydrophobicContact CE-CZ 3.75Å; M515-F528 HydrophobicContact CG-CE2 4.37Å; M515-F528 HydrophobicContact SD-CE2 4.31Å; M515-F528 HydrophobicContact SD-CZ 4.34Å
516	Y	95.7	Very high	93.9	Very high	32 Å²	32	73.1 Å²	73.1	13%	0.125	40%	0.396	C	S	.	.	H	α-helix	trans	-50.6	-50.4	174.6	159	-98.4	0	0	0	111.8	Y512 H513 T518 K520 Q526 F528 P530	Y512-Y516 WeakPolarHBondContact O-CB 3.32Å; Y512-Y516 PolarHBondContact O-N 3.47Å; H513-Y516 AromaticContact ND1-CD1 3.99Å; Y516-T518 PolarHBondContact O-N 3.36Å; Y516-K520 HydrophobicContact CE2-CD 3.89Å; Y516-K520 VanDerWaalsContact O-CB 3.25Å; Y516-K520 WeakPolarHBondContact O-CB 3.49Å; Y516-K520 PolarHBondContact O-N 3.01Å; Y516-K520 WeakPolarHBondContact OH-CD 3.48Å; Y516-K520 PolarHBondContact OH-NZ 3.34Å; Y516-K520 VanDerWaalsContact OH-NZ 3.1Å; Y516-Q526 HydrophobicContact CE2-CG 4.35Å; Y516-F528 HydrophobicContact CD2-CB 4.13Å; Y516-F528 WeakPolarHBondContact CD2-O 3.44Å; Y516-F528 VanDerWaalsContact CE2-O 3.28Å; Y516-F528 WeakPolarHBondContact CE2-O 3.44Å; Y516-P530 HydrophobicContact CE1-CB 4.4Å; Y516-P530 HydrophobicContact CE2-CB 4.32Å
517	R	96.2	Very high	93.6	Very high	176 Å²	176	74 Å²	74	66%	0.664	40%	0.402	S	S	*	.	H	α-helix	trans	-64.2	-42.8	-177.9	-177.6	175.1	175.2	175.4	-2	112	H513 K514 M515 A521	H513-R517 VanDerWaalsContact O-CB 3.28Å; H513-R517 WeakPolarHBondContact O-CB 3.36Å; H513-R517 PolarHBondContact O-N 3.35Å; K514-R517 PolarHBondContact O-N 3.06Å; M515-R517 VanDerWaalsContact C-N 3.34Å; M515-R517 PolarHBondContact O-N 3.25Å; R517-A521 VanDerWaalsContact O-CB 3.24Å; R517-A521 WeakPolarHBondContact O-CB 3.37Å; R517-A521 PolarHBondContact O-N 3.22Å; R517-A521 VanDerWaalsContact O-N 3.09Å
518	T	95.6	Very high	93.5	Very high	77 Å²	77	74 Å²	74	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-51	177.6	-62.7	0	0	0	0	111.3	K514 M515 Y516 K520 A521 T522	K514-T518 PolarHBondContact O-N 3.37Å; K514-T518 PolarHBondContact O-OG1 3.41Å; K514-T518 VanDerWaalsContact O-OG1 3.13Å; M515-T518 PolarHBondContact O-N 3.18Å; Y516-T518 PolarHBondContact O-N 3.36Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 2.74Å; T518-A521 PolarHBondContact O-N 3.03Å; T518-A521 VanDerWaalsContact O-N 3.1Å; T518-T522 HydrophobicContact CG2-CG2 4.38Å; T518-T522 PolarHBondContact O-N 2.79Å; T518-T522 PolarHBondContact O-OG1 3.44Å
519	V	92.9	Very high	93.4	Very high	38 Å²	38	74.7 Å²	74.7	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-177.8	172	0	0	0	0	111.6	M515 A521 T522 S523 I527 F528	M515-V519 HydrophobicContact CG-CG2 4.45Å; M515-V519 WeakPolarHBondContact O-CG2 3.48Å; M515-V519 PolarHBondContact O-N 3.28Å; V519-A521 VanDerWaalsContact C-N 3.34Å; V519-T522 PolarHBondContact O-OG1 2.65Å; V519-S523 WeakPolarHBondContact O-CB 3.46Å; V519-S523 PolarHBondContact O-N 2.76Å; V519-S523 PolarHBondContact O-OG 2.67Å; V519-I527 HydrophobicContact CG1-CB 4.42Å; V519-I527 HydrophobicContact CG1-CD1 4.13Å; V519-F528 HydrophobicContact CB-CD2 4.35Å; V519-F528 HydrophobicContact CG1-CD2 4.22Å; V519-F528 HydrophobicContact CG1-CE2 4.47Å; V519-F528 HydrophobicContact CG2-CD2 4.38Å; V519-F528 HydrophobicContact CG2-CE2 4.26Å
520	K	92.6	Very high	93.3	Very high	74 Å²	74	73.2 Å²	73.2	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-31.4	176.6	-175.4	167.2	174	172.2	0	112.8	Y516 T518 G524 Q526	Y516-K520 HydrophobicContact CE2-CD 3.89Å; Y516-K520 VanDerWaalsContact O-CB 3.25Å; Y516-K520 WeakPolarHBondContact O-CB 3.49Å; Y516-K520 PolarHBondContact O-N 3.01Å; Y516-K520 WeakPolarHBondContact OH-CD 3.48Å; Y516-K520 PolarHBondContact OH-NZ 3.34Å; Y516-K520 VanDerWaalsContact OH-NZ 3.1Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 2.74Å; K520-G524 WeakPolarHBondContact O-CA 3.2Å; K520-G524 PolarHBondContact O-N 2.87Å; K520-Q526 HydrophobicContact CD-CB 4.35Å; K520-Q526 HydrophobicContact CD-CG 4.49Å
521	A	93.9	Very high	93.3	Very high	83 Å²	83	69.9 Å²	69.9	69%	0.686	37%	0.366	S	S	*	.	H	α-helix	trans	-76.4	-35.8	176.5	0	0	0	0	0	113.3	R517 T518 V519	R517-A521 VanDerWaalsContact O-CB 3.24Å; R517-A521 WeakPolarHBondContact O-CB 3.37Å; R517-A521 PolarHBondContact O-N 3.22Å; R517-A521 VanDerWaalsContact O-N 3.09Å; T518-A521 PolarHBondContact O-N 3.03Å; T518-A521 VanDerWaalsContact O-N 3.1Å; V519-A521 VanDerWaalsContact C-N 3.34Å
522	T	92.4	Very high	93.3	Very high	114 Å²	114	72.3 Å²	72.3	70%	0.699	38%	0.377	S	S	*	.	H	α-helix	trans	-84.5	-37.1	-178.6	55.2	0	0	0	0	113.6	T518 V519	T518-T522 HydrophobicContact CG2-CG2 4.38Å; T518-T522 PolarHBondContact O-N 2.79Å; T518-T522 PolarHBondContact O-OG1 3.44Å; V519-T522 PolarHBondContact O-OG1 2.65Å
523	S	87.9	Confident	93.1	Very high	54 Å²	54	74.4 Å²	74.4	38%	0.378	39%	0.39	S	S	.	.	H	α-helix	trans	-90	-16.8	-179.1	68.6	0	0	0	0	114.3	V519 R525	V519-S523 WeakPolarHBondContact O-CB 3.46Å; V519-S523 PolarHBondContact O-N 2.76Å; V519-S523 PolarHBondContact O-OG 2.67Å; S523-R525 PolarHBondContact O-N 3.36Å; S523-R525 VanDerWaalsContact O-N 3.08Å; S523-R525 PolarHBondContact OG-N 3.43Å; S523-R525 VanDerWaalsContact OG-N 3.15Å; S523-R525 PolarHBondContact OG-O 2.93Å
524	G	85.8	Confident	93.1	Very high	69 Å²	69	70.4 Å²	70.4	71%	0.711	37%	0.372	S	S	*	.	S	Bend	trans	67.2	-5.2	-168.2	0	0	0	0	0	115	K520	K520-G524 WeakPolarHBondContact O-CA 3.2Å; K520-G524 PolarHBondContact O-N 2.87Å
525	R	84.9	Confident	92.9	Very high	133 Å²	133	70 Å²	70	50%	0.502	37%	0.366	S	S	.	.	S	Bend	trans	-106.1	147.4	-176.9	-61.4	-174.5	-176.2	-155.5	0.7	111.2	F491 S523 I527	F491-R525 VanDerWaalsContact CD1-NH1 3.32Å; F491-R525 VanDerWaalsContact CE1-NH1 3.28Å; S523-R525 PolarHBondContact O-N 3.36Å; S523-R525 VanDerWaalsContact O-N 3.08Å; S523-R525 PolarHBondContact OG-N 3.43Å; S523-R525 VanDerWaalsContact OG-N 3.15Å; S523-R525 PolarHBondContact OG-O 2.93Å; R525-I527 HydrophobicContact CB-CG1 4.32Å; R525-I527 PolarHBondContact O-N 3.32Å
526	Q	88	Confident	92.8	Very high	76 Å²	76	70.3 Å²	70.3	36%	0.355	38%	0.377	S	S	.	.			trans	-90	81.6	173.1	-177.5	167.7	-48.7	0	0	110	G492 Y516 K520 F528	G492-Q526 WeakPolarHBondContact CA-O 3.43Å; Y516-Q526 HydrophobicContact CE2-CG 4.35Å; K520-Q526 HydrophobicContact CD-CB 4.35Å; K520-Q526 HydrophobicContact CD-CG 4.49Å; Q526-F528 VanDerWaalsContact CG-O 3.27Å; Q526-F528 WeakPolarHBondContact CG-O 3.43Å
527	I	89.4	Confident	92.7	Very high	58 Å²	58	69.9 Å²	69.9	30%	0.297	38%	0.38	S	S	.	.			trans	-76.5	-48.1	177.2	-57.7	173.6	0	0	0	110.5	L493 V519 R525	L493-I527 HydrophobicContact CD1-CG2 4.43Å; L493-I527 HydrophobicContact CG-CG2 4.33Å; L493-I527 PolarHBondContact N-O 2.85Å; V519-I527 HydrophobicContact CG1-CB 4.42Å; V519-I527 HydrophobicContact CG1-CD1 4.13Å; R525-I527 HydrophobicContact CB-CG1 4.32Å; R525-I527 PolarHBondContact O-N 3.32Å
528	F	93.1	Very high	92.7	Very high	35 Å²	35	61.9 Å²	61.9	15%	0.154	35%	0.35	C	S	.	.	S	Bend	trans	-92	147.8	173.6	-68.8	-69.1	0	0	0	111	L493 I501 Y512 M515 Y516 V519 Q526	L493-F528 HydrophobicContact CD1-CD1 4.13Å; L493-F528 HydrophobicContact CD1-CE1 3.92Å; I501-F528 HydrophobicContact CD1-CE1 4.31Å; Y512-F528 HydrophobicContact CE2-CD1 4.38Å; M515-F528 HydrophobicContact CE-CD1 4.2Å; M515-F528 HydrophobicContact CE-CD2 4.23Å; M515-F528 HydrophobicContact CE-CE1 3.89Å; M515-F528 HydrophobicContact CE-CE2 3.93Å; M515-F528 HydrophobicContact CE-CG 4.36Å; M515-F528 HydrophobicContact CE-CZ 3.75Å; M515-F528 HydrophobicContact CG-CE2 4.37Å; M515-F528 HydrophobicContact SD-CE2 4.31Å; M515-F528 HydrophobicContact SD-CZ 4.34Å; Y516-F528 HydrophobicContact CD2-CB 4.13Å; Y516-F528 WeakPolarHBondContact CD2-O 3.44Å; Y516-F528 VanDerWaalsContact CE2-O 3.28Å; Y516-F528 WeakPolarHBondContact CE2-O 3.44Å; V519-F528 HydrophobicContact CB-CD2 4.35Å; V519-F528 HydrophobicContact CG1-CD2 4.22Å; V519-F528 HydrophobicContact CG1-CE2 4.47Å; V519-F528 HydrophobicContact CG2-CD2 4.38Å; V519-F528 HydrophobicContact CG2-CE2 4.26Å; Q526-F528 VanDerWaalsContact CG-O 3.27Å; Q526-F528 WeakPolarHBondContact CG-O 3.43Å
529	Q	94.2	Very high	92.6	Very high	32 Å²	32	64.9 Å²	64.9	15%	0.15	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-86.9	152.2	178.7	-56.8	-57.5	-12.4	0	0	112.6	L493 P495 C498 Y512 L534	L493-Q529 VanDerWaalsContact O-CG 3.23Å; L493-Q529 WeakPolarHBondContact O-CG 3.32Å; L493-Q529 PolarHBondContact O-NE2 3.14Å; P495-Q529 HydrophobicContact CG-CG 4.43Å; C498-Q529 HydrophobicContact CB-CB 4.44Å; C498-Q529 PolarHBondContact SG-N 3.01Å; C498-Q529 VanDerWaalsContact SG-N 3.38Å; Y512-Q529 WeakPolarHBondContact CE1-O 3.39Å; Y512-Q529 PolarHBondContact OH-O 2.92Å; Q529-L534 HydrophobicContact CB-CD1 3.71Å
530	P	95.8	Very high	92.7	Very high	12 Å²	12	65.6 Å²	65.6	8%	0.078	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73.4	152.6	179.2	30.2	-35.4	0	0	0	112.3	Y516 H532 T533 L534	Y516-P530 HydrophobicContact CE1-CB 4.4Å; Y516-P530 HydrophobicContact CE2-CB 4.32Å; P530-H532 VanDerWaalsContact CG-NE2 3.34Å; P530-H532 WeakPolarHBondContact CG-NE2 3.48Å; P530-H532 PolarHBondContact O-N 3.44Å; P530-T533 PolarHBondContact O-N 2.88Å; P530-L534 PolarHBondContact O-N 2.89Å
531	L	95.8	Very high	92.8	Very high	26 Å²	26	63 Å²	63	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-54.3	-24.7	-175.8	-75.4	-179.8	0	0	0	115.6	C509 Y512 H513 L534 R535	C509-L531 HydrophobicContact CB-CD1 4.11Å; C509-L531 HydrophobicContact CB-CD2 4.41Å; Y512-L531 HydrophobicContact CD1-CD2 3.68Å; Y512-L531 HydrophobicContact CD1-CG 4.37Å; Y512-L531 HydrophobicContact CE1-CD2 4.3Å; H513-L531 HydrophobicContact CB-CD1 3.93Å; H513-L531 HydrophobicContact CB-CG 4.41Å; L531-L534 HydrophobicContact CD2-CD2 4.45Å; L531-R535 VanDerWaalsContact O-CG 3.25Å; L531-R535 WeakPolarHBondContact O-CG 3.17Å; L531-R535 PolarHBondContact O-N 2.76Å; L531-R535 VanDerWaalsContact O-N 3.07Å
532	H	95.4	Very high	93	Very high	134 Å²	134	60.2 Å²	60.2	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-72.1	-35.7	176.7	53.2	-110.5	0	0	0	112.3	P530 R535 A536	P530-H532 VanDerWaalsContact CG-NE2 3.34Å; P530-H532 WeakPolarHBondContact CG-NE2 3.48Å; P530-H532 PolarHBondContact O-N 3.44Å; H532-R535 PolarHBondContact O-N 3.41Å; H532-A536 PolarHBondContact O-N 2.96Å; H532-A536 VanDerWaalsContact O-N 3.14Å
533	T	94.9	Very high	93.3	Very high	43 Å²	43	55.1 Å²	55.1	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-70.2	-39.3	175.5	-41.4	0	0	0	0	110.6	P495 P530 R535 A536 A537	P495-T533 HydrophobicContact CB-CG2 3.97Å; P495-T533 HydrophobicContact CG-CG2 3.6Å; P530-T533 PolarHBondContact O-N 2.88Å; T533-R535 VanDerWaalsContact C-N 3.26Å; T533-R535 PolarHBondContact O-N 3.48Å; T533-A536 WeakPolarHBondContact O-CB 3.45Å; T533-A536 PolarHBondContact O-N 2.87Å; T533-A536 VanDerWaalsContact O-N 3.1Å; T533-A537 PolarHBondContact O-N 2.86Å
534	L	95.8	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-33.9	172	-84	62.8	0	0	0	112	C498 L499 Y512 Q529 P530 L531 A536 E538	C498-L534 HydrophobicContact CB-CD1 3.82Å; C498-L534 HydrophobicContact CB-CD2 4.38Å; C498-L534 HydrophobicContact CB-CG 4.26Å; L499-L534 HydrophobicContact CB-CG 4.47Å; Y512-L534 HydrophobicContact CD1-CD2 4.21Å; Y512-L534 HydrophobicContact CE1-CD2 3.63Å; Y512-L534 HydrophobicContact CE2-CD2 4.25Å; Q529-L534 HydrophobicContact CB-CD1 3.71Å; P530-L534 PolarHBondContact O-N 2.89Å; L531-L534 HydrophobicContact CD2-CD2 4.45Å; L534-A536 VanDerWaalsContact C-N 3.32Å; L534-E538 WeakPolarHBondContact O-CB 3.47Å; L534-E538 PolarHBondContact O-N 3.49Å
535	R	95.1	Very high	94.1	Very high	149 Å²	149	55.3 Å²	55.3	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-75.4	-16.5	174.9	-75.3	171.1	-173.6	168.4	-1.1	114.4	L531 H532 T533	L531-R535 VanDerWaalsContact O-CG 3.25Å; L531-R535 WeakPolarHBondContact O-CG 3.17Å; L531-R535 PolarHBondContact O-N 2.76Å; L531-R535 VanDerWaalsContact O-N 3.07Å; H532-R535 PolarHBondContact O-N 3.41Å; T533-R535 VanDerWaalsContact C-N 3.26Å; T533-R535 PolarHBondContact O-N 3.48Å
536	A	94.6	Very high	94.6	Very high	61 Å²	61	51 Å²	51	50%	0.504	26%	0.256	S	S	.	.	H	α-helix	trans	-80	-51.8	168.8	0	0	0	0	0	109.1	H532 T533 L534 E538 K539	H532-A536 PolarHBondContact O-N 2.96Å; H532-A536 VanDerWaalsContact O-N 3.14Å; T533-A536 WeakPolarHBondContact O-CB 3.45Å; T533-A536 PolarHBondContact O-N 2.87Å; T533-A536 VanDerWaalsContact O-N 3.1Å; L534-A536 VanDerWaalsContact C-N 3.32Å; A536-E538 VanDerWaalsContact C-N 3.31Å; A536-E538 PolarHBondContact O-N 3.03Å; A536-K539 VanDerWaalsContact O-CB 3.3Å; A536-K539 WeakPolarHBondContact O-CB 3.32Å; A536-K539 PolarHBondContact O-N 3.4Å; A536-K539 VanDerWaalsContact O-N 3.08Å
537	A	93.1	Very high	95	Very high	23 Å²	23	54.2 Å²	54.2	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-31.7	177.9	0	0	0	0	0	113.9	P495 T533 K539	P495-A537 HydrophobicContact CB-CB 3.85Å; T533-A537 PolarHBondContact O-N 2.86Å; A537-K539 PolarHBondContact O-N 3.35Å
538	E	95.3	Very high	95.4	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.042	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.4	176.4	88.3	-173.8	-167.7	0	0	113.7	L499 R502 L534 A536 L542 K1023 L1027	L499-E538 HydrophobicContact CD1-CB 4.16Å; L499-E538 HydrophobicContact CD2-CB 3.61Å; R502-E538 IonicContact NH1-OE2 3.25Å; R502-E538 PolarHBondContact NH1-OE2 2.87Å; L534-E538 WeakPolarHBondContact O-CB 3.47Å; L534-E538 PolarHBondContact O-N 3.49Å; A536-E538 VanDerWaalsContact C-N 3.31Å; A536-E538 PolarHBondContact O-N 3.03Å; E538-L542 WeakPolarHBondContact O-CD1 3.34Å; E538-L542 WeakPolarHBondContact O-CG 3.32Å; E538-K1023 IonicContact OE1-NZ 3.19Å; E538-K1023 PolarHBondContact OE1-NZ 2.99Å; E538-L1027 HydrophobicContact CB-CD1 3.96Å; E538-L1027 HydrophobicContact CB-CD2 4.16Å; E538-L1027 HydrophobicContact CG-CD1 4.3Å
539	K	94.8	Very high	95.5	Very high	140 Å²	140	55.6 Å²	55.6	61%	0.609	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-44.2	176.6	-73.2	-173.1	170.4	-167.7	0	113.3	A536 A537 L541 L542	A536-K539 VanDerWaalsContact O-CB 3.3Å; A536-K539 WeakPolarHBondContact O-CB 3.32Å; A536-K539 PolarHBondContact O-N 3.4Å; A536-K539 VanDerWaalsContact O-N 3.08Å; A537-K539 PolarHBondContact O-N 3.35Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 2.93Å; K539-L542 PolarHBondContact O-N 2.92Å; K539-L542 VanDerWaalsContact O-N 3.15Å
540	E	93.9	Very high	95.7	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-43.3	-175.5	173.7	168.3	-131	0	0	111.4	L542 F545 I1051	E540-L542 PolarHBondContact O-N 3.37Å; E540-L542 VanDerWaalsContact O-N 3.14Å; E540-F545 HydrophobicContact CB-CD1 4.12Å; E540-F545 HydrophobicContact CB-CE1 3.95Å; E540-F545 HydrophobicContact CB-CZ 4.21Å; E540-F545 HydrophobicContact CG-CD1 4.06Å; E540-F545 HydrophobicContact CG-CE1 3.78Å; E540-F545 HydrophobicContact CG-CZ 4.41Å; E540-I1051 HydrophobicContact CG-CD1 4.47Å
541	L	95.8	Very high	95.7	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.105	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	7.9	179.6	-53.6	174.9	0	0	0	114.2	L499 K539 W1026 L1027 Y1032 L1033	L499-L541 HydrophobicContact CD2-CD1 4.14Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 2.93Å; L541-W1026 PolarHBondContact O-NE1 3.34Å; L541-L1027 HydrophobicContact CB-CD2 3.89Å; L541-L1027 HydrophobicContact CD1-CD2 4.4Å; L541-Y1032 HydrophobicContact CD1-CD1 4.06Å; L541-Y1032 HydrophobicContact CD2-CD1 3.6Å; L541-Y1032 HydrophobicContact CD2-CE1 4.24Å; L541-Y1032 HydrophobicContact CD2-CG 4.28Å; L541-Y1032 HydrophobicContact CG-CD1 4.43Å; L541-L1033 HydrophobicContact CD1-CD1 3.69Å; L541-L1033 HydrophobicContact CD1-CD2 3.7Å; L541-L1033 HydrophobicContact CD1-CG 3.59Å
542	L	97.3	Very high	95.7	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.126	31%	0.308	C	S	.	.	S	Bend	trans	-112.8	146.7	-179.6	-73.7	170.1	0	0	0	111.5	E538 K539 E540 G544 F588 K1023 W1026 L1027	E538-L542 WeakPolarHBondContact O-CD1 3.34Å; E538-L542 WeakPolarHBondContact O-CG 3.32Å; K539-L542 PolarHBondContact O-N 2.92Å; K539-L542 VanDerWaalsContact O-N 3.15Å; E540-L542 PolarHBondContact O-N 3.37Å; E540-L542 VanDerWaalsContact O-N 3.14Å; L542-G544 PolarHBondContact O-N 3.32Å; L542-F588 HydrophobicContact CD2-CZ 4.46Å; L542-K1023 HydrophobicContact CD1-CD 3.67Å; L542-K1023 HydrophobicContact CD1-CG 3.64Å; L542-K1023 HydrophobicContact CD2-CG 3.62Å; L542-K1023 HydrophobicContact CG-CG 4.32Å; L542-W1026 HydrophobicContact CD2-CB 4.39Å; L542-W1026 HydrophobicContact CD2-CG 4.22Å; L542-L1027 HydrophobicContact CD2-CD2 4.39Å; L542-L1027 HydrophobicContact CD2-CG 4.27Å; L542-L1027 HydrophobicContact CG-CD2 4.36Å
543	P	98	Very high	95.8	Very high	7 Å²	7	57.7 Å²	57.7	5%	0.045	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.8	171	-26	36.5	0	0	0	111.3	F588 V592 A593 A596 W1026	P543-F588 HydrophobicContact CB-CB 4.42Å; P543-F588 HydrophobicContact CB-CD1 3.58Å; P543-F588 HydrophobicContact CB-CE1 3.91Å; P543-F588 HydrophobicContact CB-CG 4.06Å; P543-F588 HydrophobicContact CG-CB 4.44Å; P543-F588 HydrophobicContact CG-CD1 3.57Å; P543-F588 HydrophobicContact CG-CD2 4.05Å; P543-F588 HydrophobicContact CG-CE1 3.61Å; P543-F588 HydrophobicContact CG-CE2 4.1Å; P543-F588 HydrophobicContact CG-CG 3.78Å; P543-F588 HydrophobicContact CG-CZ 3.88Å; P543-V592 HydrophobicContact CB-CB 4.43Å; P543-V592 HydrophobicContact CB-CG1 3.86Å; P543-A593 HydrophobicContact CG-CB 4.41Å; P543-A596 HydrophobicContact CB-CB 4.36Å; P543-A596 HydrophobicContact CG-CB 4.03Å; P543-W1026 HydrophobicContact CG-CD2 4.23Å; P543-W1026 HydrophobicContact CG-CH2 4.16Å; P543-W1026 HydrophobicContact CG-CZ2 3.84Å; P543-W1026 HydrophobicContact CG-CZ3 4.47Å
544	G	95.7	Very high	95.9	Very high	23 Å²	23	56.6 Å²	56.6	24%	0.237	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.7	9.7	-178.7	0	0	0	0	0	115.1	L542	L542-G544 PolarHBondContact O-N 3.32Å
545	F	96.1	Very high	95.9	Very high	104 Å²	104	63.9 Å²	63.9	46%	0.456	33%	0.326	S	S	.	.	S	Bend	trans	-100.2	-59.9	179.7	-172.7	-104.2	0	0	0	114	E540	E540-F545 HydrophobicContact CB-CD1 4.12Å; E540-F545 HydrophobicContact CB-CE1 3.95Å; E540-F545 HydrophobicContact CB-CZ 4.21Å; E540-F545 HydrophobicContact CG-CD1 4.06Å; E540-F545 HydrophobicContact CG-CE1 3.78Å; E540-F545 HydrophobicContact CG-CZ 4.41Å
546	H	95.3	Very high	95.9	Very high	43 Å²	43	64.9 Å²	64.9	20%	0.199	34%	0.342	C	S	.	.	S	Bend	trans	-75	146.1	-175.5	-53.7	-77.1	0	0	0	112.8	V595 K599	H546-V595 HydrophobicContact CB-CG1 4.3Å; H546-K599 HydrophobicContact CB-CG 4.42Å
547	Q	96.1	Very high	96	Very high	143 Å²	143	63.2 Å²	63.2	67%	0.668	33%	0.326	S	S	*	.			trans	-80.5	144.6	171.3	-176.7	175.1	-13.8	0	0	111.1	Y561	Q547-Y561 HydrophobicContact CB-CD2 4.31Å; Q547-Y561 HydrophobicContact CB-CE2 4.14Å; Q547-Y561 HydrophobicContact CG-CD1 4.47Å; Q547-Y561 HydrophobicContact CG-CE1 4.31Å
548	F	96.8	Very high	96	Very high	22 Å²	22	65.8 Å²	65.8	10%	0.096	34%	0.342	C	S	.	.			trans	-158.6	167.4	177.8	65.1	-89.1	0	0	0	110.1	W550 Y561 D591 V592 V595 L721 L723	F548-W550 AromaticContact CD2-CD1 3.85Å; F548-W550 AromaticContact CD2-NE1 3.73Å; F548-W550 AromaticContact CE2-CD1 3.69Å; F548-W550 AromaticContact CE2-NE1 3.45Å; F548-Y561 VanDerWaalsContact CE1-CB 3.41Å; F548-D591 WeakPolarHBondContact CZ-OD2 3.33Å; F548-V592 HydrophobicContact CE1-CB 4.5Å; F548-V592 HydrophobicContact CE1-CG1 4.4Å; F548-V592 HydrophobicContact CE1-CG2 4.16Å; F548-V592 HydrophobicContact CZ-CG2 3.89Å; F548-V595 HydrophobicContact CB-CG1 4.28Å; F548-V595 HydrophobicContact CB-CG2 3.96Å; F548-V595 HydrophobicContact CD1-CB 4.09Å; F548-V595 HydrophobicContact CD1-CG1 3.79Å; F548-V595 HydrophobicContact CD1-CG2 3.69Å; F548-V595 HydrophobicContact CD2-CG2 3.92Å; F548-V595 HydrophobicContact CE1-CB 4.4Å; F548-V595 HydrophobicContact CE1-CG1 4.45Å; F548-V595 HydrophobicContact CE1-CG2 4.08Å; F548-V595 HydrophobicContact CE2-CG2 4.32Å; F548-V595 HydrophobicContact CG-CB 4.43Å; F548-V595 HydrophobicContact CG-CG1 4.24Å; F548-V595 HydrophobicContact CG-CG2 3.58Å; F548-V595 HydrophobicContact CZ-CG2 4.38Å; F548-L721 HydrophobicContact CB-CD1 3.92Å; F548-L721 HydrophobicContact CD2-CD1 3.64Å; F548-L721 HydrophobicContact CG-CD1 4.08Å; F548-L723 HydrophobicContact CB-CD1 4.31Å
549	E	96.8	Very high	96	Very high	100 Å²	100	73.2 Å²	73.2	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	163.5	171.7	62.4	171.9	-136.8	0	0	111.6	Q551 I722	E549-Q551 PolarHBondContact OE1-NE2 2.95Å; E549-I722 HydrophobicContact CG-CB 3.71Å; E549-I722 HydrophobicContact CG-CG1 4.07Å; E549-I722 PolarHBondContact N-O 3.06Å; E549-I722 VanDerWaalsContact N-O 3.16Å; E549-I722 PolarHBondContact O-N 3.44Å
550	W	97.8	Very high	96	Very high	26 Å²	26	68.5 Å²	68.5	10%	0.098	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	176.3	-73.3	89.7	0	0	0	110.7	F548 P552 A553 L554 D591 M716 R720 L721 F734	F548-W550 AromaticContact CD2-CD1 3.85Å; F548-W550 AromaticContact CD2-NE1 3.73Å; F548-W550 AromaticContact CE2-CD1 3.69Å; F548-W550 AromaticContact CE2-NE1 3.45Å; W550-P552 CarbonylContact C-O 3.55Å; W550-P552 CarbonylContact O-C 3.24Å; W550-P552 VanDerWaalsContact O-C 3.29Å; W550-A553 PolarHBondContact O-N 2.75Å; W550-L554 HydrophobicContact CB-CD2 4.27Å; W550-L554 HydrophobicContact CB-CG 3.93Å; W550-L554 HydrophobicContact CD2-CD1 3.92Å; W550-L554 HydrophobicContact CD2-CD2 3.81Å; W550-L554 HydrophobicContact CD2-CG 3.88Å; W550-L554 HydrophobicContact CE3-CD2 3.81Å; W550-L554 HydrophobicContact CE3-CG 4.4Å; W550-L554 HydrophobicContact CG-CD1 3.92Å; W550-L554 HydrophobicContact CG-CD2 4.04Å; W550-L554 HydrophobicContact CG-CG 3.66Å; W550-L554 HydrophobicContact CZ2-CD1 4.36Å; W550-L554 HydrophobicContact CZ3-CD2 4.36Å; W550-D591 HydrophobicContact CZ2-CB 3.88Å; W550-M716 HydrophobicContact CH2-CB 3.76Å; W550-M716 HydrophobicContact CH2-CG 3.48Å; W550-M716 VanDerWaalsContact CH2-CG 3.48Å; W550-M716 HydrophobicContact CH2-SD 3.69Å; W550-M716 HydrophobicContact CZ2-CB 4.46Å; W550-M716 HydrophobicContact CZ2-CG 3.69Å; W550-M716 HydrophobicContact CZ2-SD 3.56Å; W550-M716 VanDerWaalsContact CZ2-SD 3.56Å; W550-M716 HydrophobicContact CZ3-CB 4.07Å; W550-M716 HydrophobicContact CZ3-CG 4.06Å; W550-R720 WeakPolarHBondContact CA-O 3.45Å; W550-L721 HydrophobicContact CD2-CB 4.16Å; W550-L721 HydrophobicContact CD2-CD1 4.2Å; W550-L721 HydrophobicContact CE3-CB 4Å; W550-L721 HydrophobicContact CH2-CB 3.95Å; W550-L721 HydrophobicContact CZ2-CB 4.06Å; W550-L721 HydrophobicContact CZ2-CD1 4.04Å; W550-L721 HydrophobicContact CZ3-CB 3.91Å; W550-F734 AromaticContact CH2-CD2 3.59Å; W550-F734 HydrophobicContact CH2-CD2 3.59Å; W550-F734 AromaticContact CH2-CE2 3.5Å; W550-F734 HydrophobicContact CH2-CE2 3.5Å; W550-F734 HydrophobicContact CZ2-CE2 4.22Å; W550-F734 HydrophobicContact CZ3-CD2 4.09Å; W550-F734 HydrophobicContact CZ3-CE2 4.17Å
551	Q	95.5	Very high	96	Very high	71 Å²	71	70.2 Å²	70.2	33%	0.332	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112	-179.4	-61.8	-174.6	2.5	0	0	110.7	E549 S719 R720 I722	E549-Q551 PolarHBondContact OE1-NE2 2.95Å; Q551-S719 PolarHBondContact N-OG 3.01Å; Q551-S719 PolarHBondContact O-OG 2.91Å; Q551-R720 HydrophobicContact CB-CG 4.1Å; Q551-R720 PolarHBondContact N-O 3.43Å; Q551-R720 WeakPolarHBondContact O-CG 3.15Å; Q551-R720 PolarHBondContact O-N 2.86Å; Q551-R720 VanDerWaalsContact O-N 3.09Å; Q551-I722 HydrophobicContact CG-CG1 4.03Å
552	P	96.5	Very high	95.9	Very high	92 Å²	92	74.4 Å²	74.4	60%	0.597	39%	0.389	S	S	*	.	S	Bend	cis	-66.2	164.1	-8.8	31.1	-37.2	0	0	0	112.6	W550 S719	W550-P552 CarbonylContact C-O 3.55Å; W550-P552 CarbonylContact O-C 3.24Å; W550-P552 VanDerWaalsContact O-C 3.29Å; P552-S719 PolarHBondContact O-OG 2.86Å
553	A	96.8	Very high	95.8	Very high	60 Å²	60	74.6 Å²	74.6	50%	0.496	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-56.1	142	175.5	0	0	0	0	0	111.8	W550 K555	W550-A553 PolarHBondContact O-N 2.75Å; A553-K555 PolarHBondContact O-N 2.67Å
554	L	97.4	Very high	95.7	Very high	20 Å²	20	75.7 Å²	75.7	11%	0.105	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-69.8	124.3	-173.6	-67	-175.9	0	0	0	112	W550 N556 V557 D591 A715 M716	W550-L554 HydrophobicContact CB-CD2 4.27Å; W550-L554 HydrophobicContact CB-CG 3.93Å; W550-L554 HydrophobicContact CD2-CD1 3.92Å; W550-L554 HydrophobicContact CD2-CD2 3.81Å; W550-L554 HydrophobicContact CD2-CG 3.88Å; W550-L554 HydrophobicContact CE3-CD2 3.81Å; W550-L554 HydrophobicContact CE3-CG 4.4Å; W550-L554 HydrophobicContact CG-CD1 3.92Å; W550-L554 HydrophobicContact CG-CD2 4.04Å; W550-L554 HydrophobicContact CG-CG 3.66Å; W550-L554 HydrophobicContact CZ2-CD1 4.36Å; W550-L554 HydrophobicContact CZ3-CD2 4.36Å; L554-N556 PolarHBondContact O-N 3.28Å; L554-V557 HydrophobicContact CB-CB 3.77Å; L554-V557 HydrophobicContact CB-CG2 4.04Å; L554-V557 HydrophobicContact CD1-CB 4.23Å; L554-V557 HydrophobicContact CD1-CG1 4.24Å; L554-V557 HydrophobicContact CD1-CG2 4.33Å; L554-V557 PolarHBondContact O-N 3.06Å; L554-D591 HydrophobicContact CD1-CB 4.17Å; L554-A715 HydrophobicContact CB-CB 4.38Å; L554-A715 HydrophobicContact CD2-CB 4.31Å; L554-A715 WeakPolarHBondContact CD2-O 3.23Å; L554-M716 HydrophobicContact CD1-CG 3.78Å; L554-M716 HydrophobicContact CD2-CG 3.99Å
555	K	95.6	Very high	95.8	Very high	153 Å²	153	77 Å²	77	67%	0.665	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.8	175.3	-63.1	170.2	-174.2	164.7	0	110.1	A553 V557	A553-K555 PolarHBondContact O-N 2.67Å; K555-V557 PolarHBondContact O-N 3.19Å
556	N	94.6	Very high	95.8	Very high	170 Å²	170	74.4 Å²	74.4	91%	0.909	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	16.2	177.9	-54	-21.4	0	0	0	116.1	L554	L554-N556 PolarHBondContact O-N 3.28Å
557	V	96.1	Very high	95.8	Very high	25 Å²	25	75.8 Å²	75.8	15%	0.152	40%	0.404	C	S	.	.			trans	-116.3	142.4	175.1	-174.3	0	0	0	0	109.5	L554 K555 E712 A715	L554-V557 HydrophobicContact CB-CB 3.77Å; L554-V557 HydrophobicContact CB-CG2 4.04Å; L554-V557 HydrophobicContact CD1-CB 4.23Å; L554-V557 HydrophobicContact CD1-CG1 4.24Å; L554-V557 HydrophobicContact CD1-CG2 4.33Å; L554-V557 PolarHBondContact O-N 3.06Å; K555-V557 PolarHBondContact O-N 3.19Å; V557-E712 HydrophobicContact CG2-CG 3.9Å; V557-A715 HydrophobicContact CG2-CB 4.5Å
558	S	94.9	Very high	95.5	Very high	77 Å²	77	69 Å²	69	54%	0.538	37%	0.372	S	S	.	.			trans	-80.4	133.9	179.8	179	0	0	0	0	112.2	S560 R589	S558-S560 PolarHBondContact O-N 3.45Å; S558-S560 VanDerWaalsContact O-N 3.12Å; S558-S560 PolarHBondContact OG-N 3.1Å; S558-R589 PolarHBondContact O-NH1 3.21Å; S558-R589 PolarHBondContact O-NH2 2.84Å; S558-R589 VanDerWaalsContact O-NH2 3.1Å
559	E	93.6	Very high	95.1	Very high	165 Å²	165	69.3 Å²	69.3	77%	0.771	38%	0.375	S	S	*	.			trans	-63	-13.2	177.6	-61.4	170.6	167.1	0	0	114.3	Y561	E559-Y561 PolarHBondContact O-N 2.87Å
560	S	95.3	Very high	94.7	Very high	42 Å²	42	67.6 Å²	67.6	29%	0.294	37%	0.374	S	S	.	.			trans	-59.3	110.1	175.1	160.8	0	0	0	0	110.6	S558 N562 V563 R589	S558-S560 PolarHBondContact O-N 3.45Å; S558-S560 VanDerWaalsContact O-N 3.12Å; S558-S560 PolarHBondContact OG-N 3.1Å; S560-N562 PolarHBondContact OG-OD1 2.93Å; S560-V563 WeakPolarHBondContact OG-CG2 3.42Å; S560-R589 VanDerWaalsContact O-CZ 3.27Å; S560-R589 PolarHBondContact O-NH1 3.46Å; S560-R589 PolarHBondContact O-NH2 2.86Å
561	Y	93.5	Very high	94	Very high	88 Å²	88	69.7 Å²	69.7	35%	0.345	40%	0.404	S	S	.	.			trans	-79	-24.5	178.4	60.1	-87.8	0	0	0	113.1	Q547 F548 E559 V563	Q547-Y561 HydrophobicContact CB-CD2 4.31Å; Q547-Y561 HydrophobicContact CB-CE2 4.14Å; Q547-Y561 HydrophobicContact CG-CD1 4.47Å; Q547-Y561 HydrophobicContact CG-CE1 4.31Å; F548-Y561 VanDerWaalsContact CE1-CB 3.41Å; E559-Y561 PolarHBondContact O-N 2.87Å; Y561-V563 PolarHBondContact O-N 3.26Å
562	N	94.6	Very high	93.4	Very high	107 Å²	107	70 Å²	70	57%	0.572	40%	0.402	S	S	*	.			trans	-79.8	32.1	-174.7	60.3	-15.2	0	0	0	114.8	S560	S560-N562 PolarHBondContact OG-OD1 2.93Å
563	V	95.8	Very high	92.6	Very high	29 Å²	29	69.7 Å²	69.7	18%	0.176	40%	0.398	C	S	.	.			trans	-94.4	115.1	-179.4	179.3	0	0	0	0	111.2	S560 Y561 I566	S560-V563 WeakPolarHBondContact OG-CG2 3.42Å; Y561-V563 PolarHBondContact O-N 3.26Å; V563-I566 HydrophobicContact CG1-CG2 3.61Å
564	G	95.1	Very high	91.4	Very high	30 Å²	30	72.4 Å²	72.4	31%	0.309	41%	0.414	S	S	.	.			trans	-87.1	-137.9	176.6	0	0	0	0	0	114.2	I566	G564-I566 PolarHBondContact O-N 3.33Å
565	I	97.8	Very high	90.7	Very high	50 Å²	50	73.9 Å²	73.9	26%	0.256	43%	0.426	S	S	.	.	S	Bend	trans	-71.4	125.3	175.3	-62.1	174.7	0	0	0	109.9	R586 F588 E1019 L1022 K1023	I565-R586 HydrophobicContact CG2-CB 4.06Å; I565-R586 HydrophobicContact CG2-CG 4.38Å; I565-F588 HydrophobicContact CB-CE1 4.47Å; I565-F588 HydrophobicContact CD1-CE1 4.2Å; I565-F588 HydrophobicContact CD1-CZ 4.27Å; I565-F588 HydrophobicContact CG1-CD1 3.94Å; I565-F588 HydrophobicContact CG1-CE1 3.32Å; I565-F588 HydrophobicContact CG1-CZ 3.84Å; I565-E1019 HydrophobicContact CD1-CG 4.13Å; I565-E1019 HydrophobicContact CG2-CG 4.35Å; I565-L1022 HydrophobicContact CD1-CD2 4.36Å; I565-L1022 HydrophobicContact CD1-CG 4.49Å; I565-L1022 HydrophobicContact CG1-CD2 4.17Å; I565-L1022 HydrophobicContact CG2-CD2 4.06Å; I565-K1023 HydrophobicContact CD1-CB 3.81Å; I565-K1023 HydrophobicContact CD1-CG 4.34Å
566	I	96.8	Very high	90	Very high	49 Å²	49	75 Å²	75	25%	0.251	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	162.5	178.3	56.3	172.7	0	0	0	111.8	V563 G564 R586 R587	V563-I566 HydrophobicContact CG1-CG2 3.61Å; G564-I566 PolarHBondContact O-N 3.33Å; I566-R586 WeakPolarHBondContact O-CA 3.16Å; I566-R587 HydrophobicContact CD1-CG 4Å; I566-R587 HydrophobicContact CG1-CG 3.7Å; I566-R587 WeakPolarHBondContact CG1-O 3.31Å; I566-R587 PolarHBondContact N-O 2.79Å; I566-R587 PolarHBondContact O-N 2.8Å
567	N	94.4	Very high	89.7	Confident	73 Å²	73	74 Å²	74	39%	0.39	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.7	172.6	-170.9	17.4	0	0	0	109.3	L569 S570 T585 R586	N567-L569 PolarHBondContact O-N 3.16Å; N567-S570 PolarHBondContact O-N 2.84Å; N567-S570 VanDerWaalsContact O-N 3.12Å; N567-T585 PolarHBondContact OD1-O 3.41Å; N567-T585 VanDerWaalsContact OD1-O 3.06Å; N567-R586 PolarHBondContact OD1-NH1 2.84Å
568	G	90.3	Very high	89.3	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.8	-175.9	0	0	0	0	0	113.5	S570 T585	G568-S570 PolarHBondContact O-N 3.26Å; G568-S570 PolarHBondContact O-OG 3.4Å; G568-T585 VanDerWaalsContact C-OG1 3.32Å; G568-T585 WeakPolarHBondContact CA-OG1 3.32Å; G568-T585 PolarHBondContact N-O 2.87Å; G568-T585 PolarHBondContact N-OG1 3.48Å
569	L	88.8	Confident	88.8	Confident	28 Å²	28	75.9 Å²	75.9	15%	0.147	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.7	171.6	-67.2	174.9	0	0	0	114.2	N567 G571 W572 A581 T583 T585	N567-L569 PolarHBondContact O-N 3.16Å; L569-G571 PolarHBondContact O-N 3.31Å; L569-W572 HydrophobicContact CB-CB 4.28Å; L569-W572 HydrophobicContact CD2-CD2 4.4Å; L569-W572 HydrophobicContact CD2-CE3 3.65Å; L569-W572 HydrophobicContact CD2-CZ3 4.16Å; L569-W572 WeakPolarHBondContact O-CB 3.37Å; L569-W572 PolarHBondContact O-N 3.01Å; L569-A581 HydrophobicContact CD1-CB 4.16Å; L569-A581 HydrophobicContact CD2-CB 4.07Å; L569-T583 HydrophobicContact CD2-CG2 3.76Å; L569-T585 PolarHBondContact N-OG1 2.89Å; L569-T585 VanDerWaalsContact N-OG1 3.12Å
570	S	87.2	Confident	88.3	Confident	64 Å²	64	72 Å²	72	45%	0.448	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	21.3	163.9	-53.6	0	0	0	0	117.4	N567 G568	N567-S570 PolarHBondContact O-N 2.84Å; N567-S570 VanDerWaalsContact O-N 3.12Å; G568-S570 PolarHBondContact O-N 3.26Å; G568-S570 PolarHBondContact O-OG 3.4Å
571	G	83.4	Confident	87.5	Confident	70 Å²	70	71.1 Å²	71.1	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.8	-0.9	178.9	0	0	0	0	0	116	L569 T573	L569-G571 PolarHBondContact O-N 3.31Å; G571-T573 PolarHBondContact O-N 2.79Å
572	W	83.1	Confident	87	Confident	77 Å²	77	71 Å²	71	29%	0.292	43%	0.432	S	S	.	.			trans	-46.1	123.1	176.8	-162.3	-33.3	0	0	0	111.6	L569 S574 S579 A581 A704	L569-W572 HydrophobicContact CB-CB 4.28Å; L569-W572 HydrophobicContact CD2-CD2 4.4Å; L569-W572 HydrophobicContact CD2-CE3 3.65Å; L569-W572 HydrophobicContact CD2-CZ3 4.16Å; L569-W572 WeakPolarHBondContact O-CB 3.37Å; L569-W572 PolarHBondContact O-N 3.01Å; W572-S574 PolarHBondContact O-N 2.97Å; W572-S579 PolarHBondContact NE1-O 3.33Å; W572-A581 HydrophobicContact CD2-CB 3.97Å; W572-A581 HydrophobicContact CE3-CB 4.41Å; W572-A581 HydrophobicContact CG-CB 4.1Å; W572-A704 HydrophobicContact CE3-CB 4.08Å; W572-A704 HydrophobicContact CH2-CB 3.93Å; W572-A704 HydrophobicContact CZ3-CB 3.39Å
573	T	78.8	Confident	86.8	Confident	86 Å²	86	66.2 Å²	66.2	53%	0.528	41%	0.406	S	S	.	.			trans	-67.4	122.6	179.6	39.3	0	0	0	0	110.7	G571 S575 D578	G571-T573 PolarHBondContact O-N 2.79Å; T573-S575 PolarHBondContact O-N 3.37Å; T573-S575 VanDerWaalsContact O-N 3.11Å; T573-D578 WeakPolarHBondContact CB-OD2 3.34Å; T573-D578 PolarHBondContact OG1-OD2 3.03Å
574	S	72.4	Confident	86.8	Confident	118 Å²	118	65.5 Å²	65.5	83%	0.825	40%	0.401	S	S	*	.			trans	-85.8	49.6	173.8	68.8	0	0	0	0	111.2	W572	W572-S574 PolarHBondContact O-N 2.97Å
575	S	82.9	Confident	86.8	Confident	51 Å²	51	64.1 Å²	64.1	36%	0.357	39%	0.386	S	S	.	.			trans	-76.5	164.8	169.9	-155.5	0	0	0	0	110.5	T573 D577 D578	T573-S575 PolarHBondContact O-N 3.37Å; T573-S575 VanDerWaalsContact O-N 3.11Å; S575-D577 VanDerWaalsContact C-N 3.35Å; S575-D577 PolarHBondContact OG-OD2 3.13Å; S575-D578 WeakPolarHBondContact CB-OD2 3.43Å
576	L	81.4	Confident	86.8	Confident	177 Å²	177	63.8 Å²	63.8	93%	0.927	38%	0.382	S	S	*	.	S	Bend	trans	-86.2	-12.2	168.3	-64.6	176.9	0	0	0	112.4
577	D	88.4	Confident	86.8	Confident	149 Å²	149	61.9 Å²	61.9	80%	0.797	37%	0.372	S	S	*	.	S	Bend	trans	-90.1	-17.4	178	-39.6	-79.2	0	0	0	112.6	S575	S575-D577 VanDerWaalsContact C-N 3.35Å; S575-D577 PolarHBondContact OG-OD2 3.13Å
578	D	87.9	Confident	87	Confident	68 Å²	68	58.5 Å²	58.5	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-91.4	165.3	179.4	-66.4	-43.2	0	0	0	111.5	T573 S575	T573-D578 WeakPolarHBondContact CB-OD2 3.34Å; T573-D578 PolarHBondContact OG1-OD2 3.03Å; S575-D578 WeakPolarHBondContact CB-OD2 3.43Å
579	S	84.2	Confident	87.4	Confident	72 Å²	72	59.2 Å²	59.2	50%	0.503	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-61.9	129.6	170.9	-171.4	0	0	0	0	110.7	W572 A581	W572-S579 PolarHBondContact NE1-O 3.33Å; S579-A581 PolarHBondContact O-N 3.39Å
580	P	82.9	Confident	87.9	Confident	83 Å²	83	57.9 Å²	57.9	54%	0.539	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-71.3	124.2	-168.5	27.6	-35.2	0	0	0	112.3	D582	P580-D582 PolarHBondContact O-N 2.83Å
581	A	78.4	Confident	88.4	Confident	24 Å²	24	55 Å²	55	20%	0.198	33%	0.329	C	S	.	.			trans	-75.7	58.3	174.2	0	0	0	0	0	112.3	L569 W572 S579 T583	L569-A581 HydrophobicContact CD1-CB 4.16Å; L569-A581 HydrophobicContact CD2-CB 4.07Å; W572-A581 HydrophobicContact CD2-CB 3.97Å; W572-A581 HydrophobicContact CE3-CB 4.41Å; W572-A581 HydrophobicContact CG-CB 4.1Å; S579-A581 PolarHBondContact O-N 3.39Å; A581-T583 PolarHBondContact O-N 2.87Å
582	D	82.8	Confident	89.1	Confident	87 Å²	87	51.8 Å²	51.8	47%	0.465	30%	0.295	S	S	.	.			trans	-75.7	46.3	-179	-87.4	-31.9	0	0	0	112.9	P580 P645 A646	P580-D582 PolarHBondContact O-N 2.83Å; D582-P645 HydrophobicContact CB-CB 4.38Å; D582-P645 WeakPolarHBondContact OD1-CB 3.37Å; D582-A646 VanDerWaalsContact O-O 3.14Å
583	T	90.6	Very high	89.8	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.031	28%	0.281	C	S	.	.			trans	-138.3	160	172.5	-173.8	0	0	0	0	111.5	L569 A581 T585 F693 V694 T701 V705	L569-T583 HydrophobicContact CD2-CG2 3.76Å; A581-T583 PolarHBondContact O-N 2.87Å; T583-T585 HydrophobicContact CG2-CG2 3.79Å; T583-F693 WeakPolarHBondContact CB-O 3.31Å; T583-F693 PolarHBondContact OG1-O 3.26Å; T583-V694 HydrophobicContact CG2-CG2 4.39Å; T583-V694 WeakPolarHBondContact OG1-CG2 3.35Å; T583-T701 HydrophobicContact CG2-CG2 3.57Å; T583-V705 HydrophobicContact CG2-CG2 4.49Å
584	I	94.3	Very high	90.7	Very high	15 Å²	15	44 Å²	44	8%	0.077	26%	0.256	C	S	.	.			trans	-123.2	125	171.7	-57.1	172.1	0	0	0	107.2	P645 V647 F693 K1014 L1018	I584-P645 HydrophobicContact CD1-CG 4.41Å; I584-P645 HydrophobicContact CG1-CG 4.03Å; I584-V647 HydrophobicContact CD1-CG1 4.06Å; I584-V647 HydrophobicContact CG1-CG1 3.96Å; I584-F693 HydrophobicContact CB-CD2 4.21Å; I584-F693 PolarHBondContact O-N 2.77Å; I584-F693 VanDerWaalsContact O-N 3.16Å; I584-K1014 HydrophobicContact CD1-CB 3.75Å; I584-K1014 HydrophobicContact CD1-CD 4.18Å; I584-K1014 HydrophobicContact CD1-CG 4.26Å; I584-L1018 HydrophobicContact CG2-CD1 4.38Å; I584-L1018 WeakPolarHBondContact O-CD1 3.4Å
585	T	95.9	Very high	92	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.7	-172	69.1	0	0	0	0	111.3	N567 G568 L569 T583 L691 M692 V705	N567-T585 PolarHBondContact OD1-O 3.41Å; N567-T585 VanDerWaalsContact OD1-O 3.06Å; G568-T585 VanDerWaalsContact C-OG1 3.32Å; G568-T585 WeakPolarHBondContact CA-OG1 3.32Å; G568-T585 PolarHBondContact N-O 2.87Å; G568-T585 PolarHBondContact N-OG1 3.48Å; L569-T585 PolarHBondContact N-OG1 2.89Å; L569-T585 VanDerWaalsContact N-OG1 3.12Å; T583-T585 HydrophobicContact CG2-CG2 3.79Å; T585-L691 CarbonylContact C-O 3.51Å; T585-L691 VanDerWaalsContact CA-O 3.28Å; T585-L691 WeakPolarHBondContact CA-O 3.05Å; T585-M692 HydrophobicContact CG2-CB 3.46Å; T585-M692 VanDerWaalsContact CG2-CB 3.46Å; T585-V705 HydrophobicContact CG2-CG1 4.03Å; T585-V705 HydrophobicContact CG2-CG2 3.94Å
586	R	97.8	Very high	92.7	Very high	43 Å²	43	36.5 Å²	36.5	16%	0.162	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.6	173.5	-66.7	-66.2	179.6	-95.6	-0.2	109.4	I565 I566 N567 C690 L691 A1015 L1018 E1019 L1022	I565-R586 HydrophobicContact CG2-CB 4.06Å; I565-R586 HydrophobicContact CG2-CG 4.38Å; I566-R586 WeakPolarHBondContact O-CA 3.16Å; N567-R586 PolarHBondContact OD1-NH1 2.84Å; R586-C690 WeakPolarHBondContact O-CA 3.49Å; R586-L691 PolarHBondContact N-O 3Å; R586-L691 PolarHBondContact O-N 3.08Å; R586-A1015 PolarHBondContact NH2-O 2.78Å; R586-L1018 HydrophobicContact CB-CB 4.08Å; R586-L1018 HydrophobicContact CG-CB 3.8Å; R586-E1019 HydrophobicContact CG-CB 4.32Å; R586-L1022 HydrophobicContact CB-CD2 4.17Å
587	R	98.1	Very high	93.5	Very high	9 Å²	9	28.1 Å²	28.1	3%	0.034	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	166.7	176.2	70.8	-179.3	-171	98.6	-10.4	112.1	I566 L689 C690 E712	I566-R587 HydrophobicContact CD1-CG 4Å; I566-R587 HydrophobicContact CG1-CG 3.7Å; I566-R587 WeakPolarHBondContact CG1-O 3.31Å; I566-R587 PolarHBondContact N-O 2.79Å; I566-R587 PolarHBondContact O-N 2.8Å; R587-L689 CarbonylContact C-O 3.6Å; R587-L689 WeakPolarHBondContact CA-O 3.22Å; R587-L689 WeakPolarHBondContact CB-O 3.45Å; R587-C690 HydrophobicContact CB-CB 3.76Å; R587-E712 IonicContact CZ-OE1 3.37Å; R587-E712 IonicContact CZ-OE2 3.34Å; R587-E712 IonicContact NH1-OE1 2.67Å; R587-E712 PolarHBondContact NH1-OE1 3.08Å; R587-E712 IonicContact NH1-OE2 2.66Å; R587-E712 PolarHBondContact NH1-OE2 3.14Å; R587-E712 IonicContact NH2-OE1 3.6Å; R587-E712 PolarHBondContact NH2-OE1 3.27Å
588	F	98.4	Very high	93.9	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.122	C	C	.	.			trans	-92.4	164.9	154.6	-60.3	-71.5	0	0	0	109.7	L542 P543 I565 A593 L689 L1022 W1026	L542-F588 HydrophobicContact CD2-CZ 4.46Å; P543-F588 HydrophobicContact CB-CB 4.42Å; P543-F588 HydrophobicContact CB-CD1 3.58Å; P543-F588 HydrophobicContact CB-CE1 3.91Å; P543-F588 HydrophobicContact CB-CG 4.06Å; P543-F588 HydrophobicContact CG-CB 4.44Å; P543-F588 HydrophobicContact CG-CD1 3.57Å; P543-F588 HydrophobicContact CG-CD2 4.05Å; P543-F588 HydrophobicContact CG-CE1 3.61Å; P543-F588 HydrophobicContact CG-CE2 4.1Å; P543-F588 HydrophobicContact CG-CG 3.78Å; P543-F588 HydrophobicContact CG-CZ 3.88Å; I565-F588 HydrophobicContact CB-CE1 4.47Å; I565-F588 HydrophobicContact CD1-CE1 4.2Å; I565-F588 HydrophobicContact CD1-CZ 4.27Å; I565-F588 HydrophobicContact CG1-CD1 3.94Å; I565-F588 HydrophobicContact CG1-CE1 3.32Å; I565-F588 HydrophobicContact CG1-CZ 3.84Å; F588-A593 HydrophobicContact CB-CB 4.04Å; F588-L689 HydrophobicContact CB-CD1 4.18Å; F588-L689 PolarHBondContact N-O 2.64Å; F588-L1022 HydrophobicContact CD2-CD1 3.98Å; F588-L1022 HydrophobicContact CD2-CD2 4.07Å; F588-L1022 HydrophobicContact CD2-CG 4.1Å; F588-L1022 HydrophobicContact CE2-CD1 3.66Å; F588-L1022 HydrophobicContact CE2-CD2 3.95Å; F588-L1022 HydrophobicContact CE2-CG 3.56Å; F588-L1022 HydrophobicContact CZ-CD2 4.31Å; F588-L1022 HydrophobicContact CZ-CG 4Å; F588-W1026 HydrophobicContact CD2-CE3 4.07Å; F588-W1026 HydrophobicContact CD2-CZ3 4.39Å; F588-W1026 HydrophobicContact CE2-CB 4.23Å; F588-W1026 HydrophobicContact CE2-CD2 4.02Å; F588-W1026 AromaticContact CE2-CE3 3.69Å; F588-W1026 HydrophobicContact CE2-CE3 3.69Å; F588-W1026 HydrophobicContact CE2-CG 4.24Å; F588-W1026 HydrophobicContact CE2-CZ3 4.43Å; F588-W1026 HydrophobicContact CZ-CB 4.38Å; F588-W1026 HydrophobicContact CZ-CD2 4.46Å; F588-W1026 HydrophobicContact CZ-CG 4.37Å
589	R	97.9	Very high	94.3	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.06	11%	0.113	C	C	.	.			trans	-76.4	138	162.2	-149.8	177.8	70.2	-150.8	-0.1	108.5	S558 S560 D591 V592 A593 E712	S558-R589 PolarHBondContact O-NH1 3.21Å; S558-R589 PolarHBondContact O-NH2 2.84Å; S558-R589 VanDerWaalsContact O-NH2 3.1Å; S560-R589 VanDerWaalsContact O-CZ 3.27Å; S560-R589 PolarHBondContact O-NH1 3.46Å; S560-R589 PolarHBondContact O-NH2 2.86Å; R589-D591 VanDerWaalsContact CG-OD1 3.29Å; R589-D591 WeakPolarHBondContact CG-OD1 3.15Å; R589-D591 IonicContact CZ-OD1 2.83Å; R589-D591 IonicContact CZ-OD2 2.71Å; R589-D591 IonicContact NE-OD1 3.21Å; R589-D591 PolarHBondContact NE-OD1 2.76Å; R589-D591 IonicContact NE-OD2 2.97Å; R589-D591 PolarHBondContact NE-OD2 3.27Å; R589-D591 IonicContact NH2-OD1 3.51Å; R589-D591 IonicContact NH2-OD2 3.66Å; R589-D591 PolarHBondContact NH2-OD2 3.34Å; R589-V592 HydrophobicContact CB-CG2 4.07Å; R589-V592 PolarHBondContact O-N 2.82Å; R589-A593 WeakPolarHBondContact O-CB 3.32Å; R589-A593 PolarHBondContact O-N 2.93Å; R589-E712 HydrophobicContact CG-CG 4.41Å; R589-E712 WeakPolarHBondContact CG-OE1 3.12Å; R589-E712 WeakPolarHBondContact CG-OE2 3.36Å
590	Y	98.4	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69	-42.6	-163	-157.2	171.6	0	0	0	112.3	V592 A593 L594 E629 F654 F656 L689 I709 E712 R713 M716 F736	Y590-V592 PolarHBondContact O-N 3.39Å; Y590-A593 PolarHBondContact O-N 3.16Å; Y590-L594 HydrophobicContact CD2-CD1 3.95Å; Y590-L594 HydrophobicContact CD2-CG 3.93Å; Y590-L594 HydrophobicContact CE2-CD1 4.14Å; Y590-L594 HydrophobicContact CE2-CD2 4.17Å; Y590-L594 HydrophobicContact CE2-CG 4.06Å; Y590-L594 WeakPolarHBondContact O-CG 3.21Å; Y590-L594 PolarHBondContact O-N 2.69Å; Y590-E629 WeakPolarHBondContact CE1-OE1 3.41Å; Y590-E629 WeakPolarHBondContact OH-CG 3.25Å; Y590-E629 PolarHBondContact OH-OE1 3.23Å; Y590-F654 HydrophobicContact CE1-CE1 4.31Å; Y590-F656 HydrophobicContact CD2-CE1 4.46Å; Y590-F656 AromaticContact CE2-CD1 3.77Å; Y590-F656 HydrophobicContact CE2-CD1 3.77Å; Y590-F656 HydrophobicContact CE2-CE1 4.08Å; Y590-F656 HydrophobicContact CE2-CG 4.09Å; Y590-L689 HydrophobicContact CD1-CD2 3.82Å; Y590-L689 HydrophobicContact CD2-CD1 3.93Å; Y590-L689 HydrophobicContact CD2-CD2 3.6Å; Y590-L689 HydrophobicContact CD2-CG 4.43Å; Y590-L689 HydrophobicContact CE1-CD2 4Å; Y590-L689 HydrophobicContact CE2-CD2 3.8Å; Y590-L689 HydrophobicContact CG-CD1 4.31Å; Y590-L689 HydrophobicContact CG-CD2 3.62Å; Y590-I709 HydrophobicContact CD1-CG2 3.68Å; Y590-I709 HydrophobicContact CE1-CG2 4.04Å; Y590-I709 HydrophobicContact CG-CG2 4.49Å; Y590-E712 PolarHBondContact N-OE2 2.81Å; Y590-R713 HydrophobicContact CD1-CB 4.17Å; Y590-R713 HydrophobicContact CE1-CB 4.14Å; Y590-R713 HydrophobicContact CE1-CG 4.47Å; Y590-M716 HydrophobicContact CD1-CE 3.81Å; Y590-M716 HydrophobicContact CD2-CE 4.33Å; Y590-M716 HydrophobicContact CG-CE 3.69Å; Y590-F736 HydrophobicContact CE1-CD1 4.43Å; Y590-F736 HydrophobicContact CE1-CE1 4.09Å; Y590-F736 HydrophobicContact CE2-CE1 4.28Å; Y590-F736 AromaticContact CZ-CE1 3.81Å
591	D	98	Very high	95.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.011	7%	0.069	C	C	.	.	H	α-helix	trans	-56	-49.3	172.9	63.7	-38.9	0	0	0	112.7	F548 W550 L554 R589 A593 L594 V595 M716	F548-D591 WeakPolarHBondContact CZ-OD2 3.33Å; W550-D591 HydrophobicContact CZ2-CB 3.88Å; L554-D591 HydrophobicContact CD1-CB 4.17Å; R589-D591 VanDerWaalsContact CG-OD1 3.29Å; R589-D591 WeakPolarHBondContact CG-OD1 3.15Å; R589-D591 IonicContact CZ-OD1 2.83Å; R589-D591 IonicContact CZ-OD2 2.71Å; R589-D591 IonicContact NE-OD1 3.21Å; R589-D591 PolarHBondContact NE-OD1 2.76Å; R589-D591 IonicContact NE-OD2 2.97Å; R589-D591 PolarHBondContact NE-OD2 3.27Å; R589-D591 IonicContact NH2-OD1 3.51Å; R589-D591 IonicContact NH2-OD2 3.66Å; R589-D591 PolarHBondContact NH2-OD2 3.34Å; D591-A593 VanDerWaalsContact C-N 3.27Å; D591-A593 PolarHBondContact O-N 2.8Å; D591-L594 PolarHBondContact O-N 2.77Å; D591-L594 VanDerWaalsContact O-N 3.17Å; D591-V595 WeakPolarHBondContact O-CG2 3.33Å; D591-V595 PolarHBondContact O-N 3.03Å; D591-M716 VanDerWaalsContact CA-SD 3.58Å; D591-M716 HydrophobicContact CB-SD 3.67Å
592	V	98.2	Very high	96.2	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-64.6	-34.8	179.5	-168	0	0	0	0	111.1	P543 F548 R589 Y590 A596	P543-V592 HydrophobicContact CB-CB 4.43Å; P543-V592 HydrophobicContact CB-CG1 3.86Å; F548-V592 HydrophobicContact CE1-CB 4.5Å; F548-V592 HydrophobicContact CE1-CG1 4.4Å; F548-V592 HydrophobicContact CE1-CG2 4.16Å; F548-V592 HydrophobicContact CZ-CG2 3.89Å; R589-V592 HydrophobicContact CB-CG2 4.07Å; R589-V592 PolarHBondContact O-N 2.82Å; Y590-V592 PolarHBondContact O-N 3.39Å; V592-A596 WeakPolarHBondContact O-CB 3.44Å; V592-A596 PolarHBondContact O-N 3Å; V592-A596 VanDerWaalsContact O-N 3.1Å
