A0A087XBJ4_POEFO Loading...

Euchromatic histone-lysine N-methyltransferase 2

AlphaFold DB , UniProt , Accession A0A087XBJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 931 aa.

						>A0A087XBJ4_POEFO|A0A087XBJ4
MCGNHNLVVCGFQLENGGEEKQPITNTEDQSLESERKSSRPQSDQDKDTITIDLGETEEERSAEYTEVPLGDLDIAAADSLTLSPPADGSEAGDMERLEELPLCSCRMEAPRVDSTSQRASRQCMATESLNGELQACTNWTMKAETMRPSSRIPLMVLCDVHRSHMVKHHCCPGCGYFCIAGTFLECCPDQRIAHRFHRGCVTVLSGGRSKANGGGMLFCPHCGEDASEAQEIIIPSSASTSATTVVTMSASSTTTPSLPPSAPTAPSLTASTGGMKDGKMPERPVSARMRSHGLAAPTVEQQPPPPVPSATTLPAVPPAEEGVDSVGPSLCMPNGKSVSPSALPPGPSRAALQKAILTQETERRKKLRFHPRQLYPAAKQGEVQRVLLMLMEGIDPTYQPESQNRRSALHAAAQRGLLEVCYMLIQAGAQVDAKDKDLRTPLLEAVINNHVDVARYLIQNGACVYHVEEDGYTGLHHAAKLGNLEIVNMLLETGQVDVNAQDNGGWTPIIWAAEHKHVQVIKSLLNRGADVSIKDKELNVCLHWAAYAGNIDIAELVLNSGCSLSSVNVHGDTPLHIAAREGYLECVTLFLSRGADIDIMNREGDTPLSLARPDTPVWVSLQINRKLRRGIANRLIRTERIICSDVAQGYENIPIPCVNAVDDEGCPSDYKYVSENCETSAMNIDRNITHLQHCSCTDDCSSSNCLCGQLSIRCWYDKDQRLLQEFNKIEPPLIFECNMACSCYRTCKNRVVQAGIKVRLQLYRTEKMGWGVRAMQDIPQGSFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNLIPVRVFMLHQDLRFPRIAFFSSRDILSGQELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARMDACSESGADCGMTFMGNS
					

Structure Viewer

Loading PAE data...

(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	27.8	Very low	30.4	Very low	249 Å²	249	139.4 Å²	139.4	100%	1.227	84%	0.842	S	S	*	*				0	164.6	0	-77.6	175.4	166.6	0	0	108.3
2	C	30.8	Very low	30.4	Very low	143 Å²	143	143.9 Å²	143.9	97%	0.966	84%	0.843	S	S	*	*			trans	-76.1	161.5	-163.3	-52.4	0	0	0	0	114.4
3	G	27.9	Very low	30.1	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	84%	0.843	S	S	*	*			trans	178.1	62.6	176.1	0	0	0	0	0	112.7
4	N	37.6	Very low	30	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	84%	0.835	S	S	*	*			trans	-77	154.6	171.2	-87.9	6.4	0	0	0	111.2
5	H	32	Very low	30	Very low	171 Å²	171	148.6 Å²	148.6	79%	0.792	84%	0.836	S	S	*	*			trans	148.9	136.4	145.8	-76.9	-50.4	0	0	0	108.7
6	N	28.1	Very low	30	Very low	130 Å²	130	150 Å²	150	70%	0.695	84%	0.841	S	S	*	*			cis	-153.2	142.3	-12.7	-111.8	1.6	0	0	0	107.7
7	L	31.1	Very low	29.8	Very low	157 Å²	157	145.8 Å²	145.8	82%	0.822	84%	0.839	S	S	*	*			trans	-79.7	149.1	152.9	-85.4	77.3	0	0	0	108.2
8	V	28.2	Very low	29.6	Very low	132 Å²	132	141.7 Å²	141.7	80%	0.8	83%	0.834	S	S	*	*			trans	-116	118.7	162.3	177.4	0	0	0	0	107.4
9	V	33.7	Very low	29.5	Very low	126 Å²	126	144.3 Å²	144.3	76%	0.764	84%	0.837	S	S	*	*			trans	-124.3	115.9	172.2	175.6	0	0	0	0	107.4
10	C	27.8	Very low	29.4	Very low	123 Å²	123	145.5 Å²	145.5	83%	0.831	83%	0.834	S	S	*	*			trans	-142.3	144.3	163.2	-72.8	0	0	0	0	106.6
11	G	29.1	Very low	29.4	Very low	74 Å²	74	146.8 Å²	146.8	76%	0.763	83%	0.83	S	S	*	*			cis	157.6	110.8	-2.4	0	0	0	0	0	109.3
12	F	30.6	Very low	29.4	Very low	194 Å²	194	143.4 Å²	143.4	85%	0.851	81%	0.812	S	S	*	*			trans	-62.9	155.8	-179.1	-91.6	-100.3	0	0	0	112.8	L14	F12-L14 HydrophobicContact CD1-CD1 3.9Å; F12-L14 HydrophobicContact CD1-CG 4.25Å; F12-L14 HydrophobicContact CE1-CD1 4.15Å
13	Q	26.3	Very low	30.2	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	80%	0.802	S	S	*	*			trans	-135	111.7	152.7	-149.3	162.3	-11.1	0	0	109.9
14	L	29.8	Very low	30.2	Very low	140 Å²	140	146.5 Å²	146.5	73%	0.733	81%	0.805	S	S	*	*			trans	-129.9	133.4	173	-83.6	167	0	0	0	106.7	F12	F12-L14 HydrophobicContact CD1-CD1 3.9Å; F12-L14 HydrophobicContact CD1-CG 4.25Å; F12-L14 HydrophobicContact CE1-CD1 4.15Å
15	E	29.1	Very low	29.7	Very low	180 Å²	180	145.1 Å²	145.1	84%	0.841	80%	0.802	S	S	*	*			trans	-108.3	139.3	170.3	-66.2	-165	143	0	0	110
16	N	29.7	Very low	29.6	Very low	171 Å²	171	144 Å²	144	91%	0.914	80%	0.802	S	S	*	*			trans	-100.6	131.5	-178.2	-82	-37.2	0	0	0	111.3
17	G	26.4	Very low	29.5	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	81%	0.811	S	S	*	*			trans	-121.8	137.6	153.7	0	0	0	0	0	108.4
18	G	26.7	Very low	29.5	Very low	72 Å²	72	145.8 Å²	145.8	74%	0.742	81%	0.812	S	S	*	*			trans	-114.9	-158.3	-169.9	0	0	0	0	0	114.9
19	E	28.3	Very low	29.4	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	81%	0.81	S	S	*	*			trans	75.2	141.6	-178	-53	-176.8	156.9	0	0	113.9
20	E	26.4	Very low	29.1	Very low	168 Å²	168	147.7 Å²	147.7	79%	0.785	81%	0.808	S	S	*	*			cis	-145.2	-162.1	-7.1	-134.5	-159	151.6	0	0	112.9
21	K	30.1	Very low	29.1	Very low	173 Å²	173	146.7 Å²	146.7	75%	0.752	80%	0.802	S	S	*	*			trans	-102.6	143	-168.9	-54.5	157	-174.6	148	0	113.2
22	Q	28.3	Very low	29	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	80%	0.803	S	S	*	*				164.9	157.4	108.9	-88	-166.7	23.5	0	0	112.9
23	P	46.4	Very low	28.7	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	80%	0.801	S	S	*	*			trans	-101.2	150	179.3	38.1	-32.3	0	0	0	113.8
24	I	28.2	Very low	28.7	Very low	168 Å²	168	146 Å²	146	86%	0.862	80%	0.798	S	S	*	*			trans	-135.3	157.7	170.1	-57.9	-177.4	0	0	0	109.9
25	T	28.1	Very low	28.6	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	79%	0.793	S	S	*	*			trans	-96.2	171.2	-160.5	51.3	0	0	0	0	116.5
26	N	29.2	Very low	28.6	Very low	147 Å²	147	146.1 Å²	146.1	79%	0.786	79%	0.787	S	S	*	*			trans	-17.8	147.1	159.5	-44.1	-0.5	0	0	0	118
27	T	26.1	Very low	28.5	Very low	145 Å²	145	146.4 Å²	146.4	89%	0.89	78%	0.781	S	S	*	*				-155.2	155.9	123.2	15.9	0	0	0	0	111.4
28	E	31.2	Very low	28.4	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	77%	0.774	S	S	*	*			trans	-95.1	160.6	171.4	-61.6	161.4	112.7	0	0	110.6
29	D	26.2	Very low	28.3	Very low	141 Å²	141	149.4 Å²	149.4	75%	0.754	78%	0.778	S	S	*	*			trans	145.5	156.6	149.4	-85.3	-15.7	0	0	0	111.4
30	Q	27.1	Very low	28.2	Very low	158 Å²	158	150 Å²	150	74%	0.738	77%	0.772	S	S	*	*			cis	171.1	129.7	-33.9	-112.6	-168.6	87.7	0	0	105.7
31	S	27.5	Very low	28.7	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	77%	0.772	S	S	*	*			trans	64.9	151.3	151.2	70.7	0	0	0	0	123.5
32	L	27.2	Very low	28.6	Very low	150 Å²	150	147 Å²	147	79%	0.785	77%	0.771	S	S	*	*			trans	121.3	92.3	154.3	-66.5	172.9	0	0	0	112.5
33	E	25.4	Very low	28.4	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	77%	0.766	S	S	*	*				74.8	100.7	64.8	-70.2	-153.1	129	0	0	116.5
34	S	25.1	Very low	27.7	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	76%	0.764	S	S	*	*			trans	-170.1	124.4	135.2	8.1	0	0	0	0	107.2
35	E	28.3	Very low	27.8	Very low	133 Å²	133	144.1 Å²	144.1	62%	0.621	76%	0.76	S	S	*	*				63.3	128.5	64.1	-63.2	-130.6	120	0	0	112.7
36	R	28.7	Very low	27.8	Very low	191 Å²	191	143.6 Å²	143.6	72%	0.721	75%	0.752	S	S	*	*			cis	-162.8	173.7	6.9	-101.4	167.5	-176.3	158.2	13.6	107
37	K	27.1	Very low	27.8	Very low	177 Å²	177	144.4 Å²	144.4	77%	0.77	75%	0.749	S	S	*	*			cis	-160.3	-173	10.2	-136.6	178.8	-179.9	-178.9	0	112.7
38	S	25.5	Very low	27.8	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	75%	0.748	S	S	*	*			trans	-35.7	167	161.1	61.8	0	0	0	0	119.1
39	S	25	Very low	27.6	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	74%	0.735	S	S	*	*			cis	-162.7	168.3	35.7	63.9	0	0	0	0	116.3
40	R	25.6	Very low	27.6	Very low	203 Å²	203	141.7 Å²	141.7	77%	0.766	74%	0.737	S	S	*	*			trans	-130.8	158.7	170.1	-158.8	-164.9	-149.5	-171.8	13.5	108.1
41	P	36.5	Very low	27.5	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	74%	0.739	S	S	*	*			trans	-132.9	171.4	144.7	35.2	-22.2	0	0	0	114
42	Q	27.8	Very low	27.6	Very low	156 Å²	156	143.2 Å²	143.2	73%	0.729	75%	0.745	S	S	*	*			trans	-141.1	157.3	174.8	-80.8	173.1	-116.1	0	0	109.8
43	S	25.5	Very low	27.4	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	75%	0.746	S	S	*	*			trans	-155.8	130.4	159.5	47.9	0	0	0	0	106.4
44	D	30.3	Very low	27.5	Very low	133 Å²	133	143 Å²	143	71%	0.711	75%	0.749	S	S	*	*				67.8	147.5	65.7	-63.2	-42	0	0	0	113.1
45	Q	29.8	Very low	27.5	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	75%	0.749	S	S	*	*			cis	-170.5	162.7	-16.6	-103	172.2	53.3	0	0	106.2
46	D	29.1	Very low	27.4	Very low	110 Å²	110	144.1 Å²	144.1	59%	0.588	76%	0.763	S	S	*	*			cis	-178.3	157.6	-24.2	177.7	30.1	0	0	0	109.2
47	K	28.6	Very low	27.2	Very low	164 Å²	164	142.1 Å²	142.1	71%	0.713	77%	0.772	S	S	*	*			trans	62.7	141.5	171.1	-69.1	167.5	-174.7	91.8	0	120.9
48	D	25.9	Very low	27.2	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	78%	0.777	S	S	*	*				-155.4	178.5	106.5	-134.5	-26.6	0	0	0	114.3
49	T	27.3	Very low	27.1	Very low	94 Å²	94	147.4 Å²	147.4	58%	0.577	79%	0.789	S	S	*	*			trans	-143.5	163	-133.1	-32.6	0	0	0	0	115.4
50	I	27	Very low	27.2	Very low	153 Å²	153	150.9 Å²	150.9	79%	0.785	79%	0.792	S	S	*	*			trans	71.7	144.9	166.5	-22.5	175.6	0	0	0	113.7
51	T	24.9	Very low	27.1	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	80%	0.797	S	S	*	*			cis	-150.3	170.2	27.8	-37.8	0	0	0	0	112.7
52	I	29.5	Very low	26.6	Very low	160 Å²	160	151 Å²	151	82%	0.821	79%	0.792	S	S	*	*			trans	-111.9	140.6	173	-58.7	161.3	0	0	0	109.6
53	D	23.8	Very low	26.5	Very low	153 Å²	153	148.6 Å²	148.6	82%	0.818	80%	0.799	S	S	*	*			trans	-151.7	172.9	149.3	-148.7	-10.7	0	0	0	111.9
54	L	26.7	Very low	26.5	Very low	164 Å²	164	151.9 Å²	151.9	86%	0.859	80%	0.803	S	S	*	*			trans	-101.9	154.4	-163.2	-64.1	155.6	0	0	0	114.1
55	G	24	Very low	26.4	Very low	78 Å²	78	154.9 Å²	154.9	80%	0.804	81%	0.805	S	S	*	*			trans	173.9	125.6	166.4	0	0	0	0	0	114
56	E	27.1	Very low	26.3	Very low	193 Å²	193	153 Å²	153	90%	0.902	81%	0.805	S	S	*	*			trans	-91.9	140.3	174.3	-58.4	170.6	129.1	0	0	110.9
57	T	23.9	Very low	26.2	Very low	149 Å²	149	155.6 Å²	155.6	91%	0.914	81%	0.814	S	S	*	*			trans	-169.1	155.7	133.6	21.3	0	0	0	0	110.7
58	E	27.4	Very low	26.2	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.883	81%	0.809	S	S	*	*			trans	-82.1	140.4	175	-55.7	171.1	119.6	0	0	111.2
59	E	23.5	Very low	26.4	Very low	194 Å²	194	149.3 Å²	149.3	91%	0.907	80%	0.797	S	S	*	*			trans	-163.9	169	146.5	-118.1	168.9	-153.5	0	0	111.9
60	E	26.9	Very low	26.7	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	81%	0.811	S	S	*	*			trans	-78.1	124.9	-158.7	-57.8	178.2	122.8	0	0	114.3	S62	E60-S62 PolarHBondContact O-N 3.05Å
61	R	23.9	Very low	27.2	Very low	229 Å²	229	148.7 Å²	148.7	86%	0.864	81%	0.806	S	S	*	*			trans	-81.3	105.6	166.9	-75.6	-164.8	74	-157.7	3.3	111.5	A63	R61-A63 PolarHBondContact O-N 3.33Å
62	S	25.9	Very low	27.6	Very low	100 Å²	100	149 Å²	149	70%	0.699	80%	0.803	S	S	*	*			trans	-56.3	132.6	153.9	51.2	0	0	0	0	110.4	E60 E64	E60-S62 PolarHBondContact O-N 3.05Å; S62-E64 PolarHBondContact O-N 2.71Å; S62-E64 VanDerWaalsContact O-N 3.15Å
63	A	26	Very low	27.7	Very low	106 Å²	106	146.9 Å²	146.9	88%	0.876	79%	0.792	S	S	*	*			trans	-76.1	101.5	174.4	0	0	0	0	0	109.9	R61	R61-A63 PolarHBondContact O-N 3.33Å
64	E	24.6	Very low	28	Very low	173 Å²	173	147 Å²	147	81%	0.808	79%	0.793	S	S	*	*			trans	-69.8	140.8	-178.3	-159.2	164.4	-151.5	0	0	111.5	S62 T66	S62-E64 PolarHBondContact O-N 2.71Å; S62-E64 VanDerWaalsContact O-N 3.15Å; E64-T66 PolarHBondContact O-N 3.44Å
65	Y	28.4	Very low	28.3	Very low	195 Å²	195	144.8 Å²	144.8	77%	0.765	78%	0.781	S	S	*	*			trans	-89	106.3	-172.5	-174.4	-92.5	0	0	0	110.5	E67	Y65-E67 HydrophobicContact CD1-CG 3.96Å; Y65-E67 HydrophobicContact CE1-CG 4.03Å; Y65-E67 PolarHBondContact O-N 3.33Å
66	T	28.1	Very low	28.7	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	78%	0.778	S	S	*	*			trans	-74.7	106.7	172.5	49.6	0	0	0	0	110.5	E64	E64-T66 PolarHBondContact O-N 3.44Å
67	E	28	Very low	28.9	Very low	164 Å²	164	141 Å²	141	77%	0.766	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-65.7	130.2	165.9	-62.7	-174.3	160.6	0	0	109.6	Y65	Y65-E67 HydrophobicContact CD1-CG 3.96Å; Y65-E67 HydrophobicContact CE1-CG 4.03Å; Y65-E67 PolarHBondContact O-N 3.33Å
68	V	28.6	Very low	29.2	Very low	101 Å²	101	136.8 Å²	136.8	61%	0.612	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-93.3	126.7	174.7	-178.9	0	0	0	0	108.2
69	P	30.3	Very low	29.2	Very low	93 Å²	93	135.4 Å²	135.4	60%	0.604	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-58.6	140.7	176.7	-25	35.2	0	0	0	112.4	G71	P69-G71 PolarHBondContact O-N 2.9Å
70	L	32.8	Very low	29.5	Very low	168 Å²	168	131.6 Å²	131.6	88%	0.88	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	19.4	-178	-70.2	166.7	0	0	0	114.7
71	G	36.9	Very low	29.5	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-24.3	177.7	0	0	0	0	0	114.7	P69	P69-G71 PolarHBondContact O-N 2.9Å
72	D	33.4	Very low	29.6	Very low	138 Å²	138	123.1 Å²	123.1	74%	0.738	73%	0.732	S	S	*	*	S	Bend	trans	-102.7	25.6	-169.1	-61.9	-42.4	0	0	0	113.6
73	L	30.8	Very low	29.6	Very low	114 Å²	114	125.2 Å²	125.2	60%	0.597	73%	0.734	S	S	*	*			trans	-124.7	116.9	176.7	-72.4	173.9	0	0	0	110.7	I75	L73-I75 HydrophobicContact CB-CG1 4.31Å; L73-I75 PolarHBondContact O-N 3.27Å; L73-I75 VanDerWaalsContact O-N 3.16Å
74	D	31.9	Very low	29.7	Very low	155 Å²	155	125.5 Å²	125.5	83%	0.829	73%	0.73	S	S	*	*			trans	-78.8	92.8	178.1	-172.3	1.7	0	0	0	110.8	A76	D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.47Å
75	I	33	Very low	30.2	Very low	118 Å²	118	123.3 Å²	123.3	61%	0.605	73%	0.73	S	S	*	*			trans	-94.2	58.9	-177.3	-50.1	176.8	0	0	0	110.2	L73 A77 A78	L73-I75 HydrophobicContact CB-CG1 4.31Å; L73-I75 PolarHBondContact O-N 3.27Å; L73-I75 VanDerWaalsContact O-N 3.16Å; I75-A77 VanDerWaalsContact C-N 3.25Å; I75-A77 PolarHBondContact O-N 2.98Å; I75-A78 HydrophobicContact CG2-CB 3.8Å
76	A	31.5	Very low	30.3	Very low	91 Å²	91	120 Å²	120	75%	0.752	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	8.1	175.7	0	0	0	0	0	114.6	D74	D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.47Å
77	A	30.5	Very low	30.5	Very low	100 Å²	100	118.8 Å²	118.8	83%	0.826	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	15.8	-165.1	0	0	0	0	0	115.7	I75	I75-A77 VanDerWaalsContact C-N 3.25Å; I75-A77 PolarHBondContact O-N 2.98Å
78	A	31.2	Very low	30.7	Very low	62 Å²	62	119 Å²	119	51%	0.512	74%	0.742	S	S	.	*			trans	-106.7	-27.6	-174.5	0	0	0	0	0	115.5	I75 S80	I75-A78 HydrophobicContact CG2-CB 3.8Å; A78-S80 PolarHBondContact O-N 3.28Å
79	D	27.5	Very low	30.7	Very low	159 Å²	159	118 Å²	118	85%	0.85	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	19.7	-161.9	-70.1	-16.1	0	0	0	116.3
80	S	29	Very low	30.6	Very low	114 Å²	114	119.8 Å²	119.8	80%	0.797	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-1.5	-174.1	-64.1	0	0	0	0	115.5	A78	A78-S80 PolarHBondContact O-N 3.28Å
81	L	27	Very low	30.6	Very low	106 Å²	106	120.8 Å²	120.8	56%	0.555	77%	0.767	S	S	*	*			trans	-137.7	75.5	-174.4	-71.3	176.3	0	0	0	114.4
82	T	26.4	Very low	30.3	Very low	137 Å²	137	123 Å²	123	84%	0.84	78%	0.778	S	S	*	*			trans	-126.8	107.3	161.9	56.4	0	0	0	0	111.3
83	L	27	Very low	30	Very low	143 Å²	143	119.9 Å²	119.9	75%	0.749	78%	0.779	S	S	*	*			trans	-112.9	132.8	172.9	-72.8	174	0	0	0	111.1
84	S	27.9	Very low	30.4	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-98.6	150	172.2	-66.4	0	0	0	0	110.9
85	P	34.8	Very low	30.3	Very low	126 Å²	126	124.1 Å²	124.1	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.3	139.4	-172.2	32.3	-35.2	0	0	0	113.5
86	P	30.6	Very low	30.3	Very low	127 Å²	127	127.9 Å²	127.9	83%	0.825	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.6	154.4	163.1	35.2	-31.4	0	0	0	112.2
87	A	30.8	Very low	30.4	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	82%	0.82	S	S	*	*			trans	-99.2	179.6	174.7	0	0	0	0	0	112.4
88	D	32.1	Very low	30.7	Very low	170 Å²	170	138 Å²	138	91%	0.909	82%	0.823	S	S	*	*			trans	-55.6	142.6	-167.8	-68.9	-63.8	0	0	0	117.4
89	G	29.2	Very low	31.3	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	83%	0.828	S	S	*	*				110	82.4	120.2	0	0	0	0	0	119.9
90	S	29.5	Very low	32.2	Very low	130 Å²	130	139 Å²	139	91%	0.909	81%	0.812	S	S	*	*			trans	-167.1	161.3	135.2	-161	0	0	0	0	111
91	E	32.3	Very low	33.1	Very low	190 Å²	190	136.1 Å²	136.1	89%	0.888	79%	0.787	S	S	*	*			trans	-95	162.1	-172	-67.1	-170	132.1	0	0	115.7
92	A	29.3	Very low	34.2	Very low	111 Å²	111	131.4 Å²	131.4	92%	0.917	76%	0.763	S	S	*	*			trans	93.7	104.2	154.4	0	0	0	0	0	119.1
93	G	28.8	Very low	35.8	Very low	74 Å²	74	128.3 Å²	128.3	76%	0.763	74%	0.741	S	S	*	*			trans	150.5	93	164.4	0	0	0	0	0	112.8	M95	G93-M95 PolarHBondContact O-N 3.14Å; G93-M95 VanDerWaalsContact O-N 3.17Å
94	D	37.4	Very low	37.6	Very low	177 Å²	177	122.9 Å²	122.9	95%	0.947	71%	0.714	S	S	*	*			trans	-65.2	113.3	176.7	-77.7	-52.3	0	0	0	111.4
95	M	29.7	Very low	39.3	Very low	180 Å²	180	119.5 Å²	119.5	89%	0.887	69%	0.691	S	S	*	*			trans	-121.5	137.6	159.4	-83.7	-171.9	63.7	0	0	109.9	G93 R97	G93-M95 PolarHBondContact O-N 3.14Å; G93-M95 VanDerWaalsContact O-N 3.17Å; M95-R97 PolarHBondContact O-N 3.08Å
96	E	34.3	Very low	40.4	Very low	198 Å²	198	113.7 Å²	113.7	93%	0.925	65%	0.653	S	S	*	*			trans	-68.9	118.4	-167.2	-157.6	160.2	-149.5	0	0	111.1	L98	E96-L98 PolarHBondContact O-N 3.45Å
97	R	33.7	Very low	41.5	Very low	235 Å²	235	115.9 Å²	115.9	89%	0.887	65%	0.645	S	S	*	*			trans	-78.3	106.3	-171.3	-148.3	176.1	-172.7	151.2	-0.4	109.6	M95 E99	M95-R97 PolarHBondContact O-N 3.08Å; R97-E99 PolarHBondContact O-N 3Å
98	L	35.9	Very low	42.5	Very low	169 Å²	169	118 Å²	118	89%	0.885	64%	0.64	S	S	*	*			trans	-65.3	116.8	170.1	-75.9	164.1	0	0	0	109.4	E96 E100	E96-L98 PolarHBondContact O-N 3.45Å; L98-E100 PolarHBondContact O-N 3.35Å
99	E	43.4	Very low	43.7	Very low	132 Å²	132	114.7 Å²	114.7	62%	0.617	62%	0.619	S	S	*	*			trans	-80.9	101.4	174.2	-66.3	-165	127.1	0	0	110.2	R97 L101	R97-E99 PolarHBondContact O-N 3Å; E99-L101 PolarHBondContact O-N 2.89Å
100	E	46.4	Very low	45.1	Very low	109 Å²	109	112 Å²	112	51%	0.509	59%	0.589	S	S	.	*			trans	-58.1	123.7	172	-68.1	-179.6	162.9	0	0	110.9	L98 R152	L98-E100 PolarHBondContact O-N 3.35Å; E100-R152 PolarHBondContact O-NH2 2.9Å
101	L	48.1	Very low	46.3	Very low	53 Å²	53	111.3 Å²	111.3	28%	0.277	58%	0.581	S	S	.	*			trans	-58.1	126	175.2	-67.8	173.7	0	0	0	109.9	E99 L103 T203 L205 F219	E99-L101 PolarHBondContact O-N 2.89Å; L101-L103 PolarHBondContact O-N 2.7Å; L101-T203 HydrophobicContact CD2-CG2 3.61Å; L101-L205 HydrophobicContact CD2-CD1 4.16Å; L101-F219 HydrophobicContact CD2-CB 4.05Å; L101-F219 HydrophobicContact CD2-CG 4.36Å
102	P	51.5	Low	47.4	Very low	7 Å²	7	109.7 Å²	109.7	5%	0.045	57%	0.567	C	S	.	*			trans	-68.8	114.9	171.3	27.7	-30.7	0	0	0	109.2	P221	P102-P221 HydrophobicContact CG-CB 4.43Å; P102-P221 CarbonylContact O-C 3.43Å; P102-P221 WeakPolarHBondContact O-CA 3.23Å
103	L	58.7	Low	48.5	Very low	72 Å²	72	109 Å²	109	38%	0.377	55%	0.551	S	S	.	*			trans	-99.4	158	174.2	-62.2	177.5	0	0	0	111.3	L101 S105 S150	L101-L103 PolarHBondContact O-N 2.7Å; L103-S105 PolarHBondContact O-N 2.85Å; L103-S150 WeakPolarHBondContact O-CB 3.21Å
104	C	66.4	Low	49.3	Very low	29 Å²	29	113.1 Å²	113.1	20%	0.196	56%	0.556	C	S	.	*			trans	-75.4	122.3	-179.8	157.6	0	0	0	0	112.1	C106 P149 H169 P173 H222	C104-C106 VanDerWaalsContact C-N 3.34Å; C104-C106 WeakPolarHBondContact CB-SG 3.47Å; C104-C106 WeakPolarHBondContact SG-CB 3.31Å; C104-C106 PolarHBondContact SG-N 2.97Å; C104-C106 CovalentContact SG-SG 2.04Å; C104-C106 PolarHBondContact SG-SG 2.94Å; C104-P149 CarbonylContact C-O 3.58Å; C104-P149 VanDerWaalsContact CA-O 3.26Å; C104-P149 WeakPolarHBondContact CA-O 3.49Å; C104-H169 VanDerWaalsContact SG-CE1 3.53Å; C104-H169 PolarHBondContact SG-ND1 2.82Å; C104-P173 HydrophobicContact CB-CG 3.84Å; C104-H222 HydrophobicContact CB-CB 4.05Å; C104-H222 PolarHBondContact N-O 2.84Å
105	S	62.4	Low	49.4	Very low	42 Å²	42	109 Å²	109	29%	0.294	54%	0.541	S	S	.	.			trans	-94.4	16.5	173.1	-47.1	0	0	0	0	113.1	L103 R107 M108 P149	L103-S105 PolarHBondContact O-N 2.85Å; S105-R107 PolarHBondContact O-N 2.81Å; S105-M108 PolarHBondContact O-N 2.9Å; S105-M108 VanDerWaalsContact O-N 3.16Å; S105-P149 PolarHBondContact N-O 3.26Å
106	C	58.6	Low	50.1	Low	4 Å²	4	107.4 Å²	107.4	3%	0.027	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	16.6	-154.9	-32.3	0	0	0	0	116.5	C104 P149 M166	C104-C106 VanDerWaalsContact C-N 3.34Å; C104-C106 WeakPolarHBondContact CB-SG 3.47Å; C104-C106 WeakPolarHBondContact SG-CB 3.31Å; C104-C106 PolarHBondContact SG-N 2.97Å; C104-C106 CovalentContact SG-SG 2.04Å; C104-C106 PolarHBondContact SG-SG 2.94Å; C106-P149 PolarHBondContact SG-O 3.19Å; C106-M166 HydrophobicContact CB-CG 3.99Å; C106-M166 HydrophobicContact CB-SD 3.94Å
107	R	53.6	Low	50.5	Low	173 Å²	173	102.8 Å²	102.8	65%	0.653	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-6.4	175.6	-64.1	-172.9	-179.3	-170.7	2.3	114.3	S105	S105-R107 PolarHBondContact O-N 2.81Å
108	M	51.3	Low	50.9	Low	144 Å²	144	100.1 Å²	100.1	71%	0.709	53%	0.529	S	S	*	.			trans	-87.6	108.8	-177.4	-62.9	-72.1	-83.6	0	0	110.9	S105	S105-M108 PolarHBondContact O-N 2.9Å; S105-M108 VanDerWaalsContact O-N 3.16Å
109	E	57.3	Low	51.3	Low	101 Å²	101	104.7 Å²	104.7	47%	0.472	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-76.2	118.6	161.5	-63.5	-157.3	150.5	0	0	108.6	E145 M147 R163	E109-E145 HydrophobicContact CB-CB 4.3Å; E109-M147 HydrophobicContact CG-CG 4.37Å; E109-M147 HydrophobicContact CG-SD 3.94Å; E109-R163 IonicContact OE1-CZ 3.69Å; E109-R163 IonicContact OE1-NH1 3.44Å; E109-R163 PolarHBondContact OE1-NH1 3.27Å; E109-R163 IonicContact OE2-NH1 3.83Å
110	A	57.9	Low	51.4	Low	23 Å²	23	101.6 Å²	101.6	19%	0.19	53%	0.531	C	S	.	.	B	Isolated β-bridge	trans	-88.6	149.2	-177.7	0	0	0	0	0	111.7	T146 L155	A110-T146 WeakPolarHBondContact CB-O 3.47Å; A110-T146 PolarHBondContact N-O 3.25Å; A110-L155 HydrophobicContact CB-CD1 4.27Å; A110-L155 HydrophobicContact CB-CD2 3.73Å
111	P	55.7	Low	51.8	Low	114 Å²	114	100.2 Å²	100.2	74%	0.74	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-52.4	152.9	-179.3	-28.4	35.6	0	0	0	114.3	V113	P111-V113 PolarHBondContact O-N 3.4Å
112	R	55.8	Low	52.8	Low	156 Å²	156	106.1 Å²	106.1	59%	0.589	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.7	179.9	-66.5	-179	-178.8	168.5	3	110.4	D114 E145	R112-D114 VanDerWaalsContact C-N 3.32Å; R112-D114 PolarHBondContact O-N 3.31Å; R112-D114 VanDerWaalsContact O-N 3.09Å; R112-E145 IonicContact CZ-OE1 3.25Å; R112-E145 IonicContact NE-OE1 2.85Å; R112-E145 PolarHBondContact NE-OE1 2.91Å; R112-E145 IonicContact NH2-OE1 3.66Å; R112-E145 PolarHBondContact NH2-OE1 3.31Å
113	V	52	Low	54	Low	97 Å²	97	109.4 Å²	109.4	59%	0.588	57%	0.567	S	S	*	*			trans	-85.5	77.2	177.7	-172.6	0	0	0	0	109	P111 S115	P111-V113 PolarHBondContact O-N 3.4Å; V113-S115 PolarHBondContact O-N 2.64Å
114	D	44.7	Very low	55.4	Low	161 Å²	161	106.4 Å²	106.4	86%	0.861	55%	0.552	S	S	*	*			trans	-69.8	79.9	174.2	-84.2	-32.1	0	0	0	110.8	R112	R112-D114 VanDerWaalsContact C-N 3.32Å; R112-D114 PolarHBondContact O-N 3.31Å; R112-D114 VanDerWaalsContact O-N 3.09Å
115	S	39.4	Very low	56.4	Low	90 Å²	90	109.9 Å²	109.9	63%	0.629	57%	0.566	S	S	*	*			trans	-111.1	118	172.5	58.3	0	0	0	0	109.8	V113 S117	V113-S115 PolarHBondContact O-N 2.64Å; S115-S117 VanDerWaalsContact C-N 3.28Å; S115-S117 PolarHBondContact O-N 3.1Å
116	T	44.9	Very low	57.5	Low	146 Å²	146	107.9 Å²	107.9	90%	0.896	55%	0.552	S	S	*	*	S	Bend	trans	-78.3	65.6	-169.8	51.2	0	0	0	0	113
117	S	43.6	Very low	58.9	Low	102 Å²	102	109.6 Å²	109.6	71%	0.713	56%	0.563	S	S	*	*			trans	-163.9	70.7	168.9	-84.9	0	0	0	0	115.4	S115	S115-S117 VanDerWaalsContact C-N 3.28Å; S115-S117 PolarHBondContact O-N 3.1Å
118	Q	41.6	Very low	60.4	Low	178 Å²	178	102.8 Å²	102.8	83%	0.832	54%	0.538	S	S	*	.			trans	-167.7	123.6	143.9	-113.4	147.8	88.2	0	0	114.8	A120	Q118-A120 VanDerWaalsContact C-N 3.29Å; Q118-A120 WeakPolarHBondContact CB-O 3.48Å
119	R	44.6	Very low	61.8	Low	266 Å²	266	96.1 Å²	96.1	100%	1.004	51%	0.506	S	S	*	.			trans	-94.6	45.5	161.8	-101.7	-172	175.1	-179.6	-0.7	111
120	A	45.4	Very low	62.7	Low	66 Å²	66	93.3 Å²	93.3	55%	0.545	49%	0.494	S	S	.	.			trans	-166.2	129.5	171.1	0	0	0	0	0	107.9	Q118	Q118-A120 VanDerWaalsContact C-N 3.29Å; Q118-A120 WeakPolarHBondContact CB-O 3.48Å
121	S	53.7	Low	63.1	Low	81 Å²	81	98.1 Å²	98.1	57%	0.566	52%	0.517	S	S	*	.			cis	-138.9	161.3	-9.1	62.4	0	0	0	0	109.3	Q123	S121-Q123 PolarHBondContact O-N 3.32Å; S121-Q123 VanDerWaalsContact OG-CB 3.26Å; S121-Q123 WeakPolarHBondContact OG-CB 3.48Å
122	R	68.8	Low	63.6	Low	176 Å²	176	95.6 Å²	95.6	66%	0.664	51%	0.511	S	S	*	.			trans	-82.9	51.7	170.9	-69.7	-174.4	-179.5	-175.7	-1.7	110.6	W140 T141	R122-W140 HydrophobicContact CB-CE3 3.64Å; R122-W140 HydrophobicContact CB-CZ3 3.87Å; R122-W140 CarbonylContact O-C 3.53Å; R122-W140 WeakPolarHBondContact O-CA 3.42Å; R122-T141 PolarHBondContact O-N 3.44Å; R122-T141 PolarHBondContact O-OG1 3.21Å
123	Q	78.4	Confident	64.5	Low	77 Å²	77	95.6 Å²	95.6	36%	0.36	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-119.6	150.6	-172.6	-157.6	163.8	31.1	0	0	111.1	S121 M125 T138 N139	S121-Q123 PolarHBondContact O-N 3.32Å; S121-Q123 VanDerWaalsContact OG-CB 3.26Å; S121-Q123 WeakPolarHBondContact OG-CB 3.48Å; Q123-M125 PolarHBondContact O-N 3.33Å; Q123-T138 PolarHBondContact NE2-O 3.01Å; Q123-N139 WeakPolarHBondContact CA-O 3.4Å
124	C	86.6	Confident	65.9	Low	9 Å²	9	95.3 Å²	95.3	6%	0.061	51%	0.512	C	S	.	.			trans	-71	126.7	-175	-171.9	0	0	0	0	111.2	A126 C137 N139 T141 C159	C124-A126 PolarHBondContact O-N 2.98Å; C124-A126 WeakPolarHBondContact SG-CB 3.42Å; C124-C137 HydrophobicContact CB-CB 4.02Å; C124-C137 VanDerWaalsContact O-O 3.1Å; C124-N139 WeakPolarHBondContact CB-O 3.12Å; C124-N139 PolarHBondContact N-O 3.4Å; C124-T141 HydrophobicContact CB-CG2 4.2Å; C124-C159 HydrophobicContact CB-CB 4.09Å; C124-C159 PolarHBondContact SG-N 2.83Å; C124-C159 VanDerWaalsContact SG-SG 3.62Å
125	M	87.4	Confident	67.7	Low	102 Å²	102	92.8 Å²	92.8	50%	0.502	50%	0.495	S	S	.	.			trans	-81.8	7.2	177.6	-63	174.5	65.2	0	0	113.4	Q123 M156 V157	Q123-M125 PolarHBondContact O-N 3.33Å; M125-M156 HydrophobicContact CB-CB 3.99Å; M125-M156 HydrophobicContact CB-CG 4.15Å; M125-V157 PolarHBondContact N-O 3.17Å; M125-V157 HydrophobicContact SD-CB 4.08Å; M125-V157 HydrophobicContact SD-CG2 4.04Å; M125-V157 PolarHBondContact SD-N 3.5Å
126	A	86.9	Confident	69.9	Low	0 Å²	0	91.7 Å²	91.7	0%	0	49%	0.492	C	S	.	.			trans	-69.8	135.3	178.8	0	0	0	0	0	111.9	C124 C137 L158 H162 F178	C124-A126 PolarHBondContact O-N 2.98Å; C124-A126 WeakPolarHBondContact SG-CB 3.42Å; A126-C137 HydrophobicContact CB-CB 3.96Å; A126-C137 WeakPolarHBondContact O-CB 3.49Å; A126-C137 PolarHBondContact O-N 3.05Å; A126-L158 HydrophobicContact CB-CD2 3.78Å; A126-H162 HydrophobicContact CB-CB 4.19Å; A126-H162 VanDerWaalsContact CB-CG 3.49Å; A126-F178 HydrophobicContact CB-CD2 3.79Å; A126-F178 HydrophobicContact CB-CE2 3.54Å; A126-F178 HydrophobicContact CB-CZ 4.47Å
127	T	86.7	Confident	71.8	Confident	40 Å²	40	85 Å²	85	25%	0.245	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.7	162.7	-59.9	0	0	0	0	108.8	L134 Q135 Y177 F178	T127-L134 HydrophobicContact CG2-CB 3.91Å; T127-L134 HydrophobicContact CG2-CD2 4.16Å; T127-L134 HydrophobicContact CG2-CG 4.48Å; T127-Q135 WeakPolarHBondContact CA-O 3.14Å; T127-Y177 HydrophobicContact CG2-CD1 3.79Å; T127-Y177 HydrophobicContact CG2-CE1 4.06Å; T127-Y177 WeakPolarHBondContact O-CA 3.42Å; T127-F178 PolarHBondContact O-N 3.19Å
128	E	86.8	Confident	73.7	Confident	30 Å²	30	84.7 Å²	84.7	14%	0.14	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.7	177	-61.5	174	-132.7	0	0	109.1	L130 L134 Q135 C137 H162 I180	E128-L130 HydrophobicContact CB-CG 4.34Å; E128-L134 WeakPolarHBondContact O-CA 3.43Å; E128-Q135 PolarHBondContact N-O 2.94Å; E128-Q135 PolarHBondContact O-N 3.14Å; E128-C137 WeakPolarHBondContact OE1-CB 3.42Å; E128-C137 PolarHBondContact OE1-SG 3.26Å; E128-C137 VanDerWaalsContact OE1-SG 3.35Å; E128-H162 WeakPolarHBondContact CG-NE2 3.25Å; E128-H162 IonicContact OE1-CE1 2.67Å; E128-H162 PolarHBondContact OE1-CE1 3.11Å; E128-H162 VanDerWaalsContact OE1-CE1 3.26Å; E128-H162 IonicContact OE1-NE2 2.91Å; E128-I180 HydrophobicContact CG-CD1 3.92Å