593	A	98.4	Very high	96.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.2	-40.5	174.2	0	0	0	0	0	112.1	P543 F588 R589 Y590 D591 A596 A597 F656 L689 W1026	P543-A593 HydrophobicContact CG-CB 4.41Å; F588-A593 HydrophobicContact CB-CB 4.04Å; R589-A593 WeakPolarHBondContact O-CB 3.32Å; R589-A593 PolarHBondContact O-N 2.93Å; Y590-A593 PolarHBondContact O-N 3.16Å; D591-A593 VanDerWaalsContact C-N 3.27Å; D591-A593 PolarHBondContact O-N 2.8Å; A593-A596 PolarHBondContact O-N 3.21Å; A593-A597 VanDerWaalsContact O-CB 3.26Å; A593-A597 WeakPolarHBondContact O-CB 3.44Å; A593-A597 PolarHBondContact O-N 2.85Å; A593-F656 HydrophobicContact CB-CE1 4.08Å; A593-F656 HydrophobicContact CB-CZ 4.24Å; A593-L689 HydrophobicContact CB-CD1 3.67Å; A593-W1026 HydrophobicContact CB-CH2 3.94Å; A593-W1026 HydrophobicContact CB-CZ3 4.11Å; A593-W1026 VanDerWaalsContact O-CH2 3.27Å; A593-W1026 WeakPolarHBondContact O-CH2 3.47Å
594	L	98.2	Very high	96.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-64.5	-41.9	175.8	-72.3	165.6	0	0	0	111.5	Y590 D591 A597 L598 I627 F656 M716 F734 F736	Y590-L594 HydrophobicContact CD2-CD1 3.95Å; Y590-L594 HydrophobicContact CD2-CG 3.93Å; Y590-L594 HydrophobicContact CE2-CD1 4.14Å; Y590-L594 HydrophobicContact CE2-CD2 4.17Å; Y590-L594 HydrophobicContact CE2-CG 4.06Å; Y590-L594 WeakPolarHBondContact O-CG 3.21Å; Y590-L594 PolarHBondContact O-N 2.69Å; D591-L594 PolarHBondContact O-N 2.77Å; D591-L594 VanDerWaalsContact O-N 3.17Å; L594-A597 WeakPolarHBondContact O-CB 3.5Å; L594-A597 PolarHBondContact O-N 3.02Å; L594-A597 VanDerWaalsContact O-N 3.16Å; L594-L598 PolarHBondContact O-N 3.43Å; L594-I627 HydrophobicContact CD2-CD1 3.64Å; L594-I627 HydrophobicContact CD2-CG1 4Å; L594-F656 HydrophobicContact CD2-CD2 4.14Å; L594-F656 HydrophobicContact CD2-CE2 3.73Å; L594-F656 HydrophobicContact CD2-CZ 4.17Å; L594-M716 HydrophobicContact CD1-CE 3.7Å; L594-M716 HydrophobicContact CD1-SD 3.65Å; L594-F734 HydrophobicContact CB-CE1 4.02Å; L594-F734 HydrophobicContact CB-CZ 4.11Å; L594-F734 HydrophobicContact CD1-CD1 4.17Å; L594-F734 HydrophobicContact CD1-CE1 4.15Å; L594-F734 HydrophobicContact CD1-CZ 4.48Å; L594-F734 HydrophobicContact CD2-CD1 4.2Å; L594-F734 HydrophobicContact CD2-CE1 3.98Å; L594-F734 HydrophobicContact CG-CE1 4.28Å; L594-F736 HydrophobicContact CD1-CE1 3.93Å; L594-F736 HydrophobicContact CD1-CZ 3.78Å
595	V	98	Very high	96.7	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-59.4	-50.1	174.5	169	0	0	0	0	111.4	H546 F548 D591 A597 L598 K599 L721 L723	H546-V595 HydrophobicContact CB-CG1 4.3Å; F548-V595 HydrophobicContact CB-CG1 4.28Å; F548-V595 HydrophobicContact CB-CG2 3.96Å; F548-V595 HydrophobicContact CD1-CB 4.09Å; F548-V595 HydrophobicContact CD1-CG1 3.79Å; F548-V595 HydrophobicContact CD1-CG2 3.69Å; F548-V595 HydrophobicContact CD2-CG2 3.92Å; F548-V595 HydrophobicContact CE1-CB 4.4Å; F548-V595 HydrophobicContact CE1-CG1 4.45Å; F548-V595 HydrophobicContact CE1-CG2 4.08Å; F548-V595 HydrophobicContact CE2-CG2 4.32Å; F548-V595 HydrophobicContact CG-CB 4.43Å; F548-V595 HydrophobicContact CG-CG1 4.24Å; F548-V595 HydrophobicContact CG-CG2 3.58Å; F548-V595 HydrophobicContact CZ-CG2 4.38Å; D591-V595 WeakPolarHBondContact O-CG2 3.33Å; D591-V595 PolarHBondContact O-N 3.03Å; V595-A597 PolarHBondContact O-N 2.77Å; V595-L598 PolarHBondContact O-N 3.26Å; V595-K599 PolarHBondContact O-N 3.18Å; V595-L721 HydrophobicContact CG2-CD1 3.66Å; V595-L721 HydrophobicContact CG2-CD2 3.79Å; V595-L721 HydrophobicContact CG2-CG 4.37Å; V595-L723 HydrophobicContact CG1-CD1 3.87Å; V595-L723 HydrophobicContact CG1-CD2 4.33Å
596	A	98.1	Very high	96.5	Very high	8 Å²	8	14.7 Å²	14.7	7%	0.066	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-26.2	176.6	0	0	0	0	0	113	P543 V592 A593 D600 W1026	P543-A596 HydrophobicContact CB-CB 4.36Å; P543-A596 HydrophobicContact CG-CB 4.03Å; V592-A596 WeakPolarHBondContact O-CB 3.44Å; V592-A596 PolarHBondContact O-N 3Å; V592-A596 VanDerWaalsContact O-N 3.1Å; A593-A596 PolarHBondContact O-N 3.21Å; A596-D600 VanDerWaalsContact O-CB 3.3Å; A596-D600 WeakPolarHBondContact O-CB 3.45Å; A596-D600 PolarHBondContact O-N 2.96Å; A596-W1026 HydrophobicContact CB-CZ2 3.85Å
597	A	98	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-75.8	-35.4	174.1	0	0	0	0	0	113.1	A593 L594 V595 L601 F656 V658 K687 W1026	A593-A597 VanDerWaalsContact O-CB 3.26Å; A593-A597 WeakPolarHBondContact O-CB 3.44Å; A593-A597 PolarHBondContact O-N 2.85Å; L594-A597 WeakPolarHBondContact O-CB 3.5Å; L594-A597 PolarHBondContact O-N 3.02Å; L594-A597 VanDerWaalsContact O-N 3.16Å; V595-A597 PolarHBondContact O-N 2.77Å; A597-L601 WeakPolarHBondContact O-CG 3.48Å; A597-L601 PolarHBondContact O-N 3Å; A597-F656 HydrophobicContact CB-CE2 3.89Å; A597-F656 HydrophobicContact CB-CZ 4.01Å; A597-V658 HydrophobicContact CB-CG2 4.43Å; A597-K687 HydrophobicContact CB-CD 3.58Å; A597-W1026 HydrophobicContact CB-CH2 4.26Å
598	L	97.5	Very high	95.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-72.9	-40.6	173.6	-73	177.8	0	0	0	111.8	L594 V595 D600 L601 E602 I605 V625 V661 L721 L723 M725 F732 F734	L594-L598 PolarHBondContact O-N 3.43Å; V595-L598 PolarHBondContact O-N 3.26Å; L598-D600 PolarHBondContact O-N 3.44Å; L598-L601 CarbonylContact O-C 3.51Å; L598-L601 WeakPolarHBondContact O-CA 3.4Å; L598-L601 WeakPolarHBondContact O-CB 3.43Å; L598-L601 PolarHBondContact O-N 2.86Å; L598-E602 PolarHBondContact O-N 3.09Å; L598-E602 VanDerWaalsContact O-N 3.08Å; L598-I605 HydrophobicContact CD2-CD1 4.35Å; L598-V625 HydrophobicContact CD1-CG2 4.44Å; L598-V625 HydrophobicContact CD2-CG1 4.17Å; L598-V625 HydrophobicContact CD2-CG2 4.15Å; L598-V661 HydrophobicContact CD2-CG2 4.32Å; L598-L721 HydrophobicContact CD1-CD2 4.03Å; L598-L723 HydrophobicContact CB-CD2 4.07Å; L598-L723 HydrophobicContact CD1-CD2 4.43Å; L598-M725 HydrophobicContact CB-SD 4.46Å; L598-F732 HydrophobicContact CD1-CD1 4.2Å; L598-F732 HydrophobicContact CD1-CD2 4.5Å; L598-F732 HydrophobicContact CD1-CG 4.15Å; L598-F734 HydrophobicContact CD1-CE1 4.02Å; L598-F734 HydrophobicContact CD1-CZ 3.69Å
599	K	96.4	Very high	95.4	Very high	37 Å²	37	15 Å²	15	16%	0.161	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-38.3	174	-83	-59.2	-141.5	176.2	0	113.1	H546 V595 L601 E602 L723 S724 M725	H546-K599 HydrophobicContact CB-CG 4.42Å; V595-K599 PolarHBondContact O-N 3.18Å; K599-L601 PolarHBondContact O-N 2.89Å; K599-L601 VanDerWaalsContact O-N 3.17Å; K599-E602 WeakPolarHBondContact CD-OE2 3.43Å; K599-E602 WeakPolarHBondContact CE-OE2 3.23Å; K599-E602 IonicContact NZ-OE1 2.77Å; K599-E602 PolarHBondContact NZ-OE1 3.43Å; K599-E602 IonicContact NZ-OE2 3.38Å; K599-E602 PolarHBondContact NZ-OE2 3.24Å; K599-E602 VanDerWaalsContact O-CB 3.28Å; K599-E602 WeakPolarHBondContact O-CB 3.49Å; K599-E602 PolarHBondContact O-N 3.19Å; K599-E602 VanDerWaalsContact O-N 3.1Å; K599-L723 HydrophobicContact CG-CD1 4.3Å; K599-L723 HydrophobicContact CG-CD2 4.3Å; K599-S724 WeakPolarHBondContact CE-O 3.43Å; K599-S724 PolarHBondContact NZ-O 3.11Å; K599-M725 HydrophobicContact CD-CG 4.44Å
600	D	95.7	Very high	95	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.102	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13	170.7	177.9	68.2	0	0	0	113.7	A596 L598 K687 S1030 K1031 Y1032	A596-D600 VanDerWaalsContact O-CB 3.3Å; A596-D600 WeakPolarHBondContact O-CB 3.45Å; A596-D600 PolarHBondContact O-N 2.96Å; L598-D600 PolarHBondContact O-N 3.44Å; D600-K687 IonicContact OD2-NZ 2.66Å; D600-K687 PolarHBondContact OD2-NZ 3.18Å; D600-S1030 VanDerWaalsContact OD1-CA 3.24Å; D600-S1030 WeakPolarHBondContact OD1-CA 3.38Å; D600-S1030 VanDerWaalsContact OD1-CB 3.27Å; D600-S1030 WeakPolarHBondContact OD1-CB 3.14Å; D600-S1030 PolarHBondContact OD1-OG 3.2Å; D600-S1030 WeakPolarHBondContact OD2-CA 3.48Å; D600-K1031 VanDerWaalsContact CG-N 3.27Å; D600-K1031 WeakPolarHBondContact O-CB 3.46Å; D600-K1031 PolarHBondContact OD1-N 2.98Å; D600-K1031 PolarHBondContact OD2-N 3.02Å; D600-Y1032 PolarHBondContact OD1-N 3.32Å
601	L	95.9	Very high	94.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2.3	174.2	-73.8	168.1	0	0	0	113.4	A597 L598 K599 E603 D604 I605 V658 F675 K1031	A597-L601 WeakPolarHBondContact O-CG 3.48Å; A597-L601 PolarHBondContact O-N 3Å; L598-L601 CarbonylContact O-C 3.51Å; L598-L601 WeakPolarHBondContact O-CA 3.4Å; L598-L601 WeakPolarHBondContact O-CB 3.43Å; L598-L601 PolarHBondContact O-N 2.86Å; K599-L601 PolarHBondContact O-N 2.89Å; K599-L601 VanDerWaalsContact O-N 3.17Å; L601-E603 VanDerWaalsContact C-N 3.35Å; L601-E603 PolarHBondContact O-N 2.94Å; L601-D604 HydrophobicContact CD2-CB 4.41Å; L601-D604 WeakPolarHBondContact O-CB 3.2Å; L601-D604 PolarHBondContact O-N 3.37Å; L601-I605 HydrophobicContact CB-CD1 4.03Å; L601-I605 HydrophobicContact CB-CG1 4.38Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 3.3Å; L601-V658 HydrophobicContact CD1-CB 3.85Å; L601-V658 HydrophobicContact CD1-CG1 3.86Å; L601-V658 HydrophobicContact CD1-CG2 3.97Å; L601-F675 HydrophobicContact CD1-CE1 4.29Å; L601-F675 HydrophobicContact CD2-CD2 4.47Å; L601-F675 HydrophobicContact CD2-CE1 4.15Å; L601-F675 HydrophobicContact CD2-CE2 3.78Å; L601-F675 HydrophobicContact CD2-CZ 3.6Å; L601-K1031 HydrophobicContact CD2-CB 4.45Å; L601-K1031 HydrophobicContact CD2-CG 3.85Å
602	E	94.3	Very high	93.9	Very high	46 Å²	46	29.9 Å²	29.9	22%	0.215	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-45.7	-171.7	178.9	169.8	-159.2	0	0	112.4	L598 K599 D604 I605 M606 M725 G726	L598-E602 PolarHBondContact O-N 3.09Å; L598-E602 VanDerWaalsContact O-N 3.08Å; K599-E602 WeakPolarHBondContact CD-OE2 3.43Å; K599-E602 WeakPolarHBondContact CE-OE2 3.23Å; K599-E602 IonicContact NZ-OE1 2.77Å; K599-E602 PolarHBondContact NZ-OE1 3.43Å; K599-E602 IonicContact NZ-OE2 3.38Å; K599-E602 PolarHBondContact NZ-OE2 3.24Å; K599-E602 VanDerWaalsContact O-CB 3.28Å; K599-E602 WeakPolarHBondContact O-CB 3.49Å; K599-E602 PolarHBondContact O-N 3.19Å; K599-E602 VanDerWaalsContact O-N 3.1Å; E602-D604 VanDerWaalsContact C-N 3.32Å; E602-D604 PolarHBondContact O-N 2.93Å; E602-I605 PolarHBondContact O-N 2.91Å; E602-M606 HydrophobicContact CG-CG 4.33Å; E602-M606 WeakPolarHBondContact O-CB 3.13Å; E602-M606 WeakPolarHBondContact O-CG 3.34Å; E602-M606 PolarHBondContact O-N 3.1Å; E602-M725 HydrophobicContact CG-CB 4.36Å; E602-M725 WeakPolarHBondContact OE1-CA 3.38Å; E602-G726 PolarHBondContact OE1-N 3.13Å
603	E	91.8	Very high	93.1	Very high	63 Å²	63	32.9 Å²	32.9	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-58.7	-40.7	174.7	-67	-178.5	-175.3	0	0	112.9	L601 E607 K1035 A1049	L601-E603 VanDerWaalsContact C-N 3.35Å; L601-E603 PolarHBondContact O-N 2.94Å; E603-E607 WeakPolarHBondContact O-CB 3.5Å; E603-E607 PolarHBondContact O-N 2.91Å; E603-K1035 VanDerWaalsContact CB-NZ 3.26Å; E603-K1035 WeakPolarHBondContact OE2-CD 3.24Å; E603-K1035 WeakPolarHBondContact OE2-CE 2.84Å; E603-K1035 IonicContact OE2-NZ 3.78Å; E603-K1035 PolarHBondContact OE2-NZ 2.87Å; E603-A1049 WeakPolarHBondContact OE1-CB 3.48Å
604	D	93.3	Very high	92.2	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-37.1	-177.3	-68.4	-18.5	0	0	0	111.3	L601 E602 G608 F675 K1035	L601-D604 HydrophobicContact CD2-CB 4.41Å; L601-D604 WeakPolarHBondContact O-CB 3.2Å; L601-D604 PolarHBondContact O-N 3.37Å; E602-D604 VanDerWaalsContact C-N 3.32Å; E602-D604 PolarHBondContact O-N 2.93Å; D604-G608 PolarHBondContact O-N 3.45Å; D604-F675 HydrophobicContact CB-CD2 3.93Å; D604-F675 HydrophobicContact CB-CE2 4.14Å; D604-K1035 WeakPolarHBondContact OD1-CE 3.49Å; D604-K1035 IonicContact OD1-NZ 2.77Å; D604-K1035 PolarHBondContact OD1-NZ 2.93Å
605	I	92.9	Very high	91	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-44.5	176.9	-63.3	166.6	0	0	0	110.2	L598 L601 E602 E607 G608 L609 F623 V661 I674 M725	L598-I605 HydrophobicContact CD2-CD1 4.35Å; L601-I605 HydrophobicContact CB-CD1 4.03Å; L601-I605 HydrophobicContact CB-CG1 4.38Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 3.3Å; E602-I605 PolarHBondContact O-N 2.91Å; I605-E607 VanDerWaalsContact C-N 3.29Å; I605-E607 PolarHBondContact O-N 3.17Å; I605-G608 PolarHBondContact O-N 3.42Å; I605-L609 WeakPolarHBondContact O-CG 3.38Å; I605-L609 PolarHBondContact O-N 2.85Å; I605-F623 HydrophobicContact CG2-CE1 4.32Å; I605-V661 HydrophobicContact CD1-CG1 4.49Å; I605-V661 HydrophobicContact CD1-CG2 4.12Å; I605-V661 HydrophobicContact CG1-CG2 4.41Å; I605-I674 HydrophobicContact CG2-CG2 4.16Å; I605-I674 VanDerWaalsContact O-CG2 3.23Å; I605-I674 WeakPolarHBondContact O-CG2 3.36Å; I605-M725 HydrophobicContact CB-CE 4.19Å; I605-M725 HydrophobicContact CD1-CE 3.74Å; I605-M725 HydrophobicContact CG2-CE 3.85Å
606	M	91.3	Very high	89.8	Confident	19 Å²	19	44 Å²	44	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-28.7	176.4	-64.4	-67	-58.6	0	0	112.2	E602 L609 R610 D616 R730	E602-M606 HydrophobicContact CG-CG 4.33Å; E602-M606 WeakPolarHBondContact O-CB 3.13Å; E602-M606 WeakPolarHBondContact O-CG 3.34Å; E602-M606 PolarHBondContact O-N 3.1Å; M606-L609 HydrophobicContact SD-CD1 4.28Å; M606-R610 WeakPolarHBondContact O-CG 3.27Å; M606-R610 PolarHBondContact O-N 2.86Å; M606-R610 PolarHBondContact O-NE 2.94Å; M606-R610 PolarHBondContact O-NH1 3.15Å; M606-R610 PolarHBondContact O-NH2 2.98Å; M606-D616 WeakPolarHBondContact CE-OD1 3.39Å; M606-D616 WeakPolarHBondContact CE-OD2 3.29Å; M606-R730 PolarHBondContact SD-NH2 3.48Å
607	E	91.2	Very high	88.4	Confident	50 Å²	50	47.2 Å²	47.2	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-46.3	171.7	-170.3	164.7	-176.1	0	0	111.4	E603 I605 L609 R610 D611 K1045	E603-E607 WeakPolarHBondContact O-CB 3.5Å; E603-E607 PolarHBondContact O-N 2.91Å; I605-E607 VanDerWaalsContact C-N 3.29Å; I605-E607 PolarHBondContact O-N 3.17Å; E607-L609 PolarHBondContact O-N 3.12Å; E607-R610 VanDerWaalsContact CA-NH2 3.31Å; E607-R610 PolarHBondContact O-N 2.9Å; E607-D611 PolarHBondContact O-N 2.65Å; E607-K1045 IonicContact OE1-NZ 2.65Å; E607-K1045 PolarHBondContact OE1-NZ 3.4Å
608	G	90.9	Very high	86.9	Confident	10 Å²	10	50.7 Å²	50.7	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-40.1	174.9	0	0	0	0	0	114	D604 I605 R610 D611 T612	D604-G608 PolarHBondContact O-N 3.45Å; I605-G608 PolarHBondContact O-N 3.42Å; G608-R610 VanDerWaalsContact C-N 3.31Å; G608-R610 PolarHBondContact O-N 2.76Å; G608-D611 PolarHBondContact O-N 2.67Å; G608-T612 PolarHBondContact O-N 3.37Å; G608-T612 PolarHBondContact O-OG1 3.37Å; G608-T612 VanDerWaalsContact O-OG1 3.13Å
609	L	89	Confident	85.6	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-37.4	176.6	-78.4	169.2	0	0	0	112.8	I605 M606 E607 T612 G613 M614 C619 F623 I674	I605-L609 WeakPolarHBondContact O-CG 3.38Å; I605-L609 PolarHBondContact O-N 2.85Å; M606-L609 HydrophobicContact SD-CD1 4.28Å; E607-L609 PolarHBondContact O-N 3.12Å; L609-T612 PolarHBondContact O-OG1 3.15Å; L609-T612 VanDerWaalsContact O-OG1 3.11Å; L609-G613 PolarHBondContact O-N 2.99Å; L609-M614 HydrophobicContact CD2-CB 4.38Å; L609-M614 HydrophobicContact CD2-SD 4.35Å; L609-M614 PolarHBondContact O-N 2.99Å; L609-C619 HydrophobicContact CD2-CB 4Å; L609-F623 HydrophobicContact CD1-CZ 4.4Å; L609-I674 HydrophobicContact CD2-CD1 3.56Å; L609-I674 HydrophobicContact CD2-CG1 4.2Å; L609-I674 HydrophobicContact CG-CD1 4.03Å; L609-I674 HydrophobicContact CG-CG2 4.25Å
610	R	89.7	Confident	84.5	Confident	141 Å²	141	51.3 Å²	51.3	53%	0.532	29%	0.291	S	S	.	.	H	α-helix	trans	-73.6	-38.9	175.7	-68.9	-177	-62.3	-95.4	0.6	111.9	M606 E607 G608 T612 G613	M606-R610 WeakPolarHBondContact O-CG 3.27Å; M606-R610 PolarHBondContact O-N 2.86Å; M606-R610 PolarHBondContact O-NE 2.94Å; M606-R610 PolarHBondContact O-NH1 3.15Å; M606-R610 PolarHBondContact O-NH2 2.98Å; E607-R610 VanDerWaalsContact CA-NH2 3.31Å; E607-R610 PolarHBondContact O-N 2.9Å; G608-R610 VanDerWaalsContact C-N 3.31Å; G608-R610 PolarHBondContact O-N 2.76Å; R610-T612 VanDerWaalsContact C-N 3.31Å; R610-T612 PolarHBondContact O-N 2.71Å; R610-G613 PolarHBondContact O-N 3.36Å
611	D	88.9	Confident	83.7	Confident	131 Å²	131	54.1 Å²	54.1	70%	0.701	31%	0.306	S	S	*	.	H	α-helix	trans	-69.4	-27.6	178.2	-77.2	1.1	0	0	0	112.3	E607 G608 G613	E607-D611 PolarHBondContact O-N 2.65Å; G608-D611 PolarHBondContact O-N 2.67Å; D611-G613 VanDerWaalsContact C-N 3.32Å
612	T	84.8	Confident	83.1	Confident	60 Å²	60	55.4 Å²	55.4	37%	0.368	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.5	168.7	56.3	0	0	0	0	113.8	G608 L609 R610 M614 V672	G608-T612 PolarHBondContact O-N 3.37Å; G608-T612 PolarHBondContact O-OG1 3.37Å; G608-T612 VanDerWaalsContact O-OG1 3.13Å; L609-T612 PolarHBondContact O-OG1 3.15Å; L609-T612 VanDerWaalsContact O-OG1 3.11Å; R610-T612 VanDerWaalsContact C-N 3.31Å; R610-T612 PolarHBondContact O-N 2.71Å; T612-M614 VanDerWaalsContact C-N 3.3Å; T612-M614 PolarHBondContact O-N 3.2Å; T612-M614 WeakPolarHBondContact OG1-CG 3.42Å; T612-V672 HydrophobicContact CG2-CG1 3.89Å
613	G	81.3	Confident	83.1	Confident	66 Å²	66	53.2 Å²	53.2	68%	0.68	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	18.6	178.9	0	0	0	0	0	114.8	L609 R610 D611	L609-G613 PolarHBondContact O-N 2.99Å; R610-G613 PolarHBondContact O-N 3.36Å; D611-G613 VanDerWaalsContact C-N 3.32Å
614	M	78.9	Confident	83.2	Confident	38 Å²	38	53.5 Å²	53.5	19%	0.187	31%	0.308	C	S	.	.			trans	-84.5	139.5	-177	-59.1	178.6	87.6	0	0	111	L609 T612 D616 I663 A665 V672	L609-M614 HydrophobicContact CD2-CB 4.38Å; L609-M614 HydrophobicContact CD2-SD 4.35Å; L609-M614 PolarHBondContact O-N 2.99Å; T612-M614 VanDerWaalsContact C-N 3.3Å; T612-M614 PolarHBondContact O-N 3.2Å; T612-M614 WeakPolarHBondContact OG1-CG 3.42Å; M614-D616 PolarHBondContact O-N 3.4Å; M614-I663 HydrophobicContact CE-CG2 3.81Å; M614-I663 HydrophobicContact SD-CG2 3.93Å; M614-A665 HydrophobicContact CE-CB 4.48Å; M614-V672 HydrophobicContact SD-CG1 4.24Å
615	E	72.9	Confident	83.4	Confident	145 Å²	145	52 Å²	52	68%	0.678	30%	0.3	S	S	*	.			trans	-69.1	125.5	176.8	-71.7	-161.9	168.9	0	0	111.5	S617 A618 C619	E615-S617 PolarHBondContact O-N 3.11Å; E615-A618 HydrophobicContact CB-CB 4.38Å; E615-A618 PolarHBondContact O-N 3.35Å; E615-A618 VanDerWaalsContact O-N 3.15Å; E615-C619 PolarHBondContact O-N 3.09Å; E615-C619 PolarHBondContact O-SG 3.2Å
616	D	72.6	Confident	83.7	Confident	53 Å²	53	53.3 Å²	53.3	28%	0.283	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.1	-179	-103.6	-46.6	0	0	0	112.2	M606 M614 C619 M728 R730	M606-D616 WeakPolarHBondContact CE-OD1 3.39Å; M606-D616 WeakPolarHBondContact CE-OD2 3.29Å; M614-D616 PolarHBondContact O-N 3.4Å; D616-C619 PolarHBondContact O-N 3.47Å; D616-M728 WeakPolarHBondContact O-CE 3.2Å; D616-R730 PolarHBondContact O-NH1 3.19Å; D616-R730 IonicContact OD1-CZ 2.69Å; D616-R730 IonicContact OD1-NH1 3.47Å; D616-R730 IonicContact OD1-NH2 3.66Å; D616-R730 PolarHBondContact OD1-NH2 3.39Å
617	S	69.4	Low	84	Confident	76 Å²	76	52.4 Å²	52.4	53%	0.531	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-39.3	179.4	31.3	0	0	0	0	114.7	E615	E615-S617 PolarHBondContact O-N 3.11Å
618	A	66.4	Low	84.3	Confident	73 Å²	73	50.1 Å²	50.1	60%	0.603	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-35.4	179.3	0	0	0	0	0	111.3	E615 T620	E615-A618 HydrophobicContact CB-CB 4.38Å; E615-A618 PolarHBondContact O-N 3.35Å; E615-A618 VanDerWaalsContact O-N 3.15Å; A618-T620 PolarHBondContact O-N 3.48Å
619	C	69.6	Low	84.7	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.054	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	56.3	-172.8	-61.7	0	0	0	0	113.4	L609 E615 D616 F623 I663 R730	L609-C619 HydrophobicContact CD2-CB 4Å; E615-C619 PolarHBondContact O-N 3.09Å; E615-C619 PolarHBondContact O-SG 3.2Å; D616-C619 PolarHBondContact O-N 3.47Å; C619-F623 WeakPolarHBondContact O-CE2 3.3Å; C619-F623 WeakPolarHBondContact O-CZ 3.19Å; C619-I663 HydrophobicContact CB-CD1 3.61Å; C619-R730 PolarHBondContact O-NH1 2.89Å
620	T	73.7	Confident	85	Confident	43 Å²	43	49.7 Å²	49.7	26%	0.264	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-30	178.5	52.6	0	0	0	0	113.4	A618 M728 R730 S731	A618-T620 PolarHBondContact O-N 3.48Å; T620-M728 HydrophobicContact CG2-CE 4.03Å; T620-R730 CarbonylContact O-C 3.58Å; T620-R730 VanDerWaalsContact O-CA 3.29Å; T620-R730 WeakPolarHBondContact O-CA 3.37Å; T620-S731 PolarHBondContact O-N 2.83Å
621	L	78.3	Confident	85.3	Confident	79 Å²	79	43 Å²	43	41%	0.414	26%	0.262	S	S	.	.	S	Bend	trans	-106.7	171.9	179.7	-59.7	-178	0	0	0	111.8	F623	L621-F623 PolarHBondContact O-N 3.07Å
622	G	83.8	Confident	85.5	Confident	30 Å²	30	37.8 Å²	37.8	31%	0.309	23%	0.234	S	C	.	.			trans	81.2	4	166.6	0	0	0	0	0	117.8	Q664	G622-Q664 PolarHBondContact O-N 3.02Å
623	F	93.4	Very high	85.9	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.4	178.2	-66.6	-93.3	0	0	0	112.5	I605 L609 C619 L621 V661 S662 I663 I674 R730 S731 F732 R733	I605-F623 HydrophobicContact CG2-CE1 4.32Å; L609-F623 HydrophobicContact CD1-CZ 4.4Å; C619-F623 WeakPolarHBondContact O-CE2 3.3Å; C619-F623 WeakPolarHBondContact O-CZ 3.19Å; L621-F623 PolarHBondContact O-N 3.07Å; F623-V661 HydrophobicContact CD1-CG1 4.06Å; F623-S662 CarbonylContact C-O 3.6Å; F623-S662 VanDerWaalsContact CA-O 3.32Å; F623-S662 WeakPolarHBondContact CA-O 3.16Å; F623-I663 HydrophobicContact CD1-CB 4.37Å; F623-I663 HydrophobicContact CD2-CD1 4.46Å; F623-I663 HydrophobicContact CE1-CD1 4.16Å; F623-I663 HydrophobicContact CE2-CD1 4.06Å; F623-I663 HydrophobicContact CZ-CD1 3.91Å; F623-I674 HydrophobicContact CD1-CD1 4.06Å; F623-I674 HydrophobicContact CE1-CD1 3.59Å; F623-R730 HydrophobicContact CD2-CB 4.24Å; F623-R730 HydrophobicContact CE2-CB 3.85Å; F623-R730 HydrophobicContact CE2-CG 4.21Å; F623-S731 WeakPolarHBondContact CB-O 3.34Å; F623-S731 PolarHBondContact N-O 2.78Å; F623-F732 HydrophobicContact CB-CD1 3.37Å; F623-F732 HydrophobicContact CB-CE1 3.65Å; F623-F732 HydrophobicContact CB-CG 4.13Å; F623-F732 HydrophobicContact CD1-CD1 4.38Å; F623-F732 AromaticContact CD1-CE1 3.82Å; F623-F732 HydrophobicContact CD1-CE1 3.82Å; F623-F732 HydrophobicContact CD2-CD1 4.42Å; F623-F732 AromaticContact CD2-CE1 3.99Å; F623-F732 HydrophobicContact CD2-CE1 3.99Å; F623-F732 HydrophobicContact CD2-CZ 4.25Å; F623-F732 HydrophobicContact CE1-CE1 4.44Å; F623-F732 AromaticContact CG-CD1 3.85Å; F623-F732 HydrophobicContact CG-CD1 3.85Å; F623-F732 AromaticContact CG-CE1 3.56Å; F623-F732 HydrophobicContact CG-CE1 3.56Å; F623-F732 HydrophobicContact CG-CZ 4.26Å; F623-R733 PolarHBondContact O-N 3.45Å
624	R	95.4	Very high	86.5	Confident	68 Å²	68	32.7 Å²	32.7	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.7	176.5	-64.2	169	175.6	-142.9	-0.4	108.5	V661 S662 E671	R624-V661 WeakPolarHBondContact O-CA 3.3Å; R624-S662 PolarHBondContact N-O 2.77Å; R624-S662 PolarHBondContact O-N 2.97Å; R624-S662 PolarHBondContact O-OG 2.86Å; R624-E671 WeakPolarHBondContact CD-OE1 3.33Å; R624-E671 VanDerWaalsContact CD-OE2 3.26Å; R624-E671 WeakPolarHBondContact CD-OE2 3.49Å; R624-E671 IonicContact CZ-OE2 2.65Å; R624-E671 IonicContact NE-OE2 2.81Å; R624-E671 IonicContact NH1-OE2 3.55Å; R624-E671 PolarHBondContact NH1-OE2 3.42Å
625	V	97.6	Very high	87	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.5	-176.4	-174.7	0	0	0	0	109.3	L598 I627 V658 V661 F732 R733 F734 H735	L598-V625 HydrophobicContact CD1-CG2 4.44Å; L598-V625 HydrophobicContact CD2-CG1 4.17Å; L598-V625 HydrophobicContact CD2-CG2 4.15Å; V625-I627 HydrophobicContact CG1-CD1 3.67Å; V625-I627 HydrophobicContact CG1-CG1 4.29Å; V625-V658 HydrophobicContact CG1-CG1 3.99Å; V625-V661 HydrophobicContact CG1-CG2 4.39Å; V625-V661 HydrophobicContact CG2-CG1 4.41Å; V625-V661 HydrophobicContact CG2-CG2 4.42Å; V625-F732 HydrophobicContact CG2-CB 4.24Å; V625-F732 HydrophobicContact CG2-CD1 3.91Å; V625-R733 PolarHBondContact N-O 2.9Å; V625-F734 HydrophobicContact CB-CD1 3.76Å; V625-F734 HydrophobicContact CB-CE1 3.95Å; V625-F734 HydrophobicContact CG1-CD1 3.9Å; V625-F734 HydrophobicContact CG1-CE1 3.9Å; V625-F734 HydrophobicContact CG2-CD1 4.39Å; V625-F734 HydrophobicContact CG2-CE1 4.18Å; V625-H735 PolarHBondContact O-N 3.48Å
626	M	97.6	Very high	87.8	Confident	29 Å²	29	32.8 Å²	32.8	14%	0.143	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.7	178	-61.9	-59	-61.6	0	0	109.9	M659 S660 H735 R737 W990	M626-M659 HydrophobicContact CB-CB 4.27Å; M626-M659 PolarHBondContact O-N 3.17Å; M626-S660 WeakPolarHBondContact CB-OG 3.28Å; M626-S660 VanDerWaalsContact CG-OG 3.24Å; M626-S660 WeakPolarHBondContact CG-OG 3.43Å; M626-S660 PolarHBondContact N-O 2.89Å; M626-H735 HydrophobicContact CE-CB 4.06Å; M626-H735 HydrophobicContact SD-CB 3.61Å; M626-R737 HydrophobicContact CE-CG 4.27Å; M626-W990 HydrophobicContact CB-CH2 4.47Å; M626-W990 HydrophobicContact CE-CH2 4.33Å
627	I	98.3	Very high	88.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.2	-179.5	-57.1	-60.5	0	0	0	109.8	L594 V625 E629 F656 V658 F734 H735 F736 R737	L594-I627 HydrophobicContact CD2-CD1 3.64Å; L594-I627 HydrophobicContact CD2-CG1 4Å; V625-I627 HydrophobicContact CG1-CD1 3.67Å; V625-I627 HydrophobicContact CG1-CG1 4.29Å; I627-E629 HydrophobicContact CG2-CG 4.17Å; I627-F656 HydrophobicContact CG2-CB 3.92Å; I627-F656 HydrophobicContact CG2-CD2 4.13Å; I627-F656 HydrophobicContact CG2-CG 4.37Å; I627-V658 HydrophobicContact CD1-CB 4.42Å; I627-V658 HydrophobicContact CD1-CG2 3.85Å; I627-F734 HydrophobicContact CD1-CD1 4.27Å; I627-F734 HydrophobicContact CG1-CD1 3.99Å; I627-H735 PolarHBondContact N-O 3.07Å; I627-F736 HydrophobicContact CB-CD1 3.98Å; I627-F736 HydrophobicContact CB-CE1 4.33Å; I627-F736 HydrophobicContact CG1-CD1 4.34Å; I627-F736 HydrophobicContact CG1-CE1 4.22Å; I627-F736 HydrophobicContact CG2-CD1 3.98Å; I627-F736 HydrophobicContact CG2-CE1 4.28Å; I627-R737 PolarHBondContact O-N 3.44Å
628	K	98.1	Very high	89.9	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.6	163.8	174.4	165.1	69.4	173.1	0	109.1	F656 T657 M659 P680 N681 T739 A989 W990 A991	K628-F656 CarbonylContact O-C 3.34Å; K628-F656 WeakPolarHBondContact O-CA 3.3Å; K628-F656 WeakPolarHBondContact O-CB 3.24Å; K628-T657 PolarHBondContact N-O 2.97Å; K628-T657 PolarHBondContact O-N 2.71Å; K628-M659 HydrophobicContact CB-CG 3.49Å; K628-M659 VanDerWaalsContact CB-CG 3.49Å; K628-M659 HydrophobicContact CB-SD 3.8Å; K628-M659 HydrophobicContact CD-SD 4.19Å; K628-P680 PolarHBondContact NZ-O 2.66Å; K628-N681 PolarHBondContact NZ-OD1 2.93Å; K628-T739 WeakPolarHBondContact CD-OG1 3.14Å; K628-A989 PolarHBondContact NZ-O 2.92Å; K628-W990 HydrophobicContact CB-CE3 3.99Å; K628-W990 HydrophobicContact CB-CZ3 3.9Å; K628-W990 HydrophobicContact CD-CE3 4.19Å; K628-W990 WeakPolarHBondContact CD-O 3.35Å; K628-W990 HydrophobicContact CG-CE3 4.25Å; K628-A991 PolarHBondContact NZ-O 3.14Å
629	E	97.9	Very high	91.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.8	174.5	-47.3	-175.3	104.9	0	0	110.8	Y590 I627 F654 R713 F736 R737 T739 G740	Y590-E629 WeakPolarHBondContact CE1-OE1 3.41Å; Y590-E629 WeakPolarHBondContact OH-CG 3.25Å; Y590-E629 PolarHBondContact OH-OE1 3.23Å; I627-E629 HydrophobicContact CG2-CG 4.17Å; E629-F654 HydrophobicContact CB-CZ 4.18Å; E629-R713 IonicContact OE1-NE 3.83Å; E629-R713 IonicContact OE2-CZ 2.75Å; E629-R713 IonicContact OE2-NE 3.83Å; E629-R713 PolarHBondContact OE2-NE 2.98Å; E629-R713 IonicContact OE2-NH2 3.58Å; E629-R713 PolarHBondContact OE2-NH2 3.33Å; E629-F736 HydrophobicContact CG-CB 4.47Å; E629-F736 HydrophobicContact CG-CD1 4.29Å; E629-R737 PolarHBondContact N-O 2.95Å; E629-T739 PolarHBondContact O-N 3.27Å; E629-G740 WeakPolarHBondContact O-CA 3.35Å; E629-G740 PolarHBondContact O-N 3.02Å
630	C	96.5	Very high	92.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.4	-177.4	-48.6	0	0	0	0	110.9	F654 S655 G740 N995	C630-F654 CarbonylContact O-C 3.55Å; C630-F654 WeakPolarHBondContact O-CA 3.25Å; C630-S655 PolarHBondContact N-O 3.01Å; C630-S655 PolarHBondContact O-N 3.15Å; C630-S655 VanDerWaalsContact O-O 3.08Å; C630-G740 WeakPolarHBondContact CA-O 3.15Å; C630-N995 HydrophobicContact CB-CB 3.71Å; C630-N995 VanDerWaalsContact CB-CG 3.43Å; C630-N995 WeakPolarHBondContact CB-ND2 3.3Å
631	C	95.6	Very high	93.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.9	170	-165.7	0	0	0	0	109.3	V652 R653 F654 G740 Y741	C631-V652 WeakPolarHBondContact SG-CG1 3.41Å; C631-R653 WeakPolarHBondContact CA-O 3.13Å; C631-F654 HydrophobicContact CB-CD2 3.83Å; C631-F654 HydrophobicContact CB-CE2 4.43Å; C631-G740 PolarHBondContact N-O 3.2Å; C631-Y741 HydrophobicContact CB-CD1 3.75Å; C631-Y741 HydrophobicContact CB-CE1 3.5Å; C631-Y741 VanDerWaalsContact CB-CE1 3.5Å; C631-Y741 VanDerWaalsContact N-CD1 3.29Å
632	D	94.2	Very high	93.9	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	151.9	-172.2	-179.5	38.8	0	0	0	112.7	V652 R653 N995 N999	D632-V652 WeakPolarHBondContact O-CA 3.47Å; D632-R653 PolarHBondContact N-O 3.24Å; D632-R653 PolarHBondContact O-N 2.99Å; D632-N995 VanDerWaalsContact CB-ND2 3.31Å; D632-N995 WeakPolarHBondContact CB-ND2 3.16Å; D632-N999 PolarHBondContact OD2-ND2 2.94Å
633	G	92.2	Very high	94.1	Very high	17 Å²	17	39.2 Å²	39.2	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.4	-173.3	0	0	0	0	0	113.8
634	M	93.1	Very high	93.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.5	-176.3	-58.9	-176.9	62.1	0	0	111.8	V637 K650 A651 N999 F1002 R1003	M634-V637 HydrophobicContact CB-CG2 3.9Å; M634-V637 VanDerWaalsContact O-CG2 3.31Å; M634-V637 WeakPolarHBondContact O-CG2 3.49Å; M634-K650 CarbonylContact O-C 3.37Å; M634-K650 VanDerWaalsContact O-CA 3.29Å; M634-K650 WeakPolarHBondContact O-CA 3.26Å; M634-A651 WeakPolarHBondContact CA-O 3.48Å; M634-A651 HydrophobicContact CB-CB 4.48Å; M634-A651 VanDerWaalsContact CB-O 3.3Å; M634-A651 WeakPolarHBondContact CB-O 3.48Å; M634-A651 PolarHBondContact N-O 3.35Å; M634-A651 PolarHBondContact O-N 2.81Å; M634-N999 HydrophobicContact CE-CB 3.73Å; M634-N999 WeakPolarHBondContact CE-O 3.28Å; M634-N999 HydrophobicContact CG-CB 4.39Å; M634-N999 HydrophobicContact SD-CB 3.96Å; M634-N999 PolarHBondContact SD-OD1 3.49Å; M634-F1002 HydrophobicContact CE-CB 4.3Å; M634-F1002 HydrophobicContact CE-CD1 3.58Å; M634-F1002 HydrophobicContact CE-CE1 4.29Å; M634-F1002 HydrophobicContact CE-CG 4.26Å; M634-F1002 HydrophobicContact SD-CB 4.32Å; M634-F1002 HydrophobicContact SD-CD1 3.79Å; M634-F1002 HydrophobicContact SD-CE1 4.33Å; M634-F1002 HydrophobicContact SD-CG 4.12Å; M634-R1003 HydrophobicContact CE-CG 3.68Å
635	G	89.7	Confident	93.6	Very high	32 Å²	32	40.4 Å²	40.4	33%	0.33	27%	0.265	S	S	.	.			trans	-73.9	173	165.9	0	0	0	0	0	114	V637 R1003	G635-V637 WeakPolarHBondContact O-CG2 3.37Å; G635-V637 PolarHBondContact O-N 3.29Å; G635-R1003 VanDerWaalsContact O-CZ 3.24Å; G635-R1003 PolarHBondContact O-NH1 3.13Å; G635-R1003 PolarHBondContact O-NH2 2.95Å
636	D	90.4	Very high	93.3	Very high	153 Å²	153	43.6 Å²	43.6	82%	0.818	29%	0.292	S	S	*	.			trans	56.1	43.2	178.1	-51.3	-29.6	0	0	0	114.1	E649 R1003	D636-E649 PolarHBondContact N-O 3.32Å; D636-R1003 PolarHBondContact O-NH1 3.06Å
637	V	93.8	Very high	93.1	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	29%	0.29	C	S	.	.			trans	-107.8	70.8	-179	-172.2	0	0	0	0	109.8	M634 G635 E649 A651 F693 F1002	M634-V637 HydrophobicContact CB-CG2 3.9Å; M634-V637 VanDerWaalsContact O-CG2 3.31Å; M634-V637 WeakPolarHBondContact O-CG2 3.49Å; G635-V637 WeakPolarHBondContact O-CG2 3.37Å; G635-V637 PolarHBondContact O-N 3.29Å; V637-E649 PolarHBondContact N-O 2.86Å; V637-E649 WeakPolarHBondContact O-CA 3.46Å; V637-A651 HydrophobicContact CB-CB 4.41Å; V637-A651 HydrophobicContact CG1-CB 4.14Å; V637-A651 HydrophobicContact CG2-CB 4.19Å; V637-F693 HydrophobicContact CG1-CD1 4.34Å; V637-F693 HydrophobicContact CG1-CE1 3.78Å; V637-F1002 HydrophobicContact CG1-CE1 3.87Å; V637-F1002 HydrophobicContact CG1-CZ 4.41Å
638	S	92.7	Very high	92.9	Very high	67 Å²	67	45.4 Å²	45.4	47%	0.469	31%	0.305	S	S	.	.			trans	-44.9	138.9	-168.7	69.3	0	0	0	0	115.8	E649 R1006	S638-E649 WeakPolarHBondContact CA-OE1 3.47Å; S638-R1006 PolarHBondContact O-NH1 3.3Å; S638-R1006 PolarHBondContact O-NH2 3.18Å
639	E	95.1	Very high	92.7	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.35	33%	0.329	S	S	.	.			trans	-61.9	160	174.9	-166.3	178.1	-149.5	0	0	111.2	V647 E649 K1014	E639-V647 HydrophobicContact CG-CG2 3.86Å; E639-V647 PolarHBondContact OE1-N 3.47Å; E639-V647 VanDerWaalsContact OE1-N 3.17Å; E639-E649 PolarHBondContact N-OE1 2.92Å; E639-K1014 VanDerWaalsContact OE1-CE 3.31Å; E639-K1014 WeakPolarHBondContact OE1-CE 3.36Å; E639-K1014 IonicContact OE1-NZ 3.15Å; E639-K1014 PolarHBondContact OE1-NZ 2.97Å
640	K	93.1	Very high	92.5	Very high	34 Å²	34	53.7 Å²	53.7	15%	0.148	34%	0.343	C	S	.	.			trans	-112	136.7	166.9	-64.7	-175.7	-164.3	-68.2	0	110.2	K1014 E1017	K640-K1014 WeakPolarHBondContact O-CE 3.28Å; K640-E1017 WeakPolarHBondContact CD-OE1 3.3Å; K640-E1017 WeakPolarHBondContact CE-OE1 3.41Å; K640-E1017 WeakPolarHBondContact CE-OE2 3.46Å; K640-E1017 IonicContact NZ-OE2 2.81Å
641	H	92.5	Very high	92.4	Very high	194 Å²	194	53.7 Å²	53.7	90%	0.898	34%	0.343	S	S	*	.			trans	-60.3	141.3	163.8	-53.8	-52	0	0	0	111.1
642	G	90.8	Very high	92.5	Very high	52 Å²	52	53.8 Å²	53.8	54%	0.536	34%	0.343	S	S	.	.	S	Bend	trans	152.5	172.8	179.8	0	0	0	0	0	111.3
643	G	88.4	Confident	92.6	Very high	70 Å²	70	52.9 Å²	52.9	72%	0.722	34%	0.338	S	S	*	.	S	Bend	trans	-70.3	145.1	171.7	0	0	0	0	0	112.2
644	G	88.3	Confident	92.9	Very high	51 Å²	51	52.2 Å²	52.2	53%	0.526	33%	0.331	S	S	.	.	S	Bend	trans	137.6	168.9	-174.5	0	0	0	0	0	110.8
645	P	90.6	Very high	93.2	Very high	42 Å²	42	52.1 Å²	52.1	27%	0.273	33%	0.33	S	S	.	.			trans	-58.9	162.9	173.7	26.4	-35.4	0	0	0	111.5	D582 I584 V647 K1014	D582-P645 HydrophobicContact CB-CB 4.38Å; D582-P645 WeakPolarHBondContact OD1-CB 3.37Å; I584-P645 HydrophobicContact CD1-CG 4.41Å; I584-P645 HydrophobicContact CG1-CG 4.03Å; P645-V647 HydrophobicContact CG-CG1 4.32Å; P645-K1014 PolarHBondContact O-NZ 3.25Å
646	A	91.4	Very high	93.6	Very high	68 Å²	68	50.6 Å²	50.6	56%	0.562	32%	0.315	S	S	*	.			trans	-61.3	141.6	162	0	0	0	0	0	108.3	D582	D582-A646 VanDerWaalsContact O-O 3.14Å
647	V	93.5	Very high	94	Very high	18 Å²	18	43.4 Å²	43.4	11%	0.109	28%	0.276	C	S	.	.			trans	-133.2	143.2	176.9	-64.5	0	0	0	0	111.1	I584 E639 P645 F693	I584-V647 HydrophobicContact CD1-CG1 4.06Å; I584-V647 HydrophobicContact CG1-CG1 3.96Å; E639-V647 HydrophobicContact CG-CG2 3.86Å; E639-V647 PolarHBondContact OE1-N 3.47Å; E639-V647 VanDerWaalsContact OE1-N 3.17Å; P645-V647 HydrophobicContact CG-CG1 4.32Å; V647-F693 HydrophobicContact CB-CB 4.04Å; V647-F693 HydrophobicContact CG1-CB 4.45Å; V647-F693 HydrophobicContact CG2-CD2 4.47Å
648	P	92.9	Very high	94.2	Very high	49 Å²	49	43.5 Å²	43.5	32%	0.318	28%	0.277	S	S	.	.			trans	-64.9	151.1	179.6	27.3	-35.2	0	0	0	111.4	K650 F693	P648-K650 PolarHBondContact O-N 2.75Å; P648-F693 WeakPolarHBondContact CD-O 3.44Å; P648-F693 WeakPolarHBondContact CG-O 3.39Å
649	E	93.4	Very high	94.4	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	26%	0.258	S	S	.	.	S	Bend	trans	-76.6	27.9	172.7	-56.5	-149.8	127.3	0	0	113.1	D636 V637 S638 E639	D636-E649 PolarHBondContact N-O 3.32Å; V637-E649 PolarHBondContact N-O 2.86Å; V637-E649 WeakPolarHBondContact O-CA 3.46Å; S638-E649 WeakPolarHBondContact CA-OE1 3.47Å; E639-E649 PolarHBondContact N-OE1 2.92Å
650	K	94.1	Very high	94.5	Very high	65 Å²	65	38.3 Å²	38.3	28%	0.283	25%	0.248	S	C	.	.			trans	-121.1	150.6	174.9	-74.6	176.3	171.2	-178.9	0	109.3	M634 P648 F693 V694 D695	M634-K650 CarbonylContact O-C 3.37Å; M634-K650 VanDerWaalsContact O-CA 3.29Å; M634-K650 WeakPolarHBondContact O-CA 3.26Å; P648-K650 PolarHBondContact O-N 2.75Å; K650-F693 WeakPolarHBondContact O-CA 3.44Å; K650-V694 CarbonylContact C-O 3.41Å; K650-V694 WeakPolarHBondContact CB-O 3.43Å; K650-V694 PolarHBondContact O-N 3.05Å; K650-D695 HydrophobicContact CD-CB 3.93Å; K650-D695 WeakPolarHBondContact CD-OD1 3.35Å; K650-D695 VanDerWaalsContact CD-OD2 3.28Å; K650-D695 WeakPolarHBondContact CD-OD2 3.34Å; K650-D695 WeakPolarHBondContact CE-OD2 3.25Å; K650-D695 IonicContact NZ-OD1 3.64Å; K650-D695 PolarHBondContact NZ-OD1 3.08Å; K650-D695 IonicContact NZ-OD2 2.75Å; K650-D695 PolarHBondContact NZ-OD2 3.28Å
651	A	95.7	Very high	94.6	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.7	172	0	0	0	0	0	110.4	M634 V637 M692 F693 F1002	M634-A651 WeakPolarHBondContact CA-O 3.48Å; M634-A651 HydrophobicContact CB-CB 4.48Å; M634-A651 VanDerWaalsContact CB-O 3.3Å; M634-A651 WeakPolarHBondContact CB-O 3.48Å; M634-A651 PolarHBondContact N-O 3.35Å; M634-A651 PolarHBondContact O-N 2.81Å; V637-A651 HydrophobicContact CB-CB 4.41Å; V637-A651 HydrophobicContact CG1-CB 4.14Å; V637-A651 HydrophobicContact CG2-CB 4.19Å; A651-M692 CarbonylContact C-O 3.17Å; A651-M692 WeakPolarHBondContact CA-O 3.48Å; A651-M692 WeakPolarHBondContact CB-O 3.29Å; A651-F693 HydrophobicContact CB-CD1 3.93Å; A651-F693 HydrophobicContact CB-CE1 4.27Å; A651-F1002 HydrophobicContact CB-CE1 4.34Å; A651-F1002 HydrophobicContact CB-CZ 4.13Å
652	V	96.6	Very high	94.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.3	171.1	175.1	0	0	0	0	108.5	C631 D632 M692 E696 L702	C631-V652 WeakPolarHBondContact SG-CG1 3.41Å; D632-V652 WeakPolarHBondContact O-CA 3.47Å; V652-M692 HydrophobicContact CB-CG 3.68Å; V652-M692 HydrophobicContact CB-SD 3.97Å; V652-M692 HydrophobicContact CG1-CE 4.43Å; V652-M692 HydrophobicContact CG1-CG 4.41Å; V652-M692 HydrophobicContact CG1-SD 4.25Å; V652-M692 PolarHBondContact N-O 3.44Å; V652-M692 WeakPolarHBondContact O-CG 3.37Å; V652-M692 PolarHBondContact O-N 2.8Å; V652-M692 VanDerWaalsContact O-N 3.09Å; V652-E696 HydrophobicContact CG2-CB 4.25Å; V652-L702 HydrophobicContact CG1-CD1 4.05Å
653	R	97.3	Very high	94.7	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.1	176.7	173.7	170.4	62.8	77.3	15.4	111.5	C631 D632 S655 C690 L691 N995 N999	C631-R653 WeakPolarHBondContact CA-O 3.13Å; D632-R653 PolarHBondContact N-O 3.24Å; D632-R653 PolarHBondContact O-N 2.99Å; R653-S655 WeakPolarHBondContact CG-OG 3.32Å; R653-S655 PolarHBondContact NH1-OG 2.94Å; R653-C690 WeakPolarHBondContact CA-O 3.3Å; R653-L691 HydrophobicContact CB-CD2 4.01Å; R653-L691 VanDerWaalsContact CD-CD2 3.44Å; R653-L691 HydrophobicContact CG-CD2 3.6Å; R653-N995 PolarHBondContact NH1-OD1 3.43Å; R653-N995 PolarHBondContact NH2-O 3.05Å; R653-N995 PolarHBondContact NH2-OD1 3.47Å; R653-N999 PolarHBondContact NH2-OD1 3.16Å
654	F	98.1	Very high	94.5	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.3	167.1	-162.3	-79.1	0	0	0	109.5	Y590 E629 C630 C631 L689 C690 L706 I709 L819	Y590-F654 HydrophobicContact CE1-CE1 4.31Å; E629-F654 HydrophobicContact CB-CZ 4.18Å; C630-F654 CarbonylContact O-C 3.55Å; C630-F654 WeakPolarHBondContact O-CA 3.25Å; C631-F654 HydrophobicContact CB-CD2 3.83Å; C631-F654 HydrophobicContact CB-CE2 4.43Å; F654-L689 HydrophobicContact CD1-CB 4.14Å; F654-L689 HydrophobicContact CD1-CD2 3.75Å; F654-L689 HydrophobicContact CE1-CD2 3.9Å; F654-L689 PolarHBondContact O-N 2.59Å; F654-L689 VanDerWaalsContact O-N 3.08Å; F654-C690 HydrophobicContact CB-CB 4.13Å; F654-C690 PolarHBondContact N-O 3.38Å; F654-C690 PolarHBondContact O-N 2.98Å; F654-C690 VanDerWaalsContact O-N 3.15Å; F654-L706 HydrophobicContact CB-CD2 4.2Å; F654-L706 HydrophobicContact CD2-CD2 3.91Å; F654-L706 HydrophobicContact CG-CD2 4.35Å; F654-I709 HydrophobicContact CE1-CG2 4.25Å; F654-I709 HydrophobicContact CZ-CG2 4.41Å; F654-L819 HydrophobicContact CE2-CD2 4.12Å
655	S	98.3	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	159	-176	-62.7	0	0	0	0	110.6	C630 R653 K687 P688	C630-S655 PolarHBondContact N-O 3.01Å; C630-S655 PolarHBondContact O-N 3.15Å; C630-S655 VanDerWaalsContact O-O 3.08Å; R653-S655 WeakPolarHBondContact CG-OG 3.32Å; R653-S655 PolarHBondContact NH1-OG 2.94Å; S655-K687 CarbonylContact C-O 3.57Å; S655-K687 WeakPolarHBondContact CA-O 3.33Å; S655-K687 WeakPolarHBondContact CB-O 3.43Å; S655-P688 WeakPolarHBondContact OG-CA 3.44Å
656	F	98.4	Very high	92.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.3	179.8	72.2	-88.2	0	0	0	112.6	Y590 A593 L594 A597 I627 K628 K687 L689 W1026	Y590-F656 HydrophobicContact CD2-CE1 4.46Å; Y590-F656 AromaticContact CE2-CD1 3.77Å; Y590-F656 HydrophobicContact CE2-CD1 3.77Å; Y590-F656 HydrophobicContact CE2-CE1 4.08Å; Y590-F656 HydrophobicContact CE2-CG 4.09Å; A593-F656 HydrophobicContact CB-CE1 4.08Å; A593-F656 HydrophobicContact CB-CZ 4.24Å; L594-F656 HydrophobicContact CD2-CD2 4.14Å; L594-F656 HydrophobicContact CD2-CE2 3.73Å; L594-F656 HydrophobicContact CD2-CZ 4.17Å; A597-F656 HydrophobicContact CB-CE2 3.89Å; A597-F656 HydrophobicContact CB-CZ 4.01Å; I627-F656 HydrophobicContact CG2-CB 3.92Å; I627-F656 HydrophobicContact CG2-CD2 4.13Å; I627-F656 HydrophobicContact CG2-CG 4.37Å; K628-F656 CarbonylContact O-C 3.34Å; K628-F656 WeakPolarHBondContact O-CA 3.3Å; K628-F656 WeakPolarHBondContact O-CB 3.24Å; F656-K687 HydrophobicContact CE1-CB 4.37Å; F656-K687 HydrophobicContact CE2-CB 4.49Å; F656-K687 HydrophobicContact CE2-CD 4.32Å; F656-K687 HydrophobicContact CZ-CB 4.29Å; F656-K687 HydrophobicContact CZ-CD 4.36Å; F656-K687 PolarHBondContact N-O 2.76Å; F656-K687 PolarHBondContact O-N 2.79Å; F656-L689 HydrophobicContact CD1-CB 4.16Å; F656-L689 HydrophobicContact CE1-CB 4.41Å; F656-L689 HydrophobicContact CE1-CD1 4.25Å; F656-W1026 HydrophobicContact CE1-CH2 4.43Å; F656-W1026 HydrophobicContact CE1-CZ3 4.16Å; F656-W1026 HydrophobicContact CZ-CH2 4.03Å; F656-W1026 HydrophobicContact CZ-CZ3 4.19Å
657	T	98.4	Very high	91	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.8	174.4	-66.3	0	0	0	0	109	K628 M659 E677 S685 C686	K628-T657 PolarHBondContact N-O 2.97Å; K628-T657 PolarHBondContact O-N 2.71Å; T657-M659 HydrophobicContact CG2-SD 4.06Å; T657-M659 PolarHBondContact O-N 3.08Å; T657-E677 HydrophobicContact CG2-CG 4.3Å; T657-S685 WeakPolarHBondContact CB-O 3.42Å; T657-S685 WeakPolarHBondContact CG2-O 3.35Å; T657-S685 PolarHBondContact OG1-O 3.39Å; T657-C686 WeakPolarHBondContact OG1-CA 3.47Å
658	V	98.3	Very high	89.5	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	113.1	165.3	-176.7	0	0	0	0	106.9	A597 L601 V625 I627 V661 F675	A597-V658 HydrophobicContact CB-CG2 4.43Å; L601-V658 HydrophobicContact CD1-CB 3.85Å; L601-V658 HydrophobicContact CD1-CG1 3.86Å; L601-V658 HydrophobicContact CD1-CG2 3.97Å; V625-V658 HydrophobicContact CG1-CG1 3.99Å; I627-V658 HydrophobicContact CD1-CB 4.42Å; I627-V658 HydrophobicContact CD1-CG2 3.85Å; V658-V661 HydrophobicContact CG1-CG2 3.98Å; V658-F675 HydrophobicContact CG1-CE1 4.4Å
659	M	97.5	Very high	88	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.059	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.8	-175.5	-70.2	-69.6	-64.1	0	0	111.5	M626 K628 T657 T676 E677 P680 A989 W990	M626-M659 HydrophobicContact CB-CB 4.27Å; M626-M659 PolarHBondContact O-N 3.17Å; K628-M659 HydrophobicContact CB-CG 3.49Å; K628-M659 VanDerWaalsContact CB-CG 3.49Å; K628-M659 HydrophobicContact CB-SD 3.8Å; K628-M659 HydrophobicContact CD-SD 4.19Å; T657-M659 HydrophobicContact CG2-SD 4.06Å; T657-M659 PolarHBondContact O-N 3.08Å; M659-T676 CarbonylContact O-C 3.55Å; M659-T676 WeakPolarHBondContact O-CA 3.4Å; M659-E677 PolarHBondContact O-N 3.1Å; M659-P680 HydrophobicContact CE-CB 3.62Å; M659-P680 HydrophobicContact CE-CG 4.34Å; M659-P680 HydrophobicContact SD-CB 3.65Å; M659-A989 HydrophobicContact CE-CB 4.04Å; M659-A989 WeakPolarHBondContact CE-O 3.34Å; M659-W990 HydrophobicContact CB-CH2 3.96Å; M659-W990 HydrophobicContact CB-CZ3 4.31Å; M659-W990 HydrophobicContact CE-CD2 4.16Å; M659-W990 HydrophobicContact CE-CE3 4.22Å; M659-W990 HydrophobicContact CE-CH2 4.33Å; M659-W990 HydrophobicContact CE-CZ2 4.3Å; M659-W990 HydrophobicContact CE-CZ3 4.31Å; M659-W990 HydrophobicContact CG-CE3 4.32Å; M659-W990 HydrophobicContact CG-CH2 3.83Å; M659-W990 HydrophobicContact CG-CZ3 3.67Å
660	S	96.8	Very high	87.1	Confident	21 Å²	21	48.6 Å²	48.6	15%	0.147	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.9	173.2	56.2	0	0	0	0	111.2	M626 F675	M626-S660 WeakPolarHBondContact CB-OG 3.28Å; M626-S660 VanDerWaalsContact CG-OG 3.24Å; M626-S660 WeakPolarHBondContact CG-OG 3.43Å; M626-S660 PolarHBondContact N-O 2.89Å; S660-F675 CarbonylContact C-O 3.29Å; S660-F675 WeakPolarHBondContact CA-O 3.27Å; S660-F675 WeakPolarHBondContact CB-O 3.49Å
661	V	96.4	Very high	86.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.6	164	-176.3	0	0	0	0	107.2	L598 I605 F623 R624 V625 V658 I674 F675	L598-V661 HydrophobicContact CD2-CG2 4.32Å; I605-V661 HydrophobicContact CD1-CG1 4.49Å; I605-V661 HydrophobicContact CD1-CG2 4.12Å; I605-V661 HydrophobicContact CG1-CG2 4.41Å; F623-V661 HydrophobicContact CD1-CG1 4.06Å; R624-V661 WeakPolarHBondContact O-CA 3.3Å; V625-V661 HydrophobicContact CG1-CG2 4.39Å; V625-V661 HydrophobicContact CG2-CG1 4.41Å; V625-V661 HydrophobicContact CG2-CG2 4.42Å; V658-V661 HydrophobicContact CG1-CG2 3.98Å; V661-I674 PolarHBondContact O-N 2.96Å; V661-F675 HydrophobicContact CB-CB 4.12Å; V661-F675 HydrophobicContact CG2-CB 4.44Å; V661-F675 HydrophobicContact CG2-CD1 4.33Å; V661-F675 PolarHBondContact N-O 2.98Å; V661-F675 PolarHBondContact O-N 3.29Å
662	S	94.3	Very high	86.3	Confident	2 Å²	2	51 Å²	51	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.1	179.8	38.2	0	0	0	0	110.1	F623 R624 E671 V672	F623-S662 CarbonylContact C-O 3.6Å; F623-S662 VanDerWaalsContact CA-O 3.32Å; F623-S662 WeakPolarHBondContact CA-O 3.16Å; R624-S662 PolarHBondContact N-O 2.77Å; R624-S662 PolarHBondContact O-N 2.97Å; R624-S662 PolarHBondContact O-OG 2.86Å; S662-E671 VanDerWaalsContact CB-OE1 3.28Å; S662-E671 WeakPolarHBondContact CB-OE1 3.46Å; S662-E671 PolarHBondContact OG-OE1 2.62Å; S662-V672 CarbonylContact C-O 3.31Å; S662-V672 WeakPolarHBondContact CA-O 3.47Å; S662-V672 VanDerWaalsContact CB-O 3.3Å; S662-V672 WeakPolarHBondContact CB-O 3.06Å
663	I	90.7	Very high	86	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.5	173.7	-167.3	168.5	0	0	0	109.5	M614 C619 F623 V672 I674	M614-I663 HydrophobicContact CE-CG2 3.81Å; M614-I663 HydrophobicContact SD-CG2 3.93Å; C619-I663 HydrophobicContact CB-CD1 3.61Å; F623-I663 HydrophobicContact CD1-CB 4.37Å; F623-I663 HydrophobicContact CD2-CD1 4.46Å; F623-I663 HydrophobicContact CE1-CD1 4.16Å; F623-I663 HydrophobicContact CE2-CD1 4.06Å; F623-I663 HydrophobicContact CZ-CD1 3.91Å; I663-V672 HydrophobicContact CG2-CB 4.15Å; I663-V672 PolarHBondContact N-O 2.97Å; I663-V672 PolarHBondContact O-N 3.49Å; I663-I674 HydrophobicContact CB-CD1 3.76Å; I663-I674 HydrophobicContact CG2-CD1 3.66Å; I663-I674 HydrophobicContact CG2-CG1 4.07Å
664	Q	84.3	Confident	85.8	Confident	71 Å²	71	55.2 Å²	55.2	33%	0.332	28%	0.28	S	S	.	.			trans	-117.6	112.4	164.4	-175.6	173.3	24.7	0	0	107.2	G622	G622-Q664 PolarHBondContact O-N 3.02Å
665	A	72.1	Confident	85.7	Confident	33 Å²	33	55.9 Å²	55.9	27%	0.273	28%	0.284	S	S	.	.			trans	-71.9	159.4	174.2	0	0	0	0	0	110.5	M614 D667 E668	M614-A665 HydrophobicContact CE-CB 4.48Å; A665-D667 VanDerWaalsContact C-N 3.32Å; A665-D667 PolarHBondContact O-N 2.93Å; A665-E668 HydrophobicContact CB-CB 4.37Å
666	E	64.4	Low	85.6	Confident	168 Å²	168	60 Å²	60	79%	0.785	31%	0.309	S	S	*	.	S	Bend	trans	-73.3	-25.4	-177.7	-59.1	-165.2	153.5	0	0	112.7
667	D	60	Low	85.5	Confident	167 Å²	167	60.6 Å²	60.6	89%	0.893	31%	0.311	S	S	*	.	S	Bend	trans	-93.2	-10.1	179.7	-64.1	-57.5	0	0	0	114.5	A665	A665-D667 VanDerWaalsContact C-N 3.32Å; A665-D667 PolarHBondContact O-N 2.93Å
668	E	61.9	Low	85.3	Confident	106 Å²	106	65.1 Å²	65.1	50%	0.495	34%	0.341	S	S	.	.			trans	-116.4	137.1	-174.3	-64.6	-169	147.5	0	0	113	A665	A665-E668 HydrophobicContact CB-CB 4.37Å
669	Q	60.8	Low	85.1	Confident	193 Å²	193	71.3 Å²	71.3	90%	0.902	37%	0.367	S	S	*	.	S	Bend	trans	-82.3	-21.3	179.5	-68.4	-170.6	-8.3	0	0	114
670	E	75	Confident	84.9	Confident	162 Å²	162	71.1 Å²	71.1	76%	0.757	37%	0.367	S	S	*	.	S	Bend	trans	-92.1	149.3	-177.4	-62	-161.8	157.2	0	0	112.5
671	E	83.6	Confident	84.8	Confident	78 Å²	78	71.9 Å²	71.9	36%	0.364	37%	0.37	S	S	.	.			trans	-93.7	103.7	-178.5	-178	172.7	160.4	0	0	110.6	R624 S662 T673	R624-E671 WeakPolarHBondContact CD-OE1 3.33Å; R624-E671 VanDerWaalsContact CD-OE2 3.26Å; R624-E671 WeakPolarHBondContact CD-OE2 3.49Å; R624-E671 IonicContact CZ-OE2 2.65Å; R624-E671 IonicContact NE-OE2 2.81Å; R624-E671 IonicContact NH1-OE2 3.55Å; R624-E671 PolarHBondContact NH1-OE2 3.42Å; S662-E671 VanDerWaalsContact CB-OE1 3.28Å; S662-E671 WeakPolarHBondContact CB-OE1 3.46Å; S662-E671 PolarHBondContact OG-OE1 2.62Å; E671-T673 PolarHBondContact O-N 2.9Å
672	V	88.4	Confident	84.7	Confident	40 Å²	40	72.9 Å²	72.9	24%	0.242	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.9	-177.4	-178.4	0	0	0	0	110.1	T612 M614 S662 I663	T612-V672 HydrophobicContact CG2-CG1 3.89Å; M614-V672 HydrophobicContact SD-CG1 4.24Å; S662-V672 CarbonylContact C-O 3.31Å; S662-V672 WeakPolarHBondContact CA-O 3.47Å; S662-V672 VanDerWaalsContact CB-O 3.3Å; S662-V672 WeakPolarHBondContact CB-O 3.06Å; I663-V672 HydrophobicContact CG2-CB 4.15Å; I663-V672 PolarHBondContact N-O 2.97Å; I663-V672 PolarHBondContact O-N 3.49Å
673	T	91.6	Very high	84.7	Confident	74 Å²	74	74.6 Å²	74.6	45%	0.454	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.4	178.6	-60.4	0	0	0	0	110.9	E671 F675 T676	E671-T673 PolarHBondContact O-N 2.9Å; T673-F675 WeakPolarHBondContact CG2-O 3.5Å; T673-T676 VanDerWaalsContact CG2-OG1 3.28Å; T673-T676 WeakPolarHBondContact CG2-OG1 3.26Å
674	I	93.4	Very high	84.9	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.082	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-45.8	-177.9	-62	167.5	0	0	0	110.9	I605 L609 F623 V661 I663	I605-I674 HydrophobicContact CG2-CG2 4.16Å; I605-I674 VanDerWaalsContact O-CG2 3.23Å; I605-I674 WeakPolarHBondContact O-CG2 3.36Å; L609-I674 HydrophobicContact CD2-CD1 3.56Å; L609-I674 HydrophobicContact CD2-CG1 4.2Å; L609-I674 HydrophobicContact CG-CD1 4.03Å; L609-I674 HydrophobicContact CG-CG2 4.25Å; F623-I674 HydrophobicContact CD1-CD1 4.06Å; F623-I674 HydrophobicContact CE1-CD1 3.59Å; V661-I674 PolarHBondContact O-N 2.96Å; I663-I674 HydrophobicContact CB-CD1 3.76Å; I663-I674 HydrophobicContact CG2-CD1 3.66Å; I663-I674 HydrophobicContact CG2-CG1 4.07Å
675	F	95.4	Very high	85.4	Confident	19 Å²	19	74.1 Å²	74.1	8%	0.083	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.1	-178.8	172.6	-95.9	0	0	0	110.4	L601 D604 V658 S660 V661 T673 E677	L601-F675 HydrophobicContact CD1-CE1 4.29Å; L601-F675 HydrophobicContact CD2-CD2 4.47Å; L601-F675 HydrophobicContact CD2-CE1 4.15Å; L601-F675 HydrophobicContact CD2-CE2 3.78Å; L601-F675 HydrophobicContact CD2-CZ 3.6Å; D604-F675 HydrophobicContact CB-CD2 3.93Å; D604-F675 HydrophobicContact CB-CE2 4.14Å; V658-F675 HydrophobicContact CG1-CE1 4.4Å; S660-F675 CarbonylContact C-O 3.29Å; S660-F675 WeakPolarHBondContact CA-O 3.27Å; S660-F675 WeakPolarHBondContact CB-O 3.49Å; V661-F675 HydrophobicContact CB-CB 4.12Å; V661-F675 HydrophobicContact CG2-CB 4.44Å; V661-F675 HydrophobicContact CG2-CD1 4.33Å; V661-F675 PolarHBondContact N-O 2.98Å; V661-F675 PolarHBondContact O-N 3.29Å; T673-F675 WeakPolarHBondContact CG2-O 3.5Å; F675-E677 HydrophobicContact CE1-CB 4.23Å; F675-E677 HydrophobicContact CZ-CB 4.29Å
676	T	95.7	Very high	86.6	Confident	86 Å²	86	72.6 Å²	72.6	53%	0.528	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.8	165.9	-68.3	0	0	0	0	108.6	M659 T673 P678	M659-T676 CarbonylContact O-C 3.55Å; M659-T676 WeakPolarHBondContact O-CA 3.4Å; T673-T676 VanDerWaalsContact CG2-OG1 3.28Å; T673-T676 WeakPolarHBondContact CG2-OG1 3.26Å; T676-P678 WeakPolarHBondContact O-CD 3.06Å; T676-P678 VanDerWaalsContact O-N 3.15Å
677	E	96.7	Very high	88.2	Confident	12 Å²	12	65 Å²	65	6%	0.056	34%	0.336	C	S	.	.			trans	-63.7	113.1	178.3	168.7	56.2	-115.8	0	0	109.9	T657 M659 F675 K679 P680 S685 K1031	T657-E677 HydrophobicContact CG2-CG 4.3Å; M659-E677 PolarHBondContact O-N 3.1Å; F675-E677 HydrophobicContact CE1-CB 4.23Å; F675-E677 HydrophobicContact CZ-CB 4.29Å; E677-K679 PolarHBondContact O-N 3.17Å; E677-K679 PolarHBondContact OE1-N 3.17Å; E677-P680 HydrophobicContact CG-CB 4.2Å; E677-P680 WeakPolarHBondContact O-CD 3.46Å; E677-S685 WeakPolarHBondContact OE2-CB 3.39Å; E677-K1031 IonicContact OE1-NZ 2.67Å; E677-K1031 PolarHBondContact OE1-NZ 2.87Å; E677-K1031 WeakPolarHBondContact OE2-CE 3.5Å; E677-K1031 IonicContact OE2-NZ 2.7Å; E677-K1031 PolarHBondContact OE2-NZ 3.14Å
678	P	93	Very high	90	Very high	99 Å²	99	57.1 Å²	57.1	64%	0.643	29%	0.294	S	S	*	.	S	Bend	trans	-71.9	-14	-173.9	29.3	-37.2	0	0	0	113.3	T676	T676-P678 WeakPolarHBondContact O-CD 3.06Å; T676-P678 VanDerWaalsContact O-N 3.15Å
679	K	94.6	Very high	91.8	Very high	136 Å²	136	52 Å²	52	59%	0.591	27%	0.27	S	S	*	.			trans	-137.8	70.2	-179.8	-64.5	173.7	-173.4	154.3	0	110.5	E677 N681 S682 S685	E677-K679 PolarHBondContact O-N 3.17Å; E677-K679 PolarHBondContact OE1-N 3.17Å; K679-N681 PolarHBondContact O-N 3.34Å; K679-S682 WeakPolarHBondContact O-CB 3.35Å; K679-S682 PolarHBondContact O-N 3.2Å; K679-S685 PolarHBondContact O-OG 3.42Å; K679-S685 VanDerWaalsContact O-OG 3.08Å
680	P	93.9	Very high	93.6	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.052	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-2.8	-172.2	30.7	-37	0	0	0	114.4	K628 M659 E677 T930 A989	K628-P680 PolarHBondContact NZ-O 2.66Å; M659-P680 HydrophobicContact CE-CB 3.62Å; M659-P680 HydrophobicContact CE-CG 4.34Å; M659-P680 HydrophobicContact SD-CB 3.65Å; E677-P680 HydrophobicContact CG-CB 4.2Å; E677-P680 WeakPolarHBondContact O-CD 3.46Å; P680-T930 HydrophobicContact CG-CG2 4.04Å; P680-A989 HydrophobicContact CG-CB 4.01Å
681	N	94.4	Very high	94.7	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	19	175.2	-67	-38.6	0	0	0	113	K628 K679 G988 A991 E993 G994	K628-N681 PolarHBondContact NZ-OD1 2.93Å; K679-N681 PolarHBondContact O-N 3.34Å; N681-G988 PolarHBondContact ND2-O 3Å; N681-A991 PolarHBondContact OD1-O 3.2Å; N681-E993 HydrophobicContact CB-CB 4.26Å; N681-G994 VanDerWaalsContact C-CA 3.47Å; N681-G994 WeakPolarHBondContact O-CA 3.38Å
682	S	95.1	Very high	95.3	Very high	20 Å²	20	31.5 Å²	31.5	14%	0.14	17%	0.174	C	C	.	.	S	Bend	trans	-89.2	148.8	175.2	-174.2	0	0	0	0	112.2	K679 L684 S685	K679-S682 WeakPolarHBondContact O-CB 3.35Å; K679-S682 PolarHBondContact O-N 3.2Å; S682-L684 PolarHBondContact O-N 3.14Å; S682-L684 VanDerWaalsContact O-N 3.15Å; S682-L684 WeakPolarHBondContact OG-CB 3.24Å; S682-L684 PolarHBondContact OG-N 3.15Å; S682-S685 PolarHBondContact O-N 3.5Å; S682-S685 PolarHBondContact O-OG 2.67Å
683	E	93.6	Very high	95.6	Very high	39 Å²	39	29.7 Å²	29.7	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.4	168	71.3	-96	-114.4	0	0	113.9	K1000 L1001 Y1028	E683-K1000 IonicContact OE1-NZ 3.98Å; E683-K1000 PolarHBondContact OE1-NZ 3.48Å; E683-L1001 HydrophobicContact CB-CD1 3.7Å; E683-L1001 HydrophobicContact CB-CG 4.13Å; E683-L1001 HydrophobicContact CG-CD1 3.87Å; E683-L1001 HydrophobicContact CG-CD2 4.25Å; E683-L1001 HydrophobicContact CG-CG 4.11Å; E683-L1001 WeakPolarHBondContact O-CD1 3.35Å; E683-Y1028 HydrophobicContact CG-CE1 4.37Å
684	L	95.1	Very high	95.8	Very high	55 Å²	55	26.2 Å²	26.2	29%	0.288	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-19.2	178.2	-67.9	170.3	0	0	0	114.1	S682 Y1028 T1029 Q1034	S682-L684 PolarHBondContact O-N 3.14Å; S682-L684 VanDerWaalsContact O-N 3.15Å; S682-L684 WeakPolarHBondContact OG-CB 3.24Å; S682-L684 PolarHBondContact OG-N 3.15Å; L684-Y1028 HydrophobicContact CD2-CD1 4.43Å; L684-Y1028 HydrophobicContact CD2-CE1 3.64Å; L684-T1029 WeakPolarHBondContact O-CA 3.48Å; L684-Q1034 HydrophobicContact CD2-CG 4.49Å; L684-Q1034 PolarHBondContact O-NE2 3.44Å
685	S	94.3	Very high	95.7	Very high	7 Å²	7	27.6 Å²	27.6	5%	0.049	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-2.6	-174.6	47.4	0	0	0	0	113.9	T657 E677 K679 S682 K687	T657-S685 WeakPolarHBondContact CB-O 3.42Å; T657-S685 WeakPolarHBondContact CG2-O 3.35Å; T657-S685 PolarHBondContact OG1-O 3.39Å; E677-S685 WeakPolarHBondContact OE2-CB 3.39Å; K679-S685 PolarHBondContact O-OG 3.42Å; K679-S685 VanDerWaalsContact O-OG 3.08Å; S682-S685 PolarHBondContact O-N 3.5Å; S682-S685 PolarHBondContact O-OG 2.67Å; S685-K687 PolarHBondContact O-N 2.86Å
686	C	97.6	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	16%	0.155	C	C	.	.			trans	-87.7	82.1	177.3	-167	0	0	0	0	111.3	T657 A998	T657-C686 WeakPolarHBondContact OG1-CA 3.47Å; C686-A998 HydrophobicContact CB-CB 4.29Å
687	K	98.2	Very high	95	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.3	-177.1	-66.6	-176.2	-174.8	-74.6	0	110.8	A597 D600 S655 F656 S685 W1026 T1029	A597-K687 HydrophobicContact CB-CD 3.58Å; D600-K687 IonicContact OD2-NZ 2.66Å; D600-K687 PolarHBondContact OD2-NZ 3.18Å; S655-K687 CarbonylContact C-O 3.57Å; S655-K687 WeakPolarHBondContact CA-O 3.33Å; S655-K687 WeakPolarHBondContact CB-O 3.43Å; F656-K687 HydrophobicContact CE1-CB 4.37Å; F656-K687 HydrophobicContact CE2-CB 4.49Å; F656-K687 HydrophobicContact CE2-CD 4.32Å; F656-K687 HydrophobicContact CZ-CB 4.29Å; F656-K687 HydrophobicContact CZ-CD 4.36Å; F656-K687 PolarHBondContact N-O 2.76Å; F656-K687 PolarHBondContact O-N 2.79Å; S685-K687 PolarHBondContact O-N 2.86Å; K687-W1026 HydrophobicContact CB-CE3 4.3Å; K687-W1026 HydrophobicContact CB-CH2 4.39Å; K687-W1026 HydrophobicContact CB-CZ3 3.89Å; K687-W1026 HydrophobicContact CD-CH2 3.92Å; K687-W1026 HydrophobicContact CD-CZ2 4.28Å; K687-W1026 HydrophobicContact CD-CZ3 4.27Å; K687-T1029 PolarHBondContact NZ-O 2.95Å
688	P	98.1	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.2	-178.2	32.5	-36.6	0	0	0	112.3	S655 L1022 H1025 W1026	S655-P688 WeakPolarHBondContact OG-CA 3.44Å; P688-L1022 HydrophobicContact CB-CD1 3.88Å; P688-L1022 HydrophobicContact CG-CD1 4.04Å; P688-L1022 WeakPolarHBondContact O-CD1 3.19Å; P688-H1025 HydrophobicContact CG-CB 3.87Å; P688-W1026 HydrophobicContact CG-CB 4.42Å
689	L	98.4	Very high	94.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-47.2	177.7	-175.1	68.5	0	0	0	112.5	R587 F588 Y590 A593 F654 F656 I709	R587-L689 CarbonylContact C-O 3.6Å; R587-L689 WeakPolarHBondContact CA-O 3.22Å; R587-L689 WeakPolarHBondContact CB-O 3.45Å; F588-L689 HydrophobicContact CB-CD1 4.18Å; F588-L689 PolarHBondContact N-O 2.64Å; Y590-L689 HydrophobicContact CD1-CD2 3.82Å; Y590-L689 HydrophobicContact CD2-CD1 3.93Å; Y590-L689 HydrophobicContact CD2-CD2 3.6Å; Y590-L689 HydrophobicContact CD2-CG 4.43Å; Y590-L689 HydrophobicContact CE1-CD2 4Å; Y590-L689 HydrophobicContact CE2-CD2 3.8Å; Y590-L689 HydrophobicContact CG-CD1 4.31Å; Y590-L689 HydrophobicContact CG-CD2 3.62Å; A593-L689 HydrophobicContact CB-CD1 3.67Å; F654-L689 HydrophobicContact CD1-CB 4.14Å; F654-L689 HydrophobicContact CD1-CD2 3.75Å; F654-L689 HydrophobicContact CE1-CD2 3.9Å; F654-L689 PolarHBondContact O-N 2.59Å; F654-L689 VanDerWaalsContact O-N 3.08Å; F656-L689 HydrophobicContact CD1-CB 4.16Å; F656-L689 HydrophobicContact CE1-CB 4.41Å; F656-L689 HydrophobicContact CE1-CD1 4.25Å; L689-I709 HydrophobicContact CD2-CD1 4.33Å; L689-I709 HydrophobicContact CD2-CG2 3.68Å
690	C	98.4	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.2	-178.8	-175.6	0	0	0	0	112	R586 R587 R653 F654 I709	R586-C690 WeakPolarHBondContact O-CA 3.49Å; R587-C690 HydrophobicContact CB-CB 3.76Å; R653-C690 WeakPolarHBondContact CA-O 3.3Å; F654-C690 HydrophobicContact CB-CB 4.13Å; F654-C690 PolarHBondContact N-O 3.38Å; F654-C690 PolarHBondContact O-N 2.98Å; F654-C690 VanDerWaalsContact O-N 3.15Å; C690-I709 HydrophobicContact CB-CD1 3.67Å
691	L	98.3	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.6	171.9	-54.3	177.8	0	0	0	109.2	T585 R586 R653 F1002 L1018 V1021 L1022	T585-L691 CarbonylContact C-O 3.51Å; T585-L691 VanDerWaalsContact CA-O 3.28Å; T585-L691 WeakPolarHBondContact CA-O 3.05Å; R586-L691 PolarHBondContact N-O 3Å; R586-L691 PolarHBondContact O-N 3.08Å; R653-L691 HydrophobicContact CB-CD2 4.01Å; R653-L691 VanDerWaalsContact CD-CD2 3.44Å; R653-L691 HydrophobicContact CG-CD2 3.6Å; L691-F1002 HydrophobicContact CD1-CD2 4.32Å; L691-F1002 HydrophobicContact CD1-CE2 4.17Å; L691-F1002 HydrophobicContact CD2-CD2 4.07Å; L691-F1002 HydrophobicContact CD2-CE2 4.21Å; L691-L1018 HydrophobicContact CB-CB 4.44Å; L691-L1018 HydrophobicContact CB-CD1 4.31Å; L691-L1018 HydrophobicContact CB-CD2 4.09Å; L691-L1018 HydrophobicContact CD1-CD2 4.37Å; L691-V1021 HydrophobicContact CD1-CB 4.03Å; L691-V1021 HydrophobicContact CD1-CG1 3.74Å; L691-L1022 HydrophobicContact CD1-CB 3.82Å; L691-L1022 HydrophobicContact CG-CB 4.44Å; L691-L1022 HydrophobicContact CG-CD1 4.43Å
692	M	96.4	Very high	94.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.4	179.6	63.9	-177	86.6	0	0	111.8	T585 A651 V652 V694 L702 V705 L706	T585-M692 HydrophobicContact CG2-CB 3.46Å; T585-M692 VanDerWaalsContact CG2-CB 3.46Å; A651-M692 CarbonylContact C-O 3.17Å; A651-M692 WeakPolarHBondContact CA-O 3.48Å; A651-M692 WeakPolarHBondContact CB-O 3.29Å; V652-M692 HydrophobicContact CB-CG 3.68Å; V652-M692 HydrophobicContact CB-SD 3.97Å; V652-M692 HydrophobicContact CG1-CE 4.43Å; V652-M692 HydrophobicContact CG1-CG 4.41Å; V652-M692 HydrophobicContact CG1-SD 4.25Å; V652-M692 PolarHBondContact N-O 3.44Å; V652-M692 WeakPolarHBondContact O-CG 3.37Å; V652-M692 PolarHBondContact O-N 2.8Å; V652-M692 VanDerWaalsContact O-N 3.09Å; M692-V694 HydrophobicContact CB-CG2 3.83Å; M692-V694 HydrophobicContact CG-CB 3.97Å; M692-V694 HydrophobicContact CG-CG2 3.76Å; M692-V694 PolarHBondContact O-N 3.24Å; M692-V694 HydrophobicContact SD-CB 3.97Å; M692-V694 HydrophobicContact SD-CG1 4.46Å; M692-V694 HydrophobicContact SD-CG2 3.75Å; M692-L702 HydrophobicContact SD-CD1 4Å; M692-V705 HydrophobicContact CB-CG1 4.4Å; M692-V705 HydrophobicContact CE-CB 4.16Å; M692-V705 HydrophobicContact CE-CG1 3.49Å; M692-V705 VanDerWaalsContact CE-CG1 3.49Å; M692-V705 HydrophobicContact SD-CB 4.17Å; M692-V705 HydrophobicContact SD-CG1 3.9Å; M692-L706 HydrophobicContact CE-CD2 3.62Å; M692-L706 HydrophobicContact CE-CG 4.02Å
693	F	96.5	Very high	94.4	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	15%	0.149	C	C	.	.			trans	-92.4	89	167.3	-66.4	-59	0	0	0	109.2	T583 I584 V637 V647 P648 K650 A651 F1002 E1017 L1018	T583-F693 WeakPolarHBondContact CB-O 3.31Å; T583-F693 PolarHBondContact OG1-O 3.26Å; I584-F693 HydrophobicContact CB-CD2 4.21Å; I584-F693 PolarHBondContact O-N 2.77Å; I584-F693 VanDerWaalsContact O-N 3.16Å; V637-F693 HydrophobicContact CG1-CD1 4.34Å; V637-F693 HydrophobicContact CG1-CE1 3.78Å; V647-F693 HydrophobicContact CB-CB 4.04Å; V647-F693 HydrophobicContact CG1-CB 4.45Å; V647-F693 HydrophobicContact CG2-CD2 4.47Å; P648-F693 WeakPolarHBondContact CD-O 3.44Å; P648-F693 WeakPolarHBondContact CG-O 3.39Å; K650-F693 WeakPolarHBondContact O-CA 3.44Å; A651-F693 HydrophobicContact CB-CD1 3.93Å; A651-F693 HydrophobicContact CB-CE1 4.27Å; F693-F1002 HydrophobicContact CE1-CZ 4.32Å; F693-E1017 HydrophobicContact CE2-CG 4.25Å; F693-E1017 HydrophobicContact CZ-CG 4.33Å; F693-L1018 HydrophobicContact CD2-CD1 3.95Å; F693-L1018 HydrophobicContact CD2-CG 4.36Å; F693-L1018 HydrophobicContact CE1-CD2 4.27Å; F693-L1018 HydrophobicContact CE2-CD1 3.86Å; F693-L1018 HydrophobicContact CE2-CD2 3.83Å; F693-L1018 HydrophobicContact CE2-CG 3.76Å; F693-L1018 HydrophobicContact CZ-CD1 4.46Å; F693-L1018 HydrophobicContact CZ-CD2 3.65Å; F693-L1018 HydrophobicContact CZ-CG 4.12Å
694	V	94.1	Very high	94.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.157	C	C	.	.			trans	-141	149.5	-172.7	177.2	0	0	0	0	107.7	T583 K650 M692 T701 L702	T583-V694 HydrophobicContact CG2-CG2 4.39Å; T583-V694 WeakPolarHBondContact OG1-CG2 3.35Å; K650-V694 CarbonylContact C-O 3.41Å; K650-V694 WeakPolarHBondContact CB-O 3.43Å; K650-V694 PolarHBondContact O-N 3.05Å; M692-V694 HydrophobicContact CB-CG2 3.83Å; M692-V694 HydrophobicContact CG-CB 3.97Å; M692-V694 HydrophobicContact CG-CG2 3.76Å; M692-V694 PolarHBondContact O-N 3.24Å; M692-V694 HydrophobicContact SD-CB 3.97Å; M692-V694 HydrophobicContact SD-CG1 4.46Å; M692-V694 HydrophobicContact SD-CG2 3.75Å; V694-T701 HydrophobicContact CG1-CG2 4.09Å; V694-T701 HydrophobicContact CG2-CG2 3.63Å; V694-L702 HydrophobicContact CG1-CB 4.38Å
695	D	91.9	Very high	94.4	Very high	44 Å²	44	25.9 Å²	25.9	24%	0.235	14%	0.143	C	C	.	.			trans	-78.3	128.2	165.9	-164.1	-34.7	0	0	0	108.6	K650 S697 D698	K650-D695 HydrophobicContact CD-CB 3.93Å; K650-D695 WeakPolarHBondContact CD-OD1 3.35Å; K650-D695 VanDerWaalsContact CD-OD2 3.28Å; K650-D695 WeakPolarHBondContact CD-OD2 3.34Å; K650-D695 WeakPolarHBondContact CE-OD2 3.25Å; K650-D695 IonicContact NZ-OD1 3.64Å; K650-D695 PolarHBondContact NZ-OD1 3.08Å; K650-D695 IonicContact NZ-OD2 2.75Å; K650-D695 PolarHBondContact NZ-OD2 3.28Å; D695-S697 PolarHBondContact O-N 3.09Å; D695-S697 WeakPolarHBondContact OD1-CB 3.43Å; D695-S697 PolarHBondContact OD1-N 3.07Å; D695-S697 PolarHBondContact OD1-OG 3.46Å; D695-D698 HydrophobicContact CB-CB 4.02Å; D695-D698 WeakPolarHBondContact O-CB 3.45Å; D695-D698 PolarHBondContact O-N 2.78Å
696	E	88.9	Confident	94.5	Very high	47 Å²	47	25.6 Å²	25.6	22%	0.22	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-17	169.6	51.4	167.6	-125.5	0	0	114.2	V652 K744 M745	V652-E696 HydrophobicContact CG2-CB 4.25Å; E696-K744 VanDerWaalsContact OE1-CD 3.29Å; E696-K744 WeakPolarHBondContact OE1-CD 3.24Å; E696-K744 WeakPolarHBondContact OE1-CE 3.27Å; E696-K744 IonicContact OE1-NZ 2.88Å; E696-K744 PolarHBondContact OE1-NZ 3.15Å; E696-M745 HydrophobicContact CB-CE 3.96Å
697	S	88.2	Confident	94.4	Very high	60 Å²	60	27 Å²	27	42%	0.42	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.4	179.9	-21.3	0	0	0	0	113.5	D695 K744 E748	D695-S697 PolarHBondContact O-N 3.09Å; D695-S697 WeakPolarHBondContact OD1-CB 3.43Å; D695-S697 PolarHBondContact OD1-N 3.07Å; D695-S697 PolarHBondContact OD1-OG 3.46Å; S697-K744 PolarHBondContact OG-NZ 3.2Å; S697-E748 WeakPolarHBondContact CA-OE1 3.37Å
698	D	91.4	Very high	94.3	Very high	57 Å²	57	28.1 Å²	28.1	31%	0.305	16%	0.164	S	C	.	.			trans	-97.5	86.8	171.6	171.4	4.9	0	0	0	108.1	D695 E700 T701 L702	D695-D698 HydrophobicContact CB-CB 4.02Å; D695-D698 WeakPolarHBondContact O-CB 3.45Å; D695-D698 PolarHBondContact O-N 2.78Å; D698-E700 VanDerWaalsContact C-N 3.25Å; D698-E700 PolarHBondContact O-N 3.02Å; D698-E700 PolarHBondContact OD1-N 3.18Å; D698-T701 PolarHBondContact OD1-N 3.08Å; D698-T701 PolarHBondContact OD1-OG1 3.22Å; D698-T701 WeakPolarHBondContact OD2-CB 3.31Å; D698-T701 PolarHBondContact OD2-OG1 3.15Å; D698-L702 WeakPolarHBondContact O-CB 3.44Å; D698-L702 PolarHBondContact O-N 3.15Å
699	H	91.9	Very high	94.2	Very high	68 Å²	68	28.3 Å²	28.3	32%	0.315	16%	0.164	S	C	.	.	H	α-helix	trans	-64.5	-29.5	-175.8	-163.6	92.4	0	0	0	112.5	T703 E748 F818	H699-T703 WeakPolarHBondContact NE2-CG2 3.47Å; H699-T703 WeakPolarHBondContact O-CB 3.25Å; H699-T703 VanDerWaalsContact O-CG2 3.27Å; H699-T703 WeakPolarHBondContact O-CG2 3.47Å; H699-T703 PolarHBondContact O-N 2.79Å; H699-T703 PolarHBondContact O-OG1 2.95Å; H699-E748 PolarHBondContact CE1-O 3.14Å; H699-F818 AromaticContact CE1-CD1 3.94Å; H699-F818 AromaticContact CE1-CE1 3.96Å
700	E	92.1	Very high	94.1	Very high	143 Å²	143	29 Å²	29	67%	0.668	17%	0.168	S	C	*	.	H	α-helix	trans	-68.8	-54.1	-178.9	-63.3	179.5	-170.8	0	0	110.5	D698 L702 T703 A704	D698-E700 VanDerWaalsContact C-N 3.25Å; D698-E700 PolarHBondContact O-N 3.02Å; D698-E700 PolarHBondContact OD1-N 3.18Å; E700-L702 PolarHBondContact O-N 3.46Å; E700-T703 PolarHBondContact O-OG1 2.79Å; E700-A704 VanDerWaalsContact O-CB 3.3Å; E700-A704 WeakPolarHBondContact O-CB 3.26Å; E700-A704 PolarHBondContact O-N 3.37Å; E700-A704 VanDerWaalsContact O-N 3.07Å
701	T	92.5	Very high	94	Very high	22 Å²	22	31.5 Å²	31.5	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-36.4	177.6	-51.5	0	0	0	0	111.6	T583 V694 D698 V705	T583-T701 HydrophobicContact CG2-CG2 3.57Å; V694-T701 HydrophobicContact CG1-CG2 4.09Å; V694-T701 HydrophobicContact CG2-CG2 3.63Å; D698-T701 PolarHBondContact OD1-N 3.08Å; D698-T701 PolarHBondContact OD1-OG1 3.22Å; D698-T701 WeakPolarHBondContact OD2-CB 3.31Å; D698-T701 PolarHBondContact OD2-OG1 3.15Å; T701-V705 HydrophobicContact CG2-CG2 4.36Å; T701-V705 VanDerWaalsContact O-CG2 3.27Å; T701-V705 WeakPolarHBondContact O-CG2 3.43Å; T701-V705 PolarHBondContact O-N 2.8Å; T701-V705 VanDerWaalsContact O-N 3.12Å
702	L	93.3	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-48	179.2	-176.1	63.8	0	0	0	112	V652 M692 V694 D698 E700 V705 L706 M745	V652-L702 HydrophobicContact CG1-CD1 4.05Å; M692-L702 HydrophobicContact SD-CD1 4Å; V694-L702 HydrophobicContact CG1-CB 4.38Å; D698-L702 WeakPolarHBondContact O-CB 3.44Å; D698-L702 PolarHBondContact O-N 3.15Å; E700-L702 PolarHBondContact O-N 3.46Å; L702-V705 PolarHBondContact O-N 3.04Å; L702-L706 HydrophobicContact CD1-CD1 3.65Å; L702-L706 HydrophobicContact CD1-CG 4.13Å; L702-L706 HydrophobicContact CG-CD1 4.02Å; L702-L706 WeakPolarHBondContact O-CB 3.47Å; L702-L706 WeakPolarHBondContact O-CG 3.45Å; L702-L706 PolarHBondContact O-N 2.87Å; L702-M745 HydrophobicContact CD2-SD 4.34Å
703	T	94	Very high	94	Very high	38 Å²	38	32.2 Å²	32.2	23%	0.233	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-39.5	177.9	52.8	0	0	0	0	112.1	H699 E700 V705 L706 G707 F818	H699-T703 WeakPolarHBondContact NE2-CG2 3.47Å; H699-T703 WeakPolarHBondContact O-CB 3.25Å; H699-T703 VanDerWaalsContact O-CG2 3.27Å; H699-T703 WeakPolarHBondContact O-CG2 3.47Å; H699-T703 PolarHBondContact O-N 2.79Å; H699-T703 PolarHBondContact O-OG1 2.95Å; E700-T703 PolarHBondContact O-OG1 2.79Å; T703-V705 VanDerWaalsContact C-N 3.3Å; T703-V705 PolarHBondContact O-N 2.93Å; T703-L706 PolarHBondContact O-N 2.68Å; T703-G707 WeakPolarHBondContact O-CA 3.39Å; T703-G707 PolarHBondContact O-N 3.36Å; T703-F818 HydrophobicContact CG2-CD1 3.65Å; T703-F818 HydrophobicContact CG2-CD2 4.03Å; T703-F818 HydrophobicContact CG2-CE1 3.63Å; T703-F818 HydrophobicContact CG2-CE2 4.04Å; T703-F818 HydrophobicContact CG2-CG 3.84Å; T703-F818 HydrophobicContact CG2-CZ 3.84Å
704	A	93.2	Very high	94	Very high	42 Å²	42	35.4 Å²	35.4	35%	0.347	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-35	177.2	0	0	0	0	0	113	W572 E700	W572-A704 HydrophobicContact CE3-CB 4.08Å; W572-A704 HydrophobicContact CH2-CB 3.93Å; W572-A704 HydrophobicContact CZ3-CB 3.39Å; E700-A704 VanDerWaalsContact O-CB 3.3Å; E700-A704 WeakPolarHBondContact O-CB 3.26Å; E700-A704 PolarHBondContact O-N 3.37Å; E700-A704 VanDerWaalsContact O-N 3.07Å
705	V	94.4	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-84.6	-34.8	179	177.9	0	0	0	0	112.6	T583 T585 M692 T701 L702 T703	T583-V705 HydrophobicContact CG2-CG2 4.49Å; T585-V705 HydrophobicContact CG2-CG1 4.03Å; T585-V705 HydrophobicContact CG2-CG2 3.94Å; M692-V705 HydrophobicContact CB-CG1 4.4Å; M692-V705 HydrophobicContact CE-CB 4.16Å; M692-V705 HydrophobicContact CE-CG1 3.49Å; M692-V705 VanDerWaalsContact CE-CG1 3.49Å; M692-V705 HydrophobicContact SD-CB 4.17Å; M692-V705 HydrophobicContact SD-CG1 3.9Å; T701-V705 HydrophobicContact CG2-CG2 4.36Å; T701-V705 VanDerWaalsContact O-CG2 3.27Å; T701-V705 WeakPolarHBondContact O-CG2 3.43Å; T701-V705 PolarHBondContact O-N 2.8Å; T701-V705 VanDerWaalsContact O-N 3.12Å; L702-V705 PolarHBondContact O-N 3.04Å; T703-V705 VanDerWaalsContact C-N 3.3Å; T703-V705 PolarHBondContact O-N 2.93Å
706	L	96.1	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-84.8	-28.1	179.1	-68.7	-177.4	0	0	0	113.9	F654 M692 L702 T703 I709 V710 F818	F654-L706 HydrophobicContact CB-CD2 4.2Å; F654-L706 HydrophobicContact CD2-CD2 3.91Å; F654-L706 HydrophobicContact CG-CD2 4.35Å; M692-L706 HydrophobicContact CE-CD2 3.62Å; M692-L706 HydrophobicContact CE-CG 4.02Å; L702-L706 HydrophobicContact CD1-CD1 3.65Å; L702-L706 HydrophobicContact CD1-CG 4.13Å; L702-L706 HydrophobicContact CG-CD1 4.02Å; L702-L706 WeakPolarHBondContact O-CB 3.47Å; L702-L706 WeakPolarHBondContact O-CG 3.45Å; L702-L706 PolarHBondContact O-N 2.87Å; T703-L706 PolarHBondContact O-N 2.68Å; L706-I709 HydrophobicContact CD2-CD1 4.09Å; L706-I709 WeakPolarHBondContact O-CA 3.49Å; L706-I709 VanDerWaalsContact O-CB 3.3Å; L706-I709 WeakPolarHBondContact O-CB 3.22Å; L706-I709 PolarHBondContact O-N 3.48Å; L706-V710 WeakPolarHBondContact O-CG2 3.24Å; L706-V710 PolarHBondContact O-N 3.38Å; L706-F818 HydrophobicContact CB-CE2 4.17Å; L706-F818 HydrophobicContact CD1-CE2 4.48Å; L706-F818 HydrophobicContact CD1-CZ 4.34Å
707	G	96	Very high	94.6	Very high	30 Å²	30	35.5 Å²	35.5	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-48.5	-46.2	-177.2	0	0	0	0	0	114.7	T703 I709 V710 A711	T703-G707 WeakPolarHBondContact O-CA 3.39Å; T703-G707 PolarHBondContact O-N 3.36Å; G707-I709 VanDerWaalsContact C-N 3.29Å; G707-I709 PolarHBondContact O-N 2.99Å; G707-V710 PolarHBondContact O-N 3.16Å; G707-A711 PolarHBondContact O-N 3.19Å
708	P	96.4	Very high	94.9	Very high	34 Å²	34	39.2 Å²	39.2	22%	0.221	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-34.2	173.5	-26.7	36.4	0	0	0	114.2	E712	P708-E712 WeakPolarHBondContact O-CB 3.46Å; P708-E712 VanDerWaalsContact O-CG 3.25Å; P708-E712 WeakPolarHBondContact O-CG 3.49Å; P708-E712 PolarHBondContact O-N 3.43Å
709	I	96.8	Very high	95.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-71.2	-38.6	176.7	-56.2	178.5	0	0	0	110.2	Y590 F654 L689 C690 L706 G707 E712 R713	Y590-I709 HydrophobicContact CD1-CG2 3.68Å; Y590-I709 HydrophobicContact CE1-CG2 4.04Å; Y590-I709 HydrophobicContact CG-CG2 4.49Å; F654-I709 HydrophobicContact CE1-CG2 4.25Å; F654-I709 HydrophobicContact CZ-CG2 4.41Å; L689-I709 HydrophobicContact CD2-CD1 4.33Å; L689-I709 HydrophobicContact CD2-CG2 3.68Å; C690-I709 HydrophobicContact CB-CD1 3.67Å; L706-I709 HydrophobicContact CD2-CD1 4.09Å; L706-I709 WeakPolarHBondContact O-CA 3.49Å; L706-I709 VanDerWaalsContact O-CB 3.3Å; L706-I709 WeakPolarHBondContact O-CB 3.22Å; L706-I709 PolarHBondContact O-N 3.48Å; G707-I709 VanDerWaalsContact C-N 3.29Å; G707-I709 PolarHBondContact O-N 2.99Å; I709-E712 PolarHBondContact O-N 2.91Å; I709-R713 WeakPolarHBondContact O-CB 3.12Å; I709-R713 PolarHBondContact O-N 3.44Å
710	V	96.4	Very high	95.3	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-40.5	174.6	-167.2	0	0	0	0	111.2	L706 G707 R713 N714 F818 L819	L706-V710 WeakPolarHBondContact O-CG2 3.24Å; L706-V710 PolarHBondContact O-N 3.38Å; G707-V710 PolarHBondContact O-N 3.16Å; V710-R713 PolarHBondContact O-N 2.84Å; V710-N714 WeakPolarHBondContact O-CB 3.49Å; V710-N714 VanDerWaalsContact O-CG 3.22Å; V710-N714 PolarHBondContact O-N 2.67Å; V710-N714 PolarHBondContact O-OD1 3.44Å; V710-F818 HydrophobicContact CG2-CD2 4.38Å; V710-F818 HydrophobicContact CG2-CE2 4.43Å; V710-L819 HydrophobicContact CG1-CD1 4.26Å; V710-L819 HydrophobicContact CG2-CB 4.4Å; V710-L819 HydrophobicContact CG2-CD1 4.02Å
711	A	96.3	Very high	95.5	Very high	54 Å²	54	31.5 Å²	31.5	45%	0.446	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-46.5	175.1	0	0	0	0	0	111.9	G707 N714 A715	G707-A711 PolarHBondContact O-N 3.19Å; A711-N714 PolarHBondContact O-N 2.61Å; A711-A715 WeakPolarHBondContact O-CB 3.19Å; A711-A715 PolarHBondContact O-N 3.12Å
712	E	97.3	Very high	95.7	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-50.2	173.6	-75.4	162.8	-152	0	0	111.3	V557 R587 R589 Y590 P708 I709 N714 A715 M716	V557-E712 HydrophobicContact CG2-CG 3.9Å; R587-E712 IonicContact CZ-OE1 3.37Å; R587-E712 IonicContact CZ-OE2 3.34Å; R587-E712 IonicContact NH1-OE1 2.67Å; R587-E712 PolarHBondContact NH1-OE1 3.08Å; R587-E712 IonicContact NH1-OE2 2.66Å; R587-E712 PolarHBondContact NH1-OE2 3.14Å; R587-E712 IonicContact NH2-OE1 3.6Å; R587-E712 PolarHBondContact NH2-OE1 3.27Å; R589-E712 HydrophobicContact CG-CG 4.41Å; R589-E712 WeakPolarHBondContact CG-OE1 3.12Å; R589-E712 WeakPolarHBondContact CG-OE2 3.36Å; Y590-E712 PolarHBondContact N-OE2 2.81Å; P708-E712 WeakPolarHBondContact O-CB 3.46Å; P708-E712 VanDerWaalsContact O-CG 3.25Å; P708-E712 WeakPolarHBondContact O-CG 3.49Å; P708-E712 PolarHBondContact O-N 3.43Å; I709-E712 PolarHBondContact O-N 2.91Å; E712-N714 PolarHBondContact O-N 2.89Å; E712-A715 PolarHBondContact O-N 2.93Å; E712-M716 VanDerWaalsContact O-CG 3.32Å; E712-M716 WeakPolarHBondContact O-CG 3.47Å; E712-M716 PolarHBondContact O-N 2.91Å; E712-M716 VanDerWaalsContact O-N 3.08Å
713	R	96.5	Very high	95.8	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-54.3	-50.4	176.8	176.2	-167.4	178.9	-84.9	4.3	112.4	Y590 E629 I709 V710 M716 K717 F736 E820	Y590-R713 HydrophobicContact CD1-CB 4.17Å; Y590-R713 HydrophobicContact CE1-CB 4.14Å; Y590-R713 HydrophobicContact CE1-CG 4.47Å; E629-R713 IonicContact OE1-NE 3.83Å; E629-R713 IonicContact OE2-CZ 2.75Å; E629-R713 IonicContact OE2-NE 3.83Å; E629-R713 PolarHBondContact OE2-NE 2.98Å; E629-R713 IonicContact OE2-NH2 3.58Å; E629-R713 PolarHBondContact OE2-NH2 3.33Å; I709-R713 WeakPolarHBondContact O-CB 3.12Å; I709-R713 PolarHBondContact O-N 3.44Å; V710-R713 PolarHBondContact O-N 2.84Å; R713-M716 PolarHBondContact O-N 3.08Å; R713-K717 PolarHBondContact O-N 3.4Å; R713-F736 HydrophobicContact CG-CB 4.39Å; R713-F736 HydrophobicContact CG-CD1 4.23Å; R713-F736 HydrophobicContact CG-CD2 4.1Å; R713-F736 HydrophobicContact CG-CE2 4.48Å; R713-F736 HydrophobicContact CG-CG 3.98Å; R713-E820 IonicContact CZ-OE1 2.88Å; R713-E820 IonicContact CZ-OE2 2.65Å; R713-E820 IonicContact NH1-OE1 3.38Å; R713-E820 IonicContact NH1-OE2 3.54Å; R713-E820 PolarHBondContact NH1-OE2 3.35Å; R713-E820 IonicContact NH2-OE1 3.47Å; R713-E820 PolarHBondContact NH2-OE1 2.96Å; R713-E820 IonicContact NH2-OE2 2.76Å; R713-E820 PolarHBondContact NH2-OE2 3.09Å
714	N	95.6	Very high	95.8	Very high	70 Å²	70	32.7 Å²	32.7	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-73.9	-30	-174.6	-67.3	3.1	0	0	0	111.7	V710 A711 E712	V710-N714 WeakPolarHBondContact O-CB 3.49Å; V710-N714 VanDerWaalsContact O-CG 3.22Å; V710-N714 PolarHBondContact O-N 2.67Å; V710-N714 PolarHBondContact O-OD1 3.44Å; A711-N714 PolarHBondContact O-N 2.61Å; E712-N714 PolarHBondContact O-N 2.89Å
715	A	96.7	Very high	95.7	Very high	14 Å²	14	30.7 Å²	30.7	12%	0.116	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-37.6	169.7	0	0	0	0	0	112.3	L554 V557 A711 E712 K717 E718	L554-A715 HydrophobicContact CB-CB 4.38Å; L554-A715 HydrophobicContact CD2-CB 4.31Å; L554-A715 WeakPolarHBondContact CD2-O 3.23Å; V557-A715 HydrophobicContact CG2-CB 4.5Å; A711-A715 WeakPolarHBondContact O-CB 3.19Å; A711-A715 PolarHBondContact O-N 3.12Å; E712-A715 PolarHBondContact O-N 2.93Å; A715-K717 PolarHBondContact O-N 3.31Å; A715-E718 PolarHBondContact O-N 3.09Å
716	M	97.4	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-22.8	-179.9	-71.4	-175.3	-64.4	0	0	114.4	W550 L554 Y590 D591 L594 E712 R713 E718 F736	W550-M716 HydrophobicContact CH2-CB 3.76Å; W550-M716 HydrophobicContact CH2-CG 3.48Å; W550-M716 VanDerWaalsContact CH2-CG 3.48Å; W550-M716 HydrophobicContact CH2-SD 3.69Å; W550-M716 HydrophobicContact CZ2-CB 4.46Å; W550-M716 HydrophobicContact CZ2-CG 3.69Å; W550-M716 HydrophobicContact CZ2-SD 3.56Å; W550-M716 VanDerWaalsContact CZ2-SD 3.56Å; W550-M716 HydrophobicContact CZ3-CB 4.07Å; W550-M716 HydrophobicContact CZ3-CG 4.06Å; L554-M716 HydrophobicContact CD1-CG 3.78Å; L554-M716 HydrophobicContact CD2-CG 3.99Å; Y590-M716 HydrophobicContact CD1-CE 3.81Å; Y590-M716 HydrophobicContact CD2-CE 4.33Å; Y590-M716 HydrophobicContact CG-CE 3.69Å; D591-M716 VanDerWaalsContact CA-SD 3.58Å; D591-M716 HydrophobicContact CB-SD 3.67Å; L594-M716 HydrophobicContact CD1-CE 3.7Å; L594-M716 HydrophobicContact CD1-SD 3.65Å; E712-M716 VanDerWaalsContact O-CG 3.32Å; E712-M716 WeakPolarHBondContact O-CG 3.47Å; E712-M716 PolarHBondContact O-N 2.91Å; E712-M716 VanDerWaalsContact O-N 3.08Å; R713-M716 PolarHBondContact O-N 3.08Å; M716-E718 VanDerWaalsContact C-N 3.28Å; M716-E718 PolarHBondContact O-N 3.28Å; M716-F736 HydrophobicContact CB-CE2 4.12Å; M716-F736 HydrophobicContact CB-CZ 4.26Å; M716-F736 HydrophobicContact CE-CE1 4.34Å; M716-F736 HydrophobicContact CE-CZ 3.74Å
717	K	95.1	Very high	94.8	Very high	79 Å²	79	35.8 Å²	35.8	34%	0.343	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-35.5	174.3	-77.5	-173.7	164.8	-166	0	112.7	R713 A715 S719 F736 E820	R713-K717 PolarHBondContact O-N 3.4Å; A715-K717 PolarHBondContact O-N 3.31Å; K717-S719 VanDerWaalsContact C-N 3.32Å; K717-S719 PolarHBondContact O-N 3.02Å; K717-F736 HydrophobicContact CG-CD2 4Å; K717-F736 HydrophobicContact CG-CE2 4.43Å; K717-E820 IonicContact NZ-OE1 3.44Å; K717-E820 PolarHBondContact NZ-OE1 2.93Å; K717-E820 IonicContact NZ-OE2 3.55Å; K717-E820 PolarHBondContact NZ-OE2 3.06Å
718	E	93.4	Very high	94.5	Very high	138 Å²	138	37 Å²	37	65%	0.645	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	10.1	-173.4	-57.9	-57.8	128.1	0	0	113.8	A715 M716	A715-E718 PolarHBondContact O-N 3.09Å; M716-E718 VanDerWaalsContact C-N 3.28Å; M716-E718 PolarHBondContact O-N 3.28Å
719	S	95.9	Very high	94.3	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	24%	0.24	C	C	.	.	S	Bend	trans	-142.3	161	-170.5	-173	0	0	0	0	112.8	Q551 P552 K717	Q551-S719 PolarHBondContact N-OG 3.01Å; Q551-S719 PolarHBondContact O-OG 2.91Å; P552-S719 PolarHBondContact O-OG 2.86Å; K717-S719 VanDerWaalsContact C-N 3.32Å; K717-S719 PolarHBondContact O-N 3.02Å
720	R	95.7	Very high	94.1	Very high	97 Å²	97	39.6 Å²	39.6	37%	0.366	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.3	168.1	54.8	165.7	-174.7	-141.4	2	110.6	W550 Q551 I722 S731 F732 R733	W550-R720 WeakPolarHBondContact CA-O 3.45Å; Q551-R720 HydrophobicContact CB-CG 4.1Å; Q551-R720 PolarHBondContact N-O 3.43Å; Q551-R720 WeakPolarHBondContact O-CG 3.15Å; Q551-R720 PolarHBondContact O-N 2.86Å; Q551-R720 VanDerWaalsContact O-N 3.09Å; R720-I722 HydrophobicContact CG-CD1 4.42Å; R720-S731 WeakPolarHBondContact CD-OG 3.28Å; R720-F732 CarbonylContact C-O 3.59Å; R720-F732 VanDerWaalsContact CA-O 3.3Å; R720-F732 WeakPolarHBondContact CA-O 3.13Å; R720-R733 HydrophobicContact CB-CG 4.39Å
721	L	97.5	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.7	169.9	171.5	74	0	0	0	109	F548 W550 V595 L598 L723 S731 F732 F734	F548-L721 HydrophobicContact CB-CD1 3.92Å; F548-L721 HydrophobicContact CD2-CD1 3.64Å; F548-L721 HydrophobicContact CG-CD1 4.08Å; W550-L721 HydrophobicContact CD2-CB 4.16Å; W550-L721 HydrophobicContact CD2-CD1 4.2Å; W550-L721 HydrophobicContact CE3-CB 4Å; W550-L721 HydrophobicContact CH2-CB 3.95Å; W550-L721 HydrophobicContact CZ2-CB 4.06Å; W550-L721 HydrophobicContact CZ2-CD1 4.04Å; W550-L721 HydrophobicContact CZ3-CB 3.91Å; V595-L721 HydrophobicContact CG2-CD1 3.66Å; V595-L721 HydrophobicContact CG2-CD2 3.79Å; V595-L721 HydrophobicContact CG2-CG 4.37Å; L598-L721 HydrophobicContact CD1-CD2 4.03Å; L721-L723 HydrophobicContact CD2-CB 4.37Å; L721-L723 HydrophobicContact CD2-CD2 4.44Å; L721-L723 HydrophobicContact CG-CB 4.33Å; L721-S731 CarbonylContact O-C 3.43Å; L721-S731 WeakPolarHBondContact O-CA 3.36Å; L721-F732 HydrophobicContact CB-CB 4.36Å; L721-F732 HydrophobicContact CD2-CD2 4.46Å; L721-F732 PolarHBondContact N-O 3.35Å; L721-F732 PolarHBondContact O-N 3.02Å; L721-F734 HydrophobicContact CB-CE2 3.79Å; L721-F734 HydrophobicContact CD2-CE2 3.79Å; L721-F734 HydrophobicContact CD2-CZ 3.7Å; L721-F734 HydrophobicContact CG-CE2 4.44Å
722	I	96.4	Very high	94	Very high	26 Å²	26	36.8 Å²	36.8	13%	0.133	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.2	165.8	-44.9	-59.3	0	0	0	108.5	E549 Q551 R720 P729 R730	E549-I722 HydrophobicContact CG-CB 3.71Å; E549-I722 HydrophobicContact CG-CG1 4.07Å; E549-I722 PolarHBondContact N-O 3.06Å; E549-I722 VanDerWaalsContact N-O 3.16Å; E549-I722 PolarHBondContact O-N 3.44Å; Q551-I722 HydrophobicContact CG-CG1 4.03Å; R720-I722 HydrophobicContact CG-CD1 4.42Å; I722-P729 HydrophobicContact CG2-CB 3.9Å; I722-R730 WeakPolarHBondContact CA-O 3.44Å
723	L	95.7	Very high	94	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	132.3	-176.3	175.4	61.5	0	0	0	109.6	F548 V595 L598 K599 L721 M725 R730 F732	F548-L723 HydrophobicContact CB-CD1 4.31Å; V595-L723 HydrophobicContact CG1-CD1 3.87Å; V595-L723 HydrophobicContact CG1-CD2 4.33Å; L598-L723 HydrophobicContact CB-CD2 4.07Å; L598-L723 HydrophobicContact CD1-CD2 4.43Å; K599-L723 HydrophobicContact CG-CD1 4.3Å; K599-L723 HydrophobicContact CG-CD2 4.3Å; L721-L723 HydrophobicContact CD2-CB 4.37Å; L721-L723 HydrophobicContact CD2-CD2 4.44Å; L721-L723 HydrophobicContact CG-CB 4.33Å; L723-M725 HydrophobicContact CD2-CG 4.13Å; L723-M725 HydrophobicContact CD2-SD 3.93Å; L723-M725 HydrophobicContact CG-CG 3.98Å; L723-M725 HydrophobicContact CG-SD 4.43Å; L723-M725 PolarHBondContact O-N 3.32Å; L723-R730 PolarHBondContact N-O 3.06Å; L723-R730 PolarHBondContact O-N 3.26Å; L723-F732 HydrophobicContact CB-CD2 4.33Å; L723-F732 HydrophobicContact CB-CE2 4.07Å
724	S	93.2	Very high	94	Very high	56 Å²	56	43.5 Å²	43.5	39%	0.392	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.8	172.9	-177.2	0	0	0	0	110.3	K599 M728	K599-S724 WeakPolarHBondContact CE-O 3.43Å; K599-S724 PolarHBondContact NZ-O 3.11Å; S724-M728 CarbonylContact C-O 3.51Å; S724-M728 VanDerWaalsContact CA-O 3.3Å; S724-M728 WeakPolarHBondContact CA-O 3.49Å
725	M	90.4	Very high	94.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.4	174	-60.7	-166.4	-4.9	0	0	111.7	L598 K599 E602 I605 L723 G727 M728 R730 F732	L598-M725 HydrophobicContact CB-SD 4.46Å; K599-M725 HydrophobicContact CD-CG 4.44Å; E602-M725 HydrophobicContact CG-CB 4.36Å; E602-M725 WeakPolarHBondContact OE1-CA 3.38Å; I605-M725 HydrophobicContact CB-CE 4.19Å; I605-M725 HydrophobicContact CD1-CE 3.74Å; I605-M725 HydrophobicContact CG2-CE 3.85Å; L723-M725 HydrophobicContact CD2-CG 4.13Å; L723-M725 HydrophobicContact CD2-SD 3.93Å; L723-M725 HydrophobicContact CG-CG 3.98Å; L723-M725 HydrophobicContact CG-SD 4.43Å; L723-M725 PolarHBondContact O-N 3.32Å; M725-G727 VanDerWaalsContact C-N 3.33Å; M725-M728 PolarHBondContact N-O 3.49Å; M725-R730 PolarHBondContact O-NE 3.41Å; M725-F732 HydrophobicContact CE-CE1 4.07Å; M725-F732 HydrophobicContact CE-CZ 3.58Å; M725-F732 HydrophobicContact CG-CZ 4.4Å; M725-F732 HydrophobicContact SD-CE1 4.36Å; M725-F732 HydrophobicContact SD-CE2 4.12Å; M725-F732 HydrophobicContact SD-CZ 3.61Å
726	G	85.8	Confident	94.1	Very high	38 Å²	38	43.7 Å²	43.7	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	34.6	-171	0	0	0	0	0	112.8	E602 M728	E602-G726 PolarHBondContact OE1-N 3.13Å; G726-M728 VanDerWaalsContact C-N 3.28Å; G726-M728 PolarHBondContact O-N 2.93Å
727	G	87.3	Confident	94	Very high	71 Å²	71	46.5 Å²	46.5	73%	0.732	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-1.8	-178.2	0	0	0	0	0	115.8	M725	M725-G727 VanDerWaalsContact C-N 3.33Å
728	M	89.3	Confident	94.1	Very high	56 Å²	56	42.8 Å²	42.8	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.1	-177	-60.3	-166.4	-52.2	0	0	112.9	D616 T620 S724 M725 G726 R730	D616-M728 WeakPolarHBondContact O-CE 3.2Å; T620-M728 HydrophobicContact CG2-CE 4.03Å; S724-M728 CarbonylContact C-O 3.51Å; S724-M728 VanDerWaalsContact CA-O 3.3Å; S724-M728 WeakPolarHBondContact CA-O 3.49Å; M725-M728 PolarHBondContact N-O 3.49Å; G726-M728 VanDerWaalsContact C-N 3.28Å; G726-M728 PolarHBondContact O-N 2.93Å; M728-R730 PolarHBondContact O-N 2.98Å
729	P	92.3	Very high	94.2	Very high	88 Å²	88	36.5 Å²	36.5	57%	0.571	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.4	171	28.7	-34	0	0	0	111	I722	I722-P729 HydrophobicContact CG2-CB 3.9Å
730	R	92.4	Very high	94.2	Very high	2 Å²	2	36 Å²	36	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.5	175.5	-55	-168.3	-165.4	-121	12.3	111	M606 D616 C619 T620 F623 I722 L723 M725 M728 F732	M606-R730 PolarHBondContact SD-NH2 3.48Å; D616-R730 PolarHBondContact O-NH1 3.19Å; D616-R730 IonicContact OD1-CZ 2.69Å; D616-R730 IonicContact OD1-NH1 3.47Å; D616-R730 IonicContact OD1-NH2 3.66Å; D616-R730 PolarHBondContact OD1-NH2 3.39Å; C619-R730 PolarHBondContact O-NH1 2.89Å; T620-R730 CarbonylContact O-C 3.58Å; T620-R730 VanDerWaalsContact O-CA 3.29Å; T620-R730 WeakPolarHBondContact O-CA 3.37Å; F623-R730 HydrophobicContact CD2-CB 4.24Å; F623-R730 HydrophobicContact CE2-CB 3.85Å; F623-R730 HydrophobicContact CE2-CG 4.21Å; I722-R730 WeakPolarHBondContact CA-O 3.44Å; L723-R730 PolarHBondContact N-O 3.06Å; L723-R730 PolarHBondContact O-N 3.26Å; M725-R730 PolarHBondContact O-NE 3.41Å; M728-R730 PolarHBondContact O-N 2.98Å; R730-F732 HydrophobicContact CB-CE2 3.76Å; R730-F732 HydrophobicContact CB-CZ 3.81Å; R730-F732 WeakPolarHBondContact O-CD2 3.48Å; R730-F732 WeakPolarHBondContact O-CE2 3.3Å
731	S	94.4	Very high	94.1	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.063	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	-171.8	160	0	0	0	0	112.9	T620 F623 R720 L721	T620-S731 PolarHBondContact O-N 2.83Å; F623-S731 WeakPolarHBondContact CB-O 3.34Å; F623-S731 PolarHBondContact N-O 2.78Å; R720-S731 WeakPolarHBondContact CD-OG 3.28Å; L721-S731 CarbonylContact O-C 3.43Å; L721-S731 WeakPolarHBondContact O-CA 3.36Å
732	F	96.1	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.3	-176.4	-55.1	-91.1	0	0	0	113.1	L598 F623 V625 R720 L721 L723 M725 R730 F734	L598-F732 HydrophobicContact CD1-CD1 4.2Å; L598-F732 HydrophobicContact CD1-CD2 4.5Å; L598-F732 HydrophobicContact CD1-CG 4.15Å; F623-F732 HydrophobicContact CB-CD1 3.37Å; F623-F732 HydrophobicContact CB-CE1 3.65Å; F623-F732 HydrophobicContact CB-CG 4.13Å; F623-F732 HydrophobicContact CD1-CD1 4.38Å; F623-F732 AromaticContact CD1-CE1 3.82Å; F623-F732 HydrophobicContact CD1-CE1 3.82Å; F623-F732 HydrophobicContact CD2-CD1 4.42Å; F623-F732 AromaticContact CD2-CE1 3.99Å; F623-F732 HydrophobicContact CD2-CE1 3.99Å; F623-F732 HydrophobicContact CD2-CZ 4.25Å; F623-F732 HydrophobicContact CE1-CE1 4.44Å; F623-F732 AromaticContact CG-CD1 3.85Å; F623-F732 HydrophobicContact CG-CD1 3.85Å; F623-F732 AromaticContact CG-CE1 3.56Å; F623-F732 HydrophobicContact CG-CE1 3.56Å; F623-F732 HydrophobicContact CG-CZ 4.26Å; V625-F732 HydrophobicContact CG2-CB 4.24Å; V625-F732 HydrophobicContact CG2-CD1 3.91Å; R720-F732 CarbonylContact C-O 3.59Å; R720-F732 VanDerWaalsContact CA-O 3.3Å; R720-F732 WeakPolarHBondContact CA-O 3.13Å; L721-F732 HydrophobicContact CB-CB 4.36Å; L721-F732 HydrophobicContact CD2-CD2 4.46Å; L721-F732 PolarHBondContact N-O 3.35Å; L721-F732 PolarHBondContact O-N 3.02Å; L723-F732 HydrophobicContact CB-CD2 4.33Å; L723-F732 HydrophobicContact CB-CE2 4.07Å; M725-F732 HydrophobicContact CE-CE1 4.07Å; M725-F732 HydrophobicContact CE-CZ 3.58Å; M725-F732 HydrophobicContact CG-CZ 4.4Å; M725-F732 HydrophobicContact SD-CE1 4.36Å; M725-F732 HydrophobicContact SD-CE2 4.12Å; M725-F732 HydrophobicContact SD-CZ 3.61Å; R730-F732 HydrophobicContact CB-CE2 3.76Å; R730-F732 HydrophobicContact CB-CZ 3.81Å; R730-F732 WeakPolarHBondContact O-CD2 3.48Å; R730-F732 WeakPolarHBondContact O-CE2 3.3Å; F732-F734 HydrophobicContact CB-CE2 4.33Å
733	R	96.5	Very high	93.9	Very high	150 Å²	150	32.4 Å²	32.4	57%	0.566	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.8	166.3	-70.2	-179.1	175.3	166.6	-0.9	110.6	F623 V625 R720	F623-R733 PolarHBondContact O-N 3.45Å; V625-R733 PolarHBondContact N-O 2.9Å; R720-R733 HydrophobicContact CB-CG 4.39Å
734	F	97.1	Very high	93.8	Very high	7 Å²	7	35 Å²	35	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.1	-175.7	-66.2	-89.8	0	0	0	112.6	W550 L594 L598 V625 I627 L721 F732 F736	W550-F734 AromaticContact CH2-CD2 3.59Å; W550-F734 HydrophobicContact CH2-CD2 3.59Å; W550-F734 AromaticContact CH2-CE2 3.5Å; W550-F734 HydrophobicContact CH2-CE2 3.5Å; W550-F734 HydrophobicContact CZ2-CE2 4.22Å; W550-F734 HydrophobicContact CZ3-CD2 4.09Å; W550-F734 HydrophobicContact CZ3-CE2 4.17Å; L594-F734 HydrophobicContact CB-CE1 4.02Å; L594-F734 HydrophobicContact CB-CZ 4.11Å; L594-F734 HydrophobicContact CD1-CD1 4.17Å; L594-F734 HydrophobicContact CD1-CE1 4.15Å; L594-F734 HydrophobicContact CD1-CZ 4.48Å; L594-F734 HydrophobicContact CD2-CD1 4.2Å; L594-F734 HydrophobicContact CD2-CE1 3.98Å; L594-F734 HydrophobicContact CG-CE1 4.28Å; L598-F734 HydrophobicContact CD1-CE1 4.02Å; L598-F734 HydrophobicContact CD1-CZ 3.69Å; V625-F734 HydrophobicContact CB-CD1 3.76Å; V625-F734 HydrophobicContact CB-CE1 3.95Å; V625-F734 HydrophobicContact CG1-CD1 3.9Å; V625-F734 HydrophobicContact CG1-CE1 3.9Å; V625-F734 HydrophobicContact CG2-CD1 4.39Å; V625-F734 HydrophobicContact CG2-CE1 4.18Å; I627-F734 HydrophobicContact CD1-CD1 4.27Å; I627-F734 HydrophobicContact CG1-CD1 3.99Å; L721-F734 HydrophobicContact CB-CE2 3.79Å; L721-F734 HydrophobicContact CD2-CE2 3.79Å; L721-F734 HydrophobicContact CD2-CZ 3.7Å; L721-F734 HydrophobicContact CG-CE2 4.44Å; F732-F734 HydrophobicContact CB-CE2 4.33Å; F734-F736 HydrophobicContact CB-CD2 4.32Å; F734-F736 HydrophobicContact CB-CE2 3.58Å; F734-F736 HydrophobicContact CB-CZ 3.73Å; F734-F736 HydrophobicContact CG-CZ 4.3Å