129	S	79.4	Confident	75.7	Confident	4 Å²	4	80.1 Å²	80.1	3%	0.028	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.8	169.2	-172.3	0	0	0	0	108.3	E133 F178 A181 H198	S129-E133 WeakPolarHBondContact CA-O 3.5Å; S129-F178 PolarHBondContact N-O 3.16Å; S129-A181 VanDerWaalsContact O-O 3.13Å; S129-H198 WeakPolarHBondContact CB-NE2 3.47Å; S129-H198 PolarHBondContact OG-NE2 3.44Å
130	L	75.6	Confident	77.5	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.22	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	105.9	-177.4	-62.2	177.1	0	0	0	108.4	E128 G132 E133 Q135 A181	E128-L130 HydrophobicContact CB-CG 4.34Å; L130-G132 PolarHBondContact O-N 2.65Å; L130-E133 PolarHBondContact N-O 3.12Å; L130-E133 PolarHBondContact O-N 3.33Å; L130-Q135 HydrophobicContact CD1-CB 4.36Å; L130-A181 WeakPolarHBondContact CA-O 3.14Å; L130-A181 HydrophobicContact CD2-CB 3.96Å
131	N	67.8	Low	79.2	Confident	124 Å²	124	73.7 Å²	73.7	66%	0.663	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	20.3	-175.8	-57.5	-32.7	0	0	0	115.1	A181 G182	N131-A181 PolarHBondContact N-O 3.02Å; N131-G182 WeakPolarHBondContact OD1-CA 3.22Å
132	G	66.1	Low	79.9	Confident	60 Å²	60	77.3 Å²	77.3	62%	0.619	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-10.2	-176.1	0	0	0	0	0	114.9	L130	L130-G132 PolarHBondContact O-N 2.65Å
133	E	74.4	Confident	80	Confident	157 Å²	157	73.6 Å²	73.6	73%	0.734	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.6	166.6	-61.9	-169	156.8	0	0	110.5	S129 L130	S129-E133 WeakPolarHBondContact CA-O 3.5Å; L130-E133 PolarHBondContact N-O 3.12Å; L130-E133 PolarHBondContact O-N 3.33Å
134	L	81.4	Confident	79.4	Confident	91 Å²	91	72.7 Å²	72.7	48%	0.476	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.4	-175.6	-62.1	179.1	0	0	0	110.6	T127 E128 Y177	T127-L134 HydrophobicContact CG2-CB 3.91Å; T127-L134 HydrophobicContact CG2-CD2 4.16Å; T127-L134 HydrophobicContact CG2-CG 4.48Å; E128-L134 WeakPolarHBondContact O-CA 3.43Å; L134-Y177 HydrophobicContact CD1-CD2 4.47Å; L134-Y177 HydrophobicContact CD1-CE1 4.24Å; L134-Y177 HydrophobicContact CD1-CE2 3.75Å; L134-Y177 HydrophobicContact CD2-CD1 4.26Å; L134-Y177 HydrophobicContact CD2-CD2 3.52Å; L134-Y177 HydrophobicContact CD2-CE1 4.37Å; L134-Y177 HydrophobicContact CD2-CE2 3.65Å; L134-Y177 HydrophobicContact CD2-CG 3.85Å; L134-Y177 HydrophobicContact CG-CE2 4.37Å
135	Q	82.6	Confident	79	Confident	107 Å²	107	73.7 Å²	73.7	50%	0.5	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.7	178.7	-174.6	175.4	-51.3	0	0	110.6	T127 E128 L130	T127-Q135 WeakPolarHBondContact CA-O 3.14Å; E128-Q135 PolarHBondContact N-O 2.94Å; E128-Q135 PolarHBondContact O-N 3.14Å; L130-Q135 HydrophobicContact CD1-CB 4.36Å
136	A	84.8	Confident	78.7	Confident	68 Å²	68	69.4 Å²	69.4	56%	0.562	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.3	172.1	0	0	0	0	0	110.7	T138	A136-T138 PolarHBondContact O-N 3.47Å
137	C	85.3	Confident	78.4	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.027	38%	0.379	C	S	.	.			trans	-73.5	120.6	-179.2	-168.6	0	0	0	0	111.2	C124 A126 E128 N139 H162	C124-C137 HydrophobicContact CB-CB 4.02Å; C124-C137 VanDerWaalsContact O-O 3.1Å; A126-C137 HydrophobicContact CB-CB 3.96Å; A126-C137 WeakPolarHBondContact O-CB 3.49Å; A126-C137 PolarHBondContact O-N 3.05Å; E128-C137 WeakPolarHBondContact OE1-CB 3.42Å; E128-C137 PolarHBondContact OE1-SG 3.26Å; E128-C137 VanDerWaalsContact OE1-SG 3.35Å; C137-N139 VanDerWaalsContact C-N 3.32Å; C137-N139 PolarHBondContact O-N 3.31Å; C137-N139 PolarHBondContact SG-ND2 3.37Å; C137-N139 VanDerWaalsContact SG-ND2 3.4Å; C137-H162 PolarHBondContact SG-CE1 2.58Å
138	T	83.6	Confident	78.2	Confident	96 Å²	96	72.5 Å²	72.5	59%	0.589	39%	0.385	S	S	*	.			trans	-85.6	-1.1	-177.2	53.5	0	0	0	0	114.2	Q123 A136	Q123-T138 PolarHBondContact NE2-O 3.01Å; A136-T138 PolarHBondContact O-N 3.47Å
139	N	84.2	Confident	77.8	Confident	83 Å²	83	71.1 Å²	71.1	44%	0.444	38%	0.378	S	S	.	.			trans	-69.1	154.7	-176.1	-72.7	-42.8	0	0	0	113.5	Q123 C124 C137 C159	Q123-N139 WeakPolarHBondContact CA-O 3.4Å; C124-N139 WeakPolarHBondContact CB-O 3.12Å; C124-N139 PolarHBondContact N-O 3.4Å; C137-N139 VanDerWaalsContact C-N 3.32Å; C137-N139 PolarHBondContact O-N 3.31Å; C137-N139 PolarHBondContact SG-ND2 3.37Å; C137-N139 VanDerWaalsContact SG-ND2 3.4Å; N139-C159 HydrophobicContact CB-CB 4.22Å
140	W	81.3	Confident	77.8	Confident	182 Å²	182	70.9 Å²	70.9	69%	0.689	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-84.5	154.7	-178.4	-70.1	71	0	0	0	112.6	R122 C159	R122-W140 HydrophobicContact CB-CE3 3.64Å; R122-W140 HydrophobicContact CB-CZ3 3.87Å; R122-W140 CarbonylContact O-C 3.53Å; R122-W140 WeakPolarHBondContact O-CA 3.42Å; W140-C159 VanDerWaalsContact O-CB 3.23Å; W140-C159 WeakPolarHBondContact O-CB 3.41Å
141	T	81.1	Confident	77.6	Confident	14 Å²	14	72.7 Å²	72.7	9%	0.086	39%	0.392	C	S	.	.			trans	-110.2	130.6	-177.9	53.4	0	0	0	0	111.6	R122 C124 V157 C159	R122-T141 PolarHBondContact O-N 3.44Å; R122-T141 PolarHBondContact O-OG1 3.21Å; C124-T141 HydrophobicContact CB-CG2 4.2Å; T141-V157 HydrophobicContact CG2-CG1 3.92Å; T141-C159 HydrophobicContact CG2-CB 4.43Å
142	M	68.9	Low	77.8	Confident	157 Å²	157	73.8 Å²	73.8	77%	0.773	39%	0.387	S	S	*	.			trans	-102.2	-39	-179	-67.5	-63	-71.5	0	0	112.7
143	K	70.5	Confident	78.4	Confident	99 Å²	99	72 Å²	72	43%	0.43	36%	0.364	S	S	.	.			trans	-94.7	151.6	177	-72.2	-166.5	174.7	-167.2	0	112.1	E145 R163	K143-E145 WeakPolarHBondContact CB-OE2 3.39Å; K143-R163 VanDerWaalsContact CB-CZ 3.47Å; K143-R163 VanDerWaalsContact CD-NH1 3.26Å
144	A	66.5	Low	78.6	Confident	57 Å²	57	69.3 Å²	69.3	47%	0.471	36%	0.359	S	S	.	.			trans	-110.8	-6.8	-170.3	0	0	0	0	0	115.1
145	E	77.5	Confident	78.6	Confident	30 Å²	30	68 Å²	68	14%	0.14	35%	0.353	C	S	.	.			trans	-65.3	152.4	170.3	-48	67.9	-131.9	0	0	109.7	E109 R112 K143 R163	E109-E145 HydrophobicContact CB-CB 4.3Å; R112-E145 IonicContact CZ-OE1 3.25Å; R112-E145 IonicContact NE-OE1 2.85Å; R112-E145 PolarHBondContact NE-OE1 2.91Å; R112-E145 IonicContact NH2-OE1 3.66Å; R112-E145 PolarHBondContact NH2-OE1 3.31Å; K143-E145 WeakPolarHBondContact CB-OE2 3.39Å; E145-R163 PolarHBondContact O-NH2 3Å; E145-R163 IonicContact OE2-CZ 2.72Å; E145-R163 IonicContact OE2-NH1 2.82Å; E145-R163 PolarHBondContact OE2-NH1 3.02Å; E145-R163 IonicContact OE2-NH2 3.56Å; E145-R163 PolarHBondContact OE2-NH2 2.85Å
146	T	81.7	Confident	78.6	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.08	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-108.7	150.8	178.4	58.4	0	0	0	0	110.7	A110 L155 M156 V157	A110-T146 WeakPolarHBondContact CB-O 3.47Å; A110-T146 PolarHBondContact N-O 3.25Å; T146-L155 HydrophobicContact CG2-CB 4.5Å; T146-M156 WeakPolarHBondContact CA-O 3.42Å; T146-V157 HydrophobicContact CG2-CG2 3.93Å
147	M	80.5	Confident	78.6	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.034	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-136.5	156.9	178.1	-48.8	-163.2	-48.6	0	0	110.7	E109 M156 L158 R163 M166	E109-M147 HydrophobicContact CG-CG 4.37Å; E109-M147 HydrophobicContact CG-SD 3.94Å; M147-M156 PolarHBondContact N-O 3.46Å; M147-M156 PolarHBondContact O-N 2.88Å; M147-L158 HydrophobicContact CB-CD1 4.24Å; M147-L158 HydrophobicContact CE-CD1 3.76Å; M147-R163 HydrophobicContact CE-CB 3.98Å; M147-R163 HydrophobicContact CE-CG 3.85Å; M147-M166 HydrophobicContact CE-CB 3.6Å; M147-M166 HydrophobicContact CE-CG 3.8Å
148	R	82.9	Confident	78.6	Confident	98 Å²	98	62.1 Å²	62.1	37%	0.37	32%	0.316	S	S	.	.			trans	-144.8	146	174.2	60.9	-175.1	178	166.9	-2.7	110.9	S150 S151 I153 L155	R148-S150 VanDerWaalsContact CD-O 3.28Å; R148-S150 WeakPolarHBondContact CD-O 3.17Å; R148-S150 WeakPolarHBondContact CG-O 3.27Å; R148-S151 PolarHBondContact NH1-O 3.44Å; R148-I153 WeakPolarHBondContact CD-O 3.49Å; R148-L155 HydrophobicContact CB-CD2 4.16Å; R148-L155 HydrophobicContact CG-CD2 3.87Å
149	P	77.1	Confident	78.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-78.8	-19.1	178.8	31.7	-34.9	0	0	0	113.3	C104 S105 C106 I153 M166 C171	C104-P149 CarbonylContact C-O 3.58Å; C104-P149 VanDerWaalsContact CA-O 3.26Å; C104-P149 WeakPolarHBondContact CA-O 3.49Å; S105-P149 PolarHBondContact N-O 3.26Å; C106-P149 PolarHBondContact SG-O 3.19Å; P149-I153 HydrophobicContact CG-CB 4.02Å; P149-I153 HydrophobicContact CG-CG1 4.01Å; P149-I153 HydrophobicContact CG-CG2 3.99Å; P149-M166 HydrophobicContact CB-CE 4.21Å; P149-M166 HydrophobicContact CB-SD 3.74Å; P149-M166 HydrophobicContact CG-CE 4.36Å; P149-C171 HydrophobicContact CB-CB 4.32Å
150	S	80.1	Confident	78.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-154.3	170	171.5	71.1	0	0	0	0	111.3	L103 R148 R152 I153 P173	L103-S150 WeakPolarHBondContact O-CB 3.21Å; R148-S150 VanDerWaalsContact CD-O 3.28Å; R148-S150 WeakPolarHBondContact CD-O 3.17Å; R148-S150 WeakPolarHBondContact CG-O 3.27Å; S150-R152 PolarHBondContact O-N 2.92Å; S150-R152 PolarHBondContact OG-N 3.25Å; S150-I153 PolarHBondContact O-N 3.26Å; S150-P173 WeakPolarHBondContact CB-O 3.37Å; S150-P173 PolarHBondContact OG-O 3.27Å
151	S	71.3	Confident	79.1	Confident	79 Å²	79	52.7 Å²	52.7	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.7	170.7	56.5	0	0	0	0	113.8	R148	R148-S151 PolarHBondContact NH1-O 3.44Å
152	R	72.1	Confident	79.5	Confident	148 Å²	148	52.2 Å²	52.2	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.9	-178.8	-57.8	-171.1	-176.4	-162.9	3.4	113.8	E100 S150	E100-R152 PolarHBondContact O-NH2 2.9Å; S150-R152 PolarHBondContact O-N 2.92Å; S150-R152 PolarHBondContact OG-N 3.25Å
153	I	79.6	Confident	80.3	Confident	23 Å²	23	45.4 Å²	45.4	12%	0.118	24%	0.241	C	C	.	.	S	Bend	trans	-104.2	135.9	-179.6	-58.7	-57.6	0	0	0	110.1	R148 P149 S150 M156 C175	R148-I153 WeakPolarHBondContact CD-O 3.49Å; P149-I153 HydrophobicContact CG-CB 4.02Å; P149-I153 HydrophobicContact CG-CG1 4.01Å; P149-I153 HydrophobicContact CG-CG2 3.99Å; S150-I153 PolarHBondContact O-N 3.26Å; I153-M156 HydrophobicContact CG2-CE 4.22Å; I153-C175 VanDerWaalsContact CD1-C 3.46Å
154	P	78.1	Confident	80.8	Confident	99 Å²	99	42.9 Å²	42.9	64%	0.643	24%	0.236	S	C	*	.			trans	-57.7	156.7	175.9	-26.6	35.8	0	0	0	113.9
155	L	81.3	Confident	81.7	Confident	65 Å²	65	42 Å²	42	34%	0.34	22%	0.222	S	C	.	.			trans	-66.7	130.8	171.7	-74.2	172	0	0	0	110.8	A110 T146 R148	A110-L155 HydrophobicContact CB-CD1 4.27Å; A110-L155 HydrophobicContact CB-CD2 3.73Å; T146-L155 HydrophobicContact CG2-CB 4.5Å; R148-L155 HydrophobicContact CB-CD2 4.16Å; R148-L155 HydrophobicContact CG-CD2 3.87Å
156	M	82.4	Confident	81.9	Confident	16 Å²	16	40.6 Å²	40.6	8%	0.079	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-118.4	139.9	-177.6	-67.9	-178.9	-75	0	0	111.3	M125 T146 M147 I153 L158 M166	M125-M156 HydrophobicContact CB-CB 3.99Å; M125-M156 HydrophobicContact CB-CG 4.15Å; T146-M156 WeakPolarHBondContact CA-O 3.42Å; M147-M156 PolarHBondContact N-O 3.46Å; M147-M156 PolarHBondContact O-N 2.88Å; I153-M156 HydrophobicContact CG2-CE 4.22Å; M156-L158 HydrophobicContact CB-CD2 3.87Å; M156-L158 HydrophobicContact CB-CG 4Å; M156-L158 HydrophobicContact SD-CD2 4.33Å; M156-M166 HydrophobicContact CE-CE 4.04Å
157	V	84.3	Confident	81.7	Confident	38 Å²	38	43.6 Å²	43.6	23%	0.23	23%	0.233	C	C	.	.			trans	-86.6	122	163.3	-170.5	0	0	0	0	108	M125 T141 T146	M125-V157 PolarHBondContact N-O 3.17Å; M125-V157 HydrophobicContact SD-CB 4.08Å; M125-V157 HydrophobicContact SD-CG2 4.04Å; M125-V157 PolarHBondContact SD-N 3.5Å; T141-V157 HydrophobicContact CG2-CG1 3.92Å; T146-V157 HydrophobicContact CG2-CG2 3.93Å
158	L	86	Confident	81.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.			trans	-121.7	141.5	-169.7	-62.1	172.5	0	0	0	111.3	A126 M147 M156 H162 R163 M166 F178	A126-L158 HydrophobicContact CB-CD2 3.78Å; M147-L158 HydrophobicContact CB-CD1 4.24Å; M147-L158 HydrophobicContact CE-CD1 3.76Å; M156-L158 HydrophobicContact CB-CD2 3.87Å; M156-L158 HydrophobicContact CB-CG 4Å; M156-L158 HydrophobicContact SD-CD2 4.33Å; L158-H162 HydrophobicContact CB-CB 4.1Å; L158-H162 HydrophobicContact CD2-CB 4.17Å; L158-R163 HydrophobicContact CB-CG 3.97Å; L158-M166 HydrophobicContact CD1-CE 3.83Å; L158-F178 HydrophobicContact CD1-CZ 4.01Å; L158-F178 HydrophobicContact CD2-CE2 4.05Å; L158-F178 HydrophobicContact CD2-CZ 4.09Å
159	C	87.8	Confident	81.3	Confident	5 Å²	5	45 Å²	45	3%	0.034	24%	0.242	C	C	.	.			trans	-72.7	161.7	170.1	69.7	0	0	0	0	110.7	C124 N139 W140 T141 V161 H162 R163	C124-C159 HydrophobicContact CB-CB 4.09Å; C124-C159 PolarHBondContact SG-N 2.83Å; C124-C159 VanDerWaalsContact SG-SG 3.62Å; N139-C159 HydrophobicContact CB-CB 4.22Å; W140-C159 VanDerWaalsContact O-CB 3.23Å; W140-C159 WeakPolarHBondContact O-CB 3.41Å; T141-C159 HydrophobicContact CG2-CB 4.43Å; C159-V161 VanDerWaalsContact C-N 3.25Å; C159-V161 PolarHBondContact O-N 3.18Å; C159-V161 VanDerWaalsContact O-N 3.16Å; C159-H162 CarbonylContact O-C 3.27Å; C159-H162 WeakPolarHBondContact O-CA 3.32Å; C159-H162 PolarHBondContact O-N 3.46Å; C159-H162 PolarHBondContact SG-ND1 2.91Å; C159-R163 PolarHBondContact O-N 3.33Å
160	D	86	Confident	81.6	Confident	77 Å²	77	46.9 Å²	46.9	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-29.9	-167.8	-53	-71.7	0	0	0	113.5	R163 S164	D160-R163 PolarHBondContact O-N 3.39Å; D160-S164 PolarHBondContact O-N 2.96Å
161	V	86.4	Confident	81.9	Confident	82 Å²	82	46.9 Å²	46.9	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-52.3	169.5	-179.1	0	0	0	0	110.6	C159 S164 H165	C159-V161 VanDerWaalsContact C-N 3.25Å; C159-V161 PolarHBondContact O-N 3.18Å; C159-V161 VanDerWaalsContact O-N 3.16Å; V161-S164 PolarHBondContact O-N 3.48Å; V161-S164 PolarHBondContact O-OG 2.94Å; V161-H165 PolarHBondContact O-CD2 2.78Å; V161-H165 PolarHBondContact O-N 2.75Å
162	H	87.8	Confident	82.6	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-69.8	-30.9	179.1	-80.1	107.2	0	0	0	113.3	A126 E128 C137 L158 C159 H165 M166 F178	A126-H162 HydrophobicContact CB-CB 4.19Å; A126-H162 VanDerWaalsContact CB-CG 3.49Å; E128-H162 WeakPolarHBondContact CG-NE2 3.25Å; E128-H162 IonicContact OE1-CE1 2.67Å; E128-H162 PolarHBondContact OE1-CE1 3.11Å; E128-H162 VanDerWaalsContact OE1-CE1 3.26Å; E128-H162 IonicContact OE1-NE2 2.91Å; C137-H162 PolarHBondContact SG-CE1 2.58Å; L158-H162 HydrophobicContact CB-CB 4.1Å; L158-H162 HydrophobicContact CD2-CB 4.17Å; C159-H162 CarbonylContact O-C 3.27Å; C159-H162 WeakPolarHBondContact O-CA 3.32Å; C159-H162 PolarHBondContact O-N 3.46Å; C159-H162 PolarHBondContact SG-ND1 2.91Å; H162-H165 PolarHBondContact O-N 2.9Å; H162-M166 PolarHBondContact O-N 2.97Å; H162-F178 HydrophobicContact CB-CE1 4.28Å; H162-F178 HydrophobicContact CB-CE2 4.43Å; H162-F178 HydrophobicContact CB-CZ 3.99Å; H162-F178 AromaticContact CD2-CD1 3.64Å; H162-F178 AromaticContact CD2-CD2 3.56Å; H162-F178 AromaticContact CD2-CE1 3.77Å; H162-F178 AromaticContact CD2-CE2 3.71Å; H162-F178 AromaticContact CD2-CG 3.52Å; H162-F178 AromaticContact CD2-CZ 3.8Å; H162-F178 WeakPolarHBondContact O-CE1 3.37Å
163	R	85.9	Confident	83	Confident	15 Å²	15	36.1 Å²	36.1	6%	0.057	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-48.2	168.4	-67.1	-160.5	167.8	-156.4	8.2	110.8	E109 K143 E145 M147 L158 C159 D160 H165 M166 V167	E109-R163 IonicContact OE1-CZ 3.69Å; E109-R163 IonicContact OE1-NH1 3.44Å; E109-R163 PolarHBondContact OE1-NH1 3.27Å; E109-R163 IonicContact OE2-NH1 3.83Å; K143-R163 VanDerWaalsContact CB-CZ 3.47Å; K143-R163 VanDerWaalsContact CD-NH1 3.26Å; E145-R163 PolarHBondContact O-NH2 3Å; E145-R163 IonicContact OE2-CZ 2.72Å; E145-R163 IonicContact OE2-NH1 2.82Å; E145-R163 PolarHBondContact OE2-NH1 3.02Å; E145-R163 IonicContact OE2-NH2 3.56Å; E145-R163 PolarHBondContact OE2-NH2 2.85Å; M147-R163 HydrophobicContact CE-CB 3.98Å; M147-R163 HydrophobicContact CE-CG 3.85Å; L158-R163 HydrophobicContact CB-CG 3.97Å; C159-R163 PolarHBondContact O-N 3.33Å; D160-R163 PolarHBondContact O-N 3.39Å; R163-H165 VanDerWaalsContact C-N 3.28Å; R163-H165 PolarHBondContact O-N 3.05Å; R163-M166 PolarHBondContact O-N 2.89Å; R163-V167 PolarHBondContact O-N 2.87Å
164	S	82.5	Confident	82.9	Confident	46 Å²	46	36.7 Å²	36.7	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-31.4	178	85.5	0	0	0	0	113.4	D160 V161 K168	D160-S164 PolarHBondContact O-N 2.96Å; V161-S164 PolarHBondContact O-N 3.48Å; V161-S164 PolarHBondContact O-OG 2.94Å; S164-K168 WeakPolarHBondContact O-CB 3.34Å; S164-K168 WeakPolarHBondContact O-CD 3.49Å; S164-K168 VanDerWaalsContact O-CG 3.26Å; S164-K168 WeakPolarHBondContact O-CG 3.29Å; S164-K168 PolarHBondContact O-N 3.45Å
165	H	83.8	Confident	83.1	Confident	39 Å²	39	33.4 Å²	33.4	18%	0.181	19%	0.189	C	C	.	.	H	α-helix	trans	-76.2	-32.4	176.2	-76.2	-162	0	0	0	112.8	V161 H162 R163 K168 H169 H170 F178	V161-H165 PolarHBondContact O-CD2 2.78Å; V161-H165 PolarHBondContact O-N 2.75Å; H162-H165 PolarHBondContact O-N 2.9Å; R163-H165 VanDerWaalsContact C-N 3.28Å; R163-H165 PolarHBondContact O-N 3.05Å; H165-K168 CarbonylContact O-C 3.32Å; H165-K168 PolarHBondContact O-N 2.91Å; H165-H169 PolarHBondContact O-N 2.85Å; H165-H170 HydrophobicContact CB-CB 4.27Å; H165-H170 WeakPolarHBondContact O-CB 3.36Å; H165-H170 PolarHBondContact O-N 2.92Å; H165-F178 HydrophobicContact CB-CD1 3.9Å; H165-F178 HydrophobicContact CB-CE1 4.04Å
166	M	83.5	Confident	83.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-48.3	174	-170.9	69.3	76.1	0	0	111.2	C106 M147 P149 M156 L158 H162 R163 K168 H169 C171 F178	C106-M166 HydrophobicContact CB-CG 3.99Å; C106-M166 HydrophobicContact CB-SD 3.94Å; M147-M166 HydrophobicContact CE-CB 3.6Å; M147-M166 HydrophobicContact CE-CG 3.8Å; P149-M166 HydrophobicContact CB-CE 4.21Å; P149-M166 HydrophobicContact CB-SD 3.74Å; P149-M166 HydrophobicContact CG-CE 4.36Å; M156-M166 HydrophobicContact CE-CE 4.04Å; L158-M166 HydrophobicContact CD1-CE 3.83Å; H162-M166 PolarHBondContact O-N 2.97Å; R163-M166 PolarHBondContact O-N 2.89Å; M166-K168 PolarHBondContact O-N 2.98Å; M166-H169 WeakPolarHBondContact O-CA 3.37Å; M166-H169 PolarHBondContact O-N 3.04Å; M166-C171 HydrophobicContact CE-CB 4.21Å; M166-C171 HydrophobicContact SD-CB 3.76Å; M166-F178 HydrophobicContact CB-CE1 4.34Å; M166-F178 HydrophobicContact CE-CE1 4.23Å; M166-F178 HydrophobicContact CE-CZ 3.74Å
167	V	77.3	Confident	83.4	Confident	75 Å²	75	33.7 Å²	33.7	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-25.8	178.5	178.6	0	0	0	0	112.1	R163 H169	R163-V167 PolarHBondContact O-N 2.87Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-CD2 3.01Å; V167-H169 VanDerWaalsContact O-CD2 3.26Å; V167-H169 PolarHBondContact O-N 3.3Å
168	K	77.2	Confident	83.5	Confident	119 Å²	119	31.9 Å²	31.9	52%	0.517	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9.2	171.5	-70	172.3	-176.6	173.9	0	113.8	S164 H165 M166 H170	S164-K168 WeakPolarHBondContact O-CB 3.34Å; S164-K168 WeakPolarHBondContact O-CD 3.49Å; S164-K168 VanDerWaalsContact O-CG 3.26Å; S164-K168 WeakPolarHBondContact O-CG 3.29Å; S164-K168 PolarHBondContact O-N 3.45Å; H165-K168 CarbonylContact O-C 3.32Å; H165-K168 PolarHBondContact O-N 2.91Å; M166-K168 PolarHBondContact O-N 2.98Å; K168-H170 PolarHBondContact O-CD2 2.85Å; K168-H170 PolarHBondContact O-N 2.92Å; K168-H170 VanDerWaalsContact O-N 3.12Å
169	H	78.1	Confident	83.2	Confident	16 Å²	16	31.9 Å²	31.9	7%	0.074	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	22.2	179.6	-59	-108.8	0	0	0	114.2	C104 H165 M166 V167 C171 H195 H222	C104-H169 VanDerWaalsContact SG-CE1 3.53Å; C104-H169 PolarHBondContact SG-ND1 2.82Å; H165-H169 PolarHBondContact O-N 2.85Å; M166-H169 WeakPolarHBondContact O-CA 3.37Å; M166-H169 PolarHBondContact O-N 3.04Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-CD2 3.01Å; V167-H169 VanDerWaalsContact O-CD2 3.26Å; V167-H169 PolarHBondContact O-N 3.3Å; H169-C171 PolarHBondContact O-N 3.33Å; H169-H195 AromaticContact CG-CD2 3.94Å; H169-H195 AromaticContact ND1-CD2 3.89Å; H169-H195 AromaticContact ND1-NE2 3.75Å; H169-H222 AromaticContact ND1-ND1 3.92Å; H169-H222 PolarHBondContact O-CE1 2.81Å; H169-H222 PolarHBondContact O-NE2 3.45Å
170	H	82.8	Confident	82.6	Confident	40 Å²	40	34 Å²	34	19%	0.185	19%	0.186	C	C	.	.			trans	-84.4	28.8	177.4	-63.7	175.1	0	0	0	113.1	H165 K168 F178 C179 R196	H165-H170 HydrophobicContact CB-CB 4.27Å; H165-H170 WeakPolarHBondContact O-CB 3.36Å; H165-H170 PolarHBondContact O-N 2.92Å; K168-H170 PolarHBondContact O-CD2 2.85Å; K168-H170 PolarHBondContact O-N 2.92Å; K168-H170 VanDerWaalsContact O-N 3.12Å; H170-F178 WeakPolarHBondContact O-CA 3.5Å; H170-C179 PolarHBondContact O-N 2.81Å; H170-R196 PolarHBondContact NE2-NH1 3.24Å
171	C	86	Confident	82.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-133.5	124.9	179.4	-171.7	0	0	0	0	109.3	P149 M166 H169 P173 G176 F178 H222	P149-C171 HydrophobicContact CB-CB 4.32Å; M166-C171 HydrophobicContact CE-CB 4.21Å; M166-C171 HydrophobicContact SD-CB 3.76Å; H169-C171 PolarHBondContact O-N 3.33Å; C171-P173 VanDerWaalsContact O-CD 3.25Å; C171-P173 WeakPolarHBondContact O-CD 3.46Å; C171-G176 PolarHBondContact SG-O 2.88Å; C171-G176 VanDerWaalsContact SG-O 3.39Å; C171-F178 HydrophobicContact CB-CD1 3.69Å; C171-F178 HydrophobicContact CB-CE1 3.74Å; C171-F178 HydrophobicContact CB-CG 4.25Å; C171-F178 HydrophobicContact CB-CZ 4.29Å; C171-H222 PolarHBondContact O-CE1 2.86Å
172	C	85.7	Confident	81.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.			trans	-77.2	116.1	-170.3	-177.1	0	0	0	0	111.4	G174 C175 G176 Y177 C201	C172-G174 PolarHBondContact O-N 3.05Å; C172-G174 VanDerWaalsContact O-N 3.14Å; C172-C175 VanDerWaalsContact CB-SG 3.58Å; C172-C175 PolarHBondContact O-N 2.94Å; C172-G176 PolarHBondContact O-N 2.99Å; C172-Y177 PolarHBondContact N-O 3.14Å; C172-C201 VanDerWaalsContact SG-CB 3.59Å
173	P	80.8	Confident	81.2	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	-172.1	-24.7	38.1	0	0	0	114.4	C104 S150 C171 P221	C104-P173 HydrophobicContact CB-CG 3.84Å; S150-P173 WeakPolarHBondContact CB-O 3.37Å; S150-P173 PolarHBondContact OG-O 3.27Å; C171-P173 VanDerWaalsContact O-CD 3.25Å; C171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-P221 WeakPolarHBondContact CB-O 3.35Å; P173-P221 WeakPolarHBondContact CG-O 3.18Å
174	G	77.7	Confident	81.1	Confident	36 Å²	36	29.5 Å²	29.5	37%	0.371	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.2	177.3	0	0	0	0	0	115.6	C172	C172-G174 PolarHBondContact O-N 3.05Å; C172-G174 VanDerWaalsContact O-N 3.14Å
175	C	82.5	Confident	81.2	Confident	29 Å²	29	28 Å²	28	20%	0.196	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-12	-178.8	66.2	0	0	0	0	115.4	I153 C172 Y177 H198	I153-C175 VanDerWaalsContact CD1-C 3.46Å; C172-C175 VanDerWaalsContact CB-SG 3.58Å; C172-C175 PolarHBondContact O-N 2.94Å; C175-Y177 VanDerWaalsContact C-N 3.31Å; C175-Y177 HydrophobicContact CB-CD2 3.97Å; C175-Y177 HydrophobicContact CB-CE2 4.02Å; C175-Y177 PolarHBondContact O-N 3.24Å; C175-Y177 VanDerWaalsContact SG-CD2 3.51Å; C175-H198 PolarHBondContact SG-CE1 2.85Å; C175-H198 PolarHBondContact SG-ND1 3.05Å; C175-H198 VanDerWaalsContact SG-ND1 3.37Å
176	G	81.1	Confident	81.2	Confident	5 Å²	5	28 Å²	28	5%	0.052	15%	0.152	C	C	.	.			trans	82.6	-1.6	177	0	0	0	0	0	115.7	C171 C172	C171-G176 PolarHBondContact SG-O 2.88Å; C171-G176 VanDerWaalsContact SG-O 3.39Å; C172-G176 PolarHBondContact O-N 2.99Å
177	Y	87.8	Confident	81.2	Confident	82 Å²	82	28.7 Å²	28.7	32%	0.322	16%	0.157	S	C	.	.			trans	-86.9	144	-177.3	-48.5	-37	0	0	0	112.4	T127 L134 C172 C175 H198	T127-Y177 HydrophobicContact CG2-CD1 3.79Å; T127-Y177 HydrophobicContact CG2-CE1 4.06Å; T127-Y177 WeakPolarHBondContact O-CA 3.42Å; L134-Y177 HydrophobicContact CD1-CD2 4.47Å; L134-Y177 HydrophobicContact CD1-CE1 4.24Å; L134-Y177 HydrophobicContact CD1-CE2 3.75Å; L134-Y177 HydrophobicContact CD2-CD1 4.26Å; L134-Y177 HydrophobicContact CD2-CD2 3.52Å; L134-Y177 HydrophobicContact CD2-CE1 4.37Å; L134-Y177 HydrophobicContact CD2-CE2 3.65Å; L134-Y177 HydrophobicContact CD2-CG 3.85Å; L134-Y177 HydrophobicContact CG-CE2 4.37Å; C172-Y177 PolarHBondContact N-O 3.14Å; C175-Y177 VanDerWaalsContact C-N 3.31Å; C175-Y177 HydrophobicContact CB-CD2 3.97Å; C175-Y177 HydrophobicContact CB-CE2 4.02Å; C175-Y177 PolarHBondContact O-N 3.24Å; C175-Y177 VanDerWaalsContact SG-CD2 3.51Å; Y177-H198 WeakPolarHBondContact CB-CE1 3.47Å; Y177-H198 PolarHBondContact O-CE1 3.38Å; Y177-H198 VanDerWaalsContact O-CE1 3.29Å
178	F	86.6	Confident	81.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.5	176.2	-70.6	-93.6	0	0	0	111.4	A126 T127 S129 L158 H162 H165 M166 H170 C171 I180	A126-F178 HydrophobicContact CB-CD2 3.79Å; A126-F178 HydrophobicContact CB-CE2 3.54Å; A126-F178 HydrophobicContact CB-CZ 4.47Å; T127-F178 PolarHBondContact O-N 3.19Å; S129-F178 PolarHBondContact N-O 3.16Å; L158-F178 HydrophobicContact CD1-CZ 4.01Å; L158-F178 HydrophobicContact CD2-CE2 4.05Å; L158-F178 HydrophobicContact CD2-CZ 4.09Å; H162-F178 HydrophobicContact CB-CE1 4.28Å; H162-F178 HydrophobicContact CB-CE2 4.43Å; H162-F178 HydrophobicContact CB-CZ 3.99Å; H162-F178 AromaticContact CD2-CD1 3.64Å; H162-F178 AromaticContact CD2-CD2 3.56Å; H162-F178 AromaticContact CD2-CE1 3.77Å; H162-F178 AromaticContact CD2-CE2 3.71Å; H162-F178 AromaticContact CD2-CG 3.52Å; H162-F178 AromaticContact CD2-CZ 3.8Å; H162-F178 WeakPolarHBondContact O-CE1 3.37Å; H165-F178 HydrophobicContact CB-CD1 3.9Å; H165-F178 HydrophobicContact CB-CE1 4.04Å; M166-F178 HydrophobicContact CB-CE1 4.34Å; M166-F178 HydrophobicContact CE-CE1 4.23Å; M166-F178 HydrophobicContact CE-CZ 3.74Å; H170-F178 WeakPolarHBondContact O-CA 3.5Å; C171-F178 HydrophobicContact CB-CD1 3.69Å; C171-F178 HydrophobicContact CB-CE1 3.74Å; C171-F178 HydrophobicContact CB-CG 4.25Å; C171-F178 HydrophobicContact CB-CZ 4.29Å; F178-I180 HydrophobicContact CB-CD1 4.01Å; F178-I180 HydrophobicContact CB-CG1 3.89Å; F178-I180 PolarHBondContact O-N 2.81Å; F178-I180 VanDerWaalsContact O-N 3.17Å
179	C	80.9	Confident	80.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	70.7	-176.3	-63	0	0	0	0	110.4	H170 F184 R196 H198	H170-C179 PolarHBondContact O-N 2.81Å; C179-F184 HydrophobicContact CB-CD1 3.72Å; C179-F184 HydrophobicContact CB-CD2 4.17Å; C179-F184 HydrophobicContact CB-CE1 3.59Å; C179-F184 HydrophobicContact CB-CE2 4.04Å; C179-F184 HydrophobicContact CB-CG 4.02Å; C179-F184 HydrophobicContact CB-CZ 3.76Å; C179-R196 HydrophobicContact CB-CB 4.19Å; C179-H198 PolarHBondContact SG-CE1 2.97Å
180	I	74.6	Confident	79.3	Confident	48 Å²	48	29.9 Å²	29.9	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-40.8	-171.1	-54.1	-175.3	0	0	0	112.4	E128 F178 I235	E128-I180 HydrophobicContact CG-CD1 3.92Å; F178-I180 HydrophobicContact CB-CD1 4.01Å; F178-I180 HydrophobicContact CB-CG1 3.89Å; F178-I180 PolarHBondContact O-N 2.81Å; F178-I180 VanDerWaalsContact O-N 3.17Å; I180-I235 VanDerWaalsContact O-CG2 3.32Å; I180-I235 WeakPolarHBondContact O-CG2 3.28Å
181	A	75.4	Confident	78	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.1	178.1	0	0	0	0	0	112.2	S129 L130 N131 F184	S129-A181 VanDerWaalsContact O-O 3.13Å; L130-A181 WeakPolarHBondContact CA-O 3.14Å; L130-A181 HydrophobicContact CD2-CB 3.96Å; N131-A181 PolarHBondContact N-O 3.02Å; A181-F184 WeakPolarHBondContact O-CZ 3.44Å
182	G	75.4	Confident	76.8	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117.5	-162.7	-174	0	0	0	0	0	113.1	N131 F184 I235	N131-G182 WeakPolarHBondContact OD1-CA 3.22Å; G182-F184 WeakPolarHBondContact O-CD2 3.45Å; G182-F184 WeakPolarHBondContact O-CE2 3.41Å; G182-I235 PolarHBondContact N-O 2.76Å; G182-I235 PolarHBondContact O-N 2.71Å
183	T	78.6	Confident	76	Confident	74 Å²	74	50.8 Å²	50.8	45%	0.454	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	-175.1	-48.1	0	0	0	0	111.9	E232 I233 I234	T183-E232 HydrophobicContact CG2-CG 3.58Å; T183-I233 VanDerWaalsContact CA-O 3.29Å; T183-I233 WeakPolarHBondContact CA-O 3.21Å; T183-I234 HydrophobicContact CG2-CG1 4.2Å