735	H	96.8	Very high	93.9	Very high	78 Å²	78	32.4 Å²	32.4	36%	0.361	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106	173.8	-59.6	102.5	0	0	0	109.3	V625 M626 I627	V625-H735 PolarHBondContact O-N 3.48Å; M626-H735 HydrophobicContact CE-CB 4.06Å; M626-H735 HydrophobicContact SD-CB 3.61Å; I627-H735 PolarHBondContact N-O 3.07Å
736	F	97.4	Very high	94.1	Very high	10 Å²	10	33.5 Å²	33.5	4%	0.044	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.2	-178.7	-61.7	-84.1	0	0	0	110.8	Y590 L594 I627 E629 R713 M716 K717 F734	Y590-F736 HydrophobicContact CE1-CD1 4.43Å; Y590-F736 HydrophobicContact CE1-CE1 4.09Å; Y590-F736 HydrophobicContact CE2-CE1 4.28Å; Y590-F736 AromaticContact CZ-CE1 3.81Å; L594-F736 HydrophobicContact CD1-CE1 3.93Å; L594-F736 HydrophobicContact CD1-CZ 3.78Å; I627-F736 HydrophobicContact CB-CD1 3.98Å; I627-F736 HydrophobicContact CB-CE1 4.33Å; I627-F736 HydrophobicContact CG1-CD1 4.34Å; I627-F736 HydrophobicContact CG1-CE1 4.22Å; I627-F736 HydrophobicContact CG2-CD1 3.98Å; I627-F736 HydrophobicContact CG2-CE1 4.28Å; E629-F736 HydrophobicContact CG-CB 4.47Å; E629-F736 HydrophobicContact CG-CD1 4.29Å; R713-F736 HydrophobicContact CG-CB 4.39Å; R713-F736 HydrophobicContact CG-CD1 4.23Å; R713-F736 HydrophobicContact CG-CD2 4.1Å; R713-F736 HydrophobicContact CG-CE2 4.48Å; R713-F736 HydrophobicContact CG-CG 3.98Å; M716-F736 HydrophobicContact CB-CE2 4.12Å; M716-F736 HydrophobicContact CB-CZ 4.26Å; M716-F736 HydrophobicContact CE-CE1 4.34Å; M716-F736 HydrophobicContact CE-CZ 3.74Å; K717-F736 HydrophobicContact CG-CD2 4Å; K717-F736 HydrophobicContact CG-CE2 4.43Å; F734-F736 HydrophobicContact CB-CD2 4.32Å; F734-F736 HydrophobicContact CB-CE2 3.58Å; F734-F736 HydrophobicContact CB-CZ 3.73Å; F734-F736 HydrophobicContact CG-CZ 4.3Å
737	R	96.3	Very high	94.6	Very high	59 Å²	59	31.9 Å²	31.9	22%	0.223	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	101.5	175.7	-76.4	-173.6	171	-162.4	-1.7	109.8	M626 I627 E629 T739 Q822 D984 W990	M626-R737 HydrophobicContact CE-CG 4.27Å; I627-R737 PolarHBondContact O-N 3.44Å; E629-R737 PolarHBondContact N-O 2.95Å; R737-T739 HydrophobicContact CB-CG2 4.1Å; R737-T739 PolarHBondContact O-N 3.34Å; R737-T739 VanDerWaalsContact O-N 3.1Å; R737-Q822 VanDerWaalsContact CD-OE1 3.3Å; R737-D984 IonicContact CZ-OD1 3.72Å; R737-D984 IonicContact NH1-OD1 2.77Å; R737-D984 IonicContact NH2-OD1 3.65Å; R737-W990 HydrophobicContact CB-CE3 4.19Å; R737-W990 HydrophobicContact CB-CH2 4.41Å; R737-W990 HydrophobicContact CB-CZ3 3.73Å; R737-W990 HydrophobicContact CG-CZ3 4.3Å
738	G	96.1	Very high	94.9	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	85.2	176	0	0	0	0	0	112	Y741 Q822	G738-Y741 VanDerWaalsContact C-CE2 3.4Å; G738-Y741 VanDerWaalsContact CA-CE2 3.48Å; G738-Y741 WeakPolarHBondContact O-CE2 3.21Å; G738-Q822 PolarHBondContact O-N 3.28Å
739	T	96.4	Very high	95	Very high	5 Å²	5	28 Å²	28	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-21.2	-175.3	67.9	0	0	0	0	113.8	K628 E629 R737 Y741 Q822 T824 W990	K628-T739 WeakPolarHBondContact CD-OG1 3.14Å; E629-T739 PolarHBondContact O-N 3.27Å; R737-T739 HydrophobicContact CB-CG2 4.1Å; R737-T739 PolarHBondContact O-N 3.34Å; R737-T739 VanDerWaalsContact O-N 3.1Å; T739-Y741 PolarHBondContact O-N 2.99Å; T739-Q822 HydrophobicContact CG2-CB 4.14Å; T739-T824 HydrophobicContact CG2-CG2 3.83Å; T739-W990 WeakPolarHBondContact CB-O 3.47Å; T739-W990 HydrophobicContact CG2-CB 4.14Å; T739-W990 HydrophobicContact CG2-CD2 4.46Å; T739-W990 HydrophobicContact CG2-CE3 4.03Å; T739-W990 PolarHBondContact OG1-O 2.82Å
740	G	94.3	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	42.1	-171.9	0	0	0	0	0	114.4	E629 C630 C631	E629-G740 WeakPolarHBondContact O-CA 3.35Å; E629-G740 PolarHBondContact O-N 3.02Å; C630-G740 WeakPolarHBondContact CA-O 3.15Å; C631-G740 PolarHBondContact N-O 3.2Å
741	Y	94.9	Very high	95.4	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.024	11%	0.107	C	C	.	.			trans	-118.2	148.5	-177.7	-49.9	-58.3	0	0	0	110.2	C631 G738 T739 M745 V746 M749 T821	C631-Y741 HydrophobicContact CB-CD1 3.75Å; C631-Y741 HydrophobicContact CB-CE1 3.5Å; C631-Y741 VanDerWaalsContact CB-CE1 3.5Å; C631-Y741 VanDerWaalsContact N-CD1 3.29Å; G738-Y741 VanDerWaalsContact C-CE2 3.4Å; G738-Y741 VanDerWaalsContact CA-CE2 3.48Å; G738-Y741 WeakPolarHBondContact O-CE2 3.21Å; T739-Y741 PolarHBondContact O-N 2.99Å; Y741-M745 HydrophobicContact CD1-CG 4.39Å; Y741-V746 HydrophobicContact CD2-CG2 4.38Å; Y741-V746 HydrophobicContact CG-CG2 4.45Å; Y741-M749 HydrophobicContact CD1-CE 3.86Å; Y741-M749 HydrophobicContact CD2-CE 3.91Å; Y741-M749 HydrophobicContact CE1-CE 4.02Å; Y741-M749 HydrophobicContact CE2-CE 4.04Å; Y741-M749 HydrophobicContact CG-CE 3.83Å; Y741-T821 HydrophobicContact CD2-CG2 3.79Å; Y741-T821 HydrophobicContact CE2-CG2 3.77Å
742	D	94.4	Very high	95.5	Very high	32 Å²	32	24.3 Å²	24.3	17%	0.171	11%	0.108	C	C	.	.			trans	-82	166.5	169.9	105.1	-60.3	0	0	0	111.3	K744 M745 V746	D742-K744 VanDerWaalsContact C-N 3.26Å; D742-K744 VanDerWaalsContact CG-N 3.32Å; D742-K744 PolarHBondContact O-N 3.38Å; D742-K744 WeakPolarHBondContact OD1-CB 3.47Å; D742-K744 PolarHBondContact OD1-N 2.68Å; D742-K744 VanDerWaalsContact OD1-N 3.16Å; D742-K744 PolarHBondContact OD2-N 2.95Å; D742-K744 VanDerWaalsContact OD2-N 3.11Å; D742-M745 PolarHBondContact O-N 3.38Å; D742-M745 WeakPolarHBondContact OD1-CB 3.4Å; D742-M745 PolarHBondContact OD1-N 3.48Å; D742-V746 WeakPolarHBondContact O-CG2 3.47Å; D742-V746 PolarHBondContact O-N 3.35Å
743	E	95.4	Very high	95.4	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-28.1	179.9	-179.4	172.2	141.3	0	0	113.7	R747 T762 N968 Y969 K972	E743-R747 HydrophobicContact CG-CG 4.29Å; E743-R747 WeakPolarHBondContact O-CB 3.07Å; E743-R747 WeakPolarHBondContact O-CG 3.3Å; E743-R747 PolarHBondContact O-N 3.11Å; E743-R747 VanDerWaalsContact O-N 3.15Å; E743-R747 IonicContact OE1-CZ 3.17Å; E743-R747 IonicContact OE1-NE 2.8Å; E743-R747 PolarHBondContact OE1-NE 3.41Å; E743-R747 IonicContact OE1-NH2 2.71Å; E743-R747 PolarHBondContact OE1-NH2 2.92Å; E743-T762 HydrophobicContact CG-CG2 4.05Å; E743-N968 PolarHBondContact OE1-ND2 2.96Å; E743-Y969 WeakPolarHBondContact CB-OH 3.33Å; E743-Y969 PolarHBondContact N-OH 3.37Å; E743-K972 WeakPolarHBondContact OE2-CE 3.3Å; E743-K972 IonicContact OE2-NZ 3.41Å; E743-K972 PolarHBondContact OE2-NZ 3.25Å
744	K	93.9	Very high	95.2	Very high	58 Å²	58	22.9 Å²	22.9	25%	0.252	12%	0.121	S	C	.	.	H	α-helix	trans	-64.9	-54.3	174.2	-169.9	-146.1	174.5	-147.9	0	109.8	E696 S697 D742 V746 R747 E748	E696-K744 VanDerWaalsContact OE1-CD 3.29Å; E696-K744 WeakPolarHBondContact OE1-CD 3.24Å; E696-K744 WeakPolarHBondContact OE1-CE 3.27Å; E696-K744 IonicContact OE1-NZ 2.88Å; E696-K744 PolarHBondContact OE1-NZ 3.15Å; S697-K744 PolarHBondContact OG-NZ 3.2Å; D742-K744 VanDerWaalsContact C-N 3.26Å; D742-K744 VanDerWaalsContact CG-N 3.32Å; D742-K744 PolarHBondContact O-N 3.38Å; D742-K744 WeakPolarHBondContact OD1-CB 3.47Å; D742-K744 PolarHBondContact OD1-N 2.68Å; D742-K744 VanDerWaalsContact OD1-N 3.16Å; D742-K744 PolarHBondContact OD2-N 2.95Å; D742-K744 VanDerWaalsContact OD2-N 3.11Å; K744-V746 PolarHBondContact O-N 3.45Å; K744-R747 PolarHBondContact O-N 3.01Å; K744-E748 WeakPolarHBondContact CE-OE2 3.47Å; K744-E748 IonicContact NZ-OE2 3.57Å; K744-E748 PolarHBondContact NZ-OE2 3.26Å; K744-E748 WeakPolarHBondContact O-CB 3.19Å; K744-E748 PolarHBondContact O-N 3.33Å
745	M	93.9	Very high	94.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-43.1	-178.9	-169.1	65.5	67.2	0	0	111.7	E696 L702 Y741 D742 R747 E748 M749	E696-M745 HydrophobicContact CB-CE 3.96Å; L702-M745 HydrophobicContact CD2-SD 4.34Å; Y741-M745 HydrophobicContact CD1-CG 4.39Å; D742-M745 PolarHBondContact O-N 3.38Å; D742-M745 WeakPolarHBondContact OD1-CB 3.4Å; D742-M745 PolarHBondContact OD1-N 3.48Å; M745-R747 PolarHBondContact O-N 2.95Å; M745-E748 PolarHBondContact O-N 2.87Å; M745-M749 HydrophobicContact CG-CE 3.8Å; M745-M749 HydrophobicContact CG-CG 4.4Å; M745-M749 HydrophobicContact CG-SD 3.73Å; M745-M749 WeakPolarHBondContact O-CB 3.39Å; M745-M749 VanDerWaalsContact O-CG 3.23Å; M745-M749 WeakPolarHBondContact O-CG 3.43Å; M745-M749 PolarHBondContact O-N 3.07Å; M745-M749 HydrophobicContact SD-CG 4.25Å; M745-M749 HydrophobicContact SD-SD 3.85Å
746	V	96.1	Very high	94.7	Very high	23 Å²	23	24.2 Å²	24.2	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-48.1	175	173.4	0	0	0	0	111.6	Y741 D742 K744 E748 M749 E750 T762	Y741-V746 HydrophobicContact CD2-CG2 4.38Å; Y741-V746 HydrophobicContact CG-CG2 4.45Å; D742-V746 WeakPolarHBondContact O-CG2 3.47Å; D742-V746 PolarHBondContact O-N 3.35Å; K744-V746 PolarHBondContact O-N 3.45Å; V746-E748 VanDerWaalsContact C-N 3.32Å; V746-E748 PolarHBondContact O-N 3.03Å; V746-M749 PolarHBondContact O-N 2.96Å; V746-E750 HydrophobicContact CG1-CG 4.37Å; V746-E750 WeakPolarHBondContact O-CB 3.49Å; V746-E750 PolarHBondContact O-N 3.35Å; V746-T762 HydrophobicContact CG1-CG2 4.19Å
747	R	95.7	Very high	94.5	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-41.4	-179.9	-75.3	172.9	170.9	-83	-1.6	111.7	E743 K744 M745 G751 L752 E753 Y759 I760 T762	E743-R747 HydrophobicContact CG-CG 4.29Å; E743-R747 WeakPolarHBondContact O-CB 3.07Å; E743-R747 WeakPolarHBondContact O-CG 3.3Å; E743-R747 PolarHBondContact O-N 3.11Å; E743-R747 VanDerWaalsContact O-N 3.15Å; E743-R747 IonicContact OE1-CZ 3.17Å; E743-R747 IonicContact OE1-NE 2.8Å; E743-R747 PolarHBondContact OE1-NE 3.41Å; E743-R747 IonicContact OE1-NH2 2.71Å; E743-R747 PolarHBondContact OE1-NH2 2.92Å; K744-R747 PolarHBondContact O-N 3.01Å; M745-R747 PolarHBondContact O-N 2.95Å; R747-G751 PolarHBondContact O-N 3.3Å; R747-L752 HydrophobicContact CB-CB 4.06Å; R747-L752 HydrophobicContact CG-CB 4.09Å; R747-L752 HydrophobicContact CG-CD1 4.25Å; R747-L752 PolarHBondContact O-N 3.48Å; R747-E753 WeakPolarHBondContact CD-O 3.48Å; R747-E753 PolarHBondContact NH1-O 2.71Å; R747-Y759 PolarHBondContact NH1-O 2.61Å; R747-Y759 PolarHBondContact NH2-O 3.13Å; R747-I760 PolarHBondContact NH2-O 3.38Å; R747-T762 HydrophobicContact CG-CG2 3.71Å
748	E	92.8	Very high	94.5	Very high	44 Å²	44	24.9 Å²	24.9	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-31.1	-178.5	-170.1	152.8	-162.9	0	0	113.3	S697 H699 K744 M745 V746	S697-E748 WeakPolarHBondContact CA-OE1 3.37Å; H699-E748 PolarHBondContact CE1-O 3.14Å; K744-E748 WeakPolarHBondContact CE-OE2 3.47Å; K744-E748 IonicContact NZ-OE2 3.57Å; K744-E748 PolarHBondContact NZ-OE2 3.26Å; K744-E748 WeakPolarHBondContact O-CB 3.19Å; K744-E748 PolarHBondContact O-N 3.33Å; M745-E748 PolarHBondContact O-N 2.87Å; V746-E748 VanDerWaalsContact C-N 3.32Å; V746-E748 PolarHBondContact O-N 3.03Å
749	M	92.6	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-88.3	-26.4	178.3	-62.6	-178.3	-41.1	0	0	114.4	Y741 M745 V746 P817 F818 L819 T821	Y741-M749 HydrophobicContact CD1-CE 3.86Å; Y741-M749 HydrophobicContact CD2-CE 3.91Å; Y741-M749 HydrophobicContact CE1-CE 4.02Å; Y741-M749 HydrophobicContact CE2-CE 4.04Å; Y741-M749 HydrophobicContact CG-CE 3.83Å; M745-M749 HydrophobicContact CG-CE 3.8Å; M745-M749 HydrophobicContact CG-CG 4.4Å; M745-M749 HydrophobicContact CG-SD 3.73Å; M745-M749 WeakPolarHBondContact O-CB 3.39Å; M745-M749 VanDerWaalsContact O-CG 3.23Å; M745-M749 WeakPolarHBondContact O-CG 3.43Å; M745-M749 PolarHBondContact O-N 3.07Å; M745-M749 HydrophobicContact SD-CG 4.25Å; M745-M749 HydrophobicContact SD-SD 3.85Å; V746-M749 PolarHBondContact O-N 2.96Å; M749-P817 WeakPolarHBondContact O-CA 3.47Å; M749-F818 HydrophobicContact CB-CE1 4Å; M749-F818 HydrophobicContact CG-CE1 3.76Å; M749-F818 HydrophobicContact CG-CZ 4.02Å; M749-F818 PolarHBondContact O-N 2.94Å; M749-F818 VanDerWaalsContact O-N 3.11Å; M749-L819 HydrophobicContact CB-CB 4.43Å; M749-L819 HydrophobicContact CE-CD2 4.1Å; M749-L819 HydrophobicContact SD-CB 4.45Å; M749-L819 HydrophobicContact SD-CD2 3.77Å; M749-T821 HydrophobicContact CE-CG2 3.64Å
750	E	96.5	Very high	94.5	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.023	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	12.7	175.9	-67.1	-72.9	177.4	0	0	113.1	V746 L752 H784 N787 T821	V746-E750 HydrophobicContact CG1-CG 4.37Å; V746-E750 WeakPolarHBondContact O-CB 3.49Å; V746-E750 PolarHBondContact O-N 3.35Å; E750-L752 HydrophobicContact CB-CD1 4.46Å; E750-L752 HydrophobicContact CB-CG 4.1Å; E750-L752 PolarHBondContact O-N 2.95Å; E750-H784 IonicContact OE1-ND1 3.02Å; E750-H784 PolarHBondContact OE1-ND1 3.49Å; E750-H784 IonicContact OE2-CE1 2.71Å; E750-H784 IonicContact OE2-CG 3.84Å; E750-H784 IonicContact OE2-ND1 2.79Å; E750-H784 PolarHBondContact OE2-ND1 2.88Å; E750-N787 PolarHBondContact OE2-ND2 3.02Å; E750-T821 HydrophobicContact CG-CG2 4.14Å; E750-T821 VanDerWaalsContact CG-OG1 3.29Å; E750-T821 WeakPolarHBondContact CG-OG1 3.39Å; E750-T821 WeakPolarHBondContact OE1-CB 3.22Å; E750-T821 PolarHBondContact OE1-N 2.91Å; E750-T821 PolarHBondContact OE1-OG1 3.43Å
751	G	94.9	Very high	94.6	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	18.6	174.2	0	0	0	0	0	115.8	R747 S814 A815	R747-G751 PolarHBondContact O-N 3.3Å; G751-S814 PolarHBondContact O-N 3Å; G751-A815 WeakPolarHBondContact CA-O 3.41Å; G751-A815 PolarHBondContact O-N 2.97Å
752	L	96.6	Very high	94.8	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.068	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-86.6	147.6	-178.7	-52.9	-175.9	0	0	0	111.4	R747 E750 T762 V813	R747-L752 HydrophobicContact CB-CB 4.06Å; R747-L752 HydrophobicContact CG-CB 4.09Å; R747-L752 HydrophobicContact CG-CD1 4.25Å; R747-L752 PolarHBondContact O-N 3.48Å; E750-L752 HydrophobicContact CB-CD1 4.46Å; E750-L752 HydrophobicContact CB-CG 4.1Å; E750-L752 PolarHBondContact O-N 2.95Å; L752-T762 HydrophobicContact CD1-CG2 4.05Å; L752-V813 HydrophobicContact CD2-CG2 3.76Å
753	E	95.3	Very high	94.9	Very high	42 Å²	42	23.7 Å²	23.7	20%	0.196	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-52.6	145.3	168	-68.4	174	-173.3	0	0	112.5	R747 S757 R807 G812	R747-E753 WeakPolarHBondContact CD-O 3.48Å; R747-E753 PolarHBondContact NH1-O 2.71Å; E753-S757 VanDerWaalsContact OE2-CB 3.28Å; E753-S757 WeakPolarHBondContact OE2-CB 3.31Å; E753-S757 PolarHBondContact OE2-OG 3.16Å; E753-R807 VanDerWaalsContact CD-NH2 3.32Å; E753-R807 IonicContact OE1-CZ 3.48Å; E753-R807 VanDerWaalsContact OE1-CZ 3.24Å; E753-R807 IonicContact OE1-NE 3.24Å; E753-R807 PolarHBondContact OE1-NE 3.01Å; E753-R807 IonicContact OE1-NH2 2.8Å; E753-R807 PolarHBondContact OE1-NH2 2.93Å; E753-R807 IonicContact OE2-CZ 2.72Å; E753-R807 IonicContact OE2-NE 3.74Å; E753-R807 IonicContact OE2-NH2 2.69Å; E753-R807 PolarHBondContact OE2-NH2 2.94Å; E753-G812 PolarHBondContact N-O 3.41Å
754	A	92.6	Very high	95	Very high	79 Å²	79	23.6 Å²	23.6	65%	0.653	16%	0.156	S	C	*	.	P	Polyproline II helix	trans	-57.6	161.1	-179.5	0	0	0	0	0	113.6	G756 S757	A754-G756 PolarHBondContact O-N 3.27Å; A754-S757 WeakPolarHBondContact O-CB 3.37Å; A754-S757 PolarHBondContact O-N 2.67Å
755	S	90	Very high	95.2	Very high	46 Å²	46	22.4 Å²	22.4	32%	0.322	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.6	-167.4	-42.6	0	0	0	0	117.1	R768 N968	S755-R768 PolarHBondContact O-NH2 2.96Å; S755-N968 PolarHBondContact O-ND2 3.17Å
756	G	91.8	Very high	95.4	Very high	66 Å²	66	22.9 Å²	22.9	68%	0.68	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.3	171.4	0	0	0	0	0	114.9	A754 R768	A754-G756 PolarHBondContact O-N 3.27Å; G756-R768 PolarHBondContact O-NH1 3.1Å
757	S	94.5	Very high	95.4	Very high	13 Å²	13	22.9 Å²	22.9	9%	0.091	16%	0.156	C	C	.	.	S	Bend	trans	-42.2	148.8	179	175.7	0	0	0	0	113.9	E753 A754 Y759 R768	E753-S757 VanDerWaalsContact OE2-CB 3.28Å; E753-S757 WeakPolarHBondContact OE2-CB 3.31Å; E753-S757 PolarHBondContact OE2-OG 3.16Å; A754-S757 WeakPolarHBondContact O-CB 3.37Å; A754-S757 PolarHBondContact O-N 2.67Å; S757-Y759 PolarHBondContact O-N 2.78Å; S757-Y759 PolarHBondContact OG-N 3.17Å; S757-R768 PolarHBondContact O-NH1 3.38Å; S757-R768 PolarHBondContact O-NH2 3.31Å
758	T	96	Very high	95.4	Very high	71 Å²	71	25.2 Å²	25.2	44%	0.436	17%	0.165	S	C	.	.	S	Bend	trans	-55.6	-32.9	168	-56.9	0	0	0	0	112.3	I760 T767 R768	T758-I760 PolarHBondContact O-N 3.05Å; T758-T767 HydrophobicContact CG2-CG2 3.98Å; T758-T767 CarbonylContact O-C 3.6Å; T758-T767 VanDerWaalsContact O-CA 3.24Å; T758-T767 WeakPolarHBondContact O-CA 3.42Å; T758-R768 PolarHBondContact O-N 3.37Å
759	Y	96.9	Very high	95.6	Very high	6 Å²	6	26 Å²	26	2%	0.024	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-87.1	104.1	175.7	-56.3	-72.4	0	0	0	110.1	R747 S757 D765 T767 D808 K811	R747-Y759 PolarHBondContact NH1-O 2.61Å; R747-Y759 PolarHBondContact NH2-O 3.13Å; S757-Y759 PolarHBondContact O-N 2.78Å; S757-Y759 PolarHBondContact OG-N 3.17Å; Y759-D765 WeakPolarHBondContact CD1-O 3.4Å; Y759-T767 HydrophobicContact CD1-CG2 3.96Å; Y759-T767 HydrophobicContact CE1-CG2 3.66Å; Y759-D808 WeakPolarHBondContact OH-CA 3.35Å; Y759-D808 PolarHBondContact OH-OD1 2.98Å; Y759-K811 HydrophobicContact CD1-CB 4.32Å; Y759-K811 VanDerWaalsContact CD2-C 3.44Å; Y759-K811 VanDerWaalsContact CD2-O 3.27Å; Y759-K811 WeakPolarHBondContact CD2-O 3.35Å; Y759-K811 HydrophobicContact CE1-CB 4.21Å; Y759-K811 HydrophobicContact CE1-CD 3.92Å; Y759-K811 VanDerWaalsContact CE2-C 3.44Å
760	I	95.9	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.201	C	C	.	.			trans	-85.9	-22	-162.6	72.3	168.8	0	0	0	114	R747 T758 S766 R768 A771 I966 N968 H971	R747-I760 PolarHBondContact NH2-O 3.38Å; T758-I760 PolarHBondContact O-N 3.05Å; I760-S766 PolarHBondContact N-O 2.94Å; I760-R768 VanDerWaalsContact CG2-CA 3.44Å; I760-R768 HydrophobicContact CG2-CB 3.37Å; I760-R768 HydrophobicContact CG2-CG 3.87Å; I760-R768 VanDerWaalsContact CG2-CZ 3.5Å; I760-A771 HydrophobicContact CD1-CB 3.43Å; I760-A771 VanDerWaalsContact CD1-CB 3.43Å; I760-A771 HydrophobicContact CG1-CB 4.16Å; I760-I966 HydrophobicContact CD1-CG2 3.41Å; I760-I966 VanDerWaalsContact CD1-CG2 3.41Å; I760-N968 VanDerWaalsContact O-CB 3.32Å; I760-N968 WeakPolarHBondContact O-CB 3.4Å; I760-N968 VanDerWaalsContact O-CG 3.27Å; I760-N968 PolarHBondContact O-ND2 3.06Å; I760-H971 HydrophobicContact CD1-CB 3.55Å; I760-H971 HydrophobicContact CG1-CB 4.5Å
761	C	96.9	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.2	C	C	.	.			trans	-98.9	158.5	-177.1	-154.3	0	0	0	0	111.4	L763 C764 H971	C761-L763 VanDerWaalsContact SG-CB 3.59Å; C761-L763 PolarHBondContact SG-N 2.62Å; C761-L763 VanDerWaalsContact SG-N 3.36Å; C761-C764 WeakPolarHBondContact CB-O 3.38Å; C761-H971 WeakPolarHBondContact CB-NE2 3.36Å
762	T	97.4	Very high	95.7	Very high	14 Å²	14	31 Å²	31	9%	0.086	20%	0.203	C	C	.	.	S	Bend	trans	-103	1.6	166.5	57	0	0	0	0	111.3	E743 V746 R747 L752 K972	E743-T762 HydrophobicContact CG-CG2 4.05Å; V746-T762 HydrophobicContact CG1-CG2 4.19Å; R747-T762 HydrophobicContact CG-CG2 3.71Å; L752-T762 HydrophobicContact CD1-CG2 4.05Å; T762-K972 VanDerWaalsContact OG1-CE 3.25Å; T762-K972 WeakPolarHBondContact OG1-CE 3.26Å; T762-K972 PolarHBondContact OG1-NZ 2.75Å
763	L	97.8	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-117.1	-32.5	-172.6	-49.4	176.4	0	0	0	112	C761 I780 T781 R782 P823 K972 H976 I980	C761-L763 VanDerWaalsContact SG-CB 3.59Å; C761-L763 PolarHBondContact SG-N 2.62Å; C761-L763 VanDerWaalsContact SG-N 3.36Å; L763-I780 HydrophobicContact CB-CG1 4.21Å; L763-I780 HydrophobicContact CB-CG2 4.26Å; L763-I780 WeakPolarHBondContact O-CG2 2.84Å; L763-T781 PolarHBondContact O-N 3.42Å; L763-R782 PolarHBondContact O-N 2.59Å; L763-P823 HydrophobicContact CD2-CB 3.7Å; L763-K972 HydrophobicContact CD1-CG 4.49Å; L763-H976 HydrophobicContact CD1-CB 3.73Å; L763-I980 HydrophobicContact CD1-CD1 3.94Å
764	C	97.4	Very high	95.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.034	25%	0.245	C	C	.	.	S	Bend	trans	-137	169.3	179.4	77.7	0	0	0	0	111.7	C761 S779 T781 R782 H976	C761-C764 WeakPolarHBondContact CB-O 3.38Å; C764-S779 WeakPolarHBondContact CB-O 3.15Å; C764-T781 WeakPolarHBondContact CA-OG1 3.19Å; C764-R782 PolarHBondContact O-NE 3.17Å; C764-H976 PolarHBondContact SG-NE2 2.85Å; C764-H976 VanDerWaalsContact SG-NE2 3.35Å
765	D	97.7	Very high	95.8	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.182	22%	0.215	C	C	.	.			trans	-91.7	7.5	-171.3	-65.5	-59.3	0	0	0	115.6	Y759 T781 R782 R790 K811	Y759-D765 WeakPolarHBondContact CD1-O 3.4Å; D765-T781 PolarHBondContact OD2-OG1 3.15Å; D765-R782 IonicContact OD1-CZ 3.73Å; D765-R782 IonicContact OD1-NE 3.77Å; D765-R782 PolarHBondContact OD1-NE 2.79Å; D765-R782 IonicContact OD1-NH2 3.83Å; D765-R782 PolarHBondContact OD1-NH2 3.35Å; D765-R790 IonicContact OD1-CZ 2.68Å; D765-R790 IonicContact OD1-NH1 3.2Å; D765-R790 PolarHBondContact OD1-NH1 3.34Å; D765-R790 IonicContact OD1-NH2 3.7Å; D765-R790 PolarHBondContact OD1-NH2 3.22Å; D765-R790 IonicContact OD2-CZ 3.21Å; D765-R790 IonicContact OD2-NH1 3.51Å; D765-R790 IonicContact OD2-NH2 3.47Å; D765-R790 PolarHBondContact OD2-NH2 3.38Å; D765-K811 HydrophobicContact CB-CB 4.16Å; D765-K811 HydrophobicContact CB-CD 4.16Å; D765-K811 HydrophobicContact CB-CG 3.91Å; D765-K811 VanDerWaalsContact OD1-CB 3.3Å; D765-K811 WeakPolarHBondContact OD1-CB 3.36Å
766	S	97.2	Very high	96.1	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	20%	0.204	C	C	.	.			trans	-68	132.9	-175.1	-163	0	0	0	0	113	I760 A771 H778	I760-S766 PolarHBondContact N-O 2.94Å; S766-A771 PolarHBondContact OG-N 3.46Å; S766-H778 WeakPolarHBondContact CB-NE2 3.43Å; S766-H778 PolarHBondContact OG-NE2 3.13Å
767	T	97.1	Very high	96.4	Very high	22 Å²	22	37.9 Å²	37.9	14%	0.135	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-75.8	164.3	174.3	67.6	0	0	0	0	112.2	T758 Y759 A769 E770 A771	T758-T767 HydrophobicContact CG2-CG2 3.98Å; T758-T767 CarbonylContact O-C 3.6Å; T758-T767 VanDerWaalsContact O-CA 3.24Å; T758-T767 WeakPolarHBondContact O-CA 3.42Å; Y759-T767 HydrophobicContact CD1-CG2 3.96Å; Y759-T767 HydrophobicContact CE1-CG2 3.66Å; T767-A769 PolarHBondContact O-N 3.49Å; T767-E770 VanDerWaalsContact CB-OE2 3.26Å; T767-E770 WeakPolarHBondContact CB-OE2 3.24Å; T767-E770 WeakPolarHBondContact CG2-OE2 3.41Å; T767-E770 PolarHBondContact N-OE2 2.82Å; T767-E770 PolarHBondContact O-N 2.9Å; T767-E770 VanDerWaalsContact OG1-CG 3.31Å; T767-E770 WeakPolarHBondContact OG1-CG 3.36Å; T767-E770 PolarHBondContact OG1-N 2.95Å; T767-E770 PolarHBondContact OG1-OE2 3.38Å; T767-A771 VanDerWaalsContact O-CB 3.28Å; T767-A771 WeakPolarHBondContact O-CB 3.46Å; T767-A771 PolarHBondContact O-N 3.39Å
768	R	96	Very high	96.5	Very high	54 Å²	54	39.4 Å²	39.4	20%	0.204	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.9	179.7	-169.1	162.2	-69.8	104.9	3.9	114	S755 G756 S757 T758 I760 A772 K965 N968	S755-R768 PolarHBondContact O-NH2 2.96Å; G756-R768 PolarHBondContact O-NH1 3.1Å; S757-R768 PolarHBondContact O-NH1 3.38Å; S757-R768 PolarHBondContact O-NH2 3.31Å; T758-R768 PolarHBondContact O-N 3.37Å; I760-R768 VanDerWaalsContact CG2-CA 3.44Å; I760-R768 HydrophobicContact CG2-CB 3.37Å; I760-R768 HydrophobicContact CG2-CG 3.87Å; I760-R768 VanDerWaalsContact CG2-CZ 3.5Å; R768-A772 VanDerWaalsContact O-CB 3.3Å; R768-A772 WeakPolarHBondContact O-CB 3.41Å; R768-K965 HydrophobicContact CG-CB 4.4Å; R768-N968 PolarHBondContact NH2-OD1 3.38Å
769	A	95.7	Very high	96.6	Very high	60 Å²	60	39.1 Å²	39.1	50%	0.496	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-51.3	177.2	0	0	0	0	0	110.8	T767 A771 A772 Q773	T767-A769 PolarHBondContact O-N 3.49Å; A769-A771 PolarHBondContact O-N 2.99Å; A769-A772 PolarHBondContact O-N 3.03Å; A769-A772 VanDerWaalsContact O-N 3.13Å; A769-Q773 PolarHBondContact O-N 3.45Å; A769-Q773 VanDerWaalsContact O-N 3.17Å
770	E	95.9	Very high	96.6	Very high	102 Å²	102	40 Å²	40	48%	0.477	22%	0.216	S	C	.	.	H	α-helix	trans	-59.8	-48.4	178.5	-65.2	159.6	144.3	0	0	111.3	T767 A772 Q773 N774	T767-E770 VanDerWaalsContact CB-OE2 3.26Å; T767-E770 WeakPolarHBondContact CB-OE2 3.24Å; T767-E770 WeakPolarHBondContact CG2-OE2 3.41Å; T767-E770 PolarHBondContact N-OE2 2.82Å; T767-E770 PolarHBondContact O-N 2.9Å; T767-E770 VanDerWaalsContact OG1-CG 3.31Å; T767-E770 WeakPolarHBondContact OG1-CG 3.36Å; T767-E770 PolarHBondContact OG1-N 2.95Å; T767-E770 PolarHBondContact OG1-OE2 3.38Å; E770-A772 PolarHBondContact O-N 3.46Å; E770-A772 VanDerWaalsContact O-N 3.15Å; E770-Q773 PolarHBondContact O-N 3.34Å; E770-N774 PolarHBondContact O-N 3.33Å
771	A	96.4	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-10.2	179	0	0	0	0	0	114.2	I760 S766 T767 A769 N774 I966	I760-A771 HydrophobicContact CD1-CB 3.43Å; I760-A771 VanDerWaalsContact CD1-CB 3.43Å; I760-A771 HydrophobicContact CG1-CB 4.16Å; S766-A771 PolarHBondContact OG-N 3.46Å; T767-A771 VanDerWaalsContact O-CB 3.28Å; T767-A771 WeakPolarHBondContact O-CB 3.46Å; T767-A771 PolarHBondContact O-N 3.39Å; A769-A771 PolarHBondContact O-N 2.99Å; A771-N774 CarbonylContact C-O 3.42Å; A771-N774 VanDerWaalsContact CA-O 3.24Å; A771-N774 WeakPolarHBondContact CA-O 3.43Å; A771-I966 HydrophobicContact CB-CG2 4.03Å
772	A	95.5	Very high	96.6	Very high	11 Å²	11	43.3 Å²	43.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-96.1	-15.9	171.1	0	0	0	0	0	112.9	R768 A769 E770 M775 K965 I966	R768-A772 VanDerWaalsContact O-CB 3.3Å; R768-A772 WeakPolarHBondContact O-CB 3.41Å; A769-A772 PolarHBondContact O-N 3.03Å; A769-A772 VanDerWaalsContact O-N 3.13Å; E770-A772 PolarHBondContact O-N 3.46Å; E770-A772 VanDerWaalsContact O-N 3.15Å; A772-M775 WeakPolarHBondContact O-CE 3.18Å; A772-K965 VanDerWaalsContact CB-N 3.34Å; A772-I966 HydrophobicContact CB-CB 4.36Å; A772-I966 HydrophobicContact CB-CG2 4.42Å
773	Q	94.5	Very high	96.6	Very high	177 Å²	177	45 Å²	45	83%	0.827	25%	0.249	S	C	*	.	H	α-helix	trans	-92.4	-43.1	173.4	178.9	176	-14.8	0	0	111.5	A769 E770	A769-Q773 PolarHBondContact O-N 3.45Å; A769-Q773 VanDerWaalsContact O-N 3.17Å; E770-Q773 PolarHBondContact O-N 3.34Å
774	N	95.4	Very high	96.5	Very high	60 Å²	60	46.4 Å²	46.4	32%	0.321	26%	0.255	S	S	.	.	S	Bend	trans	-115.1	111	168.3	167.3	19.3	0	0	0	107.2	E770 A771 V776 L777 H778	E770-N774 PolarHBondContact O-N 3.33Å; A771-N774 CarbonylContact C-O 3.42Å; A771-N774 VanDerWaalsContact CA-O 3.24Å; A771-N774 WeakPolarHBondContact CA-O 3.43Å; N774-V776 PolarHBondContact OD1-N 3.43Å; N774-L777 PolarHBondContact ND2-O 3.35Å; N774-L777 PolarHBondContact OD1-N 2.9Å; N774-H778 PolarHBondContact O-CE1 3.36Å
775	M	96.2	Very high	96.5	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.025	28%	0.282	C	S	.	.	S	Bend	trans	-96.1	-14.2	-174.1	-59.9	-174.7	-177.8	0	0	114.5	A772 H778 A951 L954 S955 I966 L974	A772-M775 WeakPolarHBondContact O-CE 3.18Å; M775-H778 VanDerWaalsContact C-CE1 3.45Å; M775-A951 HydrophobicContact CB-CB 3.85Å; M775-A951 HydrophobicContact CG-CB 4.32Å; M775-A951 HydrophobicContact SD-CB 3.92Å; M775-L954 HydrophobicContact CE-CB 4.21Å; M775-L954 HydrophobicContact SD-CB 4.18Å; M775-L954 HydrophobicContact SD-CD1 3.9Å; M775-S955 WeakPolarHBondContact CE-OG 3.2Å; M775-I966 HydrophobicContact CB-CD1 4.31Å; M775-I966 HydrophobicContact CG-CD1 4.01Å; M775-I966 HydrophobicContact SD-CD1 4.05Å; M775-L974 HydrophobicContact CB-CD1 4.17Å; M775-L974 WeakPolarHBondContact O-CB 3.37Å; M775-L974 HydrophobicContact SD-CD1 4.42Å
776	V	96.7	Very high	96.5	Very high	17 Å²	17	52.6 Å²	52.6	10%	0.103	29%	0.286	C	S	.	.	S	Bend	trans	-130.2	-29.4	-163.5	-71	0	0	0	0	114.7	N774 H778 A951 L974	N774-V776 PolarHBondContact OD1-N 3.43Å; V776-H778 PolarHBondContact O-N 3.48Å; V776-A951 HydrophobicContact CG1-CB 4.02Å; V776-L974 HydrophobicContact CG1-CB 3.95Å
777	L	96.4	Very high	96.6	Very high	132 Å²	132	52.3 Å²	52.3	69%	0.691	28%	0.283	S	S	*	.			trans	-93.1	84.6	-177.5	-63.2	-179.7	0	0	0	110.5	N774	N774-L777 PolarHBondContact ND2-O 3.35Å; N774-L777 PolarHBondContact OD1-N 2.9Å
778	H	97.8	Very high	96.6	Very high	45 Å²	45	53.4 Å²	53.4	21%	0.208	29%	0.288	C	S	.	.			trans	-137.8	162.1	170.2	-54.1	94.2	0	0	0	109.2	S766 N774 M775 V776 H971 A975	S766-H778 WeakPolarHBondContact CB-NE2 3.43Å; S766-H778 PolarHBondContact OG-NE2 3.13Å; N774-H778 PolarHBondContact O-CE1 3.36Å; M775-H778 VanDerWaalsContact C-CE1 3.45Å; V776-H778 PolarHBondContact O-N 3.48Å; H778-H971 AromaticContact CE1-CE1 3.64Å; H778-H971 AromaticContact CE1-ND1 3.46Å; H778-H971 PolarHBondContact CE1-ND1 2.98Å; H778-H971 AromaticContact CG-CE1 3.83Å; H778-H971 AromaticContact ND1-CE1 3.36Å; H778-H971 PolarHBondContact ND1-CE1 2.97Å; H778-H971 AromaticContact ND1-ND1 3.79Å; H778-A975 HydrophobicContact CB-CB 4.13Å
779	S	96.9	Very high	96.7	Very high	65 Å²	65	57.3 Å²	57.3	46%	0.455	31%	0.309	S	S	.	.			trans	-118.1	165.2	165.3	63.5	0	0	0	0	110.3	C764 H976 E979	C764-S779 WeakPolarHBondContact CB-O 3.15Å; S779-H976 PolarHBondContact O-CE1 3.47Å; S779-E979 VanDerWaalsContact CA-OE2 3.29Å; S779-E979 WeakPolarHBondContact CA-OE2 3.04Å
780	I	98.1	Very high	96.8	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.128	29%	0.29	C	S	.	.			trans	-71.4	134	166	-55.8	174.4	0	0	0	108.5	L763 P823 E979 I980	L763-I780 HydrophobicContact CB-CG1 4.21Å; L763-I780 HydrophobicContact CB-CG2 4.26Å; L763-I780 WeakPolarHBondContact O-CG2 2.84Å; I780-P823 HydrophobicContact CG2-CB 4.09Å; I780-P823 HydrophobicContact CG2-CG 4.47Å; I780-E979 VanDerWaalsContact CB-OE1 3.24Å; I780-E979 WeakPolarHBondContact CB-OE1 3.37Å; I780-E979 HydrophobicContact CD1-CG 4.19Å; I780-E979 HydrophobicContact CG1-CG 4.4Å; I780-E979 WeakPolarHBondContact CG1-OE1 3.24Å; I780-E979 PolarHBondContact N-OE1 2.86Å; I780-E979 VanDerWaalsContact N-OE1 3.15Å; I780-E979 PolarHBondContact N-OE2 2.93Å; I780-I980 HydrophobicContact CD1-CG1 3.82Å
781	T	96.1	Very high	97	Very high	64 Å²	64	53 Å²	53	39%	0.393	28%	0.276	S	S	.	.			trans	-119.8	-43.4	173.4	55.4	0	0	0	0	111.4	L763 C764 D765	L763-T781 PolarHBondContact O-N 3.42Å; C764-T781 WeakPolarHBondContact CA-OG1 3.19Å; D765-T781 PolarHBondContact OD2-OG1 3.15Å
782	R	96.8	Very high	97	Very high	6 Å²	6	55.4 Å²	55.4	2%	0.023	29%	0.287	C	S	.	.			trans	-71.2	131.8	-167.8	-63.8	-174.7	179.4	-158.5	-6.7	113.1	L763 C764 D765 E786 K811	L763-R782 PolarHBondContact O-N 2.59Å; C764-R782 PolarHBondContact O-NE 3.17Å; D765-R782 IonicContact OD1-CZ 3.73Å; D765-R782 IonicContact OD1-NE 3.77Å; D765-R782 PolarHBondContact OD1-NE 2.79Å; D765-R782 IonicContact OD1-NH2 3.83Å; D765-R782 PolarHBondContact OD1-NH2 3.35Å; R782-E786 WeakPolarHBondContact CA-OE2 3.47Å; R782-K811 PolarHBondContact NH2-O 3.05Å
783	S	97	Very high	97.2	Very high	50 Å²	50	57.6 Å²	57.6	35%	0.35	30%	0.297	S	S	.	.			trans	-130.8	165	170.3	73	0	0	0	0	110.9	E786 N787	S783-E786 PolarHBondContact O-N 3.06Å; S783-E786 VanDerWaalsContact OG-CB 3.31Å; S783-E786 WeakPolarHBondContact OG-CB 3.5Å; S783-E786 PolarHBondContact OG-N 2.89Å; S783-N787 PolarHBondContact O-N 2.63Å; S783-N787 PolarHBondContact O-ND2 3.36Å
784	H	96.6	Very high	97.4	Very high	29 Å²	29	52.4 Å²	52.4	13%	0.134	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-43.5	179.9	-172.7	64.6	0	0	0	112.4	E750 N787 L788 P817 E820	E750-H784 IonicContact OE1-ND1 3.02Å; E750-H784 PolarHBondContact OE1-ND1 3.49Å; E750-H784 IonicContact OE2-CE1 2.71Å; E750-H784 IonicContact OE2-CG 3.84Å; E750-H784 IonicContact OE2-ND1 2.79Å; E750-H784 PolarHBondContact OE2-ND1 2.88Å; H784-N787 PolarHBondContact O-N 2.83Å; H784-L788 WeakPolarHBondContact O-CG 3.25Å; H784-L788 PolarHBondContact O-N 3Å; H784-P817 WeakPolarHBondContact CE1-CB 3.33Å; H784-E820 HydrophobicContact CB-CB 4.41Å; H784-E820 HydrophobicContact CB-CG 4.07Å; H784-E820 PolarHBondContact CE1-N 3.06Å
785	D	96.9	Very high	97.5	Very high	111 Å²	111	56.9 Å²	56.9	59%	0.594	28%	0.282	S	S	*	.	H	α-helix	trans	-66.3	-39.9	179.1	-53.9	-50.8	0	0	0	111.2	L788 E789	D785-L788 WeakPolarHBondContact O-CB 3.35Å; D785-L788 PolarHBondContact O-N 2.99Å; D785-E789 PolarHBondContact O-N 3.12Å
786	E	97.8	Very high	97.6	Very high	57 Å²	57	60.7 Å²	60.7	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-39.3	173.9	-164.1	-159.7	-169.1	0	0	111.7	R782 S783 L788 E789 R790	R782-E786 WeakPolarHBondContact CA-OE2 3.47Å; S783-E786 PolarHBondContact O-N 3.06Å; S783-E786 VanDerWaalsContact OG-CB 3.31Å; S783-E786 WeakPolarHBondContact OG-CB 3.5Å; S783-E786 PolarHBondContact OG-N 2.89Å; E786-L788 VanDerWaalsContact C-N 3.29Å; E786-L788 PolarHBondContact O-N 3.11Å; E786-E789 PolarHBondContact O-N 2.73Å; E786-R790 VanDerWaalsContact CD-CZ 3.47Å; E786-R790 HydrophobicContact CG-CG 4.4Å; E786-R790 VanDerWaalsContact O-CB 3.3Å; E786-R790 WeakPolarHBondContact O-CB 3.29Å; E786-R790 WeakPolarHBondContact O-CD 3.44Å; E786-R790 WeakPolarHBondContact O-CG 3.44Å; E786-R790 PolarHBondContact O-N 2.95Å; E786-R790 IonicContact OE1-CZ 3.8Å; E786-R790 IonicContact OE1-NE 2.85Å; E786-R790 PolarHBondContact OE1-NE 3.2Å; E786-R790 IonicContact OE1-NH2 3.18Å; E786-R790 PolarHBondContact OE1-NH2 3.36Å; E786-R790 IonicContact OE2-CZ 2.68Å; E786-R790 IonicContact OE2-NE 2.82Å; E786-R790 PolarHBondContact OE2-NE 3.41Å; E786-R790 IonicContact OE2-NH2 3.01Å; E786-R790 PolarHBondContact OE2-NH2 3.1Å
787	N	98	Very high	97.6	Very high	6 Å²	6	62 Å²	62	3%	0.032	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-36.5	173.8	-66.3	-30.3	0	0	0	111.4	E750 S783 H784 Y791 P817	E750-N787 PolarHBondContact OE2-ND2 3.02Å; S783-N787 PolarHBondContact O-N 2.63Å; S783-N787 PolarHBondContact O-ND2 3.36Å; H784-N787 PolarHBondContact O-N 2.83Å; N787-Y791 WeakPolarHBondContact O-CB 3.46Å; N787-Y791 PolarHBondContact O-N 2.85Å; N787-P817 HydrophobicContact CB-CG 3.46Å; N787-P817 VanDerWaalsContact CB-CG 3.46Å
788	L	98.3	Very high	97.7	Very high	46 Å²	46	59.5 Å²	59.5	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-45.8	174.8	-74.4	164.7	0	0	0	111.5	H784 D785 E786 Y791 E792 K816 P817	H784-L788 WeakPolarHBondContact O-CG 3.25Å; H784-L788 PolarHBondContact O-N 3Å; D785-L788 WeakPolarHBondContact O-CB 3.35Å; D785-L788 PolarHBondContact O-N 2.99Å; E786-L788 VanDerWaalsContact C-N 3.29Å; E786-L788 PolarHBondContact O-N 3.11Å; L788-Y791 PolarHBondContact O-N 3.44Å; L788-E792 WeakPolarHBondContact O-CG 3.44Å; L788-E792 PolarHBondContact O-N 3.27Å; L788-K816 HydrophobicContact CD2-CG 4.07Å; L788-P817 HydrophobicContact CD2-CB 4.1Å; L788-P817 HydrophobicContact CD2-CG 4.21Å; L788-P817 HydrophobicContact CG-CB 4.21Å; L788-P817 HydrophobicContact CG-CG 4.18Å
789	E	98	Very high	97.6	Very high	136 Å²	136	62.9 Å²	62.9	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-62.3	-46.1	175.3	-70.4	-176.2	175.6	0	0	112.2	D785 E786 Y791 E792 I793	D785-E789 PolarHBondContact O-N 3.12Å; E786-E789 PolarHBondContact O-N 2.73Å; E789-Y791 VanDerWaalsContact C-N 3.3Å; E789-Y791 PolarHBondContact O-N 2.93Å; E789-E792 PolarHBondContact O-N 3.07Å; E789-E792 VanDerWaalsContact O-N 3.11Å; E789-I793 WeakPolarHBondContact O-CG1 3.48Å; E789-I793 PolarHBondContact O-N 2.81Å
790	R	98.3	Very high	97.6	Very high	24 Å²	24	65 Å²	65	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-39.5	175.6	-72.8	167.2	175.2	-146.3	7.9	112	D765 E786 I793 W794 V810 V813	D765-R790 IonicContact OD1-CZ 2.68Å; D765-R790 IonicContact OD1-NH1 3.2Å; D765-R790 PolarHBondContact OD1-NH1 3.34Å; D765-R790 IonicContact OD1-NH2 3.7Å; D765-R790 PolarHBondContact OD1-NH2 3.22Å; D765-R790 IonicContact OD2-CZ 3.21Å; D765-R790 IonicContact OD2-NH1 3.51Å; D765-R790 IonicContact OD2-NH2 3.47Å; D765-R790 PolarHBondContact OD2-NH2 3.38Å; E786-R790 VanDerWaalsContact CD-CZ 3.47Å; E786-R790 HydrophobicContact CG-CG 4.4Å; E786-R790 VanDerWaalsContact O-CB 3.3Å; E786-R790 WeakPolarHBondContact O-CB 3.29Å; E786-R790 WeakPolarHBondContact O-CD 3.44Å; E786-R790 WeakPolarHBondContact O-CG 3.44Å; E786-R790 PolarHBondContact O-N 2.95Å; E786-R790 IonicContact OE1-CZ 3.8Å; E786-R790 IonicContact OE1-NE 2.85Å; E786-R790 PolarHBondContact OE1-NE 3.2Å; E786-R790 IonicContact OE1-NH2 3.18Å; E786-R790 PolarHBondContact OE1-NH2 3.36Å; E786-R790 IonicContact OE2-CZ 2.68Å; E786-R790 IonicContact OE2-NE 2.82Å; E786-R790 PolarHBondContact OE2-NE 3.41Å; E786-R790 IonicContact OE2-NH2 3.01Å; E786-R790 PolarHBondContact OE2-NH2 3.1Å; R790-I793 PolarHBondContact O-N 2.93Å; R790-W794 WeakPolarHBondContact O-CB 3.09Å; R790-W794 PolarHBondContact O-N 2.98Å; R790-V810 HydrophobicContact CB-CB 4.33Å; R790-V810 WeakPolarHBondContact O-CG1 3.43Å; R790-V813 HydrophobicContact CB-CB 4.02Å; R790-V813 HydrophobicContact CB-CG1 4.23Å; R790-V813 HydrophobicContact CB-CG2 3.98Å
791	Y	98.4	Very high	97.6	Very high	46 Å²	46	65.9 Å²	65.9	18%	0.18	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-41	173.3	172.8	-97.1	0	0	0	112.5	N787 L788 E789 I793 W794 R795 A815 K816	N787-Y791 WeakPolarHBondContact O-CB 3.46Å; N787-Y791 PolarHBondContact O-N 2.85Å; L788-Y791 PolarHBondContact O-N 3.44Å; E789-Y791 VanDerWaalsContact C-N 3.3Å; E789-Y791 PolarHBondContact O-N 2.93Å; Y791-I793 VanDerWaalsContact C-N 3.33Å; Y791-I793 PolarHBondContact O-N 3.36Å; Y791-W794 WeakPolarHBondContact O-CB 3.41Å; Y791-W794 PolarHBondContact O-N 3.13Å; Y791-R795 HydrophobicContact CE1-CB 4.17Å; Y791-R795 HydrophobicContact CE1-CG 4.5Å; Y791-R795 WeakPolarHBondContact O-CB 3.47Å; Y791-R795 PolarHBondContact O-N 3.25Å; Y791-R795 WeakPolarHBondContact OH-CD 3.29Å; Y791-A815 VanDerWaalsContact CD2-O 3.24Å; Y791-A815 WeakPolarHBondContact CD2-O 3.28Å; Y791-K816 HydrophobicContact CD1-CB 3.7Å; Y791-K816 HydrophobicContact CD1-CD 3.79Å; Y791-K816 HydrophobicContact CD1-CG 3.62Å; Y791-K816 HydrophobicContact CD2-CB 4.09Å; Y791-K816 HydrophobicContact CE1-CB 3.65Å; Y791-K816 HydrophobicContact CE1-CD 3.69Å; Y791-K816 HydrophobicContact CE1-CG 3.85Å; Y791-K816 HydrophobicContact CE2-CB 4.04Å; Y791-K816 HydrophobicContact CG-CB 3.91Å; Y791-K816 HydrophobicContact CG-CG 4.12Å
792	E	98.4	Very high	97.7	Very high	52 Å²	52	65.6 Å²	65.6	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-68	-33.4	177.6	-65.2	-59.5	158	0	0	111.9	L788 E789 R795 T796 K816	L788-E792 WeakPolarHBondContact O-CG 3.44Å; L788-E792 PolarHBondContact O-N 3.27Å; E789-E792 PolarHBondContact O-N 3.07Å; E789-E792 VanDerWaalsContact O-N 3.11Å; E792-R795 PolarHBondContact O-N 3.15Å; E792-R795 IonicContact OE1-NE 3.86Å; E792-R795 IonicContact OE1-NH2 3.97Å; E792-R795 IonicContact OE2-CZ 3.13Å; E792-R795 IonicContact OE2-NE 2.76Å; E792-R795 PolarHBondContact OE2-NE 2.92Å; E792-R795 IonicContact OE2-NH2 2.67Å; E792-R795 PolarHBondContact OE2-NH2 3.35Å; E792-T796 WeakPolarHBondContact O-CB 3.47Å; E792-T796 WeakPolarHBondContact O-CG2 3.47Å; E792-T796 PolarHBondContact O-N 3.12Å; E792-T796 PolarHBondContact O-OG1 3.27Å; E792-K816 IonicContact OE1-NZ 3.26Å; E792-K816 PolarHBondContact OE1-NZ 3.38Å
793	I	98.3	Very high	97.8	Very high	57 Å²	57	70.2 Å²	70.2	29%	0.292	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-47.3	169.3	-66	166.6	0	0	0	110.9	E789 R790 Y791 R795 T796 N797 P798 L806 V810	E789-I793 WeakPolarHBondContact O-CG1 3.48Å; E789-I793 PolarHBondContact O-N 2.81Å; R790-I793 PolarHBondContact O-N 2.93Å; Y791-I793 VanDerWaalsContact C-N 3.33Å; Y791-I793 PolarHBondContact O-N 3.36Å; I793-R795 PolarHBondContact O-N 3.44Å; I793-T796 PolarHBondContact O-N 3.12Å; I793-N797 WeakPolarHBondContact O-CA 3.2Å; I793-N797 PolarHBondContact O-N 3Å; I793-P798 WeakPolarHBondContact O-CD 3.36Å; I793-L806 HydrophobicContact CG2-CD1 4.47Å; I793-V810 HydrophobicContact CB-CG1 4.22Å; I793-V810 HydrophobicContact CG2-CG1 3.91Å
794	W	98.3	Very high	97.8	Very high	67 Å²	67	73.7 Å²	73.7	25%	0.254	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-44.7	175.2	171.1	-102.6	0	0	0	112.2	R790 Y791 V803 L806 R807 V810 S814	R790-W794 WeakPolarHBondContact O-CB 3.09Å; R790-W794 PolarHBondContact O-N 2.98Å; Y791-W794 WeakPolarHBondContact O-CB 3.41Å; Y791-W794 PolarHBondContact O-N 3.13Å; W794-V803 HydrophobicContact CH2-CG1 4.17Å; W794-L806 HydrophobicContact CD2-CD2 4.42Å; W794-L806 HydrophobicContact CE3-CD2 3.77Å; W794-L806 HydrophobicContact CE3-CG 3.82Å; W794-L806 HydrophobicContact CZ3-CB 4.49Å; W794-L806 HydrophobicContact CZ3-CD2 4.12Å; W794-L806 HydrophobicContact CZ3-CG 4.21Å; W794-R807 HydrophobicContact CZ3-CB 3.98Å; W794-V810 HydrophobicContact CB-CG1 4.09Å; W794-V810 HydrophobicContact CB-CG2 4.32Å; W794-V810 HydrophobicContact CE3-CG2 3.9Å; W794-S814 PolarHBondContact NE1-O 2.99Å
795	R	98.1	Very high	97.8	Very high	154 Å²	154	77.7 Å²	77.7	58%	0.581	40%	0.399	S	S	*	.	H	α-helix	trans	-70.2	-34.7	-178.2	-172.9	177.3	72.4	104.5	-0.4	113.3	Y791 E792 I793	Y791-R795 HydrophobicContact CE1-CB 4.17Å; Y791-R795 HydrophobicContact CE1-CG 4.5Å; Y791-R795 WeakPolarHBondContact O-CB 3.47Å; Y791-R795 PolarHBondContact O-N 3.25Å; Y791-R795 WeakPolarHBondContact OH-CD 3.29Å; E792-R795 PolarHBondContact O-N 3.15Å; E792-R795 IonicContact OE1-NE 3.86Å; E792-R795 IonicContact OE1-NH2 3.97Å; E792-R795 IonicContact OE2-CZ 3.13Å; E792-R795 IonicContact OE2-NE 2.76Å; E792-R795 PolarHBondContact OE2-NE 2.92Å; E792-R795 IonicContact OE2-NH2 2.67Å; E792-R795 PolarHBondContact OE2-NH2 3.35Å; I793-R795 PolarHBondContact O-N 3.44Å
796	T	97.8	Very high	97.9	Very high	85 Å²	85	72.9 Å²	72.9	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-95.9	-21.3	-175.6	56.8	0	0	0	0	114	E792 I793	E792-T796 WeakPolarHBondContact O-CB 3.47Å; E792-T796 WeakPolarHBondContact O-CG2 3.47Å; E792-T796 PolarHBondContact O-N 3.12Å; E792-T796 PolarHBondContact O-OG1 3.27Å; I793-T796 PolarHBondContact O-N 3.12Å
797	N	97.9	Very high	97.9	Very high	44 Å²	44	72.6 Å²	72.6	24%	0.235	37%	0.37	C	S	.	.			trans	38.9	61.7	-174.1	-168.5	0.2	0	0	0	113.1	I793 F799 S800 E801 L806	I793-N797 WeakPolarHBondContact O-CA 3.2Å; I793-N797 PolarHBondContact O-N 3Å; N797-F799 PolarHBondContact O-N 3.35Å; N797-S800 PolarHBondContact O-N 3.1Å; N797-S800 WeakPolarHBondContact OD1-CA 3.48Å; N797-S800 PolarHBondContact OD1-N 3.09Å; N797-E801 PolarHBondContact ND2-N 2.64Å; N797-E801 PolarHBondContact ND2-O 2.81Å; N797-E801 PolarHBondContact OD1-N 2.63Å; N797-L806 HydrophobicContact CB-CD1 4.41Å; N797-L806 HydrophobicContact CB-CD2 3.9Å
798	P	97.7	Very high	97.9	Very high	80 Å²	80	75.5 Å²	75.5	52%	0.519	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.6	-172.3	28.6	-35	0	0	0	113.3	I793	I793-P798 WeakPolarHBondContact O-CD 3.36Å
799	F	96.9	Very high	97.8	Very high	117 Å²	117	78.8 Å²	78.8	51%	0.513	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-5.4	178	-56.4	-68.1	0	0	0	113.5	N797 E801 R809	N797-F799 PolarHBondContact O-N 3.35Å; F799-E801 HydrophobicContact CB-CG 3.77Å; F799-E801 PolarHBondContact O-N 3.34Å; F799-R809 VanDerWaalsContact CD2-NE 3.35Å
800	S	96.8	Very high	97.8	Very high	110 Å²	110	72.4 Å²	72.4	77%	0.769	37%	0.365	S	S	*	.			trans	54.4	34.6	-174.3	-57.1	0	0	0	0	114.1	N797	N797-S800 PolarHBondContact O-N 3.1Å; N797-S800 WeakPolarHBondContact OD1-CA 3.48Å; N797-S800 PolarHBondContact OD1-N 3.09Å
801	E	97.9	Very high	97.8	Very high	42 Å²	42	74 Å²	74	20%	0.196	37%	0.372	C	S	.	.			trans	-71.8	158.1	-179	-76	170.2	154.3	0	0	112.3	N797 F799 E805 L806 R809	N797-E801 PolarHBondContact ND2-N 2.64Å; N797-E801 PolarHBondContact ND2-O 2.81Å; N797-E801 PolarHBondContact OD1-N 2.63Å; F799-E801 HydrophobicContact CB-CG 3.77Å; F799-E801 PolarHBondContact O-N 3.34Å; E801-E805 HydrophobicContact CB-CB 4.06Å; E801-E805 HydrophobicContact CG-CB 4.41Å; E801-L806 HydrophobicContact CB-CB 4.09Å; E801-R809 VanDerWaalsContact CD-NE 3.25Å; E801-R809 IonicContact OE1-CZ 3.23Å; E801-R809 VanDerWaalsContact OE1-CZ 3.23Å; E801-R809 IonicContact OE1-NE 2.98Å; E801-R809 PolarHBondContact OE1-NE 3.38Å; E801-R809 IonicContact OE1-NH2 2.66Å; E801-R809 PolarHBondContact OE1-NH2 3.09Å; E801-R809 VanDerWaalsContact OE2-CD 3.3Å; E801-R809 WeakPolarHBondContact OE2-CD 3.48Å; E801-R809 IonicContact OE2-CZ 3.77Å; E801-R809 IonicContact OE2-NE 2.76Å; E801-R809 PolarHBondContact OE2-NE 3.5Å; E801-R809 IonicContact OE2-NH2 3.94Å
802	S	97.9	Very high	97.7	Very high	59 Å²	59	71.9 Å²	71.9	41%	0.413	37%	0.365	S	S	.	.			trans	-67.6	163.2	169.4	72.3	0	0	0	0	111.4	D804 E805 L806	S802-D804 VanDerWaalsContact C-N 3.29Å; S802-D804 PolarHBondContact O-N 2.85Å; S802-E805 WeakPolarHBondContact CB-OE2 3.35Å; S802-E805 PolarHBondContact N-OE2 2.79Å; S802-E805 PolarHBondContact O-N 2.84Å; S802-E805 VanDerWaalsContact OG-CD 3.22Å; S802-E805 WeakPolarHBondContact OG-CG 3.03Å; S802-E805 PolarHBondContact OG-OE2 3.09Å; S802-L806 VanDerWaalsContact O-CB 3.3Å; S802-L806 WeakPolarHBondContact O-CB 3.35Å; S802-L806 PolarHBondContact O-N 2.8Å
803	V	97.6	Very high	97.7	Very high	103 Å²	103	69.4 Å²	69.4	62%	0.624	35%	0.354	S	S	*	.	H	α-helix	trans	-58.9	-39.1	-175.3	-179.7	0	0	0	0	112.1	W794 R807	W794-V803 HydrophobicContact CH2-CG1 4.17Å; V803-R807 WeakPolarHBondContact O-CB 3.44Å; V803-R807 PolarHBondContact O-N 3Å
804	D	97.3	Very high	97.5	Very high	123 Å²	123	68.9 Å²	68.9	66%	0.658	36%	0.355	S	S	*	.	H	α-helix	trans	-73.7	-38.2	-179.6	-69.9	-51.6	0	0	0	112.7	S802 D808	S802-D804 VanDerWaalsContact C-N 3.29Å; S802-D804 PolarHBondContact O-N 2.85Å; D804-D808 PolarHBondContact O-N 2.89Å; D804-D808 VanDerWaalsContact O-N 3.08Å
805	E	97.7	Very high	97.5	Very high	113 Å²	113	67.9 Å²	67.9	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-66.8	-48.9	175.2	-69.1	164.4	139.4	0	0	111.1	E801 S802 R807 D808 R809	E801-E805 HydrophobicContact CB-CB 4.06Å; E801-E805 HydrophobicContact CG-CB 4.41Å; S802-E805 WeakPolarHBondContact CB-OE2 3.35Å; S802-E805 PolarHBondContact N-OE2 2.79Å; S802-E805 PolarHBondContact O-N 2.84Å; S802-E805 VanDerWaalsContact OG-CD 3.22Å; S802-E805 WeakPolarHBondContact OG-CG 3.03Å; S802-E805 PolarHBondContact OG-OE2 3.09Å; E805-R807 VanDerWaalsContact C-N 3.32Å; E805-R807 PolarHBondContact O-N 3.05Å; E805-D808 PolarHBondContact O-N 3.26Å; E805-D808 VanDerWaalsContact O-N 3.14Å; E805-R809 PolarHBondContact O-N 2.98Å