184	F	85.6	Confident	75.8	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.022	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.3	-179.1	-49.4	-71.5	0	0	0	110.7	C179 A181 G182 H198 E232 I233 I235	C179-F184 HydrophobicContact CB-CD1 3.72Å; C179-F184 HydrophobicContact CB-CD2 4.17Å; C179-F184 HydrophobicContact CB-CE1 3.59Å; C179-F184 HydrophobicContact CB-CE2 4.04Å; C179-F184 HydrophobicContact CB-CG 4.02Å; C179-F184 HydrophobicContact CB-CZ 3.76Å; A181-F184 WeakPolarHBondContact O-CZ 3.44Å; G182-F184 WeakPolarHBondContact O-CD2 3.45Å; G182-F184 WeakPolarHBondContact O-CE2 3.41Å; F184-H198 AromaticContact CD1-CD2 3.82Å; F184-H198 AromaticContact CD1-NE2 4Å; F184-H198 AromaticContact CE1-CD2 3.82Å; F184-H198 AromaticContact CE1-NE2 3.27Å; F184-H198 VanDerWaalsContact CE1-NE2 3.27Å; F184-H198 WeakPolarHBondContact CE1-NE2 3.4Å; F184-E232 CarbonylContact O-C 3.58Å; F184-E232 WeakPolarHBondContact O-CA 3.42Å; F184-I233 HydrophobicContact CB-CD1 4.5Å; F184-I233 HydrophobicContact CB-CG1 4.16Å; F184-I233 PolarHBondContact N-O 3.24Å; F184-I233 WeakPolarHBondContact O-CG1 3.27Å; F184-I233 PolarHBondContact O-N 3.05Å; F184-I235 HydrophobicContact CD2-CD1 3.79Å; F184-I235 HydrophobicContact CD2-CG1 4.15Å; F184-I235 HydrophobicContact CE2-CB 4.5Å; F184-I235 HydrophobicContact CE2-CD1 3.9Å; F184-I235 HydrophobicContact CE2-CG1 4.31Å
185	L	83.6	Confident	76	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.6	162.5	-65.9	177.1	0	0	0	109.1	R196 F197 R199 V202 A230 Q231 E232	L185-R196 WeakPolarHBondContact O-CA 3.26Å; L185-F197 HydrophobicContact CB-CD2 3.87Å; L185-F197 HydrophobicContact CB-CE1 4.34Å; L185-F197 HydrophobicContact CB-CE2 3.49Å; L185-F197 VanDerWaalsContact CB-CE2 3.49Å; L185-F197 HydrophobicContact CB-CG 4.45Å; L185-F197 HydrophobicContact CB-CZ 3.75Å; L185-F197 HydrophobicContact CD1-CD2 4.28Å; L185-F197 HydrophobicContact CD1-CE2 3.76Å; L185-F197 HydrophobicContact CG-CE2 4.29Å; L185-F197 PolarHBondContact N-O 2.84Å; L185-F197 PolarHBondContact O-N 2.93Å; L185-R199 HydrophobicContact CD1-CB 4.31Å; L185-R199 HydrophobicContact CD1-CG 4.23Å; L185-V202 HydrophobicContact CD1-CG2 3.65Å; L185-A230 HydrophobicContact CB-CB 4.46Å; L185-Q231 CarbonylContact C-O 3.48Å; L185-Q231 WeakPolarHBondContact CA-O 3.46Å; L185-E232 HydrophobicContact CD2-CB 4.04Å; L185-E232 HydrophobicContact CD2-CG 4.41Å
186	E	83.8	Confident	76.1	Confident	37 Å²	37	52 Å²	52	17%	0.173	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	177.9	-170.7	165	78.1	0	0	110.8	A194 H195 R196 A230 Q231 I233	E186-A194 HydrophobicContact CG-CB 3.83Å; E186-A194 WeakPolarHBondContact OE2-CB 3.23Å; E186-H195 WeakPolarHBondContact CA-O 3.36Å; E186-R196 HydrophobicContact CG-CG 4.41Å; E186-R196 IonicContact OE2-CZ 2.67Å; E186-R196 IonicContact OE2-NE 2.98Å; E186-R196 PolarHBondContact OE2-NE 3.05Å; E186-R196 IonicContact OE2-NH2 3.62Å; E186-R196 PolarHBondContact OE2-NH2 3.3Å; E186-A230 WeakPolarHBondContact O-CA 3.35Å; E186-Q231 PolarHBondContact N-O 3Å; E186-Q231 PolarHBondContact O-N 2.75Å; E186-I233 HydrophobicContact CB-CD1 3.9Å; E186-I233 HydrophobicContact CB-CG1 3.97Å; E186-I233 HydrophobicContact CB-CG2 3.79Å; E186-I233 HydrophobicContact CG-CD1 4.36Å; E186-I233 WeakPolarHBondContact OE2-CD1 3.15Å
187	C	83.1	Confident	76.2	Confident	15 Å²	15	51.7 Å²	51.7	10%	0.101	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.3	175	178.1	0	0	0	0	108.7	P189 H195 F197 C220	C187-P189 WeakPolarHBondContact O-CD 3.15Å; C187-H195 PolarHBondContact N-O 2.57Å; C187-H195 WeakPolarHBondContact O-CB 3.2Å; C187-H195 PolarHBondContact O-N 3.17Å; C187-F197 HydrophobicContact CB-CE1 3.8Å; C187-F197 HydrophobicContact CB-CZ 4.21Å; C187-C220 HydrophobicContact CB-CB 4.4Å
188	C	75.3	Confident	76	Confident	71 Å²	71	49.3 Å²	49.3	48%	0.48	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	74.7	-176.6	-63.7	0	0	0	0	110.1	D190	C188-D190 VanDerWaalsContact C-N 3.33Å
189	P	61.1	Low	75.6	Confident	64 Å²	64	56.1 Å²	56.1	42%	0.416	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-39.2	179.8	28.2	-34.1	0	0	0	111.1	C187 C223 E225	C187-P189 WeakPolarHBondContact O-CD 3.15Å; P189-C223 HydrophobicContact CG-CB 4.45Å; P189-E225 HydrophobicContact CB-CG 4.47Å
190	D	56.6	Low	75.3	Confident	101 Å²	101	59.9 Å²	59.9	54%	0.54	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.5	164.7	-91.5	-58.6	0	0	0	109.6	C188 R192 I193	C188-D190 VanDerWaalsContact C-N 3.33Å; D190-R192 PolarHBondContact O-N 3.39Å; D190-I193 PolarHBondContact O-N 2.99Å
191	Q	56.5	Low	75.3	Confident	198 Å²	198	58.9 Å²	58.9	93%	0.925	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	9.7	176.8	-60	-179.3	6.3	0	0	114.6
192	R	60.6	Low	75.1	Confident	225 Å²	225	59.8 Å²	59.8	85%	0.849	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-15.4	-175.4	-72.5	-176.7	-81.1	-144.2	-3.1	114.5	D190	D190-R192 PolarHBondContact O-N 3.39Å
193	I	69.6	Low	74.7	Confident	55 Å²	55	60.9 Å²	60.9	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.3	-180	-56.8	-179.1	0	0	0	109.1	D190	D190-I193 PolarHBondContact O-N 2.99Å
194	A	76.1	Confident	74	Confident	23 Å²	23	60.6 Å²	60.6	19%	0.19	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122	-178.8	0	0	0	0	0	111	E186	E186-A194 HydrophobicContact CG-CB 3.83Å; E186-A194 WeakPolarHBondContact OE2-CB 3.23Å
195	H	81.6	Confident	72.5	Confident	20 Å²	20	63.7 Å²	63.7	9%	0.093	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.3	-179.3	-66.9	153.8	0	0	0	111	H169 E186 C187 F197 H222	H169-H195 AromaticContact CG-CD2 3.94Å; H169-H195 AromaticContact ND1-CD2 3.89Å; H169-H195 AromaticContact ND1-NE2 3.75Å; E186-H195 WeakPolarHBondContact CA-O 3.36Å; C187-H195 PolarHBondContact N-O 2.57Å; C187-H195 WeakPolarHBondContact O-CB 3.2Å; C187-H195 PolarHBondContact O-N 3.17Å; H195-F197 WeakPolarHBondContact O-CE1 3.48Å; H195-H222 HydrophobicContact CB-CB 3.8Å; H195-H222 AromaticContact CG-CG 3.86Å
196	R	84.4	Confident	70.8	Confident	47 Å²	47	68.3 Å²	68.3	18%	0.177	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.8	-175.2	-66.7	178.6	176.5	154.8	5.8	112.5	H170 C179 L185 E186 H222 I233	H170-R196 PolarHBondContact NE2-NH1 3.24Å; C179-R196 HydrophobicContact CB-CB 4.19Å; L185-R196 WeakPolarHBondContact O-CA 3.26Å; E186-R196 HydrophobicContact CG-CG 4.41Å; E186-R196 IonicContact OE2-CZ 2.67Å; E186-R196 IonicContact OE2-NE 2.98Å; E186-R196 PolarHBondContact OE2-NE 3.05Å; E186-R196 IonicContact OE2-NH2 3.62Å; E186-R196 PolarHBondContact OE2-NH2 3.3Å; R196-H222 PolarHBondContact N-NE2 2.86Å; R196-H222 VanDerWaalsContact N-NE2 3.18Å; R196-H222 PolarHBondContact O-NE2 2.61Å; R196-I233 HydrophobicContact CG-CD1 4.23Å
197	F	84.1	Confident	68.8	Low	0 Å²	0	70 Å²	70	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.9	-176.8	49.5	-79	0	0	0	111.8	L185 C187 H195 V202 C220 P221 A227 A230	L185-F197 HydrophobicContact CB-CD2 3.87Å; L185-F197 HydrophobicContact CB-CE1 4.34Å; L185-F197 HydrophobicContact CB-CE2 3.49Å; L185-F197 VanDerWaalsContact CB-CE2 3.49Å; L185-F197 HydrophobicContact CB-CG 4.45Å; L185-F197 HydrophobicContact CB-CZ 3.75Å; L185-F197 HydrophobicContact CD1-CD2 4.28Å; L185-F197 HydrophobicContact CD1-CE2 3.76Å; L185-F197 HydrophobicContact CG-CE2 4.29Å; L185-F197 PolarHBondContact N-O 2.84Å; L185-F197 PolarHBondContact O-N 2.93Å; C187-F197 HydrophobicContact CB-CE1 3.8Å; C187-F197 HydrophobicContact CB-CZ 4.21Å; H195-F197 WeakPolarHBondContact O-CE1 3.48Å; F197-V202 HydrophobicContact CD2-CG2 3.9Å; F197-V202 HydrophobicContact CE2-CG2 3.82Å; F197-C220 HydrophobicContact CE1-CB 4.28Å; F197-C220 WeakPolarHBondContact CE1-SG 3.41Å; F197-C220 HydrophobicContact CZ-CB 4.33Å; F197-P221 HydrophobicContact CB-CG 3.68Å; F197-P221 HydrophobicContact CD2-CG 4.21Å; F197-P221 HydrophobicContact CG-CG 3.91Å; F197-A227 HydrophobicContact CE2-CB 4.38Å; F197-A227 HydrophobicContact CZ-CB 4.09Å; F197-A230 HydrophobicContact CZ-CB 3.94Å
198	H	82.7	Confident	66.7	Low	31 Å²	31	73 Å²	73	14%	0.144	43%	0.43	C	S	.	.			trans	-74.3	146	175.7	-55.5	94.6	0	0	0	110.9	S129 C175 Y177 C179 F184 G200 C201	S129-H198 WeakPolarHBondContact CB-NE2 3.47Å; S129-H198 PolarHBondContact OG-NE2 3.44Å; C175-H198 PolarHBondContact SG-CE1 2.85Å; C175-H198 PolarHBondContact SG-ND1 3.05Å; C175-H198 VanDerWaalsContact SG-ND1 3.37Å; Y177-H198 WeakPolarHBondContact CB-CE1 3.47Å; Y177-H198 PolarHBondContact O-CE1 3.38Å; Y177-H198 VanDerWaalsContact O-CE1 3.29Å; C179-H198 PolarHBondContact SG-CE1 2.97Å; F184-H198 AromaticContact CD1-CD2 3.82Å; F184-H198 AromaticContact CD1-NE2 4Å; F184-H198 AromaticContact CE1-CD2 3.82Å; F184-H198 AromaticContact CE1-NE2 3.27Å; F184-H198 VanDerWaalsContact CE1-NE2 3.27Å; F184-H198 WeakPolarHBondContact CE1-NE2 3.4Å; H198-G200 PolarHBondContact O-N 3.33Å; H198-G200 VanDerWaalsContact O-N 3.14Å; H198-C201 HydrophobicContact CB-CB 4.38Å; H198-C201 PolarHBondContact O-N 2.87Å
199	R	78.9	Confident	65	Low	144 Å²	144	81.5 Å²	81.5	54%	0.543	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-57	-28.8	177.3	-167.1	176.5	-166.6	119.4	7.7	113.7	L185 C201 V202 E232	L185-R199 HydrophobicContact CD1-CB 4.31Å; L185-R199 HydrophobicContact CD1-CG 4.23Å; R199-C201 VanDerWaalsContact C-N 3.34Å; R199-V202 WeakPolarHBondContact O-CG2 3.46Å; R199-E232 IonicContact CZ-OE1 3.34Å; R199-E232 IonicContact NH1-OE1 3.03Å; R199-E232 PolarHBondContact NH1-OE1 3.15Å; R199-E232 IonicContact NH1-OE2 3.84Å; R199-E232 PolarHBondContact NH1-OE2 3.46Å
200	G	73.5	Confident	64.1	Low	79 Å²	79	83.8 Å²	83.8	81%	0.814	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-83.2	-1.4	174.2	0	0	0	0	0	115.4	H198	H198-G200 PolarHBondContact O-N 3.33Å; H198-G200 VanDerWaalsContact O-N 3.14Å
201	C	75.9	Confident	62.9	Low	27 Å²	27	88.9 Å²	88.9	18%	0.182	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-111.3	9	178.5	-62.4	0	0	0	0	112.8	C172 H198 R199	C172-C201 VanDerWaalsContact SG-CB 3.59Å; H198-C201 HydrophobicContact CB-CB 4.38Å; H198-C201 PolarHBondContact O-N 2.87Å; R199-C201 VanDerWaalsContact C-N 3.34Å
202	V	70.9	Confident	62	Low	23 Å²	23	84.6 Å²	84.6	14%	0.139	49%	0.485	C	S	.	.			trans	-70.4	132.9	172.3	-176.7	0	0	0	0	108.9	L185 F197 R199 V204 L218	L185-V202 HydrophobicContact CD1-CG2 3.65Å; F197-V202 HydrophobicContact CD2-CG2 3.9Å; F197-V202 HydrophobicContact CE2-CG2 3.82Å; R199-V202 WeakPolarHBondContact O-CG2 3.46Å; V202-V204 HydrophobicContact CG1-CG2 4.46Å; V202-L218 HydrophobicContact CG1-CB 3.77Å; V202-L218 HydrophobicContact CG1-CD2 3.98Å; V202-L218 HydrophobicContact CG1-CG 4.32Å
203	T	66.4	Low	61	Low	25 Å²	25	81.3 Å²	81.3	15%	0.153	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.5	174.5	-50.8	0	0	0	0	109.3	L101 F219	L101-T203 HydrophobicContact CD2-CG2 3.61Å; T203-F219 PolarHBondContact N-O 3.25Å; T203-F219 PolarHBondContact O-N 3.44Å
204	V	63.4	Low	59.9	Low	68 Å²	68	82.9 Å²	82.9	41%	0.412	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	95.2	-172.5	-171.4	0	0	0	0	109.7	V202 S206 M217 L218	V202-V204 HydrophobicContact CG1-CG2 4.46Å; V204-S206 PolarHBondContact O-N 3.09Å; V204-M217 WeakPolarHBondContact CA-O 3.42Å; V204-L218 HydrophobicContact CG1-CD2 4.23Å; V204-L218 HydrophobicContact CG2-CD2 3.72Å
205	L	54.4	Low	58.4	Low	70 Å²	70	85.3 Å²	85.3	37%	0.366	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.7	179.7	-76.7	167.3	0	0	0	110	L101 G207 M217 F219	L101-L205 HydrophobicContact CD2-CD1 4.16Å; L205-G207 PolarHBondContact O-N 3.25Å; L205-M217 PolarHBondContact N-O 3.05Å; L205-F219 HydrophobicContact CB-CD2 4.42Å; L205-F219 HydrophobicContact CB-CE2 4.03Å; L205-F219 HydrophobicContact CD1-CD2 4Å; L205-F219 HydrophobicContact CD1-CE2 3.74Å; L205-F219 HydrophobicContact CD1-CZ 4.42Å; L205-F219 HydrophobicContact CG-CD2 4.32Å; L205-F219 HydrophobicContact CG-CE2 4.23Å
206	S	48.2	Very low	57.2	Low	111 Å²	111	86.2 Å²	86.2	78%	0.776	56%	0.557	S	S	*	*			trans	-82.2	106.2	178.9	-68.4	0	0	0	0	110.5	V204	V204-S206 PolarHBondContact O-N 3.09Å
207	G	42.2	Very low	56.1	Low	74 Å²	74	88.7 Å²	88.7	76%	0.763	57%	0.572	S	S	*	*			trans	-58.7	137.5	178.9	0	0	0	0	0	113.2	L205	L205-G207 PolarHBondContact O-N 3.25Å
208	G	38	Very low	55.4	Low	76 Å²	76	91.6 Å²	91.6	78%	0.784	59%	0.587	S	S	*	*			trans	-55.5	156	179.7	0	0	0	0	0	113.9	S210	G208-S210 PolarHBondContact O-N 2.94Å
209	R	40.7	Very low	55	Low	250 Å²	250	91.6 Å²	91.6	94%	0.943	59%	0.586	S	S	*	*	S	Bend	trans	-58.5	87.5	-166	-58.5	178.2	-171.7	170.8	4.2	114.9
210	S	40.7	Very low	55.1	Low	113 Å²	113	84.8 Å²	84.8	79%	0.79	56%	0.561	S	S	*	*			trans	-175.7	81.3	148.2	-85.1	0	0	0	0	114.7	G208	G208-S210 PolarHBondContact O-N 2.94Å
211	K	32	Very low	55	Low	207 Å²	207	81.1 Å²	81.1	90%	0.9	52%	0.522	S	S	*	.			trans	-169.4	135.8	146.2	-109	158.3	-174	175.9	0	111.3	N213	K211-N213 PolarHBondContact O-N 3.21Å
212	A	38	Very low	54.9	Low	108 Å²	108	80.2 Å²	80.2	89%	0.893	52%	0.516	S	S	*	.	S	Bend	trans	-91.7	63.3	179.5	0	0	0	0	0	111.8
213	N	39.2	Very low	54.9	Low	156 Å²	156	81 Å²	81	83%	0.834	52%	0.522	S	S	*	.	S	Bend	trans	-160.2	121.7	158.6	-116.2	-2.7	0	0	0	108.2	K211 G215	K211-N213 PolarHBondContact O-N 3.21Å; N213-G215 PolarHBondContact O-N 2.72Å
214	G	46.8	Very low	55.1	Low	89 Å²	89	80.7 Å²	80.7	92%	0.918	52%	0.523	S	S	*	.			trans	-87	109.1	-166.7	0	0	0	0	0	113.9
215	G	45.1	Very low	55.6	Low	74 Å²	74	82.9 Å²	82.9	76%	0.763	53%	0.529	S	S	*	.			trans	-146.8	114	162.1	0	0	0	0	0	108.7	N213	N213-G215 PolarHBondContact O-N 2.72Å
216	G	56.3	Low	56.4	Low	38 Å²	38	83 Å²	83	39%	0.392	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-84.5	139.4	171.1	0	0	0	0	0	109.5	L218	G216-L218 PolarHBondContact O-N 2.82Å
217	M	60.1	Low	57.4	Low	100 Å²	100	78 Å²	78	49%	0.493	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.3	177.9	-67.7	-178.7	72.7	0	0	109.6	V204 L205 F219 D226	V204-M217 WeakPolarHBondContact CA-O 3.42Å; L205-M217 PolarHBondContact N-O 3.05Å; M217-F219 HydrophobicContact CB-CD2 4.4Å; M217-F219 HydrophobicContact CB-CE2 3.49Å; M217-F219 VanDerWaalsContact CB-CE2 3.49Å; M217-F219 HydrophobicContact CB-CZ 3.78Å; M217-F219 HydrophobicContact CE-CZ 4.02Å; M217-F219 HydrophobicContact SD-CZ 4.41Å; M217-D226 WeakPolarHBondContact CE-OD2 3.49Å
218	L	69.4	Low	58.9	Low	61 Å²	61	77.7 Å²	77.7	32%	0.319	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.7	-179.9	-58	-174.2	0	0	0	108.7	V202 V204 G216 A227	V202-L218 HydrophobicContact CG1-CB 3.77Å; V202-L218 HydrophobicContact CG1-CD2 3.98Å; V202-L218 HydrophobicContact CG1-CG 4.32Å; V204-L218 HydrophobicContact CG1-CD2 4.23Å; V204-L218 HydrophobicContact CG2-CD2 3.72Å; G216-L218 PolarHBondContact O-N 2.82Å; L218-A227 HydrophobicContact CB-CB 4.2Å; L218-A227 PolarHBondContact O-N 3.39Å
219	F	74.6	Confident	60.6	Low	31 Å²	31	82.8 Å²	82.8	14%	0.136	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.3	179.4	-67	-80.6	0	0	0	112.4	L101 T203 L205 M217 P221 G224 E225	L101-F219 HydrophobicContact CD2-CB 4.05Å; L101-F219 HydrophobicContact CD2-CG 4.36Å; T203-F219 PolarHBondContact N-O 3.25Å; T203-F219 PolarHBondContact O-N 3.44Å; L205-F219 HydrophobicContact CB-CD2 4.42Å; L205-F219 HydrophobicContact CB-CE2 4.03Å; L205-F219 HydrophobicContact CD1-CD2 4Å; L205-F219 HydrophobicContact CD1-CE2 3.74Å; L205-F219 HydrophobicContact CD1-CZ 4.42Å; L205-F219 HydrophobicContact CG-CD2 4.32Å; L205-F219 HydrophobicContact CG-CE2 4.23Å; M217-F219 HydrophobicContact CB-CD2 4.4Å; M217-F219 HydrophobicContact CB-CE2 3.49Å; M217-F219 VanDerWaalsContact CB-CE2 3.49Å; M217-F219 HydrophobicContact CB-CZ 3.78Å; M217-F219 HydrophobicContact CE-CZ 4.02Å; M217-F219 HydrophobicContact SD-CZ 4.41Å; F219-P221 WeakPolarHBondContact O-CD 3.42Å; F219-G224 VanDerWaalsContact CD1-O 3.26Å; F219-G224 WeakPolarHBondContact CD1-O 3.12Å; F219-E225 WeakPolarHBondContact CA-O 3.33Å
220	C	80.6	Confident	62.3	Low	1 Å²	1	71.9 Å²	71.9	1%	0.007	45%	0.448	C	S	.	.			trans	-72.8	121	178.6	-177.5	0	0	0	0	110.4	C187 F197 H222 G224 E225 A227	C187-C220 HydrophobicContact CB-CB 4.4Å; F197-C220 HydrophobicContact CE1-CB 4.28Å; F197-C220 WeakPolarHBondContact CE1-SG 3.41Å; F197-C220 HydrophobicContact CZ-CB 4.33Å; C220-H222 PolarHBondContact O-N 2.83Å; C220-G224 WeakPolarHBondContact O-CA 3.45Å; C220-G224 PolarHBondContact O-N 3.4Å; C220-E225 PolarHBondContact N-O 3Å; C220-A227 HydrophobicContact CB-CB 4.29Å
221	P	72.5	Confident	64.2	Low	1 Å²	1	72.5 Å²	72.5	1%	0.006	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	9.4	-179.1	32.9	-38.4	0	0	0	114.1	P102 P173 F197 F219	P102-P221 HydrophobicContact CG-CB 4.43Å; P102-P221 CarbonylContact O-C 3.43Å; P102-P221 WeakPolarHBondContact O-CA 3.23Å; P173-P221 WeakPolarHBondContact CB-O 3.35Å; P173-P221 WeakPolarHBondContact CG-O 3.18Å; F197-P221 HydrophobicContact CB-CG 3.68Å; F197-P221 HydrophobicContact CD2-CG 4.21Å; F197-P221 HydrophobicContact CG-CG 3.91Å; F219-P221 WeakPolarHBondContact O-CD 3.42Å
222	H	73.6	Confident	66.6	Low	9 Å²	9	67.6 Å²	67.6	4%	0.042	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-56.7	170.6	-75.3	-92.4	0	0	0	111.6	C104 H169 C171 H195 R196 C220	C104-H222 HydrophobicContact CB-CB 4.05Å; C104-H222 PolarHBondContact N-O 2.84Å; H169-H222 AromaticContact ND1-ND1 3.92Å; H169-H222 PolarHBondContact O-CE1 2.81Å; H169-H222 PolarHBondContact O-NE2 3.45Å; C171-H222 PolarHBondContact O-CE1 2.86Å; H195-H222 HydrophobicContact CB-CB 3.8Å; H195-H222 AromaticContact CG-CG 3.86Å; R196-H222 PolarHBondContact N-NE2 2.86Å; R196-H222 VanDerWaalsContact N-NE2 3.18Å; R196-H222 PolarHBondContact O-NE2 2.61Å; C220-H222 PolarHBondContact O-N 2.83Å
223	C	71.8	Confident	68.7	Low	40 Å²	40	63.8 Å²	63.8	27%	0.27	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-11.7	-171.9	50.1	0	0	0	0	115	P189 E225	P189-C223 HydrophobicContact CG-CB 4.45Å; C223-E225 HydrophobicContact CB-CG 4.28Å; C223-E225 PolarHBondContact O-N 2.87Å
224	G	69.5	Low	70.7	Confident	17 Å²	17	62.6 Å²	62.6	18%	0.175	38%	0.375	C	S	.	.			trans	77.6	1.6	-176.2	0	0	0	0	0	115	F219 C220	F219-G224 VanDerWaalsContact CD1-O 3.26Å; F219-G224 WeakPolarHBondContact CD1-O 3.12Å; C220-G224 WeakPolarHBondContact O-CA 3.45Å; C220-G224 PolarHBondContact O-N 3.4Å
225	E	73.2	Confident	72.3	Confident	115 Å²	115	59.9 Å²	59.9	54%	0.537	34%	0.339	S	S	.	.			trans	-73.5	161.2	176.4	-67.2	-62	162.7	0	0	113.1	P189 F219 C220 C223 A227	P189-E225 HydrophobicContact CB-CG 4.47Å; F219-E225 WeakPolarHBondContact CA-O 3.33Å; C220-E225 PolarHBondContact N-O 3Å; C223-E225 HydrophobicContact CB-CG 4.28Å; C223-E225 PolarHBondContact O-N 2.87Å; E225-A227 PolarHBondContact O-N 2.71Å
226	D	71.6	Confident	73.4	Confident	73 Å²	73	60.7 Å²	60.7	39%	0.39	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-62.1	121.1	176.8	-164.8	-24	0	0	0	111	M217 S228	M217-D226 WeakPolarHBondContact CE-OD2 3.49Å; D226-S228 WeakPolarHBondContact OD1-CB 3.23Å; D226-S228 PolarHBondContact OD1-N 2.92Å; D226-S228 PolarHBondContact OD1-OG 3.21Å
227	A	70	Confident	73.7	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.033	33%	0.329	C	S	.	.			trans	-100.8	11.8	-179.8	0	0	0	0	0	112.8	F197 L218 C220 E225 E229 A230	F197-A227 HydrophobicContact CE2-CB 4.38Å; F197-A227 HydrophobicContact CZ-CB 4.09Å; L218-A227 HydrophobicContact CB-CB 4.2Å; L218-A227 PolarHBondContact O-N 3.39Å; C220-A227 HydrophobicContact CB-CB 4.29Å; E225-A227 PolarHBondContact O-N 2.71Å; A227-E229 PolarHBondContact O-N 3.42Å; A227-A230 HydrophobicContact CB-CB 4.07Å; A227-A230 WeakPolarHBondContact O-CB 3.47Å; A227-A230 PolarHBondContact O-N 3.5Å
228	S	74.1	Confident	73.2	Confident	69 Å²	69	62.7 Å²	62.7	48%	0.483	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.2	178.6	-57	0	0	0	0	113.3	D226	D226-S228 WeakPolarHBondContact OD1-CB 3.23Å; D226-S228 PolarHBondContact OD1-N 2.92Å; D226-S228 PolarHBondContact OD1-OG 3.21Å
229	E	72	Confident	72	Confident	183 Å²	183	64.2 Å²	64.2	86%	0.855	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	7.5	172.8	-58.4	-163.6	162.2	0	0	113.8	A227 Q231	A227-E229 PolarHBondContact O-N 3.42Å; E229-Q231 PolarHBondContact O-N 2.84Å
230	A	78.3	Confident	69.8	Low	21 Å²	21	67.1 Å²	67.1	17%	0.174	40%	0.395	C	S	.	.			trans	-63.1	130.3	-178.4	0	0	0	0	0	111.7	L185 E186 F197 A227	L185-A230 HydrophobicContact CB-CB 4.46Å; E186-A230 WeakPolarHBondContact O-CA 3.35Å; F197-A230 HydrophobicContact CZ-CB 3.94Å; A227-A230 HydrophobicContact CB-CB 4.07Å; A227-A230 WeakPolarHBondContact O-CB 3.47Å; A227-A230 PolarHBondContact O-N 3.5Å
231	Q	79.3	Confident	67.6	Low	125 Å²	125	73.6 Å²	73.6	58%	0.584	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.2	-172.3	-62.1	-171.5	11.2	0	0	111.3	L185 E186 E229 I233	L185-Q231 CarbonylContact C-O 3.48Å; L185-Q231 WeakPolarHBondContact CA-O 3.46Å; E186-Q231 PolarHBondContact N-O 3Å; E186-Q231 PolarHBondContact O-N 2.75Å; E229-Q231 PolarHBondContact O-N 2.84Å; Q231-I233 PolarHBondContact O-N 3.5Å
232	E	82.8	Confident	65.6	Low	104 Å²	104	79.2 Å²	79.2	49%	0.486	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	103	175.2	-167.8	154	-135.8	0	0	109.5	T183 F184 L185 R199	T183-E232 HydrophobicContact CG2-CG 3.58Å; F184-E232 CarbonylContact O-C 3.58Å; F184-E232 WeakPolarHBondContact O-CA 3.42Å; L185-E232 HydrophobicContact CD2-CB 4.04Å; L185-E232 HydrophobicContact CD2-CG 4.41Å; R199-E232 IonicContact CZ-OE1 3.34Å; R199-E232 IonicContact NH1-OE1 3.03Å; R199-E232 PolarHBondContact NH1-OE1 3.15Å; R199-E232 IonicContact NH1-OE2 3.84Å; R199-E232 PolarHBondContact NH1-OE2 3.46Å
233	I	82.3	Confident	63.6	Low	28 Å²	28	82.9 Å²	82.9	14%	0.144	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.5	-178.1	61.6	158.2	0	0	0	111.1	T183 F184 E186 R196 Q231 I235	T183-I233 VanDerWaalsContact CA-O 3.29Å; T183-I233 WeakPolarHBondContact CA-O 3.21Å; F184-I233 HydrophobicContact CB-CD1 4.5Å; F184-I233 HydrophobicContact CB-CG1 4.16Å; F184-I233 PolarHBondContact N-O 3.24Å; F184-I233 WeakPolarHBondContact O-CG1 3.27Å; F184-I233 PolarHBondContact O-N 3.05Å; E186-I233 HydrophobicContact CB-CD1 3.9Å; E186-I233 HydrophobicContact CB-CG1 3.97Å; E186-I233 HydrophobicContact CB-CG2 3.79Å; E186-I233 HydrophobicContact CG-CD1 4.36Å; E186-I233 WeakPolarHBondContact OE2-CD1 3.15Å; R196-I233 HydrophobicContact CG-CD1 4.23Å; Q231-I233 PolarHBondContact O-N 3.5Å; I233-I235 HydrophobicContact CD1-CD1 4.01Å; I233-I235 HydrophobicContact CD1-CG1 3.93Å
234	I	81.8	Confident	61.6	Low	131 Å²	131	87.8 Å²	87.8	67%	0.672	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.7	172.4	-57.1	176.5	0	0	0	108	T183	T183-I234 HydrophobicContact CG2-CG1 4.2Å
235	I	79.3	Confident	59.6	Low	32 Å²	32	92.4 Å²	92.4	16%	0.164	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	115	176.2	-52.7	177.2	0	0	0	108.1	I180 G182 F184 I233	I180-I235 VanDerWaalsContact O-CG2 3.32Å; I180-I235 WeakPolarHBondContact O-CG2 3.28Å; G182-I235 PolarHBondContact N-O 2.76Å; G182-I235 PolarHBondContact O-N 2.71Å; F184-I235 HydrophobicContact CD2-CD1 3.79Å; F184-I235 HydrophobicContact CD2-CG1 4.15Å; F184-I235 HydrophobicContact CE2-CB 4.5Å; F184-I235 HydrophobicContact CE2-CD1 3.9Å; F184-I235 HydrophobicContact CE2-CG1 4.31Å; I233-I235 HydrophobicContact CD1-CD1 4.01Å; I233-I235 HydrophobicContact CD1-CG1 3.93Å
236	P	69.3	Low	57.5	Low	91 Å²	91	92.4 Å²	92.4	59%	0.591	57%	0.567	S	S	*	*			trans	-66.3	137.5	176.5	27.8	-33.6	0	0	0	110.5
237	S	62	Low	55.3	Low	49 Å²	49	94.1 Å²	94.1	34%	0.343	58%	0.58	S	S	.	*			trans	-62.6	145.8	169.8	-178.5	0	0	0	0	110.2	A239 S240	S237-A239 PolarHBondContact O-N 3.32Å; S237-S240 PolarHBondContact O-N 3.43Å
238	S	50	Low	53.2	Low	132 Å²	132	99.7 Å²	99.7	92%	0.923	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	6.3	-175.7	50.4	0	0	0	0	115.1
239	A	43.1	Very low	51	Low	93 Å²	93	104.1 Å²	104.1	77%	0.769	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	12.1	172.7	0	0	0	0	0	114.7	S237	S237-A239 PolarHBondContact O-N 3.32Å
240	S	29.8	Very low	48.8	Very low	92 Å²	92	101.3 Å²	101.3	64%	0.643	63%	0.629	S	S	*	*			trans	-153	137.8	163	59.2	0	0	0	0	114.4	S237	S237-S240 PolarHBondContact O-N 3.43Å
241	T	33.5	Very low	46.4	Very low	137 Å²	137	104.2 Å²	104.2	84%	0.84	65%	0.653	S	S	*	*			trans	-93.6	117.9	174	48.4	0	0	0	0	111.3
242	S	30.9	Very low	43.9	Very low	118 Å²	118	103.7 Å²	103.7	83%	0.825	66%	0.664	S	S	*	*			trans	172.9	143.2	138.8	-81.1	0	0	0	0	113.9
243	A	30.2	Very low	41.4	Very low	87 Å²	87	104.1 Å²	104.1	72%	0.719	68%	0.678	S	S	*	*			trans	46.2	106.1	152.7	0	0	0	0	0	120.1	T245	A243-T245 PolarHBondContact O-N 2.91Å
244	T	29.8	Very low	38.7	Very low	143 Å²	143	109.6 Å²	109.6	88%	0.877	71%	0.713	S	S	*	*			trans	-59.4	125.3	162.2	-42	0	0	0	0	111
245	T	28.9	Very low	36.2	Very low	113 Å²	113	109.4 Å²	109.4	69%	0.693	72%	0.718	S	S	*	*			trans	-132.3	114.4	172.1	-46.5	0	0	0	0	109.1	A243	A243-T245 PolarHBondContact O-N 2.91Å
246	V	27.9	Very low	33.7	Very low	115 Å²	115	114.2 Å²	114.2	70%	0.697	75%	0.749	S	S	*	*			trans	-85.2	126.8	177.8	-178.2	0	0	0	0	109
247	V	26.9	Very low	31.6	Very low	110 Å²	110	116 Å²	116	67%	0.667	76%	0.761	S	S	*	*			trans	-119.4	102.2	-180	-177.7	0	0	0	0	109.5	M249	V247-M249 HydrophobicContact CG1-CG 4.17Å; V247-M249 PolarHBondContact O-N 3.49Å
248	T	24.5	Very low	29.8	Very low	121 Å²	121	119.4 Å²	119.4	74%	0.742	78%	0.784	S	S	*	*			trans	-76.4	114.2	176.6	51.1	0	0	0	0	110.9
249	M	28.6	Very low	28.7	Very low	161 Å²	161	121.2 Å²	121.2	79%	0.793	78%	0.783	S	S	*	*			trans	-124.7	115.8	172.2	-72.5	-92.3	74.5	0	0	110.4	V247 A251	V247-M249 HydrophobicContact CG1-CG 4.17Å; V247-M249 PolarHBondContact O-N 3.49Å; M249-A251 PolarHBondContact O-N 3.02Å
250	S	26.3	Very low	28	Very low	124 Å²	124	122.1 Å²	122.1	87%	0.867	78%	0.781	S	S	*	*			trans	-76.1	114	177.3	-52.4	0	0	0	0	110.9
251	A	27.7	Very low	27.9	Very low	82 Å²	82	123.5 Å²	123.5	68%	0.678	79%	0.788	S	S	*	*			trans	-84.1	118.1	-178.3	0	0	0	0	0	112	M249	M249-A251 PolarHBondContact O-N 3.02Å
252	S	27.2	Very low	27.6	Very low	115 Å²	115	123 Å²	123	80%	0.804	79%	0.79	S	S	*	*			trans	-145.4	79.2	169.5	-76.5	0	0	0	0	110.5
253	S	28.8	Very low	27.6	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	79%	0.787	S	S	*	*			trans	-165	128.4	167.1	-81.9	0	0	0	0	110.4
254	T	27.5	Very low	28	Very low	143 Å²	143	123.4 Å²	123.4	88%	0.877	79%	0.79	S	S	*	*			trans	-102.7	105.5	179.6	-48.2	0	0	0	0	110
255	T	27.3	Very low	27.8	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	79%	0.793	S	S	*	*			trans	-134.4	118.9	173	52.4	0	0	0	0	110.7
256	T	27.1	Very low	27.9	Very low	133 Å²	133	123.1 Å²	123.1	82%	0.816	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81	130.6	175.4	37.2	0	0	0	0	111.3
257	P	25.8	Very low	28.3	Very low	129 Å²	129	123.3 Å²	123.3	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.1	126.1	170.7	32.6	-30.9	0	0	0	110.9
258	S	24.9	Very low	28.2	Very low	120 Å²	120	123 Å²	123	84%	0.839	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-99.9	141.3	172.3	37	0	0	0	0	111.8
259	L	26.1	Very low	28.4	Very low	171 Å²	171	124.7 Å²	124.7	90%	0.895	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.4	159.3	177.1	-83.1	164.9	0	0	0	111.9
260	P	27.5	Very low	28.3	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-82.5	160.8	-154.3	31.6	-37.6	0	0	0	115.9
261	P	29.4	Very low	28.3	Very low	122 Å²	122	121 Å²	121	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.4	151.7	-174.1	36	-36.2	0	0	0	115
262	S	25.9	Very low	28.3	Very low	127 Å²	127	122 Å²	122	89%	0.888	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.7	148.7	162.3	-58.4	0	0	0	0	111.7
263	A	31.2	Very low	28.4	Very low	93 Å²	93	123.3 Å²	123.3	77%	0.769	80%	0.804	S	S	*	*			trans	-105.9	-176.1	-173.7	0	0	0	0	0	112.6
264	P	39.2	Very low	28.3	Very low	120 Å²	120	122 Å²	122	78%	0.779	81%	0.808	S	S	*	*				-135.3	170.6	-98.9	38.6	-20.3	0	0	0	116
265	T	25.4	Very low	28.2	Very low	152 Å²	152	119 Å²	119	93%	0.933	81%	0.806	S	S	*	*			trans	-144.7	153.2	161.9	15.6	0	0	0	0	113.8