806	L	98.1	Very high	97.4	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-41.6	177.2	-175.5	67.8	0	0	0	111.1	I793 W794 N797 E801 S802 D808 R809 V810	I793-L806 HydrophobicContact CG2-CD1 4.47Å; W794-L806 HydrophobicContact CD2-CD2 4.42Å; W794-L806 HydrophobicContact CE3-CD2 3.77Å; W794-L806 HydrophobicContact CE3-CG 3.82Å; W794-L806 HydrophobicContact CZ3-CB 4.49Å; W794-L806 HydrophobicContact CZ3-CD2 4.12Å; W794-L806 HydrophobicContact CZ3-CG 4.21Å; N797-L806 HydrophobicContact CB-CD1 4.41Å; N797-L806 HydrophobicContact CB-CD2 3.9Å; E801-L806 HydrophobicContact CB-CB 4.09Å; S802-L806 VanDerWaalsContact O-CB 3.3Å; S802-L806 WeakPolarHBondContact O-CB 3.35Å; S802-L806 PolarHBondContact O-N 2.8Å; L806-D808 VanDerWaalsContact C-N 3.29Å; L806-D808 PolarHBondContact O-N 2.8Å; L806-R809 WeakPolarHBondContact O-CB 3.3Å; L806-R809 PolarHBondContact O-N 3.2Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 2.94Å
807	R	97.9	Very high	97.4	Very high	51 Å²	51	61.5 Å²	61.5	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-37.9	175.3	179.2	-171.6	167.6	-70.3	-18.9	111.8	E753 W794 V803 E805 K811 G812	E753-R807 VanDerWaalsContact CD-NH2 3.32Å; E753-R807 IonicContact OE1-CZ 3.48Å; E753-R807 VanDerWaalsContact OE1-CZ 3.24Å; E753-R807 IonicContact OE1-NE 3.24Å; E753-R807 PolarHBondContact OE1-NE 3.01Å; E753-R807 IonicContact OE1-NH2 2.8Å; E753-R807 PolarHBondContact OE1-NH2 2.93Å; E753-R807 IonicContact OE2-CZ 2.72Å; E753-R807 IonicContact OE2-NE 3.74Å; E753-R807 IonicContact OE2-NH2 2.69Å; E753-R807 PolarHBondContact OE2-NH2 2.94Å; W794-R807 HydrophobicContact CZ3-CB 3.98Å; V803-R807 WeakPolarHBondContact O-CB 3.44Å; V803-R807 PolarHBondContact O-N 3Å; E805-R807 VanDerWaalsContact C-N 3.32Å; E805-R807 PolarHBondContact O-N 3.05Å; R807-K811 PolarHBondContact O-N 3.36Å; R807-K811 VanDerWaalsContact O-N 3.13Å; R807-G812 PolarHBondContact O-N 3.43Å
808	D	97.9	Very high	97.2	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-74	-40	173	-172.9	61.4	0	0	0	112.8	Y759 D804 E805 L806 V810 K811	Y759-D808 WeakPolarHBondContact OH-CA 3.35Å; Y759-D808 PolarHBondContact OH-OD1 2.98Å; D804-D808 PolarHBondContact O-N 2.89Å; D804-D808 VanDerWaalsContact O-N 3.08Å; E805-D808 PolarHBondContact O-N 3.26Å; E805-D808 VanDerWaalsContact O-N 3.14Å; L806-D808 VanDerWaalsContact C-N 3.29Å; L806-D808 PolarHBondContact O-N 2.8Å; D808-V810 VanDerWaalsContact C-N 3.26Å; D808-V810 PolarHBondContact O-N 3.26Å; D808-K811 WeakPolarHBondContact O-CD 3.39Å; D808-K811 WeakPolarHBondContact O-CE 3.34Å; D808-K811 WeakPolarHBondContact O-CG 3.41Å; D808-K811 PolarHBondContact O-N 3.28Å; D808-K811 PolarHBondContact O-NZ 2.91Å; D808-K811 IonicContact OD1-NZ 3.67Å; D808-K811 PolarHBondContact OD1-NZ 3.29Å; D808-K811 IonicContact OD2-NZ 3.39Å; D808-K811 PolarHBondContact OD2-NZ 3.08Å
809	R	97.4	Very high	97	Very high	115 Å²	115	57.7 Å²	57.7	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-52.6	-44.6	174	176.3	175	-65.3	-79.1	-0.8	112.1	F799 E801 E805 L806 K811	F799-R809 VanDerWaalsContact CD2-NE 3.35Å; E801-R809 VanDerWaalsContact CD-NE 3.25Å; E801-R809 IonicContact OE1-CZ 3.23Å; E801-R809 VanDerWaalsContact OE1-CZ 3.23Å; E801-R809 IonicContact OE1-NE 2.98Å; E801-R809 PolarHBondContact OE1-NE 3.38Å; E801-R809 IonicContact OE1-NH2 2.66Å; E801-R809 PolarHBondContact OE1-NH2 3.09Å; E801-R809 VanDerWaalsContact OE2-CD 3.3Å; E801-R809 WeakPolarHBondContact OE2-CD 3.48Å; E801-R809 IonicContact OE2-CZ 3.77Å; E801-R809 IonicContact OE2-NE 2.76Å; E801-R809 PolarHBondContact OE2-NE 3.5Å; E801-R809 IonicContact OE2-NH2 3.94Å; E805-R809 PolarHBondContact O-N 2.98Å; L806-R809 WeakPolarHBondContact O-CB 3.3Å; L806-R809 PolarHBondContact O-N 3.2Å; R809-K811 VanDerWaalsContact C-N 3.35Å
810	V	97.8	Very high	96.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.5	179.5	-52	0	0	0	0	113.7	R790 I793 W794 L806 D808 G812 V813	R790-V810 HydrophobicContact CB-CB 4.33Å; R790-V810 WeakPolarHBondContact O-CG1 3.43Å; I793-V810 HydrophobicContact CB-CG1 4.22Å; I793-V810 HydrophobicContact CG2-CG1 3.91Å; W794-V810 HydrophobicContact CB-CG1 4.09Å; W794-V810 HydrophobicContact CB-CG2 4.32Å; W794-V810 HydrophobicContact CE3-CG2 3.9Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 2.94Å; D808-V810 VanDerWaalsContact C-N 3.26Å; D808-V810 PolarHBondContact O-N 3.26Å; V810-G812 PolarHBondContact O-N 3.12Å; V810-V813 WeakPolarHBondContact CG2-O 3.35Å; V810-V813 WeakPolarHBondContact O-CG2 3.43Å; V810-V813 PolarHBondContact O-N 3.2Å
811	K	97.8	Very high	96.8	Very high	57 Å²	57	49.8 Å²	49.8	25%	0.248	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	40	178.3	-52.6	-70.9	161.2	-166	0	113.6	Y759 D765 R782 R807 D808 R809	Y759-K811 HydrophobicContact CD1-CB 4.32Å; Y759-K811 VanDerWaalsContact CD2-C 3.44Å; Y759-K811 VanDerWaalsContact CD2-O 3.27Å; Y759-K811 WeakPolarHBondContact CD2-O 3.35Å; Y759-K811 HydrophobicContact CE1-CB 4.21Å; Y759-K811 HydrophobicContact CE1-CD 3.92Å; Y759-K811 VanDerWaalsContact CE2-C 3.44Å; D765-K811 HydrophobicContact CB-CB 4.16Å; D765-K811 HydrophobicContact CB-CD 4.16Å; D765-K811 HydrophobicContact CB-CG 3.91Å; D765-K811 VanDerWaalsContact OD1-CB 3.3Å; D765-K811 WeakPolarHBondContact OD1-CB 3.36Å; R782-K811 PolarHBondContact NH2-O 3.05Å; R807-K811 PolarHBondContact O-N 3.36Å; R807-K811 VanDerWaalsContact O-N 3.13Å; D808-K811 WeakPolarHBondContact O-CD 3.39Å; D808-K811 WeakPolarHBondContact O-CE 3.34Å; D808-K811 WeakPolarHBondContact O-CG 3.41Å; D808-K811 PolarHBondContact O-N 3.28Å; D808-K811 PolarHBondContact O-NZ 2.91Å; D808-K811 IonicContact OD1-NZ 3.67Å; D808-K811 PolarHBondContact OD1-NZ 3.29Å; D808-K811 IonicContact OD2-NZ 3.39Å; D808-K811 PolarHBondContact OD2-NZ 3.08Å; R809-K811 VanDerWaalsContact C-N 3.35Å
812	G	95.9	Very high	96.6	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	25	177.2	0	0	0	0	0	116.2	E753 R807 V810	E753-G812 PolarHBondContact N-O 3.41Å; R807-G812 PolarHBondContact O-N 3.43Å; V810-G812 PolarHBondContact O-N 3.12Å
813	V	98	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-83.7	115.8	158.8	-177.4	0	0	0	0	108.1	L752 R790 V810	L752-V813 HydrophobicContact CD2-CG2 3.76Å; R790-V813 HydrophobicContact CB-CB 4.02Å; R790-V813 HydrophobicContact CB-CG1 4.23Å; R790-V813 HydrophobicContact CB-CG2 3.98Å; V810-V813 WeakPolarHBondContact CG2-O 3.35Å; V810-V813 WeakPolarHBondContact O-CG2 3.43Å; V810-V813 PolarHBondContact O-N 3.2Å
814	S	95.9	Very high	96.5	Very high	46 Å²	46	44.2 Å²	44.2	32%	0.322	22%	0.222	S	C	.	.			trans	-136.1	-8.1	-174.7	59.3	0	0	0	0	115.1	G751 W794	G751-S814 PolarHBondContact O-N 3Å; W794-S814 PolarHBondContact NE1-O 2.99Å
815	A	96.4	Very high	96.4	Very high	45 Å²	45	38.5 Å²	38.5	37%	0.372	19%	0.192	S	C	.	.	S	Bend	trans	-121.1	166.3	167.3	0	0	0	0	0	110	G751 Y791	G751-A815 WeakPolarHBondContact CA-O 3.41Å; G751-A815 PolarHBondContact O-N 2.97Å; Y791-A815 VanDerWaalsContact CD2-O 3.24Å; Y791-A815 WeakPolarHBondContact CD2-O 3.28Å
816	K	97.5	Very high	96.4	Very high	99 Å²	99	33.6 Å²	33.6	43%	0.43	17%	0.169	S	C	.	.			trans	-84.1	127	-176.9	-167	164.6	-174.4	148.2	0	110.7	L788 Y791 E792	L788-K816 HydrophobicContact CD2-CG 4.07Å; Y791-K816 HydrophobicContact CD1-CB 3.7Å; Y791-K816 HydrophobicContact CD1-CD 3.79Å; Y791-K816 HydrophobicContact CD1-CG 3.62Å; Y791-K816 HydrophobicContact CD2-CB 4.09Å; Y791-K816 HydrophobicContact CE1-CB 3.65Å; Y791-K816 HydrophobicContact CE1-CD 3.69Å; Y791-K816 HydrophobicContact CE1-CG 3.85Å; Y791-K816 HydrophobicContact CE2-CB 4.04Å; Y791-K816 HydrophobicContact CG-CB 3.91Å; Y791-K816 HydrophobicContact CG-CG 4.12Å; E792-K816 IonicContact OE1-NZ 3.26Å; E792-K816 PolarHBondContact OE1-NZ 3.38Å
817	P	96.5	Very high	96.3	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.039	17%	0.167	C	C	.	.			trans	-56.4	140.7	167.5	-22.7	31.2	0	0	0	111.7	M749 H784 N787 L788	M749-P817 WeakPolarHBondContact O-CA 3.47Å; H784-P817 WeakPolarHBondContact CE1-CB 3.33Å; N787-P817 HydrophobicContact CB-CG 3.46Å; N787-P817 VanDerWaalsContact CB-CG 3.46Å; L788-P817 HydrophobicContact CD2-CB 4.1Å; L788-P817 HydrophobicContact CD2-CG 4.21Å; L788-P817 HydrophobicContact CG-CB 4.21Å; L788-P817 HydrophobicContact CG-CG 4.18Å
818	F	93.8	Very high	96.2	Very high	43 Å²	43	31.2 Å²	31.2	19%	0.189	16%	0.16	C	C	.	.			trans	-130.1	-23.3	176.6	87	-89.9	0	0	0	114.6	H699 T703 L706 V710 M749	H699-F818 AromaticContact CE1-CD1 3.94Å; H699-F818 AromaticContact CE1-CE1 3.96Å; T703-F818 HydrophobicContact CG2-CD1 3.65Å; T703-F818 HydrophobicContact CG2-CD2 4.03Å; T703-F818 HydrophobicContact CG2-CE1 3.63Å; T703-F818 HydrophobicContact CG2-CE2 4.04Å; T703-F818 HydrophobicContact CG2-CG 3.84Å; T703-F818 HydrophobicContact CG2-CZ 3.84Å; L706-F818 HydrophobicContact CB-CE2 4.17Å; L706-F818 HydrophobicContact CD1-CE2 4.48Å; L706-F818 HydrophobicContact CD1-CZ 4.34Å; V710-F818 HydrophobicContact CG2-CD2 4.38Å; V710-F818 HydrophobicContact CG2-CE2 4.43Å; M749-F818 HydrophobicContact CB-CE1 4Å; M749-F818 HydrophobicContact CG-CE1 3.76Å; M749-F818 HydrophobicContact CG-CZ 4.02Å; M749-F818 PolarHBondContact O-N 2.94Å; M749-F818 VanDerWaalsContact O-N 3.11Å
819	L	93.7	Very high	96.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	-126.7	117.1	173.7	174.3	58.6	0	0	0	109.4	F654 V710 M749 T821	F654-L819 HydrophobicContact CE2-CD2 4.12Å; V710-L819 HydrophobicContact CG1-CD1 4.26Å; V710-L819 HydrophobicContact CG2-CB 4.4Å; V710-L819 HydrophobicContact CG2-CD1 4.02Å; M749-L819 HydrophobicContact CB-CB 4.43Å; M749-L819 HydrophobicContact CE-CD2 4.1Å; M749-L819 HydrophobicContact SD-CB 4.45Å; M749-L819 HydrophobicContact SD-CD2 3.77Å; L819-T821 PolarHBondContact O-N 3.37Å
820	E	94.8	Very high	96.1	Very high	48 Å²	48	23.6 Å²	23.6	22%	0.224	13%	0.127	C	C	.	.			trans	-58.8	114.2	173.2	-179.5	-153.3	126.4	0	0	111.9	R713 K717 H784	R713-E820 IonicContact CZ-OE1 2.88Å; R713-E820 IonicContact CZ-OE2 2.65Å; R713-E820 IonicContact NH1-OE1 3.38Å; R713-E820 IonicContact NH1-OE2 3.54Å; R713-E820 PolarHBondContact NH1-OE2 3.35Å; R713-E820 IonicContact NH2-OE1 3.47Å; R713-E820 PolarHBondContact NH2-OE1 2.96Å; R713-E820 IonicContact NH2-OE2 2.76Å; R713-E820 PolarHBondContact NH2-OE2 3.09Å; K717-E820 IonicContact NZ-OE1 3.44Å; K717-E820 PolarHBondContact NZ-OE1 2.93Å; K717-E820 IonicContact NZ-OE2 3.55Å; K717-E820 PolarHBondContact NZ-OE2 3.06Å; H784-E820 HydrophobicContact CB-CB 4.41Å; H784-E820 HydrophobicContact CB-CG 4.07Å; H784-E820 PolarHBondContact CE1-N 3.06Å
821	T	94.8	Very high	96	Very high	12 Å²	12	23.7 Å²	23.7	7%	0.074	13%	0.128	C	C	.	.			trans	-103.5	150.4	171.7	68.4	0	0	0	0	110.8	Y741 M749 E750 L819	Y741-T821 HydrophobicContact CD2-CG2 3.79Å; Y741-T821 HydrophobicContact CE2-CG2 3.77Å; M749-T821 HydrophobicContact CE-CG2 3.64Å; E750-T821 HydrophobicContact CG-CG2 4.14Å; E750-T821 VanDerWaalsContact CG-OG1 3.29Å; E750-T821 WeakPolarHBondContact CG-OG1 3.39Å; E750-T821 WeakPolarHBondContact OE1-CB 3.22Å; E750-T821 PolarHBondContact OE1-N 2.91Å; E750-T821 PolarHBondContact OE1-OG1 3.43Å; L819-T821 PolarHBondContact O-N 3.37Å
822	Q	95.1	Very high	96	Very high	36 Å²	36	22.2 Å²	22.2	17%	0.168	12%	0.122	C	C	.	.			trans	-81	132	173.3	-165	-177.3	1.7	0	0	109.1	R737 G738 T739 T824 D984	R737-Q822 VanDerWaalsContact CD-OE1 3.3Å; G738-Q822 PolarHBondContact O-N 3.28Å; T739-Q822 HydrophobicContact CG2-CB 4.14Å; Q822-T824 VanDerWaalsContact C-N 3.32Å; Q822-T824 PolarHBondContact O-N 3.13Å; Q822-D984 PolarHBondContact NE2-OD1 3.25Å; Q822-D984 PolarHBondContact NE2-OD2 3.15Å
823	P	96.1	Very high	96	Very high	35 Å²	35	23.1 Å²	23.1	23%	0.227	13%	0.131	C	C	.	.	S	Bend	trans	-69.8	86	178.8	26	-33.2	0	0	0	111.2	L763 I780 R983	L763-P823 HydrophobicContact CD2-CB 3.7Å; I780-P823 HydrophobicContact CG2-CB 4.09Å; I780-P823 HydrophobicContact CG2-CG 4.47Å; P823-R983 PolarHBondContact O-NH1 3.07Å; P823-R983 PolarHBondContact O-NH2 3.26Å
824	T	96.9	Very high	96	Very high	16 Å²	16	23.2 Å²	23.2	10%	0.098	13%	0.132	C	C	.	.			trans	-140.7	-171.3	-176.6	-162.8	0	0	0	0	112	T739 Q822 I980	T739-T824 HydrophobicContact CG2-CG2 3.83Å; Q822-T824 VanDerWaalsContact C-N 3.32Å; Q822-T824 PolarHBondContact O-N 3.13Å; T824-I980 VanDerWaalsContact OG1-CG2 3.28Å; T824-I980 WeakPolarHBondContact OG1-CG2 3.49Å
825	L	95.3	Very high	96.1	Very high	4 Å²	4	21 Å²	21	2%	0.021	12%	0.117	C	C	.	.			trans	-124.4	129.1	-179.3	168	137.9	0	0	0	111.7	A827 C830 Y969 K972 I980 I987	L825-A827 PolarHBondContact O-N 2.74Å; L825-C830 HydrophobicContact CD1-CB 4.14Å; L825-C830 HydrophobicContact CD2-CB 3.78Å; L825-C830 HydrophobicContact CG-CB 4.16Å; L825-Y969 HydrophobicContact CD1-CD1 4.45Å; L825-K972 HydrophobicContact CD1-CB 3.58Å; L825-K972 HydrophobicContact CD1-CD 4.3Å; L825-I980 HydrophobicContact CB-CD1 4.22Å; L825-I987 HydrophobicContact CD2-CG2 3.8Å; L825-I987 VanDerWaalsContact O-CG2 3.23Å; L825-I987 WeakPolarHBondContact O-CG2 3.4Å
826	D	96.9	Very high	96.1	Very high	10 Å²	10	21 Å²	21	5%	0.053	11%	0.112	C	C	.	.			trans	-72.6	116.7	168.3	175.3	44	0	0	0	111.6	L828 H829 C830 S992	D826-L828 VanDerWaalsContact C-N 3.28Å; D826-L828 PolarHBondContact O-N 3.48Å; D826-L828 PolarHBondContact OD1-N 2.8Å; D826-H829 WeakPolarHBondContact OD2-CB 3.36Å; D826-H829 IonicContact OD2-CE1 2.93Å; D826-H829 IonicContact OD2-CG 2.79Å; D826-H829 PolarHBondContact OD2-N 3.22Å; D826-H829 IonicContact OD2-ND1 2.68Å; D826-H829 PolarHBondContact OD2-ND1 3.43Å; D826-C830 WeakPolarHBondContact O-CB 3.37Å; D826-C830 PolarHBondContact O-N 3.03Å; D826-S992 WeakPolarHBondContact OD1-CB 3.29Å; D826-S992 PolarHBondContact OD1-N 3.22Å; D826-S992 PolarHBondContact OD1-OG 3.42Å; D826-S992 PolarHBondContact OD2-OG 3.49Å
827	A	96.8	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-25.5	-178	0	0	0	0	0	113.7	L825 D831 W927 I987 A991	L825-A827 PolarHBondContact O-N 2.74Å; A827-D831 PolarHBondContact O-N 3.14Å; A827-W927 WeakPolarHBondContact CB-O 3.5Å; A827-I987 HydrophobicContact CB-CG2 4.19Å; A827-A991 HydrophobicContact CB-CB 3.75Å
828	L	95.3	Very high	96.2	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.058	9%	0.092	C	C	.	.	H	α-helix	trans	-77	-51.2	180	175.7	59.9	0	0	0	111.7	D826 C830 D831 I832 E993 E996	D826-L828 VanDerWaalsContact C-N 3.28Å; D826-L828 PolarHBondContact O-N 3.48Å; D826-L828 PolarHBondContact OD1-N 2.8Å; L828-C830 VanDerWaalsContact C-N 3.31Å; L828-D831 WeakPolarHBondContact O-CB 3.26Å; L828-D831 PolarHBondContact O-N 2.99Å; L828-I832 HydrophobicContact CD1-CD1 3.96Å; L828-I832 HydrophobicContact CD1-CG1 4.48Å; L828-I832 HydrophobicContact CG-CD1 4.1Å; L828-I832 WeakPolarHBondContact O-CG1 3.33Å; L828-I832 PolarHBondContact O-N 2.97Å; L828-E993 HydrophobicContact CB-CB 4.3Å; L828-E993 HydrophobicContact CD1-CG 4.44Å; L828-E993 HydrophobicContact CD2-CB 4.1Å; L828-E993 HydrophobicContact CD2-CG 4.27Å; L828-E996 HydrophobicContact CD2-CB 3.94Å; L828-E996 HydrophobicContact CD2-CG 4.06Å
829	H	95.8	Very high	96.4	Very high	22 Å²	22	16.3 Å²	16.3	10%	0.102	9%	0.09	C	C	.	.	H	α-helix	trans	-71.3	-27.6	177.7	-72.9	89.9	0	0	0	112.5	D826 I832 G833 Y969	D826-H829 WeakPolarHBondContact OD2-CB 3.36Å; D826-H829 IonicContact OD2-CE1 2.93Å; D826-H829 IonicContact OD2-CG 2.79Å; D826-H829 PolarHBondContact OD2-N 3.22Å; D826-H829 IonicContact OD2-ND1 2.68Å; D826-H829 PolarHBondContact OD2-ND1 3.43Å; H829-I832 PolarHBondContact O-N 3.4Å; H829-G833 PolarHBondContact O-N 2.91Å; H829-Y969 HydrophobicContact CB-CE1 4.16Å; H829-Y969 HydrophobicContact CB-CE2 4.35Å; H829-Y969 VanDerWaalsContact CB-OH 3.25Å; H829-Y969 WeakPolarHBondContact CB-OH 3.44Å
830	C	97.1	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-51.9	165.5	179.3	0	0	0	0	112	L825 D826 L828 I832 G833 N834 Y969 T973	L825-C830 HydrophobicContact CD1-CB 4.14Å; L825-C830 HydrophobicContact CD2-CB 3.78Å; L825-C830 HydrophobicContact CG-CB 4.16Å; D826-C830 WeakPolarHBondContact O-CB 3.37Å; D826-C830 PolarHBondContact O-N 3.03Å; L828-C830 VanDerWaalsContact C-N 3.31Å; C830-I832 VanDerWaalsContact C-N 3.31Å; C830-I832 PolarHBondContact O-N 3.1Å; C830-G833 PolarHBondContact O-N 3.21Å; C830-N834 WeakPolarHBondContact O-CB 3.35Å; C830-N834 PolarHBondContact O-N 3.19Å; C830-N834 PolarHBondContact SG-ND2 3.03Å; C830-N834 VanDerWaalsContact SG-ND2 3.38Å; C830-Y969 HydrophobicContact CB-CD1 3.89Å; C830-Y969 HydrophobicContact CB-CE1 4.37Å; C830-T973 PolarHBondContact SG-OG1 3.18Å; C830-T973 VanDerWaalsContact SG-OG1 3.39Å
831	D	96.4	Very high	96.7	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-56.5	-43	176.2	-93.3	5.6	0	0	0	112.6	A827 L828 A835 K924 R928	A827-D831 PolarHBondContact O-N 3.14Å; L828-D831 WeakPolarHBondContact O-CB 3.26Å; L828-D831 PolarHBondContact O-N 2.99Å; D831-A835 WeakPolarHBondContact O-CB 3.45Å; D831-A835 PolarHBondContact O-N 3.21Å; D831-A835 VanDerWaalsContact O-N 3.1Å; D831-K924 IonicContact OD1-NZ 2.69Å; D831-K924 PolarHBondContact OD1-NZ 3.21Å; D831-K924 IonicContact OD2-NZ 3.97Å; D831-K924 PolarHBondContact OD2-NZ 3.43Å; D831-R928 IonicContact OD1-NE 3.38Å; D831-R928 IonicContact OD2-CZ 2.83Å; D831-R928 IonicContact OD2-NE 2.64Å; D831-R928 PolarHBondContact OD2-NE 3.06Å; D831-R928 IonicContact OD2-NH2 3.38Å; D831-R928 PolarHBondContact OD2-NH2 3.38Å
832	I	96.8	Very high	96.8	Very high	25 Å²	25	17.1 Å²	17.1	13%	0.128	9%	0.092	C	C	.	.	H	α-helix	trans	-71.3	-41.9	-179.1	-66.5	169	0	0	0	110.9	L828 H829 C830 T836 M883	L828-I832 HydrophobicContact CD1-CD1 3.96Å; L828-I832 HydrophobicContact CD1-CG1 4.48Å; L828-I832 HydrophobicContact CG-CD1 4.1Å; L828-I832 WeakPolarHBondContact O-CG1 3.33Å; L828-I832 PolarHBondContact O-N 2.97Å; H829-I832 PolarHBondContact O-N 3.4Å; C830-I832 VanDerWaalsContact C-N 3.31Å; C830-I832 PolarHBondContact O-N 3.1Å; I832-T836 VanDerWaalsContact O-CB 3.26Å; I832-T836 WeakPolarHBondContact O-CB 3.38Å; I832-T836 PolarHBondContact O-N 3.14Å; I832-T836 PolarHBondContact O-OG1 2.94Å; I832-M883 HydrophobicContact CG2-CB 3.96Å; I832-M883 HydrophobicContact CG2-CG 3.98Å
833	G	96.6	Very high	96.9	Very high	22 Å²	22	16.1 Å²	16.1	23%	0.227	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-52.5	179	0	0	0	0	0	112.1	H829 C830 A835 T836 E837	H829-G833 PolarHBondContact O-N 2.91Å; C830-G833 PolarHBondContact O-N 3.21Å; G833-A835 PolarHBondContact O-N 3.17Å; G833-T836 WeakPolarHBondContact O-CB 3.25Å; G833-T836 PolarHBondContact O-N 2.93Å; G833-T836 VanDerWaalsContact O-N 3.15Å; G833-E837 PolarHBondContact O-N 3.17Å
834	N	97.7	Very high	96.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	8%	0.08	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.7	-70.6	-13.2	0	0	0	111.2	C830 T836 E837 F838 Y920 T973	C830-N834 WeakPolarHBondContact O-CB 3.35Å; C830-N834 PolarHBondContact O-N 3.19Å; C830-N834 PolarHBondContact SG-ND2 3.03Å; C830-N834 VanDerWaalsContact SG-ND2 3.38Å; N834-T836 VanDerWaalsContact C-N 3.28Å; N834-T836 PolarHBondContact O-N 3.29Å; N834-E837 PolarHBondContact O-N 3.14Å; N834-E837 VanDerWaalsContact O-N 3.08Å; N834-F838 WeakPolarHBondContact O-CD2 3.43Å; N834-F838 PolarHBondContact O-N 3.41Å; N834-Y920 HydrophobicContact CB-CE2 3.94Å; N834-Y920 VanDerWaalsContact CB-OH 3.31Å; N834-Y920 WeakPolarHBondContact CB-OH 3.3Å; N834-T973 PolarHBondContact ND2-OG1 3.22Å
835	A	97.9	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-33.2	175.1	0	0	0	0	0	113.3	D831 G833 E837 Y839 M883 A888 M892	D831-A835 WeakPolarHBondContact O-CB 3.45Å; D831-A835 PolarHBondContact O-N 3.21Å; D831-A835 VanDerWaalsContact O-N 3.1Å; G833-A835 PolarHBondContact O-N 3.17Å; A835-E837 VanDerWaalsContact C-N 3.31Å; A835-Y839 WeakPolarHBondContact O-CB 3.23Å; A835-Y839 PolarHBondContact O-N 3.07Å; A835-M883 HydrophobicContact CB-CE 4.36Å; A835-A888 HydrophobicContact CB-CB 3.54Å; A835-M892 HydrophobicContact CB-CE 3.96Å; A835-M892 HydrophobicContact CB-CG 3.77Å; A835-M892 HydrophobicContact CB-SD 3.85Å
836	T	97.4	Very high	96.9	Very high	44 Å²	44	15.2 Å²	15.2	27%	0.27	8%	0.08	S	C	.	.	H	α-helix	trans	-69.9	-30	174.9	-60.5	0	0	0	0	111.8	I832 G833 N834 K840 M883	I832-T836 VanDerWaalsContact O-CB 3.26Å; I832-T836 WeakPolarHBondContact O-CB 3.38Å; I832-T836 PolarHBondContact O-N 3.14Å; I832-T836 PolarHBondContact O-OG1 2.94Å; G833-T836 WeakPolarHBondContact O-CB 3.25Å; G833-T836 PolarHBondContact O-N 2.93Å; G833-T836 VanDerWaalsContact O-N 3.15Å; N834-T836 VanDerWaalsContact C-N 3.28Å; N834-T836 PolarHBondContact O-N 3.29Å; T836-K840 WeakPolarHBondContact O-CE 3.45Å; T836-K840 WeakPolarHBondContact O-CG 3.45Å; T836-K840 PolarHBondContact O-N 3.38Å; T836-M883 VanDerWaalsContact OG1-CB 3.23Å; T836-M883 WeakPolarHBondContact OG1-CB 3.47Å; T836-M883 WeakPolarHBondContact OG1-CG 3.37Å
837	E	97.3	Very high	96.8	Very high	9 Å²	9	15.3 Å²	15.3	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-76.4	-46.8	174.8	-164.8	58.7	-156.4	0	0	111.7	G833 N834 A835 Y839 K840 I841 R961 Y962 T967	G833-E837 PolarHBondContact O-N 3.17Å; N834-E837 PolarHBondContact O-N 3.14Å; N834-E837 VanDerWaalsContact O-N 3.08Å; A835-E837 VanDerWaalsContact C-N 3.31Å; E837-Y839 VanDerWaalsContact C-N 3.28Å; E837-Y839 PolarHBondContact O-N 2.99Å; E837-K840 WeakPolarHBondContact O-CA 3.46Å; E837-K840 WeakPolarHBondContact O-CB 3.42Å; E837-K840 PolarHBondContact O-N 3.32Å; E837-K840 WeakPolarHBondContact OE2-CD 3.35Å; E837-K840 WeakPolarHBondContact OE2-CE 3.49Å; E837-K840 IonicContact OE2-NZ 3.57Å; E837-K840 PolarHBondContact OE2-NZ 3.25Å; E837-I841 PolarHBondContact O-N 2.97Å; E837-R961 IonicContact OE1-CZ 3.37Å; E837-R961 IonicContact OE1-NE 2.78Å; E837-R961 PolarHBondContact OE1-NE 3.06Å; E837-R961 IonicContact OE1-NH2 2.71Å; E837-R961 PolarHBondContact OE1-NH2 3.44Å; E837-R961 IonicContact OE2-NH2 3.47Å; E837-Y962 WeakPolarHBondContact CG-OH 3.35Å; E837-T967 HydrophobicContact CG-CG2 4.05Å; E837-T967 WeakPolarHBondContact OE2-CG2 3.31Å
838	F	98.1	Very high	96.7	Very high	5 Å²	5	17 Å²	17	2%	0.022	9%	0.091	C	C	.	.	H	α-helix	trans	-55.7	-39.8	171.2	-90.3	-101.2	0	0	0	112.5	N834 K840 I841 F842 M892 L916 M917 Y920 F950	N834-F838 WeakPolarHBondContact O-CD2 3.43Å; N834-F838 PolarHBondContact O-N 3.41Å; F838-K840 PolarHBondContact O-N 2.83Å; F838-I841 PolarHBondContact O-N 2.96Å; F838-I841 VanDerWaalsContact O-N 3.16Å; F838-F842 HydrophobicContact CD1-CE1 4.36Å; F838-F842 HydrophobicContact CD1-CZ 4.19Å; F838-F842 WeakPolarHBondContact O-CD2 2.99Å; F838-F842 WeakPolarHBondContact O-CG 3.46Å; F838-F842 PolarHBondContact O-N 3.46Å; F838-M892 HydrophobicContact CB-CE 3.64Å; F838-M892 HydrophobicContact CB-SD 4.03Å; F838-M892 HydrophobicContact CD2-SD 4.17Å; F838-M892 HydrophobicContact CG-CE 4.16Å; F838-M892 HydrophobicContact CG-SD 4.02Å; F838-L916 HydrophobicContact CE1-CD2 3.86Å; F838-L916 HydrophobicContact CE1-CG 4.06Å; F838-L916 HydrophobicContact CZ-CD2 4.05Å; F838-L916 HydrophobicContact CZ-CG 4Å; F838-M917 HydrophobicContact CD1-CE 3.69Å; F838-M917 HydrophobicContact CE1-CE 3.79Å; F838-Y920 AromaticContact CE2-CD2 3.94Å; F838-Y920 HydrophobicContact CE2-CD2 3.94Å; F838-Y920 HydrophobicContact CE2-CE2 4.33Å; F838-Y920 HydrophobicContact CE2-CG 4.1Å; F838-Y920 HydrophobicContact CZ-CD2 4.22Å; F838-Y920 HydrophobicContact CZ-CG 4Å; F838-F950 HydrophobicContact CE2-CE2 4.49Å; F838-F950 AromaticContact CE2-CZ 3.91Å; F838-F950 HydrophobicContact CE2-CZ 3.91Å; F838-F950 AromaticContact CZ-CE2 3.97Å; F838-F950 HydrophobicContact CZ-CE2 3.97Å; F838-F950 AromaticContact CZ-CZ 3.73Å; F838-F950 HydrophobicContact CZ-CZ 3.73Å
839	Y	97.9	Very high	96.7	Very high	37 Å²	37	16.8 Å²	16.8	15%	0.145	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-26.5	174.4	-177.1	-110.5	0	0	0	113.5	A835 E837 Q843 L867 D868 L871 M883 L891	A835-Y839 WeakPolarHBondContact O-CB 3.23Å; A835-Y839 PolarHBondContact O-N 3.07Å; E837-Y839 VanDerWaalsContact C-N 3.28Å; E837-Y839 PolarHBondContact O-N 2.99Å; Y839-Q843 VanDerWaalsContact CZ-NE2 3.32Å; Y839-Q843 WeakPolarHBondContact O-CG 3.28Å; Y839-Q843 PolarHBondContact O-N 2.96Å; Y839-L867 HydrophobicContact CD2-CD2 3.75Å; Y839-L867 HydrophobicContact CE2-CD2 3.51Å; Y839-L867 HydrophobicContact CE2-CG 4.09Å; Y839-D868 PolarHBondContact OH-OD1 2.96Å; Y839-L871 HydrophobicContact CE2-CD1 4.26Å; Y839-M883 HydrophobicContact CG-CE 4.35Å; Y839-L891 HydrophobicContact CD2-CD2 4.01Å; Y839-L891 HydrophobicContact CG-CD2 4.3Å
840	K	96.7	Very high	96.6	Very high	77 Å²	77	19.1 Å²	19.1	34%	0.335	10%	0.099	S	C	.	.	H	α-helix	trans	-79.2	-41.1	171.2	-61.3	166.4	-152.3	160.1	0	111.6	T836 E837 F838 F842 Q843 D844 R961	T836-K840 WeakPolarHBondContact O-CE 3.45Å; T836-K840 WeakPolarHBondContact O-CG 3.45Å; T836-K840 PolarHBondContact O-N 3.38Å; E837-K840 WeakPolarHBondContact O-CA 3.46Å; E837-K840 WeakPolarHBondContact O-CB 3.42Å; E837-K840 PolarHBondContact O-N 3.32Å; E837-K840 WeakPolarHBondContact OE2-CD 3.35Å; E837-K840 WeakPolarHBondContact OE2-CE 3.49Å; E837-K840 IonicContact OE2-NZ 3.57Å; E837-K840 PolarHBondContact OE2-NZ 3.25Å; F838-K840 PolarHBondContact O-N 2.83Å; K840-F842 VanDerWaalsContact C-N 3.28Å; K840-F842 PolarHBondContact O-N 3.37Å; K840-Q843 WeakPolarHBondContact O-CB 3.48Å; K840-Q843 PolarHBondContact O-N 3.04Å; K840-D844 PolarHBondContact O-N 3.43Å; K840-R961 VanDerWaalsContact CD-NH2 3.29Å
841	I	97.4	Very high	96.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-54.5	-49.1	172.5	-57.9	173.1	0	0	0	109.1	E837 F838 Q843 D844 E845 L913 L916 F958	E837-I841 PolarHBondContact O-N 2.97Å; F838-I841 PolarHBondContact O-N 2.96Å; F838-I841 VanDerWaalsContact O-N 3.16Å; I841-Q843 VanDerWaalsContact C-N 3.28Å; I841-Q843 PolarHBondContact O-N 2.77Å; I841-D844 PolarHBondContact O-N 3.34Å; I841-E845 HydrophobicContact CG2-CG 3.95Å; I841-E845 WeakPolarHBondContact O-CG 3.45Å; I841-E845 PolarHBondContact O-N 3.31Å; I841-L913 HydrophobicContact CG2-CD2 3.89Å; I841-L916 HydrophobicContact CD1-CD2 4.1Å; I841-F958 HydrophobicContact CG2-CD1 3.95Å; I841-F958 HydrophobicContact CG2-CE1 3.56Å; I841-F958 HydrophobicContact CG2-CZ 4.35Å
842	F	97.7	Very high	96	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-35.8	176.3	-61.7	-24.3	0	0	0	113.3	F838 K840 I846 L867 L891 V900 L913 M917	F838-F842 HydrophobicContact CD1-CE1 4.36Å; F838-F842 HydrophobicContact CD1-CZ 4.19Å; F838-F842 WeakPolarHBondContact O-CD2 2.99Å; F838-F842 WeakPolarHBondContact O-CG 3.46Å; F838-F842 PolarHBondContact O-N 3.46Å; K840-F842 VanDerWaalsContact C-N 3.28Å; K840-F842 PolarHBondContact O-N 3.37Å; F842-I846 WeakPolarHBondContact O-CB 3.26Å; F842-I846 WeakPolarHBondContact O-CD1 3.44Å; F842-I846 WeakPolarHBondContact O-CG1 3.44Å; F842-I846 PolarHBondContact O-N 3.29Å; F842-L867 HydrophobicContact CB-CD1 4.31Å; F842-L867 HydrophobicContact CB-CD2 3.98Å; F842-L891 HydrophobicContact CD2-CD1 4.33Å; F842-L891 HydrophobicContact CE2-CD1 4.1Å; F842-L891 HydrophobicContact CE2-CD2 4.45Å; F842-L891 HydrophobicContact CE2-CG 4.13Å; F842-V900 HydrophobicContact CB-CG1 3.88Å; F842-V900 HydrophobicContact CB-CG2 4.33Å; F842-V900 HydrophobicContact CD1-CB 4.41Å; F842-V900 HydrophobicContact CD1-CG1 3.77Å; F842-V900 HydrophobicContact CD1-CG2 4.39Å; F842-V900 HydrophobicContact CD2-CG2 3.88Å; F842-V900 HydrophobicContact CE1-CG1 4.43Å; F842-V900 HydrophobicContact CE2-CG2 4.21Å; F842-V900 HydrophobicContact CG-CB 4.43Å; F842-V900 HydrophobicContact CG-CG1 3.84Å; F842-V900 HydrophobicContact CG-CG2 3.97Å; F842-L913 HydrophobicContact CD1-CD2 4.22Å; F842-L913 HydrophobicContact CE1-CD2 4.18Å; F842-M917 HydrophobicContact CZ-CE 3.97Å
843	Q	96.2	Very high	95.5	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-69.5	-39.8	173.5	-74.4	174	32.8	0	0	112.9	Y839 K840 I841 G847 R864 L867	Y839-Q843 VanDerWaalsContact CZ-NE2 3.32Å; Y839-Q843 WeakPolarHBondContact O-CG 3.28Å; Y839-Q843 PolarHBondContact O-N 2.96Å; K840-Q843 WeakPolarHBondContact O-CB 3.48Å; K840-Q843 PolarHBondContact O-N 3.04Å; I841-Q843 VanDerWaalsContact C-N 3.28Å; I841-Q843 PolarHBondContact O-N 2.77Å; Q843-G847 PolarHBondContact O-N 3.26Å; Q843-R864 HydrophobicContact CG-CB 4.43Å; Q843-L867 HydrophobicContact CG-CD2 3.69Å
844	D	95.7	Very high	95.2	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.08	19%	0.189	C	C	.	.	H	α-helix	trans	-74.4	-34	-177.9	-70.2	-15.1	0	0	0	112.7	K840 I841 G847 E848 V849 Y960 R961	K840-D844 PolarHBondContact O-N 3.43Å; I841-D844 PolarHBondContact O-N 3.34Å; D844-G847 CarbonylContact O-C 3.59Å; D844-G847 PolarHBondContact O-N 3.41Å; D844-E848 PolarHBondContact O-N 2.94Å; D844-E848 VanDerWaalsContact O-N 3.1Å; D844-V849 HydrophobicContact CB-CB 4.09Å; D844-V849 HydrophobicContact CB-CG2 3.88Å; D844-V849 WeakPolarHBondContact O-CG2 3.16Å; D844-V849 PolarHBondContact O-N 3.3Å; D844-Y960 HydrophobicContact CB-CE2 4.12Å; D844-Y960 WeakPolarHBondContact CB-OH 3.22Å; D844-R961 IonicContact OD2-CZ 3.01Å; D844-R961 IonicContact OD2-NH1 2.71Å; D844-R961 PolarHBondContact OD2-NH1 3.28Å
845	E	96.8	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.8	-36.2	177.5	-66.5	-63.6	142.5	0	0	112.3	I841 G847 E848 V904 R909 L913 F958 Y960	I841-E845 HydrophobicContact CG2-CG 3.95Å; I841-E845 WeakPolarHBondContact O-CG 3.45Å; I841-E845 PolarHBondContact O-N 3.31Å; E845-G847 PolarHBondContact O-N 3.39Å; E845-E848 PolarHBondContact O-N 3.25Å; E845-V904 HydrophobicContact CB-CG2 4.05Å; E845-R909 IonicContact OE1-CZ 2.67Å; E845-R909 IonicContact OE1-NE 2.79Å; E845-R909 IonicContact OE1-NH2 3.88Å; E845-R909 PolarHBondContact OE1-NH2 3.4Å; E845-R909 IonicContact OE2-CZ 2.69Å; E845-R909 IonicContact OE2-NE 3.66Å; E845-R909 PolarHBondContact OE2-NE 2.79Å; E845-R909 IonicContact OE2-NH2 2.73Å; E845-R909 PolarHBondContact OE2-NH2 3.2Å; E845-L913 HydrophobicContact CB-CD1 4.14Å; E845-L913 HydrophobicContact CG-CD1 4.1Å; E845-L913 HydrophobicContact CG-CD2 4.23Å; E845-L913 HydrophobicContact CG-CG 4.46Å; E845-F958 HydrophobicContact CG-CE1 4.21Å; E845-F958 VanDerWaalsContact OE1-CE1 3.28Å; E845-F958 WeakPolarHBondContact OE1-CE1 3.37Å; E845-Y960 PolarHBondContact OE1-OH 2.92Å
846	I	96.5	Very high	94.8	Very high	21 Å²	21	40 Å²	40	11%	0.108	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-30.5	169.8	-70.1	168.9	0	0	0	111.1	F842 W863 L867 V900 L903 V904	F842-I846 WeakPolarHBondContact O-CB 3.26Å; F842-I846 WeakPolarHBondContact O-CD1 3.44Å; F842-I846 WeakPolarHBondContact O-CG1 3.44Å; F842-I846 PolarHBondContact O-N 3.29Å; I846-W863 HydrophobicContact CG2-CB 4.05Å; I846-W863 HydrophobicContact CG2-CG 4.4Å; I846-L867 HydrophobicContact CD1-CB 3.85Å; I846-L867 HydrophobicContact CD1-CD1 3.95Å; I846-L867 HydrophobicContact CD1-CG 4.35Å; I846-V900 HydrophobicContact CD1-CG1 4.41Å; I846-L903 HydrophobicContact CD1-CB 3.91Å; I846-L903 HydrophobicContact CD1-CD1 3.58Å; I846-L903 HydrophobicContact CD1-CG 4.42Å; I846-L903 HydrophobicContact CG1-CB 3.72Å; I846-L903 HydrophobicContact CG1-CD1 4.29Å; I846-L903 HydrophobicContact CG2-CB 4.41Å; I846-V904 HydrophobicContact CG1-CG2 4.34Å
847	G	94.9	Very high	94.6	Very high	13 Å²	13	47.4 Å²	47.4	13%	0.134	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.7	177.6	0	0	0	0	0	115.9	Q843 D844 E845 V849 W863	Q843-G847 PolarHBondContact O-N 3.26Å; D844-G847 CarbonylContact O-C 3.59Å; D844-G847 PolarHBondContact O-N 3.41Å; E845-G847 PolarHBondContact O-N 3.39Å; G847-V849 PolarHBondContact O-N 3.08Å; G847-W863 VanDerWaalsContact CA-CD2 3.45Å; G847-W863 WeakPolarHBondContact O-CZ2 3.45Å
848	E	95.5	Very high	94.5	Very high	35 Å²	35	53.9 Å²	53.9	16%	0.164	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.9	47.3	-170.2	-59	-165.3	120.4	0	0	113.2	D844 E845 Y850 K851 N852 P905	D844-E848 PolarHBondContact O-N 2.94Å; D844-E848 VanDerWaalsContact O-N 3.1Å; E845-E848 PolarHBondContact O-N 3.25Å; E848-Y850 HydrophobicContact CB-CE1 4.05Å; E848-Y850 HydrophobicContact CG-CE1 4.25Å; E848-Y850 PolarHBondContact O-N 3.29Å; E848-Y850 PolarHBondContact OE1-OH 2.68Å; E848-K851 HydrophobicContact CB-CD 4.15Å; E848-K851 HydrophobicContact CB-CG 4.29Å; E848-K851 VanDerWaalsContact CD-CE 3.47Å; E848-K851 WeakPolarHBondContact O-CA 3.44Å; E848-K851 WeakPolarHBondContact O-CB 3.24Å; E848-K851 PolarHBondContact O-N 3.02Å; E848-K851 VanDerWaalsContact OE1-CE 3.27Å; E848-K851 WeakPolarHBondContact OE1-CE 3.28Å; E848-K851 IonicContact OE1-NZ 2.67Å; E848-K851 PolarHBondContact OE1-NZ 2.94Å; E848-K851 WeakPolarHBondContact OE2-CE 3.22Å; E848-K851 IonicContact OE2-NZ 2.66Å; E848-K851 PolarHBondContact OE2-NZ 3.1Å; E848-N852 PolarHBondContact O-N 3.15Å; E848-P905 HydrophobicContact CG-CG 4.01Å
849	V	94.8	Very high	94.4	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.9	-175.3	174.6	0	0	0	0	113.2	D844 G847 K851 N852 P853 P855 W863 Y960	D844-V849 HydrophobicContact CB-CB 4.09Å; D844-V849 HydrophobicContact CB-CG2 3.88Å; D844-V849 WeakPolarHBondContact O-CG2 3.16Å; D844-V849 PolarHBondContact O-N 3.3Å; G847-V849 PolarHBondContact O-N 3.08Å; V849-K851 PolarHBondContact O-N 3.4Å; V849-N852 WeakPolarHBondContact CA-O 3.39Å; V849-N852 CarbonylContact O-C 3.29Å; V849-N852 VanDerWaalsContact O-O 3.06Å; V849-P853 WeakPolarHBondContact O-CA 3.27Å; V849-P855 HydrophobicContact CG2-CG 4.26Å; V849-W863 HydrophobicContact CG2-CE3 4.48Å; V849-W863 HydrophobicContact CG2-CH2 3.7Å; V849-W863 HydrophobicContact CG2-CZ3 3.44Å; V849-W863 VanDerWaalsContact CG2-CZ3 3.44Å; V849-Y960 HydrophobicContact CB-CD2 4.41Å; V849-Y960 HydrophobicContact CB-CE2 4.02Å; V849-Y960 HydrophobicContact CG1-CD2 3.96Å; V849-Y960 HydrophobicContact CG1-CE2 3.92Å
850	Y	92.6	Very high	94.2	Very high	70 Å²	70	60.6 Å²	60.6	28%	0.275	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.8	171.4	62.9	-92.3	0	0	0	113.8	E848 R909	E848-Y850 HydrophobicContact CB-CE1 4.05Å; E848-Y850 HydrophobicContact CG-CE1 4.25Å; E848-Y850 PolarHBondContact O-N 3.29Å; E848-Y850 PolarHBondContact OE1-OH 2.68Å; Y850-R909 HydrophobicContact CE1-CG 3.85Å; Y850-R909 WeakPolarHBondContact OH-CG 3.47Å
851	K	92.8	Very high	94.2	Very high	132 Å²	132	63.3 Å²	63.3	57%	0.574	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-43.6	169.6	-56.4	-177.2	-169.8	168	0	111.9	E848 V849 P853	E848-K851 HydrophobicContact CB-CD 4.15Å; E848-K851 HydrophobicContact CB-CG 4.29Å; E848-K851 VanDerWaalsContact CD-CE 3.47Å; E848-K851 WeakPolarHBondContact O-CA 3.44Å; E848-K851 WeakPolarHBondContact O-CB 3.24Å; E848-K851 PolarHBondContact O-N 3.02Å; E848-K851 VanDerWaalsContact OE1-CE 3.27Å; E848-K851 WeakPolarHBondContact OE1-CE 3.28Å; E848-K851 IonicContact OE1-NZ 2.67Å; E848-K851 PolarHBondContact OE1-NZ 2.94Å; E848-K851 WeakPolarHBondContact OE2-CE 3.22Å; E848-K851 IonicContact OE2-NZ 2.66Å; E848-K851 PolarHBondContact OE2-NZ 3.1Å; V849-K851 PolarHBondContact O-N 3.4Å; K851-P853 WeakPolarHBondContact O-CD 3.37Å
852	N	89.6	Confident	94.1	Very high	64 Å²	64	66.9 Å²	66.9	34%	0.342	32%	0.323	S	S	.	.			trans	-111.7	95.2	176	-177.8	6	0	0	0	110.5	E848 V849 N854 P855	E848-N852 PolarHBondContact O-N 3.15Å; V849-N852 WeakPolarHBondContact CA-O 3.39Å; V849-N852 CarbonylContact O-C 3.29Å; V849-N852 VanDerWaalsContact O-O 3.06Å; N852-N854 VanDerWaalsContact C-N 3.31Å; N852-N854 PolarHBondContact O-N 3.17Å; N852-N854 PolarHBondContact OD1-N 3.23Å; N852-P855 WeakPolarHBondContact O-CD 3.24Å
853	P	86.3	Confident	94.1	Very high	89 Å²	89	68.4 Å²	68.4	58%	0.578	33%	0.329	S	S	*	.	S	Bend	trans	-72.2	-21.4	-173.8	28.4	-35.5	0	0	0	114.1	V849 K851 P855	V849-P853 WeakPolarHBondContact O-CA 3.27Å; K851-P853 WeakPolarHBondContact O-CD 3.37Å; P853-P855 VanDerWaalsContact O-CD 3.22Å; P853-P855 WeakPolarHBondContact O-CD 3.25Å
854	N	90.1	Very high	94.1	Very high	146 Å²	146	72.8 Å²	72.8	78%	0.781	35%	0.345	S	S	*	.	S	Bend	trans	-118.9	58	-173.6	-72.7	-28.6	0	0	0	112.8	N852	N852-N854 VanDerWaalsContact C-N 3.31Å; N852-N854 PolarHBondContact O-N 3.17Å; N852-N854 PolarHBondContact OD1-N 3.23Å
855	P	92.7	Very high	94.1	Very high	11 Å²	11	74.9 Å²	74.9	7%	0.071	36%	0.364	C	S	.	.			trans	-73.1	146.1	-179.4	34	-37.5	0	0	0	111.9	V849 N852 P853 E859 R860 W863	V849-P855 HydrophobicContact CG2-CG 4.26Å; N852-P855 WeakPolarHBondContact O-CD 3.24Å; P853-P855 VanDerWaalsContact O-CD 3.22Å; P853-P855 WeakPolarHBondContact O-CD 3.25Å; P855-E859 HydrophobicContact CB-CB 4.4Å; P855-R860 HydrophobicContact CG-CG 4.19Å; P855-W863 HydrophobicContact CB-CH2 3.31Å; P855-W863 HydrophobicContact CB-CZ2 4.12Å; P855-W863 HydrophobicContact CB-CZ3 3.9Å; P855-W863 HydrophobicContact CG-CH2 3.7Å; P855-W863 HydrophobicContact CG-CZ3 3.87Å
856	S	94	Very high	94.2	Very high	50 Å²	50	76.4 Å²	76.4	35%	0.35	38%	0.377	S	S	.	.			trans	-64.5	165.1	-179.8	70.2	0	0	0	0	113.2	E858 E859 R860	S856-E858 PolarHBondContact O-N 3.22Å; S856-E858 PolarHBondContact OG-N 2.99Å; S856-E859 WeakPolarHBondContact CA-OE2 3.34Å; S856-E859 WeakPolarHBondContact CB-OE2 3.46Å; S856-E859 PolarHBondContact N-OE2 2.93Å; S856-E859 WeakPolarHBondContact OG-CG 3.42Å; S856-E859 PolarHBondContact OG-N 3.25Å; S856-E859 VanDerWaalsContact OG-N 3.1Å; S856-E859 PolarHBondContact OG-OE2 2.93Å; S856-R860 PolarHBondContact O-N 2.94Å
857	R	94.4	Very high	94.2	Very high	199 Å²	199	75.5 Å²	75.5	75%	0.751	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13	172.1	-167.5	175.8	178.5	-165.5	2.9	112.7	R861	R857-R861 VanDerWaalsContact O-CG 3.31Å; R857-R861 WeakPolarHBondContact O-CG 3.45Å; R857-R861 PolarHBondContact O-NE 3.22Å
858	E	94.9	Very high	94.3	Very high	145 Å²	145	76.1 Å²	76.1	68%	0.678	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-43.7	-178.3	-56.3	-161.2	154.6	0	0	111.3	S856 R860 R861 S862	S856-E858 PolarHBondContact O-N 3.22Å; S856-E858 PolarHBondContact OG-N 2.99Å; E858-R860 VanDerWaalsContact C-N 3.34Å; E858-R860 PolarHBondContact O-N 3.01Å; E858-R861 WeakPolarHBondContact O-CA 3.37Å; E858-R861 WeakPolarHBondContact O-CB 3.3Å; E858-R861 PolarHBondContact O-N 3.39Å; E858-S862 PolarHBondContact O-N 3.32Å
859	E	94.7	Very high	94.4	Very high	72 Å²	72	82 Å²	82	34%	0.336	40%	0.398	S	S	.	.	H	α-helix	trans	-54.3	-49.3	168.6	-72	158.9	104.8	0	0	111	P855 S856 R861 S862 W863	P855-E859 HydrophobicContact CB-CB 4.4Å; S856-E859 WeakPolarHBondContact CA-OE2 3.34Å; S856-E859 WeakPolarHBondContact CB-OE2 3.46Å; S856-E859 PolarHBondContact N-OE2 2.93Å; S856-E859 WeakPolarHBondContact OG-CG 3.42Å; S856-E859 PolarHBondContact OG-N 3.25Å; S856-E859 VanDerWaalsContact OG-N 3.1Å; S856-E859 PolarHBondContact OG-OE2 2.93Å; E859-R861 PolarHBondContact O-N 3.01Å; E859-S862 WeakPolarHBondContact O-CA 3.41Å; E859-S862 VanDerWaalsContact O-CB 3.32Å; E859-S862 WeakPolarHBondContact O-CB 3.31Å; E859-S862 PolarHBondContact O-N 2.81Å; E859-W863 HydrophobicContact CB-CH2 4.34Å; E859-W863 HydrophobicContact CB-CZ2 3.8Å; E859-W863 VanDerWaalsContact O-CG 3.24Å; E859-W863 PolarHBondContact O-N 2.83Å
860	R	94.7	Very high	94.5	Very high	110 Å²	110	83.2 Å²	83.2	42%	0.415	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-23.7	175.7	-74.9	-177.5	168.6	157	7.3	114.3	P855 S856 E858 W863	P855-R860 HydrophobicContact CG-CG 4.19Å; S856-R860 PolarHBondContact O-N 2.94Å; E858-R860 VanDerWaalsContact C-N 3.34Å; E858-R860 PolarHBondContact O-N 3.01Å; R860-W863 HydrophobicContact CG-CE3 4.04Å; R860-W863 HydrophobicContact CG-CZ3 3.87Å
861	R	95.1	Very high	94.7	Very high	134 Å²	134	80 Å²	80	51%	0.506	39%	0.39	S	S	.	.	H	α-helix	trans	-78.5	-40.3	169.5	-74.5	178.9	-139.8	-171.1	7.6	111.1	R857 E858 E859 R864 A865	R857-R861 VanDerWaalsContact O-CG 3.31Å; R857-R861 WeakPolarHBondContact O-CG 3.45Å; R857-R861 PolarHBondContact O-NE 3.22Å; E858-R861 WeakPolarHBondContact O-CA 3.37Å; E858-R861 WeakPolarHBondContact O-CB 3.3Å; E858-R861 PolarHBondContact O-N 3.39Å; E859-R861 PolarHBondContact O-N 3.01Å; R861-R864 PolarHBondContact O-N 3.35Å; R861-A865 WeakPolarHBondContact O-CB 3.24Å; R861-A865 PolarHBondContact O-N 2.77Å
862	S	96.7	Very high	94.9	Very high	77 Å²	77	80.6 Å²	80.6	54%	0.538	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-49.7	178.8	-167.8	0	0	0	0	111.5	E858 E859 R864 A865 A866	E858-S862 PolarHBondContact O-N 3.32Å; E859-S862 WeakPolarHBondContact O-CA 3.41Å; E859-S862 VanDerWaalsContact O-CB 3.32Å; E859-S862 WeakPolarHBondContact O-CB 3.31Å; E859-S862 PolarHBondContact O-N 2.81Å; S862-R864 PolarHBondContact O-N 3.08Å; S862-A865 PolarHBondContact O-N 2.97Å; S862-A865 VanDerWaalsContact O-N 3.14Å; S862-A866 PolarHBondContact O-N 3.37Å
863	W	96.5	Very high	95.3	Very high	32 Å²	32	84 Å²	84	12%	0.121	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-41	178.6	-50.3	-31.2	0	0	0	112.4	I846 G847 V849 P855 E859 R860 A866 L867	I846-W863 HydrophobicContact CG2-CB 4.05Å; I846-W863 HydrophobicContact CG2-CG 4.4Å; G847-W863 VanDerWaalsContact CA-CD2 3.45Å; G847-W863 WeakPolarHBondContact O-CZ2 3.45Å; V849-W863 HydrophobicContact CG2-CE3 4.48Å; V849-W863 HydrophobicContact CG2-CH2 3.7Å; V849-W863 HydrophobicContact CG2-CZ3 3.44Å; V849-W863 VanDerWaalsContact CG2-CZ3 3.44Å; P855-W863 HydrophobicContact CB-CH2 3.31Å; P855-W863 HydrophobicContact CB-CZ2 4.12Å; P855-W863 HydrophobicContact CB-CZ3 3.9Å; P855-W863 HydrophobicContact CG-CH2 3.7Å; P855-W863 HydrophobicContact CG-CZ3 3.87Å; E859-W863 HydrophobicContact CB-CH2 4.34Å; E859-W863 HydrophobicContact CB-CZ2 3.8Å; E859-W863 VanDerWaalsContact O-CG 3.24Å; E859-W863 PolarHBondContact O-N 2.83Å; R860-W863 HydrophobicContact CG-CE3 4.04Å; R860-W863 HydrophobicContact CG-CZ3 3.87Å; W863-A866 PolarHBondContact O-N 2.93Å; W863-L867 WeakPolarHBondContact O-CB 3.32Å; W863-L867 PolarHBondContact O-N 2.82Å
864	R	96.5	Very high	95.8	Very high	107 Å²	107	84 Å²	84	40%	0.404	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-46.1	172.4	-176.2	174.4	-54.3	140.3	14.6	112.1	Q843 R861 S862 A866 L867 D868	Q843-R864 HydrophobicContact CG-CB 4.43Å; R861-R864 PolarHBondContact O-N 3.35Å; S862-R864 PolarHBondContact O-N 3.08Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 3.16Å; R864-L867 PolarHBondContact O-N 2.91Å; R864-D868 VanDerWaalsContact O-CB 3.27Å; R864-D868 WeakPolarHBondContact O-CB 3.35Å; R864-D868 PolarHBondContact O-N 3.37Å
865	A	96.8	Very high	96	Very high	58 Å²	58	77.4 Å²	77.4	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-34.8	178.1	0	0	0	0	0	112.3	R861 S862 K869	R861-A865 WeakPolarHBondContact O-CB 3.24Å; R861-A865 PolarHBondContact O-N 2.77Å; S862-A865 PolarHBondContact O-N 2.97Å; S862-A865 VanDerWaalsContact O-N 3.14Å; A865-K869 WeakPolarHBondContact O-CB 3.34Å; A865-K869 PolarHBondContact O-N 2.74Å
866	A	97.3	Very high	96.2	Very high	33 Å²	33	83.7 Å²	83.7	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-66.3	-49.2	173.2	0	0	0	0	0	112.2	S862 W863 R864 K869 Q870 L903	S862-A866 PolarHBondContact O-N 3.37Å; W863-A866 PolarHBondContact O-N 2.93Å; R864-A866 VanDerWaalsContact C-N 3.3Å; R864-A866 PolarHBondContact O-N 3.16Å; A866-K869 WeakPolarHBondContact O-CB 3.39Å; A866-K869 PolarHBondContact O-N 3.36Å; A866-Q870 PolarHBondContact O-N 2.99Å; A866-L903 HydrophobicContact CB-CD1 4.27Å
867	L	97.7	Very high	96.2	Very high	1 Å²	1	81.6 Å²	81.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-56.8	-52.8	175	177.5	59.6	0	0	0	111.5	Y839 F842 Q843 I846 W863 R864 K869 Q870 L871 V900	Y839-L867 HydrophobicContact CD2-CD2 3.75Å; Y839-L867 HydrophobicContact CE2-CD2 3.51Å; Y839-L867 HydrophobicContact CE2-CG 4.09Å; F842-L867 HydrophobicContact CB-CD1 4.31Å; F842-L867 HydrophobicContact CB-CD2 3.98Å; Q843-L867 HydrophobicContact CG-CD2 3.69Å; I846-L867 HydrophobicContact CD1-CB 3.85Å; I846-L867 HydrophobicContact CD1-CD1 3.95Å; I846-L867 HydrophobicContact CD1-CG 4.35Å; W863-L867 WeakPolarHBondContact O-CB 3.32Å; W863-L867 PolarHBondContact O-N 2.82Å; R864-L867 PolarHBondContact O-N 2.91Å; L867-K869 PolarHBondContact O-N 2.91Å; L867-Q870 PolarHBondContact O-N 3.28Å; L867-L871 HydrophobicContact CD1-CD1 3.75Å; L867-L871 HydrophobicContact CD1-CG 3.97Å; L867-L871 HydrophobicContact CG-CD1 3.89Å; L867-L871 HydrophobicContact CG-CG 4.44Å; L867-L871 WeakPolarHBondContact O-CB 3.46Å; L867-L871 WeakPolarHBondContact O-CG 3.49Å; L867-L871 PolarHBondContact O-N 3.3Å; L867-V900 HydrophobicContact CD1-CG2 3.64Å
868	D	97.1	Very high	96.2	Very high	27 Å²	27	77.1 Å²	77.1	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-32.9	177.9	-81.4	-12.6	0	0	0	112.9	Y839 R864 R872 P879	Y839-D868 PolarHBondContact OH-OD1 2.96Å; R864-D868 VanDerWaalsContact O-CB 3.27Å; R864-D868 WeakPolarHBondContact O-CB 3.35Å; R864-D868 PolarHBondContact O-N 3.37Å; D868-R872 WeakPolarHBondContact O-CB 3.4Å; D868-R872 PolarHBondContact O-N 3.18Å; D868-P879 HydrophobicContact CB-CB 4.42Å; D868-P879 HydrophobicContact CB-CG 3.56Å; D868-P879 VanDerWaalsContact CG-CG 3.4Å; D868-P879 WeakPolarHBondContact OD2-CB 3.22Å
869	K	97.4	Very high	96.1	Very high	158 Å²	158	72.3 Å²	72.3	69%	0.687	33%	0.334	S	S	*	.	H	α-helix	trans	-70.5	-42.5	176	-177.2	178.7	-179.9	-177.3	0	111.5	A865 A866 L867 K873	A865-K869 WeakPolarHBondContact O-CB 3.34Å; A865-K869 PolarHBondContact O-N 2.74Å; A866-K869 WeakPolarHBondContact O-CB 3.39Å; A866-K869 PolarHBondContact O-N 3.36Å; L867-K869 PolarHBondContact O-N 2.91Å; K869-K873 VanDerWaalsContact O-CB 3.29Å; K869-K873 WeakPolarHBondContact O-CB 3.19Å; K869-K873 PolarHBondContact O-N 3.22Å
870	Q	97.1	Very high	96	Very high	33 Å²	33	71.9 Å²	71.9	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-72.1	-44.9	176.9	-70.7	-73.3	47.9	0	0	112.5	A866 L867 R872 K873 K874 V899 L903	A866-Q870 PolarHBondContact O-N 2.99Å; L867-Q870 PolarHBondContact O-N 3.28Å; Q870-R872 PolarHBondContact O-N 3.5Å; Q870-K873 PolarHBondContact O-N 2.9Å; Q870-K874 PolarHBondContact O-N 2.76Å; Q870-V899 HydrophobicContact CB-CG1 4.25Å; Q870-L903 HydrophobicContact CB-CD1 4.21Å; Q870-L903 HydrophobicContact CG-CD1 3.66Å; Q870-L903 HydrophobicContact CG-CD2 3.81Å; Q870-L903 HydrophobicContact CG-CG 3.81Å
871	L	97.3	Very high	95.6	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-33.4	174.9	-68.3	177.7	0	0	0	111.6	Y839 L867 M875 K876 L877 L891 V899	Y839-L871 HydrophobicContact CE2-CD1 4.26Å; L867-L871 HydrophobicContact CD1-CD1 3.75Å; L867-L871 HydrophobicContact CD1-CG 3.97Å; L867-L871 HydrophobicContact CG-CD1 3.89Å; L867-L871 HydrophobicContact CG-CG 4.44Å; L867-L871 WeakPolarHBondContact O-CB 3.46Å; L867-L871 WeakPolarHBondContact O-CG 3.49Å; L867-L871 PolarHBondContact O-N 3.3Å; L871-M875 HydrophobicContact CD2-CB 4.48Å; L871-M875 HydrophobicContact CD2-CG 3.94Å; L871-M875 CarbonylContact O-C 3.59Å; L871-M875 WeakPolarHBondContact O-CA 3.23Å; L871-M875 WeakPolarHBondContact O-CB 3.44Å; L871-M875 PolarHBondContact O-N 3.32Å; L871-K876 PolarHBondContact O-N 2.95Å; L871-L877 HydrophobicContact CB-CB 4.19Å; L871-L877 HydrophobicContact CD2-CD1 4.4Å; L871-L877 PolarHBondContact O-N 2.84Å; L871-L891 HydrophobicContact CD1-CD1 3.79Å; L871-L891 HydrophobicContact CD2-CD1 4.09Å; L871-V899 HydrophobicContact CD2-CG1 4.39Å
872	R	97.1	Very high	95.3	Very high	145 Å²	145	79.3 Å²	79.3	55%	0.547	38%	0.376	S	S	.	.	H	α-helix	trans	-71.2	-42.8	169.5	-167.9	-172.8	-60.6	-154.8	4.4	112.9	D868 Q870 K876 L877	D868-R872 WeakPolarHBondContact O-CB 3.4Å; D868-R872 PolarHBondContact O-N 3.18Å; Q870-R872 PolarHBondContact O-N 3.5Å; R872-K876 WeakPolarHBondContact O-CA 3.42Å; R872-L877 WeakPolarHBondContact CA-O 3.39Å; R872-L877 WeakPolarHBondContact CB-O 3.46Å; R872-L877 PolarHBondContact N-O 2.78Å
873	K	96.9	Very high	95	Very high	136 Å²	136	76.7 Å²	76.7	59%	0.591	36%	0.356	S	S	*	.	H	α-helix	trans	-64.2	-53.9	-177.3	-174.7	-172.8	-179.9	-172.5	0	111.9	K869 Q870 K876	K869-K873 VanDerWaalsContact O-CB 3.29Å; K869-K873 WeakPolarHBondContact O-CB 3.19Å; K869-K873 PolarHBondContact O-N 3.22Å; Q870-K873 PolarHBondContact O-N 2.9Å; K873-K876 PolarHBondContact O-NZ 3.37Å
874	K	97.1	Very high	94.8	Very high	89 Å²	89	78.3 Å²	78.3	39%	0.387	37%	0.367	S	S	.	.	S	Bend	trans	-90.8	-71.8	-177.1	-64.2	-164.5	173.8	-165.7	0	111.2	Q870 K876 V899 E902	Q870-K874 PolarHBondContact O-N 2.76Å; K874-K876 WeakPolarHBondContact O-CE 3.38Å; K874-K876 PolarHBondContact O-N 3.09Å; K874-V899 HydrophobicContact CB-CG1 3.93Å; K874-V899 HydrophobicContact CB-CG2 3.8Å; K874-V899 HydrophobicContact CD-CG1 4.24Å; K874-V899 HydrophobicContact CD-CG2 3.77Å; K874-V899 HydrophobicContact CG-CG1 4.43Å; K874-V899 HydrophobicContact CG-CG2 4.39Å; K874-E902 WeakPolarHBondContact CE-OE1 3.49Å; K874-E902 VanDerWaalsContact CE-OE2 3.24Å; K874-E902 WeakPolarHBondContact CE-OE2 3.42Å; K874-E902 IonicContact NZ-OE1 2.83Å; K874-E902 PolarHBondContact NZ-OE1 2.74Å; K874-E902 IonicContact NZ-OE2 2.74Å; K874-E902 PolarHBondContact NZ-OE2 2.97Å
875	M	94.8	Very high	94.4	Very high	7 Å²	7	73.7 Å²	73.7	3%	0.034	35%	0.352	C	S	.	.	S	Bend	trans	-65.1	-5.2	-175.4	-54.7	-55.5	-64.1	0	0	115.6	L871 L877 R890 E895 A896 V899	L871-M875 HydrophobicContact CD2-CB 4.48Å; L871-M875 HydrophobicContact CD2-CG 3.94Å; L871-M875 CarbonylContact O-C 3.59Å; L871-M875 WeakPolarHBondContact O-CA 3.23Å; L871-M875 WeakPolarHBondContact O-CB 3.44Å; L871-M875 PolarHBondContact O-N 3.32Å; M875-L877 HydrophobicContact CB-CD1 3.86Å; M875-L877 HydrophobicContact CB-CG 4.07Å; M875-L877 PolarHBondContact O-N 3.11Å; M875-L877 VanDerWaalsContact O-N 3.16Å; M875-R890 PolarHBondContact O-NH1 3.43Å; M875-R890 PolarHBondContact O-NH2 3.26Å; M875-E895 HydrophobicContact CE-CB 4.15Å; M875-E895 VanDerWaalsContact CE-CD 3.5Å; M875-E895 HydrophobicContact CE-CG 3.92Å; M875-E895 WeakPolarHBondContact CE-OE2 3.46Å; M875-E895 HydrophobicContact SD-CB 4.41Å; M875-E895 HydrophobicContact SD-CG 3.75Å; M875-A896 HydrophobicContact CE-CB 3.99Å; M875-A896 HydrophobicContact CG-CB 4.44Å; M875-A896 HydrophobicContact SD-CB 4.39Å; M875-V899 HydrophobicContact CG-CB 4.35Å; M875-V899 HydrophobicContact CG-CG1 4.24Å; M875-V899 HydrophobicContact CG-CG2 4.24Å; M875-V899 HydrophobicContact SD-CB 4.47Å; M875-V899 HydrophobicContact SD-CG2 3.86Å
876	K	95.8	Very high	94.1	Very high	144 Å²	144	75.7 Å²	75.7	63%	0.626	36%	0.355	S	S	*	.			trans	51.1	37.1	-174.1	-44	-53.8	177.2	-170.1	0	112.6	L871 R872 K873 K874 R890	L871-K876 PolarHBondContact O-N 2.95Å; R872-K876 WeakPolarHBondContact O-CA 3.42Å; K873-K876 PolarHBondContact O-NZ 3.37Å; K874-K876 WeakPolarHBondContact O-CE 3.38Å; K874-K876 PolarHBondContact O-N 3.09Å; K876-R890 PolarHBondContact O-NH1 2.92Å
877	L	94.4	Very high	94	Very high	6 Å²	6	74.7 Å²	74.7	3%	0.031	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-90.4	124.6	173.2	-75.8	166.1	0	0	0	109.3	L871 R872 M875 Y887 R890	L871-L877 HydrophobicContact CB-CB 4.19Å; L871-L877 HydrophobicContact CD2-CD1 4.4Å; L871-L877 PolarHBondContact O-N 2.84Å; R872-L877 WeakPolarHBondContact CA-O 3.39Å; R872-L877 WeakPolarHBondContact CB-O 3.46Å; R872-L877 PolarHBondContact N-O 2.78Å; M875-L877 HydrophobicContact CB-CD1 3.86Å; M875-L877 HydrophobicContact CB-CG 4.07Å; M875-L877 PolarHBondContact O-N 3.11Å; M875-L877 VanDerWaalsContact O-N 3.16Å; L877-Y887 HydrophobicContact CB-CE2 4.06Å; L877-Y887 HydrophobicContact CD1-CE1 4.27Å; L877-Y887 HydrophobicContact CD2-CD2 3.93Å; L877-Y887 HydrophobicContact CD2-CE2 4.02Å; L877-Y887 HydrophobicContact CD2-CG 4.19Å; L877-Y887 HydrophobicContact CG-CE2 4.48Å; L877-R890 HydrophobicContact CD1-CB 4.43Å; L877-R890 HydrophobicContact CD2-CB 3.9Å
878	K	94.2	Very high	93.9	Very high	104 Å²	104	74.8 Å²	74.8	45%	0.452	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-91	129.8	171.6	-66.8	-179.7	-175.8	176.4	0	107.6	E40 Y887	E40-K878 WeakPolarHBondContact OE1-CE 3.4Å; E40-K878 IonicContact OE1-NZ 3.42Å; E40-K878 PolarHBondContact OE1-NZ 3.5Å; K878-Y887 WeakPolarHBondContact O-CE2 3.35Å
879	P	92.9	Very high	93.8	Very high	44 Å²	44	78.5 Å²	78.5	29%	0.286	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-55.9	150.3	-179.6	-27.6	36.7	0	0	0	112.9	D868	D868-P879 HydrophobicContact CB-CB 4.42Å; D868-P879 HydrophobicContact CB-CG 3.56Å; D868-P879 VanDerWaalsContact CG-CG 3.4Å; D868-P879 WeakPolarHBondContact OD2-CB 3.22Å
880	V	91.8	Very high	93.7	Very high	64 Å²	64	76.4 Å²	76.4	39%	0.388	34%	0.344	S	S	.	.			trans	-132.8	146.8	-175.8	-66.6	0	0	0	0	110.6	R882 Y887	V880-R882 WeakPolarHBondContact CG2-O 3.26Å; V880-Y887 HydrophobicContact CG1-CD2 4.1Å; V880-Y887 HydrophobicContact CG2-CD2 3.77Å; V880-Y887 HydrophobicContact CG2-CE2 4.11Å; V880-Y887 HydrophobicContact CG2-CG 4.25Å
881	M	88	Confident	93.7	Very high	202 Å²	202	74.8 Å²	74.8	100%	0.995	34%	0.337	S	S	*	.	S	Bend	trans	-74.8	-37.4	179	-66.3	-61.1	-65.1	0	0	112.7
882	R	87.5	Confident	93.7	Very high	198 Å²	198	75.1 Å²	75.1	75%	0.747	34%	0.339	S	S	*	.	S	Bend	trans	-122.3	133.7	170.6	-177.3	170	172.2	164.8	-5	107.9	V880	V880-R882 WeakPolarHBondContact CG2-O 3.26Å
883	M	91.8	Very high	93.8	Very high	22 Å²	22	70 Å²	70	11%	0.108	32%	0.324	C	S	.	.			trans	-59.9	144.6	173.8	-172.2	72	79.9	0	0	109.7	I832 A835 T836 Y839 Y887 A888 L891	I832-M883 HydrophobicContact CG2-CB 3.96Å; I832-M883 HydrophobicContact CG2-CG 3.98Å; A835-M883 HydrophobicContact CB-CE 4.36Å; T836-M883 VanDerWaalsContact OG1-CB 3.23Å; T836-M883 WeakPolarHBondContact OG1-CB 3.47Å; T836-M883 WeakPolarHBondContact OG1-CG 3.37Å; Y839-M883 HydrophobicContact CG-CE 4.35Å; M883-Y887 HydrophobicContact CE-CD1 4.22Å; M883-Y887 HydrophobicContact CE-CE1 4.48Å; M883-Y887 HydrophobicContact SD-CD1 3.4Å; M883-Y887 WeakPolarHBondContact SD-CD1 3.44Å; M883-Y887 HydrophobicContact SD-CE1 4.17Å; M883-Y887 HydrophobicContact SD-CG 3.89Å; M883-A888 HydrophobicContact CG-CB 4.48Å; M883-L891 HydrophobicContact CE-CD2 4.11Å
884	N	90.8	Very high	93.8	Very high	66 Å²	66	66.2 Å²	66.2	35%	0.353	31%	0.309	S	S	.	.			trans	-134.2	160	173	64	71.5	0	0	0	110.2	N886 Y887 A888	N884-N886 PolarHBondContact O-N 3.32Å; N884-N886 VanDerWaalsContact O-N 3.09Å; N884-N886 WeakPolarHBondContact OD1-CB 3.47Å; N884-N886 PolarHBondContact OD1-N 3.35Å; N884-Y887 PolarHBondContact O-N 3.1Å; N884-Y887 PolarHBondContact OD1-N 2.95Å; N884-Y887 VanDerWaalsContact OD1-N 3.09Å; N884-A888 PolarHBondContact O-N 3.48Å
885	G	89.3	Confident	93.8	Very high	10 Å²	10	68.3 Å²	68.3	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-55.1	-31.1	-175.1	0	0	0	0	0	114.8	R889	G885-R889 WeakPolarHBondContact O-CB 3.37Å; G885-R889 WeakPolarHBondContact O-CG 3.5Å; G885-R889 PolarHBondContact O-N 3.44Å
886	N	90.6	Very high	93.9	Very high	100 Å²	100	68 Å²	68	54%	0.535	32%	0.318	S	S	.	.	H	α-helix	trans	-74.6	-31.4	176	-71	-52.7	0	0	0	113.3	N884 R889 R890	N884-N886 PolarHBondContact O-N 3.32Å; N884-N886 VanDerWaalsContact O-N 3.09Å; N884-N886 WeakPolarHBondContact OD1-CB 3.47Å; N884-N886 PolarHBondContact OD1-N 3.35Å; N886-R889 PolarHBondContact OD1-NH1 3.13Å; N886-R889 PolarHBondContact OD1-NH2 2.9Å; N886-R890 VanDerWaalsContact O-CG 3.31Å; N886-R890 WeakPolarHBondContact O-CG 3.35Å
887	Y	94.9	Very high	94	Very high	12 Å²	12	61.1 Å²	61.1	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-73.3	-46.1	170.2	-164.1	-66.2	0	0	0	109.8	L877 K878 V880 M883 N884 R889 R890 L891	L877-Y887 HydrophobicContact CB-CE2 4.06Å; L877-Y887 HydrophobicContact CD1-CE1 4.27Å; L877-Y887 HydrophobicContact CD2-CD2 3.93Å; L877-Y887 HydrophobicContact CD2-CE2 4.02Å; L877-Y887 HydrophobicContact CD2-CG 4.19Å; L877-Y887 HydrophobicContact CG-CE2 4.48Å; K878-Y887 WeakPolarHBondContact O-CE2 3.35Å; V880-Y887 HydrophobicContact CG1-CD2 4.1Å; V880-Y887 HydrophobicContact CG2-CD2 3.77Å; V880-Y887 HydrophobicContact CG2-CE2 4.11Å; V880-Y887 HydrophobicContact CG2-CG 4.25Å; M883-Y887 HydrophobicContact CE-CD1 4.22Å; M883-Y887 HydrophobicContact CE-CE1 4.48Å; M883-Y887 HydrophobicContact SD-CD1 3.4Å; M883-Y887 WeakPolarHBondContact SD-CD1 3.44Å; M883-Y887 HydrophobicContact SD-CE1 4.17Å; M883-Y887 HydrophobicContact SD-CG 3.89Å; N884-Y887 PolarHBondContact O-N 3.1Å; N884-Y887 PolarHBondContact OD1-N 2.95Å; N884-Y887 VanDerWaalsContact OD1-N 3.09Å; Y887-R889 PolarHBondContact O-N 3.36Å; Y887-R890 CarbonylContact O-C 3.51Å; Y887-R890 PolarHBondContact O-N 3.48Å; Y887-L891 HydrophobicContact CD1-CB 4.11Å; Y887-L891 HydrophobicContact CE1-CB 4.08Å; Y887-L891 HydrophobicContact CE1-CD1 4.25Å; Y887-L891 HydrophobicContact CE1-CD2 4.13Å; Y887-L891 HydrophobicContact CE1-CG 4.38Å; Y887-L891 PolarHBondContact O-N 3.24Å
888	A	95.4	Very high	94.1	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-54.6	-51.3	178	0	0	0	0	0	112	A835 M883 N884 R890 L891 M892	A835-A888 HydrophobicContact CB-CB 3.54Å; M883-A888 HydrophobicContact CG-CB 4.48Å; N884-A888 PolarHBondContact O-N 3.48Å; A888-R890 PolarHBondContact O-N 2.86Å; A888-R890 VanDerWaalsContact O-N 3.1Å; A888-L891 PolarHBondContact O-N 3.01Å; A888-L891 VanDerWaalsContact O-N 3.15Å; A888-M892 WeakPolarHBondContact O-CB 3.47Å; A888-M892 WeakPolarHBondContact O-CG 3.35Å; A888-M892 PolarHBondContact O-N 3.21Å
889	R	94.4	Very high	94.3	Very high	106 Å²	106	59.6 Å²	59.6	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-16.4	175.7	-77	-167.5	-101.3	94.7	-5.7	115	G885 N886 Y887 E993	G885-R889 WeakPolarHBondContact O-CB 3.37Å; G885-R889 WeakPolarHBondContact O-CG 3.5Å; G885-R889 PolarHBondContact O-N 3.44Å; N886-R889 PolarHBondContact OD1-NH1 3.13Å; N886-R889 PolarHBondContact OD1-NH2 2.9Å; Y887-R889 PolarHBondContact O-N 3.36Å; R889-E993 IonicContact NH2-OE1 2.62Å; R889-E993 PolarHBondContact NH2-OE1 3.46Å
890	R	96.6	Very high	94.5	Very high	113 Å²	113	57.5 Å²	57.5	43%	0.426	27%	0.27	S	S	.	.	H	α-helix	trans	-103.8	-15.5	177.1	-67.6	-173.9	78.8	-136.6	-4.4	114	M875 K876 L877 N886 Y887 A888	M875-R890 PolarHBondContact O-NH1 3.43Å; M875-R890 PolarHBondContact O-NH2 3.26Å; K876-R890 PolarHBondContact O-NH1 2.92Å; L877-R890 HydrophobicContact CD1-CB 4.43Å; L877-R890 HydrophobicContact CD2-CB 3.9Å; N886-R890 VanDerWaalsContact O-CG 3.31Å; N886-R890 WeakPolarHBondContact O-CG 3.35Å; Y887-R890 CarbonylContact O-C 3.51Å; Y887-R890 PolarHBondContact O-N 3.48Å; A888-R890 PolarHBondContact O-N 2.86Å; A888-R890 VanDerWaalsContact O-N 3.1Å
891	L	97.1	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-92	-34.3	174.2	-173.2	72.2	0	0	0	111.5	Y839 F842 L871 M883 Y887 A888 T893 A896	Y839-L891 HydrophobicContact CD2-CD2 4.01Å; Y839-L891 HydrophobicContact CG-CD2 4.3Å; F842-L891 HydrophobicContact CD2-CD1 4.33Å; F842-L891 HydrophobicContact CE2-CD1 4.1Å; F842-L891 HydrophobicContact CE2-CD2 4.45Å; F842-L891 HydrophobicContact CE2-CG 4.13Å; L871-L891 HydrophobicContact CD1-CD1 3.79Å; L871-L891 HydrophobicContact CD2-CD1 4.09Å; M883-L891 HydrophobicContact CE-CD2 4.11Å; Y887-L891 HydrophobicContact CD1-CB 4.11Å; Y887-L891 HydrophobicContact CE1-CB 4.08Å; Y887-L891 HydrophobicContact CE1-CD1 4.25Å; Y887-L891 HydrophobicContact CE1-CD2 4.13Å; Y887-L891 HydrophobicContact CE1-CG 4.38Å; Y887-L891 PolarHBondContact O-N 3.24Å; A888-L891 PolarHBondContact O-N 3.01Å; A888-L891 VanDerWaalsContact O-N 3.15Å; L891-T893 VanDerWaalsContact C-N 3.25Å; L891-T893 PolarHBondContact O-N 2.86Å; L891-A896 VanDerWaalsContact O-CB 3.25Å; L891-A896 WeakPolarHBondContact O-CB 3.46Å
892	M	97.3	Very high	95.1	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.034	23%	0.225	C	C	.	.	S	Bend	trans	-81.8	69.4	177.6	-58.4	-60.5	88.3	0	0	110.5	A835 F838 A888 M917 Y920 L921	A835-M892 HydrophobicContact CB-CE 3.96Å; A835-M892 HydrophobicContact CB-CG 3.77Å; A835-M892 HydrophobicContact CB-SD 3.85Å; F838-M892 HydrophobicContact CB-CE 3.64Å; F838-M892 HydrophobicContact CB-SD 4.03Å; F838-M892 HydrophobicContact CD2-SD 4.17Å; F838-M892 HydrophobicContact CG-CE 4.16Å; F838-M892 HydrophobicContact CG-SD 4.02Å; A888-M892 WeakPolarHBondContact O-CB 3.47Å; A888-M892 WeakPolarHBondContact O-CG 3.35Å; A888-M892 PolarHBondContact O-N 3.21Å; M892-M917 HydrophobicContact CE-CE 4Å; M892-M917 HydrophobicContact SD-CE 4.13Å; M892-Y920 HydrophobicContact CB-CD1 4.43Å; M892-Y920 HydrophobicContact CB-CE1 3.95Å; M892-Y920 HydrophobicContact CG-CE1 3.77Å; M892-Y920 HydrophobicContact SD-CD1 4.22Å; M892-Y920 HydrophobicContact SD-CE1 3.73Å; M892-L921 WeakPolarHBondContact O-CD2 3.22Å
893	T	97.6	Very high	95.6	Very high	38 Å²	38	42.1 Å²	42.1	23%	0.233	20%	0.201	C	C	.	.	S	Bend	trans	-144.3	158.7	174	70.4	0	0	0	0	111	L891 E895 A896 T897	L891-T893 VanDerWaalsContact C-N 3.25Å; L891-T893 PolarHBondContact O-N 2.86Å; T893-E895 VanDerWaalsContact C-N 3.34Å; T893-A896 PolarHBondContact O-N 3.01Å; T893-A896 WeakPolarHBondContact OG1-CB 3.21Å; T893-A896 PolarHBondContact OG1-N 3.28Å; T893-T897 PolarHBondContact O-N 3.18Å; T893-T897 VanDerWaalsContact O-N 3.15Å; T893-T897 PolarHBondContact O-OG1 2.95Å
894	M	97.9	Very high	95.8	Very high	57 Å²	57	41.1 Å²	41.1	28%	0.281	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-41.6	170.8	-65.1	-53.6	-58.8	0	0	111.4	A896 T897 E898 R914 M917 R918 L921	M894-A896 PolarHBondContact O-N 3.24Å; M894-T897 CarbonylContact O-C 3.54Å; M894-T897 WeakPolarHBondContact O-CA 3.11Å; M894-T897 WeakPolarHBondContact O-CB 3.46Å; M894-T897 PolarHBondContact O-N 2.82Å; M894-E898 PolarHBondContact O-N 3.29Å; M894-R914 HydrophobicContact CE-CB 3.98Å; M894-R914 HydrophobicContact CE-CG 4.13Å; M894-M917 HydrophobicContact SD-CB 3.96Å; M894-M917 HydrophobicContact SD-CG 3.68Å; M894-R918 HydrophobicContact SD-CB 4.29Å; M894-L921 HydrophobicContact CG-CD1 3.72Å; M894-L921 HydrophobicContact SD-CD1 3.88Å
895	E	97	Very high	96	Very high	132 Å²	132	41.5 Å²	41.5	62%	0.617	20%	0.202	S	C	*	.	H	α-helix	trans	-55.4	-47.8	177	-170.7	-162.3	174.7	0	0	111.7	M875 T893 T897 E898 V899	M875-E895 HydrophobicContact CE-CB 4.15Å; M875-E895 VanDerWaalsContact CE-CD 3.5Å; M875-E895 HydrophobicContact CE-CG 3.92Å; M875-E895 WeakPolarHBondContact CE-OE2 3.46Å; M875-E895 HydrophobicContact SD-CB 4.41Å; M875-E895 HydrophobicContact SD-CG 3.75Å; T893-E895 VanDerWaalsContact C-N 3.34Å; E895-T897 VanDerWaalsContact C-N 3.26Å; E895-T897 PolarHBondContact O-N 3.08Å; E895-E898 PolarHBondContact O-N 2.92Å; E895-V899 WeakPolarHBondContact O-CG2 3.19Å; E895-V899 PolarHBondContact O-N 3.48Å
896	A	97	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-33.8	176.3	0	0	0	0	0	112.2	M875 L891 T893 M894 V899 V900	M875-A896 HydrophobicContact CE-CB 3.99Å; M875-A896 HydrophobicContact CG-CB 4.44Å; M875-A896 HydrophobicContact SD-CB 4.39Å; L891-A896 VanDerWaalsContact O-CB 3.25Å; L891-A896 WeakPolarHBondContact O-CB 3.46Å; T893-A896 PolarHBondContact O-N 3.01Å; T893-A896 WeakPolarHBondContact OG1-CB 3.21Å; T893-A896 PolarHBondContact OG1-N 3.28Å; M894-A896 PolarHBondContact O-N 3.24Å; A896-V899 PolarHBondContact O-N 3.01Å; A896-V900 WeakPolarHBondContact O-CG2 3.47Å; A896-V900 PolarHBondContact O-N 2.63Å; A896-V900 VanDerWaalsContact O-N 3.16Å
897	T	97.3	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.9	-40.1	-179.9	-55	0	0	0	0	111.8	T893 M894 E895 V899 V900 C901 L913 M917	T893-T897 PolarHBondContact O-N 3.18Å; T893-T897 VanDerWaalsContact O-N 3.15Å; T893-T897 PolarHBondContact O-OG1 2.95Å; M894-T897 CarbonylContact O-C 3.54Å; M894-T897 WeakPolarHBondContact O-CA 3.11Å; M894-T897 WeakPolarHBondContact O-CB 3.46Å; M894-T897 PolarHBondContact O-N 2.82Å; E895-T897 VanDerWaalsContact C-N 3.26Å; E895-T897 PolarHBondContact O-N 3.08Å; T897-V899 VanDerWaalsContact C-N 3.33Å; T897-V899 PolarHBondContact O-N 2.79Å; T897-V900 WeakPolarHBondContact O-CB 3.43Å; T897-V900 PolarHBondContact O-N 3.37Å; T897-V900 VanDerWaalsContact O-N 3.12Å; T897-C901 PolarHBondContact O-N 3.32Å; T897-C901 PolarHBondContact O-SG 2.83Å; T897-L913 HydrophobicContact CG2-CB 4.32Å; T897-M917 HydrophobicContact CG2-CB 4.2Å; T897-M917 WeakPolarHBondContact OG1-CE 3.4Å; T897-M917 WeakPolarHBondContact OG1-CG 3.47Å
898	E	97.3	Very high	96.6	Very high	69 Å²	69	50 Å²	50	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-40.5	172.1	-62.5	-51.1	145.4	0	0	111.8	M894 E895 V900 C901 E902 R914	M894-E898 PolarHBondContact O-N 3.29Å; E895-E898 PolarHBondContact O-N 2.92Å; E898-V900 PolarHBondContact O-N 3.03Å; E898-C901 WeakPolarHBondContact O-CB 3.33Å; E898-C901 PolarHBondContact O-N 3.42Å; E898-C901 VanDerWaalsContact O-N 3.08Å; E898-E902 PolarHBondContact O-N 3.38Å; E898-E902 VanDerWaalsContact O-N 3.14Å; E898-R914 WeakPolarHBondContact OE1-CD 3.26Å; E898-R914 WeakPolarHBondContact OE1-CG 3.46Å; E898-R914 IonicContact OE1-CZ 3.98Å; E898-R914 IonicContact OE1-NE 3.21Å; E898-R914 PolarHBondContact OE1-NE 3.09Å; E898-R914 IonicContact OE2-CZ 3.59Å; E898-R914 IonicContact OE2-NE 2.75Å; E898-R914 PolarHBondContact OE2-NE 3.38Å; E898-R914 IonicContact OE2-NH2 2.8Å; E898-R914 PolarHBondContact OE2-NH2 3.45Å
899	V	97.3	Very high	96.6	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-27.6	175	171.7	0	0	0	0	112.5	Q870 L871 K874 M875 E895 A896 T897	Q870-V899 HydrophobicContact CB-CG1 4.25Å; L871-V899 HydrophobicContact CD2-CG1 4.39Å; K874-V899 HydrophobicContact CB-CG1 3.93Å; K874-V899 HydrophobicContact CB-CG2 3.8Å; K874-V899 HydrophobicContact CD-CG1 4.24Å; K874-V899 HydrophobicContact CD-CG2 3.77Å; K874-V899 HydrophobicContact CG-CG1 4.43Å; K874-V899 HydrophobicContact CG-CG2 4.39Å; M875-V899 HydrophobicContact CG-CB 4.35Å; M875-V899 HydrophobicContact CG-CG1 4.24Å; M875-V899 HydrophobicContact CG-CG2 4.24Å; M875-V899 HydrophobicContact SD-CB 4.47Å; M875-V899 HydrophobicContact SD-CG2 3.86Å; E895-V899 WeakPolarHBondContact O-CG2 3.19Å; E895-V899 PolarHBondContact O-N 3.48Å; A896-V899 PolarHBondContact O-N 3.01Å; T897-V899 VanDerWaalsContact C-N 3.33Å; T897-V899 PolarHBondContact O-N 2.79Å
900	V	97.2	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-79.2	-41.1	170.8	172.9	0	0	0	0	111.4	F842 I846 L867 A896 T897 E898 E902 L903 V904	F842-V900 HydrophobicContact CB-CG1 3.88Å; F842-V900 HydrophobicContact CB-CG2 4.33Å; F842-V900 HydrophobicContact CD1-CB 4.41Å; F842-V900 HydrophobicContact CD1-CG1 3.77Å; F842-V900 HydrophobicContact CD1-CG2 4.39Å; F842-V900 HydrophobicContact CD2-CG2 3.88Å; F842-V900 HydrophobicContact CE1-CG1 4.43Å; F842-V900 HydrophobicContact CE2-CG2 4.21Å; F842-V900 HydrophobicContact CG-CB 4.43Å; F842-V900 HydrophobicContact CG-CG1 3.84Å; F842-V900 HydrophobicContact CG-CG2 3.97Å; I846-V900 HydrophobicContact CD1-CG1 4.41Å; L867-V900 HydrophobicContact CD1-CG2 3.64Å; A896-V900 WeakPolarHBondContact O-CG2 3.47Å; A896-V900 PolarHBondContact O-N 2.63Å; A896-V900 VanDerWaalsContact O-N 3.16Å; T897-V900 WeakPolarHBondContact O-CB 3.43Å; T897-V900 PolarHBondContact O-N 3.37Å; T897-V900 VanDerWaalsContact O-N 3.12Å; E898-V900 PolarHBondContact O-N 3.03Å; V900-E902 PolarHBondContact O-N 3.29Å; V900-L903 WeakPolarHBondContact O-CB 3.21Å; V900-L903 PolarHBondContact O-N 2.87Å; V900-V904 HydrophobicContact CG1-CG2 4.35Å; V900-V904 PolarHBondContact O-N 3.21Å
901	C	97.3	Very high	96.7	Very high	3 Å²	3	47 Å²	47	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-34	179.4	-71	0	0	0	0	112.3	T897 E898 L903 V904 R910	T897-C901 PolarHBondContact O-N 3.32Å; T897-C901 PolarHBondContact O-SG 2.83Å; E898-C901 WeakPolarHBondContact O-CB 3.33Å; E898-C901 PolarHBondContact O-N 3.42Å; E898-C901 VanDerWaalsContact O-N 3.08Å; C901-L903 PolarHBondContact O-N 3.14Å; C901-L903 VanDerWaalsContact O-N 3.07Å; C901-V904 PolarHBondContact O-N 2.95Å; C901-R910 HydrophobicContact CB-CB 4.07Å; C901-R910 HydrophobicContact CB-CG 3.71Å; C901-R910 PolarHBondContact O-NE 2.77Å
902	E	96.7	Very high	96.7	Very high	92 Å²	92	48.3 Å²	48.3	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.3	171.1	-73.5	175.6	-118.7	0	0	115.5	K874 E898 V900	K874-E902 WeakPolarHBondContact CE-OE1 3.49Å; K874-E902 VanDerWaalsContact CE-OE2 3.24Å; K874-E902 WeakPolarHBondContact CE-OE2 3.42Å; K874-E902 IonicContact NZ-OE1 2.83Å; K874-E902 PolarHBondContact NZ-OE1 2.74Å; K874-E902 IonicContact NZ-OE2 2.74Å; K874-E902 PolarHBondContact NZ-OE2 2.97Å; E898-E902 PolarHBondContact O-N 3.38Å; E898-E902 VanDerWaalsContact O-N 3.14Å; V900-E902 PolarHBondContact O-N 3.29Å
903	L	96.9	Very high	96.7	Very high	46 Å²	46	48 Å²	48	24%	0.241	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-14.8	174.7	-67.2	-177.4	0	0	0	113.7	I846 A866 Q870 V900 C901	I846-L903 HydrophobicContact CD1-CB 3.91Å; I846-L903 HydrophobicContact CD1-CD1 3.58Å; I846-L903 HydrophobicContact CD1-CG 4.42Å; I846-L903 HydrophobicContact CG1-CB 3.72Å; I846-L903 HydrophobicContact CG1-CD1 4.29Å; I846-L903 HydrophobicContact CG2-CB 4.41Å; A866-L903 HydrophobicContact CB-CD1 4.27Å; Q870-L903 HydrophobicContact CB-CD1 4.21Å; Q870-L903 HydrophobicContact CG-CD1 3.66Å; Q870-L903 HydrophobicContact CG-CD2 3.81Å; Q870-L903 HydrophobicContact CG-CG 3.81Å; V900-L903 WeakPolarHBondContact O-CB 3.21Å; V900-L903 PolarHBondContact O-N 2.87Å; C901-L903 PolarHBondContact O-N 3.14Å; C901-L903 VanDerWaalsContact O-N 3.07Å
904	V	96.9	Very high	96.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.235	C	C	.	.			trans	-84.3	125.5	-178.7	177.1	0	0	0	0	108.8	E845 I846 V900 C901 R909 R910 L913	E845-V904 HydrophobicContact CB-CG2 4.05Å; I846-V904 HydrophobicContact CG1-CG2 4.34Å; V900-V904 HydrophobicContact CG1-CG2 4.35Å; V900-V904 PolarHBondContact O-N 3.21Å; C901-V904 PolarHBondContact O-N 2.95Å; V904-R909 HydrophobicContact CG1-CB 3.8Å; V904-R910 HydrophobicContact CB-CG 4.05Å; V904-R910 HydrophobicContact CG1-CG 4.16Å; V904-R910 VanDerWaalsContact O-CZ 3.27Å; V904-R910 PolarHBondContact O-NE 2.81Å; V904-R910 PolarHBondContact O-NH2 2.79Å; V904-L913 HydrophobicContact CG2-CD1 3.98Å
905	P	94.6	Very high	96.7	Very high	74 Å²	74	47.9 Å²	47.9	48%	0.481	23%	0.232	S	C	.	.	S	Bend	trans	-69.5	-39.4	-174.4	-23.9	35.7	0	0	0	114.9	E848	E848-P905 HydrophobicContact CG-CG 4.01Å
906	S	95.6	Very high	96.8	Very high	28 Å²	28	41.6 Å²	41.6	20%	0.196	20%	0.203	C	C	.	.			trans	-89.7	127.2	-174.8	169.5	0	0	0	0	113.1	E908 R909 R910	S906-E908 VanDerWaalsContact C-N 3.3Å; S906-E908 PolarHBondContact O-N 3.18Å; S906-E908 PolarHBondContact OG-N 2.87Å; S906-R909 PolarHBondContact O-N 2.85Å; S906-R910 WeakPolarHBondContact O-CG 3.41Å; S906-R910 PolarHBondContact O-N 3.23Å; S906-R910 VanDerWaalsContact O-N 3.15Å
907	E	94.9	Very high	96.8	Very high	117 Å²	117	41.6 Å²	41.6	55%	0.547	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-35.9	175.2	-59.2	-64.5	170.5	0	0	112.7	R909 R910 E911	E907-R909 VanDerWaalsContact C-N 3.33Å; E907-R909 PolarHBondContact O-N 2.88Å; E907-R910 WeakPolarHBondContact O-CB 3.49Å; E907-R910 PolarHBondContact O-N 2.83Å; E907-R910 VanDerWaalsContact O-N 3.17Å; E907-R910 IonicContact OE1-CZ 3.85Å; E907-R910 IonicContact OE1-NH1 3.19Å; E907-R910 PolarHBondContact OE1-NH1 2.79Å; E907-R910 VanDerWaalsContact OE2-CD 3.31Å; E907-R910 WeakPolarHBondContact OE2-CD 3.32Å; E907-R910 IonicContact OE2-CZ 2.63Å; E907-R910 IonicContact OE2-NE 3.62Å; E907-R910 IonicContact OE2-NH1 2.79Å; E907-R910 PolarHBondContact OE2-NH1 3.04Å; E907-E911 PolarHBondContact O-N 2.82Å
908	E	95.4	Very high	96.9	Very high	157 Å²	157	46.4 Å²	46.4	73%	0.734	22%	0.221	S	C	*	.	H	α-helix	trans	-61.1	-43.4	177.1	-60.8	174.4	166.3	0	0	111	S906 R910 E911 V912	S906-E908 VanDerWaalsContact C-N 3.3Å; S906-E908 PolarHBondContact O-N 3.18Å; S906-E908 PolarHBondContact OG-N 2.87Å; E908-R910 VanDerWaalsContact C-N 3.33Å; E908-R910 PolarHBondContact O-N 3.13Å; E908-E911 PolarHBondContact O-N 3.34Å; E908-V912 WeakPolarHBondContact O-CG2 3.32Å; E908-V912 PolarHBondContact O-N 3.49Å; E908-V912 VanDerWaalsContact O-N 3.15Å
909	R	96.2	Very high	96.9	Very high	26 Å²	26	43.8 Å²	43.8	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-36.1	176.3	-56.8	-56.8	-66.3	-176.9	6.4	111.5	E845 Y850 V904 S906 E907 L913 T957	E845-R909 IonicContact OE1-CZ 2.67Å; E845-R909 IonicContact OE1-NE 2.79Å; E845-R909 IonicContact OE1-NH2 3.88Å; E845-R909 PolarHBondContact OE1-NH2 3.4Å; E845-R909 IonicContact OE2-CZ 2.69Å; E845-R909 IonicContact OE2-NE 3.66Å; E845-R909 PolarHBondContact OE2-NE 2.79Å; E845-R909 IonicContact OE2-NH2 2.73Å; E845-R909 PolarHBondContact OE2-NH2 3.2Å; Y850-R909 HydrophobicContact CE1-CG 3.85Å; Y850-R909 WeakPolarHBondContact OH-CG 3.47Å; V904-R909 HydrophobicContact CG1-CB 3.8Å; S906-R909 PolarHBondContact O-N 2.85Å; E907-R909 VanDerWaalsContact C-N 3.33Å; E907-R909 PolarHBondContact O-N 2.88Å; R909-L913 WeakPolarHBondContact O-CB 3.44Å; R909-L913 WeakPolarHBondContact O-CG 3.32Å; R909-L913 PolarHBondContact O-N 2.91Å; R909-T957 PolarHBondContact NH1-O 2.9Å; R909-T957 PolarHBondContact NH2-O 2.75Å
910	R	97.1	Very high	97	Very high	51 Å²	51	43.6 Å²	43.6	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-47.5	175.8	-66.1	175.5	-169.8	164.9	6.3	111.9	C901 V904 S906 E907 E908 V912 L913 R914	C901-R910 HydrophobicContact CB-CB 4.07Å; C901-R910 HydrophobicContact CB-CG 3.71Å; C901-R910 PolarHBondContact O-NE 2.77Å; V904-R910 HydrophobicContact CB-CG 4.05Å; V904-R910 HydrophobicContact CG1-CG 4.16Å; V904-R910 VanDerWaalsContact O-CZ 3.27Å; V904-R910 PolarHBondContact O-NE 2.81Å; V904-R910 PolarHBondContact O-NH2 2.79Å; S906-R910 WeakPolarHBondContact O-CG 3.41Å; S906-R910 PolarHBondContact O-N 3.23Å; S906-R910 VanDerWaalsContact O-N 3.15Å; E907-R910 WeakPolarHBondContact O-CB 3.49Å; E907-R910 PolarHBondContact O-N 2.83Å; E907-R910 VanDerWaalsContact O-N 3.17Å; E907-R910 IonicContact OE1-CZ 3.85Å; E907-R910 IonicContact OE1-NH1 3.19Å; E907-R910 PolarHBondContact OE1-NH1 2.79Å; E907-R910 VanDerWaalsContact OE2-CD 3.31Å; E907-R910 WeakPolarHBondContact OE2-CD 3.32Å; E907-R910 IonicContact OE2-CZ 2.63Å; E907-R910 IonicContact OE2-NE 3.62Å; E907-R910 IonicContact OE2-NH1 2.79Å; E907-R910 PolarHBondContact OE2-NH1 3.04Å; E908-R910 VanDerWaalsContact C-N 3.33Å; E908-R910 PolarHBondContact O-N 3.13Å; R910-V912 VanDerWaalsContact C-N 3.35Å; R910-V912 PolarHBondContact O-N 2.9Å; R910-L913 WeakPolarHBondContact O-CB 3.43Å; R910-L913 PolarHBondContact O-N 3Å; R910-R914 WeakPolarHBondContact O-CG 3.27Å; R910-R914 PolarHBondContact O-N 2.9Å
911	E	96.8	Very high	97	Very high	80 Å²	80	46.2 Å²	46.2	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-35.1	-179.8	-166.6	55.3	-136.6	0	0	112.1	E907 E908 L913 R914 E915 R918	E907-E911 PolarHBondContact O-N 2.82Å; E908-E911 PolarHBondContact O-N 3.34Å; E911-L913 PolarHBondContact O-N 3.42Å; E911-R914 WeakPolarHBondContact O-CB 3.18Å; E911-R914 PolarHBondContact O-N 3.41Å; E911-R914 WeakPolarHBondContact OE2-CD 3.38Å; E911-R914 IonicContact OE2-CZ 2.63Å; E911-R914 IonicContact OE2-NE 2.64Å; E911-R914 IonicContact OE2-NH1 3.28Å; E911-R914 PolarHBondContact OE2-NH1 3.39Å; E911-E915 PolarHBondContact O-N 2.91Å; E911-R918 IonicContact OE1-CZ 3.99Å; E911-R918 IonicContact OE1-NH1 2.7Å; E911-R918 PolarHBondContact OE1-NH1 2.79Å; E911-R918 IonicContact OE1-NH2 3.65Å; E911-R918 PolarHBondContact OE1-NH2 3.05Å
912	V	96.4	Very high	97.1	Very high	27 Å²	27	50 Å²	50	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-37.6	172.5	174.3	0	0	0	0	111.9	E908 R910 R914 E915 L916 L953 T957 F958	E908-V912 WeakPolarHBondContact O-CG2 3.32Å; E908-V912 PolarHBondContact O-N 3.49Å; E908-V912 VanDerWaalsContact O-N 3.15Å; R910-V912 VanDerWaalsContact C-N 3.35Å; R910-V912 PolarHBondContact O-N 2.9Å; V912-R914 VanDerWaalsContact C-N 3.33Å; V912-R914 PolarHBondContact O-N 3.03Å; V912-E915 PolarHBondContact O-N 3.11Å; V912-L916 WeakPolarHBondContact O-CB 3.35Å; V912-L916 PolarHBondContact O-N 2.8Å; V912-L953 HydrophobicContact CG1-CD2 4.43Å; V912-T957 HydrophobicContact CB-CG2 4.32Å; V912-T957 HydrophobicContact CG1-CG2 3.76Å; V912-T957 HydrophobicContact CG2-CG2 4.17Å; V912-F958 HydrophobicContact CG1-CE2 3.64Å; V912-F958 HydrophobicContact CG1-CZ 3.9Å
913	L	97.3	Very high	97.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-38.3	172.1	-78.3	171.5	0	0	0	112.4	I841 F842 E845 T897 V904 R909 R910 E911 M917 F958	I841-L913 HydrophobicContact CG2-CD2 3.89Å; F842-L913 HydrophobicContact CD1-CD2 4.22Å; F842-L913 HydrophobicContact CE1-CD2 4.18Å; E845-L913 HydrophobicContact CB-CD1 4.14Å; E845-L913 HydrophobicContact CG-CD1 4.1Å; E845-L913 HydrophobicContact CG-CD2 4.23Å; E845-L913 HydrophobicContact CG-CG 4.46Å; T897-L913 HydrophobicContact CG2-CB 4.32Å; V904-L913 HydrophobicContact CG2-CD1 3.98Å; R909-L913 WeakPolarHBondContact O-CB 3.44Å; R909-L913 WeakPolarHBondContact O-CG 3.32Å; R909-L913 PolarHBondContact O-N 2.91Å; R910-L913 WeakPolarHBondContact O-CB 3.43Å; R910-L913 PolarHBondContact O-N 3Å; E911-L913 PolarHBondContact O-N 3.42Å; L913-M917 PolarHBondContact O-N 2.78Å; L913-F958 HydrophobicContact CD2-CE1 4.24Å; L913-F958 HydrophobicContact CD2-CZ 4.05Å
914	R	98.2	Very high	97.2	Very high	47 Å²	47	45 Å²	45	18%	0.177	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-44.9	172.5	-69.6	173.6	-171.1	124.1	6.7	111.8	M894 E898 R910 E911 V912 L916 M917 R918	M894-R914 HydrophobicContact CE-CB 3.98Å; M894-R914 HydrophobicContact CE-CG 4.13Å; E898-R914 WeakPolarHBondContact OE1-CD 3.26Å; E898-R914 WeakPolarHBondContact OE1-CG 3.46Å; E898-R914 IonicContact OE1-CZ 3.98Å; E898-R914 IonicContact OE1-NE 3.21Å; E898-R914 PolarHBondContact OE1-NE 3.09Å; E898-R914 IonicContact OE2-CZ 3.59Å; E898-R914 IonicContact OE2-NE 2.75Å; E898-R914 PolarHBondContact OE2-NE 3.38Å; E898-R914 IonicContact OE2-NH2 2.8Å; E898-R914 PolarHBondContact OE2-NH2 3.45Å; R910-R914 WeakPolarHBondContact O-CG 3.27Å; R910-R914 PolarHBondContact O-N 2.9Å; E911-R914 WeakPolarHBondContact O-CB 3.18Å; E911-R914 PolarHBondContact O-N 3.41Å; E911-R914 WeakPolarHBondContact OE2-CD 3.38Å; E911-R914 IonicContact OE2-CZ 2.63Å; E911-R914 IonicContact OE2-NE 2.64Å; E911-R914 IonicContact OE2-NH1 3.28Å; E911-R914 PolarHBondContact OE2-NH1 3.39Å; V912-R914 VanDerWaalsContact C-N 3.33Å; V912-R914 PolarHBondContact O-N 3.03Å; R914-L916 VanDerWaalsContact C-N 3.35Å; R914-M917 PolarHBondContact O-N 2.95Å; R914-R918 WeakPolarHBondContact O-CB 3.44Å; R914-R918 PolarHBondContact O-N 3.31Å
915	E	97.8	Very high	97.2	Very high	46 Å²	46	47.2 Å²	47.2	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-45	177.1	-163.6	-173.9	164.4	0	0	111	E911 V912 M917 R918 L919 R949 L953	E911-E915 PolarHBondContact O-N 2.91Å; V912-E915 PolarHBondContact O-N 3.11Å; E915-M917 PolarHBondContact O-N 2.88Å; E915-R918 WeakPolarHBondContact O-CB 3.3Å; E915-R918 PolarHBondContact O-N 2.85Å; E915-L919 HydrophobicContact CG-CD1 4.16Å; E915-L919 WeakPolarHBondContact O-CG 3.44Å; E915-L919 PolarHBondContact O-N 3.01Å; E915-R949 IonicContact OE1-CZ 3.43Å; E915-R949 IonicContact OE1-NE 2.88Å; E915-R949 PolarHBondContact OE1-NE 3.29Å; E915-R949 IonicContact OE1-NH2 3.32Å; E915-R949 PolarHBondContact OE1-NH2 3Å; E915-R949 IonicContact OE2-NH2 2.72Å; E915-R949 PolarHBondContact OE2-NH2 2.59Å; E915-L953 HydrophobicContact CB-CD1 4.31Å; E915-L953 HydrophobicContact CG-CD1 3.96Å
916	L	98.1	Very high	97.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-45.7	177.4	-164.9	75.6	0	0	0	112	F838 I841 V912 R914 Y920 F950 L953 L954 F958	F838-L916 HydrophobicContact CE1-CD2 3.86Å; F838-L916 HydrophobicContact CE1-CG 4.06Å; F838-L916 HydrophobicContact CZ-CD2 4.05Å; F838-L916 HydrophobicContact CZ-CG 4Å; I841-L916 HydrophobicContact CD1-CD2 4.1Å; V912-L916 WeakPolarHBondContact O-CB 3.35Å; V912-L916 PolarHBondContact O-N 2.8Å; R914-L916 VanDerWaalsContact C-N 3.35Å; L916-Y920 WeakPolarHBondContact O-CB 3.44Å; L916-Y920 PolarHBondContact O-N 3.41Å; L916-F950 HydrophobicContact CD1-CD1 4.19Å; L916-F950 HydrophobicContact CD1-CD2 3.83Å; L916-F950 HydrophobicContact CD1-CE1 3.87Å; L916-F950 HydrophobicContact CD1-CE2 3.48Å; L916-F950 VanDerWaalsContact CD1-CE2 3.48Å; L916-F950 HydrophobicContact CD1-CG 4.18Å; L916-F950 HydrophobicContact CD1-CZ 3.51Å; L916-F950 HydrophobicContact CD2-CZ 4.44Å; L916-F950 HydrophobicContact CG-CD2 4.46Å; L916-F950 HydrophobicContact CG-CE2 3.72Å; L916-F950 HydrophobicContact CG-CZ 3.81Å; L916-F950 WeakPolarHBondContact O-CE2 3.48Å; L916-L953 HydrophobicContact CD1-CB 4.3Å; L916-L954 HydrophobicContact CD1-CD2 3.94Å; L916-L954 HydrophobicContact CD2-CD2 4.48Å; L916-F958 HydrophobicContact CD1-CE2 4.4Å; L916-F958 HydrophobicContact CD2-CD2 4.48Å; L916-F958 HydrophobicContact CD2-CE2 3.84Å; L916-F958 HydrophobicContact CD2-CZ 4.05Å
917	M	98.3	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-38.4	175.1	-176.2	60.2	64	0	0	112.1	F838 F842 M892 M894 T897 L913 R914 E915 Y920 L921	F838-M917 HydrophobicContact CD1-CE 3.69Å; F838-M917 HydrophobicContact CE1-CE 3.79Å; F842-M917 HydrophobicContact CZ-CE 3.97Å; M892-M917 HydrophobicContact CE-CE 4Å; M892-M917 HydrophobicContact SD-CE 4.13Å; M894-M917 HydrophobicContact SD-CB 3.96Å; M894-M917 HydrophobicContact SD-CG 3.68Å; T897-M917 HydrophobicContact CG2-CB 4.2Å; T897-M917 WeakPolarHBondContact OG1-CE 3.4Å; T897-M917 WeakPolarHBondContact OG1-CG 3.47Å; L913-M917 PolarHBondContact O-N 2.78Å; R914-M917 PolarHBondContact O-N 2.95Å; E915-M917 PolarHBondContact O-N 2.88Å; M917-Y920 PolarHBondContact O-N 3.31Å; M917-Y920 HydrophobicContact SD-CD1 4.24Å; M917-L921 HydrophobicContact CG-CD1 3.8Å; M917-L921 HydrophobicContact CG-CG 4.21Å; M917-L921 WeakPolarHBondContact O-CB 3.36Å; M917-L921 VanDerWaalsContact O-CG 3.26Å; M917-L921 WeakPolarHBondContact O-CG 3.29Å; M917-L921 PolarHBondContact O-N 3.49Å; M917-L921 HydrophobicContact SD-CD1 4.12Å; M917-L921 HydrophobicContact SD-CG 4Å
918	R	98.4	Very high	97.6	Very high	101 Å²	101	39 Å²	39	38%	0.381	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-43.7	178.6	-174.9	-172.4	-61.3	130.5	-1.7	111	M894 E911 R914 E915 Q922	M894-R918 HydrophobicContact SD-CB 4.29Å; E911-R918 IonicContact OE1-CZ 3.99Å; E911-R918 IonicContact OE1-NH1 2.7Å; E911-R918 PolarHBondContact OE1-NH1 2.79Å; E911-R918 IonicContact OE1-NH2 3.65Å; E911-R918 PolarHBondContact OE1-NH2 3.05Å; R914-R918 WeakPolarHBondContact O-CB 3.44Å; R914-R918 PolarHBondContact O-N 3.31Å; E915-R918 WeakPolarHBondContact O-CB 3.3Å; E915-R918 PolarHBondContact O-N 2.85Å; R918-Q922 WeakPolarHBondContact O-CG 3.43Å; R918-Q922 PolarHBondContact O-N 3.11Å; R918-Q922 VanDerWaalsContact O-N 3.13Å
919	L	98.3	Very high	97.6	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-48	172.8	-70.8	162.5	0	0	0	111.5	E915 L921 Q922 M923 N946 R949 F950 L953	E915-L919 HydrophobicContact CG-CD1 4.16Å; E915-L919 WeakPolarHBondContact O-CG 3.44Å; E915-L919 PolarHBondContact O-N 3.01Å; L919-L921 VanDerWaalsContact C-N 3.26Å; L919-L921 PolarHBondContact O-N 2.68Å; L919-Q922 PolarHBondContact O-N 2.99Å; L919-M923 WeakPolarHBondContact O-CG 3.32Å; L919-M923 PolarHBondContact O-N 3.08Å; L919-N946 HydrophobicContact CD2-CB 4.29Å; L919-R949 HydrophobicContact CD1-CB 4.46Å; L919-R949 HydrophobicContact CD1-CG 3.81Å; L919-R949 HydrophobicContact CD2-CB 4.42Å; L919-R949 HydrophobicContact CD2-CG 4.16Å; L919-F950 HydrophobicContact CB-CD2 3.91Å; L919-L953 HydrophobicContact CD1-CD1 3.52Å
920	Y	98.3	Very high	97.5	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-55.4	-42.4	176.7	-173.5	-105.9	0	0	0	112.1	N834 F838 M892 L916 M917 M923 K924 W927	N834-Y920 HydrophobicContact CB-CE2 3.94Å; N834-Y920 VanDerWaalsContact CB-OH 3.31Å; N834-Y920 WeakPolarHBondContact CB-OH 3.3Å; F838-Y920 AromaticContact CE2-CD2 3.94Å; F838-Y920 HydrophobicContact CE2-CD2 3.94Å; F838-Y920 HydrophobicContact CE2-CE2 4.33Å; F838-Y920 HydrophobicContact CE2-CG 4.1Å; F838-Y920 HydrophobicContact CZ-CD2 4.22Å; F838-Y920 HydrophobicContact CZ-CG 4Å; M892-Y920 HydrophobicContact CB-CD1 4.43Å; M892-Y920 HydrophobicContact CB-CE1 3.95Å; M892-Y920 HydrophobicContact CG-CE1 3.77Å; M892-Y920 HydrophobicContact SD-CD1 4.22Å; M892-Y920 HydrophobicContact SD-CE1 3.73Å; L916-Y920 WeakPolarHBondContact O-CB 3.44Å; L916-Y920 PolarHBondContact O-N 3.41Å; M917-Y920 PolarHBondContact O-N 3.31Å; M917-Y920 HydrophobicContact SD-CD1 4.24Å; Y920-M923 PolarHBondContact O-N 2.96Å; Y920-K924 HydrophobicContact CD1-CD 4.38Å; Y920-K924 HydrophobicContact CE1-CB 4.49Å; Y920-K924 HydrophobicContact CE1-CD 3.72Å; Y920-K924 WeakPolarHBondContact O-CB 3.33Å; Y920-K924 PolarHBondContact O-N 2.98Å; Y920-W927 HydrophobicContact CD2-CH2 4.12Å; Y920-W927 AromaticContact CE2-CH2 3.66Å; Y920-W927 HydrophobicContact CE2-CH2 3.66Å; Y920-W927 AromaticContact CE2-CZ2 3.8Å; Y920-W927 HydrophobicContact CE2-CZ2 3.8Å; Y920-W927 AromaticContact CZ-CZ2 3.91Å
921	L	98.1	Very high	97.4	Very high	56 Å²	56	33.4 Å²	33.4	29%	0.293	17%	0.165	S	C	.	.	H	α-helix	trans	-71.9	-24	178	-71.6	172.6	0	0	0	114.1	M892 M894 M917 L919 P925	M892-L921 WeakPolarHBondContact O-CD2 3.22Å; M894-L921 HydrophobicContact CG-CD1 3.72Å; M894-L921 HydrophobicContact SD-CD1 3.88Å; M917-L921 HydrophobicContact CG-CD1 3.8Å; M917-L921 HydrophobicContact CG-CG 4.21Å; M917-L921 WeakPolarHBondContact O-CB 3.36Å; M917-L921 VanDerWaalsContact O-CG 3.26Å; M917-L921 WeakPolarHBondContact O-CG 3.29Å; M917-L921 PolarHBondContact O-N 3.49Å; M917-L921 HydrophobicContact SD-CD1 4.12Å; M917-L921 HydrophobicContact SD-CG 4Å; L919-L921 VanDerWaalsContact C-N 3.26Å; L919-L921 PolarHBondContact O-N 2.68Å; L921-P925 VanDerWaalsContact O-CD 3.24Å; L921-P925 WeakPolarHBondContact O-CD 3.38Å
922	Q	97.9	Very high	97.4	Very high	82 Å²	82	29.6 Å²	29.6	38%	0.383	15%	0.148	S	C	.	.	H	α-helix	trans	-77.5	-36.7	170.5	-73.8	-179.6	13.1	0	0	112.1	R918 L919 P925 Q939 N946	R918-Q922 WeakPolarHBondContact O-CG 3.43Å; R918-Q922 PolarHBondContact O-N 3.11Å; R918-Q922 VanDerWaalsContact O-N 3.13Å; L919-Q922 PolarHBondContact O-N 2.99Å; Q922-P925 WeakPolarHBondContact O-CD 3.49Å; Q922-Q939 WeakPolarHBondContact O-CB 3.21Å; Q922-Q939 VanDerWaalsContact O-CG 3.28Å; Q922-Q939 WeakPolarHBondContact O-CG 3.46Å; Q922-N946 PolarHBondContact OE1-ND2 3.47Å
923	M	98.3	Very high	97.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-78.9	-38.3	-179.9	-62	171.5	66	0	0	112.4	L919 Y920 P925 V926 W927 Y943 N946 S947 F950 L974	L919-M923 WeakPolarHBondContact O-CG 3.32Å; L919-M923 PolarHBondContact O-N 3.08Å; Y920-M923 PolarHBondContact O-N 2.96Å; M923-P925 VanDerWaalsContact C-CD 3.41Å; M923-V926 WeakPolarHBondContact O-CB 3.27Å; M923-V926 PolarHBondContact O-N 2.65Å; M923-W927 VanDerWaalsContact C-CZ3 3.46Å; M923-W927 HydrophobicContact CB-CH2 4.41Å; M923-W927 HydrophobicContact CB-CZ3 3.74Å; M923-W927 WeakPolarHBondContact O-CZ3 3.4Å; M923-Y943 HydrophobicContact CB-CD2 4.16Å; M923-Y943 HydrophobicContact CB-CE2 3.66Å; M923-Y943 HydrophobicContact CE-CD1 4.25Å; M923-Y943 HydrophobicContact CE-CE1 3.6Å; M923-Y943 HydrophobicContact CE-CE2 4Å; M923-Y943 VanDerWaalsContact CE-CZ 3.46Å; M923-Y943 HydrophobicContact CG-CD2 4.42Å; M923-Y943 HydrophobicContact CG-CE2 4.25Å; M923-Y943 WeakPolarHBondContact O-CE2 3.31Å; M923-N946 HydrophobicContact CG-CB 3.63Å; M923-N946 HydrophobicContact SD-CB 3.96Å; M923-S947 VanDerWaalsContact CE-CB 3.48Å; M923-F950 HydrophobicContact SD-CB 4.39Å; M923-L974 HydrophobicContact CE-CD2 4.09Å
924	K	97.9	Very high	97.3	Very high	31 Å²	31	40 Å²	40	14%	0.135	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.6	-172.9	173	166.5	170.5	46.8	0	117.1	D831 Y920 V926 W927	D831-K924 IonicContact OD1-NZ 2.69Å; D831-K924 PolarHBondContact OD1-NZ 3.21Å; D831-K924 IonicContact OD2-NZ 3.97Å; D831-K924 PolarHBondContact OD2-NZ 3.43Å; Y920-K924 HydrophobicContact CD1-CD 4.38Å; Y920-K924 HydrophobicContact CE1-CB 4.49Å; Y920-K924 HydrophobicContact CE1-CD 3.72Å; Y920-K924 WeakPolarHBondContact O-CB 3.33Å; Y920-K924 PolarHBondContact O-N 2.98Å; K924-V926 PolarHBondContact O-N 2.75Å; K924-W927 VanDerWaalsContact CA-CH2 3.48Å; K924-W927 HydrophobicContact CB-CH2 3.87Å; K924-W927 HydrophobicContact CB-CZ2 3.88Å; K924-W927 HydrophobicContact CB-CZ3 4.42Å; K924-W927 HydrophobicContact CG-CZ2 4.06Å
925	P	97.8	Very high	97.2	Very high	47 Å²	47	42.7 Å²	42.7	31%	0.305	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.9	174.7	-27.7	36.8	0	0	0	112.5	L921 Q922 M923 W927 R928 A929 C936	L921-P925 VanDerWaalsContact O-CD 3.24Å; L921-P925 WeakPolarHBondContact O-CD 3.38Å; Q922-P925 WeakPolarHBondContact O-CD 3.49Å; M923-P925 VanDerWaalsContact C-CD 3.41Å; P925-W927 PolarHBondContact O-N 3.28Å; P925-R928 PolarHBondContact O-N 3.48Å; P925-A929 VanDerWaalsContact O-CB 3.32Å; P925-A929 WeakPolarHBondContact O-CB 3.35Å; P925-A929 PolarHBondContact O-N 3.27Å; P925-C936 HydrophobicContact CB-CB 4.11Å
926	V	98.1	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-40.8	-169.6	177.3	0	0	0	0	112.5	M923 K924 P932 Q939 L940 Y943 V977 I981	M923-V926 WeakPolarHBondContact O-CB 3.27Å; M923-V926 PolarHBondContact O-N 2.65Å; K924-V926 PolarHBondContact O-N 2.75Å; V926-P932 WeakPolarHBondContact O-CB 3.34Å; V926-Q939 VanDerWaalsContact CG2-C 3.49Å; V926-Q939 HydrophobicContact CG2-CB 3.61Å; V926-L940 HydrophobicContact CG1-CB 4.34Å; V926-L940 HydrophobicContact CG1-CD1 3.73Å; V926-L940 HydrophobicContact CG2-CB 4.33Å; V926-Y943 HydrophobicContact CB-CD2 3.73Å; V926-Y943 HydrophobicContact CB-CE2 3.91Å; V926-Y943 HydrophobicContact CG1-CD2 3.74Å; V926-Y943 HydrophobicContact CG1-CE2 4.1Å; V926-Y943 HydrophobicContact CG2-CD2 3.88Å; V926-Y943 HydrophobicContact CG2-CE2 4.44Å; V926-V977 HydrophobicContact CG1-CG1 4.26Å; V926-I981 HydrophobicContact CB-CD1 4.5Å; V926-I981 HydrophobicContact CG1-CD1 3.32Å; V926-I981 VanDerWaalsContact O-CD1 3.3Å; V926-I981 WeakPolarHBondContact O-CD1 3.36Å
927	W	97.3	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.3	175.1	73.2	84.8	0	0	0	114.8	A827 Y920 M923 K924 P925 Y943 T973 V977 I987 G988	A827-W927 WeakPolarHBondContact CB-O 3.5Å; Y920-W927 HydrophobicContact CD2-CH2 4.12Å; Y920-W927 AromaticContact CE2-CH2 3.66Å; Y920-W927 HydrophobicContact CE2-CH2 3.66Å; Y920-W927 AromaticContact CE2-CZ2 3.8Å; Y920-W927 HydrophobicContact CE2-CZ2 3.8Å; Y920-W927 AromaticContact CZ-CZ2 3.91Å; M923-W927 VanDerWaalsContact C-CZ3 3.46Å; M923-W927 HydrophobicContact CB-CH2 4.41Å; M923-W927 HydrophobicContact CB-CZ3 3.74Å; M923-W927 WeakPolarHBondContact O-CZ3 3.4Å; K924-W927 VanDerWaalsContact CA-CH2 3.48Å; K924-W927 HydrophobicContact CB-CH2 3.87Å; K924-W927 HydrophobicContact CB-CZ2 3.88Å; K924-W927 HydrophobicContact CB-CZ3 4.42Å; K924-W927 HydrophobicContact CG-CZ2 4.06Å; P925-W927 PolarHBondContact O-N 3.28Å; W927-Y943 AromaticContact CE3-CE2 3.87Å; W927-Y943 HydrophobicContact CE3-CE2 3.87Å; W927-Y943 VanDerWaalsContact CE3-OH 3.24Å; W927-Y943 HydrophobicContact CZ3-CE2 4Å; W927-Y943 WeakPolarHBondContact CZ3-OH 3.33Å; W927-T973 HydrophobicContact CE3-CG2 3.97Å; W927-T973 HydrophobicContact CH2-CG2 3.5Å; W927-T973 VanDerWaalsContact CH2-CG2 3.5Å; W927-T973 HydrophobicContact CZ2-CG2 4.11Å; W927-T973 HydrophobicContact CZ3-CG2 3.41Å; W927-T973 VanDerWaalsContact CZ3-CG2 3.41Å; W927-V977 HydrophobicContact CB-CG1 4.21Å; W927-V977 HydrophobicContact CB-CG2 4.42Å; W927-I987 HydrophobicContact CB-CB 4.28Å; W927-I987 HydrophobicContact CB-CD1 4.01Å; W927-I987 HydrophobicContact CB-CG2 4.33Å; W927-G988 PolarHBondContact O-N 3.42Å
928	R	96.9	Very high	97	Very high	45 Å²	45	49 Å²	49	17%	0.17	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-21.1	-177.7	-68.2	-68.2	-93.1	133.2	-18.9	115.3	D831 P925 E993	D831-R928 IonicContact OD1-NE 3.38Å; D831-R928 IonicContact OD2-CZ 2.83Å; D831-R928 IonicContact OD2-NE 2.64Å; D831-R928 PolarHBondContact OD2-NE 3.06Å; D831-R928 IonicContact OD2-NH2 3.38Å; D831-R928 PolarHBondContact OD2-NH2 3.38Å; P925-R928 PolarHBondContact O-N 3.48Å; R928-E993 IonicContact CZ-OE2 3.69Å; R928-E993 VanDerWaalsContact CZ-OE2 3.24Å; R928-E993 IonicContact NH1-OE2 2.65Å; R928-E993 PolarHBondContact NH1-OE2 3.34Å; R928-E993 IonicContact NH2-OE1 2.79Å; R928-E993 IonicContact NH2-OE2 2.75Å; R928-E993 PolarHBondContact NH2-OE2 3.06Å
929	A	96.1	Very high	97	Very high	8 Å²	8	47.3 Å²	47.3	7%	0.066	25%	0.252	C	S	.	.	S	Bend	trans	-55.8	150.4	168.7	0	0	0	0	0	110.7	P925 P932 E935 S986 G988	P925-A929 VanDerWaalsContact O-CB 3.32Å; P925-A929 WeakPolarHBondContact O-CB 3.35Å; P925-A929 PolarHBondContact O-N 3.27Å; A929-P932 HydrophobicContact CB-CB 4.04Å; A929-E935 VanDerWaalsContact CA-OE2 3.3Å; A929-E935 WeakPolarHBondContact CA-OE2 3.5Å; A929-E935 HydrophobicContact CB-CB 4.02Å; A929-E935 HydrophobicContact CB-CG 4.49Å; A929-E935 VanDerWaalsContact CB-OE2 3.25Å; A929-E935 WeakPolarHBondContact CB-OE2 3.29Å; A929-S986 PolarHBondContact O-OG 2.87Å; A929-G988 WeakPolarHBondContact O-CA 3.48Å; A929-G988 PolarHBondContact O-N 3.25Å