266	A	30	Very low	28.3	Very low	97 Å²	97	121 Å²	121	80%	0.802	81%	0.809	S	S	*	*			trans	-70.1	171.9	-157.9	0	0	0	0	0	118.8
267	P	38	Very low	28.5	Very low	120 Å²	120	123.8 Å²	123.8	78%	0.779	81%	0.81	S	S	*	*			trans	-120.6	170.4	-165.2	43.2	-32.3	0	0	0	117
268	S	24.2	Very low	28.7	Very low	103 Å²	103	124.7 Å²	124.7	72%	0.72	81%	0.807	S	S	*	*			trans	-168.3	129.6	151.9	-85.8	0	0	0	0	109.9
269	L	27.5	Very low	28.9	Very low	156 Å²	156	122.7 Å²	122.7	82%	0.817	81%	0.805	S	S	*	*				60.9	129	88.2	-60.7	175.5	0	0	0	113.3
270	T	26.5	Very low	29	Very low	121 Å²	121	124.5 Å²	124.5	74%	0.742	81%	0.806	S	S	*	*			cis	-159.7	147.4	10	38.8	0	0	0	0	114.5
271	A	27.8	Very low	29.1	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	81%	0.81	S	S	*	*			trans	65.7	144.1	133.5	0	0	0	0	0	125.9
272	S	27.4	Very low	30.3	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	80%	0.8	S	S	*	*			trans	95.9	103.4	136.1	-70.6	0	0	0	0	124.6
273	T	28	Very low	30.2	Very low	141 Å²	141	127.1 Å²	127.1	87%	0.865	79%	0.794	S	S	*	*				58.6	134.4	124.2	63.5	0	0	0	0	124.2
274	G	26.6	Very low	30.1	Very low	85 Å²	85	133.4 Å²	133.4	88%	0.876	80%	0.797	S	S	*	*				138.4	144.5	125.6	0	0	0	0	0	118.8
275	G	26.1	Very low	30.6	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	80%	0.796	S	S	*	*			trans	139	122.4	160	0	0	0	0	0	117.2
276	M	29.7	Very low	30.8	Very low	168 Å²	168	132.1 Å²	132.1	83%	0.828	79%	0.789	S	S	*	*			trans	-145.4	155.7	175.2	-66.8	170	61.7	0	0	111.8
277	K	30.3	Very low	30.6	Very low	192 Å²	192	133.3 Å²	133.3	84%	0.835	79%	0.792	S	S	*	*			trans	166.1	134.3	144.3	-89.7	152.4	-173.3	177.4	0	109.9
278	D	31.7	Very low	30	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	79%	0.793	S	S	*	*				71.1	132.3	58.1	-63.8	-55.6	0	0	0	113.6
279	G	29.1	Very low	30.1	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	80%	0.804	S	S	*	*			cis	-153.3	-158.5	1.3	0	0	0	0	0	110.4
280	K	26.9	Very low	29.9	Very low	209 Å²	209	139.2 Å²	139.2	91%	0.909	80%	0.801	S	S	*	*			cis	-172	160.8	33.3	-178.5	178.2	-175.5	-173.5	0	111.7
281	M	29.6	Very low	29.9	Very low	166 Å²	166	144 Å²	144	82%	0.818	81%	0.805	S	S	*	*			trans	-139	-176.9	174.4	-128.1	-166.3	-178.7	0	0	110.6
282	P	54.5	Low	29.7	Very low	89 Å²	89	144.2 Å²	144.2	58%	0.578	80%	0.802	S	S	*	*			cis	-115.9	-139.6	30.7	35.7	-14.1	0	0	0	113.3
283	E	25.1	Very low	29.6	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.752	81%	0.808	S	S	*	*			cis	-135.3	-175.7	45.5	-97.7	-60.2	-12.7	0	0	116.3
284	R	28	Very low	29.4	Very low	224 Å²	224	144.8 Å²	144.8	85%	0.845	80%	0.802	S	S	*	*			trans	-145.9	-152.9	-173.1	-70.8	-174	161.2	-172	-5.6	111
285	P	51.1	Low	29.4	Very low	115 Å²	115	149.2 Å²	149.2	75%	0.747	80%	0.804	S	S	*	*			cis	-126.8	-157.5	-13	27.5	0.5	0	0	0	112
286	V	28.5	Very low	29.3	Very low	130 Å²	130	149.8 Å²	149.8	79%	0.788	80%	0.801	S	S	*	*			cis	-151.1	132.8	14.9	-174.7	0	0	0	0	111.7
287	S	25.8	Very low	29.2	Very low	123 Å²	123	145.9 Å²	145.9	86%	0.86	80%	0.796	S	S	*	*			trans	-179.9	157.3	131.2	48.8	0	0	0	0	112.3
288	A	25.9	Very low	29.3	Very low	97 Å²	97	142 Å²	142	80%	0.802	79%	0.791	S	S	*	*			trans	-146.4	176.5	-175.9	0	0	0	0	0	108.5
289	R	25.7	Very low	29	Very low	252 Å²	252	140.6 Å²	140.6	95%	0.951	79%	0.787	S	S	*	*			cis	-164.1	179.4	35.4	-157.8	173.1	-177.9	172.8	-0.3	111.2
290	M	23.9	Very low	29	Very low	153 Å²	153	143.6 Å²	143.6	75%	0.754	79%	0.79	S	S	*	*			trans	-93.6	156	-171.7	-93.3	-167	179.7	0	0	116.8
291	R	26.3	Very low	28.9	Very low	221 Å²	221	141.8 Å²	141.8	83%	0.834	79%	0.785	S	S	*	*			trans	69.2	145.2	152.9	-71	170.2	-170.2	-150.1	1.3	116.7
292	S	23.1	Very low	28.7	Very low	94 Å²	94	142.7 Å²	142.7	66%	0.657	79%	0.787	S	S	*	*			cis	-171	173.2	6.7	35.5	0	0	0	0	112.9
293	H	26.7	Very low	27.4	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.856	80%	0.801	S	S	*	*			trans	85.9	117.2	161.7	-70.4	-75.9	0	0	0	122.3
294	G	23.6	Very low	27.8	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	80%	0.801	S	S	*	*			trans	79.2	153.5	152.4	0	0	0	0	0	117.2
295	L	25.9	Very low	28.3	Very low	177 Å²	177	140 Å²	140	93%	0.927	80%	0.796	S	S	*	*			cis	-165.9	154.1	-8.5	-94.4	176.6	0	0	0	106.1
296	A	24	Very low	27.8	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	80%	0.797	S	S	*	*			cis	-159.5	177.6	-13.6	0	0	0	0	0	108.4
297	A	27	Very low	28.3	Very low	87 Å²	87	139.7 Å²	139.7	72%	0.719	80%	0.797	S	S	*	*			trans	-147.7	151.8	174.2	0	0	0	0	0	113
298	P	32.3	Very low	28.6	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	79%	0.792	S	S	*	*			trans	-89.9	128.6	159.7	33.7	-27.8	0	0	0	110.2
299	T	26.8	Very low	28.9	Very low	118 Å²	118	141.3 Å²	141.3	72%	0.724	79%	0.793	S	S	*	*				64.5	137.6	68.2	67.2	0	0	0	0	113.1
300	V	28.1	Very low	29	Very low	140 Å²	140	134.7 Å²	134.7	85%	0.848	79%	0.786	S	S	*	*			cis	-134.1	165.9	39.2	173.9	0	0	0	0	113.7
301	E	26	Very low	29.2	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	79%	0.785	S	S	*	*			trans	-98.5	-178.5	-166.5	-61.4	150.8	100.9	0	0	116.4
302	Q	24.8	Very low	29.3	Very low	184 Å²	184	127 Å²	127	86%	0.86	78%	0.782	S	S	*	*			trans	-142.1	170	167.4	-80.1	-166.9	-9.3	0	0	111.8
303	Q	27	Very low	29.4	Very low	188 Å²	188	129 Å²	129	88%	0.879	79%	0.79	S	S	*	*			trans	92.1	160.7	176.8	-56.7	-174.9	-14.8	0	0	116
304	P	33.6	Very low	29.7	Very low	115 Å²	115	128 Å²	128	75%	0.747	79%	0.79	S	S	*	*			cis	-128.1	178.8	-4.3	19.3	6.7	0	0	0	116
305	P	38.6	Very low	30.7	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	79%	0.793	S	S	*	*			trans	-93.7	-166	173.7	41.4	-38.9	0	0	0	112.7
306	P	41.3	Very low	30.6	Very low	117 Å²	117	126.6 Å²	126.6	76%	0.76	79%	0.787	S	S	*	*			cis	-118	-128.8	-1.7	42.1	-22.2	0	0	0	112
307	P	37.7	Very low	31.1	Very low	120 Å²	120	128.6 Å²	128.6	78%	0.779	79%	0.789	S	S	*	*			cis	-121.4	-149.5	14	45.8	-29.9	0	0	0	114.8
308	V	31.7	Very low	31.6	Very low	125 Å²	125	130 Å²	130	76%	0.758	79%	0.79	S	S	*	*			trans	-139.6	155.4	-179	-159.2	0	0	0	0	110.8
309	P	32.9	Very low	31.8	Very low	129 Å²	129	130.3 Å²	130.3	84%	0.838	79%	0.793	S	S	*	*			trans	-138.6	172.8	130.7	39.3	-27.7	0	0	0	114.6
310	S	28	Very low	32.6	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	80%	0.796	S	S	*	*			trans	-113.7	168.3	-161.9	-45.6	0	0	0	0	115.7
311	A	28.5	Very low	32.7	Very low	88 Å²	88	131.8 Å²	131.8	73%	0.727	80%	0.799	S	S	*	*			trans	116.9	125.4	134.4	0	0	0	0	0	120.3
312	T	27.4	Very low	33.3	Very low	125 Å²	125	133.2 Å²	133.2	77%	0.767	81%	0.805	S	S	*	*			trans	59.6	111.8	148.9	0.9	0	0	0	0	121.5
313	T	26.2	Very low	33.6	Very low	135 Å²	135	127.9 Å²	127.9	83%	0.828	80%	0.799	S	S	*	*				173.4	157.6	101	32.9	0	0	0	0	112.9
314	L	32.3	Very low	33.9	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	80%	0.8	S	S	*	*			trans	-108.9	167.9	159.4	-68.1	170.6	0	0	0	107.5
315	P	45.3	Very low	34.1	Very low	122 Å²	122	127.3 Å²	127.3	79%	0.792	80%	0.801	S	S	*	*			cis	-136.4	-158.3	9	42.7	-23.7	0	0	0	114
316	A	24.3	Very low	34.4	Very low	96 Å²	96	127.8 Å²	127.8	79%	0.793	81%	0.807	S	S	*	*			trans	110.9	138.7	148.5	0	0	0	0	0	120.1
317	V	34	Very low	35.2	Very low	134 Å²	134	127.5 Å²	127.5	81%	0.812	80%	0.803	S	S	*	*			trans	-114.2	153.7	162.5	171.9	0	0	0	0	104.4
318	P	37.6	Very low	36.4	Very low	116 Å²	116	123 Å²	123	75%	0.753	78%	0.779	S	S	*	*			cis	-119.5	-157.4	15.8	9.9	19.5	0	0	0	111.7
319	P	35.8	Very low	38.6	Very low	119 Å²	119	118.8 Å²	118.8	77%	0.773	75%	0.754	S	S	*	*			cis	-126.8	-177.8	1.8	42.9	-26.9	0	0	0	115.7
320	A	44.7	Very low	40.8	Very low	96 Å²	96	116 Å²	116	79%	0.793	74%	0.737	S	S	*	*			trans	-88.4	134.6	166	0	0	0	0	0	111
321	E	28.7	Very low	43.5	Very low	192 Å²	192	111.8 Å²	111.8	90%	0.897	71%	0.706	S	S	*	*			trans	-140	173.6	153.2	-78.3	-154.6	160.1	0	0	109
322	E	39	Very low	46.1	Very low	202 Å²	202	111.6 Å²	111.6	94%	0.944	70%	0.698	S	S	*	*			trans	-72.7	130.4	-156.3	-56.2	-180	140.3	0	0	114.5
323	G	30.3	Very low	48.8	Very low	71 Å²	71	106 Å²	106	73%	0.732	66%	0.663	S	S	*	*			trans	-139.6	111.4	172.5	0	0	0	0	0	110.6	D325	G323-D325 PolarHBondContact O-N 2.92Å
324	V	34.9	Very low	51.5	Low	146 Å²	146	103.6 Å²	103.6	89%	0.885	65%	0.65	S	S	*	*			trans	-64.5	120.9	-172.5	-99.9	0	0	0	0	113.3	S326	V324-S326 PolarHBondContact O-N 3.19Å
325	D	37.2	Very low	53.9	Low	145 Å²	145	99.4 Å²	99.4	78%	0.775	63%	0.629	S	S	*	*			trans	-55.2	128.8	163.6	-84.1	-51.4	0	0	0	110.6	G323 V327	G323-D325 PolarHBondContact O-N 2.92Å; D325-V327 HydrophobicContact CB-CG2 4.31Å; D325-V327 PolarHBondContact O-N 3.36Å
326	S	45.9	Very low	55.6	Low	127 Å²	127	96.3 Å²	96.3	89%	0.888	62%	0.619	S	S	*	*			trans	-76.8	68.4	176.9	-69.4	0	0	0	0	111.7	V324 G328	V324-S326 PolarHBondContact O-N 3.19Å; S326-G328 PolarHBondContact O-N 2.88Å; S326-G328 VanDerWaalsContact O-N 3.17Å
327	V	56	Low	58.5	Low	110 Å²	110	96.5 Å²	96.5	67%	0.667	60%	0.602	S	S	*	*			trans	-61.7	113.9	172.3	-175.9	0	0	0	0	109	D325	D325-V327 HydrophobicContact CB-CG2 4.31Å; D325-V327 PolarHBondContact O-N 3.36Å
328	G	63.6	Low	60.9	Low	26 Å²	26	93.7 Å²	93.7	27%	0.268	59%	0.588	S	S	.	*			trans	-62.6	162.7	176.2	0	0	0	0	0	112.7	S326 S330	S326-G328 PolarHBondContact O-N 2.88Å; S326-G328 VanDerWaalsContact O-N 3.17Å; G328-S330 PolarHBondContact O-N 2.78Å
329	P	77.3	Confident	63.3	Low	36 Å²	36	88.1 Å²	88.1	23%	0.234	55%	0.552	C	S	.	*			trans	-56.1	125	-174.8	24.5	-34.9	0	0	0	110.6	P341 Q354 I357 L358	P329-P341 WeakPolarHBondContact O-CD 3.37Å; P329-Q354 HydrophobicContact CG-CG 4.08Å; P329-I357 HydrophobicContact CB-CG2 4.09Å; P329-L358 HydrophobicContact CB-CD2 4.3Å; P329-L358 HydrophobicContact CG-CD2 4.22Å; P329-L358 HydrophobicContact CG-CG 4.34Å
330	S	79.9	Confident	65.8	Low	70 Å²	70	83.4 Å²	83.4	49%	0.49	52%	0.522	S	S	.	.			trans	-124.3	146.8	-175.8	62.3	0	0	0	0	110.9	G328 V339	G328-S330 PolarHBondContact O-N 2.78Å; S330-V339 WeakPolarHBondContact CA-O 3.46Å
331	L	84.1	Confident	67.9	Low	26 Å²	26	79 Å²	79	14%	0.136	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.8	-170.8	-178.8	74.6	0	0	0	109.8	M333 S338 V339 I357 L388 M392	L331-M333 HydrophobicContact CD2-SD 4.35Å; L331-S338 CarbonylContact O-C 3.55Å; L331-S338 WeakPolarHBondContact O-CA 3.09Å; L331-V339 PolarHBondContact N-O 3.09Å; L331-V339 PolarHBondContact O-N 3.3Å; L331-I357 HydrophobicContact CB-CG1 4.46Å; L331-I357 HydrophobicContact CB-CG2 4.29Å; L331-L388 HydrophobicContact CD2-CD1 3.7Å; L331-L388 HydrophobicContact CD2-CD2 4.25Å; L331-L388 HydrophobicContact CD2-CG 4.21Å; L331-M392 HydrophobicContact CD1-CE 3.99Å; L331-M392 HydrophobicContact CD1-SD 4.17Å; L331-M392 HydrophobicContact CD2-CE 4.5Å; L331-M392 HydrophobicContact CD2-CG 4.31Å; L331-M392 HydrophobicContact CD2-SD 3.74Å; L331-M392 HydrophobicContact CG-SD 4.4Å
332	C	84.8	Confident	70.6	Confident	85 Å²	85	72.6 Å²	72.6	57%	0.574	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.9	172.5	-167.6	0	0	0	0	110.5
333	M	84.1	Confident	72.7	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.03	44%	0.439	C	S	.	.			trans	-82.4	161.5	177.6	-61.6	-60.1	-73.9	0	0	111	L331 N335 G336 K337 V339 L388 L391 A428	L331-M333 HydrophobicContact CD2-SD 4.35Å; M333-N335 WeakPolarHBondContact CB-OD1 3.46Å; M333-N335 PolarHBondContact O-N 3.1Å; M333-G336 PolarHBondContact O-N 2.82Å; M333-K337 WeakPolarHBondContact CB-O 3.45Å; M333-K337 WeakPolarHBondContact CG-O 3.42Å; M333-K337 PolarHBondContact N-O 2.67Å; M333-V339 HydrophobicContact CG-CB 4.48Å; M333-V339 HydrophobicContact CG-CG2 3.55Å; M333-V339 HydrophobicContact SD-CB 4.44Å; M333-V339 HydrophobicContact SD-CG2 3.73Å; M333-L388 HydrophobicContact SD-CD1 4.4Å; M333-L391 HydrophobicContact CE-CB 3.45Å; M333-L391 VanDerWaalsContact CE-CB 3.45Å; M333-L391 HydrophobicContact CE-CD1 4.5Å; M333-A428 HydrophobicContact CE-CB 4.28Å
334	P	82.3	Confident	75.5	Confident	86 Å²	86	62.5 Å²	62.5	56%	0.558	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.8	-179.7	-26.5	36.2	0	0	0	115.4	M392	P334-M392 VanDerWaalsContact CG-O 3.23Å; P334-M392 WeakPolarHBondContact CG-O 3.48Å
335	N	83.3	Confident	78	Confident	76 Å²	76	58.9 Å²	58.9	41%	0.406	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.5	176.1	69.4	2.8	0	0	0	113.9	M333 K337 Q427 A428	M333-N335 WeakPolarHBondContact CB-OD1 3.46Å; M333-N335 PolarHBondContact O-N 3.1Å; N335-K337 WeakPolarHBondContact OD1-CB 3.38Å; N335-K337 PolarHBondContact OD1-N 2.91Å; N335-Q427 PolarHBondContact ND2-O 3.22Å; N335-A428 WeakPolarHBondContact ND2-CA 3.37Å; N335-A428 PolarHBondContact ND2-O 2.82Å
336	G	79.1	Confident	80.3	Confident	58 Å²	58	57.8 Å²	57.8	60%	0.598	39%	0.386	S	S	*	.	S	Bend	trans	86	-5.5	-179.7	0	0	0	0	0	116.1	M333	M333-G336 PolarHBondContact O-N 2.82Å
337	K	86	Confident	82.3	Confident	100 Å²	100	53.4 Å²	53.4	44%	0.435	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-81	145.9	175.7	-69.8	179.6	166.9	-171.1	0	111.6	M333 N335 Q427	M333-K337 WeakPolarHBondContact CB-O 3.45Å; M333-K337 WeakPolarHBondContact CG-O 3.42Å; M333-K337 PolarHBondContact N-O 2.67Å; N335-K337 WeakPolarHBondContact OD1-CB 3.38Å; N335-K337 PolarHBondContact OD1-N 2.91Å; K337-Q427 WeakPolarHBondContact CD-O 3.45Å
338	S	85.3	Confident	83.9	Confident	74 Å²	74	53.5 Å²	53.5	52%	0.517	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.7	177.2	56.5	0	0	0	0	112.6	L331	L331-S338 CarbonylContact O-C 3.55Å; L331-S338 WeakPolarHBondContact O-CA 3.09Å
339	V	87.8	Confident	85	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.8	169.4	169.1	0	0	0	0	107.9	S330 L331 M333 L353 I357 Y423 M424 Q427	S330-V339 WeakPolarHBondContact CA-O 3.46Å; L331-V339 PolarHBondContact N-O 3.09Å; L331-V339 PolarHBondContact O-N 3.3Å; M333-V339 HydrophobicContact CG-CB 4.48Å; M333-V339 HydrophobicContact CG-CG2 3.55Å; M333-V339 HydrophobicContact SD-CB 4.44Å; M333-V339 HydrophobicContact SD-CG2 3.73Å; V339-L353 HydrophobicContact CG1-CD1 3.94Å; V339-L353 HydrophobicContact CG1-CD2 4.17Å; V339-L353 HydrophobicContact CG1-CG 4.48Å; V339-I357 HydrophobicContact CG1-CD1 4.13Å; V339-Y423 HydrophobicContact CB-CE1 4.33Å; V339-Y423 HydrophobicContact CG1-CD1 4.46Å; V339-Y423 HydrophobicContact CG1-CE1 3.81Å; V339-Y423 HydrophobicContact CG2-CE1 4.5Å; V339-M424 HydrophobicContact CG1-CG 4.31Å; V339-Q427 HydrophobicContact CG2-CB 3.75Å; V339-Q427 HydrophobicContact CG2-CG 4.25Å
340	S	88.8	Confident	85.7	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.14	36%	0.362	C	S	.	.			trans	-135.6	135.3	180	62.9	0	0	0	0	111.7	S342 A343 Y423	S340-S342 WeakPolarHBondContact CB-OG 3.46Å; S340-S342 PolarHBondContact O-N 3.16Å; S340-S342 PolarHBondContact OG-OG 3.33Å; S340-A343 PolarHBondContact O-N 2.65Å; S340-Y423 PolarHBondContact N-OH 2.89Å; S340-Y423 PolarHBondContact O-OH 3.02Å
341	P	87.4	Confident	86.1	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.019	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-65	-20.1	175	-20.4	32.8	0	0	0	113	P329 A343 L344 R350 L353 Q354 I357	P329-P341 WeakPolarHBondContact O-CD 3.37Å; P341-A343 PolarHBondContact O-N 3.47Å; P341-L344 PolarHBondContact O-N 3.4Å; P341-R350 HydrophobicContact CB-CG 3.96Å; P341-R350 WeakPolarHBondContact O-CD 3.42Å; P341-R350 VanDerWaalsContact O-CG 3.3Å; P341-R350 WeakPolarHBondContact O-CG 3.47Å; P341-R350 PolarHBondContact O-NE 2.89Å; P341-R350 PolarHBondContact O-NH1 2.93Å; P341-L353 HydrophobicContact CG-CG 4.37Å; P341-Q354 HydrophobicContact CB-CB 4.02Å; P341-Q354 HydrophobicContact CG-CB 3.79Å; P341-Q354 HydrophobicContact CG-CG 4.33Å; P341-I357 HydrophobicContact CG-CD1 3.88Å
342	S	85.1	Confident	86.4	Confident	58 Å²	58	55.4 Å²	55.4	41%	0.406	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-65.6	-25	175.4	45.4	0	0	0	0	113.6	S340 L344 R350	S340-S342 WeakPolarHBondContact CB-OG 3.46Å; S340-S342 PolarHBondContact O-N 3.16Å; S340-S342 PolarHBondContact OG-OG 3.33Å; S342-L344 PolarHBondContact O-N 2.85Å; S342-R350 PolarHBondContact O-NH1 2.92Å
343	A	84.4	Confident	86.5	Confident	56 Å²	56	51.3 Å²	51.3	46%	0.463	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-77.1	-6.8	175.1	0	0	0	0	0	113.9	S340 P341 Y423	S340-A343 PolarHBondContact O-N 2.65Å; P341-A343 PolarHBondContact O-N 3.47Å; A343-Y423 HydrophobicContact CB-CE2 3.67Å; A343-Y423 WeakPolarHBondContact CB-OH 3.46Å
344	L	88.4	Confident	86.8	Confident	4 Å²	4	55 Å²	55	2%	0.021	36%	0.358	C	S	.	.	S	Bend	trans	-101.7	148.4	173.3	-67.7	-178.2	0	0	0	111.1	P341 S342 R350 L353 L419 E420 Y423	P341-L344 PolarHBondContact O-N 3.4Å; S342-L344 PolarHBondContact O-N 2.85Å; L344-R350 HydrophobicContact CB-CB 4.03Å; L344-R350 WeakPolarHBondContact O-CD 3.15Å; L344-R350 PolarHBondContact O-NH1 2.87Å; L344-L353 HydrophobicContact CD1-CB 4.27Å; L344-L353 HydrophobicContact CD1-CD2 3.69Å; L344-L353 HydrophobicContact CG-CD2 4.4Å; L344-L419 HydrophobicContact CD2-CD2 4.24Å; L344-L419 HydrophobicContact CD2-CG 4.04Å; L344-E420 HydrophobicContact CD1-CB 3.82Å; L344-Y423 HydrophobicContact CD2-CD2 4.19Å; L344-Y423 HydrophobicContact CD2-CG 3.97Å; L344-Y423 HydrophobicContact CG-CD1 4.48Å; L344-Y423 HydrophobicContact CG-CG 4.39Å
345	P	86.9	Confident	87.1	Confident	70 Å²	70	58 Å²	58	46%	0.455	36%	0.363	S	S	.	.			trans	-60.8	153.4	174.4	26	-34.4	0	0	0	111.5	G347 R350 L419	P345-G347 PolarHBondContact O-N 3.32Å; P345-G347 VanDerWaalsContact O-N 3.13Å; P345-R350 WeakPolarHBondContact O-CB 2.99Å; P345-L419 HydrophobicContact CG-CD2 4.05Å
346	P	85.5	Confident	87.3	Confident	122 Å²	122	54.6 Å²	54.6	79%	0.792	35%	0.345	S	S	*	.	S	Bend	trans	-57.7	115.8	173.5	-23.3	34.6	0	0	0	111.3
347	G	88.9	Confident	87.6	Confident	35 Å²	35	51.9 Å²	51.9	36%	0.361	32%	0.317	S	S	.	.	S	Bend	trans	169.7	-175.5	-174.2	0	0	0	0	0	114	P345 S349 R350 A351	P345-G347 PolarHBondContact O-N 3.32Å; P345-G347 VanDerWaalsContact O-N 3.13Å; G347-S349 PolarHBondContact O-N 3.49Å; G347-R350 PolarHBondContact O-N 2.85Å; G347-A351 PolarHBondContact O-N 3.14Å; G347-A351 VanDerWaalsContact O-N 3.15Å
348	P	88.5	Confident	87.6	Confident	113 Å²	113	51 Å²	51	73%	0.734	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-39.2	-175.9	24.3	-33.5	0	0	0	112.9	R350 A351 A352	P348-R350 PolarHBondContact O-N 3.46Å; P348-A351 PolarHBondContact O-N 3.19Å; P348-A352 WeakPolarHBondContact O-CB 3.46Å; P348-A352 PolarHBondContact O-N 2.96Å
349	S	88.3	Confident	87.4	Confident	24 Å²	24	50 Å²	50	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-45	176.1	-64.7	0	0	0	0	113	G347 A352 L353 E420	G347-S349 PolarHBondContact O-N 3.49Å; S349-A352 PolarHBondContact O-N 3.39Å; S349-L353 WeakPolarHBondContact O-CB 3.3Å; S349-L353 PolarHBondContact O-N 3.35Å; S349-E420 WeakPolarHBondContact CA-OE2 3.42Å; S349-E420 WeakPolarHBondContact CB-OE2 3.2Å; S349-E420 PolarHBondContact OG-OE2 3.36Å
350	R	90.3	Very high	86.9	Confident	80 Å²	80	50.5 Å²	50.5	30%	0.302	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-43.1	175.1	174.3	167	178.4	150.2	-7.4	112	P341 S342 L344 P345 G347 P348 L353 Q354	P341-R350 HydrophobicContact CB-CG 3.96Å; P341-R350 WeakPolarHBondContact O-CD 3.42Å; P341-R350 VanDerWaalsContact O-CG 3.3Å; P341-R350 WeakPolarHBondContact O-CG 3.47Å; P341-R350 PolarHBondContact O-NE 2.89Å; P341-R350 PolarHBondContact O-NH1 2.93Å; S342-R350 PolarHBondContact O-NH1 2.92Å; L344-R350 HydrophobicContact CB-CB 4.03Å; L344-R350 WeakPolarHBondContact O-CD 3.15Å; L344-R350 PolarHBondContact O-NH1 2.87Å; P345-R350 WeakPolarHBondContact O-CB 2.99Å; G347-R350 PolarHBondContact O-N 2.85Å; P348-R350 PolarHBondContact O-N 3.46Å; R350-L353 PolarHBondContact O-N 3.28Å; R350-Q354 VanDerWaalsContact O-CB 3.29Å; R350-Q354 WeakPolarHBondContact O-CB 3.45Å; R350-Q354 PolarHBondContact O-N 2.82Å
351	A	89.4	Confident	85.8	Confident	57 Å²	57	55.4 Å²	55.4	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-39.3	177	0	0	0	0	0	112.4	G347 P348 K355	G347-A351 PolarHBondContact O-N 3.14Å; G347-A351 VanDerWaalsContact O-N 3.15Å; P348-A351 PolarHBondContact O-N 3.19Å; A351-K355 VanDerWaalsContact O-CB 3.31Å; A351-K355 WeakPolarHBondContact O-CB 3.46Å; A351-K355 PolarHBondContact O-N 2.79Å
352	A	88.9	Confident	84.8	Confident	36 Å²	36	60.1 Å²	60.1	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-45.1	175.9	0	0	0	0	0	111.8	P348 S349 K355 A356 V384 E420	P348-A352 WeakPolarHBondContact O-CB 3.46Å; P348-A352 PolarHBondContact O-N 2.96Å; S349-A352 PolarHBondContact O-N 3.39Å; A352-K355 PolarHBondContact O-N 2.76Å; A352-A356 WeakPolarHBondContact O-CB 3.08Å; A352-A356 PolarHBondContact O-N 2.83Å; A352-V384 HydrophobicContact CB-CG2 4.3Å; A352-E420 HydrophobicContact CB-CG 4.44Å
353	L	88.9	Confident	83.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-43.3	175.7	-176.2	59.4	0	0	0	112.3	V339 P341 L344 S349 R350 K355 A356 I357 E420 Y423 M424	V339-L353 HydrophobicContact CG1-CD1 3.94Å; V339-L353 HydrophobicContact CG1-CD2 4.17Å; V339-L353 HydrophobicContact CG1-CG 4.48Å; P341-L353 HydrophobicContact CG-CG 4.37Å; L344-L353 HydrophobicContact CD1-CB 4.27Å; L344-L353 HydrophobicContact CD1-CD2 3.69Å; L344-L353 HydrophobicContact CG-CD2 4.4Å; S349-L353 WeakPolarHBondContact O-CB 3.3Å; S349-L353 PolarHBondContact O-N 3.35Å; R350-L353 PolarHBondContact O-N 3.28Å; L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.82Å; L353-A356 WeakPolarHBondContact O-CB 3.39Å; L353-A356 PolarHBondContact O-N 2.86Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CD1-CG1 4.39Å; L353-I357 HydrophobicContact CG-CD1 4.1Å; L353-I357 WeakPolarHBondContact O-CG1 3.37Å; L353-I357 PolarHBondContact O-N 3.01Å; L353-E420 HydrophobicContact CB-CB 4.29Å; L353-Y423 HydrophobicContact CD2-CD1 3.67Å; L353-Y423 HydrophobicContact CD2-CE1 3.7Å; L353-M424 HydrophobicContact CD1-CG 3.82Å; L353-M424 HydrophobicContact CD1-SD 3.66Å
354	Q	89.5	Confident	82.6	Confident	82 Å²	82	66.4 Å²	66.4	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176	-176	174.8	-6.4	0	0	111.6	P329 P341 R350 A356 I357 L358	P329-Q354 HydrophobicContact CG-CG 4.08Å; P341-Q354 HydrophobicContact CB-CB 4.02Å; P341-Q354 HydrophobicContact CG-CB 3.79Å; P341-Q354 HydrophobicContact CG-CG 4.33Å; R350-Q354 VanDerWaalsContact O-CB 3.29Å; R350-Q354 WeakPolarHBondContact O-CB 3.45Å; R350-Q354 PolarHBondContact O-N 2.82Å; Q354-A356 VanDerWaalsContact C-N 3.33Å; Q354-A356 PolarHBondContact O-N 2.89Å; Q354-I357 PolarHBondContact O-N 3.31Å; Q354-L358 HydrophobicContact CG-CD1 4.08Å; Q354-L358 WeakPolarHBondContact O-CB 3.16Å; Q354-L358 VanDerWaalsContact O-CG 3.31Å; Q354-L358 WeakPolarHBondContact O-CG 3.5Å; Q354-L358 PolarHBondContact O-N 3.41Å; Q354-L358 VanDerWaalsContact O-N 3.09Å
355	K	88.7	Confident	80.9	Confident	150 Å²	150	77.5 Å²	77.5	65%	0.652	41%	0.406	S	S	*	.	H	α-helix	trans	-61.1	-40.5	173.7	-177.1	-178.9	178.2	-176.8	0	111.8	A351 A352 L353 T359	A351-K355 VanDerWaalsContact O-CB 3.31Å; A351-K355 WeakPolarHBondContact O-CB 3.46Å; A351-K355 PolarHBondContact O-N 2.79Å; A352-K355 PolarHBondContact O-N 2.76Å; L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.82Å; K355-T359 WeakPolarHBondContact O-CB 3.29Å; K355-T359 PolarHBondContact O-N 3.16Å; K355-T359 PolarHBondContact O-OG1 2.81Å
356	A	86.9	Confident	79.7	Confident	5 Å²	5	80 Å²	80	4%	0.041	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-50.1	178.1	0	0	0	0	0	111.7	A352 L353 Q354 L358 T359 Q360 V384 Q385 L388	A352-A356 WeakPolarHBondContact O-CB 3.08Å; A352-A356 PolarHBondContact O-N 2.83Å; L353-A356 WeakPolarHBondContact O-CB 3.39Å; L353-A356 PolarHBondContact O-N 2.86Å; Q354-A356 VanDerWaalsContact C-N 3.33Å; Q354-A356 PolarHBondContact O-N 2.89Å; A356-L358 PolarHBondContact O-N 3.37Å; A356-T359 WeakPolarHBondContact O-CB 3.36Å; A356-T359 PolarHBondContact O-N 2.95Å; A356-T359 VanDerWaalsContact O-N 3.12Å; A356-Q360 WeakPolarHBondContact O-CB 3.33Å; A356-Q360 PolarHBondContact O-N 2.84Å; A356-V384 HydrophobicContact CB-CG1 3.88Å; A356-Q385 PolarHBondContact O-OE1 3.5Å; A356-L388 HydrophobicContact CB-CD2 3.87Å
357	I	86.1	Confident	78.4	Confident	0 Å²	0	84 Å²	84	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-45.7	178.8	-65.2	168.8	0	0	0	111.4	P329 L331 V339 P341 L353 Q354 T359 Q360 E361 L388	P329-I357 HydrophobicContact CB-CG2 4.09Å; L331-I357 HydrophobicContact CB-CG1 4.46Å; L331-I357 HydrophobicContact CB-CG2 4.29Å; V339-I357 HydrophobicContact CG1-CD1 4.13Å; P341-I357 HydrophobicContact CG-CD1 3.88Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CD1-CG1 4.39Å; L353-I357 HydrophobicContact CG-CD1 4.1Å; L353-I357 WeakPolarHBondContact O-CG1 3.37Å; L353-I357 PolarHBondContact O-N 3.01Å; Q354-I357 PolarHBondContact O-N 3.31Å; I357-T359 VanDerWaalsContact C-N 3.32Å; I357-T359 PolarHBondContact O-N 2.8Å; I357-Q360 WeakPolarHBondContact O-CB 3.29Å; I357-Q360 PolarHBondContact O-N 3.37Å; I357-Q360 VanDerWaalsContact O-N 3.14Å; I357-E361 PolarHBondContact O-N 3.15Å; I357-L388 HydrophobicContact CG1-CD2 4.14Å
358	L	85.1	Confident	77.4	Confident	83 Å²	83	85.1 Å²	85.1	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-35.1	176.5	-68.4	170.2	0	0	0	112.8	P329 Q354 A356	P329-L358 HydrophobicContact CB-CD2 4.3Å; P329-L358 HydrophobicContact CG-CD2 4.22Å; P329-L358 HydrophobicContact CG-CG 4.34Å; Q354-L358 HydrophobicContact CG-CD1 4.08Å; Q354-L358 WeakPolarHBondContact O-CB 3.16Å; Q354-L358 VanDerWaalsContact O-CG 3.31Å; Q354-L358 WeakPolarHBondContact O-CG 3.5Å; Q354-L358 PolarHBondContact O-N 3.41Å; Q354-L358 VanDerWaalsContact O-N 3.09Å; A356-L358 PolarHBondContact O-N 3.37Å
359	T	82.7	Confident	76.7	Confident	52 Å²	52	91.7 Å²	91.7	32%	0.319	42%	0.423	S	S	.	.	H	α-helix	trans	-68	-39.2	173.8	-55.7	0	0	0	0	110.6	K355 A356 I357 E361 T362 E363	K355-T359 WeakPolarHBondContact O-CB 3.29Å; K355-T359 PolarHBondContact O-N 3.16Å; K355-T359 PolarHBondContact O-OG1 2.81Å; A356-T359 WeakPolarHBondContact O-CB 3.36Å; A356-T359 PolarHBondContact O-N 2.95Å; A356-T359 VanDerWaalsContact O-N 3.12Å; I357-T359 VanDerWaalsContact C-N 3.32Å; I357-T359 PolarHBondContact O-N 2.8Å; T359-E361 VanDerWaalsContact C-N 3.35Å; T359-E361 PolarHBondContact O-N 2.78Å; T359-T362 PolarHBondContact O-N 2.86Å; T359-T362 PolarHBondContact O-OG1 3.39Å; T359-E363 HydrophobicContact CG2-CG 4.2Å; T359-E363 PolarHBondContact O-N 3.2Å; T359-E363 VanDerWaalsContact O-N 3.1Å
360	Q	75.9	Confident	76.4	Confident	10 Å²	10	92.4 Å²	92.4	5%	0.047	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-35.5	-175.9	-174.7	57.6	15.6	0	0	113.5	A356 I357 T362 E363 R364 L388 M392	A356-Q360 WeakPolarHBondContact O-CB 3.33Å; A356-Q360 PolarHBondContact O-N 2.84Å; I357-Q360 WeakPolarHBondContact O-CB 3.29Å; I357-Q360 PolarHBondContact O-N 3.37Å; I357-Q360 VanDerWaalsContact O-N 3.14Å; Q360-T362 PolarHBondContact O-N 2.83Å; Q360-E363 PolarHBondContact O-N 3.35Å; Q360-R364 PolarHBondContact O-N 2.94Å; Q360-R364 VanDerWaalsContact O-N 3.15Å; Q360-L388 HydrophobicContact CB-CD2 4.17Å; Q360-L388 HydrophobicContact CG-CD2 4.4Å; Q360-M392 HydrophobicContact CG-SD 3.48Å; Q360-M392 WeakPolarHBondContact CG-SD 3.44Å; Q360-M392 PolarHBondContact NE2-SD 2.56Å
361	E	66.6	Low	76	Confident	123 Å²	123	93.1 Å²	93.1	58%	0.575	43%	0.429	S	S	*	.	H	α-helix	trans	-59.6	-33.9	172.9	-68	-178.3	172.1	0	0	112.5	I357 T359	I357-E361 PolarHBondContact O-N 3.15Å; T359-E361 VanDerWaalsContact C-N 3.35Å; T359-E361 PolarHBondContact O-N 2.78Å
362	T	66.5	Low	75.7	Confident	102 Å²	102	92.5 Å²	92.5	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-80.9	-34.4	177.4	74.9	0	0	0	0	113.1	T359 Q360	T359-T362 PolarHBondContact O-N 2.86Å; T359-T362 PolarHBondContact O-OG1 3.39Å; Q360-T362 PolarHBondContact O-N 2.83Å
363	E	64.2	Low	75.5	Confident	53 Å²	53	97.4 Å²	97.4	25%	0.248	43%	0.431	C	S	.	.	H	α-helix	trans	-80.6	-14.3	-177	-76.6	-95	90.4	0	0	114.2	T359 Q360 R365 K366	T359-E363 HydrophobicContact CG2-CG 4.2Å; T359-E363 PolarHBondContact O-N 3.2Å; T359-E363 VanDerWaalsContact O-N 3.1Å; Q360-E363 PolarHBondContact O-N 3.35Å; E363-R365 PolarHBondContact O-N 3.39Å; E363-K366 PolarHBondContact O-N 3.17Å; E363-K366 WeakPolarHBondContact OE1-CE 3.41Å; E363-K366 IonicContact OE1-NZ 2.77Å; E363-K366 PolarHBondContact OE1-NZ 3.46Å