930	T	94.4	Very high	97	Very high	66 Å²	66	48.9 Å²	48.9	41%	0.405	26%	0.26	S	S	.	.	S	Bend	trans	-75.3	-35.1	172.6	22.1	0	0	0	0	111.5	P680 E935 S986 A989	P680-T930 HydrophobicContact CG-CG2 4.04Å; T930-E935 WeakPolarHBondContact CA-OE1 3.42Å; T930-E935 WeakPolarHBondContact CB-OE1 3.36Å; T930-E935 PolarHBondContact N-OE1 3.45Å; T930-E935 PolarHBondContact N-OE2 3.02Å; T930-E935 PolarHBondContact OG1-OE1 3.11Å; T930-S986 WeakPolarHBondContact O-CB 3.33Å; T930-S986 PolarHBondContact O-OG 3.38Å; T930-A989 HydrophobicContact CG2-CB 4.26Å
931	C	94.9	Very high	96.9	Very high	44 Å²	44	54 Å²	54	30%	0.297	30%	0.296	S	S	.	.	S	Bend	trans	-139.4	86.6	171.1	-174.5	0	0	0	0	109.6	A933 K934 E935	C931-A933 VanDerWaalsContact C-N 3.25Å; C931-A933 PolarHBondContact O-N 2.94Å; C931-K934 HydrophobicContact CB-CB 4.43Å; C931-K934 PolarHBondContact O-N 3Å; C931-E935 PolarHBondContact N-OE1 2.85Å; C931-E935 WeakPolarHBondContact O-CB 3.41Å; C931-E935 PolarHBondContact O-N 3.29Å
932	P	96.6	Very high	96.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-33.8	-174.7	20.5	-32.9	0	0	0	113.9	V926 A929 K934 E935 C936 I981 G985	V926-P932 WeakPolarHBondContact O-CB 3.34Å; A929-P932 HydrophobicContact CB-CB 4.04Å; P932-K934 PolarHBondContact O-N 3.41Å; P932-E935 PolarHBondContact O-N 2.92Å; P932-C936 CarbonylContact O-C 3.59Å; P932-C936 VanDerWaalsContact O-C 3.24Å; P932-C936 WeakPolarHBondContact O-CA 3.38Å; P932-C936 PolarHBondContact O-N 3.22Å; P932-I981 HydrophobicContact CG-CD1 4.21Å; P932-I981 HydrophobicContact CG-CG1 4.48Å; P932-I981 HydrophobicContact CG-CG2 3.8Å; P932-G985 WeakPolarHBondContact CD-O 3.21Å
933	A	96.1	Very high	96.9	Very high	61 Å²	61	54.3 Å²	54.3	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-23.9	176.1	0	0	0	0	0	114.1	C931 L940	C931-A933 VanDerWaalsContact C-N 3.25Å; C931-A933 PolarHBondContact O-N 2.94Å; A933-L940 HydrophobicContact CB-CD2 4.26Å
934	K	95.1	Very high	96.8	Very high	184 Å²	184	57.7 Å²	57.7	80%	0.8	31%	0.314	S	S	*	.	H	α-helix	trans	-103	-32.9	176	-65.1	-179.6	-177.1	179.1	0	112.7	C931 P932	C931-K934 HydrophobicContact CB-CB 4.43Å; C931-K934 PolarHBondContact O-N 3Å; P932-K934 PolarHBondContact O-N 3.41Å
935	E	96.7	Very high	96.8	Very high	105 Å²	105	63.3 Å²	63.3	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-88.7	-31.6	-175.2	-70	172.1	-131.7	0	0	114.3	A929 T930 C931 P932	A929-E935 VanDerWaalsContact CA-OE2 3.3Å; A929-E935 WeakPolarHBondContact CA-OE2 3.5Å; A929-E935 HydrophobicContact CB-CB 4.02Å; A929-E935 HydrophobicContact CB-CG 4.49Å; A929-E935 VanDerWaalsContact CB-OE2 3.25Å; A929-E935 WeakPolarHBondContact CB-OE2 3.29Å; T930-E935 WeakPolarHBondContact CA-OE1 3.42Å; T930-E935 WeakPolarHBondContact CB-OE1 3.36Å; T930-E935 PolarHBondContact N-OE1 3.45Å; T930-E935 PolarHBondContact N-OE2 3.02Å; T930-E935 PolarHBondContact OG1-OE1 3.11Å; C931-E935 PolarHBondContact N-OE1 2.85Å; C931-E935 WeakPolarHBondContact O-CB 3.41Å; C931-E935 PolarHBondContact O-N 3.29Å; P932-E935 PolarHBondContact O-N 2.92Å
936	C	96.9	Very high	96.8	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.054	33%	0.325	C	S	.	.			trans	-152.7	55.8	-175.2	51.4	0	0	0	0	113.9	P925 P932 D938 Q939 L940	P925-C936 HydrophobicContact CB-CB 4.11Å; P932-C936 CarbonylContact O-C 3.59Å; P932-C936 VanDerWaalsContact O-C 3.24Å; P932-C936 WeakPolarHBondContact O-CA 3.38Å; P932-C936 PolarHBondContact O-N 3.22Å; C936-D938 PolarHBondContact O-N 2.89Å; C936-Q939 HydrophobicContact CB-CB 4.2Å; C936-Q939 HydrophobicContact CB-CG 4.4Å; C936-Q939 VanDerWaalsContact CB-OE1 3.25Å; C936-Q939 PolarHBondContact O-N 3.33Å; C936-Q939 PolarHBondContact O-OE1 3.36Å; C936-L940 PolarHBondContact O-N 2.79Å
937	P	97.3	Very high	96.8	Very high	69 Å²	69	61.7 Å²	61.7	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-36.7	-175.4	24.6	-34.5	0	0	0	113.9	Q939 L940 C941	P937-Q939 VanDerWaalsContact C-N 3.32Å; P937-Q939 PolarHBondContact O-N 2.86Å; P937-L940 PolarHBondContact O-N 3.17Å; P937-C941 WeakPolarHBondContact O-CB 3.33Å; P937-C941 PolarHBondContact O-N 2.99Å
938	D	96.9	Very high	96.8	Very high	100 Å²	100	65.5 Å²	65.5	54%	0.535	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-41.2	176.5	-78.6	-40.1	0	0	0	112.1	C936 R942	C936-D938 PolarHBondContact O-N 2.89Å; D938-R942 WeakPolarHBondContact O-CB 3.38Å; D938-R942 VanDerWaalsContact O-CG 3.25Å; D938-R942 WeakPolarHBondContact O-CG 3.17Å; D938-R942 PolarHBondContact O-N 3.33Å; D938-R942 VanDerWaalsContact O-N 3.15Å
939	Q	97.8	Very high	96.9	Very high	67 Å²	67	67.9 Å²	67.9	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-37.9	179.3	-66.5	78.8	4.6	0	0	111.3	Q922 V926 C936 P937 R942 Y943	Q922-Q939 WeakPolarHBondContact O-CB 3.21Å; Q922-Q939 VanDerWaalsContact O-CG 3.28Å; Q922-Q939 WeakPolarHBondContact O-CG 3.46Å; V926-Q939 VanDerWaalsContact CG2-C 3.49Å; V926-Q939 HydrophobicContact CG2-CB 3.61Å; C936-Q939 HydrophobicContact CB-CB 4.2Å; C936-Q939 HydrophobicContact CB-CG 4.4Å; C936-Q939 VanDerWaalsContact CB-OE1 3.25Å; C936-Q939 PolarHBondContact O-N 3.33Å; C936-Q939 PolarHBondContact O-OE1 3.36Å; P937-Q939 VanDerWaalsContact C-N 3.32Å; P937-Q939 PolarHBondContact O-N 2.86Å; Q939-R942 PolarHBondContact O-N 3.1Å; Q939-Y943 PolarHBondContact O-N 2.87Å; Q939-Y943 VanDerWaalsContact O-N 3.12Å
940	L	97.6	Very high	97	Very high	45 Å²	45	67.7 Å²	67.7	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-51	174.5	175	58.9	0	0	0	110.8	V926 A933 C936 P937 R942 Y943 I981	V926-L940 HydrophobicContact CG1-CB 4.34Å; V926-L940 HydrophobicContact CG1-CD1 3.73Å; V926-L940 HydrophobicContact CG2-CB 4.33Å; A933-L940 HydrophobicContact CB-CD2 4.26Å; C936-L940 PolarHBondContact O-N 2.79Å; P937-L940 PolarHBondContact O-N 3.17Å; L940-R942 PolarHBondContact O-N 3.35Å; L940-Y943 VanDerWaalsContact O-CB 3.28Å; L940-Y943 WeakPolarHBondContact O-CB 3.27Å; L940-Y943 PolarHBondContact O-N 3.46Å; L940-Y943 VanDerWaalsContact O-N 3.11Å; L940-I981 HydrophobicContact CD1-CD1 4.48Å; L940-I981 HydrophobicContact CD1-CG2 3.87Å; L940-I981 HydrophobicContact CD2-CG2 4.27Å
941	C	97	Very high	97.1	Very high	112 Å²	112	64.7 Å²	64.7	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-60.1	-32.3	178.5	-177.6	0	0	0	0	113.1	P937	P937-C941 WeakPolarHBondContact O-CB 3.33Å; P937-C941 PolarHBondContact O-N 2.99Å
942	R	96.9	Very high	97.3	Very high	145 Å²	145	66 Å²	66	55%	0.547	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3	179.8	-63.4	175.9	-165.1	-167.1	6.9	113.8	D938 Q939 L940 S944 F945 N946	D938-R942 WeakPolarHBondContact O-CB 3.38Å; D938-R942 VanDerWaalsContact O-CG 3.25Å; D938-R942 WeakPolarHBondContact O-CG 3.17Å; D938-R942 PolarHBondContact O-N 3.33Å; D938-R942 VanDerWaalsContact O-N 3.15Å; Q939-R942 PolarHBondContact O-N 3.1Å; L940-R942 PolarHBondContact O-N 3.35Å; R942-S944 PolarHBondContact O-N 2.66Å; R942-F945 PolarHBondContact O-N 3.23Å; R942-N946 WeakPolarHBondContact O-CB 3.46Å; R942-N946 PolarHBondContact O-N 3.02Å
943	Y	98.3	Very high	97.3	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-49.1	-169.4	-165	-82.8	0	0	0	112.7	M923 V926 W927 Q939 L940 F945 N946 S947 T973 V977 P978	M923-Y943 HydrophobicContact CB-CD2 4.16Å; M923-Y943 HydrophobicContact CB-CE2 3.66Å; M923-Y943 HydrophobicContact CE-CD1 4.25Å; M923-Y943 HydrophobicContact CE-CE1 3.6Å; M923-Y943 HydrophobicContact CE-CE2 4Å; M923-Y943 VanDerWaalsContact CE-CZ 3.46Å; M923-Y943 HydrophobicContact CG-CD2 4.42Å; M923-Y943 HydrophobicContact CG-CE2 4.25Å; M923-Y943 WeakPolarHBondContact O-CE2 3.31Å; V926-Y943 HydrophobicContact CB-CD2 3.73Å; V926-Y943 HydrophobicContact CB-CE2 3.91Å; V926-Y943 HydrophobicContact CG1-CD2 3.74Å; V926-Y943 HydrophobicContact CG1-CE2 4.1Å; V926-Y943 HydrophobicContact CG2-CD2 3.88Å; V926-Y943 HydrophobicContact CG2-CE2 4.44Å; W927-Y943 AromaticContact CE3-CE2 3.87Å; W927-Y943 HydrophobicContact CE3-CE2 3.87Å; W927-Y943 VanDerWaalsContact CE3-OH 3.24Å; W927-Y943 HydrophobicContact CZ3-CE2 4Å; W927-Y943 WeakPolarHBondContact CZ3-OH 3.33Å; Q939-Y943 PolarHBondContact O-N 2.87Å; Q939-Y943 VanDerWaalsContact O-N 3.12Å; L940-Y943 VanDerWaalsContact O-CB 3.28Å; L940-Y943 WeakPolarHBondContact O-CB 3.27Å; L940-Y943 PolarHBondContact O-N 3.46Å; L940-Y943 VanDerWaalsContact O-N 3.11Å; Y943-F945 PolarHBondContact O-N 2.92Å; Y943-N946 CarbonylContact O-C 3.11Å; Y943-N946 PolarHBondContact O-N 3.39Å; Y943-S947 PolarHBondContact O-N 3.45Å; Y943-T973 WeakPolarHBondContact OH-CG2 3.32Å; Y943-T973 PolarHBondContact OH-O 2.83Å; Y943-V977 HydrophobicContact CD2-CG1 4.41Å; Y943-V977 HydrophobicContact CE1-CB 3.79Å; Y943-V977 HydrophobicContact CE1-CG1 3.9Å; Y943-V977 HydrophobicContact CE2-CB 4.47Å; Y943-V977 HydrophobicContact CE2-CG1 3.77Å; Y943-V977 VanDerWaalsContact CZ-CG1 3.48Å; Y943-P978 HydrophobicContact CD1-CG 3.67Å; Y943-P978 HydrophobicContact CE1-CG 4.26Å; Y943-P978 HydrophobicContact CG-CG 4.43Å
944	S	97.1	Very high	97.3	Very high	74 Å²	74	63.5 Å²	63.5	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-34.2	-176.7	-43.5	0	0	0	0	113.1	R942 S947 Q948	R942-S944 PolarHBondContact O-N 2.66Å; S944-S947 PolarHBondContact O-OG 2.96Å; S944-S947 VanDerWaalsContact O-OG 3.13Å; S944-Q948 WeakPolarHBondContact O-CB 3.47Å; S944-Q948 PolarHBondContact O-N 3.21Å; S944-Q948 VanDerWaalsContact O-N 3.08Å
945	F	97.6	Very high	97.3	Very high	149 Å²	149	57.1 Å²	57.1	65%	0.654	30%	0.295	S	S	*	.	H	α-helix	trans	-66.6	-44.5	172	173.6	-95.5	0	0	0	111.1	R942 Y943 R949	R942-F945 PolarHBondContact O-N 3.23Å; Y943-F945 PolarHBondContact O-N 2.92Å; F945-R949 WeakPolarHBondContact O-CB 3.48Å; F945-R949 PolarHBondContact O-N 3.21Å
946	N	98	Very high	97.2	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-36.1	178	-77.5	-10.5	0	0	0	112.3	L919 Q922 M923 R942 Y943 F950	L919-N946 HydrophobicContact CD2-CB 4.29Å; Q922-N946 PolarHBondContact OE1-ND2 3.47Å; M923-N946 HydrophobicContact CG-CB 3.63Å; M923-N946 HydrophobicContact SD-CB 3.96Å; R942-N946 WeakPolarHBondContact O-CB 3.46Å; R942-N946 PolarHBondContact O-N 3.02Å; Y943-N946 CarbonylContact O-C 3.11Å; Y943-N946 PolarHBondContact O-N 3.39Å; N946-F950 VanDerWaalsContact O-CB 3.29Å; N946-F950 WeakPolarHBondContact O-CB 3.06Å; N946-F950 PolarHBondContact O-N 2.97Å
947	S	97.8	Very high	97.2	Very high	5 Å²	5	57.1 Å²	57.1	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-69.8	-41.2	177	72.3	0	0	0	0	112.1	M923 Y943 S944 F950 A951 L974	M923-S947 VanDerWaalsContact CE-CB 3.48Å; Y943-S947 PolarHBondContact O-N 3.45Å; S944-S947 PolarHBondContact O-OG 2.96Å; S944-S947 VanDerWaalsContact O-OG 3.13Å; S947-F950 PolarHBondContact O-N 3.47Å; S947-A951 WeakPolarHBondContact O-CB 3.42Å; S947-A951 PolarHBondContact O-N 3.25Å; S947-L974 WeakPolarHBondContact CB-O 3.46Å; S947-L974 PolarHBondContact OG-O 3.44Å
948	Q	97.9	Very high	97.1	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-53.2	171	-178	65.4	66	0	0	110.6	S944 F950 A951 D952	S944-Q948 WeakPolarHBondContact O-CB 3.47Å; S944-Q948 PolarHBondContact O-N 3.21Å; S944-Q948 VanDerWaalsContact O-N 3.08Å; Q948-F950 PolarHBondContact O-N 3.18Å; Q948-A951 WeakPolarHBondContact O-CB 3.41Å; Q948-A951 PolarHBondContact O-N 3.07Å; Q948-D952 PolarHBondContact NE2-OD1 3.15Å; Q948-D952 PolarHBondContact O-N 3.24Å
949	R	97.9	Very high	97	Very high	95 Å²	95	55 Å²	55	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-35.3	179.6	-179.6	59.2	-176	174.7	3.6	112.4	E915 L919 F945 L953	E915-R949 IonicContact OE1-CZ 3.43Å; E915-R949 IonicContact OE1-NE 2.88Å; E915-R949 PolarHBondContact OE1-NE 3.29Å; E915-R949 IonicContact OE1-NH2 3.32Å; E915-R949 PolarHBondContact OE1-NH2 3Å; E915-R949 IonicContact OE2-NH2 2.72Å; E915-R949 PolarHBondContact OE2-NH2 2.59Å; L919-R949 HydrophobicContact CD1-CB 4.46Å; L919-R949 HydrophobicContact CD1-CG 3.81Å; L919-R949 HydrophobicContact CD2-CB 4.42Å; L919-R949 HydrophobicContact CD2-CG 4.16Å; F945-R949 WeakPolarHBondContact O-CB 3.48Å; F945-R949 PolarHBondContact O-N 3.21Å; R949-L953 WeakPolarHBondContact O-CG 3.49Å; R949-L953 PolarHBondContact O-N 3.21Å
950	F	98.4	Very high	96.8	Very high	4 Å²	4	55 Å²	55	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-48.2	173.4	-165.1	-79.2	0	0	0	111.5	F838 L916 L919 M923 N946 S947 Q948 D952 L953 L954 L970 L974	F838-F950 HydrophobicContact CE2-CE2 4.49Å; F838-F950 AromaticContact CE2-CZ 3.91Å; F838-F950 HydrophobicContact CE2-CZ 3.91Å; F838-F950 AromaticContact CZ-CE2 3.97Å; F838-F950 HydrophobicContact CZ-CE2 3.97Å; F838-F950 AromaticContact CZ-CZ 3.73Å; F838-F950 HydrophobicContact CZ-CZ 3.73Å; L916-F950 HydrophobicContact CD1-CD1 4.19Å; L916-F950 HydrophobicContact CD1-CD2 3.83Å; L916-F950 HydrophobicContact CD1-CE1 3.87Å; L916-F950 HydrophobicContact CD1-CE2 3.48Å; L916-F950 VanDerWaalsContact CD1-CE2 3.48Å; L916-F950 HydrophobicContact CD1-CG 4.18Å; L916-F950 HydrophobicContact CD1-CZ 3.51Å; L916-F950 HydrophobicContact CD2-CZ 4.44Å; L916-F950 HydrophobicContact CG-CD2 4.46Å; L916-F950 HydrophobicContact CG-CE2 3.72Å; L916-F950 HydrophobicContact CG-CZ 3.81Å; L916-F950 WeakPolarHBondContact O-CE2 3.48Å; L919-F950 HydrophobicContact CB-CD2 3.91Å; M923-F950 HydrophobicContact SD-CB 4.39Å; N946-F950 VanDerWaalsContact O-CB 3.29Å; N946-F950 WeakPolarHBondContact O-CB 3.06Å; N946-F950 PolarHBondContact O-N 2.97Å; S947-F950 PolarHBondContact O-N 3.47Å; Q948-F950 PolarHBondContact O-N 3.18Å; F950-D952 VanDerWaalsContact C-N 3.33Å; F950-D952 PolarHBondContact O-N 3.36Å; F950-L953 PolarHBondContact O-N 3.08Å; F950-L954 HydrophobicContact CD1-CD1 4.01Å; F950-L954 HydrophobicContact CD1-CD2 4.38Å; F950-L954 HydrophobicContact CD1-CG 3.97Å; F950-L954 HydrophobicContact CE1-CD1 3.85Å; F950-L954 HydrophobicContact CE1-CD2 3.89Å; F950-L954 HydrophobicContact CE1-CG 3.92Å; F950-L954 WeakPolarHBondContact O-CG 3.18Å; F950-L954 PolarHBondContact O-N 3.39Å; F950-L970 HydrophobicContact CE1-CD1 3.96Å; F950-L974 HydrophobicContact CB-CD2 4.04Å; F950-L974 HydrophobicContact CD1-CD1 4.23Å; F950-L974 HydrophobicContact CD1-CD2 3.78Å; F950-L974 HydrophobicContact CG-CD2 4.11Å
951	A	97.6	Very high	96.7	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-38.1	177.2	0	0	0	0	0	112.7	M775 V776 S947 Q948 L954 S955	M775-A951 HydrophobicContact CB-CB 3.85Å; M775-A951 HydrophobicContact CG-CB 4.32Å; M775-A951 HydrophobicContact SD-CB 3.92Å; V776-A951 HydrophobicContact CG1-CB 4.02Å; S947-A951 WeakPolarHBondContact O-CB 3.42Å; S947-A951 PolarHBondContact O-N 3.25Å; Q948-A951 WeakPolarHBondContact O-CB 3.41Å; Q948-A951 PolarHBondContact O-N 3.07Å; A951-L954 PolarHBondContact O-N 3.23Å; A951-S955 VanDerWaalsContact O-CB 3.27Å; A951-S955 WeakPolarHBondContact O-CB 3.44Å; A951-S955 PolarHBondContact O-N 3.29Å; A951-S955 PolarHBondContact O-OG 2.71Å
952	D	97.2	Very high	96.6	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-47.1	175.3	-60.2	-23.8	0	0	0	111	Q948 F950 L954 S955 A956	Q948-D952 PolarHBondContact NE2-OD1 3.15Å; Q948-D952 PolarHBondContact O-N 3.24Å; F950-D952 VanDerWaalsContact C-N 3.33Å; F950-D952 PolarHBondContact O-N 3.36Å; D952-L954 PolarHBondContact O-N 3.01Å; D952-S955 PolarHBondContact O-N 3.12Å; D952-A956 WeakPolarHBondContact O-CB 3.4Å; D952-A956 PolarHBondContact O-N 3.03Å
953	L	96.9	Very high	96.4	Very high	10 Å²	10	49 Å²	49	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-38.4	177.6	-70	172.2	0	0	0	112.4	V912 E915 L916 L919 R949 F950 T957 F958	V912-L953 HydrophobicContact CG1-CD2 4.43Å; E915-L953 HydrophobicContact CB-CD1 4.31Å; E915-L953 HydrophobicContact CG-CD1 3.96Å; L916-L953 HydrophobicContact CD1-CB 4.3Å; L919-L953 HydrophobicContact CD1-CD1 3.52Å; R949-L953 WeakPolarHBondContact O-CG 3.49Å; R949-L953 PolarHBondContact O-N 3.21Å; F950-L953 PolarHBondContact O-N 3.08Å; L953-T957 WeakPolarHBondContact O-CA 3.35Å; L953-T957 WeakPolarHBondContact O-CB 3.49Å; L953-T957 PolarHBondContact O-N 3.14Å; L953-F958 WeakPolarHBondContact O-CD2 3.09Å; L953-F958 PolarHBondContact O-N 3.04Å
954	L	97	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-47.7	172.8	-63.2	-171.3	0	0	0	111.4	M775 L916 F950 A951 D952 F958 K959 Y962 L970 L974	M775-L954 HydrophobicContact CE-CB 4.21Å; M775-L954 HydrophobicContact SD-CB 4.18Å; M775-L954 HydrophobicContact SD-CD1 3.9Å; L916-L954 HydrophobicContact CD1-CD2 3.94Å; L916-L954 HydrophobicContact CD2-CD2 4.48Å; F950-L954 HydrophobicContact CD1-CD1 4.01Å; F950-L954 HydrophobicContact CD1-CD2 4.38Å; F950-L954 HydrophobicContact CD1-CG 3.97Å; F950-L954 HydrophobicContact CE1-CD1 3.85Å; F950-L954 HydrophobicContact CE1-CD2 3.89Å; F950-L954 HydrophobicContact CE1-CG 3.92Å; F950-L954 WeakPolarHBondContact O-CG 3.18Å; F950-L954 PolarHBondContact O-N 3.39Å; A951-L954 PolarHBondContact O-N 3.23Å; D952-L954 PolarHBondContact O-N 3.01Å; L954-F958 HydrophobicContact CD2-CD2 4.23Å; L954-F958 CarbonylContact O-C 3.55Å; L954-F958 WeakPolarHBondContact O-CA 3.12Å; L954-F958 PolarHBondContact O-N 3.44Å; L954-K959 PolarHBondContact O-N 2.91Å; L954-K959 VanDerWaalsContact O-N 3.15Å; L954-Y962 HydrophobicContact CB-CD2 4.13Å; L954-Y962 HydrophobicContact CB-CG 4.46Å; L954-Y962 HydrophobicContact CD2-CD2 4.1Å; L954-Y962 HydrophobicContact CD2-CE2 3.7Å; L954-Y962 HydrophobicContact CG-CD2 4.49Å; L954-Y962 HydrophobicContact CG-CE2 4.48Å; L954-L970 HydrophobicContact CD1-CD2 3.79Å; L954-L970 HydrophobicContact CD1-CG 4.48Å; L954-L974 HydrophobicContact CD1-CD1 4.28Å
955	S	95.3	Very high	95.9	Very high	50 Å²	50	53 Å²	53	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-72.8	-32.7	-171.4	-58	0	0	0	0	113.3	M775 A951 D952 K959	M775-S955 WeakPolarHBondContact CE-OG 3.2Å; A951-S955 VanDerWaalsContact O-CB 3.27Å; A951-S955 WeakPolarHBondContact O-CB 3.44Å; A951-S955 PolarHBondContact O-N 3.29Å; A951-S955 PolarHBondContact O-OG 2.71Å; D952-S955 PolarHBondContact O-N 3.12Å; S955-K959 WeakPolarHBondContact O-CB 3.5Å
956	A	95	Very high	95.8	Very high	73 Å²	73	46.1 Å²	46.1	60%	0.603	24%	0.244	S	C	*	.	H	α-helix	trans	-86	-64.2	172.8	0	0	0	0	0	111.4	D952	D952-A956 WeakPolarHBondContact O-CB 3.4Å; D952-A956 PolarHBondContact O-N 3.03Å
957	T	95.3	Very high	95.8	Very high	40 Å²	40	47.6 Å²	47.6	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-90.3	-23.6	-160.9	-44.9	0	0	0	0	113.7	R909 V912 L953	R909-T957 PolarHBondContact NH1-O 2.9Å; R909-T957 PolarHBondContact NH2-O 2.75Å; V912-T957 HydrophobicContact CB-CG2 4.32Å; V912-T957 HydrophobicContact CG1-CG2 3.76Å; V912-T957 HydrophobicContact CG2-CG2 4.17Å; L953-T957 WeakPolarHBondContact O-CA 3.35Å; L953-T957 WeakPolarHBondContact O-CB 3.49Å; L953-T957 PolarHBondContact O-N 3.14Å
958	F	96.1	Very high	95.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	21.9	173.3	-57.3	-84.5	0	0	0	112.6	I841 E845 V912 L913 L916 L953 L954 Y960 R961 Y962	I841-F958 HydrophobicContact CG2-CD1 3.95Å; I841-F958 HydrophobicContact CG2-CE1 3.56Å; I841-F958 HydrophobicContact CG2-CZ 4.35Å; E845-F958 HydrophobicContact CG-CE1 4.21Å; E845-F958 VanDerWaalsContact OE1-CE1 3.28Å; E845-F958 WeakPolarHBondContact OE1-CE1 3.37Å; V912-F958 HydrophobicContact CG1-CE2 3.64Å; V912-F958 HydrophobicContact CG1-CZ 3.9Å; L913-F958 HydrophobicContact CD2-CE1 4.24Å; L913-F958 HydrophobicContact CD2-CZ 4.05Å; L916-F958 HydrophobicContact CD1-CE2 4.4Å; L916-F958 HydrophobicContact CD2-CD2 4.48Å; L916-F958 HydrophobicContact CD2-CE2 3.84Å; L916-F958 HydrophobicContact CD2-CZ 4.05Å; L953-F958 WeakPolarHBondContact O-CD2 3.09Å; L953-F958 PolarHBondContact O-N 3.04Å; L954-F958 HydrophobicContact CD2-CD2 4.23Å; L954-F958 CarbonylContact O-C 3.55Å; L954-F958 WeakPolarHBondContact O-CA 3.12Å; L954-F958 PolarHBondContact O-N 3.44Å; F958-Y960 HydrophobicContact CB-CE1 4.47Å; F958-Y960 HydrophobicContact CD1-CE1 4.13Å; F958-Y960 PolarHBondContact O-N 3.35Å; F958-Y960 VanDerWaalsContact O-N 3.11Å; F958-R961 WeakPolarHBondContact O-CA 3.46Å; F958-R961 WeakPolarHBondContact O-CB 3.43Å; F958-R961 PolarHBondContact O-N 3.46Å; F958-Y962 HydrophobicContact CB-CD2 3.72Å; F958-Y962 HydrophobicContact CB-CE2 3.92Å; F958-Y962 PolarHBondContact O-N 2.88Å; F958-Y962 VanDerWaalsContact O-N 3.11Å
959	K	95	Very high	95.7	Very high	124 Å²	124	46 Å²	46	54%	0.539	24%	0.244	S	C	.	.	H	α-helix	trans	-52.2	-36.6	-178.7	-167.5	169.7	-177.1	170.3	0	113.6	L954 S955 R961 Y962 N963	L954-K959 PolarHBondContact O-N 2.91Å; L954-K959 VanDerWaalsContact O-N 3.15Å; S955-K959 WeakPolarHBondContact O-CB 3.5Å; K959-R961 PolarHBondContact O-N 2.93Å; K959-R961 VanDerWaalsContact O-N 3.12Å; K959-Y962 PolarHBondContact O-N 3.36Å; K959-N963 HydrophobicContact CG-CB 4.35Å; K959-N963 VanDerWaalsContact O-CB 3.23Å; K959-N963 WeakPolarHBondContact O-CB 3.19Å; K959-N963 PolarHBondContact O-N 3.2Å
960	Y	93.9	Very high	95.7	Very high	67 Å²	67	41.8 Å²	41.8	26%	0.263	23%	0.229	S	C	.	.	H	α-helix	trans	-56.3	-27.2	175.4	77.5	-89.3	0	0	0	113.2	D844 E845 V849 F958	D844-Y960 HydrophobicContact CB-CE2 4.12Å; D844-Y960 WeakPolarHBondContact CB-OH 3.22Å; E845-Y960 PolarHBondContact OE1-OH 2.92Å; V849-Y960 HydrophobicContact CB-CD2 4.41Å; V849-Y960 HydrophobicContact CB-CE2 4.02Å; V849-Y960 HydrophobicContact CG1-CD2 3.96Å; V849-Y960 HydrophobicContact CG1-CE2 3.92Å; F958-Y960 HydrophobicContact CB-CE1 4.47Å; F958-Y960 HydrophobicContact CD1-CE1 4.13Å; F958-Y960 PolarHBondContact O-N 3.35Å; F958-Y960 VanDerWaalsContact O-N 3.11Å
961	R	94.7	Very high	95.7	Very high	47 Å²	47	41.6 Å²	41.6	18%	0.177	23%	0.228	C	C	.	.	H	α-helix	trans	-98.1	-36.7	179.2	-173	169.3	-176.5	74.6	20.6	113.3	E837 K840 D844 F958 K959 K965	E837-R961 IonicContact OE1-CZ 3.37Å; E837-R961 IonicContact OE1-NE 2.78Å; E837-R961 PolarHBondContact OE1-NE 3.06Å; E837-R961 IonicContact OE1-NH2 2.71Å; E837-R961 PolarHBondContact OE1-NH2 3.44Å; E837-R961 IonicContact OE2-NH2 3.47Å; K840-R961 VanDerWaalsContact CD-NH2 3.29Å; D844-R961 IonicContact OD2-CZ 3.01Å; D844-R961 IonicContact OD2-NH1 2.71Å; D844-R961 PolarHBondContact OD2-NH1 3.28Å; F958-R961 WeakPolarHBondContact O-CA 3.46Å; F958-R961 WeakPolarHBondContact O-CB 3.43Å; F958-R961 PolarHBondContact O-N 3.46Å; K959-R961 PolarHBondContact O-N 2.93Å; K959-R961 VanDerWaalsContact O-N 3.12Å; R961-K965 WeakPolarHBondContact O-CE 3.42Å
962	Y	95.6	Very high	95.7	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-104.3	-5.1	-171	-66.3	-75.8	0	0	0	116	E837 L954 F958 K959 G964 K965 L970	E837-Y962 WeakPolarHBondContact CG-OH 3.35Å; L954-Y962 HydrophobicContact CB-CD2 4.13Å; L954-Y962 HydrophobicContact CB-CG 4.46Å; L954-Y962 HydrophobicContact CD2-CD2 4.1Å; L954-Y962 HydrophobicContact CD2-CE2 3.7Å; L954-Y962 HydrophobicContact CG-CD2 4.49Å; L954-Y962 HydrophobicContact CG-CE2 4.48Å; F958-Y962 HydrophobicContact CB-CD2 3.72Å; F958-Y962 HydrophobicContact CB-CE2 3.92Å; F958-Y962 PolarHBondContact O-N 2.88Å; F958-Y962 VanDerWaalsContact O-N 3.11Å; K959-Y962 PolarHBondContact O-N 3.36Å; Y962-G964 PolarHBondContact O-N 3.49Å; Y962-K965 CarbonylContact C-O 3.34Å; Y962-K965 WeakPolarHBondContact CA-O 3.43Å; Y962-K965 WeakPolarHBondContact CD1-O 3.47Å; Y962-K965 PolarHBondContact O-N 3.41Å; Y962-K965 VanDerWaalsContact O-N 3.11Å; Y962-K965 VanDerWaalsContact O-O 3.07Å; Y962-L970 HydrophobicContact CE1-CD2 3.86Å
963	N	91.5	Very high	95.8	Very high	121 Å²	121	38.5 Å²	38.5	65%	0.647	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	115.7	175.1	-172.4	36.1	0	0	0	111.4	K959 K965	K959-N963 HydrophobicContact CG-CB 4.35Å; K959-N963 VanDerWaalsContact O-CB 3.23Å; K959-N963 WeakPolarHBondContact O-CB 3.19Å; K959-N963 PolarHBondContact O-N 3.2Å; N963-K965 PolarHBondContact O-N 3.05Å
964	G	90.9	Very high	95.8	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	10.9	-179.3	0	0	0	0	0	116	Y962	Y962-G964 PolarHBondContact O-N 3.49Å
965	K	94	Very high	95.9	Very high	113 Å²	113	38.7 Å²	38.7	49%	0.491	21%	0.213	S	C	.	.			trans	-154.7	132	178.8	65.7	-159	175.1	-162.1	0	114	R768 A772 R961 Y962 N963	R768-K965 HydrophobicContact CG-CB 4.4Å; A772-K965 VanDerWaalsContact CB-N 3.34Å; R961-K965 WeakPolarHBondContact O-CE 3.42Å; Y962-K965 CarbonylContact C-O 3.34Å; Y962-K965 WeakPolarHBondContact CA-O 3.43Å; Y962-K965 WeakPolarHBondContact CD1-O 3.47Å; Y962-K965 PolarHBondContact O-N 3.41Å; Y962-K965 VanDerWaalsContact O-N 3.11Å; Y962-K965 VanDerWaalsContact O-O 3.07Å; N963-K965 PolarHBondContact O-N 3.05Å
966	I	96.6	Very high	96	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.197	C	C	.	.			trans	-129.5	158.4	170.3	-167.8	164.4	0	0	0	109.7	I760 A771 A772 M775 L970 H971 L974	I760-I966 HydrophobicContact CD1-CG2 3.41Å; I760-I966 VanDerWaalsContact CD1-CG2 3.41Å; A771-I966 HydrophobicContact CB-CG2 4.03Å; A772-I966 HydrophobicContact CB-CB 4.36Å; A772-I966 HydrophobicContact CB-CG2 4.42Å; M775-I966 HydrophobicContact CB-CD1 4.31Å; M775-I966 HydrophobicContact CG-CD1 4.01Å; M775-I966 HydrophobicContact SD-CD1 4.05Å; I966-L970 HydrophobicContact CD1-CG 4.31Å; I966-L970 HydrophobicContact CG1-CB 4.17Å; I966-L970 HydrophobicContact CG1-CD2 4.26Å; I966-L970 HydrophobicContact CG1-CG 4.31Å; I966-H971 HydrophobicContact CD1-CB 4.2Å; I966-H971 HydrophobicContact CG1-CB 4.45Å; I966-H971 HydrophobicContact CG2-CB 4.17Å; I966-L974 HydrophobicContact CD1-CD1 4.4Å
967	T	96.9	Very high	96.2	Very high	37 Å²	37	32.9 Å²	32.9	23%	0.227	17%	0.168	C	C	.	.			trans	-87	146.5	173.8	65.4	0	0	0	0	110.8	E837 Y969 L970 H971	E837-T967 HydrophobicContact CG-CG2 4.05Å; E837-T967 WeakPolarHBondContact OE2-CG2 3.31Å; T967-Y969 VanDerWaalsContact C-N 3.34Å; T967-Y969 PolarHBondContact O-N 3.4Å; T967-L970 PolarHBondContact O-N 3.29Å; T967-L970 WeakPolarHBondContact OG1-CB 3.35Å; T967-H971 PolarHBondContact O-N 3.33Å
968	N	97.4	Very high	96.3	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-45	-172.6	-53	10.2	0	0	0	112	E743 S755 I760 R768 K972	E743-N968 PolarHBondContact OE1-ND2 2.96Å; S755-N968 PolarHBondContact O-ND2 3.17Å; I760-N968 VanDerWaalsContact O-CB 3.32Å; I760-N968 WeakPolarHBondContact O-CB 3.4Å; I760-N968 VanDerWaalsContact O-CG 3.27Å; I760-N968 PolarHBondContact O-ND2 3.06Å; R768-N968 PolarHBondContact NH2-OD1 3.38Å; N968-K972 WeakPolarHBondContact O-CG 3.49Å; N968-K972 PolarHBondContact O-N 3.16Å
969	Y	97.6	Very high	96.4	Very high	34 Å²	34	35.7 Å²	35.7	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-34.6	175.7	-74.6	-69.5	0	0	0	113.8	E743 L825 H829 C830 T967 K972 T973	E743-Y969 WeakPolarHBondContact CB-OH 3.33Å; E743-Y969 PolarHBondContact N-OH 3.37Å; L825-Y969 HydrophobicContact CD1-CD1 4.45Å; H829-Y969 HydrophobicContact CB-CE1 4.16Å; H829-Y969 HydrophobicContact CB-CE2 4.35Å; H829-Y969 VanDerWaalsContact CB-OH 3.25Å; H829-Y969 WeakPolarHBondContact CB-OH 3.44Å; C830-Y969 HydrophobicContact CB-CD1 3.89Å; C830-Y969 HydrophobicContact CB-CE1 4.37Å; T967-Y969 VanDerWaalsContact C-N 3.34Å; T967-Y969 PolarHBondContact O-N 3.4Å; Y969-K972 PolarHBondContact O-N 2.91Å; Y969-T973 WeakPolarHBondContact O-CB 2.99Å; Y969-T973 PolarHBondContact O-N 3.09Å; Y969-T973 PolarHBondContact O-OG1 2.83Å
970	L	97.5	Very high	96.5	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-70.7	-42.9	179.6	-171.6	58.8	0	0	0	110.9	F950 L954 Y962 I966 T967 T973 L974	F950-L970 HydrophobicContact CE1-CD1 3.96Å; L954-L970 HydrophobicContact CD1-CD2 3.79Å; L954-L970 HydrophobicContact CD1-CG 4.48Å; Y962-L970 HydrophobicContact CE1-CD2 3.86Å; I966-L970 HydrophobicContact CD1-CG 4.31Å; I966-L970 HydrophobicContact CG1-CB 4.17Å; I966-L970 HydrophobicContact CG1-CD2 4.26Å; I966-L970 HydrophobicContact CG1-CG 4.31Å; T967-L970 PolarHBondContact O-N 3.29Å; T967-L970 WeakPolarHBondContact OG1-CB 3.35Å; L970-T973 PolarHBondContact O-N 3.27Å; L970-L974 HydrophobicContact CD1-CD1 4.27Å; L970-L974 HydrophobicContact CD1-CG 4.37Å; L970-L974 HydrophobicContact CG-CD1 4.12Å; L970-L974 WeakPolarHBondContact O-CB 3.28Å; L970-L974 VanDerWaalsContact O-CG 3.29Å; L970-L974 WeakPolarHBondContact O-CG 3.45Å; L970-L974 PolarHBondContact O-N 3.2Å
971	H	97.9	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-49.9	169.1	162.2	62.3	0	0	0	111.8	I760 C761 H778 I966 T967 T973 L974 A975 H976	I760-H971 HydrophobicContact CD1-CB 3.55Å; I760-H971 HydrophobicContact CG1-CB 4.5Å; C761-H971 WeakPolarHBondContact CB-NE2 3.36Å; H778-H971 AromaticContact CE1-CE1 3.64Å; H778-H971 AromaticContact CE1-ND1 3.46Å; H778-H971 PolarHBondContact CE1-ND1 2.98Å; H778-H971 AromaticContact CG-CE1 3.83Å; H778-H971 AromaticContact ND1-CE1 3.36Å; H778-H971 PolarHBondContact ND1-CE1 2.97Å; H778-H971 AromaticContact ND1-ND1 3.79Å; I966-H971 HydrophobicContact CD1-CB 4.2Å; I966-H971 HydrophobicContact CG1-CB 4.45Å; I966-H971 HydrophobicContact CG2-CB 4.17Å; T967-H971 PolarHBondContact O-N 3.33Å; H971-T973 VanDerWaalsContact C-N 3.26Å; H971-T973 PolarHBondContact O-N 3.15Å; H971-L974 PolarHBondContact O-N 2.95Å; H971-L974 VanDerWaalsContact O-N 3.17Å; H971-A975 PolarHBondContact O-N 3.34Å; H971-H976 AromaticContact CE1-NE2 3.49Å; H971-H976 PolarHBondContact CE1-NE2 2.73Å; H971-H976 AromaticContact NE2-CD2 3.73Å; H971-H976 AromaticContact NE2-NE2 3.25Å; H971-H976 PolarHBondContact NE2-NE2 3.11Å
972	K	98.2	Very high	96.7	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-37.2	177.5	-73.9	174.3	170.1	179.7	0	113.2	E743 T762 L763 L825 N968 Y969 H976	E743-K972 WeakPolarHBondContact OE2-CE 3.3Å; E743-K972 IonicContact OE2-NZ 3.41Å; E743-K972 PolarHBondContact OE2-NZ 3.25Å; T762-K972 VanDerWaalsContact OG1-CE 3.25Å; T762-K972 WeakPolarHBondContact OG1-CE 3.26Å; T762-K972 PolarHBondContact OG1-NZ 2.75Å; L763-K972 HydrophobicContact CD1-CG 4.49Å; L825-K972 HydrophobicContact CD1-CB 3.58Å; L825-K972 HydrophobicContact CD1-CD 4.3Å; N968-K972 WeakPolarHBondContact O-CG 3.49Å; N968-K972 PolarHBondContact O-N 3.16Å; Y969-K972 PolarHBondContact O-N 2.91Å; K972-H976 PolarHBondContact O-N 2.92Å
973	T	98.1	Very high	96.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-46.1	176.1	-53.6	0	0	0	0	111	C830 N834 W927 Y943 Y969 L970 H971	C830-T973 PolarHBondContact SG-OG1 3.18Å; C830-T973 VanDerWaalsContact SG-OG1 3.39Å; N834-T973 PolarHBondContact ND2-OG1 3.22Å; W927-T973 HydrophobicContact CE3-CG2 3.97Å; W927-T973 HydrophobicContact CH2-CG2 3.5Å; W927-T973 VanDerWaalsContact CH2-CG2 3.5Å; W927-T973 HydrophobicContact CZ2-CG2 4.11Å; W927-T973 HydrophobicContact CZ3-CG2 3.41Å; W927-T973 VanDerWaalsContact CZ3-CG2 3.41Å; Y943-T973 WeakPolarHBondContact OH-CG2 3.32Å; Y943-T973 PolarHBondContact OH-O 2.83Å; Y969-T973 WeakPolarHBondContact O-CB 2.99Å; Y969-T973 PolarHBondContact O-N 3.09Å; Y969-T973 PolarHBondContact O-OG1 2.83Å; L970-T973 PolarHBondContact O-N 3.27Å; H971-T973 VanDerWaalsContact C-N 3.26Å; H971-T973 PolarHBondContact O-N 3.15Å
974	L	98.3	Very high	96.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-76.4	-35.2	-172.6	-69.2	177.3	0	0	0	113.8	M775 V776 M923 S947 F950 L954 I966 L970 H971	M775-L974 HydrophobicContact CB-CD1 4.17Å; M775-L974 WeakPolarHBondContact O-CB 3.37Å; M775-L974 HydrophobicContact SD-CD1 4.42Å; V776-L974 HydrophobicContact CG1-CB 3.95Å; M923-L974 HydrophobicContact CE-CD2 4.09Å; S947-L974 WeakPolarHBondContact CB-O 3.46Å; S947-L974 PolarHBondContact OG-O 3.44Å; F950-L974 HydrophobicContact CB-CD2 4.04Å; F950-L974 HydrophobicContact CD1-CD1 4.23Å; F950-L974 HydrophobicContact CD1-CD2 3.78Å; F950-L974 HydrophobicContact CG-CD2 4.11Å; L954-L974 HydrophobicContact CD1-CD1 4.28Å; I966-L974 HydrophobicContact CD1-CD1 4.4Å; L970-L974 HydrophobicContact CD1-CD1 4.27Å; L970-L974 HydrophobicContact CD1-CG 4.37Å; L970-L974 HydrophobicContact CG-CD1 4.12Å; L970-L974 WeakPolarHBondContact O-CB 3.28Å; L970-L974 VanDerWaalsContact O-CG 3.29Å; L970-L974 WeakPolarHBondContact O-CG 3.45Å; L970-L974 PolarHBondContact O-N 3.2Å; H971-L974 PolarHBondContact O-N 2.95Å; H971-L974 VanDerWaalsContact O-N 3.17Å
975	A	97.9	Very high	97.1	Very high	10 Å²	10	32 Å²	32	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-95.9	-56	-176.4	0	0	0	0	0	114	H778 H971	H778-A975 HydrophobicContact CB-CB 4.13Å; H971-A975 PolarHBondContact O-N 3.34Å
976	H	98.3	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.4	-159.1	-61.6	-71.1	0	0	0	115.4	L763 C764 S779 H971 K972 E979 I980	L763-H976 HydrophobicContact CD1-CB 3.73Å; C764-H976 PolarHBondContact SG-NE2 2.85Å; C764-H976 VanDerWaalsContact SG-NE2 3.35Å; S779-H976 PolarHBondContact O-CE1 3.47Å; H971-H976 AromaticContact CE1-NE2 3.49Å; H971-H976 PolarHBondContact CE1-NE2 2.73Å; H971-H976 AromaticContact NE2-CD2 3.73Å; H971-H976 AromaticContact NE2-NE2 3.25Å; H971-H976 PolarHBondContact NE2-NE2 3.11Å; K972-H976 PolarHBondContact O-N 2.92Å; H976-E979 PolarHBondContact O-N 3.31Å; H976-I980 HydrophobicContact CB-CD1 4.06Å; H976-I980 WeakPolarHBondContact O-CD1 3.34Å; H976-I980 VanDerWaalsContact O-CG1 3.25Å; H976-I980 WeakPolarHBondContact O-CG1 3.41Å; H976-I980 PolarHBondContact O-N 2.97Å; H976-I980 VanDerWaalsContact O-N 3.12Å
977	V	98.3	Very high	97.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-41.7	-174.4	166.9	0	0	0	0	114.4	V926 W927 Y943 I981 I987	V926-V977 HydrophobicContact CG1-CG1 4.26Å; W927-V977 HydrophobicContact CB-CG1 4.21Å; W927-V977 HydrophobicContact CB-CG2 4.42Å; Y943-V977 HydrophobicContact CD2-CG1 4.41Å; Y943-V977 HydrophobicContact CE1-CB 3.79Å; Y943-V977 HydrophobicContact CE1-CG1 3.9Å; Y943-V977 HydrophobicContact CE2-CB 4.47Å; Y943-V977 HydrophobicContact CE2-CG1 3.77Å; Y943-V977 VanDerWaalsContact CZ-CG1 3.48Å; V977-I981 HydrophobicContact CG1-CD1 3.73Å; V977-I981 WeakPolarHBondContact O-CG1 3.39Å; V977-I981 PolarHBondContact O-N 3.35Å; V977-I987 HydrophobicContact CB-CD1 4.37Å; V977-I987 HydrophobicContact CG1-CD1 4.04Å; V977-I987 HydrophobicContact CG2-CD1 4.14Å
978	P	97.3	Very high	97.1	Very high	35 Å²	35	25 Å²	25	23%	0.227	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-50.2	176.7	-25	36	0	0	0	112.7	Y943 I980 I981 E982	Y943-P978 HydrophobicContact CD1-CG 3.67Å; Y943-P978 HydrophobicContact CE1-CG 4.26Å; Y943-P978 HydrophobicContact CG-CG 4.43Å; P978-I980 PolarHBondContact O-N 2.83Å; P978-I981 PolarHBondContact O-N 3.07Å; P978-I981 VanDerWaalsContact O-N 3.08Å; P978-E982 PolarHBondContact O-N 3.47Å
979	E	97.9	Very high	97	Very high	65 Å²	65	24.6 Å²	24.6	30%	0.304	13%	0.128	S	C	.	.	H	α-helix	trans	-61.4	-41.5	-177.8	-171	-177.6	158.3	0	0	112	S779 I780 H976 I981 E982 R983	S779-E979 VanDerWaalsContact CA-OE2 3.29Å; S779-E979 WeakPolarHBondContact CA-OE2 3.04Å; I780-E979 VanDerWaalsContact CB-OE1 3.24Å; I780-E979 WeakPolarHBondContact CB-OE1 3.37Å; I780-E979 HydrophobicContact CD1-CG 4.19Å; I780-E979 HydrophobicContact CG1-CG 4.4Å; I780-E979 WeakPolarHBondContact CG1-OE1 3.24Å; I780-E979 PolarHBondContact N-OE1 2.86Å; I780-E979 VanDerWaalsContact N-OE1 3.15Å; I780-E979 PolarHBondContact N-OE2 2.93Å; H976-E979 PolarHBondContact O-N 3.31Å; E979-I981 VanDerWaalsContact C-N 3.33Å; E979-I981 PolarHBondContact O-N 3.31Å; E979-E982 PolarHBondContact O-N 3.15Å; E979-R983 WeakPolarHBondContact O-CB 3.41Å; E979-R983 PolarHBondContact O-N 3.05Å; E979-R983 VanDerWaalsContact O-N 3.08Å
980	I	97.8	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-38.9	175.2	-62	164.6	0	0	0	111	L763 I780 T824 L825 H976 P978 R983 D984 I987	L763-I980 HydrophobicContact CD1-CD1 3.94Å; I780-I980 HydrophobicContact CD1-CG1 3.82Å; T824-I980 VanDerWaalsContact OG1-CG2 3.28Å; T824-I980 WeakPolarHBondContact OG1-CG2 3.49Å; L825-I980 HydrophobicContact CB-CD1 4.22Å; H976-I980 HydrophobicContact CB-CD1 4.06Å; H976-I980 WeakPolarHBondContact O-CD1 3.34Å; H976-I980 VanDerWaalsContact O-CG1 3.25Å; H976-I980 WeakPolarHBondContact O-CG1 3.41Å; H976-I980 PolarHBondContact O-N 2.97Å; H976-I980 VanDerWaalsContact O-N 3.12Å; P978-I980 PolarHBondContact O-N 2.83Å; I980-R983 PolarHBondContact O-N 3.22Å; I980-D984 VanDerWaalsContact O-CB 3.28Å; I980-D984 WeakPolarHBondContact O-CB 3.44Å; I980-D984 PolarHBondContact O-N 2.61Å; I980-I987 HydrophobicContact CB-CD1 4.04Å; I980-I987 HydrophobicContact CB-CG1 4.29Å; I980-I987 HydrophobicContact CD1-CD1 4.46Å; I980-I987 HydrophobicContact CG2-CD1 3.87Å; I980-I987 HydrophobicContact CG2-CG1 3.6Å
981	I	97.2	Very high	97	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.056	13%	0.125	C	C	.	.	H	α-helix	trans	-75.7	-34.6	-178.4	-70.5	170	0	0	0	111.9	V926 P932 L940 V977 P978 E979 R983 G985 I987	V926-I981 HydrophobicContact CB-CD1 4.5Å; V926-I981 HydrophobicContact CG1-CD1 3.32Å; V926-I981 VanDerWaalsContact O-CD1 3.3Å; V926-I981 WeakPolarHBondContact O-CD1 3.36Å; P932-I981 HydrophobicContact CG-CD1 4.21Å; P932-I981 HydrophobicContact CG-CG1 4.48Å; P932-I981 HydrophobicContact CG-CG2 3.8Å; L940-I981 HydrophobicContact CD1-CD1 4.48Å; L940-I981 HydrophobicContact CD1-CG2 3.87Å; L940-I981 HydrophobicContact CD2-CG2 4.27Å; V977-I981 HydrophobicContact CG1-CD1 3.73Å; V977-I981 WeakPolarHBondContact O-CG1 3.39Å; V977-I981 PolarHBondContact O-N 3.35Å; P978-I981 PolarHBondContact O-N 3.07Å; P978-I981 VanDerWaalsContact O-N 3.08Å; E979-I981 VanDerWaalsContact C-N 3.33Å; E979-I981 PolarHBondContact O-N 3.31Å; I981-R983 VanDerWaalsContact C-N 3.33Å; I981-G985 WeakPolarHBondContact O-CA 3.39Å; I981-G985 PolarHBondContact O-N 2.92Å; I981-I987 HydrophobicContact CD1-CD1 4.03Å; I981-I987 HydrophobicContact CD1-CG1 4.31Å; I981-I987 HydrophobicContact CG1-CD1 3.81Å; I981-I987 HydrophobicContact CG1-CG1 3.75Å
982	E	96.6	Very high	96.9	Very high	176 Å²	176	24.1 Å²	24.1	82%	0.822	13%	0.127	S	C	*	.	H	α-helix	trans	-62	-41.5	171.7	-173.2	167.4	-165.2	0	0	111.3	P978 E979	P978-E982 PolarHBondContact O-N 3.47Å; E979-E982 PolarHBondContact O-N 3.15Å
983	R	95.9	Very high	96.7	Very high	96 Å²	96	25.4 Å²	25.4	36%	0.362	13%	0.133	S	C	.	.	H	α-helix	trans	-77.6	-44.7	179.1	-170.9	-166.2	69.7	-150	-2.3	114.7	P823 E979 I980 I981	P823-R983 PolarHBondContact O-NH1 3.07Å; P823-R983 PolarHBondContact O-NH2 3.26Å; E979-R983 WeakPolarHBondContact O-CB 3.41Å; E979-R983 PolarHBondContact O-N 3.05Å; E979-R983 VanDerWaalsContact O-N 3.08Å; I980-R983 PolarHBondContact O-N 3.22Å; I981-R983 VanDerWaalsContact C-N 3.33Å
984	D	94.4	Very high	96.4	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-103.4	-7.1	-170.1	-63.8	-22.2	0	0	0	113.7	R737 Q822 I980 S986	R737-D984 IonicContact CZ-OD1 3.72Å; R737-D984 IonicContact NH1-OD1 2.77Å; R737-D984 IonicContact NH2-OD1 3.65Å; Q822-D984 PolarHBondContact NE2-OD1 3.25Å; Q822-D984 PolarHBondContact NE2-OD2 3.15Å; I980-D984 VanDerWaalsContact O-CB 3.28Å; I980-D984 WeakPolarHBondContact O-CB 3.44Å; I980-D984 PolarHBondContact O-N 2.61Å; D984-S986 PolarHBondContact O-N 3.07Å
985	G	95	Very high	96.2	Very high	39 Å²	39	25.2 Å²	25.2	40%	0.402	13%	0.133	S	C	.	.	S	Bend	trans	70.4	-16.9	-175.4	0	0	0	0	0	115.1	P932 I981	P932-G985 WeakPolarHBondContact CD-O 3.21Å; I981-G985 WeakPolarHBondContact O-CA 3.39Å; I981-G985 PolarHBondContact O-N 2.92Å
986	S	96.4	Very high	95.9	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.042	15%	0.145	C	C	.	.			trans	-163.8	153.7	-175.5	-174.8	0	0	0	0	111.3	A929 T930 D984 G988 A989 W990	A929-S986 PolarHBondContact O-OG 2.87Å; T930-S986 WeakPolarHBondContact O-CB 3.33Å; T930-S986 PolarHBondContact O-OG 3.38Å; D984-S986 PolarHBondContact O-N 3.07Å; S986-G988 PolarHBondContact OG-N 2.86Å; S986-A989 WeakPolarHBondContact OG-CB 3.02Å; S986-A989 PolarHBondContact OG-N 2.78Å; S986-W990 VanDerWaalsContact O-CD1 3.28Å
987	I	97.4	Very high	95.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-112.6	-41.1	164.6	-62.1	174.9	0	0	0	109.9	L825 A827 W927 V977 I980 I981 A989 W990 A991	L825-I987 HydrophobicContact CD2-CG2 3.8Å; L825-I987 VanDerWaalsContact O-CG2 3.23Å; L825-I987 WeakPolarHBondContact O-CG2 3.4Å; A827-I987 HydrophobicContact CB-CG2 4.19Å; W927-I987 HydrophobicContact CB-CB 4.28Å; W927-I987 HydrophobicContact CB-CD1 4.01Å; W927-I987 HydrophobicContact CB-CG2 4.33Å; V977-I987 HydrophobicContact CB-CD1 4.37Å; V977-I987 HydrophobicContact CG1-CD1 4.04Å; V977-I987 HydrophobicContact CG2-CD1 4.14Å; I980-I987 HydrophobicContact CB-CD1 4.04Å; I980-I987 HydrophobicContact CB-CG1 4.29Å; I980-I987 HydrophobicContact CD1-CD1 4.46Å; I980-I987 HydrophobicContact CG2-CD1 3.87Å; I980-I987 HydrophobicContact CG2-CG1 3.6Å; I981-I987 HydrophobicContact CD1-CD1 4.03Å; I981-I987 HydrophobicContact CD1-CG1 4.31Å; I981-I987 HydrophobicContact CG1-CD1 3.81Å; I981-I987 HydrophobicContact CG1-CG1 3.75Å; I987-A989 VanDerWaalsContact C-N 3.3Å; I987-A989 PolarHBondContact O-N 2.7Å; I987-W990 PolarHBondContact O-N 2.93Å; I987-A991 PolarHBondContact O-N 2.84Å
988	G	94.5	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.7	-34	-174.6	0	0	0	0	0	113.9	N681 W927 A929 S986 W990	N681-G988 PolarHBondContact ND2-O 3Å; W927-G988 PolarHBondContact O-N 3.42Å; A929-G988 WeakPolarHBondContact O-CA 3.48Å; A929-G988 PolarHBondContact O-N 3.25Å; S986-G988 PolarHBondContact OG-N 2.86Å; G988-W990 VanDerWaalsContact C-N 3.33Å
989	A	95.8	Very high	95.3	Very high	10 Å²	10	28.5 Å²	28.5	8%	0.083	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68.7	-30.8	175.5	0	0	0	0	0	113.1	K628 M659 P680 T930 S986 I987	K628-A989 PolarHBondContact NZ-O 2.92Å; M659-A989 HydrophobicContact CE-CB 4.04Å; M659-A989 WeakPolarHBondContact CE-O 3.34Å; P680-A989 HydrophobicContact CG-CB 4.01Å; T930-A989 HydrophobicContact CG2-CB 4.26Å; S986-A989 WeakPolarHBondContact OG-CB 3.02Å; S986-A989 PolarHBondContact OG-N 2.78Å; I987-A989 VanDerWaalsContact C-N 3.3Å; I987-A989 PolarHBondContact O-N 2.7Å
990	W	97	Very high	95.1	Very high	25 Å²	25	31.9 Å²	31.9	10%	0.095	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-91	0.1	-173.6	-63.3	100.2	0	0	0	113.9	M626 K628 M659 R737 T739 S986 I987 G988	M626-W990 HydrophobicContact CB-CH2 4.47Å; M626-W990 HydrophobicContact CE-CH2 4.33Å; K628-W990 HydrophobicContact CB-CE3 3.99Å; K628-W990 HydrophobicContact CB-CZ3 3.9Å; K628-W990 HydrophobicContact CD-CE3 4.19Å; K628-W990 WeakPolarHBondContact CD-O 3.35Å; K628-W990 HydrophobicContact CG-CE3 4.25Å; M659-W990 HydrophobicContact CB-CH2 3.96Å; M659-W990 HydrophobicContact CB-CZ3 4.31Å; M659-W990 HydrophobicContact CE-CD2 4.16Å; M659-W990 HydrophobicContact CE-CE3 4.22Å; M659-W990 HydrophobicContact CE-CH2 4.33Å; M659-W990 HydrophobicContact CE-CZ2 4.3Å; M659-W990 HydrophobicContact CE-CZ3 4.31Å; M659-W990 HydrophobicContact CG-CE3 4.32Å; M659-W990 HydrophobicContact CG-CH2 3.83Å; M659-W990 HydrophobicContact CG-CZ3 3.67Å; R737-W990 HydrophobicContact CB-CE3 4.19Å; R737-W990 HydrophobicContact CB-CH2 4.41Å; R737-W990 HydrophobicContact CB-CZ3 3.73Å; R737-W990 HydrophobicContact CG-CZ3 4.3Å; T739-W990 WeakPolarHBondContact CB-O 3.47Å; T739-W990 HydrophobicContact CG2-CB 4.14Å; T739-W990 HydrophobicContact CG2-CD2 4.46Å; T739-W990 HydrophobicContact CG2-CE3 4.03Å; T739-W990 PolarHBondContact OG1-O 2.82Å; S986-W990 VanDerWaalsContact O-CD1 3.28Å; I987-W990 PolarHBondContact O-N 2.93Å; G988-W990 VanDerWaalsContact C-N 3.33Å
991	A	96.1	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-63.8	161.8	-177.7	0	0	0	0	0	115	K628 N681 A827 I987 E993	K628-A991 PolarHBondContact NZ-O 3.14Å; N681-A991 PolarHBondContact OD1-O 3.2Å; A827-A991 HydrophobicContact CB-CB 3.75Å; I987-A991 PolarHBondContact O-N 2.84Å; A991-E993 VanDerWaalsContact C-N 3.27Å; A991-E993 PolarHBondContact O-N 3.01Å
992	S	95.8	Very high	95	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.042	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.5	174.9	69.3	0	0	0	0	114.5	D826 G994 N995 E996	D826-S992 WeakPolarHBondContact OD1-CB 3.29Å; D826-S992 PolarHBondContact OD1-N 3.22Å; D826-S992 PolarHBondContact OD1-OG 3.42Å; D826-S992 PolarHBondContact OD2-OG 3.49Å; S992-G994 PolarHBondContact O-N 3.11Å; S992-G994 VanDerWaalsContact O-N 3.12Å; S992-N995 WeakPolarHBondContact O-CA 3.45Å; S992-N995 WeakPolarHBondContact O-CB 3.38Å; S992-N995 PolarHBondContact O-N 2.94Å; S992-E996 PolarHBondContact O-N 3.42Å
993	E	94.4	Very high	95	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-27.6	-169	-167.9	162	-163.8	0	0	113.4	N681 L828 R889 R928 A991 S997	N681-E993 HydrophobicContact CB-CB 4.26Å; L828-E993 HydrophobicContact CB-CB 4.3Å; L828-E993 HydrophobicContact CD1-CG 4.44Å; L828-E993 HydrophobicContact CD2-CB 4.1Å; L828-E993 HydrophobicContact CD2-CG 4.27Å; R889-E993 IonicContact NH2-OE1 2.62Å; R889-E993 PolarHBondContact NH2-OE1 3.46Å; R928-E993 IonicContact CZ-OE2 3.69Å; R928-E993 VanDerWaalsContact CZ-OE2 3.24Å; R928-E993 IonicContact NH1-OE2 2.65Å; R928-E993 PolarHBondContact NH1-OE2 3.34Å; R928-E993 IonicContact NH2-OE1 2.79Å; R928-E993 IonicContact NH2-OE2 2.75Å; R928-E993 PolarHBondContact NH2-OE2 3.06Å; A991-E993 VanDerWaalsContact C-N 3.27Å; A991-E993 PolarHBondContact O-N 3.01Å; E993-S997 VanDerWaalsContact O-CB 3.24Å; E993-S997 WeakPolarHBondContact O-CB 3.45Å; E993-S997 PolarHBondContact O-N 3.32Å; E993-S997 PolarHBondContact O-OG 3.37Å
994	G	91.9	Very high	95	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-70.1	-37.8	169.3	0	0	0	0	0	113.7	N681 S992 A998	N681-G994 VanDerWaalsContact C-CA 3.47Å; N681-G994 WeakPolarHBondContact O-CA 3.38Å; S992-G994 PolarHBondContact O-N 3.11Å; S992-G994 VanDerWaalsContact O-N 3.12Å; G994-A998 PolarHBondContact O-N 2.77Å; G994-A998 VanDerWaalsContact O-N 3.16Å
995	N	94.7	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-50.8	176.4	-158.9	33.6	0	0	0	110.6	C630 D632 R653 S992 S997 A998 N999	C630-N995 HydrophobicContact CB-CB 3.71Å; C630-N995 VanDerWaalsContact CB-CG 3.43Å; C630-N995 WeakPolarHBondContact CB-ND2 3.3Å; D632-N995 VanDerWaalsContact CB-ND2 3.31Å; D632-N995 WeakPolarHBondContact CB-ND2 3.16Å; R653-N995 PolarHBondContact NH1-OD1 3.43Å; R653-N995 PolarHBondContact NH2-O 3.05Å; R653-N995 PolarHBondContact NH2-OD1 3.47Å; S992-N995 WeakPolarHBondContact O-CA 3.45Å; S992-N995 WeakPolarHBondContact O-CB 3.38Å; S992-N995 PolarHBondContact O-N 2.94Å; N995-S997 VanDerWaalsContact C-N 3.26Å; N995-S997 PolarHBondContact O-N 2.98Å; N995-A998 WeakPolarHBondContact O-CA 3.21Å; N995-A998 WeakPolarHBondContact O-CB 3.46Å; N995-A998 PolarHBondContact O-N 2.8Å; N995-N999 PolarHBondContact O-N 3.16Å
996	E	92.4	Very high	95.2	Very high	74 Å²	74	26.6 Å²	26.6	35%	0.346	12%	0.12	S	C	.	.	H	α-helix	trans	-60	-35.3	176	-98.4	-84.4	-117.7	0	0	112.3	L828 S992 A998 N999	L828-E996 HydrophobicContact CD2-CB 3.94Å; L828-E996 HydrophobicContact CD2-CG 4.06Å; S992-E996 PolarHBondContact O-N 3.42Å; E996-A998 VanDerWaalsContact C-N 3.28Å; E996-A998 PolarHBondContact O-N 3.2Å; E996-N999 WeakPolarHBondContact O-CB 3.45Å; E996-N999 PolarHBondContact O-N 3.33Å; E996-N999 PolarHBondContact OE2-ND2 3.31Å