364	R	58.7	Low	75.4	Confident	193 Å²	193	100.6 Å²	100.6	73%	0.728	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	13.3	-173.9	-137.6	-174.2	91.4	164.1	6.6	117.2	Q360	Q360-R364 PolarHBondContact O-N 2.94Å; Q360-R364 VanDerWaalsContact O-N 3.15Å
365	R	52.8	Low	75.5	Confident	238 Å²	238	96.9 Å²	96.9	90%	0.898	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.5	-178.6	-58.6	-176.8	-177.7	-171	0.5	113.6	E363	E363-R365 PolarHBondContact O-N 3.39Å
366	K	60.4	Low	75.6	Confident	123 Å²	123	91.2 Å²	91.2	54%	0.535	40%	0.403	S	S	.	.	S	Bend	trans	-108.4	120.4	178	-60.9	169.6	-173.6	164.7	0	110.3	E363 L368	E363-K366 PolarHBondContact O-N 3.17Å; E363-K366 WeakPolarHBondContact OE1-CE 3.41Å; E363-K366 IonicContact OE1-NZ 2.77Å; E363-K366 PolarHBondContact OE1-NZ 3.46Å; K366-L368 HydrophobicContact CB-CD2 4.45Å; K366-L368 HydrophobicContact CB-CG 4.26Å; K366-L368 PolarHBondContact O-N 2.97Å
367	K	58.9	Low	75.7	Confident	204 Å²	204	93.2 Å²	93.2	89%	0.887	42%	0.416	S	S	*	.			trans	-76	99.6	169.2	-73.6	-170.2	174.9	-173.6	0	109.8
368	L	68.8	Low	76	Confident	60 Å²	60	93.3 Å²	93.3	31%	0.314	42%	0.417	S	S	.	.			trans	-96.4	126.1	179.5	-65.5	175.1	0	0	0	110.1	K366 F370 L389	K366-L368 HydrophobicContact CB-CD2 4.45Å; K366-L368 HydrophobicContact CB-CG 4.26Å; K366-L368 PolarHBondContact O-N 2.97Å; L368-F370 HydrophobicContact CB-CE1 4.47Å; L368-F370 HydrophobicContact CB-CE2 3.74Å; L368-F370 HydrophobicContact CB-CZ 3.72Å; L368-F370 HydrophobicContact CD1-CZ 3.92Å; L368-F370 HydrophobicContact CG-CZ 4.47Å; L368-L389 HydrophobicContact CD1-CD1 4.29Å; L368-L389 HydrophobicContact CD1-CD2 4.33Å
369	R	73.6	Confident	76.5	Confident	251 Å²	251	89.3 Å²	89.3	95%	0.947	40%	0.396	S	S	*	.			trans	-93.8	115.6	174.8	-73.7	-175	173.9	-179	-1.9	110.4
370	F	81.8	Confident	76.9	Confident	38 Å²	38	91.1 Å²	91.1	17%	0.167	40%	0.4	C	S	.	.			trans	-102.2	159.6	172.5	-57.1	-71.6	0	0	0	111.2	L368 L389 M390 E393 I395	L368-F370 HydrophobicContact CB-CE1 4.47Å; L368-F370 HydrophobicContact CB-CE2 3.74Å; L368-F370 HydrophobicContact CB-CZ 3.72Å; L368-F370 HydrophobicContact CD1-CZ 3.92Å; L368-F370 HydrophobicContact CG-CZ 4.47Å; F370-L389 HydrophobicContact CE2-CB 3.95Å; F370-L389 HydrophobicContact CZ-CB 3.91Å; F370-M390 HydrophobicContact CB-CE 4.21Å; F370-M390 HydrophobicContact CB-CG 3.91Å; F370-M390 HydrophobicContact CD1-CE 3.48Å; F370-M390 VanDerWaalsContact CD1-CE 3.48Å; F370-M390 HydrophobicContact CD1-CG 3.82Å; F370-M390 HydrophobicContact CD2-CB 4.41Å; F370-M390 HydrophobicContact CD2-CG 3.78Å; F370-M390 HydrophobicContact CE1-CE 4.08Å; F370-M390 HydrophobicContact CE1-CG 4.25Å; F370-M390 HydrophobicContact CE2-CG 4.21Å; F370-M390 HydrophobicContact CG-CE 4.01Å; F370-M390 HydrophobicContact CG-CG 3.55Å; F370-M390 HydrophobicContact CZ-CG 4.43Å; F370-E393 HydrophobicContact CD2-CB 4.28Å; F370-E393 HydrophobicContact CD2-CG 4.17Å; F370-E393 HydrophobicContact CE2-CG 4.14Å; F370-I395 HydrophobicContact CB-CD1 4.09Å; F370-I395 HydrophobicContact CB-CG1 4.08Å
371	H	82.1	Confident	77.7	Confident	96 Å²	96	97.3 Å²	97.3	44%	0.444	43%	0.428	S	S	.	.			trans	-115	133.9	174	-177.8	-69.6	0	0	0	108.4	R373 Q374	H371-R373 VanDerWaalsContact C-N 3.3Å; H371-R373 PolarHBondContact ND1-N 3.4Å; H371-R373 PolarHBondContact O-N 2.96Å; H371-R373 VanDerWaalsContact O-N 3.09Å; H371-Q374 HydrophobicContact CB-CG 4.36Å; H371-Q374 VanDerWaalsContact O-CB 3.29Å; H371-Q374 WeakPolarHBondContact O-CB 3.48Å; H371-Q374 WeakPolarHBondContact O-CG 3.26Å; H371-Q374 PolarHBondContact O-N 3.09Å
372	P	82.7	Confident	78.9	Confident	44 Å²	44	92.5 Å²	92.5	29%	0.286	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-50.4	-41.4	-171.2	-31.8	36	0	0	0	115.6	Q374 L375 I395 Y399	P372-Q374 PolarHBondContact O-N 2.85Å; P372-L375 WeakPolarHBondContact O-CB 3.42Å; P372-L375 PolarHBondContact O-N 3.09Å; P372-I395 HydrophobicContact CB-CG2 4.23Å; P372-I395 HydrophobicContact CG-CD1 4.31Å; P372-I395 HydrophobicContact CG-CG2 4.43Å; P372-Y399 HydrophobicContact CB-CD1 4.03Å; P372-Y399 HydrophobicContact CB-CD2 4.18Å; P372-Y399 HydrophobicContact CB-CE1 4.29Å; P372-Y399 HydrophobicContact CB-CE2 4.44Å; P372-Y399 HydrophobicContact CB-CG 3.98Å
373	R	84.8	Confident	80.2	Confident	138 Å²	138	91.5 Å²	91.5	52%	0.521	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-51.4	-16.7	171.6	-67.4	177.4	-180	179.1	-3.5	116	H371 P377 Y399	H371-R373 VanDerWaalsContact C-N 3.3Å; H371-R373 PolarHBondContact ND1-N 3.4Å; H371-R373 PolarHBondContact O-N 2.96Å; H371-R373 VanDerWaalsContact O-N 3.09Å; R373-P377 WeakPolarHBondContact O-CD 3.38Å; R373-Y399 HydrophobicContact CB-CE1 4.37Å; R373-Y399 HydrophobicContact CG-CE1 3.62Å; R373-Y399 WeakPolarHBondContact CG-OH 3.35Å; R373-Y399 PolarHBondContact NE-OH 3.22Å
374	Q	87.8	Confident	81.6	Confident	68 Å²	68	89.7 Å²	89.7	32%	0.318	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-84.6	-15.5	176.5	-59.7	-177.4	12.9	0	0	113.7	H371 P372 P377 A378 M390	H371-Q374 HydrophobicContact CB-CG 4.36Å; H371-Q374 VanDerWaalsContact O-CB 3.29Å; H371-Q374 WeakPolarHBondContact O-CB 3.48Å; H371-Q374 WeakPolarHBondContact O-CG 3.26Å; H371-Q374 PolarHBondContact O-N 3.09Å; P372-Q374 PolarHBondContact O-N 2.85Å; Q374-P377 WeakPolarHBondContact O-CD 3.36Å; Q374-P377 WeakPolarHBondContact O-CG 3.46Å; Q374-A378 WeakPolarHBondContact O-CB 3.39Å; Q374-A378 PolarHBondContact O-N 2.78Å; Q374-M390 HydrophobicContact CB-CE 3.46Å; Q374-M390 VanDerWaalsContact CB-CE 3.46Å; Q374-M390 HydrophobicContact CB-SD 4.42Å
375	L	89.8	Confident	83	Confident	4 Å²	4	82.6 Å²	82.6	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-68.5	-42.1	-179.7	-174.2	66.3	0	0	0	111.6	P372 A378 A379 V387 M390 L391 I395 P397 A409 L425	P372-L375 WeakPolarHBondContact O-CB 3.42Å; P372-L375 PolarHBondContact O-N 3.09Å; L375-A378 PolarHBondContact O-N 3.11Å; L375-A379 VanDerWaalsContact O-CB 3.29Å; L375-A379 WeakPolarHBondContact O-CB 3.34Å; L375-A379 PolarHBondContact O-N 2.89Å; L375-V387 HydrophobicContact CD1-CG1 4.16Å; L375-M390 HydrophobicContact CB-SD 4.24Å; L375-M390 HydrophobicContact CD1-CB 3.99Å; L375-M390 HydrophobicContact CD1-SD 3.96Å; L375-L391 HydrophobicContact CD1-CD2 4.15Å; L375-L391 HydrophobicContact CD1-CG 4.35Å; L375-L391 HydrophobicContact CD2-CD2 4Å; L375-I395 HydrophobicContact CB-CG2 4.31Å; L375-I395 HydrophobicContact CD2-CG2 4.21Å; L375-P397 HydrophobicContact CD2-CB 4.36Å; L375-A409 HydrophobicContact CD2-CB 4.03Å; L375-A409 HydrophobicContact CG-CB 3.83Å; L375-L425 HydrophobicContact CD2-CD2 4.12Å; L375-L425 HydrophobicContact CG-CD2 4.48Å
376	Y	90.9	Very high	84.8	Confident	30 Å²	30	75.8 Å²	75.8	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-57.3	-53.5	176.6	-179.7	-91	0	0	0	113.8	A379 K380 Q404 R407 S408 A412	Y376-A379 PolarHBondContact O-N 2.96Å; Y376-K380 HydrophobicContact CE1-CD 4.39Å; Y376-K380 WeakPolarHBondContact O-CB 3.4Å; Y376-K380 PolarHBondContact O-N 2.69Å; Y376-Q404 VanDerWaalsContact CG-OE1 3.3Å; Y376-R407 HydrophobicContact CE2-CB 3.62Å; Y376-R407 PolarHBondContact OH-NH1 2.81Å; Y376-S408 WeakPolarHBondContact CD2-O 3.5Å; Y376-A412 HydrophobicContact CD2-CB 3.89Å; Y376-A412 HydrophobicContact CE2-CB 3.63Å; Y376-A412 HydrophobicContact CG-CB 4.48Å
377	P	90.5	Very high	86.3	Confident	48 Å²	48	69.9 Å²	69.9	31%	0.312	32%	0.316	S	S	.	.	H	α-helix	trans	-66.4	-37.6	177.7	24.2	-32.9	0	0	0	113	R373 Q374 A379 K380 Q381	R373-P377 WeakPolarHBondContact O-CD 3.38Å; Q374-P377 WeakPolarHBondContact O-CD 3.36Å; Q374-P377 WeakPolarHBondContact O-CG 3.46Å; P377-A379 PolarHBondContact O-N 3.19Å; P377-K380 PolarHBondContact O-N 2.86Å; P377-Q381 WeakPolarHBondContact O-CB 3.38Å; P377-Q381 VanDerWaalsContact O-CG 3.29Å; P377-Q381 WeakPolarHBondContact O-CG 3.49Å; P377-Q381 PolarHBondContact O-N 2.99Å
378	A	92.6	Very high	87.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-42.9	176	0	0	0	0	0	111.9	Q374 L375 Q381 G382 E383 R386 V387 M390	Q374-A378 WeakPolarHBondContact O-CB 3.39Å; Q374-A378 PolarHBondContact O-N 2.78Å; L375-A378 PolarHBondContact O-N 3.11Å; A378-Q381 PolarHBondContact O-N 2.87Å; A378-G382 PolarHBondContact O-N 3.21Å; A378-E383 HydrophobicContact CB-CB 4.5Å; A378-E383 PolarHBondContact O-N 3.21Å; A378-E383 VanDerWaalsContact O-N 3.07Å; A378-R386 HydrophobicContact CB-CG 4.32Å; A378-V387 HydrophobicContact CB-CG2 3.98Å; A378-M390 HydrophobicContact CB-SD 4.28Å
379	A	93.6	Very high	88.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-42.7	173	0	0	0	0	0	111.9	L375 Y376 P377 Q381 G382 V387 A409 L418 V421 L425	L375-A379 VanDerWaalsContact O-CB 3.29Å; L375-A379 WeakPolarHBondContact O-CB 3.34Å; L375-A379 PolarHBondContact O-N 2.89Å; Y376-A379 PolarHBondContact O-N 2.96Å; P377-A379 PolarHBondContact O-N 3.19Å; A379-Q381 PolarHBondContact O-N 3.31Å; A379-G382 PolarHBondContact O-N 2.85Å; A379-V387 HydrophobicContact CB-CG2 4.4Å; A379-A409 HydrophobicContact CB-CB 4Å; A379-L418 WeakPolarHBondContact O-CD1 3.45Å; A379-V421 HydrophobicContact CB-CG1 3.85Å; A379-L425 HydrophobicContact CB-CD1 4.41Å
380	K	92.6	Very high	89.5	Confident	90 Å²	90	46.2 Å²	46.2	39%	0.391	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-27.8	176.4	-164.4	166.4	179.5	166.3	0	113.5	Y376 P377 A412 R416	Y376-K380 HydrophobicContact CE1-CD 4.39Å; Y376-K380 WeakPolarHBondContact O-CB 3.4Å; Y376-K380 PolarHBondContact O-N 2.69Å; P377-K380 PolarHBondContact O-N 2.86Å; K380-A412 HydrophobicContact CB-CB 3.86Å; K380-A412 HydrophobicContact CG-CB 4.29Å; K380-R416 HydrophobicContact CG-CG 4.37Å
381	Q	92.5	Very high	89.8	Confident	139 Å²	139	44.7 Å²	44.7	65%	0.65	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.3	-177.8	-73.4	172.9	-32	0	0	113.7	P377 A378 A379 E383	P377-Q381 WeakPolarHBondContact O-CB 3.38Å; P377-Q381 VanDerWaalsContact O-CG 3.29Å; P377-Q381 WeakPolarHBondContact O-CG 3.49Å; P377-Q381 PolarHBondContact O-N 2.99Å; A378-Q381 PolarHBondContact O-N 2.87Å; A379-Q381 PolarHBondContact O-N 3.31Å; Q381-E383 VanDerWaalsContact C-N 3.32Å; Q381-E383 HydrophobicContact CB-CG 3.98Å
382	G	92.3	Very high	90.1	Very high	22 Å²	22	42.2 Å²	42.2	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	26.8	-175.9	0	0	0	0	0	113.6	A378 A379 V384	A378-G382 PolarHBondContact O-N 3.21Å; A379-G382 PolarHBondContact O-N 2.85Å; G382-V384 PolarHBondContact O-N 2.76Å
383	E	93.4	Very high	90.2	Very high	81 Å²	81	45 Å²	45	38%	0.379	21%	0.211	S	C	.	.			trans	-77.3	66.3	179.2	-64	-165.6	132	0	0	111.4	A378 Q381 Q385 R386 V387	A378-E383 HydrophobicContact CB-CB 4.5Å; A378-E383 PolarHBondContact O-N 3.21Å; A378-E383 VanDerWaalsContact O-N 3.07Å; Q381-E383 VanDerWaalsContact C-N 3.32Å; Q381-E383 HydrophobicContact CB-CG 3.98Å; E383-Q385 VanDerWaalsContact C-N 3.28Å; E383-Q385 PolarHBondContact O-N 2.94Å; E383-Q385 VanDerWaalsContact O-N 3.12Å; E383-R386 HydrophobicContact CB-CB 3.8Å; E383-R386 WeakPolarHBondContact O-CA 3.43Å; E383-R386 WeakPolarHBondContact O-CB 3.48Å; E383-R386 PolarHBondContact O-N 3.03Å; E383-R386 WeakPolarHBondContact OE2-CD 3.08Å; E383-R386 IonicContact OE2-NE 2.69Å; E383-V387 PolarHBondContact O-N 3.41Å
384	V	92.3	Very high	90.3	Very high	16 Å²	16	41 Å²	41	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-45.4	-48.7	-173	-173.3	0	0	0	0	112.4	A352 A356 G382 R386 V387 L388 E420 V421 M424	A352-V384 HydrophobicContact CB-CG2 4.3Å; A356-V384 HydrophobicContact CB-CG1 3.88Å; G382-V384 PolarHBondContact O-N 2.76Å; V384-R386 PolarHBondContact O-N 3.21Å; V384-V387 PolarHBondContact O-N 2.97Å; V384-L388 WeakPolarHBondContact O-CB 3.43Å; V384-L388 PolarHBondContact O-N 2.9Å; V384-E420 HydrophobicContact CG1-CG 4.1Å; V384-E420 HydrophobicContact CG2-CG 3.65Å; V384-V421 HydrophobicContact CG2-CG2 4.29Å; V384-M424 HydrophobicContact CB-CE 4.34Å; V384-M424 HydrophobicContact CG1-CE 3.6Å; V384-M424 HydrophobicContact CG1-SD 4.14Å
385	Q	89.3	Confident	90.4	Very high	44 Å²	44	38.8 Å²	38.8	21%	0.206	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-38	178.2	-179.9	58.3	24	0	0	113.3	A356 E383 L389	A356-Q385 PolarHBondContact O-OE1 3.5Å; E383-Q385 VanDerWaalsContact C-N 3.28Å; E383-Q385 PolarHBondContact O-N 2.94Å; E383-Q385 VanDerWaalsContact O-N 3.12Å; Q385-L389 HydrophobicContact CG-CD1 4.26Å; Q385-L389 WeakPolarHBondContact O-CB 3.1Å; Q385-L389 WeakPolarHBondContact O-CG 3.17Å; Q385-L389 PolarHBondContact O-N 3.31Å
386	R	89.4	Confident	90.3	Very high	94 Å²	94	42 Å²	42	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-73.3	-40.9	179.6	-170.3	-174.5	-176.5	100.3	8.1	111.2	A378 E383 V384 L389 M390	A378-R386 HydrophobicContact CB-CG 4.32Å; E383-R386 HydrophobicContact CB-CB 3.8Å; E383-R386 WeakPolarHBondContact O-CA 3.43Å; E383-R386 WeakPolarHBondContact O-CB 3.48Å; E383-R386 PolarHBondContact O-N 3.03Å; E383-R386 WeakPolarHBondContact OE2-CD 3.08Å; E383-R386 IonicContact OE2-NE 2.69Å; V384-R386 PolarHBondContact O-N 3.21Å; R386-L389 PolarHBondContact O-N 2.83Å; R386-M390 HydrophobicContact CG-CE 3.87Å; R386-M390 HydrophobicContact CG-SD 4.39Å; R386-M390 VanDerWaalsContact O-CG 3.31Å; R386-M390 WeakPolarHBondContact O-CG 3.46Å; R386-M390 PolarHBondContact O-N 2.8Å
387	V	92	Very high	90.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47	173.7	174.7	0	0	0	0	109.9	L375 A378 A379 E383 V384 L389 M390 L391 V421 M424	L375-V387 HydrophobicContact CD1-CG1 4.16Å; A378-V387 HydrophobicContact CB-CG2 3.98Å; A379-V387 HydrophobicContact CB-CG2 4.4Å; E383-V387 PolarHBondContact O-N 3.41Å; V384-V387 PolarHBondContact O-N 2.97Å; V387-L389 PolarHBondContact O-N 3.35Å; V387-M390 PolarHBondContact O-N 2.98Å; V387-L391 HydrophobicContact CG1-CD1 3.67Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 VanDerWaalsContact O-CG 3.28Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 2.66Å; V387-V421 HydrophobicContact CG1-CG1 4.33Å; V387-V421 HydrophobicContact CG2-CG1 4.36Å; V387-M424 HydrophobicContact CB-CE 4.05Å; V387-M424 HydrophobicContact CG1-CE 3.88Å
388	L	90.4	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-48.2	176.4	-171.7	60.4	0	0	0	112.1	L331 M333 A356 I357 Q360 V384 M390 L391 M392 M424	L331-L388 HydrophobicContact CD2-CD1 3.7Å; L331-L388 HydrophobicContact CD2-CD2 4.25Å; L331-L388 HydrophobicContact CD2-CG 4.21Å; M333-L388 HydrophobicContact SD-CD1 4.4Å; A356-L388 HydrophobicContact CB-CD2 3.87Å; I357-L388 HydrophobicContact CG1-CD2 4.14Å; Q360-L388 HydrophobicContact CB-CD2 4.17Å; Q360-L388 HydrophobicContact CG-CD2 4.4Å; V384-L388 WeakPolarHBondContact O-CB 3.43Å; V384-L388 PolarHBondContact O-N 2.9Å; L388-M390 PolarHBondContact O-N 3.26Å; L388-L391 PolarHBondContact O-N 3.37Å; L388-M392 WeakPolarHBondContact O-CB 3.36Å; L388-M392 WeakPolarHBondContact O-CG 3.42Å; L388-M392 PolarHBondContact O-N 2.76Å; L388-M424 HydrophobicContact CB-SD 3.91Å; L388-M424 HydrophobicContact CD1-SD 3.85Å; L388-M424 HydrophobicContact CG-SD 4.4Å
389	L	88.8	Confident	90.2	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-45	175.2	-84.8	164.5	0	0	0	113	L368 F370 Q385 R386 V387 M392 E393	L368-L389 HydrophobicContact CD1-CD1 4.29Å; L368-L389 HydrophobicContact CD1-CD2 4.33Å; F370-L389 HydrophobicContact CE2-CB 3.95Å; F370-L389 HydrophobicContact CZ-CB 3.91Å; Q385-L389 HydrophobicContact CG-CD1 4.26Å; Q385-L389 WeakPolarHBondContact O-CB 3.1Å; Q385-L389 WeakPolarHBondContact O-CG 3.17Å; Q385-L389 PolarHBondContact O-N 3.31Å; R386-L389 PolarHBondContact O-N 2.83Å; V387-L389 PolarHBondContact O-N 3.35Å; L389-M392 PolarHBondContact O-N 2.77Å; L389-E393 PolarHBondContact O-N 2.84Å; L389-E393 VanDerWaalsContact O-N 3.09Å
390	M	89.1	Confident	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-45	178.8	-76	174.9	175.4	0	0	112.4	F370 Q374 L375 A378 R386 V387 L388 M392 E393 G394 I395	F370-M390 HydrophobicContact CB-CE 4.21Å; F370-M390 HydrophobicContact CB-CG 3.91Å; F370-M390 HydrophobicContact CD1-CE 3.48Å; F370-M390 VanDerWaalsContact CD1-CE 3.48Å; F370-M390 HydrophobicContact CD1-CG 3.82Å; F370-M390 HydrophobicContact CD2-CB 4.41Å; F370-M390 HydrophobicContact CD2-CG 3.78Å; F370-M390 HydrophobicContact CE1-CE 4.08Å; F370-M390 HydrophobicContact CE1-CG 4.25Å; F370-M390 HydrophobicContact CE2-CG 4.21Å; F370-M390 HydrophobicContact CG-CE 4.01Å; F370-M390 HydrophobicContact CG-CG 3.55Å; F370-M390 HydrophobicContact CZ-CG 4.43Å; Q374-M390 HydrophobicContact CB-CE 3.46Å; Q374-M390 VanDerWaalsContact CB-CE 3.46Å; Q374-M390 HydrophobicContact CB-SD 4.42Å; L375-M390 HydrophobicContact CB-SD 4.24Å; L375-M390 HydrophobicContact CD1-CB 3.99Å; L375-M390 HydrophobicContact CD1-SD 3.96Å; A378-M390 HydrophobicContact CB-SD 4.28Å; R386-M390 HydrophobicContact CG-CE 3.87Å; R386-M390 HydrophobicContact CG-SD 4.39Å; R386-M390 VanDerWaalsContact O-CG 3.31Å; R386-M390 WeakPolarHBondContact O-CG 3.46Å; R386-M390 PolarHBondContact O-N 2.8Å; V387-M390 PolarHBondContact O-N 2.98Å; L388-M390 PolarHBondContact O-N 3.26Å; M390-M392 VanDerWaalsContact C-N 3.32Å; M390-M392 PolarHBondContact O-N 2.96Å; M390-E393 PolarHBondContact O-N 3.11Å; M390-G394 PolarHBondContact O-N 3.23Å; M390-I395 HydrophobicContact CB-CB 4.3Å; M390-I395 HydrophobicContact CB-CG1 4.16Å; M390-I395 VanDerWaalsContact O-CB 3.3Å; M390-I395 WeakPolarHBondContact O-CB 3.33Å; M390-I395 VanDerWaalsContact O-CG1 3.26Å; M390-I395 WeakPolarHBondContact O-CG1 3.43Å; M390-I395 PolarHBondContact O-N 2.97Å; M390-I395 VanDerWaalsContact O-N 3.1Å
391	L	90	Very high	89.6	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-29.1	-179.1	-61.3	171.9	0	0	0	111.7	M333 L375 V387 L388 G394 P397 M424 L425 A428	M333-L391 HydrophobicContact CE-CB 3.45Å; M333-L391 VanDerWaalsContact CE-CB 3.45Å; M333-L391 HydrophobicContact CE-CD1 4.5Å; L375-L391 HydrophobicContact CD1-CD2 4.15Å; L375-L391 HydrophobicContact CD1-CG 4.35Å; L375-L391 HydrophobicContact CD2-CD2 4Å; V387-L391 HydrophobicContact CG1-CD1 3.67Å; V387-L391 HydrophobicContact CG1-CG 4.29Å; V387-L391 VanDerWaalsContact O-CG 3.28Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 2.66Å; L388-L391 PolarHBondContact O-N 3.37Å; L391-G394 PolarHBondContact O-N 3.21Å; L391-P397 HydrophobicContact CD2-CB 3.99Å; L391-M424 HydrophobicContact CD1-CB 4.15Å; L391-L425 HydrophobicContact CD1-CD2 4.11Å; L391-L425 HydrophobicContact CD2-CD2 4.2Å; L391-A428 HydrophobicContact CB-CB 4.22Å; L391-A428 HydrophobicContact CD1-CB 3.91Å; L391-A428 HydrophobicContact CD2-CB 3.79Å; L391-A428 HydrophobicContact CG-CB 4.18Å
392	M	86.4	Confident	89.2	Confident	45 Å²	45	42.7 Å²	42.7	22%	0.222	22%	0.222	C	C	.	.	H	α-helix	trans	-70.9	-33.4	170.9	-77.5	-163.1	78.8	0	0	114.2	L331 P334 Q360 L388 L389 M390 G394	L331-M392 HydrophobicContact CD1-CE 3.99Å; L331-M392 HydrophobicContact CD1-SD 4.17Å; L331-M392 HydrophobicContact CD2-CE 4.5Å; L331-M392 HydrophobicContact CD2-CG 4.31Å; L331-M392 HydrophobicContact CD2-SD 3.74Å; L331-M392 HydrophobicContact CG-SD 4.4Å; P334-M392 VanDerWaalsContact CG-O 3.23Å; P334-M392 WeakPolarHBondContact CG-O 3.48Å; Q360-M392 HydrophobicContact CG-SD 3.48Å; Q360-M392 WeakPolarHBondContact CG-SD 3.44Å; Q360-M392 PolarHBondContact NE2-SD 2.56Å; L388-M392 WeakPolarHBondContact O-CB 3.36Å; L388-M392 WeakPolarHBondContact O-CG 3.42Å; L388-M392 PolarHBondContact O-N 2.76Å; L389-M392 PolarHBondContact O-N 2.77Å; M390-M392 VanDerWaalsContact C-N 3.32Å; M390-M392 PolarHBondContact O-N 2.96Å; M392-G394 PolarHBondContact O-N 3.26Å
393	E	86.6	Confident	88.8	Confident	103 Å²	103	46 Å²	46	48%	0.481	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	9.5	172.3	-67.1	-74.4	154	0	0	112.4	F370 L389 M390	F370-E393 HydrophobicContact CD2-CB 4.28Å; F370-E393 HydrophobicContact CD2-CG 4.17Å; F370-E393 HydrophobicContact CE2-CG 4.14Å; L389-E393 PolarHBondContact O-N 2.84Å; L389-E393 VanDerWaalsContact O-N 3.09Å; M390-E393 PolarHBondContact O-N 3.11Å
394	G	85.6	Confident	88.3	Confident	53 Å²	53	44.8 Å²	44.8	55%	0.546	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	23.7	173.9	0	0	0	0	0	115	M390 L391 M392 D396	M390-G394 PolarHBondContact O-N 3.23Å; L391-G394 PolarHBondContact O-N 3.21Å; M392-G394 PolarHBondContact O-N 3.26Å; G394-D396 PolarHBondContact O-N 3.5Å
395	I	89.7	Confident	88.1	Confident	22 Å²	22	46.5 Å²	46.5	11%	0.113	25%	0.245	C	C	.	.			trans	-68	123.1	172.5	-60.2	-65.7	0	0	0	109.8	F370 P372 L375 M390 P397	F370-I395 HydrophobicContact CB-CD1 4.09Å; F370-I395 HydrophobicContact CB-CG1 4.08Å; P372-I395 HydrophobicContact CB-CG2 4.23Å; P372-I395 HydrophobicContact CG-CD1 4.31Å; P372-I395 HydrophobicContact CG-CG2 4.43Å; L375-I395 HydrophobicContact CB-CG2 4.31Å; L375-I395 HydrophobicContact CD2-CG2 4.21Å; M390-I395 HydrophobicContact CB-CB 4.3Å; M390-I395 HydrophobicContact CB-CG1 4.16Å; M390-I395 VanDerWaalsContact O-CB 3.3Å; M390-I395 WeakPolarHBondContact O-CB 3.33Å; M390-I395 VanDerWaalsContact O-CG1 3.26Å; M390-I395 WeakPolarHBondContact O-CG1 3.43Å; M390-I395 PolarHBondContact O-N 2.97Å; M390-I395 VanDerWaalsContact O-N 3.1Å; I395-P397 WeakPolarHBondContact O-CD 3.33Å
396	D	89	Confident	88.1	Confident	72 Å²	72	49.8 Å²	49.8	39%	0.385	26%	0.256	S	S	.	.			trans	-58	118.7	178.2	170.9	23.8	0	0	0	112.5	G394 T398	G394-D396 PolarHBondContact O-N 3.5Å; D396-T398 VanDerWaalsContact C-N 3.3Å; D396-T398 VanDerWaalsContact CG-OG1 3.27Å; D396-T398 WeakPolarHBondContact OD1-CA 3.42Å; D396-T398 WeakPolarHBondContact OD1-CB 3.17Å; D396-T398 PolarHBondContact OD1-N 3.35Å; D396-T398 PolarHBondContact OD1-OG1 3.25Å; D396-T398 PolarHBondContact OD2-OG1 3.04Å; D396-T398 VanDerWaalsContact OD2-OG1 3.13Å
397	P	90.4	Very high	88.2	Confident	13 Å²	13	46.5 Å²	46.5	8%	0.084	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.6	177.7	34.5	-37.3	0	0	0	113.9	L375 L391 I395 Y399 L425 A428 A430	L375-P397 HydrophobicContact CD2-CB 4.36Å; L391-P397 HydrophobicContact CD2-CB 3.99Å; I395-P397 WeakPolarHBondContact O-CD 3.33Å; P397-Y399 VanDerWaalsContact C-N 3.34Å; P397-L425 HydrophobicContact CB-CD2 3.96Å; P397-A428 HydrophobicContact CB-CB 4.41Å; P397-A428 HydrophobicContact CG-CB 4.05Å; P397-A430 HydrophobicContact CB-CB 4.09Å; P397-A430 HydrophobicContact CG-CB 4.44Å
398	T	91.4	Very high	88.3	Confident	46 Å²	46	46.6 Å²	46.6	28%	0.282	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6	178.4	73.2	0	0	0	0	113.4	D396 Q400 Q431	D396-T398 VanDerWaalsContact C-N 3.3Å; D396-T398 VanDerWaalsContact CG-OG1 3.27Å; D396-T398 WeakPolarHBondContact OD1-CA 3.42Å; D396-T398 WeakPolarHBondContact OD1-CB 3.17Å; D396-T398 PolarHBondContact OD1-N 3.35Å; D396-T398 PolarHBondContact OD1-OG1 3.25Å; D396-T398 PolarHBondContact OD2-OG1 3.04Å; D396-T398 VanDerWaalsContact OD2-OG1 3.13Å; T398-Q400 PolarHBondContact O-N 3.38Å; T398-Q431 HydrophobicContact CG2-CG 4.07Å
399	Y	89.5	Confident	88.5	Confident	72 Å²	72	46.8 Å²	46.8	28%	0.282	25%	0.246	S	C	.	.			trans	-55.6	116.3	-178	-176	-104.5	0	0	0	113.5	P372 R373 P397 P401	P372-Y399 HydrophobicContact CB-CD1 4.03Å; P372-Y399 HydrophobicContact CB-CD2 4.18Å; P372-Y399 HydrophobicContact CB-CE1 4.29Å; P372-Y399 HydrophobicContact CB-CE2 4.44Å; P372-Y399 HydrophobicContact CB-CG 3.98Å; R373-Y399 HydrophobicContact CB-CE1 4.37Å; R373-Y399 HydrophobicContact CG-CE1 3.62Å; R373-Y399 WeakPolarHBondContact CG-OH 3.35Å; R373-Y399 PolarHBondContact NE-OH 3.22Å; P397-Y399 VanDerWaalsContact C-N 3.34Å; Y399-P401 HydrophobicContact CD1-CG 4.25Å; Y399-P401 HydrophobicContact CE1-CB 3.77Å; Y399-P401 HydrophobicContact CE1-CG 3.72Å
400	Q	88.7	Confident	88.9	Confident	38 Å²	38	46 Å²	46	18%	0.178	24%	0.241	C	C	.	.			trans	-118.5	94.2	179.4	-70.6	-169.2	-50.6	0	0	111.4	T398 R406 K435	T398-Q400 PolarHBondContact O-N 3.38Å; Q400-R406 HydrophobicContact CB-CB 4.28Å; Q400-R406 WeakPolarHBondContact CB-O 3.45Å; Q400-R406 WeakPolarHBondContact CG-O 3.33Å; Q400-R406 PolarHBondContact NE2-O 3Å; Q400-K435 PolarHBondContact NE2-O 2.93Å
401	P	83.9	Confident	89.2	Confident	2 Å²	2	46 Å²	46	1%	0.013	24%	0.241	C	C	.	.			trans	-81.4	138.1	179.7	30	-30.8	0	0	0	112.7	Y399 S403 Q404 R406	Y399-P401 HydrophobicContact CD1-CG 4.25Å; Y399-P401 HydrophobicContact CE1-CB 3.77Å; Y399-P401 HydrophobicContact CE1-CG 3.72Å; P401-S403 PolarHBondContact O-N 2.91Å; P401-Q404 HydrophobicContact CG-CB 4.04Å; P401-Q404 HydrophobicContact CG-CG 4.06Å; P401-Q404 VanDerWaalsContact CG-OE1 3.23Å; P401-Q404 PolarHBondContact O-N 3.22Å; P401-R406 WeakPolarHBondContact O-CA 3.26Å; P401-R406 PolarHBondContact O-N 3.41Å; P401-R406 VanDerWaalsContact O-N 3.13Å
402	E	84.3	Confident	89.4	Confident	150 Å²	150	45.7 Å²	45.7	70%	0.701	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-57.2	-37.1	177.3	-65.6	66.7	-146.6	0	0	111.4	Q404 N405	E402-Q404 PolarHBondContact O-N 2.87Å; E402-N405 PolarHBondContact O-N 3.01Å; E402-N405 VanDerWaalsContact O-N 3.1Å
403	S	83.8	Confident	89.9	Confident	93 Å²	93	43.6 Å²	43.6	65%	0.65	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.6	-2.6	177.5	65.6	0	0	0	0	114.8	P401	P401-S403 PolarHBondContact O-N 2.91Å
404	Q	84.1	Confident	90.4	Very high	54 Å²	54	38.7 Å²	38.7	25%	0.252	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-128.4	34.5	174	-58.7	175.3	-30.1	0	0	110.6	Y376 P401 E402 R406 R407	Y376-Q404 VanDerWaalsContact CG-OE1 3.3Å; P401-Q404 HydrophobicContact CG-CB 4.04Å; P401-Q404 HydrophobicContact CG-CG 4.06Å; P401-Q404 VanDerWaalsContact CG-OE1 3.23Å; P401-Q404 PolarHBondContact O-N 3.22Å; E402-Q404 PolarHBondContact O-N 2.87Å; Q404-R406 PolarHBondContact O-N 3.01Å; Q404-R407 VanDerWaalsContact O-CB 3.31Å; Q404-R407 WeakPolarHBondContact O-CB 3.22Å; Q404-R407 VanDerWaalsContact O-CG 3.28Å; Q404-R407 WeakPolarHBondContact O-CG 3.44Å; Q404-R407 PolarHBondContact O-N 3.4Å
405	N	88	Confident	90.9	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	30.9	179.6	-145.6	46	0	0	0	113.3	E402 R407 D436 K437 D438	E402-N405 PolarHBondContact O-N 3.01Å; E402-N405 VanDerWaalsContact O-N 3.1Å; N405-R407 HydrophobicContact CB-CG 4.39Å; N405-R407 PolarHBondContact O-N 2.92Å; N405-D436 WeakPolarHBondContact O-CB 3.43Å; N405-K437 HydrophobicContact CB-CB 4.47Å; N405-K437 WeakPolarHBondContact O-CB 3.46Å; N405-K437 PolarHBondContact O-N 3.18Å; N405-K437 WeakPolarHBondContact OD1-CB 3.35Å; N405-K437 WeakPolarHBondContact OD1-CD 3.48Å; N405-D438 PolarHBondContact ND2-OD1 3.06Å; N405-D438 PolarHBondContact ND2-OD2 2.88Å
406	R	89.8	Confident	91.2	Very high	113 Å²	113	43 Å²	43	43%	0.426	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	17.6	-171.5	-61.5	-177.2	60.2	-152.4	-11	115.2	Q400 P401 Q404 S408	Q400-R406 HydrophobicContact CB-CB 4.28Å; Q400-R406 WeakPolarHBondContact CB-O 3.45Å; Q400-R406 WeakPolarHBondContact CG-O 3.33Å; Q400-R406 PolarHBondContact NE2-O 3Å; P401-R406 WeakPolarHBondContact O-CA 3.26Å; P401-R406 PolarHBondContact O-N 3.41Å; P401-R406 VanDerWaalsContact O-N 3.13Å; Q404-R406 PolarHBondContact O-N 3.01Å; R406-S408 PolarHBondContact O-N 3.13Å
407	R	91.8	Very high	91.5	Very high	26 Å²	26	40.8 Å²	40.8	10%	0.098	20%	0.2	C	C	.	.			trans	-71.2	128.2	178.9	-62.3	178.9	106.2	-130.8	11.3	111.1	Y376 Q404 N405 H411 Q415 D436 E445	Y376-R407 HydrophobicContact CE2-CB 3.62Å; Y376-R407 PolarHBondContact OH-NH1 2.81Å; Q404-R407 VanDerWaalsContact O-CB 3.31Å; Q404-R407 WeakPolarHBondContact O-CB 3.22Å; Q404-R407 VanDerWaalsContact O-CG 3.28Å; Q404-R407 WeakPolarHBondContact O-CG 3.44Å; Q404-R407 PolarHBondContact O-N 3.4Å; N405-R407 HydrophobicContact CB-CG 4.39Å; N405-R407 PolarHBondContact O-N 2.92Å; R407-H411 HydrophobicContact CB-CB 4.27Å; R407-Q415 VanDerWaalsContact NH1-OE1 3.08Å; R407-D436 HydrophobicContact CB-CB 4.36Å; R407-D436 HydrophobicContact CG-CB 3.51Å; R407-D436 VanDerWaalsContact CG-OD2 3.23Å; R407-D436 WeakPolarHBondContact CG-OD2 3.5Å; R407-D436 IonicContact NE-OD2 2.88Å; R407-D436 PolarHBondContact NE-OD2 2.84Å; R407-E445 IonicContact CZ-OE1 3.88Å; R407-E445 IonicContact NH2-OE1 2.64Å; R407-E445 PolarHBondContact NH2-OE1 3.26Å; R407-E445 IonicContact NH2-OE2 3.06Å; R407-E445 PolarHBondContact NH2-OE2 2.94Å
408	S	93.7	Very high	91.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	21%	0.205	C	C	.	.			trans	-81	166.6	173.9	75.1	0	0	0	0	111.4	Y376 R406 L410 H411 A412	Y376-S408 WeakPolarHBondContact CD2-O 3.5Å; R406-S408 PolarHBondContact O-N 3.13Å; S408-L410 PolarHBondContact O-N 3.05Å; S408-L410 PolarHBondContact OG-N 2.7Å; S408-H411 PolarHBondContact N-ND1 2.82Å; S408-H411 WeakPolarHBondContact O-CB 3.37Å; S408-H411 PolarHBondContact O-N 3.37Å; S408-H411 VanDerWaalsContact O-N 3.13Å; S408-H411 PolarHBondContact OG-ND1 3.01Å; S408-A412 PolarHBondContact O-N 3.32Å
409	A	94.4	Very high	92	Very high	4 Å²	4	40 Å²	40	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-28.8	175.1	0	0	0	0	0	113	L375 A379 A412 A413 L425	L375-A409 HydrophobicContact CD2-CB 4.03Å; L375-A409 HydrophobicContact CG-CB 3.83Å; A379-A409 HydrophobicContact CB-CB 4Å; A409-A412 PolarHBondContact O-N 3.43Å; A409-A413 PolarHBondContact O-N 3.23Å; A409-A413 VanDerWaalsContact O-N 3.07Å; A409-L425 HydrophobicContact CB-CD1 4Å; A409-L425 HydrophobicContact CB-CD2 3.99Å
410	L	96.4	Very high	92.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-35.1	178.4	-170.8	60.4	0	0	0	112.3	S408 A412 A413 A414 C422 L425 I426 A430 P442 L458	S408-L410 PolarHBondContact O-N 3.05Å; S408-L410 PolarHBondContact OG-N 2.7Å; L410-A412 VanDerWaalsContact C-N 3.32Å; L410-A412 PolarHBondContact O-N 3.26Å; L410-A413 PolarHBondContact O-N 3.06Å; L410-A414 VanDerWaalsContact O-CB 3.28Å; L410-A414 WeakPolarHBondContact O-CB 3.34Å; L410-A414 PolarHBondContact O-N 3.37Å; L410-C422 HydrophobicContact CD1-CB 3.96Å; L410-L425 HydrophobicContact CB-CD1 4.32Å; L410-L425 HydrophobicContact CD1-CB 4.15Å; L410-L425 HydrophobicContact CD1-CD1 4.26Å; L410-I426 HydrophobicContact CD1-CD1 4.34Å; L410-I426 HydrophobicContact CD1-CG1 4.29Å; L410-I426 HydrophobicContact CD2-CD1 4.11Å; L410-I426 HydrophobicContact CD2-CG1 3.98Å; L410-A430 HydrophobicContact CB-CB 4.46Å; L410-A430 HydrophobicContact CD2-CB 4.08Å; L410-P442 HydrophobicContact CB-CG 4.14Å; L410-P442 HydrophobicContact CD2-CB 4.16Å; L410-P442 HydrophobicContact CD2-CG 3.96Å; L410-P442 HydrophobicContact CG-CB 3.83Å; L410-P442 HydrophobicContact CG-CG 3.86Å; L410-L458 HydrophobicContact CD2-CD2 4.43Å
411	H	95.3	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-43.1	172.1	-66	71.6	0	0	0	111.1	R407 S408 A414 Q415 A434 D436 R440	R407-H411 HydrophobicContact CB-CB 4.27Å; S408-H411 PolarHBondContact N-ND1 2.82Å; S408-H411 WeakPolarHBondContact O-CB 3.37Å; S408-H411 PolarHBondContact O-N 3.37Å; S408-H411 VanDerWaalsContact O-N 3.13Å; S408-H411 PolarHBondContact OG-ND1 3.01Å; H411-A414 PolarHBondContact O-N 3.34Å; H411-Q415 WeakPolarHBondContact O-CB 3.5Å; H411-Q415 PolarHBondContact O-N 2.8Å; H411-A434 PolarHBondContact CE1-O 3.44Å; H411-A434 PolarHBondContact NE2-O 3.39Å; H411-D436 IonicContact CD2-OD2 2.67Å; H411-D436 PolarHBondContact NE2-N 3.5Å; H411-R440 PolarHBondContact NE2-O 2.91Å; H411-R440 VanDerWaalsContact NE2-O 3.11Å
412	A	94.6	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-36.3	-179	0	0	0	0	0	113.1	Y376 K380 S408 A409 L410 R416	Y376-A412 HydrophobicContact CD2-CB 3.89Å; Y376-A412 HydrophobicContact CE2-CB 3.63Å; Y376-A412 HydrophobicContact CG-CB 4.48Å; K380-A412 HydrophobicContact CB-CB 3.86Å; K380-A412 HydrophobicContact CG-CB 4.29Å; S408-A412 PolarHBondContact O-N 3.32Å; A409-A412 PolarHBondContact O-N 3.43Å; L410-A412 VanDerWaalsContact C-N 3.32Å; L410-A412 PolarHBondContact O-N 3.26Å; A412-R416 WeakPolarHBondContact O-CB 3.49Å; A412-R416 WeakPolarHBondContact O-CG 3.28Å
413	A	96.4	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-43.3	173.5	0	0	0	0	0	111.4	A409 L410 R416 G417 L418 V421 C422 L425	A409-A413 PolarHBondContact O-N 3.23Å; A409-A413 VanDerWaalsContact O-N 3.07Å; L410-A413 PolarHBondContact O-N 3.06Å; A413-R416 CarbonylContact O-C 3.48Å; A413-R416 PolarHBondContact O-N 3.29Å; A413-R416 VanDerWaalsContact O-N 3.16Å; A413-G417 PolarHBondContact O-N 2.81Å; A413-G417 VanDerWaalsContact O-N 3.16Å; A413-L418 HydrophobicContact CB-CB 4.41Å; A413-L418 PolarHBondContact O-N 3.38Å; A413-L418 VanDerWaalsContact O-N 3.07Å; A413-V421 HydrophobicContact CB-CB 4.01Å; A413-V421 HydrophobicContact CB-CG1 3.64Å; A413-C422 VanDerWaalsContact CB-SG 3.5Å; A413-L425 HydrophobicContact CB-CD1 4.17Å
414	A	97.1	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.1	-46.2	-179.9	0	0	0	0	0	113.1	L410 H411 R416 G417 P442 E445 A446 H451 V454 L458	L410-A414 VanDerWaalsContact O-CB 3.28Å; L410-A414 WeakPolarHBondContact O-CB 3.34Å; L410-A414 PolarHBondContact O-N 3.37Å; H411-A414 PolarHBondContact O-N 3.34Å; A414-R416 PolarHBondContact O-N 3.28Å; A414-G417 PolarHBondContact O-N 2.97Å; A414-G417 VanDerWaalsContact O-N 3.13Å; A414-P442 HydrophobicContact CB-CB 4.13Å; A414-P442 WeakPolarHBondContact CB-O 3.44Å; A414-E445 HydrophobicContact CB-CB 4.3Å; A414-A446 HydrophobicContact CB-CB 4.28Å; A414-H451 PolarHBondContact O-CD2 3.16Å; A414-V454 HydrophobicContact CB-CG1 4.19Å; A414-L458 HydrophobicContact CB-CD1 4.36Å
415	Q	95.9	Very high	94.6	Very high	37 Å²	37	21.5 Å²	21.5	17%	0.173	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.8	171.7	-179.5	168.8	77	0	0	114	R407 H411 E445 H451	R407-Q415 VanDerWaalsContact NH1-OE1 3.08Å; H411-Q415 WeakPolarHBondContact O-CB 3.5Å; H411-Q415 PolarHBondContact O-N 2.8Å; Q415-E445 HydrophobicContact CB-CB 4.45Å; Q415-E445 WeakPolarHBondContact CB-OE2 3.39Å; Q415-E445 WeakPolarHBondContact CG-OE2 3.32Å; Q415-E445 PolarHBondContact NE2-OE2 3.19Å; Q415-H451 PolarHBondContact O-NE2 2.82Å
416	R	96.1	Very high	94.9	Very high	129 Å²	129	19.5 Å²	19.5	49%	0.487	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-1.3	-177.1	-65.7	-73.5	76.3	-164.1	-3.2	114.2	K380 A412 A413 A414 L418	K380-R416 HydrophobicContact CG-CG 4.37Å; A412-R416 WeakPolarHBondContact O-CB 3.49Å; A412-R416 WeakPolarHBondContact O-CG 3.28Å; A413-R416 CarbonylContact O-C 3.48Å; A413-R416 PolarHBondContact O-N 3.29Å; A413-R416 VanDerWaalsContact O-N 3.16Å; A414-R416 PolarHBondContact O-N 3.28Å; R416-L418 VanDerWaalsContact C-N 3.25Å; R416-L418 HydrophobicContact CB-CD1 3.56Å; R416-L418 HydrophobicContact CB-CG 3.71Å; R416-L418 HydrophobicContact CG-CD1 4.33Å; R416-L418 PolarHBondContact O-N 3.33Å
417	G	95.5	Very high	95	Very high	25 Å²	25	15.8 Å²	15.8	26%	0.258	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	17.7	-179.5	0	0	0	0	0	114.3	A413 A414 L419 H451	A413-G417 PolarHBondContact O-N 2.81Å; A413-G417 VanDerWaalsContact O-N 3.16Å; A414-G417 PolarHBondContact O-N 2.97Å; A414-G417 VanDerWaalsContact O-N 3.13Å; G417-L419 VanDerWaalsContact C-N 3.34Å; G417-L419 PolarHBondContact O-N 2.89Å; G417-H451 VanDerWaalsContact CA-ND1 3.32Å; G417-H451 WeakPolarHBondContact CA-ND1 3.34Å; G417-H451 PolarHBondContact N-CD2 3.36Å; G417-H451 PolarHBondContact N-NE2 2.92Å
418	L	96.3	Very high	95	Very high	33 Å²	33	15.4 Å²	15.4	17%	0.173	8%	0.078	C	C	.	.			trans	-83.8	76.2	-170.5	-64.1	168.2	0	0	0	110.9	A379 A413 R416 E420 V421 C422	A379-L418 WeakPolarHBondContact O-CD1 3.45Å; A413-L418 HydrophobicContact CB-CB 4.41Å; A413-L418 PolarHBondContact O-N 3.38Å; A413-L418 VanDerWaalsContact O-N 3.07Å; R416-L418 VanDerWaalsContact C-N 3.25Å; R416-L418 HydrophobicContact CB-CD1 3.56Å; R416-L418 HydrophobicContact CB-CG 3.71Å; R416-L418 HydrophobicContact CG-CD1 4.33Å; R416-L418 PolarHBondContact O-N 3.33Å; L418-E420 VanDerWaalsContact C-N 3.35Å; L418-E420 PolarHBondContact O-N 3.39Å; L418-V421 HydrophobicContact CB-CB 3.89Å; L418-V421 HydrophobicContact CB-CG2 3.93Å; L418-V421 PolarHBondContact O-N 3.17Å; L418-V421 VanDerWaalsContact O-N 3.08Å; L418-C422 PolarHBondContact O-N 2.96Å; L418-C422 PolarHBondContact O-SG 2.92Å
419	L	95.6	Very high	94.9	Very high	10 Å²	10	17 Å²	17	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-54	-46	-174.7	179.3	63.8	0	0	0	113	L344 P345 G417 V421 C422 Y423 D453 V454 Y457	L344-L419 HydrophobicContact CD2-CD2 4.24Å; L344-L419 HydrophobicContact CD2-CG 4.04Å; P345-L419 HydrophobicContact CG-CD2 4.05Å; G417-L419 VanDerWaalsContact C-N 3.34Å; G417-L419 PolarHBondContact O-N 2.89Å; L419-V421 VanDerWaalsContact C-N 3.31Å; L419-V421 PolarHBondContact O-N 2.91Å; L419-C422 PolarHBondContact O-N 3.44Å; L419-Y423 WeakPolarHBondContact O-CB 3.35Å; L419-Y423 PolarHBondContact O-N 3.04Å; L419-D453 HydrophobicContact CD2-CB 4.25Å; L419-V454 HydrophobicContact CB-CG2 4.17Å; L419-V454 HydrophobicContact CD1-CG2 4.48Å; L419-Y457 HydrophobicContact CD1-CD1 4.17Å; L419-Y457 HydrophobicContact CD1-CD2 4.5Å; L419-Y457 HydrophobicContact CD1-CG 3.81Å
420	E	94.3	Very high	94.8	Very high	14 Å²	14	17.2 Å²	17.2	7%	0.065	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-32	178.9	68	-63.3	149.8	0	0	113.1	L344 S349 A352 L353 V384 L418 M424	L344-E420 HydrophobicContact CD1-CB 3.82Å; S349-E420 WeakPolarHBondContact CA-OE2 3.42Å; S349-E420 WeakPolarHBondContact CB-OE2 3.2Å; S349-E420 PolarHBondContact OG-OE2 3.36Å; A352-E420 HydrophobicContact CB-CG 4.44Å; L353-E420 HydrophobicContact CB-CB 4.29Å; V384-E420 HydrophobicContact CG1-CG 4.1Å; V384-E420 HydrophobicContact CG2-CG 3.65Å; L418-E420 VanDerWaalsContact C-N 3.35Å; L418-E420 PolarHBondContact O-N 3.39Å; E420-M424 WeakPolarHBondContact O-CG 3.5Å; E420-M424 PolarHBondContact O-N 2.92Å; E420-M424 VanDerWaalsContact O-N 3.07Å
421	V	95.5	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-72.9	-41.6	174.2	-178.4	0	0	0	0	110.6	A379 V384 V387 A413 L418 L419 Y423 M424 L425	A379-V421 HydrophobicContact CB-CG1 3.85Å; V384-V421 HydrophobicContact CG2-CG2 4.29Å; V387-V421 HydrophobicContact CG1-CG1 4.33Å; V387-V421 HydrophobicContact CG2-CG1 4.36Å; A413-V421 HydrophobicContact CB-CB 4.01Å; A413-V421 HydrophobicContact CB-CG1 3.64Å; L418-V421 HydrophobicContact CB-CB 3.89Å; L418-V421 HydrophobicContact CB-CG2 3.93Å; L418-V421 PolarHBondContact O-N 3.17Å; L418-V421 VanDerWaalsContact O-N 3.08Å; L419-V421 VanDerWaalsContact C-N 3.31Å; L419-V421 PolarHBondContact O-N 2.91Å; V421-Y423 VanDerWaalsContact C-N 3.34Å; V421-Y423 PolarHBondContact O-N 2.97Å; V421-M424 HydrophobicContact CG2-CE 4.31Å; V421-M424 PolarHBondContact O-N 2.83Å; V421-L425 HydrophobicContact CG1-CD1 3.93Å; V421-L425 HydrophobicContact CG1-CG 4.47Å; V421-L425 WeakPolarHBondContact O-CB 3.34Å; V421-L425 VanDerWaalsContact O-CG 3.27Å; V421-L425 WeakPolarHBondContact O-CG 3.41Å; V421-L425 PolarHBondContact O-N 3.3Å
422	C	96.4	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-43.2	174.3	-61.7	0	0	0	0	111.6	L410 A413 L418 L419 L425 I426 V454 Y457	L410-C422 HydrophobicContact CD1-CB 3.96Å; A413-C422 VanDerWaalsContact CB-SG 3.5Å; L418-C422 PolarHBondContact O-N 2.96Å; L418-C422 PolarHBondContact O-SG 2.92Å; L419-C422 PolarHBondContact O-N 3.44Å; C422-L425 PolarHBondContact O-N 3.27Å; C422-I426 PolarHBondContact O-N 2.8Å; C422-V454 HydrophobicContact CB-CG1 4.41Å; C422-Y457 HydrophobicContact CB-CD1 4.4Å
423	Y	94.9	Very high	94.7	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-54.3	174.8	173.2	-100.6	0	0	0	111.8	V339 S340 A343 L344 L353 L419 V421 L425 I426 Q427 Y457	V339-Y423 HydrophobicContact CB-CE1 4.33Å; V339-Y423 HydrophobicContact CG1-CD1 4.46Å; V339-Y423 HydrophobicContact CG1-CE1 3.81Å; V339-Y423 HydrophobicContact CG2-CE1 4.5Å; S340-Y423 PolarHBondContact N-OH 2.89Å; S340-Y423 PolarHBondContact O-OH 3.02Å; A343-Y423 HydrophobicContact CB-CE2 3.67Å; A343-Y423 WeakPolarHBondContact CB-OH 3.46Å; L344-Y423 HydrophobicContact CD2-CD2 4.19Å; L344-Y423 HydrophobicContact CD2-CG 3.97Å; L344-Y423 HydrophobicContact CG-CD1 4.48Å; L344-Y423 HydrophobicContact CG-CG 4.39Å; L353-Y423 HydrophobicContact CD2-CD1 3.67Å; L353-Y423 HydrophobicContact CD2-CE1 3.7Å; L419-Y423 WeakPolarHBondContact O-CB 3.35Å; L419-Y423 PolarHBondContact O-N 3.04Å; V421-Y423 VanDerWaalsContact C-N 3.34Å; V421-Y423 PolarHBondContact O-N 2.97Å; Y423-L425 VanDerWaalsContact C-N 3.31Å; Y423-L425 PolarHBondContact O-N 2.69Å; Y423-I426 PolarHBondContact O-N 3.1Å; Y423-Q427 HydrophobicContact CD2-CG 4.21Å; Y423-Q427 HydrophobicContact CE1-CG 4.22Å; Y423-Q427 HydrophobicContact CE2-CG 3.81Å; Y423-Q427 WeakPolarHBondContact O-CG 3.32Å; Y423-Q427 PolarHBondContact O-N 2.76Å; Y423-Y457 AromaticContact CD2-CE2 3.91Å; Y423-Y457 HydrophobicContact CD2-CE2 3.91Å; Y423-Y457 AromaticContact CD2-CZ 3.75Å; Y423-Y457 WeakPolarHBondContact CD2-OH 3.44Å
424	M	93.9	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-40.4	178.3	-72.4	-174.6	-59.5	0	0	112.8	V339 L353 V384 V387 L388 L391 E420 V421 Q427 A428	V339-M424 HydrophobicContact CG1-CG 4.31Å; L353-M424 HydrophobicContact CD1-CG 3.82Å; L353-M424 HydrophobicContact CD1-SD 3.66Å; V384-M424 HydrophobicContact CB-CE 4.34Å; V384-M424 HydrophobicContact CG1-CE 3.6Å; V384-M424 HydrophobicContact CG1-SD 4.14Å; V387-M424 HydrophobicContact CB-CE 4.05Å; V387-M424 HydrophobicContact CG1-CE 3.88Å; L388-M424 HydrophobicContact CB-SD 3.91Å; L388-M424 HydrophobicContact CD1-SD 3.85Å; L388-M424 HydrophobicContact CG-SD 4.4Å; L391-M424 HydrophobicContact CD1-CB 4.15Å; E420-M424 WeakPolarHBondContact O-CG 3.5Å; E420-M424 PolarHBondContact O-N 2.92Å; E420-M424 VanDerWaalsContact O-N 3.07Å; V421-M424 HydrophobicContact CG2-CE 4.31Å; V421-M424 PolarHBondContact O-N 2.83Å; M424-Q427 PolarHBondContact O-N 2.73Å; M424-A428 WeakPolarHBondContact O-CB 3.36Å; M424-A428 PolarHBondContact O-N 3.46Å
425	L	94.8	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-43.6	179.5	-74.2	169.1	0	0	0	112.1	L375 A379 L391 P397 A409 L410 A413 V421 C422 Y423 A428 G429 A430	L375-L425 HydrophobicContact CD2-CD2 4.12Å; L375-L425 HydrophobicContact CG-CD2 4.48Å; A379-L425 HydrophobicContact CB-CD1 4.41Å; L391-L425 HydrophobicContact CD1-CD2 4.11Å; L391-L425 HydrophobicContact CD2-CD2 4.2Å; P397-L425 HydrophobicContact CB-CD2 3.96Å; A409-L425 HydrophobicContact CB-CD1 4Å; A409-L425 HydrophobicContact CB-CD2 3.99Å; L410-L425 HydrophobicContact CB-CD1 4.32Å; L410-L425 HydrophobicContact CD1-CB 4.15Å; L410-L425 HydrophobicContact CD1-CD1 4.26Å; A413-L425 HydrophobicContact CB-CD1 4.17Å; V421-L425 HydrophobicContact CG1-CD1 3.93Å; V421-L425 HydrophobicContact CG1-CG 4.47Å; V421-L425 WeakPolarHBondContact O-CB 3.34Å; V421-L425 VanDerWaalsContact O-CG 3.27Å; V421-L425 WeakPolarHBondContact O-CG 3.41Å; V421-L425 PolarHBondContact O-N 3.3Å; C422-L425 PolarHBondContact O-N 3.27Å; Y423-L425 VanDerWaalsContact C-N 3.31Å; Y423-L425 PolarHBondContact O-N 2.69Å; L425-A428 PolarHBondContact O-N 2.66Å; L425-G429 PolarHBondContact O-N 3.49Å; L425-G429 VanDerWaalsContact O-N 3.12Å; L425-A430 HydrophobicContact CB-CB 4.06Å; L425-A430 WeakPolarHBondContact O-CB 3.01Å; L425-A430 PolarHBondContact O-N 3.45Å
426	I	94.4	Very high	94.1	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-69.4	-37.7	177.3	-73.9	173.1	0	0	0	111.4	L410 C422 Y423 A428 G429 V432 Y457 L458 N461	L410-I426 HydrophobicContact CD1-CD1 4.34Å; L410-I426 HydrophobicContact CD1-CG1 4.29Å; L410-I426 HydrophobicContact CD2-CD1 4.11Å; L410-I426 HydrophobicContact CD2-CG1 3.98Å; C422-I426 PolarHBondContact O-N 2.8Å; Y423-I426 PolarHBondContact O-N 3.1Å; I426-A428 VanDerWaalsContact C-N 3.3Å; I426-A428 PolarHBondContact O-N 3.07Å; I426-G429 PolarHBondContact O-N 3.33Å; I426-V432 HydrophobicContact CD1-CG1 4.5Å; I426-V432 HydrophobicContact CD1-CG2 4.02Å; I426-V432 HydrophobicContact CG1-CG2 4.22Å; I426-Y457 HydrophobicContact CD1-CE1 3.9Å; I426-L458 HydrophobicContact CD1-CD2 3.57Å; I426-N461 HydrophobicContact CD1-CB 4.42Å; I426-N461 HydrophobicContact CG2-CB 4.39Å
427	Q	92.1	Very high	93.8	Very high	34 Å²	34	29.9 Å²	29.9	16%	0.159	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-29.1	171.5	-62.3	-48.5	-30.3	0	0	112.7	N335 K337 V339 Y423 M424 G429	N335-Q427 PolarHBondContact ND2-O 3.22Å; K337-Q427 WeakPolarHBondContact CD-O 3.45Å; V339-Q427 HydrophobicContact CG2-CB 3.75Å; V339-Q427 HydrophobicContact CG2-CG 4.25Å; Y423-Q427 HydrophobicContact CD2-CG 4.21Å; Y423-Q427 HydrophobicContact CE1-CG 4.22Å; Y423-Q427 HydrophobicContact CE2-CG 3.81Å; Y423-Q427 WeakPolarHBondContact O-CG 3.32Å; Y423-Q427 PolarHBondContact O-N 2.76Å; M424-Q427 PolarHBondContact O-N 2.73Å; Q427-G429 VanDerWaalsContact C-N 3.27Å; Q427-G429 PolarHBondContact O-N 3.36Å
428	A	91.1	Very high	93.5	Very high	18 Å²	18	31.5 Å²	31.5	15%	0.149	17%	0.165	C	C	.	.	H	α-helix	trans	-74.3	-13.6	170.4	0	0	0	0	0	113.9	M333 N335 L391 P397 M424 L425 I426	M333-A428 HydrophobicContact CE-CB 4.28Å; N335-A428 WeakPolarHBondContact ND2-CA 3.37Å; N335-A428 PolarHBondContact ND2-O 2.82Å; L391-A428 HydrophobicContact CB-CB 4.22Å; L391-A428 HydrophobicContact CD1-CB 3.91Å; L391-A428 HydrophobicContact CD2-CB 3.79Å; L391-A428 HydrophobicContact CG-CB 4.18Å; P397-A428 HydrophobicContact CB-CB 4.41Å; P397-A428 HydrophobicContact CG-CB 4.05Å; M424-A428 WeakPolarHBondContact O-CB 3.36Å; M424-A428 PolarHBondContact O-N 3.46Å; L425-A428 PolarHBondContact O-N 2.66Å; I426-A428 VanDerWaalsContact C-N 3.3Å; I426-A428 PolarHBondContact O-N 3.07Å
429	G	91.1	Very high	93.1	Very high	35 Å²	35	33.6 Å²	33.6	36%	0.361	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	24.1	178.5	0	0	0	0	0	115.1	L425 I426 Q427	L425-G429 PolarHBondContact O-N 3.49Å; L425-G429 VanDerWaalsContact O-N 3.12Å; I426-G429 PolarHBondContact O-N 3.33Å; Q427-G429 VanDerWaalsContact C-N 3.27Å; Q427-G429 PolarHBondContact O-N 3.36Å
430	A	94	Very high	92.9	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	19%	0.185	C	C	.	.			trans	-56.1	137.6	167.8	0	0	0	0	0	111	P397 L410 L425 V432	P397-A430 HydrophobicContact CB-CB 4.09Å; P397-A430 HydrophobicContact CG-CB 4.44Å; L410-A430 HydrophobicContact CB-CB 4.46Å; L410-A430 HydrophobicContact CD2-CB 4.08Å; L425-A430 HydrophobicContact CB-CB 4.06Å; L425-A430 WeakPolarHBondContact O-CB 3.01Å; L425-A430 PolarHBondContact O-N 3.45Å; A430-V432 PolarHBondContact O-N 3Å
431	Q	94	Very high	92.9	Very high	117 Å²	117	35.5 Å²	35.5	55%	0.547	18%	0.182	S	C	.	.			trans	-68.8	120.4	169.9	-70	175.5	9.1	0	0	109.2	T398 A434	T398-Q431 HydrophobicContact CG2-CG 4.07Å; Q431-A434 HydrophobicContact CB-CB 4.05Å; Q431-A434 WeakPolarHBondContact O-CB 3.25Å; Q431-A434 PolarHBondContact O-N 3.15Å
432	V	95.1	Very high	92.9	Very high	26 Å²	26	35.5 Å²	35.5	16%	0.158	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-45.5	-176.4	-174	0	0	0	0	110.8	I426 A430 A434 P442 L458 A463	I426-V432 HydrophobicContact CD1-CG1 4.5Å; I426-V432 HydrophobicContact CD1-CG2 4.02Å; I426-V432 HydrophobicContact CG1-CG2 4.22Å; A430-V432 PolarHBondContact O-N 3Å; V432-A434 PolarHBondContact O-N 3.3Å; V432-P442 VanDerWaalsContact O-CD 3.32Å; V432-P442 WeakPolarHBondContact O-CD 3.41Å; V432-P442 WeakPolarHBondContact O-CG 3.31Å; V432-L458 HydrophobicContact CG1-CD2 4.14Å; V432-A463 HydrophobicContact CG1-CB 3.56Å
433	D	94.6	Very high	93	Very high	58 Å²	58	35.8 Å²	35.8	31%	0.31	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	32.1	177.2	-61.9	-44.5	0	0	0	113.3	K435 T441 C464	D433-K435 PolarHBondContact O-N 2.91Å; D433-T441 HydrophobicContact CB-CG2 4.48Å; D433-C464 VanDerWaalsContact CG-N 3.32Å; D433-C464 WeakPolarHBondContact OD1-CB 3.48Å; D433-C464 PolarHBondContact OD1-N 3.17Å; D433-C464 WeakPolarHBondContact OD2-CB 3.02Å; D433-C464 PolarHBondContact OD2-N 3.48Å; D433-C464 VanDerWaalsContact OD2-N 3.14Å
434	A	93.3	Very high	93	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.041	18%	0.184	C	C	.	.			trans	-55.1	129.8	167	0	0	0	0	0	109.2	H411 Q431 V432 P442	H411-A434 PolarHBondContact CE1-O 3.44Å; H411-A434 PolarHBondContact NE2-O 3.39Å; Q431-A434 HydrophobicContact CB-CB 4.05Å; Q431-A434 WeakPolarHBondContact O-CB 3.25Å; Q431-A434 PolarHBondContact O-N 3.15Å; V432-A434 PolarHBondContact O-N 3.3Å; A434-P442 VanDerWaalsContact O-CD 3.24Å; A434-P442 WeakPolarHBondContact O-CD 3.42Å
435	K	92.9	Very high	93	Very high	84 Å²	84	36.1 Å²	36.1	37%	0.365	19%	0.186	S	C	.	.			trans	-102.6	132.2	178.2	-66.8	-171.1	172.9	-174.9	0	111.7	Q400 D433 L439 R440 T441 H467	Q400-K435 PolarHBondContact NE2-O 2.93Å; D433-K435 PolarHBondContact O-N 2.91Å; K435-L439 VanDerWaalsContact CD-O 3.32Å; K435-L439 WeakPolarHBondContact CD-O 3.28Å; K435-L439 VanDerWaalsContact CG-O 3.27Å; K435-L439 WeakPolarHBondContact CG-O 3.38Å; K435-R440 WeakPolarHBondContact CA-O 3.5Å; K435-T441 HydrophobicContact CG-CG2 4.08Å; K435-H467 PolarHBondContact NZ-CE1 2.96Å; K435-H467 PolarHBondContact NZ-ND1 2.92Å
436	D	91.1	Very high	93.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	19%	0.186	C	C	.	.			trans	-77.1	-175.8	168.5	82.9	14	0	0	0	111.9	N405 R407 H411 D438 L439 R440	N405-D436 WeakPolarHBondContact O-CB 3.43Å; R407-D436 HydrophobicContact CB-CB 4.36Å; R407-D436 HydrophobicContact CG-CB 3.51Å; R407-D436 VanDerWaalsContact CG-OD2 3.23Å; R407-D436 WeakPolarHBondContact CG-OD2 3.5Å; R407-D436 IonicContact NE-OD2 2.88Å; R407-D436 PolarHBondContact NE-OD2 2.84Å; H411-D436 IonicContact CD2-OD2 2.67Å; H411-D436 PolarHBondContact NE2-N 3.5Å; D436-D438 PolarHBondContact O-N 3.5Å; D436-D438 WeakPolarHBondContact OD1-CA 3.21Å; D436-D438 WeakPolarHBondContact OD1-CB 3.49Å; D436-D438 PolarHBondContact OD1-N 3.16Å; D436-L439 WeakPolarHBondContact O-CA 3.44Å; D436-L439 PolarHBondContact O-N 3.34Å; D436-L439 VanDerWaalsContact O-N 3.14Å; D436-R440 PolarHBondContact N-O 3.1Å; D436-R440 PolarHBondContact OD1-N 2.85Å
437	K	89.8	Confident	93.2	Very high	141 Å²	141	35.7 Å²	35.7	61%	0.613	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-25	-177.2	-167.1	-143.7	167.9	-155.5	0	112.5	N405 L439	N405-K437 HydrophobicContact CB-CB 4.47Å; N405-K437 WeakPolarHBondContact O-CB 3.46Å; N405-K437 PolarHBondContact O-N 3.18Å; N405-K437 WeakPolarHBondContact OD1-CB 3.35Å; N405-K437 WeakPolarHBondContact OD1-CD 3.48Å; K437-L439 PolarHBondContact O-N 3.17Å
438	D	87.6	Confident	93.4	Very high	59 Å²	59	36.6 Å²	36.6	32%	0.316	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	19.3	176.6	-46.4	-17.5	0	0	0	110.1	N405 D436 R440	N405-D438 PolarHBondContact ND2-OD1 3.06Å; N405-D438 PolarHBondContact ND2-OD2 2.88Å; D436-D438 PolarHBondContact O-N 3.5Å; D436-D438 WeakPolarHBondContact OD1-CA 3.21Å; D436-D438 WeakPolarHBondContact OD1-CB 3.49Å; D436-D438 PolarHBondContact OD1-N 3.16Å; D438-R440 HydrophobicContact CB-CG 4.37Å; D438-R440 PolarHBondContact O-N 2.89Å; D438-R440 IonicContact OD2-NH1 3.22Å; D438-R440 PolarHBondContact OD2-NH1 2.96Å
439	L	88.4	Confident	93.6	Very high	77 Å²	77	38.1 Å²	38.1	40%	0.403	20%	0.195	S	C	.	.			trans	62.1	-5.5	-175.1	-57.8	179.2	0	0	0	116.6	K435 D436 K437 H467	K435-L439 VanDerWaalsContact CD-O 3.32Å; K435-L439 WeakPolarHBondContact CD-O 3.28Å; K435-L439 VanDerWaalsContact CG-O 3.27Å; K435-L439 WeakPolarHBondContact CG-O 3.38Å; D436-L439 WeakPolarHBondContact O-CA 3.44Å; D436-L439 PolarHBondContact O-N 3.34Å; D436-L439 VanDerWaalsContact O-N 3.14Å; K437-L439 PolarHBondContact O-N 3.17Å; L439-H467 WeakPolarHBondContact CB-NE2 3.49Å; L439-H467 PolarHBondContact O-NE2 2.9Å
440	R	91.1	Very high	93.8	Very high	62 Å²	62	40.2 Å²	40.2	23%	0.234	20%	0.198	C	C	.	.			trans	-61	147.4	-174	-61.1	-167.2	172.2	93.6	16.2	112.9	H411 K435 D436 D438 L444 E469	H411-R440 PolarHBondContact NE2-O 2.91Å; H411-R440 VanDerWaalsContact NE2-O 3.11Å; K435-R440 WeakPolarHBondContact CA-O 3.5Å; D436-R440 PolarHBondContact N-O 3.1Å; D436-R440 PolarHBondContact OD1-N 2.85Å; D438-R440 HydrophobicContact CB-CG 4.37Å; D438-R440 PolarHBondContact O-N 2.89Å; D438-R440 IonicContact OD2-NH1 3.22Å; D438-R440 PolarHBondContact OD2-NH1 2.96Å; R440-L444 HydrophobicContact CB-CD2 4.03Å; R440-L444 HydrophobicContact CG-CD2 3.86Å; R440-E469 IonicContact CZ-OE2 3.02Å; R440-E469 IonicContact NE-OE2 3.86Å; R440-E469 PolarHBondContact NE-OE2 3.26Å; R440-E469 IonicContact NH2-OE2 3.99Å; R440-E469 PolarHBondContact NH2-OE2 2.77Å
441	T	94.9	Very high	93.9	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.205	C	C	.	.			trans	-102.9	161	172.4	62.8	0	0	0	0	112	D433 K435 L443 L444 E445	D433-T441 HydrophobicContact CB-CG2 4.48Å; K435-T441 HydrophobicContact CG-CG2 4.08Å; T441-L443 PolarHBondContact O-N 2.92Å; T441-L444 WeakPolarHBondContact O-CB 3.47Å; T441-L444 PolarHBondContact O-N 3.34Å; T441-L444 VanDerWaalsContact O-N 3.12Å; T441-L444 PolarHBondContact OG1-N 2.86Å; T441-E445 PolarHBondContact O-N 2.8Å
442	P	96.2	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-33.7	170.6	-28.1	34.3	0	0	0	114.6	L410 A414 V432 A434 E445 A446 L458	L410-P442 HydrophobicContact CB-CG 4.14Å; L410-P442 HydrophobicContact CD2-CB 4.16Å; L410-P442 HydrophobicContact CD2-CG 3.96Å; L410-P442 HydrophobicContact CG-CB 3.83Å; L410-P442 HydrophobicContact CG-CG 3.86Å; A414-P442 HydrophobicContact CB-CB 4.13Å; A414-P442 WeakPolarHBondContact CB-O 3.44Å; V432-P442 VanDerWaalsContact O-CD 3.32Å; V432-P442 WeakPolarHBondContact O-CD 3.41Å; V432-P442 WeakPolarHBondContact O-CG 3.31Å; A434-P442 VanDerWaalsContact O-CD 3.24Å; A434-P442 WeakPolarHBondContact O-CD 3.42Å; P442-E445 PolarHBondContact O-N 2.77Å; P442-A446 PolarHBondContact O-N 2.87Å; P442-L458 HydrophobicContact CB-CD1 4.25Å
443	L	96.9	Very high	94	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-48	174.2	173.8	61.2	0	0	0	110.4	T441 E445 A446 V447 A455 L458 I459 A463 V465	T441-L443 PolarHBondContact O-N 2.92Å; L443-E445 VanDerWaalsContact C-N 3.3Å; L443-E445 PolarHBondContact O-N 2.9Å; L443-A446 WeakPolarHBondContact O-CB 3.5Å; L443-A446 PolarHBondContact O-N 3Å; L443-A446 VanDerWaalsContact O-N 3.07Å; L443-V447 HydrophobicContact CD1-CG2 4.26Å; L443-V447 WeakPolarHBondContact O-CG2 3.16Å; L443-V447 PolarHBondContact O-N 2.77Å; L443-A455 HydrophobicContact CD1-CB 3.99Å; L443-L458 HydrophobicContact CB-CB 4.45Å; L443-L458 HydrophobicContact CB-CD1 4.33Å; L443-L458 HydrophobicContact CD1-CB 4.15Å; L443-I459 HydrophobicContact CD1-CD1 4.22Å; L443-I459 HydrophobicContact CD1-CG1 3.86Å; L443-I459 HydrophobicContact CD2-CG1 4Å; L443-A463 HydrophobicContact CB-CB 3.98Å; L443-A463 HydrophobicContact CD2-CB 3.85Å; L443-A463 HydrophobicContact CG-CB 4.42Å; L443-V465 HydrophobicContact CD2-CG1 3.93Å
444	L	95.3	Very high	94.1	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-39.3	178.3	-177.5	62.4	0	0	0	111.8	R440 T441 A446 V447 I448 E469	R440-L444 HydrophobicContact CB-CD2 4.03Å; R440-L444 HydrophobicContact CG-CD2 3.86Å; T441-L444 WeakPolarHBondContact O-CB 3.47Å; T441-L444 PolarHBondContact O-N 3.34Å; T441-L444 VanDerWaalsContact O-N 3.12Å; T441-L444 PolarHBondContact OG1-N 2.86Å; L444-A446 PolarHBondContact O-N 2.78Å; L444-V447 PolarHBondContact O-N 2.73Å; L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.45Å; L444-I448 HydrophobicContact CG-CD1 3.76Å; L444-I448 HydrophobicContact CG-CG1 4.37Å; L444-I448 WeakPolarHBondContact O-CB 2.99Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.26Å; L444-I448 PolarHBondContact O-N 3.12Å; L444-E469 HydrophobicContact CD2-CG 3.54Å
445	E	95.1	Very high	94.3	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-39	171.7	-76.1	-70.1	153.4	0	0	113.3	R407 A414 Q415 T441 P442 L443 N449	R407-E445 IonicContact CZ-OE1 3.88Å; R407-E445 IonicContact NH2-OE1 2.64Å; R407-E445 PolarHBondContact NH2-OE1 3.26Å; R407-E445 IonicContact NH2-OE2 3.06Å; R407-E445 PolarHBondContact NH2-OE2 2.94Å; A414-E445 HydrophobicContact CB-CB 4.3Å; Q415-E445 HydrophobicContact CB-CB 4.45Å; Q415-E445 WeakPolarHBondContact CB-OE2 3.39Å; Q415-E445 WeakPolarHBondContact CG-OE2 3.32Å; Q415-E445 PolarHBondContact NE2-OE2 3.19Å; T441-E445 PolarHBondContact O-N 2.8Å; P442-E445 PolarHBondContact O-N 2.77Å; L443-E445 VanDerWaalsContact C-N 3.3Å; L443-E445 PolarHBondContact O-N 2.9Å; E445-N449 WeakPolarHBondContact O-CB 3.48Å; E445-N449 PolarHBondContact O-N 3.5Å; E445-N449 PolarHBondContact O-ND2 3.17Å; E445-N449 PolarHBondContact OE2-ND2 2.54Å