997	S	91.6	Very high	95.2	Very high	33 Å²	33	34 Å²	34	23%	0.231	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-31.3	172.6	-63.6	0	0	0	0	112.9	E993 N995 K1000	E993-S997 VanDerWaalsContact O-CB 3.24Å; E993-S997 WeakPolarHBondContact O-CB 3.45Å; E993-S997 PolarHBondContact O-N 3.32Å; E993-S997 PolarHBondContact O-OG 3.37Å; N995-S997 VanDerWaalsContact C-N 3.26Å; N995-S997 PolarHBondContact O-N 2.98Å; S997-K1000 WeakPolarHBondContact O-CB 3.41Å
998	A	93.9	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-76.5	-18.6	175.3	0	0	0	0	0	113.8	C686 G994 N995 E996 K1000 L1001 F1002	C686-A998 HydrophobicContact CB-CB 4.29Å; G994-A998 PolarHBondContact O-N 2.77Å; G994-A998 VanDerWaalsContact O-N 3.16Å; N995-A998 WeakPolarHBondContact O-CA 3.21Å; N995-A998 WeakPolarHBondContact O-CB 3.46Å; N995-A998 PolarHBondContact O-N 2.8Å; E996-A998 VanDerWaalsContact C-N 3.28Å; E996-A998 PolarHBondContact O-N 3.2Å; A998-K1000 PolarHBondContact O-N 3.38Å; A998-L1001 WeakPolarHBondContact O-CA 3.44Å; A998-L1001 VanDerWaalsContact O-CB 3.29Å; A998-L1001 WeakPolarHBondContact O-CB 3.49Å; A998-L1001 PolarHBondContact O-N 2.93Å; A998-F1002 PolarHBondContact O-N 3.34Å
999	N	94	Very high	95.1	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-35.3	170.8	-72	-19.9	0	0	0	112.5	D632 M634 R653 N995 E996 L1001 F1002 R1003	D632-N999 PolarHBondContact OD2-ND2 2.94Å; M634-N999 HydrophobicContact CE-CB 3.73Å; M634-N999 WeakPolarHBondContact CE-O 3.28Å; M634-N999 HydrophobicContact CG-CB 4.39Å; M634-N999 HydrophobicContact SD-CB 3.96Å; M634-N999 PolarHBondContact SD-OD1 3.49Å; R653-N999 PolarHBondContact NH2-OD1 3.16Å; N995-N999 PolarHBondContact O-N 3.16Å; E996-N999 WeakPolarHBondContact O-CB 3.45Å; E996-N999 PolarHBondContact O-N 3.33Å; E996-N999 PolarHBondContact OE2-ND2 3.31Å; N999-L1001 VanDerWaalsContact C-N 3.3Å; N999-L1001 PolarHBondContact O-N 3.3Å; N999-F1002 PolarHBondContact O-N 3.39Å; N999-R1003 WeakPolarHBondContact O-CG 3.4Å; N999-R1003 PolarHBondContact O-N 3.4Å; N999-R1003 VanDerWaalsContact O-N 3.11Å
1000	K	93.7	Very high	95.2	Very high	136 Å²	136	39.5 Å²	39.5	59%	0.591	18%	0.179	S	C	*	.	H	α-helix	trans	-64.1	-33.4	172.4	165.4	-171	153.8	-139.3	0	111.8	E683 S997 A998 R1004	E683-K1000 IonicContact OE1-NZ 3.98Å; E683-K1000 PolarHBondContact OE1-NZ 3.48Å; S997-K1000 WeakPolarHBondContact O-CB 3.41Å; A998-K1000 PolarHBondContact O-N 3.38Å; K1000-R1004 PolarHBondContact O-N 2.66Å
1001	L	95.6	Very high	95.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-48.5	172.9	-63.1	-178.3	0	0	0	111.5	F506 E683 A998 N999 R1003 R1004 F1005 H1025 Y1028	F506-L1001 HydrophobicContact CE1-CD2 3.82Å; F506-L1001 HydrophobicContact CZ-CD2 4.33Å; E683-L1001 HydrophobicContact CB-CD1 3.7Å; E683-L1001 HydrophobicContact CB-CG 4.13Å; E683-L1001 HydrophobicContact CG-CD1 3.87Å; E683-L1001 HydrophobicContact CG-CD2 4.25Å; E683-L1001 HydrophobicContact CG-CG 4.11Å; E683-L1001 WeakPolarHBondContact O-CD1 3.35Å; A998-L1001 WeakPolarHBondContact O-CA 3.44Å; A998-L1001 VanDerWaalsContact O-CB 3.29Å; A998-L1001 WeakPolarHBondContact O-CB 3.49Å; A998-L1001 PolarHBondContact O-N 2.93Å; N999-L1001 VanDerWaalsContact C-N 3.3Å; N999-L1001 PolarHBondContact O-N 3.3Å; L1001-R1003 PolarHBondContact O-N 3.19Å; L1001-R1004 CarbonylContact O-C 3.59Å; L1001-R1004 WeakPolarHBondContact O-CA 3.21Å; L1001-R1004 WeakPolarHBondContact O-CB 3.38Å; L1001-R1004 PolarHBondContact O-N 3.02Å; L1001-F1005 HydrophobicContact CB-CD2 4.07Å; L1001-F1005 HydrophobicContact CB-CE2 3.68Å; L1001-F1005 HydrophobicContact CB-CZ 4.33Å; L1001-F1005 HydrophobicContact CD1-CE2 4.34Å; L1001-F1005 HydrophobicContact CD2-CE2 4.43Å; L1001-F1005 HydrophobicContact CD2-CZ 4.27Å; L1001-F1005 HydrophobicContact CG-CE2 4.39Å; L1001-F1005 WeakPolarHBondContact O-CD2 3.35Å; L1001-F1005 WeakPolarHBondContact O-CG 3.41Å; L1001-F1005 PolarHBondContact O-N 2.88Å; L1001-H1025 WeakPolarHBondContact CD1-NE2 3.35Å; L1001-Y1028 HydrophobicContact CD1-CD1 3.55Å; L1001-Y1028 HydrophobicContact CD1-CE1 3.5Å; L1001-Y1028 HydrophobicContact CD2-CD1 4.42Å; L1001-Y1028 HydrophobicContact CD2-CE1 3.93Å; L1001-Y1028 HydrophobicContact CG-CE1 4.39Å
1002	F	97.4	Very high	95.1	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-51.8	-51.4	176	176.1	-89.3	0	0	0	111.8	M634 V637 A651 L691 F693 A998 N999 R1004 F1005 R1006 L1018 V1021	M634-F1002 HydrophobicContact CE-CB 4.3Å; M634-F1002 HydrophobicContact CE-CD1 3.58Å; M634-F1002 HydrophobicContact CE-CE1 4.29Å; M634-F1002 HydrophobicContact CE-CG 4.26Å; M634-F1002 HydrophobicContact SD-CB 4.32Å; M634-F1002 HydrophobicContact SD-CD1 3.79Å; M634-F1002 HydrophobicContact SD-CE1 4.33Å; M634-F1002 HydrophobicContact SD-CG 4.12Å; V637-F1002 HydrophobicContact CG1-CE1 3.87Å; V637-F1002 HydrophobicContact CG1-CZ 4.41Å; A651-F1002 HydrophobicContact CB-CE1 4.34Å; A651-F1002 HydrophobicContact CB-CZ 4.13Å; L691-F1002 HydrophobicContact CD1-CD2 4.32Å; L691-F1002 HydrophobicContact CD1-CE2 4.17Å; L691-F1002 HydrophobicContact CD2-CD2 4.07Å; L691-F1002 HydrophobicContact CD2-CE2 4.21Å; F693-F1002 HydrophobicContact CE1-CZ 4.32Å; A998-F1002 PolarHBondContact O-N 3.34Å; N999-F1002 PolarHBondContact O-N 3.39Å; F1002-R1004 PolarHBondContact O-N 3.04Å; F1002-F1005 PolarHBondContact O-N 2.97Å; F1002-R1006 VanDerWaalsContact O-CB 3.26Å; F1002-R1006 WeakPolarHBondContact O-CB 3.25Å; F1002-R1006 PolarHBondContact O-N 3.11Å; F1002-L1018 HydrophobicContact CE2-CD2 3.94Å; F1002-L1018 HydrophobicContact CZ-CD2 4.16Å; F1002-V1021 HydrophobicContact CD2-CG1 3.66Å; F1002-V1021 HydrophobicContact CE2-CG1 4.12Å; F1002-V1021 HydrophobicContact CG-CG1 4.47Å
1003	R	96.3	Very high	95	Very high	94 Å²	94	50 Å²	50	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-25.3	178.6	-65	-176	-162.8	-95.2	0.4	113.4	M634 G635 D636 N999 L1001	M634-R1003 HydrophobicContact CE-CG 3.68Å; G635-R1003 VanDerWaalsContact O-CZ 3.24Å; G635-R1003 PolarHBondContact O-NH1 3.13Å; G635-R1003 PolarHBondContact O-NH2 2.95Å; D636-R1003 PolarHBondContact O-NH1 3.06Å; N999-R1003 WeakPolarHBondContact O-CG 3.4Å; N999-R1003 PolarHBondContact O-N 3.4Å; N999-R1003 VanDerWaalsContact O-N 3.11Å; L1001-R1003 PolarHBondContact O-N 3.19Å
1004	R	96.3	Very high	94.9	Very high	107 Å²	107	49 Å²	49	40%	0.404	23%	0.225	S	C	.	.	H	α-helix	trans	-80.6	-53.1	174.9	-173.9	179.5	-173	168.3	2.8	111.5	F506 K1000 L1001 F1002 R1006 K1007 M1008	F506-R1004 VanDerWaalsContact CB-CZ 3.47Å; F506-R1004 VanDerWaalsContact CB-NH2 3.26Å; F506-R1004 VanDerWaalsContact CD1-CZ 3.45Å; F506-R1004 VanDerWaalsContact CD1-NH1 3.33Å; F506-R1004 VanDerWaalsContact CE2-NH1 3.29Å; K1000-R1004 PolarHBondContact O-N 2.66Å; L1001-R1004 CarbonylContact O-C 3.59Å; L1001-R1004 WeakPolarHBondContact O-CA 3.21Å; L1001-R1004 WeakPolarHBondContact O-CB 3.38Å; L1001-R1004 PolarHBondContact O-N 3.02Å; F1002-R1004 PolarHBondContact O-N 3.04Å; R1004-R1006 VanDerWaalsContact C-N 3.35Å; R1004-R1006 PolarHBondContact O-N 3.2Å; R1004-K1007 PolarHBondContact O-N 3.01Å; R1004-K1007 VanDerWaalsContact O-N 3.08Å; R1004-M1008 HydrophobicContact CG-CG 4.36Å; R1004-M1008 WeakPolarHBondContact O-CB 3.47Å; R1004-M1008 PolarHBondContact O-N 3.1Å
1005	F	97.8	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-40.4	-176.6	-62.8	-38.7	0	0	0	112	F506 L1001 F1002 K1007 M1008 N1009 A1010 V1021 H1024 H1025 Y1028	F506-F1005 AromaticContact CD1-CE1 3.89Å; F506-F1005 HydrophobicContact CD1-CE1 3.89Å; F506-F1005 HydrophobicContact CD1-CZ 4.44Å; F506-F1005 HydrophobicContact CE1-CE1 4.25Å; F506-F1005 HydrophobicContact CE1-CZ 4.38Å; L1001-F1005 HydrophobicContact CB-CD2 4.07Å; L1001-F1005 HydrophobicContact CB-CE2 3.68Å; L1001-F1005 HydrophobicContact CB-CZ 4.33Å; L1001-F1005 HydrophobicContact CD1-CE2 4.34Å; L1001-F1005 HydrophobicContact CD2-CE2 4.43Å; L1001-F1005 HydrophobicContact CD2-CZ 4.27Å; L1001-F1005 HydrophobicContact CG-CE2 4.39Å; L1001-F1005 WeakPolarHBondContact O-CD2 3.35Å; L1001-F1005 WeakPolarHBondContact O-CG 3.41Å; L1001-F1005 PolarHBondContact O-N 2.88Å; F1002-F1005 PolarHBondContact O-N 2.97Å; F1005-K1007 PolarHBondContact O-N 3.26Å; F1005-K1007 VanDerWaalsContact O-N 3.09Å; F1005-M1008 PolarHBondContact O-N 3.27Å; F1005-N1009 HydrophobicContact CB-CB 4.47Å; F1005-N1009 HydrophobicContact CD1-CB 4.27Å; F1005-N1009 PolarHBondContact O-N 2.93Å; F1005-A1010 PolarHBondContact O-N 3.23Å; F1005-A1010 VanDerWaalsContact O-N 3.12Å; F1005-V1021 HydrophobicContact CB-CG1 4.26Å; F1005-V1021 HydrophobicContact CB-CG2 4.21Å; F1005-H1024 AromaticContact CD1-CD2 3.38Å; F1005-H1024 WeakPolarHBondContact CD1-CD2 3.38Å; F1005-H1024 AromaticContact CD1-NE2 3.79Å; F1005-H1024 AromaticContact CE1-CD2 3.55Å; F1005-H1024 AromaticContact CE1-NE2 3.57Å; F1005-H1024 AromaticContact CG-CD2 3.96Å; F1005-H1025 HydrophobicContact CD2-CB 3.86Å; F1005-H1025 HydrophobicContact CE2-CB 3.81Å; F1005-H1025 AromaticContact CE2-CD2 3.76Å; F1005-H1025 AromaticContact CE2-CG 3.93Å; F1005-Y1028 HydrophobicContact CZ-CD1 4.33Å; F1005-Y1028 HydrophobicContact CZ-CD2 4.08Å; F1005-Y1028 AromaticContact CZ-CG 3.84Å; F1005-Y1028 HydrophobicContact CZ-CG 3.84Å
1006	R	96.7	Very high	94.9	Very high	17 Å²	17	55.2 Å²	55.2	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-26.5	174.3	-166.8	-177.7	-177.8	-133.1	-8.2	113.4	S638 F1002 R1004 Q1012 E1017 V1021	S638-R1006 PolarHBondContact O-NH1 3.3Å; S638-R1006 PolarHBondContact O-NH2 3.18Å; F1002-R1006 VanDerWaalsContact O-CB 3.26Å; F1002-R1006 WeakPolarHBondContact O-CB 3.25Å; F1002-R1006 PolarHBondContact O-N 3.11Å; R1004-R1006 VanDerWaalsContact C-N 3.35Å; R1004-R1006 PolarHBondContact O-N 3.2Å; R1006-Q1012 PolarHBondContact O-NE2 3.14Å; R1006-E1017 WeakPolarHBondContact CD-OE2 3.46Å; R1006-E1017 WeakPolarHBondContact CG-OE2 3.49Å; R1006-E1017 IonicContact CZ-OE1 2.67Å; R1006-E1017 IonicContact CZ-OE2 2.61Å; R1006-E1017 IonicContact NE-OE1 2.61Å; R1006-E1017 IonicContact NE-OE2 2.68Å; R1006-E1017 PolarHBondContact NE-OE2 3.36Å; R1006-E1017 IonicContact NH2-OE1 2.96Å; R1006-E1017 PolarHBondContact NH2-OE1 3.32Å; R1006-E1017 IonicContact NH2-OE2 2.67Å; R1006-E1017 PolarHBondContact NH2-OE2 3.14Å; R1006-V1021 HydrophobicContact CB-CG2 4.07Å
1007	K	95.4	Very high	95.1	Very high	161 Å²	161	51.8 Å²	51.8	70%	0.7	24%	0.243	S	C	*	.	H	α-helix	trans	-99.1	-36.5	179.4	-66.6	-177.7	178.9	-176.8	0	113.7	R1004 F1005	R1004-K1007 PolarHBondContact O-N 3.01Å; R1004-K1007 VanDerWaalsContact O-N 3.08Å; F1005-K1007 PolarHBondContact O-N 3.26Å; F1005-K1007 VanDerWaalsContact O-N 3.09Å
1008	M	94.6	Very high	95.3	Very high	88 Å²	88	50.3 Å²	50.3	43%	0.433	23%	0.232	S	C	.	.	H	α-helix	trans	-106.8	-25.9	-166.2	-68.1	-60.4	-58	0	0	114.6	S508 R1004 F1005	S508-M1008 WeakPolarHBondContact CB-O 3.42Å; R1004-M1008 HydrophobicContact CG-CG 4.36Å; R1004-M1008 WeakPolarHBondContact O-CB 3.47Å; R1004-M1008 PolarHBondContact O-N 3.1Å; F1005-M1008 PolarHBondContact O-N 3.27Å
1009	N	96.4	Very high	95.5	Very high	25 Å²	25	53 Å²	53	13%	0.134	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-11.2	-165.1	-61.6	75.9	0	0	0	113.9	F1005 H1024	F1005-N1009 HydrophobicContact CB-CB 4.47Å; F1005-N1009 HydrophobicContact CD1-CB 4.27Å; F1005-N1009 PolarHBondContact O-N 2.93Å; N1009-H1024 WeakPolarHBondContact CB-CD2 3.02Å; N1009-H1024 VanDerWaalsContact CG-CD2 3.44Å; N1009-H1024 PolarHBondContact ND2-CD2 3.09Å; N1009-H1024 PolarHBondContact ND2-NE2 3.49Å
1010	A	96.8	Very high	95.7	Very high	14 Å²	14	53.7 Å²	53.7	12%	0.116	25%	0.249	C	C	.	.	S	Bend	trans	-103.2	151.6	179.3	0	0	0	0	0	114.5	F1005 Q1012 D1020 V1021	F1005-A1010 PolarHBondContact O-N 3.23Å; F1005-A1010 VanDerWaalsContact O-N 3.12Å; A1010-Q1012 PolarHBondContact O-N 3.42Å; A1010-Q1012 PolarHBondContact O-NE2 3.13Å; A1010-D1020 HydrophobicContact CB-CB 3.61Å; A1010-V1021 HydrophobicContact CB-CG2 3.84Å
1011	R	96.3	Very high	95.9	Very high	95 Å²	95	47.2 Å²	47.2	36%	0.358	22%	0.221	S	C	.	.			trans	-53.9	129.8	164.3	-80.8	167.8	-82.8	174.2	-6.3	109.6	S1013 F1016 E1019 D1020	R1011-S1013 PolarHBondContact O-N 2.61Å; R1011-F1016 HydrophobicContact CB-CB 4.04Å; R1011-F1016 VanDerWaalsContact NH1-CG 3.32Å; R1011-E1019 IonicContact CZ-OE1 2.74Å; R1011-E1019 IonicContact NH1-OE1 3.8Å; R1011-E1019 PolarHBondContact NH1-OE1 3.49Å; R1011-E1019 IonicContact NH2-OE1 2.76Å; R1011-E1019 PolarHBondContact NH2-OE1 3.4Å; R1011-D1020 VanDerWaalsContact CB-OD2 3.24Å; R1011-D1020 WeakPolarHBondContact CB-OD2 3.32Å; R1011-D1020 WeakPolarHBondContact CG-OD2 3.37Å; R1011-D1020 IonicContact CZ-OD1 2.76Å; R1011-D1020 IonicContact CZ-OD2 3.61Å; R1011-D1020 PolarHBondContact N-OD2 3.4Å; R1011-D1020 IonicContact NE-OD1 2.79Å; R1011-D1020 PolarHBondContact NE-OD1 3.43Å; R1011-D1020 IonicContact NE-OD2 3.55Å; R1011-D1020 PolarHBondContact NE-OD2 3.32Å; R1011-D1020 VanDerWaalsContact NH2-CG 3.34Å; R1011-D1020 IonicContact NH2-OD1 3.93Å; R1011-D1020 PolarHBondContact NH2-OD1 3.14Å; R1011-D1020 IonicContact NH2-OD2 2.87Å
1012	Q	94.3	Very high	96.1	Very high	111 Å²	111	47 Å²	47	52%	0.519	22%	0.22	S	C	.	.	S	Bend	trans	-84.4	66.7	-178.9	-61.4	-57.3	-61	0	0	110.9	R1006 A1010	R1006-Q1012 PolarHBondContact O-NE2 3.14Å; A1010-Q1012 PolarHBondContact O-N 3.42Å; A1010-Q1012 PolarHBondContact O-NE2 3.13Å
1013	S	94.4	Very high	96.1	Very high	45 Å²	45	49.6 Å²	49.6	32%	0.315	23%	0.231	S	C	.	.	S	Bend	trans	-153.9	136.9	-179.4	175	0	0	0	0	110.6	R1011 A1015 F1016 E1017	R1011-S1013 PolarHBondContact O-N 2.61Å; S1013-A1015 VanDerWaalsContact C-N 3.25Å; S1013-A1015 PolarHBondContact O-N 3.24Å; S1013-F1016 PolarHBondContact O-N 3.23Å; S1013-E1017 WeakPolarHBondContact O-CB 3.44Å; S1013-E1017 PolarHBondContact O-N 3.34Å
1014	K	93.2	Very high	96.2	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-47.7	178.4	-79.8	-167.8	175.3	-173.2	0	112.6	I584 E639 K640 P645 F1016	I584-K1014 HydrophobicContact CD1-CB 3.75Å; I584-K1014 HydrophobicContact CD1-CD 4.18Å; I584-K1014 HydrophobicContact CD1-CG 4.26Å; E639-K1014 VanDerWaalsContact OE1-CE 3.31Å; E639-K1014 WeakPolarHBondContact OE1-CE 3.36Å; E639-K1014 IonicContact OE1-NZ 3.15Å; E639-K1014 PolarHBondContact OE1-NZ 2.97Å; K640-K1014 WeakPolarHBondContact O-CE 3.28Å; P645-K1014 PolarHBondContact O-NZ 3.25Å; K1014-F1016 VanDerWaalsContact C-N 3.3Å; K1014-F1016 PolarHBondContact O-N 3.43Å
1015	A	91.4	Very high	96.3	Very high	43 Å²	43	40.4 Å²	40.4	36%	0.355	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.2	-171.6	0	0	0	0	0	115.6	R586 S1013	R586-A1015 PolarHBondContact NH2-O 2.78Å; S1013-A1015 VanDerWaalsContact C-N 3.25Å; S1013-A1015 PolarHBondContact O-N 3.24Å
1016	F	94.8	Very high	96.4	Very high	90 Å²	90	40.5 Å²	40.5	40%	0.395	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-10	-169.3	-61.6	-60.7	0	0	0	114.4	R1011 S1013 K1014 L1018 E1019 D1020	R1011-F1016 HydrophobicContact CB-CB 4.04Å; R1011-F1016 VanDerWaalsContact NH1-CG 3.32Å; S1013-F1016 PolarHBondContact O-N 3.23Å; K1014-F1016 VanDerWaalsContact C-N 3.3Å; K1014-F1016 PolarHBondContact O-N 3.43Å; F1016-L1018 PolarHBondContact O-N 3.49Å; F1016-E1019 WeakPolarHBondContact O-CB 3.49Å; F1016-E1019 PolarHBondContact O-N 3.31Å; F1016-D1020 PolarHBondContact O-N 2.94Å; F1016-D1020 VanDerWaalsContact O-N 3.15Å
1017	E	95.9	Very high	96.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-40.3	-171.2	62.6	168.9	134.6	0	0	113.2	K640 F693 R1006 S1013 E1019 V1021	K640-E1017 WeakPolarHBondContact CD-OE1 3.3Å; K640-E1017 WeakPolarHBondContact CE-OE1 3.41Å; K640-E1017 WeakPolarHBondContact CE-OE2 3.46Å; K640-E1017 IonicContact NZ-OE2 2.81Å; F693-E1017 HydrophobicContact CE2-CG 4.25Å; F693-E1017 HydrophobicContact CZ-CG 4.33Å; R1006-E1017 WeakPolarHBondContact CD-OE2 3.46Å; R1006-E1017 WeakPolarHBondContact CG-OE2 3.49Å; R1006-E1017 IonicContact CZ-OE1 2.67Å; R1006-E1017 IonicContact CZ-OE2 2.61Å; R1006-E1017 IonicContact NE-OE1 2.61Å; R1006-E1017 IonicContact NE-OE2 2.68Å; R1006-E1017 PolarHBondContact NE-OE2 3.36Å; R1006-E1017 IonicContact NH2-OE1 2.96Å; R1006-E1017 PolarHBondContact NH2-OE1 3.32Å; R1006-E1017 IonicContact NH2-OE2 2.67Å; R1006-E1017 PolarHBondContact NH2-OE2 3.14Å; S1013-E1017 WeakPolarHBondContact O-CB 3.44Å; S1013-E1017 PolarHBondContact O-N 3.34Å; E1017-E1019 VanDerWaalsContact C-N 3.34Å; E1017-V1021 WeakPolarHBondContact O-CB 3.37Å; E1017-V1021 VanDerWaalsContact O-CG2 3.25Å; E1017-V1021 WeakPolarHBondContact O-CG2 3.09Å; E1017-V1021 PolarHBondContact O-N 2.71Å
1018	L	97.1	Very high	96.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-70.4	-30.2	177.2	-63.3	-173.1	0	0	0	112.8	I584 R586 L691 F693 F1002 F1016 L1022	I584-L1018 HydrophobicContact CG2-CD1 4.38Å; I584-L1018 WeakPolarHBondContact O-CD1 3.4Å; R586-L1018 HydrophobicContact CB-CB 4.08Å; R586-L1018 HydrophobicContact CG-CB 3.8Å; L691-L1018 HydrophobicContact CB-CB 4.44Å; L691-L1018 HydrophobicContact CB-CD1 4.31Å; L691-L1018 HydrophobicContact CB-CD2 4.09Å; L691-L1018 HydrophobicContact CD1-CD2 4.37Å; F693-L1018 HydrophobicContact CD2-CD1 3.95Å; F693-L1018 HydrophobicContact CD2-CG 4.36Å; F693-L1018 HydrophobicContact CE1-CD2 4.27Å; F693-L1018 HydrophobicContact CE2-CD1 3.86Å; F693-L1018 HydrophobicContact CE2-CD2 3.83Å; F693-L1018 HydrophobicContact CE2-CG 3.76Å; F693-L1018 HydrophobicContact CZ-CD1 4.46Å; F693-L1018 HydrophobicContact CZ-CD2 3.65Å; F693-L1018 HydrophobicContact CZ-CG 4.12Å; F1002-L1018 HydrophobicContact CE2-CD2 3.94Å; F1002-L1018 HydrophobicContact CZ-CD2 4.16Å; F1016-L1018 PolarHBondContact O-N 3.49Å; L1018-L1022 WeakPolarHBondContact O-CB 3.36Å; L1018-L1022 PolarHBondContact O-N 3.12Å
1019	E	97.8	Very high	96.7	Very high	56 Å²	56	28.8 Å²	28.8	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-65.4	-48.7	175.7	179.3	-163.2	125.9	0	0	110.6	I565 R586 R1011 F1016 E1017 K1023	I565-E1019 HydrophobicContact CD1-CG 4.13Å; I565-E1019 HydrophobicContact CG2-CG 4.35Å; R586-E1019 HydrophobicContact CG-CB 4.32Å; R1011-E1019 IonicContact CZ-OE1 2.74Å; R1011-E1019 IonicContact NH1-OE1 3.8Å; R1011-E1019 PolarHBondContact NH1-OE1 3.49Å; R1011-E1019 IonicContact NH2-OE1 2.76Å; R1011-E1019 PolarHBondContact NH2-OE1 3.4Å; F1016-E1019 WeakPolarHBondContact O-CB 3.49Å; F1016-E1019 PolarHBondContact O-N 3.31Å; E1017-E1019 VanDerWaalsContact C-N 3.34Å; E1019-K1023 VanDerWaalsContact O-CB 3.3Å; E1019-K1023 WeakPolarHBondContact O-CB 3.5Å; E1019-K1023 PolarHBondContact O-N 3.25Å
1020	D	97.9	Very high	96.7	Very high	22 Å²	22	27.7 Å²	27.7	12%	0.118	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-38.6	176.2	-79.8	-26.5	0	0	0	112.7	A1010 R1011 F1016 H1024	A1010-D1020 HydrophobicContact CB-CB 3.61Å; R1011-D1020 VanDerWaalsContact CB-OD2 3.24Å; R1011-D1020 WeakPolarHBondContact CB-OD2 3.32Å; R1011-D1020 WeakPolarHBondContact CG-OD2 3.37Å; R1011-D1020 IonicContact CZ-OD1 2.76Å; R1011-D1020 IonicContact CZ-OD2 3.61Å; R1011-D1020 PolarHBondContact N-OD2 3.4Å; R1011-D1020 IonicContact NE-OD1 2.79Å; R1011-D1020 PolarHBondContact NE-OD1 3.43Å; R1011-D1020 IonicContact NE-OD2 3.55Å; R1011-D1020 PolarHBondContact NE-OD2 3.32Å; R1011-D1020 VanDerWaalsContact NH2-CG 3.34Å; R1011-D1020 IonicContact NH2-OD1 3.93Å; R1011-D1020 PolarHBondContact NH2-OD1 3.14Å; R1011-D1020 IonicContact NH2-OD2 2.87Å; F1016-D1020 PolarHBondContact O-N 2.94Å; F1016-D1020 VanDerWaalsContact O-N 3.15Å; D1020-H1024 WeakPolarHBondContact O-CB 3.5Å; D1020-H1024 PolarHBondContact O-N 3.24Å
1021	V	98.4	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-48	177.4	173.8	0	0	0	0	110.5	L691 F1002 F1005 R1006 A1010 E1017 H1024 H1025	L691-V1021 HydrophobicContact CD1-CB 4.03Å; L691-V1021 HydrophobicContact CD1-CG1 3.74Å; F1002-V1021 HydrophobicContact CD2-CG1 3.66Å; F1002-V1021 HydrophobicContact CE2-CG1 4.12Å; F1002-V1021 HydrophobicContact CG-CG1 4.47Å; F1005-V1021 HydrophobicContact CB-CG1 4.26Å; F1005-V1021 HydrophobicContact CB-CG2 4.21Å; R1006-V1021 HydrophobicContact CB-CG2 4.07Å; A1010-V1021 HydrophobicContact CB-CG2 3.84Å; E1017-V1021 WeakPolarHBondContact O-CB 3.37Å; E1017-V1021 VanDerWaalsContact O-CG2 3.25Å; E1017-V1021 WeakPolarHBondContact O-CG2 3.09Å; E1017-V1021 PolarHBondContact O-N 2.71Å; V1021-H1024 PolarHBondContact O-N 3.09Å; V1021-H1025 WeakPolarHBondContact O-CB 3.29Å; V1021-H1025 PolarHBondContact O-N 3.37Å
1022	L	98.6	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.2	-52.2	177.2	-179.8	60.2	0	0	0	110.6	I565 R586 F588 P688 L691 L1018 H1024 H1025 W1026	I565-L1022 HydrophobicContact CD1-CD2 4.36Å; I565-L1022 HydrophobicContact CD1-CG 4.49Å; I565-L1022 HydrophobicContact CG1-CD2 4.17Å; I565-L1022 HydrophobicContact CG2-CD2 4.06Å; R586-L1022 HydrophobicContact CB-CD2 4.17Å; F588-L1022 HydrophobicContact CD2-CD1 3.98Å; F588-L1022 HydrophobicContact CD2-CD2 4.07Å; F588-L1022 HydrophobicContact CD2-CG 4.1Å; F588-L1022 HydrophobicContact CE2-CD1 3.66Å; F588-L1022 HydrophobicContact CE2-CD2 3.95Å; F588-L1022 HydrophobicContact CE2-CG 3.56Å; F588-L1022 HydrophobicContact CZ-CD2 4.31Å; F588-L1022 HydrophobicContact CZ-CG 4Å; P688-L1022 HydrophobicContact CB-CD1 3.88Å; P688-L1022 HydrophobicContact CG-CD1 4.04Å; P688-L1022 WeakPolarHBondContact O-CD1 3.19Å; L691-L1022 HydrophobicContact CD1-CB 3.82Å; L691-L1022 HydrophobicContact CG-CB 4.44Å; L691-L1022 HydrophobicContact CG-CD1 4.43Å; L1018-L1022 WeakPolarHBondContact O-CB 3.36Å; L1018-L1022 PolarHBondContact O-N 3.12Å; L1022-H1024 PolarHBondContact O-N 3.35Å; L1022-H1025 PolarHBondContact O-N 2.98Å; L1022-W1026 WeakPolarHBondContact O-CB 3.48Å; L1022-W1026 PolarHBondContact O-N 3.28Å
1023	K	98.4	Very high	96.5	Very high	57 Å²	57	19.8 Å²	19.8	25%	0.248	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-45.9	-179.8	-161.8	-179.6	65.5	154.3	0	112.9	E538 L542 I565 E1019 L1027	E538-K1023 IonicContact OE1-NZ 3.19Å; E538-K1023 PolarHBondContact OE1-NZ 2.99Å; L542-K1023 HydrophobicContact CD1-CD 3.67Å; L542-K1023 HydrophobicContact CD1-CG 3.64Å; L542-K1023 HydrophobicContact CD2-CG 3.62Å; L542-K1023 HydrophobicContact CG-CG 4.32Å; I565-K1023 HydrophobicContact CD1-CB 3.81Å; I565-K1023 HydrophobicContact CD1-CG 4.34Å; E1019-K1023 VanDerWaalsContact O-CB 3.3Å; E1019-K1023 WeakPolarHBondContact O-CB 3.5Å; E1019-K1023 PolarHBondContact O-N 3.25Å; K1023-L1027 WeakPolarHBondContact O-CG 3.34Å; K1023-L1027 PolarHBondContact O-N 3.33Å
1024	H	98.3	Very high	96.5	Very high	7 Å²	7	19 Å²	19	3%	0.032	9%	0.092	C	C	.	.	H	α-helix	trans	-76.1	-31.5	-176.2	-172.4	39	0	0	0	113	F1005 N1009 D1020 V1021 L1022 Y1028	F1005-H1024 AromaticContact CD1-CD2 3.38Å; F1005-H1024 WeakPolarHBondContact CD1-CD2 3.38Å; F1005-H1024 AromaticContact CD1-NE2 3.79Å; F1005-H1024 AromaticContact CE1-CD2 3.55Å; F1005-H1024 AromaticContact CE1-NE2 3.57Å; F1005-H1024 AromaticContact CG-CD2 3.96Å; N1009-H1024 WeakPolarHBondContact CB-CD2 3.02Å; N1009-H1024 VanDerWaalsContact CG-CD2 3.44Å; N1009-H1024 PolarHBondContact ND2-CD2 3.09Å; N1009-H1024 PolarHBondContact ND2-NE2 3.49Å; D1020-H1024 WeakPolarHBondContact O-CB 3.5Å; D1020-H1024 PolarHBondContact O-N 3.24Å; V1021-H1024 PolarHBondContact O-N 3.09Å; L1022-H1024 PolarHBondContact O-N 3.35Å; H1024-Y1028 PolarHBondContact O-N 3.22Å; H1024-Y1028 VanDerWaalsContact O-N 3.07Å
1025	H	98.5	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70	-40.5	174.4	-171.2	-167.4	0	0	0	110.8	P688 L1001 F1005 V1021 L1022 L1027 Y1028 T1029	P688-H1025 HydrophobicContact CG-CB 3.87Å; L1001-H1025 WeakPolarHBondContact CD1-NE2 3.35Å; F1005-H1025 HydrophobicContact CD2-CB 3.86Å; F1005-H1025 HydrophobicContact CE2-CB 3.81Å; F1005-H1025 AromaticContact CE2-CD2 3.76Å; F1005-H1025 AromaticContact CE2-CG 3.93Å; V1021-H1025 WeakPolarHBondContact O-CB 3.29Å; V1021-H1025 PolarHBondContact O-N 3.37Å; L1022-H1025 PolarHBondContact O-N 2.98Å; H1025-L1027 PolarHBondContact O-N 2.91Å; H1025-Y1028 WeakPolarHBondContact O-CB 3.3Å; H1025-Y1028 PolarHBondContact O-N 2.84Å; H1025-Y1028 VanDerWaalsContact O-N 3.09Å; H1025-T1029 PolarHBondContact O-N 2.94Å; H1025-T1029 VanDerWaalsContact O-N 3.08Å; H1025-T1029 PolarHBondContact O-OG1 3.07Å
1026	W	98.6	Very high	96.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-54.3	-51.6	170.6	-175.1	-86	0	0	0	112.3	L541 L542 P543 F588 A593 A596 A597 F656 K687 P688 L1022 Y1028 T1029 S1030	L541-W1026 PolarHBondContact O-NE1 3.34Å; L542-W1026 HydrophobicContact CD2-CB 4.39Å; L542-W1026 HydrophobicContact CD2-CG 4.22Å; P543-W1026 HydrophobicContact CG-CD2 4.23Å; P543-W1026 HydrophobicContact CG-CH2 4.16Å; P543-W1026 HydrophobicContact CG-CZ2 3.84Å; P543-W1026 HydrophobicContact CG-CZ3 4.47Å; F588-W1026 HydrophobicContact CD2-CE3 4.07Å; F588-W1026 HydrophobicContact CD2-CZ3 4.39Å; F588-W1026 HydrophobicContact CE2-CB 4.23Å; F588-W1026 HydrophobicContact CE2-CD2 4.02Å; F588-W1026 AromaticContact CE2-CE3 3.69Å; F588-W1026 HydrophobicContact CE2-CE3 3.69Å; F588-W1026 HydrophobicContact CE2-CG 4.24Å; F588-W1026 HydrophobicContact CE2-CZ3 4.43Å; F588-W1026 HydrophobicContact CZ-CB 4.38Å; F588-W1026 HydrophobicContact CZ-CD2 4.46Å; F588-W1026 HydrophobicContact CZ-CG 4.37Å; A593-W1026 HydrophobicContact CB-CH2 3.94Å; A593-W1026 HydrophobicContact CB-CZ3 4.11Å; A593-W1026 VanDerWaalsContact O-CH2 3.27Å; A593-W1026 WeakPolarHBondContact O-CH2 3.47Å; A596-W1026 HydrophobicContact CB-CZ2 3.85Å; A597-W1026 HydrophobicContact CB-CH2 4.26Å; F656-W1026 HydrophobicContact CE1-CH2 4.43Å; F656-W1026 HydrophobicContact CE1-CZ3 4.16Å; F656-W1026 HydrophobicContact CZ-CH2 4.03Å; F656-W1026 HydrophobicContact CZ-CZ3 4.19Å; K687-W1026 HydrophobicContact CB-CE3 4.3Å; K687-W1026 HydrophobicContact CB-CH2 4.39Å; K687-W1026 HydrophobicContact CB-CZ3 3.89Å; K687-W1026 HydrophobicContact CD-CH2 3.92Å; K687-W1026 HydrophobicContact CD-CZ2 4.28Å; K687-W1026 HydrophobicContact CD-CZ3 4.27Å; P688-W1026 HydrophobicContact CG-CB 4.42Å; L1022-W1026 WeakPolarHBondContact O-CB 3.48Å; L1022-W1026 PolarHBondContact O-N 3.28Å; W1026-Y1028 PolarHBondContact O-N 2.89Å; W1026-T1029 WeakPolarHBondContact CA-OG1 3.28Å; W1026-T1029 CarbonylContact O-C 3.6Å; W1026-T1029 WeakPolarHBondContact O-CA 3.37Å; W1026-T1029 PolarHBondContact O-N 3.43Å; W1026-T1029 PolarHBondContact O-OG1 3Å; W1026-S1030 PolarHBondContact O-N 3.44Å
1027	L	98.1	Very high	96	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-29.2	176.9	-68.5	168.4	0	0	0	113.1	V503 E538 L541 L542 K1023 H1025 T1029 S1030 L1033	V503-L1027 HydrophobicContact CG1-CB 4.48Å; V503-L1027 HydrophobicContact CG2-CB 4.4Å; E538-L1027 HydrophobicContact CB-CD1 3.96Å; E538-L1027 HydrophobicContact CB-CD2 4.16Å; E538-L1027 HydrophobicContact CG-CD1 4.3Å; L541-L1027 HydrophobicContact CB-CD2 3.89Å; L541-L1027 HydrophobicContact CD1-CD2 4.4Å; L542-L1027 HydrophobicContact CD2-CD2 4.39Å; L542-L1027 HydrophobicContact CD2-CG 4.27Å; L542-L1027 HydrophobicContact CG-CD2 4.36Å; K1023-L1027 WeakPolarHBondContact O-CG 3.34Å; K1023-L1027 PolarHBondContact O-N 3.33Å; H1025-L1027 PolarHBondContact O-N 2.91Å; L1027-T1029 VanDerWaalsContact C-N 3.33Å; L1027-S1030 WeakPolarHBondContact O-CB 3.44Å; L1027-S1030 PolarHBondContact O-N 2.86Å; L1027-L1033 HydrophobicContact CD2-CD1 4.49Å
1028	Y	98.1	Very high	95.5	Very high	19 Å²	19	24.5 Å²	24.5	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-70.8	-32.1	174.2	-175.1	-96.6	0	0	0	112	V503 F506 E683 L684 L1001 F1005 H1024 H1025 W1026 S1030 Q1034	V503-Y1028 HydrophobicContact CG1-CD2 4.03Å; V503-Y1028 HydrophobicContact CG1-CG 4.48Å; F506-Y1028 HydrophobicContact CD1-CE2 4.27Å; F506-Y1028 HydrophobicContact CE1-CD2 4.25Å; F506-Y1028 AromaticContact CE1-CE2 3.57Å; F506-Y1028 HydrophobicContact CE1-CE2 3.57Å; F506-Y1028 AromaticContact CE1-CZ 3.86Å; F506-Y1028 HydrophobicContact CE2-CE2 4.24Å; F506-Y1028 AromaticContact CZ-CE2 3.57Å; F506-Y1028 HydrophobicContact CZ-CE2 3.57Å; F506-Y1028 AromaticContact CZ-CZ 3.64Å; F506-Y1028 VanDerWaalsContact CZ-OH 3.28Å; F506-Y1028 WeakPolarHBondContact CZ-OH 3.45Å; E683-Y1028 HydrophobicContact CG-CE1 4.37Å; L684-Y1028 HydrophobicContact CD2-CD1 4.43Å; L684-Y1028 HydrophobicContact CD2-CE1 3.64Å; L1001-Y1028 HydrophobicContact CD1-CD1 3.55Å; L1001-Y1028 HydrophobicContact CD1-CE1 3.5Å; L1001-Y1028 HydrophobicContact CD2-CD1 4.42Å; L1001-Y1028 HydrophobicContact CD2-CE1 3.93Å; L1001-Y1028 HydrophobicContact CG-CE1 4.39Å; F1005-Y1028 HydrophobicContact CZ-CD1 4.33Å; F1005-Y1028 HydrophobicContact CZ-CD2 4.08Å; F1005-Y1028 AromaticContact CZ-CG 3.84Å; F1005-Y1028 HydrophobicContact CZ-CG 3.84Å; H1024-Y1028 PolarHBondContact O-N 3.22Å; H1024-Y1028 VanDerWaalsContact O-N 3.07Å; H1025-Y1028 WeakPolarHBondContact O-CB 3.3Å; H1025-Y1028 PolarHBondContact O-N 2.84Å; H1025-Y1028 VanDerWaalsContact O-N 3.09Å; W1026-Y1028 PolarHBondContact O-N 2.89Å; Y1028-S1030 VanDerWaalsContact C-N 3.28Å; Y1028-S1030 PolarHBondContact O-N 3.49Å; Y1028-Q1034 PolarHBondContact O-NE2 3.19Å
1029	T	97.6	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	20.3	176.1	56.2	0	0	0	0	113.9	L684 K687 H1025 W1026 L1027	L684-T1029 WeakPolarHBondContact O-CA 3.48Å; K687-T1029 PolarHBondContact NZ-O 2.95Å; H1025-T1029 PolarHBondContact O-N 2.94Å; H1025-T1029 VanDerWaalsContact O-N 3.08Å; H1025-T1029 PolarHBondContact O-OG1 3.07Å; W1026-T1029 WeakPolarHBondContact CA-OG1 3.28Å; W1026-T1029 CarbonylContact O-C 3.6Å; W1026-T1029 WeakPolarHBondContact O-CA 3.37Å; W1026-T1029 PolarHBondContact O-N 3.43Å; W1026-T1029 PolarHBondContact O-OG1 3Å; L1027-T1029 VanDerWaalsContact C-N 3.33Å
1030	S	97.1	Very high	92.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.148	C	C	.	.			trans	-85.4	122.6	173	166.1	0	0	0	0	111.1	D600 W1026 L1027 Y1028 L1033 Q1034	D600-S1030 VanDerWaalsContact OD1-CA 3.24Å; D600-S1030 WeakPolarHBondContact OD1-CA 3.38Å; D600-S1030 VanDerWaalsContact OD1-CB 3.27Å; D600-S1030 WeakPolarHBondContact OD1-CB 3.14Å; D600-S1030 PolarHBondContact OD1-OG 3.2Å; D600-S1030 WeakPolarHBondContact OD2-CA 3.48Å; W1026-S1030 PolarHBondContact O-N 3.44Å; L1027-S1030 WeakPolarHBondContact O-CB 3.44Å; L1027-S1030 PolarHBondContact O-N 2.86Å; Y1028-S1030 VanDerWaalsContact C-N 3.28Å; Y1028-S1030 PolarHBondContact O-N 3.49Å; S1030-L1033 PolarHBondContact O-N 3.08Å; S1030-L1033 PolarHBondContact OG-N 3.26Å; S1030-L1033 VanDerWaalsContact OG-N 3.15Å; S1030-Q1034 WeakPolarHBondContact O-CG 3.48Å; S1030-Q1034 PolarHBondContact O-N 2.83Å; S1030-Q1034 VanDerWaalsContact O-N 3.11Å; S1030-Q1034 PolarHBondContact O-NE2 3.03Å
1031	K	94.1	Very high	90.5	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.13	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-42	175.1	-69.4	-75.8	-173.6	169	0	111.3	D600 L601 E677 L1033 Q1034 K1035	D600-K1031 VanDerWaalsContact CG-N 3.27Å; D600-K1031 WeakPolarHBondContact O-CB 3.46Å; D600-K1031 PolarHBondContact OD1-N 2.98Å; D600-K1031 PolarHBondContact OD2-N 3.02Å; L601-K1031 HydrophobicContact CD2-CB 4.45Å; L601-K1031 HydrophobicContact CD2-CG 3.85Å; E677-K1031 IonicContact OE1-NZ 2.67Å; E677-K1031 PolarHBondContact OE1-NZ 2.87Å; E677-K1031 WeakPolarHBondContact OE2-CE 3.5Å; E677-K1031 IonicContact OE2-NZ 2.7Å; E677-K1031 PolarHBondContact OE2-NZ 3.14Å; K1031-L1033 VanDerWaalsContact C-N 3.33Å; K1031-L1033 PolarHBondContact O-N 2.95Å; K1031-Q1034 WeakPolarHBondContact O-CA 3.34Å; K1031-Q1034 WeakPolarHBondContact O-CB 3.48Å; K1031-Q1034 PolarHBondContact O-N 3.38Å; K1031-K1035 PolarHBondContact O-N 3.04Å
1032	Y	93.8	Very high	88.2	Confident	25 Å²	25	41 Å²	41	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-53.3	-47.3	172.9	177.9	-107.8	0	0	0	112	A496 L541 D600 Q1034 K1035 F1036 I1051	A496-Y1032 HydrophobicContact CB-CE1 4.04Å; L541-Y1032 HydrophobicContact CD1-CD1 4.06Å; L541-Y1032 HydrophobicContact CD2-CD1 3.6Å; L541-Y1032 HydrophobicContact CD2-CE1 4.24Å; L541-Y1032 HydrophobicContact CD2-CG 4.28Å; L541-Y1032 HydrophobicContact CG-CD1 4.43Å; D600-Y1032 PolarHBondContact OD1-N 3.32Å; Y1032-Q1034 VanDerWaalsContact C-N 3.32Å; Y1032-Q1034 PolarHBondContact O-N 3.1Å; Y1032-K1035 PolarHBondContact O-N 3.11Å; Y1032-F1036 HydrophobicContact CD1-CE2 4.13Å; Y1032-F1036 HydrophobicContact CD2-CE2 4.31Å; Y1032-F1036 AromaticContact CE1-CE2 3.68Å; Y1032-F1036 HydrophobicContact CE1-CE2 3.68Å; Y1032-F1036 HydrophobicContact CE1-CZ 4.36Å; Y1032-F1036 AromaticContact CE2-CE2 3.87Å; Y1032-F1036 HydrophobicContact CE2-CE2 3.87Å; Y1032-F1036 AromaticContact CE2-CZ 3.97Å; Y1032-F1036 HydrophobicContact CE2-CZ 3.97Å; Y1032-F1036 HydrophobicContact CG-CE2 4.43Å; Y1032-F1036 AromaticContact CZ-CE2 3.53Å; Y1032-F1036 AromaticContact CZ-CZ 3.76Å; Y1032-F1036 WeakPolarHBondContact O-CD2 3.43Å; Y1032-I1051 HydrophobicContact CE1-CD1 4.17Å; Y1032-I1051 HydrophobicContact CE2-CD1 4.1Å; Y1032-I1051 HydrophobicContact CE2-CG1 4.08Å
1033	L	95	Very high	85.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.3	-23.1	175.6	-64.3	-176.6	0	0	0	113.9	L499 A500 N504 L541 L1027 S1030 K1031	L499-L1033 HydrophobicContact CB-CD2 4.37Å; L499-L1033 HydrophobicContact CD2-CD1 4.04Å; L499-L1033 HydrophobicContact CD2-CD2 4.28Å; L499-L1033 HydrophobicContact CG-CD1 3.97Å; L499-L1033 HydrophobicContact CG-CD2 4.3Å; A500-L1033 HydrophobicContact CB-CB 4.16Å; A500-L1033 HydrophobicContact CB-CD2 3.96Å; A500-L1033 VanDerWaalsContact CB-O 3.3Å; A500-L1033 WeakPolarHBondContact CB-O 3.45Å; N504-L1033 PolarHBondContact ND2-O 3.35Å; L541-L1033 HydrophobicContact CD1-CD1 3.69Å; L541-L1033 HydrophobicContact CD1-CD2 3.7Å; L541-L1033 HydrophobicContact CD1-CG 3.59Å; L1027-L1033 HydrophobicContact CD2-CD1 4.49Å; S1030-L1033 PolarHBondContact O-N 3.08Å; S1030-L1033 PolarHBondContact OG-N 3.26Å; S1030-L1033 VanDerWaalsContact OG-N 3.15Å; K1031-L1033 VanDerWaalsContact C-N 3.33Å; K1031-L1033 PolarHBondContact O-N 2.95Å
1034	Q	93.8	Very high	82.8	Confident	27 Å²	27	46.1 Å²	46.1	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-75.7	-38.5	175.2	-72	165.5	29.7	0	0	111.6	L684 Y1028 S1030 K1031 Y1032 F1036 M1037 E1038	L684-Q1034 HydrophobicContact CD2-CG 4.49Å; L684-Q1034 PolarHBondContact O-NE2 3.44Å; Y1028-Q1034 PolarHBondContact O-NE2 3.19Å; S1030-Q1034 WeakPolarHBondContact O-CG 3.48Å; S1030-Q1034 PolarHBondContact O-N 2.83Å; S1030-Q1034 VanDerWaalsContact O-N 3.11Å; S1030-Q1034 PolarHBondContact O-NE2 3.03Å; K1031-Q1034 WeakPolarHBondContact O-CA 3.34Å; K1031-Q1034 WeakPolarHBondContact O-CB 3.48Å; K1031-Q1034 PolarHBondContact O-N 3.38Å; Y1032-Q1034 VanDerWaalsContact C-N 3.32Å; Y1032-Q1034 PolarHBondContact O-N 3.1Å; Q1034-F1036 PolarHBondContact O-N 2.87Å; Q1034-M1037 WeakPolarHBondContact O-CB 3.34Å; Q1034-M1037 PolarHBondContact O-N 3.14Å; Q1034-E1038 PolarHBondContact O-N 2.96Å
1035	K	90.4	Very high	80	Confident	54 Å²	54	51.2 Å²	51.2	24%	0.235	26%	0.263	C	S	.	.	H	α-helix	trans	-55.6	-44.5	177.8	-74.6	-173.8	177.7	-167	0	113.2	E603 D604 K1031 Y1032 M1037 E1038	E603-K1035 VanDerWaalsContact CB-NZ 3.26Å; E603-K1035 WeakPolarHBondContact OE2-CD 3.24Å; E603-K1035 WeakPolarHBondContact OE2-CE 2.84Å; E603-K1035 IonicContact OE2-NZ 3.78Å; E603-K1035 PolarHBondContact OE2-NZ 2.87Å; D604-K1035 WeakPolarHBondContact OD1-CE 3.49Å; D604-K1035 IonicContact OD1-NZ 2.77Å; D604-K1035 PolarHBondContact OD1-NZ 2.93Å; K1031-K1035 PolarHBondContact O-N 3.04Å; Y1032-K1035 PolarHBondContact O-N 3.11Å; K1035-M1037 PolarHBondContact O-N 3.43Å; K1035-M1037 VanDerWaalsContact O-N 3.07Å; K1035-E1038 PolarHBondContact O-N 2.83Å
1036	F	89.6	Confident	77.1	Confident	31 Å²	31	52.2 Å²	52.2	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-21.4	175.5	-67.8	-60.8	0	0	0	114.4	A496 V497 A500 Y1032 Q1034 A1049	A496-F1036 HydrophobicContact CB-CE2 3.97Å; A496-F1036 HydrophobicContact CB-CZ 4.31Å; V497-F1036 HydrophobicContact CG2-CB 4.44Å; V497-F1036 HydrophobicContact CG2-CD1 3.53Å; V497-F1036 HydrophobicContact CG2-CE1 3.83Å; V497-F1036 HydrophobicContact CG2-CG 3.93Å; V497-F1036 HydrophobicContact CG2-CZ 4.45Å; A500-F1036 HydrophobicContact CB-CB 3.91Å; A500-F1036 HydrophobicContact CB-CD2 4.21Å; A500-F1036 HydrophobicContact CB-CG 4.49Å; Y1032-F1036 HydrophobicContact CD1-CE2 4.13Å; Y1032-F1036 HydrophobicContact CD2-CE2 4.31Å; Y1032-F1036 AromaticContact CE1-CE2 3.68Å; Y1032-F1036 HydrophobicContact CE1-CE2 3.68Å; Y1032-F1036 HydrophobicContact CE1-CZ 4.36Å; Y1032-F1036 AromaticContact CE2-CE2 3.87Å; Y1032-F1036 HydrophobicContact CE2-CE2 3.87Å; Y1032-F1036 AromaticContact CE2-CZ 3.97Å; Y1032-F1036 HydrophobicContact CE2-CZ 3.97Å; Y1032-F1036 HydrophobicContact CG-CE2 4.43Å; Y1032-F1036 AromaticContact CZ-CE2 3.53Å; Y1032-F1036 AromaticContact CZ-CZ 3.76Å; Y1032-F1036 WeakPolarHBondContact O-CD2 3.43Å; Q1034-F1036 PolarHBondContact O-N 2.87Å; F1036-A1049 HydrophobicContact CE1-CB 4.15Å; F1036-A1049 HydrophobicContact CZ-CB 4.24Å; F1036-A1049 WeakPolarHBondContact CZ-O 3.4Å
1037	M	89.1	Confident	74.4	Confident	76 Å²	76	59 Å²	59	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-85	-17	175.9	-57.1	-60.3	-57.9	0	0	113	A500 I501 N504 T505 Q1034 K1035	A500-M1037 HydrophobicContact CB-SD 4.37Å; I501-M1037 HydrophobicContact CG1-SD 4.31Å; N504-M1037 HydrophobicContact CB-CE 4.2Å; N504-M1037 HydrophobicContact CB-CG 3.76Å; N504-M1037 HydrophobicContact CB-SD 4.03Å; N504-M1037 VanDerWaalsContact ND2-CG 3.35Å; N504-M1037 WeakPolarHBondContact ND2-CG 3.49Å; T505-M1037 HydrophobicContact CG2-CE 4.33Å; Q1034-M1037 WeakPolarHBondContact O-CB 3.34Å; Q1034-M1037 PolarHBondContact O-N 3.14Å; K1035-M1037 PolarHBondContact O-N 3.43Å; K1035-M1037 VanDerWaalsContact O-N 3.07Å
1038	E	84.5	Confident	71.6	Confident	103 Å²	103	66.1 Å²	66.1	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-94.1	-3.7	-179.5	-62.9	-122.6	119.6	0	0	113.4	Q1034 K1035 H1040 K1041	Q1034-E1038 PolarHBondContact O-N 2.96Å; K1035-E1038 PolarHBondContact O-N 2.83Å; E1038-H1040 PolarHBondContact O-N 3.07Å; E1038-K1041 PolarHBondContact O-N 3.41Å; E1038-K1041 IonicContact OE1-NZ 3.37Å; E1038-K1041 PolarHBondContact OE1-NZ 3.24Å; E1038-K1041 IonicContact OE2-NZ 3.28Å; E1038-K1041 PolarHBondContact OE2-NZ 3.22Å
1039	A	68.1	Low	68.6	Low	31 Å²	31	65.8 Å²	65.8	26%	0.256	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-0.2	-176.6	0	0	0	0	0	117.7	A1046	A1039-A1046 HydrophobicContact CB-CB 3.46Å; A1039-A1046 VanDerWaalsContact CB-CB 3.46Å
1040	H	63.7	Low	65.7	Low	168 Å²	168	70.9 Å²	70.9	78%	0.778	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.9	169.5	-72.8	-50.4	0	0	0	114.3	E1038	E1038-H1040 PolarHBondContact O-N 3.07Å
1041	K	56.7	Low	62.9	Low	132 Å²	132	74.5 Å²	74.5	57%	0.574	39%	0.386	S	S	*	.	S	Bend	trans	-88.5	-59.4	174.6	-59.9	178.3	-166.7	166.5	0	110.4	E1038	E1038-K1041 PolarHBondContact O-N 3.41Å; E1038-K1041 IonicContact OE1-NZ 3.37Å; E1038-K1041 PolarHBondContact OE1-NZ 3.24Å; E1038-K1041 IonicContact OE2-NZ 3.28Å; E1038-K1041 PolarHBondContact OE2-NZ 3.22Å
1042	D	49.3	Very low	59.8	Low	97 Å²	97	79.6 Å²	79.6	52%	0.519	42%	0.415	S	S	.	.			trans	-116.4	83.4	-173.1	-61.9	-79.1	0	0	0	110.6	A1044 K1045 A1046	D1042-A1044 PolarHBondContact O-N 3.11Å; D1042-K1045 HydrophobicContact CB-CB 4.32Å; D1042-K1045 PolarHBondContact O-N 3.15Å; D1042-A1046 PolarHBondContact O-N 2.96Å
1043	S	44.1	Very low	56.8	Low	96 Å²	96	83.8 Å²	83.8	67%	0.671	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	10.7	-177.7	61.9	0	0	0	0	114.8	F1047	S1043-F1047 VanDerWaalsContact O-CD2 3.24Å; S1043-F1047 WeakPolarHBondContact O-CD2 3.47Å
1044	A	39.4	Very low	53.7	Low	68 Å²	68	92.1 Å²	92.1	56%	0.562	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-62.5	167.4	0	0	0	0	0	110.5	D1042 A1046 F1047	D1042-A1044 PolarHBondContact O-N 3.11Å; A1044-A1046 VanDerWaalsContact C-N 3.32Å; A1044-A1046 PolarHBondContact O-N 3.07Å; A1044-F1047 PolarHBondContact O-N 3.3Å
1045	K	40.6	Very low	50.5	Low	113 Å²	113	100 Å²	100	49%	0.491	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-55.7	-42.5	-176.8	-67.9	-173.4	175.5	-176.7	0	112.8	E607 D1042 F1047 Q1048	E607-K1045 IonicContact OE1-NZ 2.65Å; E607-K1045 PolarHBondContact OE1-NZ 3.4Å; D1042-K1045 HydrophobicContact CB-CB 4.32Å; D1042-K1045 PolarHBondContact O-N 3.15Å; K1045-F1047 PolarHBondContact O-N 3.22Å; K1045-Q1048 PolarHBondContact O-N 3.02Å
1046	A	37.6	Very low	47.5	Very low	22 Å²	22	103.4 Å²	103.4	18%	0.182	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-67.7	-2.9	-179.1	0	0	0	0	0	115.4	A1039 D1042 A1044	A1039-A1046 HydrophobicContact CB-CB 3.46Å; A1039-A1046 VanDerWaalsContact CB-CB 3.46Å; D1042-A1046 PolarHBondContact O-N 2.96Å; A1044-A1046 VanDerWaalsContact C-N 3.32Å; A1044-A1046 PolarHBondContact O-N 3.07Å
1047	F	40.8	Very low	44.5	Very low	143 Å²	143	109.7 Å²	109.7	63%	0.627	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-109.7	-3.3	173.6	-69.2	-92.8	0	0	0	113.5	S1043 A1044 K1045	S1043-F1047 VanDerWaalsContact O-CD2 3.24Å; S1043-F1047 WeakPolarHBondContact O-CD2 3.47Å; A1044-F1047 PolarHBondContact O-N 3.3Å; K1045-F1047 PolarHBondContact O-N 3.22Å
1048	Q	40.5	Very low	41.7	Very low	151 Å²	151	113 Å²	113	71%	0.706	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-8.5	173	-68.8	176.9	-64.4	0	0	112.9	K1045 T1050	K1045-Q1048 PolarHBondContact O-N 3.02Å; Q1048-T1050 PolarHBondContact O-N 2.95Å
1049	A	34.9	Very low	39	Very low	13 Å²	13	115.2 Å²	115.2	11%	0.107	61%	0.61	C	S	.	*			trans	-72.7	59.6	173.6	0	0	0	0	0	112.6	E603 F1036	E603-A1049 WeakPolarHBondContact OE1-CB 3.48Å; F1036-A1049 HydrophobicContact CE1-CB 4.15Å; F1036-A1049 HydrophobicContact CZ-CB 4.24Å; F1036-A1049 WeakPolarHBondContact CZ-O 3.4Å
1050	T	36.1	Very low	37.4	Very low	108 Å²	108	122.4 Å²	122.4	66%	0.663	64%	0.639	S	S	*	*			trans	-105.1	118	163.7	38.1	0	0	0	0	108.3	Q1048 D1052	Q1048-T1050 PolarHBondContact O-N 2.95Å; T1050-D1052 PolarHBondContact O-N 3.28Å
1051	I	37.8	Very low	36	Very low	76 Å²	76	121.7 Å²	121.7	39%	0.39	64%	0.64	S	S	.	*			trans	-63.3	125.2	161.9	-59.1	171.5	0	0	0	106	E540 Y1032 P1053	E540-I1051 HydrophobicContact CG-CD1 4.47Å; Y1032-I1051 HydrophobicContact CE1-CD1 4.17Å; Y1032-I1051 HydrophobicContact CE2-CD1 4.1Å; Y1032-I1051 HydrophobicContact CE2-CG1 4.08Å; I1051-P1053 WeakPolarHBondContact O-CD 3.45Å
1052	D	29.4	Very low	34.7	Very low	138 Å²	138	123.7 Å²	123.7	74%	0.738	66%	0.657	S	S	*	*			trans	-64.3	121.7	173	-89.2	-45.8	0	0	0	108.9	T1050 E1054	T1050-D1052 PolarHBondContact O-N 3.28Å; D1052-E1054 PolarHBondContact O-N 3.11Å
1053	P	31.4	Very low	33.7	Very low	112 Å²	112	125 Å²	125	73%	0.727	67%	0.668	S	S	*	*			trans	-75.5	95.7	169.4	31.5	-29.4	0	0	0	107.1	I1051 E1055	I1051-P1053 WeakPolarHBondContact O-CD 3.45Å; P1053-E1055 PolarHBondContact O-N 3.34Å; P1053-E1055 VanDerWaalsContact O-N 3.13Å
1054	E	29.2	Very low	33.3	Very low	176 Å²	176	125.9 Å²	125.9	82%	0.822	67%	0.672	S	S	*	*			trans	-47.2	123.5	168.3	-72.2	-177.1	148.4	0	0	108.8	D1052 V1056	D1052-E1054 PolarHBondContact O-N 3.11Å; E1054-V1056 PolarHBondContact O-N 3.41Å
1055	E	27.4	Very low	32.7	Very low	191 Å²	191	131 Å²	131	89%	0.893	68%	0.684	S	S	*	*			trans	-68.5	102.9	176.2	-67.5	-162.8	130	0	0	107.5	P1053 Q1057	P1053-E1055 PolarHBondContact O-N 3.34Å; P1053-E1055 VanDerWaalsContact O-N 3.13Å; E1055-Q1057 VanDerWaalsContact C-N 3.3Å; E1055-Q1057 PolarHBondContact O-N 3.12Å
1056	V	27	Very low	32.2	Very low	127 Å²	127	133.5 Å²	133.5	77%	0.77	70%	0.701	S	S	*	*			trans	-61.9	97.5	172.4	178.9	0	0	0	0	107.6	E1054 D1058	E1054-V1056 PolarHBondContact O-N 3.41Å; V1056-D1058 PolarHBondContact O-N 3.11Å
1057	Q	27.1	Very low	31.9	Very low	162 Å²	162	138.8 Å²	138.8	76%	0.757	73%	0.731	S	S	*	*			trans	-73.8	114.1	173.4	-165.1	163.6	-4.4	0	0	107.1	E1055 D1059	E1055-Q1057 VanDerWaalsContact C-N 3.3Å; E1055-Q1057 PolarHBondContact O-N 3.12Å; Q1057-D1059 VanDerWaalsContact C-N 3.35Å; Q1057-D1059 PolarHBondContact O-N 3.19Å
1058	D	30	Very low	31.5	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	73%	0.729	S	S	*	*			trans	-69.9	89.6	177.7	-75.1	-47.4	0	0	0	109.2	V1056 E1060	V1056-D1058 PolarHBondContact O-N 3.11Å; D1058-E1060 PolarHBondContact O-N 3.06Å
1059	D	28.1	Very low	31.1	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	76%	0.756	S	S	*	*			trans	-70.2	93.6	172.4	-86.5	-24.4	0	0	0	110.6	Q1057	Q1057-D1059 VanDerWaalsContact C-N 3.35Å; Q1057-D1059 PolarHBondContact O-N 3.19Å
1060	E	33.4	Very low	31	Very low	182 Å²	182	147.7 Å²	147.7	85%	0.85	79%	0.788	S	S	*	*			trans	-78.2	120.5	169.7	-71.6	-168.5	139.7	0	0	111.8	D1058	D1058-E1060 PolarHBondContact O-N 3.06Å
1061	D	34.4	Very low	30.7	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	80%	0.795	S	S	*	*			trans	38.1	89.8	155.8	-70.9	-23.4	0	0	0	119.3
1062	L	29.9	Very low	30.3	Very low	174 Å²	174	153.8 Å²	153.8	91%	0.911	82%	0.817	S	S	*	*			trans	-122.4	90.9	152.1	-84.7	175	0	0	0	111.5	P1064	L1062-P1064 WeakPolarHBondContact O-CD 3.38Å
1063	T	29.3	Very low	30.3	Very low	124 Å²	124	154.8 Å²	154.8	76%	0.761	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.5	122.5	171	52.2	0	0	0	0	110.9
1064	P	34.7	Very low	30.3	Very low	115 Å²	115	157.4 Å²	157.4	75%	0.747	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.6	126	169.1	30.7	-31.7	0	0	0	110.7	L1062 I1066	L1062-P1064 WeakPolarHBondContact O-CD 3.38Å; P1064-I1066 PolarHBondContact O-N 3.09Å
1065	E	27.6	Very low	30.4	Very low	176 Å²	176	156.2 Å²	156.2	82%	0.822	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.5	116.6	170.4	-68.4	-171.1	130.9	0	0	110.3	T1067	E1065-T1067 PolarHBondContact O-N 2.97Å
1066	I	30.4	Very low	30.6	Very low	164 Å²	164	153.7 Å²	153.7	84%	0.841	82%	0.824	S	S	*	*			trans	-78	93.3	171.6	-57.1	177	0	0	0	108.3	P1064	P1064-I1066 PolarHBondContact O-N 3.09Å
1067	T	30.9	Very low	30.8	Very low	134 Å²	134	155.8 Å²	155.8	82%	0.822	83%	0.828	S	S	*	*			trans	-86.9	118.8	153.4	47.1	0	0	0	0	107.4	E1065	E1065-T1067 PolarHBondContact O-N 2.97Å
1068	G	33	Very low	31.2	Very low	57 Å²	57	155.3 Å²	155.3	59%	0.588	83%	0.834	S	S	*	*			trans	-90.5	156.6	-164	0	0	0	0	0	115
1069	F	32	Very low	31.3	Very low	288 Å²	288	156.2 Å²	156.2	100%	1.263	84%	0.839	S	S	*	*			trans	-146.2	0	135.6	-103.7	-71.2	0	0	0	109.5

Retrieved 1,069 of 1,069 residues in 7025.2 ms (Link to these results)

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