446	A	97.1	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-41.5	173.5	0	0	0	0	0	111.4	A414 P442 L443 L444 N450 H451 V454 A455 L458	A414-A446 HydrophobicContact CB-CB 4.28Å; P442-A446 PolarHBondContact O-N 2.87Å; L443-A446 WeakPolarHBondContact O-CB 3.5Å; L443-A446 PolarHBondContact O-N 3Å; L443-A446 VanDerWaalsContact O-N 3.07Å; L444-A446 PolarHBondContact O-N 2.78Å; A446-N450 PolarHBondContact O-N 3.32Å; A446-N450 VanDerWaalsContact O-N 3.13Å; A446-H451 HydrophobicContact CB-CB 4.43Å; A446-H451 PolarHBondContact O-N 2.54Å; A446-V454 HydrophobicContact CB-CB 4.14Å; A446-V454 HydrophobicContact CB-CG1 3.92Å; A446-A455 HydrophobicContact CB-CB 4.26Å; A446-L458 HydrophobicContact CB-CD1 4.19Å
447	V	96.5	Very high	94.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-52.8	178.1	175.2	0	0	0	0	111.9	L443 L444 N449 N450 A455 G475 H478 A479 L482 I487	L443-V447 HydrophobicContact CD1-CG2 4.26Å; L443-V447 WeakPolarHBondContact O-CG2 3.16Å; L443-V447 PolarHBondContact O-N 2.77Å; L444-V447 PolarHBondContact O-N 2.73Å; V447-N449 PolarHBondContact O-N 3.28Å; V447-N450 WeakPolarHBondContact O-CA 3.25Å; V447-N450 PolarHBondContact O-N 3.13Å; V447-A455 HydrophobicContact CG2-CB 4.39Å; V447-G475 WeakPolarHBondContact CG1-O 3.4Å; V447-H478 HydrophobicContact CG1-CB 3.91Å; V447-A479 HydrophobicContact CG1-CB 4Å; V447-L482 VanDerWaalsContact O-CD1 3.24Å; V447-L482 WeakPolarHBondContact O-CD1 3.29Å; V447-I487 HydrophobicContact CB-CG2 4.49Å; V447-I487 HydrophobicContact CG1-CG2 4.07Å; V447-I487 HydrophobicContact CG2-CG2 3.78Å
448	I	94.9	Very high	95	Very high	53 Å²	53	32.2 Å²	32.2	27%	0.272	16%	0.158	S	C	.	.	H	α-helix	trans	-58.2	-33.6	-179.8	-70.4	171	0	0	0	111.7	L444 H478	L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.45Å; L444-I448 HydrophobicContact CG-CD1 3.76Å; L444-I448 HydrophobicContact CG-CG1 4.37Å; L444-I448 WeakPolarHBondContact O-CB 2.99Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.26Å; L444-I448 PolarHBondContact O-N 3.12Å; I448-H478 HydrophobicContact CG1-CB 4.15Å
449	N	95.6	Very high	95.4	Very high	50 Å²	50	31 Å²	31	27%	0.267	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.7	178.2	-63.7	-101.7	0	0	0	113.2	E445 V447 H451	E445-N449 WeakPolarHBondContact O-CB 3.48Å; E445-N449 PolarHBondContact O-N 3.5Å; E445-N449 PolarHBondContact O-ND2 3.17Å; E445-N449 PolarHBondContact OE2-ND2 2.54Å; V447-N449 PolarHBondContact O-N 3.28Å; N449-H451 VanDerWaalsContact CB-CD2 3.41Å; N449-H451 WeakPolarHBondContact CB-CD2 3.35Å; N449-H451 VanDerWaalsContact CB-NE2 3.35Å; N449-H451 WeakPolarHBondContact CB-NE2 3.43Å; N449-H451 PolarHBondContact O-CD2 3.44Å; N449-H451 PolarHBondContact O-CE1 3.46Å; N449-H451 PolarHBondContact O-N 2.04Å; N449-H451 PolarHBondContact O-NE2 3.5Å
450	N	95.5	Very high	95.7	Very high	79 Å²	79	34.2 Å²	34.2	42%	0.422	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	25.5	172.5	-154.3	46.9	0	0	0	116.6	A446 V447 V452 N484	A446-N450 PolarHBondContact O-N 3.32Å; A446-N450 VanDerWaalsContact O-N 3.13Å; V447-N450 WeakPolarHBondContact O-CA 3.25Å; V447-N450 PolarHBondContact O-N 3.13Å; N450-V452 PolarHBondContact O-N 3.26Å; N450-N484 WeakPolarHBondContact OD1-CB 3.41Å; N450-N484 PolarHBondContact OD1-ND2 2.99Å
451	H	96.8	Very high	95.9	Very high	47 Å²	47	34 Å²	34	22%	0.218	17%	0.168	C	C	.	.			trans	-88.7	79.3	-174	-62	-58.8	0	0	0	112.9	A414 Q415 G417 A446 N449 D453 V454 A455	A414-H451 PolarHBondContact O-CD2 3.16Å; Q415-H451 PolarHBondContact O-NE2 2.82Å; G417-H451 VanDerWaalsContact CA-ND1 3.32Å; G417-H451 WeakPolarHBondContact CA-ND1 3.34Å; G417-H451 PolarHBondContact N-CD2 3.36Å; G417-H451 PolarHBondContact N-NE2 2.92Å; A446-H451 HydrophobicContact CB-CB 4.43Å; A446-H451 PolarHBondContact O-N 2.54Å; N449-H451 VanDerWaalsContact CB-CD2 3.41Å; N449-H451 WeakPolarHBondContact CB-CD2 3.35Å; N449-H451 VanDerWaalsContact CB-NE2 3.35Å; N449-H451 WeakPolarHBondContact CB-NE2 3.43Å; N449-H451 PolarHBondContact O-CD2 3.44Å; N449-H451 PolarHBondContact O-CE1 3.46Å; N449-H451 PolarHBondContact O-N 2.04Å; N449-H451 PolarHBondContact O-NE2 3.5Å; H451-D453 PolarHBondContact O-N 3.27Å; H451-V454 HydrophobicContact CB-CB 4.16Å; H451-V454 HydrophobicContact CB-CG2 4.34Å; H451-V454 PolarHBondContact O-N 2.93Å; H451-V454 VanDerWaalsContact O-N 3.15Å; H451-A455 PolarHBondContact O-N 3.14Å
452	V	96.2	Very high	95.7	Very high	26 Å²	26	36.6 Å²	36.6	16%	0.158	20%	0.195	C	C	.	.	H	α-helix	trans	-46.9	-54	-176.6	-178.2	0	0	0	0	113.3	N450 V454 A455 R456 N484 E486 I487 M490	N450-V452 PolarHBondContact O-N 3.26Å; V452-V454 VanDerWaalsContact C-N 3.31Å; V452-V454 PolarHBondContact O-N 3.29Å; V452-A455 PolarHBondContact O-N 2.84Å; V452-R456 VanDerWaalsContact CG1-NH2 3.29Å; V452-R456 WeakPolarHBondContact O-CB 3.46Å; V452-R456 PolarHBondContact O-N 3.26Å; V452-N484 VanDerWaalsContact CG2-ND2 3.26Å; V452-N484 WeakPolarHBondContact CG2-ND2 3.43Å; V452-E486 HydrophobicContact CG1-CB 4.06Å; V452-I487 HydrophobicContact CG2-CD1 4.27Å; V452-I487 HydrophobicContact CG2-CG1 4.15Å; V452-M490 HydrophobicContact CG1-CE 3.9Å
453	D	95.2	Very high	95.7	Very high	97 Å²	97	37 Å²	37	52%	0.519	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-33.2	-175	-66.3	-42.3	0	0	0	113.2	L419 H451 Y457	L419-D453 HydrophobicContact CD2-CB 4.25Å; H451-D453 PolarHBondContact O-N 3.27Å; D453-Y457 WeakPolarHBondContact O-CB 2.63Å; D453-Y457 PolarHBondContact O-N 2.88Å
454	V	96.6	Very high	95.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-74.1	-41.6	175.8	-178.8	0	0	0	0	110.6	A414 L419 C422 A446 H451 V452 R456 Y457 L458	A414-V454 HydrophobicContact CB-CG1 4.19Å; L419-V454 HydrophobicContact CB-CG2 4.17Å; L419-V454 HydrophobicContact CD1-CG2 4.48Å; C422-V454 HydrophobicContact CB-CG1 4.41Å; A446-V454 HydrophobicContact CB-CB 4.14Å; A446-V454 HydrophobicContact CB-CG1 3.92Å; H451-V454 HydrophobicContact CB-CB 4.16Å; H451-V454 HydrophobicContact CB-CG2 4.34Å; H451-V454 PolarHBondContact O-N 2.93Å; H451-V454 VanDerWaalsContact O-N 3.15Å; V452-V454 VanDerWaalsContact C-N 3.31Å; V452-V454 PolarHBondContact O-N 3.29Å; V454-R456 VanDerWaalsContact C-N 3.35Å; V454-R456 PolarHBondContact O-N 2.89Å; V454-Y457 PolarHBondContact O-N 2.72Å; V454-L458 HydrophobicContact CG1-CD1 3.76Å; V454-L458 HydrophobicContact CG1-CG 4.16Å; V454-L458 WeakPolarHBondContact O-CB 3.3Å; V454-L458 VanDerWaalsContact O-CG 3.22Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 2.95Å
455	A	97.1	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-46.6	173.2	0	0	0	0	0	111	L443 A446 V447 H451 V452 Y457 L458 I459 I487 M490	L443-A455 HydrophobicContact CD1-CB 3.99Å; A446-A455 HydrophobicContact CB-CB 4.26Å; V447-A455 HydrophobicContact CG2-CB 4.39Å; H451-A455 PolarHBondContact O-N 3.14Å; V452-A455 PolarHBondContact O-N 2.84Å; A455-Y457 PolarHBondContact O-N 3.18Å; A455-L458 PolarHBondContact O-N 2.27Å; A455-I459 VanDerWaalsContact O-CG1 3.25Å; A455-I459 WeakPolarHBondContact O-CG1 3.4Å; A455-I459 PolarHBondContact O-N 3.31Å; A455-I487 HydrophobicContact CB-CD1 4.4Å; A455-I487 HydrophobicContact CB-CG1 4.46Å; A455-M490 HydrophobicContact CB-CE 4.42Å
456	R	96.3	Very high	95.4	Very high	81 Å²	81	44 Å²	44	31%	0.306	23%	0.229	S	C	.	.	H	α-helix	trans	-55.1	-50.5	174.9	-164.5	-178.5	-46.4	-88.7	8.9	111.7	V452 V454 Q460 E486 M490	V452-R456 VanDerWaalsContact CG1-NH2 3.29Å; V452-R456 WeakPolarHBondContact O-CB 3.46Å; V452-R456 PolarHBondContact O-N 3.26Å; V454-R456 VanDerWaalsContact C-N 3.35Å; V454-R456 PolarHBondContact O-N 2.89Å; R456-Q460 WeakPolarHBondContact O-CB 3.48Å; R456-Q460 VanDerWaalsContact O-CG 3.26Å; R456-Q460 WeakPolarHBondContact O-CG 3.27Å; R456-Q460 PolarHBondContact O-N 3.37Å; R456-E486 IonicContact CZ-OE2 2.73Å; R456-E486 IonicContact NH2-OE2 3.24Å; R456-E486 PolarHBondContact NH2-OE2 3.02Å; R456-M490 HydrophobicContact CB-CE 4.21Å; R456-M490 HydrophobicContact CB-SD 3.48Å; R456-M490 WeakPolarHBondContact CB-SD 3.2Å; R456-M490 HydrophobicContact CG-SD 3.51Å; R456-M490 VanDerWaalsContact CG-SD 3.51Å; R456-M490 PolarHBondContact NH1-SD 3.26Å
457	Y	96	Very high	95.2	Very high	22 Å²	22	45 Å²	45	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-40	179.4	178.2	-104.8	0	0	0	112.8	L419 C422 Y423 I426 D453 V454 A455 Q460 N461	L419-Y457 HydrophobicContact CD1-CD1 4.17Å; L419-Y457 HydrophobicContact CD1-CD2 4.5Å; L419-Y457 HydrophobicContact CD1-CG 3.81Å; C422-Y457 HydrophobicContact CB-CD1 4.4Å; Y423-Y457 AromaticContact CD2-CE2 3.91Å; Y423-Y457 HydrophobicContact CD2-CE2 3.91Å; Y423-Y457 AromaticContact CD2-CZ 3.75Å; Y423-Y457 WeakPolarHBondContact CD2-OH 3.44Å; I426-Y457 HydrophobicContact CD1-CE1 3.9Å; D453-Y457 WeakPolarHBondContact O-CB 2.63Å; D453-Y457 PolarHBondContact O-N 2.88Å; V454-Y457 PolarHBondContact O-N 2.72Å; A455-Y457 PolarHBondContact O-N 3.18Å; Y457-Q460 PolarHBondContact O-N 2.65Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.35Å; Y457-N461 VanDerWaalsContact CZ-ND2 3.31Å; Y457-N461 PolarHBondContact O-N 2.88Å; Y457-N461 VanDerWaalsContact O-N 3.12Å; Y457-N461 PolarHBondContact O-ND2 2.69Å
458	L	96.6	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-44.6	177.9	-71.7	171.5	0	0	0	111.8	L410 A414 I426 V432 P442 L443 A446 V454 A455 Q460 N461 G462 A463	L410-L458 HydrophobicContact CD2-CD2 4.43Å; A414-L458 HydrophobicContact CB-CD1 4.36Å; I426-L458 HydrophobicContact CD1-CD2 3.57Å; V432-L458 HydrophobicContact CG1-CD2 4.14Å; P442-L458 HydrophobicContact CB-CD1 4.25Å; L443-L458 HydrophobicContact CB-CB 4.45Å; L443-L458 HydrophobicContact CB-CD1 4.33Å; L443-L458 HydrophobicContact CD1-CB 4.15Å; A446-L458 HydrophobicContact CB-CD1 4.19Å; V454-L458 HydrophobicContact CG1-CD1 3.76Å; V454-L458 HydrophobicContact CG1-CG 4.16Å; V454-L458 WeakPolarHBondContact O-CB 3.3Å; V454-L458 VanDerWaalsContact O-CG 3.22Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 2.95Å; A455-L458 PolarHBondContact O-N 2.27Å; L458-Q460 VanDerWaalsContact C-N 3.34Å; L458-Q460 PolarHBondContact O-N 3.05Å; L458-N461 CarbonylContact O-C 3.59Å; L458-N461 PolarHBondContact O-N 3.06Å; L458-N461 VanDerWaalsContact O-N 3.07Å; L458-G462 PolarHBondContact O-N 2.77Å; L458-A463 HydrophobicContact CB-CB 4.05Å; L458-A463 VanDerWaalsContact O-CB 3.22Å; L458-A463 WeakPolarHBondContact O-CB 3.23Å; L458-A463 PolarHBondContact O-N 3.45Å; L458-A463 VanDerWaalsContact O-N 3.08Å
459	I	96	Very high	94.6	Very high	33 Å²	33	46.2 Å²	46.2	17%	0.169	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-45.7	174.7	-66	166.9	0	0	0	110.3	L443 A455 N461 G462 V465 M490 L491 T494	L443-I459 HydrophobicContact CD1-CD1 4.22Å; L443-I459 HydrophobicContact CD1-CG1 3.86Å; L443-I459 HydrophobicContact CD2-CG1 4Å; A455-I459 VanDerWaalsContact O-CG1 3.25Å; A455-I459 WeakPolarHBondContact O-CG1 3.4Å; A455-I459 PolarHBondContact O-N 3.31Å; I459-N461 PolarHBondContact O-N 3.46Å; I459-G462 PolarHBondContact O-N 3.24Å; I459-V465 HydrophobicContact CD1-CG1 4.26Å; I459-V465 HydrophobicContact CG1-CG1 3.87Å; I459-V465 HydrophobicContact CG2-CG1 4.35Å; I459-M490 HydrophobicContact CD1-CB 4.2Å; I459-L491 HydrophobicContact CD1-CD2 4.02Å; I459-T494 HydrophobicContact CG2-CG2 4.02Å
460	Q	94.4	Very high	94.2	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.673	26%	0.264	S	S	*	.	H	α-helix	trans	-62.2	-20.8	175.8	-74.4	173.7	-12.6	0	0	114.3	R456 Y457 L458	R456-Q460 WeakPolarHBondContact O-CB 3.48Å; R456-Q460 VanDerWaalsContact O-CG 3.26Å; R456-Q460 WeakPolarHBondContact O-CG 3.27Å; R456-Q460 PolarHBondContact O-N 3.37Å; Y457-Q460 PolarHBondContact O-N 2.65Å; L458-Q460 VanDerWaalsContact C-N 3.34Å; L458-Q460 PolarHBondContact O-N 3.05Å
461	N	94	Very high	93.8	Very high	57 Å²	57	51.9 Å²	51.9	31%	0.305	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	16.4	175.2	-74.8	-103	0	0	0	112.7	I426 Y457 L458 I459	I426-N461 HydrophobicContact CD1-CB 4.42Å; I426-N461 HydrophobicContact CG2-CB 4.39Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.35Å; Y457-N461 VanDerWaalsContact CZ-ND2 3.31Å; Y457-N461 PolarHBondContact O-N 2.88Å; Y457-N461 VanDerWaalsContact O-N 3.12Å; Y457-N461 PolarHBondContact O-ND2 2.69Å; L458-N461 CarbonylContact O-C 3.59Å; L458-N461 PolarHBondContact O-N 3.06Å; L458-N461 VanDerWaalsContact O-N 3.07Å; I459-N461 PolarHBondContact O-N 3.46Å
462	G	92.4	Very high	93.5	Very high	58 Å²	58	50.1 Å²	50.1	60%	0.598	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	24.4	171.3	0	0	0	0	0	115.5	L458 I459	L458-G462 PolarHBondContact O-N 2.77Å; I459-G462 PolarHBondContact O-N 3.24Å
463	A	95.5	Very high	93.3	Very high	7 Å²	7	51 Å²	51	6%	0.058	26%	0.263	C	S	.	.			trans	-62.9	141.2	173.8	0	0	0	0	0	112.7	V432 L443 L458 V465	V432-A463 HydrophobicContact CG1-CB 3.56Å; L443-A463 HydrophobicContact CB-CB 3.98Å; L443-A463 HydrophobicContact CD2-CB 3.85Å; L443-A463 HydrophobicContact CG-CB 4.42Å; L458-A463 HydrophobicContact CB-CB 4.05Å; L458-A463 VanDerWaalsContact O-CB 3.22Å; L458-A463 WeakPolarHBondContact O-CB 3.23Å; L458-A463 PolarHBondContact O-N 3.45Å; L458-A463 VanDerWaalsContact O-N 3.08Å; A463-V465 PolarHBondContact O-N 3.49Å; A463-V465 VanDerWaalsContact O-N 3.1Å
464	C	94.3	Very high	93.2	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.176	24%	0.241	C	C	.	.			trans	-70.4	100.4	179.5	178.6	0	0	0	0	112.2	D433	D433-C464 VanDerWaalsContact CG-N 3.32Å; D433-C464 WeakPolarHBondContact OD1-CB 3.48Å; D433-C464 PolarHBondContact OD1-N 3.17Å; D433-C464 WeakPolarHBondContact OD2-CB 3.02Å; D433-C464 PolarHBondContact OD2-N 3.48Å; D433-C464 VanDerWaalsContact OD2-N 3.14Å
465	V	95	Very high	93.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.5	-179.7	-67.3	0	0	0	0	115	L443 I459 A463 L491 T494 Q496 V497	L443-V465 HydrophobicContact CD2-CG1 3.93Å; I459-V465 HydrophobicContact CD1-CG1 4.26Å; I459-V465 HydrophobicContact CG1-CG1 3.87Å; I459-V465 HydrophobicContact CG2-CG1 4.35Å; A463-V465 PolarHBondContact O-N 3.49Å; A463-V465 VanDerWaalsContact O-N 3.1Å; V465-L491 HydrophobicContact CB-CD2 3.85Å; V465-L491 HydrophobicContact CG1-CD2 3.72Å; V465-T494 HydrophobicContact CG1-CG2 4.01Å; V465-T494 HydrophobicContact CG2-CG2 4.22Å; V465-Q496 HydrophobicContact CG2-CB 3.9Å; V465-V497 HydrophobicContact CB-CG2 3.69Å; V465-V497 HydrophobicContact CG2-CG2 3.55Å
466	Y	91.8	Very high	93.2	Very high	137 Å²	137	47.1 Å²	47.1	54%	0.537	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	17.8	-177.1	58.6	-92.7	0	0	0	113.3	Q496	Y466-Q496 HydrophobicContact CD1-CB 4.2Å
467	H	92.4	Very high	93.2	Very high	20 Å²	20	43.3 Å²	43.3	9%	0.093	23%	0.23	C	C	.	.			trans	-68.5	133.8	177.7	169.3	43.5	0	0	0	111.8	K435 L439	K435-H467 PolarHBondContact NZ-CE1 2.96Å; K435-H467 PolarHBondContact NZ-ND1 2.92Å; L439-H467 WeakPolarHBondContact CB-NE2 3.49Å; L439-H467 PolarHBondContact O-NE2 2.9Å
468	V	90.5	Very high	93.2	Very high	68 Å²	68	43.6 Å²	43.6	41%	0.412	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-107.1	131.6	177.7	-162.9	0	0	0	0	111.1	G472 Y473 T474	V468-G472 WeakPolarHBondContact CG1-O 3.28Å; V468-Y473 CarbonylContact C-O 3.48Å; V468-Y473 WeakPolarHBondContact CA-O 3.5Å; V468-T474 HydrophobicContact CG1-CG2 4.49Å; V468-T474 HydrophobicContact CG2-CG2 4.18Å
469	E	89.4	Confident	93.2	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.061	23%	0.232	C	C	.	.			trans	-74.4	170.4	170.5	-75.1	179.8	-89	0	0	112.5	R440 L444 D471 G472 Y473 H478	R440-E469 IonicContact CZ-OE2 3.02Å; R440-E469 IonicContact NE-OE2 3.86Å; R440-E469 PolarHBondContact NE-OE2 3.26Å; R440-E469 IonicContact NH2-OE2 3.99Å; R440-E469 PolarHBondContact NH2-OE2 2.77Å; L444-E469 HydrophobicContact CD2-CG 3.54Å; E469-D471 PolarHBondContact O-N 2.82Å; E469-G472 PolarHBondContact O-N 2.81Å; E469-Y473 PolarHBondContact N-O 2.75Å; E469-Y473 WeakPolarHBondContact OE1-CB 3.39Å; E469-H478 IonicContact OE1-CD2 3.05Å; E469-H478 IonicContact OE1-CE1 2.65Å; E469-H478 IonicContact OE1-NE2 3.25Å; E469-H478 PolarHBondContact OE1-NE2 2.8Å
470	E	86.7	Confident	93.3	Very high	153 Å²	153	42 Å²	42	72%	0.715	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.2	174.5	-170.9	168.1	-167.4	0	0	112.6	G472 N504	E470-G472 VanDerWaalsContact C-N 3.26Å; E470-G472 PolarHBondContact O-N 2.85Å; E470-N504 PolarHBondContact O-ND2 2.75Å
471	D	86.4	Confident	93.4	Very high	95 Å²	95	37.7 Å²	37.7	51%	0.508	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.4	174.5	-72.1	-49.5	0	0	0	114.5	E469 Y473 N504	E469-D471 PolarHBondContact O-N 2.82Å; D471-Y473 HydrophobicContact CB-CD2 3.8Å; D471-Y473 HydrophobicContact CB-CE2 4.24Å; D471-Y473 PolarHBondContact O-N 3.19Å; D471-N504 VanDerWaalsContact C-CG 3.46Å; D471-N504 VanDerWaalsContact CA-ND2 3.31Å; D471-N504 WeakPolarHBondContact CA-ND2 3.38Å; D471-N504 VanDerWaalsContact O-CB 3.26Å; D471-N504 WeakPolarHBondContact O-CB 3.34Å; D471-N504 PolarHBondContact O-N 2.59Å
472	G	89.9	Confident	93.5	Very high	10 Å²	10	38.7 Å²	38.7	10%	0.103	21%	0.208	C	C	.	.	S	Bend	trans	78.4	-6.9	-178.4	0	0	0	0	0	114.9	V468 E469 E470	V468-G472 WeakPolarHBondContact CG1-O 3.28Å; E469-G472 PolarHBondContact O-N 2.81Å; E470-G472 VanDerWaalsContact C-N 3.26Å; E470-G472 PolarHBondContact O-N 2.85Å
473	Y	92.6	Very high	93.7	Very high	45 Å²	45	37 Å²	37	18%	0.176	19%	0.19	C	C	.	.			trans	-62.7	142.2	177.4	-81.3	-112.2	0	0	0	111.9	V468 E469 D471 H477 H478 K481 D503 W512	V468-Y473 CarbonylContact C-O 3.48Å; V468-Y473 WeakPolarHBondContact CA-O 3.5Å; E469-Y473 PolarHBondContact N-O 2.75Å; E469-Y473 WeakPolarHBondContact OE1-CB 3.39Å; D471-Y473 HydrophobicContact CB-CD2 3.8Å; D471-Y473 HydrophobicContact CB-CE2 4.24Å; D471-Y473 PolarHBondContact O-N 3.19Å; Y473-H477 HydrophobicContact CD1-CB 3.88Å; Y473-H478 AromaticContact CD1-CE1 3.61Å; Y473-H478 AromaticContact CD1-NE2 3.57Å; Y473-H478 AromaticContact CG-NE2 3.98Å; Y473-K481 PolarHBondContact OH-NZ 2.82Å; Y473-D503 HydrophobicContact CD2-CB 4.08Å; Y473-D503 HydrophobicContact CE2-CB 4.37Å; Y473-W512 HydrophobicContact CE1-CZ2 4.19Å; Y473-W512 AromaticContact CZ-CZ2 3.73Å; Y473-W512 WeakPolarHBondContact OH-CH2 3.33Å; Y473-W512 WeakPolarHBondContact OH-CZ2 3.42Å
474	T	94.1	Very high	93.7	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-114.8	168.3	169.9	74.6	0	0	0	0	111.1	V468 L476 H477 H478 A501	V468-T474 HydrophobicContact CG1-CG2 4.49Å; V468-T474 HydrophobicContact CG2-CG2 4.18Å; T474-L476 PolarHBondContact O-N 3.29Å; T474-L476 VanDerWaalsContact O-N 3.12Å; T474-L476 PolarHBondContact OG1-N 3.04Å; T474-H477 PolarHBondContact N-ND1 3.16Å; T474-H477 WeakPolarHBondContact O-CB 3.4Å; T474-H477 PolarHBondContact O-N 2.93Å; T474-H477 PolarHBondContact OG1-ND1 2.77Å; T474-H478 PolarHBondContact O-CD2 2.78Å; T474-H478 PolarHBondContact O-N 3.06Å; T474-A501 HydrophobicContact CG2-CB 4.39Å
475	G	94.8	Very high	93.8	Very high	7 Å²	7	39.3 Å²	39.3	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-53.7	-31.7	172.6	0	0	0	0	0	113.5	V447 A479	V447-G475 WeakPolarHBondContact CG1-O 3.4Å; G475-A479 WeakPolarHBondContact O-CB 3.49Å; G475-A479 PolarHBondContact O-N 3.38Å
476	L	97.1	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-34.6	177.6	-171.2	61.4	0	0	0	112.7	T474 A479 A480 V488 L491 L492 V497 P509 L525	T474-L476 PolarHBondContact O-N 3.29Å; T474-L476 VanDerWaalsContact O-N 3.12Å; T474-L476 PolarHBondContact OG1-N 3.04Å; L476-A479 PolarHBondContact O-N 3.27Å; L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.76Å; L476-V488 HydrophobicContact CD1-CB 4.44Å; L476-V488 HydrophobicContact CD1-CG1 4.16Å; L476-V488 HydrophobicContact CD1-CG2 4.27Å; L476-L491 HydrophobicContact CB-CD1 4.4Å; L476-L491 HydrophobicContact CD1-CB 4.45Å; L476-L491 HydrophobicContact CD1-CD1 4.4Å; L476-L492 HydrophobicContact CD1-CD2 4.31Å; L476-L492 HydrophobicContact CD1-CG 4.19Å; L476-L492 HydrophobicContact CD2-CD2 3.86Å; L476-V497 HydrophobicContact CB-CG1 3.89Å; L476-V497 HydrophobicContact CD2-CG1 3.74Å; L476-V497 HydrophobicContact CG-CG1 4.38Å; L476-P509 HydrophobicContact CB-CG 4.23Å; L476-P509 HydrophobicContact CD2-CB 4.24Å; L476-P509 HydrophobicContact CD2-CG 3.9Å; L476-P509 HydrophobicContact CG-CB 3.9Å; L476-P509 HydrophobicContact CG-CG 3.82Å; L476-L525 HydrophobicContact CD1-CD2 4.29Å; L476-L525 HydrophobicContact CD2-CD2 4.18Å; L476-L525 HydrophobicContact CG-CD2 4.44Å
477	H	96.9	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-49.5	174.6	-70.3	70.7	0	0	0	110.9	Y473 T474 A480 K481 A501 D503 W507 W512	Y473-H477 HydrophobicContact CD1-CB 3.88Å; T474-H477 PolarHBondContact N-ND1 3.16Å; T474-H477 WeakPolarHBondContact O-CB 3.4Å; T474-H477 PolarHBondContact O-N 2.93Å; T474-H477 PolarHBondContact OG1-ND1 2.77Å; H477-A480 PolarHBondContact O-N 3.1Å; H477-K481 VanDerWaalsContact O-CB 3.26Å; H477-K481 WeakPolarHBondContact O-CB 3.25Å; H477-K481 PolarHBondContact O-N 2.83Å; H477-A501 PolarHBondContact CE1-O 3.37Å; H477-A501 PolarHBondContact NE2-O 3Å; H477-D503 IonicContact CD2-OD2 3.15Å; H477-W507 PolarHBondContact NE2-O 3.39Å; H477-W507 VanDerWaalsContact NE2-O 3.14Å; H477-W512 AromaticContact CD2-CD1 3.63Å; H477-W512 AromaticContact CD2-NE1 3.82Å
478	H	95.8	Very high	94.5	Very high	29 Å²	29	36.5 Å²	36.5	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-44.5	178.4	-68.8	-74	0	0	0	112.5	V447 I448 E469 Y473 T474 A480 K481 L482	V447-H478 HydrophobicContact CG1-CB 3.91Å; I448-H478 HydrophobicContact CG1-CB 4.15Å; E469-H478 IonicContact OE1-CD2 3.05Å; E469-H478 IonicContact OE1-CE1 2.65Å; E469-H478 IonicContact OE1-NE2 3.25Å; E469-H478 PolarHBondContact OE1-NE2 2.8Å; Y473-H478 AromaticContact CD1-CE1 3.61Å; Y473-H478 AromaticContact CD1-NE2 3.57Å; Y473-H478 AromaticContact CG-NE2 3.98Å; T474-H478 PolarHBondContact O-CD2 2.78Å; T474-H478 PolarHBondContact O-N 3.06Å; H478-A480 VanDerWaalsContact C-N 3.28Å; H478-A480 PolarHBondContact O-N 3.04Å; H478-K481 PolarHBondContact O-N 3.4Å; H478-L482 WeakPolarHBondContact O-CB 3.28Å; H478-L482 VanDerWaalsContact O-CG 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.36Å; H478-L482 PolarHBondContact O-N 2.71Å
479	A	97.3	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-39.6	177.3	0	0	0	0	0	112	V447 G475 L476 G483 N484 I487 V488 L491	V447-A479 HydrophobicContact CG1-CB 4Å; G475-A479 WeakPolarHBondContact O-CB 3.49Å; G475-A479 PolarHBondContact O-N 3.38Å; L476-A479 PolarHBondContact O-N 3.27Å; A479-G483 PolarHBondContact O-N 3.41Å; A479-N484 PolarHBondContact O-N 3.18Å; A479-I487 HydrophobicContact CB-CB 4.09Å; A479-I487 HydrophobicContact CB-CG2 3.6Å; A479-V488 HydrophobicContact CB-CG2 3.74Å; A479-L491 HydrophobicContact CB-CD1 4.1Å
480	A	97.7	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.3	-44.5	178.3	0	0	0	0	0	112.7	L476 H477 H478 L482 G483 V488 P509 A513 H518 V521 L525	L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.76Å; H477-A480 PolarHBondContact O-N 3.1Å; H478-A480 VanDerWaalsContact C-N 3.28Å; H478-A480 PolarHBondContact O-N 3.04Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 2.79Å; A480-G483 PolarHBondContact O-N 2.96Å; A480-V488 HydrophobicContact CB-CG2 4.5Å; A480-P509 HydrophobicContact CB-CB 3.93Å; A480-P509 VanDerWaalsContact CB-O 3.29Å; A480-P509 WeakPolarHBondContact CB-O 3.32Å; A480-A513 HydrophobicContact CB-CB 4.3Å; A480-H518 PolarHBondContact O-CD2 3.34Å; A480-V521 HydrophobicContact CB-CG1 3.94Å; A480-L525 HydrophobicContact CB-CD1 4.42Å
481	K	96.6	Very high	95.5	Very high	53 Å²	53	28.3 Å²	28.3	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-39	174.8	-171.6	171.5	-172.6	155.2	0	112.9	Y473 H477 H478 G483 W512 H516 H518	Y473-K481 PolarHBondContact OH-NZ 2.82Å; H477-K481 VanDerWaalsContact O-CB 3.26Å; H477-K481 WeakPolarHBondContact O-CB 3.25Å; H477-K481 PolarHBondContact O-N 2.83Å; H478-K481 PolarHBondContact O-N 3.4Å; K481-G483 VanDerWaalsContact C-N 3.29Å; K481-G483 PolarHBondContact O-N 3.31Å; K481-W512 HydrophobicContact CB-CB 4.19Å; K481-W512 HydrophobicContact CD-CD2 4Å; K481-W512 HydrophobicContact CD-CE3 3.56Å; K481-W512 HydrophobicContact CD-CZ3 3.96Å; K481-W512 HydrophobicContact CG-CD2 4.43Å; K481-W512 HydrophobicContact CG-CE3 3.9Å; K481-H516 WeakPolarHBondContact CG-NE2 3.18Å; K481-H516 PolarHBondContact O-CD2 3Å; K481-H516 VanDerWaalsContact O-CD2 3.23Å; K481-H518 PolarHBondContact O-CD2 3Å; K481-H518 PolarHBondContact O-NE2 2.8Å
482	L	96.6	Very high	95.9	Very high	78 Å²	78	24.2 Å²	24.2	41%	0.408	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.9	175.4	-68.2	171.6	0	0	0	113.7	V447 H478 A480 N484	V447-L482 VanDerWaalsContact O-CD1 3.24Å; V447-L482 WeakPolarHBondContact O-CD1 3.29Å; H478-L482 WeakPolarHBondContact O-CB 3.28Å; H478-L482 VanDerWaalsContact O-CG 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.36Å; H478-L482 PolarHBondContact O-N 2.71Å; A480-L482 VanDerWaalsContact C-N 3.33Å; A480-L482 PolarHBondContact O-N 2.79Å; L482-N484 VanDerWaalsContact C-N 3.28Å; L482-N484 PolarHBondContact O-N 3Å
483	G	96.3	Very high	96.2	Very high	22 Å²	22	29.8 Å²	29.8	23%	0.227	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	13.4	-178.8	0	0	0	0	0	114.8	A479 A480 K481 L485 H518	A479-G483 PolarHBondContact O-N 3.41Å; A480-G483 PolarHBondContact O-N 2.96Å; K481-G483 VanDerWaalsContact C-N 3.29Å; K481-G483 PolarHBondContact O-N 3.31Å; G483-L485 PolarHBondContact O-N 3.18Å; G483-H518 WeakPolarHBondContact CA-CD2 3.25Å; G483-H518 WeakPolarHBondContact CA-ND1 3.29Å; G483-H518 WeakPolarHBondContact CA-NE2 3.5Å; G483-H518 PolarHBondContact N-CD2 2.91Å; G483-H518 PolarHBondContact N-NE2 2.7Å
484	N	96.2	Very high	96.1	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.102	16%	0.155	C	C	.	.			trans	-80.9	88.2	-174.4	-167.9	-37.5	0	0	0	111.4	N450 V452 A479 L482 E486 I487 V488	N450-N484 WeakPolarHBondContact OD1-CB 3.41Å; N450-N484 PolarHBondContact OD1-ND2 2.99Å; V452-N484 VanDerWaalsContact CG2-ND2 3.26Å; V452-N484 WeakPolarHBondContact CG2-ND2 3.43Å; A479-N484 PolarHBondContact O-N 3.18Å; L482-N484 VanDerWaalsContact C-N 3.28Å; L482-N484 PolarHBondContact O-N 3Å; N484-E486 PolarHBondContact O-N 2.81Å; N484-E486 WeakPolarHBondContact OD1-CB 3.41Å; N484-E486 PolarHBondContact OD1-N 3.37Å; N484-E486 VanDerWaalsContact OD1-N 3.09Å; N484-I487 HydrophobicContact CB-CB 4.23Å; N484-I487 HydrophobicContact CB-CD1 4.33Å; N484-I487 HydrophobicContact CB-CG1 4.36Å; N484-I487 WeakPolarHBondContact ND2-CD1 3.25Å; N484-I487 PolarHBondContact O-N 2.98Å; N484-I487 PolarHBondContact OD1-N 1.86Å; N484-V488 WeakPolarHBondContact O-CG2 3.41Å; N484-V488 PolarHBondContact O-N 2.84Å
485	L	96.8	Very high	95.9	Very high	62 Å²	62	32.7 Å²	32.7	33%	0.325	19%	0.189	S	C	.	.	H	α-helix	trans	-54.2	-35.2	177.3	-177.1	63.1	0	0	0	113.4	G483 N489 Q520 V521	G483-L485 PolarHBondContact O-N 3.18Å; L485-N489 VanDerWaalsContact O-CB 3.29Å; L485-N489 WeakPolarHBondContact O-CB 3.44Å; L485-N489 PolarHBondContact O-N 2.88Å; L485-N489 PolarHBondContact O-OD1 3.14Å; L485-Q520 HydrophobicContact CD2-CB 4.11Å; L485-V521 HydrophobicContact CB-CG2 4.41Å
486	E	97.3	Very high	95.7	Very high	104 Å²	104	38.1 Å²	38.1	49%	0.486	21%	0.212	S	C	.	.	H	α-helix	trans	-68.5	-43.9	178.1	-71.3	-165.8	-121.9	0	0	112.1	V452 R456 N484 N489 M490	V452-E486 HydrophobicContact CG1-CB 4.06Å; R456-E486 IonicContact CZ-OE2 2.73Å; R456-E486 IonicContact NH2-OE2 3.24Å; R456-E486 PolarHBondContact NH2-OE2 3.02Å; N484-E486 PolarHBondContact O-N 2.81Å; N484-E486 WeakPolarHBondContact OD1-CB 3.41Å; N484-E486 PolarHBondContact OD1-N 3.37Å; N484-E486 VanDerWaalsContact OD1-N 3.09Å; E486-N489 PolarHBondContact O-N 2.87Å; E486-M490 WeakPolarHBondContact O-CB 3.38Å; E486-M490 VanDerWaalsContact O-CG 3.28Å; E486-M490 WeakPolarHBondContact O-CG 3.45Å; E486-M490 PolarHBondContact O-N 2.99Å
487	I	97.1	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-41.3	176.9	-63.2	177.9	0	0	0	110.5	V447 V452 A455 A479 N484 N489 M490 L491	V447-I487 HydrophobicContact CB-CG2 4.49Å; V447-I487 HydrophobicContact CG1-CG2 4.07Å; V447-I487 HydrophobicContact CG2-CG2 3.78Å; V452-I487 HydrophobicContact CG2-CD1 4.27Å; V452-I487 HydrophobicContact CG2-CG1 4.15Å; A455-I487 HydrophobicContact CB-CD1 4.4Å; A455-I487 HydrophobicContact CB-CG1 4.46Å; A479-I487 HydrophobicContact CB-CB 4.09Å; A479-I487 HydrophobicContact CB-CG2 3.6Å; N484-I487 HydrophobicContact CB-CB 4.23Å; N484-I487 HydrophobicContact CB-CD1 4.33Å; N484-I487 HydrophobicContact CB-CG1 4.36Å; N484-I487 WeakPolarHBondContact ND2-CD1 3.25Å; N484-I487 PolarHBondContact O-N 2.98Å; N484-I487 PolarHBondContact OD1-N 1.86Å; I487-N489 PolarHBondContact O-N 2.97Å; I487-M490 HydrophobicContact CB-CE 4.35Å; I487-M490 HydrophobicContact CG1-CE 3.87Å; I487-M490 PolarHBondContact O-N 3.36Å; I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.24Å; I487-L491 WeakPolarHBondContact O-CB 3.22Å; I487-L491 VanDerWaalsContact O-CG 3.27Å; I487-L491 WeakPolarHBondContact O-CG 3.36Å; I487-L491 PolarHBondContact O-N 3.23Å
488	V	97.7	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-50.7	173.1	168	0	0	0	0	110.4	L476 A479 A480 N484 L491 L492 V521 L525	L476-V488 HydrophobicContact CD1-CB 4.44Å; L476-V488 HydrophobicContact CD1-CG1 4.16Å; L476-V488 HydrophobicContact CD1-CG2 4.27Å; A479-V488 HydrophobicContact CB-CG2 3.74Å; A480-V488 HydrophobicContact CB-CG2 4.5Å; N484-V488 WeakPolarHBondContact O-CG2 3.41Å; N484-V488 PolarHBondContact O-N 2.84Å; V488-L491 PolarHBondContact O-N 3.49Å; V488-L492 HydrophobicContact CG1-CD1 3.56Å; V488-L492 HydrophobicContact CG1-CG 4.45Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 WeakPolarHBondContact O-CD1 3.29Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.94Å; V488-V521 HydrophobicContact CG1-CG1 4.4Å; V488-V521 HydrophobicContact CG2-CG1 4.06Å; V488-V521 HydrophobicContact CG2-CG2 4.17Å; V488-L525 HydrophobicContact CG1-CD2 4.38Å
489	N	97	Very high	95.6	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-48	178.9	-70.2	-2.6	0	0	0	111.9	L485 E486 I487 L491 L492 E493 S524	L485-N489 VanDerWaalsContact O-CB 3.29Å; L485-N489 WeakPolarHBondContact O-CB 3.44Å; L485-N489 PolarHBondContact O-N 2.88Å; L485-N489 PolarHBondContact O-OD1 3.14Å; E486-N489 PolarHBondContact O-N 2.87Å; I487-N489 PolarHBondContact O-N 2.97Å; N489-L491 VanDerWaalsContact C-N 3.34Å; N489-L491 PolarHBondContact O-N 3.06Å; N489-L492 PolarHBondContact O-N 3Å; N489-E493 VanDerWaalsContact O-CB 3.29Å; N489-E493 WeakPolarHBondContact O-CB 3.46Å; N489-E493 WeakPolarHBondContact O-CG 3.49Å; N489-E493 PolarHBondContact O-N 2.94Å; N489-S524 PolarHBondContact OD1-OG 3.39Å
490	M	96.3	Very high	95.5	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-40.2	178.3	-74.7	-172.9	-63	0	0	113.3	V452 A455 R456 I459 E486 I487	V452-M490 HydrophobicContact CG1-CE 3.9Å; A455-M490 HydrophobicContact CB-CE 4.42Å; R456-M490 HydrophobicContact CB-CE 4.21Å; R456-M490 HydrophobicContact CB-SD 3.48Å; R456-M490 WeakPolarHBondContact CB-SD 3.2Å; R456-M490 HydrophobicContact CG-SD 3.51Å; R456-M490 VanDerWaalsContact CG-SD 3.51Å; R456-M490 PolarHBondContact NH1-SD 3.26Å; I459-M490 HydrophobicContact CD1-CB 4.2Å; E486-M490 WeakPolarHBondContact O-CB 3.38Å; E486-M490 VanDerWaalsContact O-CG 3.28Å; E486-M490 WeakPolarHBondContact O-CG 3.45Å; E486-M490 PolarHBondContact O-N 2.99Å; I487-M490 HydrophobicContact CB-CE 4.35Å; I487-M490 HydrophobicContact CG1-CE 3.87Å; I487-M490 PolarHBondContact O-N 3.36Å
491	L	95.8	Very high	95.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-46.3	177	-71.8	172.5	0	0	0	110.8	I459 V465 L476 A479 I487 V488 N489 T494 V497	I459-L491 HydrophobicContact CD1-CD2 4.02Å; V465-L491 HydrophobicContact CB-CD2 3.85Å; V465-L491 HydrophobicContact CG1-CD2 3.72Å; L476-L491 HydrophobicContact CB-CD1 4.4Å; L476-L491 HydrophobicContact CD1-CB 4.45Å; L476-L491 HydrophobicContact CD1-CD1 4.4Å; A479-L491 HydrophobicContact CB-CD1 4.1Å; I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.24Å; I487-L491 WeakPolarHBondContact O-CB 3.22Å; I487-L491 VanDerWaalsContact O-CG 3.27Å; I487-L491 WeakPolarHBondContact O-CG 3.36Å; I487-L491 PolarHBondContact O-N 3.23Å; V488-L491 PolarHBondContact O-N 3.49Å; N489-L491 VanDerWaalsContact C-N 3.34Å; N489-L491 PolarHBondContact O-N 3.06Å; L491-T494 PolarHBondContact O-N 3.13Å; L491-T494 PolarHBondContact O-OG1 2.94Å; L491-V497 HydrophobicContact CB-CG2 4.35Å
492	L	95.1	Very high	95.5	Very high	8 Å²	8	48 Å²	48	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-31.8	179.6	-66	168.6	0	0	0	112.7	L476 V488 N489 T494 G495 V499 L525 R528	L476-L492 HydrophobicContact CD1-CD2 4.31Å; L476-L492 HydrophobicContact CD1-CG 4.19Å; L476-L492 HydrophobicContact CD2-CD2 3.86Å; V488-L492 HydrophobicContact CG1-CD1 3.56Å; V488-L492 HydrophobicContact CG1-CG 4.45Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 WeakPolarHBondContact O-CD1 3.29Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.94Å; N489-L492 PolarHBondContact O-N 3Å; L492-T494 PolarHBondContact O-N 3.44Å; L492-G495 PolarHBondContact O-N 3.39Å; L492-V499 HydrophobicContact CD2-CB 4.47Å; L492-V499 HydrophobicContact CD2-CG1 4.26Å; L492-V499 HydrophobicContact CD2-CG2 3.71Å; L492-L525 HydrophobicContact CD1-CD2 4.09Å; L492-R528 HydrophobicContact CB-CG 4.29Å; L492-R528 HydrophobicContact CD1-CB 4.49Å; L492-R528 HydrophobicContact CD1-CG 4.01Å; L492-R528 HydrophobicContact CD2-CB 4.45Å; L492-R528 PolarHBondContact O-NH1 2.75Å
493	E	94.6	Very high	95.4	Very high	128 Å²	128	44.8 Å²	44.8	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-63.8	-19.9	175.9	-80.2	163.1	-159.6	0	0	113.5	N489 G495	N489-E493 VanDerWaalsContact O-CB 3.29Å; N489-E493 WeakPolarHBondContact O-CB 3.46Å; N489-E493 WeakPolarHBondContact O-CG 3.49Å; N489-E493 PolarHBondContact O-N 2.94Å; E493-G495 VanDerWaalsContact C-N 3.27Å; E493-G495 PolarHBondContact O-N 3.09Å
494	T	92.2	Very high	95.4	Very high	42 Å²	42	47.9 Å²	47.9	26%	0.258	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.9	174.1	68.4	0	0	0	0	114.1	I459 V465 L491 L492 Q496	I459-T494 HydrophobicContact CG2-CG2 4.02Å; V465-T494 HydrophobicContact CG1-CG2 4.01Å; V465-T494 HydrophobicContact CG2-CG2 4.22Å; L491-T494 PolarHBondContact O-N 3.13Å; L491-T494 PolarHBondContact O-OG1 2.94Å; L492-T494 PolarHBondContact O-N 3.44Å; T494-Q496 PolarHBondContact O-N 2.89Å; T494-Q496 PolarHBondContact OG1-N 3.15Å
495	G	89.2	Confident	95.3	Very high	73 Å²	73	48.4 Å²	48.4	75%	0.753	27%	0.274	S	S	*	.	S	Bend	trans	65.7	5.5	-171.1	0	0	0	0	0	115.4	L492 E493	L492-G495 PolarHBondContact O-N 3.39Å; E493-G495 VanDerWaalsContact C-N 3.27Å; E493-G495 PolarHBondContact O-N 3.09Å
496	Q	91.5	Very high	95.3	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	26%	0.262	S	S	*	.			trans	-101.5	-10	-177.3	-64	178.6	13.1	0	0	113.8	V465 Y466 T494	V465-Q496 HydrophobicContact CG2-CB 3.9Å; Y466-Q496 HydrophobicContact CD1-CB 4.2Å; T494-Q496 PolarHBondContact O-N 2.89Å; T494-Q496 PolarHBondContact OG1-N 3.15Å
497	V	94.3	Very high	95.3	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.097	25%	0.245	C	C	.	.	S	Bend	trans	-98.7	123.5	-174.8	-177.1	0	0	0	0	109.6	V465 L476 L491 V499	V465-V497 HydrophobicContact CB-CG2 3.69Å; V465-V497 HydrophobicContact CG2-CG2 3.55Å; L476-V497 HydrophobicContact CB-CG1 3.89Å; L476-V497 HydrophobicContact CD2-CG1 3.74Å; L476-V497 HydrophobicContact CG-CG1 4.38Å; L491-V497 HydrophobicContact CB-CG2 4.35Å; V497-V499 PolarHBondContact O-N 3.13Å
498	D	94.9	Very high	95.3	Very high	97 Å²	97	42.8 Å²	42.8	52%	0.519	25%	0.246	S	C	.	.			trans	-67.8	121.1	169.3	179.2	11.4	0	0	0	110.2	N500 A501	D498-N500 VanDerWaalsContact C-N 3.27Å; D498-N500 PolarHBondContact OD1-N 2.86Å; D498-A501 HydrophobicContact CB-CB 4.12Å; D498-A501 PolarHBondContact OD1-N 3.07Å; D498-A501 WeakPolarHBondContact OD2-CA 3.39Å; D498-A501 PolarHBondContact OD2-N 3.37Å
499	V	96.7	Very high	95.3	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.103	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.3	179.8	-163.6	0	0	0	0	111.3	L492 V497 L525 R528 A530	L492-V499 HydrophobicContact CD2-CB 4.47Å; L492-V499 HydrophobicContact CD2-CG1 4.26Å; L492-V499 HydrophobicContact CD2-CG2 3.71Å; V497-V499 PolarHBondContact O-N 3.13Å; V499-L525 HydrophobicContact CG1-CB 4.49Å; V499-L525 HydrophobicContact CG1-CD2 3.75Å; V499-R528 HydrophobicContact CG2-CB 4.28Å; V499-A530 HydrophobicContact CG1-CB 3.8Å
500	N	96.8	Very high	95.4	Very high	42 Å²	42	40.6 Å²	40.6	23%	0.225	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	8.3	-172.1	-68.6	-40.1	0	0	0	113.1	D498 Q502 G529 A530 D531 I534	D498-N500 VanDerWaalsContact C-N 3.27Å; D498-N500 PolarHBondContact OD1-N 2.86Å; N500-Q502 PolarHBondContact O-N 3.02Å; N500-G529 PolarHBondContact ND2-O 3.11Å; N500-A530 VanDerWaalsContact OD1-CA 3.31Å; N500-A530 WeakPolarHBondContact OD1-CA 3.49Å; N500-D531 PolarHBondContact OD1-N 3.45Å; N500-I534 HydrophobicContact CB-CD1 3.64Å
501	A	96.2	Very high	95.4	Very high	20 Å²	20	39.9 Å²	39.9	17%	0.165	23%	0.231	C	C	.	.			trans	-52.7	136.1	174.3	0	0	0	0	0	110.8	T474 H477 D498 P509	T474-A501 HydrophobicContact CG2-CB 4.39Å; H477-A501 PolarHBondContact CE1-O 3.37Å; H477-A501 PolarHBondContact NE2-O 3Å; D498-A501 HydrophobicContact CB-CB 4.12Å; D498-A501 PolarHBondContact OD1-N 3.07Å; D498-A501 WeakPolarHBondContact OD2-CA 3.39Å; D498-A501 PolarHBondContact OD2-N 3.37Å; A501-P509 WeakPolarHBondContact O-CD 3.38Å
502	Q	96.8	Very high	95.5	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.463	23%	0.234	S	C	.	.			trans	-107.6	135.4	179.8	-64.8	-174.6	-85.4	0	0	111.1	N500 G506 W507 T508 I534 K535	N500-Q502 PolarHBondContact O-N 3.02Å; Q502-G506 PolarHBondContact NE2-O 3.29Å; Q502-W507 WeakPolarHBondContact CA-O 3.32Å; Q502-T508 HydrophobicContact CG-CG2 3.83Å; Q502-I534 HydrophobicContact CG-CG2 4.14Å; Q502-K535 PolarHBondContact NE2-O 2.91Å
503	D	95.7	Very high	95.6	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	23%	0.232	C	C	.	.			trans	-78.4	-176.3	171.7	68.7	23.1	0	0	0	113.1	Y473 H477 G505 G506 W507 W512	Y473-D503 HydrophobicContact CD2-CB 4.08Å; Y473-D503 HydrophobicContact CE2-CB 4.37Å; H477-D503 IonicContact CD2-OD2 3.15Å; D503-G505 PolarHBondContact O-N 2.75Å; D503-G505 VanDerWaalsContact O-N 3.14Å; D503-G505 VanDerWaalsContact OD1-CA 3.28Å; D503-G505 WeakPolarHBondContact OD1-CA 3.48Å; D503-G505 PolarHBondContact OD1-N 3.41Å; D503-G506 WeakPolarHBondContact O-CA 3.45Å; D503-G506 PolarHBondContact O-N 3Å; D503-G506 PolarHBondContact OD1-N 3.23Å; D503-W507 PolarHBondContact N-O 3.33Å; D503-W507 PolarHBondContact OD1-N 3.36Å; D503-W512 PolarHBondContact OD2-NE1 3.44Å
504	N	94.8	Very high	95.7	Very high	87 Å²	87	34.3 Å²	34.3	47%	0.465	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.8	178.3	-79.6	-11.7	0	0	0	114.4	E470 D471 K537	E470-N504 PolarHBondContact O-ND2 2.75Å; D471-N504 VanDerWaalsContact C-CG 3.46Å; D471-N504 VanDerWaalsContact CA-ND2 3.31Å; D471-N504 WeakPolarHBondContact CA-ND2 3.38Å; D471-N504 VanDerWaalsContact O-CB 3.26Å; D471-N504 WeakPolarHBondContact O-CB 3.34Å; D471-N504 PolarHBondContact O-N 2.59Å; N504-K537 WeakPolarHBondContact O-CD 3.28Å; N504-K537 WeakPolarHBondContact O-CE 3.45Å; N504-K537 PolarHBondContact O-NZ 3.38Å
505	G	94.7	Very high	95.9	Very high	30 Å²	30	34.9 Å²	34.9	31%	0.309	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.2	166.9	0	0	0	0	0	113.4	D503 W507 K537	D503-G505 PolarHBondContact O-N 2.75Å; D503-G505 VanDerWaalsContact O-N 3.14Å; D503-G505 VanDerWaalsContact OD1-CA 3.28Å; D503-G505 WeakPolarHBondContact OD1-CA 3.48Å; D503-G505 PolarHBondContact OD1-N 3.41Å; G505-W507 VanDerWaalsContact C-N 3.31Å; G505-K537 WeakPolarHBondContact O-CB 3.35Å; G505-K537 WeakPolarHBondContact O-CG 3.2Å; G505-K537 PolarHBondContact O-N 3.3Å
506	G	96.3	Very high	96.2	Very high	7 Å²	7	34.9 Å²	34.9	7%	0.072	18%	0.183	C	C	.	.	S	Bend	trans	82	9.1	-165.7	0	0	0	0	0	112.8	Q502 D503	Q502-G506 PolarHBondContact NE2-O 3.29Å; D503-G506 WeakPolarHBondContact O-CA 3.45Å; D503-G506 PolarHBondContact O-N 3Å; D503-G506 PolarHBondContact OD1-N 3.23Å
507	W	97.6	Very high	96.5	Very high	39 Å²	39	34 Å²	34	15%	0.148	18%	0.178	C	C	.	.			trans	-83.5	142.1	-176.3	-67.2	27.3	0	0	0	109.8	H477 Q502 D503 G505 I511 W512 D536 W545	H477-W507 PolarHBondContact NE2-O 3.39Å; H477-W507 VanDerWaalsContact NE2-O 3.14Å; Q502-W507 WeakPolarHBondContact CA-O 3.32Å; D503-W507 PolarHBondContact N-O 3.33Å; D503-W507 PolarHBondContact OD1-N 3.36Å; G505-W507 VanDerWaalsContact C-N 3.31Å; W507-I511 HydrophobicContact CB-CB 4.45Å; W507-I511 HydrophobicContact CB-CG2 4.09Å; W507-I511 HydrophobicContact CD2-CG2 3.72Å; W507-I511 HydrophobicContact CE3-CG2 3.62Å; W507-I511 HydrophobicContact CG-CG2 3.93Å; W507-I511 HydrophobicContact CZ3-CG2 4.32Å; W507-W512 HydrophobicContact CD2-CH2 4.44Å; W507-W512 HydrophobicContact CD2-CZ2 4.05Å; W507-W512 AromaticContact CE3-CD2 3.62Å; W507-W512 HydrophobicContact CE3-CD2 3.62Å; W507-W512 AromaticContact CE3-CE2 3.4Å; W507-W512 VanDerWaalsContact CE3-CE2 3.4Å; W507-W512 AromaticContact CE3-CE3 3.81Å; W507-W512 HydrophobicContact CE3-CE3 3.81Å; W507-W512 HydrophobicContact CE3-CG 4.22Å; W507-W512 AromaticContact CE3-CH2 3.58Å; W507-W512 HydrophobicContact CE3-CH2 3.58Å; W507-W512 AromaticContact CE3-CZ2 3.41Å; W507-W512 HydrophobicContact CE3-CZ2 3.41Å; W507-W512 VanDerWaalsContact CE3-CZ2 3.41Å; W507-W512 AromaticContact CE3-CZ3 3.77Å; W507-W512 HydrophobicContact CE3-CZ3 3.77Å; W507-W512 AromaticContact CE3-NE1 3.92Å; W507-W512 HydrophobicContact CH2-CH2 4.18Å; W507-W512 HydrophobicContact CH2-CZ3 4.29Å; W507-W512 HydrophobicContact CZ3-CD2 4.03Å; W507-W512 AromaticContact CZ3-CE3 3.69Å; W507-W512 HydrophobicContact CZ3-CE3 3.69Å; W507-W512 AromaticContact CZ3-CH2 3.43Å; W507-W512 HydrophobicContact CZ3-CH2 3.43Å; W507-W512 VanDerWaalsContact CZ3-CH2 3.43Å; W507-W512 AromaticContact CZ3-CZ2 3.81Å; W507-W512 HydrophobicContact CZ3-CZ2 3.81Å; W507-W512 AromaticContact CZ3-CZ3 3.36Å; W507-W512 HydrophobicContact CZ3-CZ3 3.36Å; W507-D536 VanDerWaalsContact CD1-CB 3.44Å; W507-D536 HydrophobicContact CG-CB 4.47Å; W507-D536 PolarHBondContact NE1-OD2 2.9Å; W507-W545 AromaticContact CE2-CZ2 3.79Å; W507-W545 HydrophobicContact CH2-CD2 4.42Å; W507-W545 HydrophobicContact CH2-CE3 4.17Å; W507-W545 AromaticContact CH2-CH2 3.6Å; W507-W545 HydrophobicContact CH2-CH2 3.6Å; W507-W545 AromaticContact CH2-CZ2 3.84Å; W507-W545 HydrophobicContact CH2-CZ2 3.84Å; W507-W545 AromaticContact CH2-CZ3 3.76Å; W507-W545 HydrophobicContact CH2-CZ3 3.76Å; W507-W545 HydrophobicContact CZ2-CD2 4.48Å; W507-W545 AromaticContact CZ2-CE2 3.82Å; W507-W545 AromaticContact CZ2-CH2 3.34Å; W507-W545 HydrophobicContact CZ2-CH2 3.34Å; W507-W545 AromaticContact CZ2-CZ2 3.23Å; W507-W545 HydrophobicContact CZ2-CZ2 3.23Å; W507-W545 AromaticContact CZ2-CZ3 4Å; W507-W545 HydrophobicContact CZ2-CZ3 4Å
508	T	97.6	Very high	96.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.185	C	C	.	.			trans	-99.9	164.8	174.9	56.2	0	0	0	0	110.9	Q502 I510 I511 W512 I534	Q502-T508 HydrophobicContact CG-CG2 3.83Å; T508-I510 PolarHBondContact O-N 2.92Å; T508-I510 VanDerWaalsContact O-N 3.17Å; T508-I510 VanDerWaalsContact OG1-CG2 3.22Å; T508-I510 WeakPolarHBondContact OG1-CG2 3.44Å; T508-I511 WeakPolarHBondContact O-CB 3.15Å; T508-I511 PolarHBondContact O-N 3.29Å; T508-W512 PolarHBondContact O-N 3Å; T508-W512 VanDerWaalsContact O-N 3.11Å; T508-I534 HydrophobicContact CG2-CB 4.3Å; T508-I534 HydrophobicContact CG2-CD1 4.19Å; T508-I534 HydrophobicContact CG2-CG2 3.73Å
509	P	97.9	Very high	96.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.1	-32.6	174.5	-27.7	35.1	0	0	0	114.1	L476 A480 A501 A513 L525	L476-P509 HydrophobicContact CB-CG 4.23Å; L476-P509 HydrophobicContact CD2-CB 4.24Å; L476-P509 HydrophobicContact CD2-CG 3.9Å; L476-P509 HydrophobicContact CG-CB 3.9Å; L476-P509 HydrophobicContact CG-CG 3.82Å; A480-P509 HydrophobicContact CB-CB 3.93Å; A480-P509 VanDerWaalsContact CB-O 3.29Å; A480-P509 WeakPolarHBondContact CB-O 3.32Å; A501-P509 WeakPolarHBondContact O-CD 3.38Å; P509-A513 WeakPolarHBondContact O-CB 3.48Å; P509-A513 PolarHBondContact O-N 3.07Å; P509-L525 HydrophobicContact CB-CD1 4.25Å; P509-L525 HydrophobicContact CB-CD2 4.35Å
510	I	97.8	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-72	-33.9	177.4	-171.5	164.6	0	0	0	112.3	T508 A513 A514 I522 L525 L526 A530 V532	T508-I510 PolarHBondContact O-N 2.92Å; T508-I510 VanDerWaalsContact O-N 3.17Å; T508-I510 VanDerWaalsContact OG1-CG2 3.22Å; T508-I510 WeakPolarHBondContact OG1-CG2 3.44Å; I510-A513 PolarHBondContact O-N 2.7Å; I510-A514 WeakPolarHBondContact O-CB 3.5Å; I510-A514 PolarHBondContact O-N 3.01Å; I510-I522 HydrophobicContact CD1-CG2 4.04Å; I510-I522 HydrophobicContact CG1-CG1 4.35Å; I510-I522 HydrophobicContact CG1-CG2 4.17Å; I510-L525 HydrophobicContact CB-CD1 3.98Å; I510-L526 HydrophobicContact CD1-CD2 3.7Å; I510-L526 HydrophobicContact CD1-CG 3.9Å; I510-A530 HydrophobicContact CB-CB 4.32Å; I510-A530 HydrophobicContact CD1-CB 3.82Å; I510-A530 HydrophobicContact CG2-CB 4.35Å; I510-V532 HydrophobicContact CD1-CG1 3.86Å
511	I	97.5	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-48.2	171.6	-72.2	170.6	0	0	0	110.5	W507 T508 A513 A514 E515 C542 W545	W507-I511 HydrophobicContact CB-CB 4.45Å; W507-I511 HydrophobicContact CB-CG2 4.09Å; W507-I511 HydrophobicContact CD2-CG2 3.72Å; W507-I511 HydrophobicContact CE3-CG2 3.62Å; W507-I511 HydrophobicContact CG-CG2 3.93Å; W507-I511 HydrophobicContact CZ3-CG2 4.32Å; T508-I511 WeakPolarHBondContact O-CB 3.15Å; T508-I511 PolarHBondContact O-N 3.29Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 3.29Å; I511-A514 WeakPolarHBondContact O-CB 3.24Å; I511-A514 PolarHBondContact O-N 3.35Å; I511-E515 PolarHBondContact O-N 2.69Å; I511-C542 HydrophobicContact CG1-CB 4.15Å; I511-W545 HydrophobicContact CG2-CB 4.4Å; I511-W545 VanDerWaalsContact CG2-CD1 3.47Å; I511-W545 HydrophobicContact CG2-CD2 4.34Å; I511-W545 HydrophobicContact CG2-CG 3.81Å
512	W	97.5	Very high	96.8	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.08	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-40.1	176	-80.8	109	0	0	0	112.8	Y473 H477 K481 D503 W507 T508 E515 H516	Y473-W512 HydrophobicContact CE1-CZ2 4.19Å; Y473-W512 AromaticContact CZ-CZ2 3.73Å; Y473-W512 WeakPolarHBondContact OH-CH2 3.33Å; Y473-W512 WeakPolarHBondContact OH-CZ2 3.42Å; H477-W512 AromaticContact CD2-CD1 3.63Å; H477-W512 AromaticContact CD2-NE1 3.82Å; K481-W512 HydrophobicContact CB-CB 4.19Å; K481-W512 HydrophobicContact CD-CD2 4Å; K481-W512 HydrophobicContact CD-CE3 3.56Å; K481-W512 HydrophobicContact CD-CZ3 3.96Å; K481-W512 HydrophobicContact CG-CD2 4.43Å; K481-W512 HydrophobicContact CG-CE3 3.9Å; D503-W512 PolarHBondContact OD2-NE1 3.44Å; W507-W512 HydrophobicContact CD2-CH2 4.44Å; W507-W512 HydrophobicContact CD2-CZ2 4.05Å; W507-W512 AromaticContact CE3-CD2 3.62Å; W507-W512 HydrophobicContact CE3-CD2 3.62Å; W507-W512 AromaticContact CE3-CE2 3.4Å; W507-W512 VanDerWaalsContact CE3-CE2 3.4Å; W507-W512 AromaticContact CE3-CE3 3.81Å; W507-W512 HydrophobicContact CE3-CE3 3.81Å; W507-W512 HydrophobicContact CE3-CG 4.22Å; W507-W512 AromaticContact CE3-CH2 3.58Å; W507-W512 HydrophobicContact CE3-CH2 3.58Å; W507-W512 AromaticContact CE3-CZ2 3.41Å; W507-W512 HydrophobicContact CE3-CZ2 3.41Å; W507-W512 VanDerWaalsContact CE3-CZ2 3.41Å; W507-W512 AromaticContact CE3-CZ3 3.77Å; W507-W512 HydrophobicContact CE3-CZ3 3.77Å; W507-W512 AromaticContact CE3-NE1 3.92Å; W507-W512 HydrophobicContact CH2-CH2 4.18Å; W507-W512 HydrophobicContact CH2-CZ3 4.29Å; W507-W512 HydrophobicContact CZ3-CD2 4.03Å; W507-W512 AromaticContact CZ3-CE3 3.69Å; W507-W512 HydrophobicContact CZ3-CE3 3.69Å; W507-W512 AromaticContact CZ3-CH2 3.43Å; W507-W512 HydrophobicContact CZ3-CH2 3.43Å; W507-W512 VanDerWaalsContact CZ3-CH2 3.43Å; W507-W512 AromaticContact CZ3-CZ2 3.81Å; W507-W512 HydrophobicContact CZ3-CZ2 3.81Å; W507-W512 AromaticContact CZ3-CZ3 3.36Å; W507-W512 HydrophobicContact CZ3-CZ3 3.36Å; T508-W512 PolarHBondContact O-N 3Å; T508-W512 VanDerWaalsContact O-N 3.11Å; W512-E515 WeakPolarHBondContact CZ3-OE2 3.29Å; W512-H516 AromaticContact CE3-CE1 3.93Å; W512-H516 WeakPolarHBondContact O-CB 3.45Å; W512-H516 PolarHBondContact O-N 3.07Å; W512-H516 PolarHBondContact O-ND1 3.12Å
513	A	97.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.2	-32.4	174.6	0	0	0	0	0	113	A480 P509 I510 I511 K517 H518 V521 I522 L525	A480-A513 HydrophobicContact CB-CB 4.3Å; P509-A513 WeakPolarHBondContact O-CB 3.48Å; P509-A513 PolarHBondContact O-N 3.07Å; I510-A513 PolarHBondContact O-N 2.7Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 3.29Å; A513-K517 PolarHBondContact O-N 3.34Å; A513-K517 VanDerWaalsContact O-N 3.07Å; A513-H518 HydrophobicContact CB-CB 4.3Å; A513-H518 PolarHBondContact O-N 2.89Å; A513-V521 HydrophobicContact CB-CB 4.33Å; A513-V521 HydrophobicContact CB-CG1 3.71Å; A513-I522 HydrophobicContact CB-CD1 4.13Å; A513-I522 HydrophobicContact CB-CG1 3.58Å; A513-L525 HydrophobicContact CB-CD1 4.44Å
514	A	96.6	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70	-50.4	179.2	0	0	0	0	0	112.2	I510 I511 H516 K517 I522 W545 A549 I554	I510-A514 WeakPolarHBondContact O-CB 3.5Å; I510-A514 PolarHBondContact O-N 3.01Å; I511-A514 WeakPolarHBondContact O-CB 3.24Å; I511-A514 PolarHBondContact O-N 3.35Å; A514-H516 VanDerWaalsContact C-N 3.31Å; A514-H516 PolarHBondContact O-N 3.43Å; A514-K517 PolarHBondContact O-N 3.18Å; A514-K517 VanDerWaalsContact O-N 3.12Å; A514-I522 HydrophobicContact CB-CD1 4.02Å; A514-W545 HydrophobicContact CB-CB 4.37Å; A514-A549 WeakPolarHBondContact O-CB 3.33Å; A514-I554 HydrophobicContact CB-CG2 4.03Å
515	E	96.4	Very high	97	Very high	53 Å²	53	29.7 Å²	29.7	25%	0.248	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-46.9	174.7	-174.3	-156.1	-158.9	0	0	111.1	I511 W512 K517 W545	I511-E515 PolarHBondContact O-N 2.69Å; W512-E515 WeakPolarHBondContact CZ3-OE2 3.29Å; E515-K517 VanDerWaalsContact C-N 3.25Å; E515-K517 PolarHBondContact O-N 2.72Å; E515-W545 HydrophobicContact CB-CE3 4.45Å; E515-W545 HydrophobicContact CG-CE3 4.35Å
516	H	95.7	Very high	97.1	Very high	73 Å²	73	30 Å²	30	34%	0.338	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.4	-178.5	-70.4	55.8	0	0	0	114.3	K481 W512 A514 H518	K481-H516 WeakPolarHBondContact CG-NE2 3.18Å; K481-H516 PolarHBondContact O-CD2 3Å; K481-H516 VanDerWaalsContact O-CD2 3.23Å; W512-H516 AromaticContact CE3-CE1 3.93Å; W512-H516 WeakPolarHBondContact O-CB 3.45Å; W512-H516 PolarHBondContact O-N 3.07Å; W512-H516 PolarHBondContact O-ND1 3.12Å; A514-H516 VanDerWaalsContact C-N 3.31Å; A514-H516 PolarHBondContact O-N 3.43Å; H516-H518 VanDerWaalsContact CB-CD2 3.46Å; H516-H518 WeakPolarHBondContact CB-CD2 3.43Å; H516-H518 WeakPolarHBondContact CB-NE2 3.44Å; H516-H518 PolarHBondContact O-N 3.01Å
517	K	96.8	Very high	97	Very high	103 Å²	103	36.1 Å²	36.1	45%	0.448	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	25.4	171.5	-48.1	-168	-163.9	-159.2	0	116.3	A513 A514 E515 V519 A549 I554	A513-K517 PolarHBondContact O-N 3.34Å; A513-K517 VanDerWaalsContact O-N 3.07Å; A514-K517 PolarHBondContact O-N 3.18Å; A514-K517 VanDerWaalsContact O-N 3.12Å; E515-K517 VanDerWaalsContact C-N 3.25Å; E515-K517 PolarHBondContact O-N 2.72Å; K517-V519 PolarHBondContact O-N 2.75Å; K517-A549 WeakPolarHBondContact CE-O 3.44Å; K517-A549 HydrophobicContact CG-CB 4.12Å; K517-A549 PolarHBondContact NZ-O 3.48Å; K517-I554 HydrophobicContact CB-CD1 4.47Å
518	H	97.6	Very high	96.9	Very high	54 Å²	54	39.3 Å²	39.3	25%	0.25	18%	0.184	C	C	.	.			trans	-86	68.3	-173.1	-62.3	-53.6	0	0	0	114.2	A480 K481 G483 A513 H516 Q520 V521 I522	A480-H518 PolarHBondContact O-CD2 3.34Å; K481-H518 PolarHBondContact O-CD2 3Å; K481-H518 PolarHBondContact O-NE2 2.8Å; G483-H518 WeakPolarHBondContact CA-CD2 3.25Å; G483-H518 WeakPolarHBondContact CA-ND1 3.29Å; G483-H518 WeakPolarHBondContact CA-NE2 3.5Å; G483-H518 PolarHBondContact N-CD2 2.91Å; G483-H518 PolarHBondContact N-NE2 2.7Å; A513-H518 HydrophobicContact CB-CB 4.3Å; A513-H518 PolarHBondContact O-N 2.89Å; H516-H518 VanDerWaalsContact CB-CD2 3.46Å; H516-H518 WeakPolarHBondContact CB-CD2 3.43Å; H516-H518 WeakPolarHBondContact CB-NE2 3.44Å; H516-H518 PolarHBondContact O-N 3.01Å; H518-Q520 VanDerWaalsContact C-N 3.27Å; H518-Q520 PolarHBondContact O-N 2.66Å; H518-V521 HydrophobicContact CB-CB 4.03Å; H518-V521 HydrophobicContact CB-CG2 4.25Å; H518-V521 WeakPolarHBondContact O-CB 3.39Å; H518-V521 PolarHBondContact O-N 2.85Å; H518-I522 PolarHBondContact O-N 3.39Å
519	V	96.6	Very high	96.6	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-43.1	-45.8	-176.9	-175.1	0	0	0	0	114.1	K517 I522 K523 D553 I554 L557	K517-V519 PolarHBondContact O-N 2.75Å; V519-I522 PolarHBondContact O-N 2.9Å; V519-K523 WeakPolarHBondContact O-CG 3.39Å; V519-K523 PolarHBondContact O-N 3.31Å; V519-K523 VanDerWaalsContact O-N 3.11Å; V519-D553 HydrophobicContact CG1-CB 4.12Å; V519-D553 HydrophobicContact CG2-CB 4.02Å; V519-I554 HydrophobicContact CG2-CD1 4.18Å; V519-I554 HydrophobicContact CG2-CG1 3.86Å; V519-L557 HydrophobicContact CG1-CD1 3.84Å
520	Q	97.1	Very high	96.6	Very high	114 Å²	114	42.1 Å²	42.1	53%	0.533	21%	0.213	S	C	.	.	H	α-helix	trans	-74.4	-32.3	-175.4	-54.4	-63.9	-3.2	0	0	113.1	L485 H518 I522 K523 S524	L485-Q520 HydrophobicContact CD2-CB 4.11Å; H518-Q520 VanDerWaalsContact C-N 3.27Å; H518-Q520 PolarHBondContact O-N 2.66Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; Q520-K523 PolarHBondContact O-N 2.85Å; Q520-S524 PolarHBondContact O-N 3.01Å; Q520-S524 VanDerWaalsContact O-N 3.14Å
521	V	97.8	Very high	96.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-43.4	172.2	163.7	0	0	0	0	109.9	A480 L485 V488 A513 H518 K523 S524 L525	A480-V521 HydrophobicContact CB-CG1 3.94Å; L485-V521 HydrophobicContact CB-CG2 4.41Å; V488-V521 HydrophobicContact CG1-CG1 4.4Å; V488-V521 HydrophobicContact CG2-CG1 4.06Å; V488-V521 HydrophobicContact CG2-CG2 4.17Å; A513-V521 HydrophobicContact CB-CB 4.33Å; A513-V521 HydrophobicContact CB-CG1 3.71Å; H518-V521 HydrophobicContact CB-CB 4.03Å; H518-V521 HydrophobicContact CB-CG2 4.25Å; H518-V521 WeakPolarHBondContact O-CB 3.39Å; H518-V521 PolarHBondContact O-N 2.85Å; V521-K523 PolarHBondContact O-N 3.24Å; V521-S524 PolarHBondContact O-N 3.06Å; V521-S524 VanDerWaalsContact O-N 3.08Å; V521-L525 HydrophobicContact CG1-CD1 3.67Å; V521-L525 HydrophobicContact CG1-CG 4.2Å; V521-L525 WeakPolarHBondContact O-CG 3.38Å; V521-L525 PolarHBondContact O-N 3.41Å
522	I	97.1	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-43.3	178.2	-64.6	178.6	0	0	0	111.1	I510 A513 A514 H518 V519 Q520 S524 L525 L526 I554	I510-I522 HydrophobicContact CD1-CG2 4.04Å; I510-I522 HydrophobicContact CG1-CG1 4.35Å; I510-I522 HydrophobicContact CG1-CG2 4.17Å; A513-I522 HydrophobicContact CB-CD1 4.13Å; A513-I522 HydrophobicContact CB-CG1 3.58Å; A514-I522 HydrophobicContact CB-CD1 4.02Å; H518-I522 PolarHBondContact O-N 3.39Å; V519-I522 PolarHBondContact O-N 2.9Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; I522-S524 VanDerWaalsContact C-N 3.31Å; I522-S524 PolarHBondContact O-N 3.28Å; I522-L525 PolarHBondContact O-N 2.72Å; I522-L526 HydrophobicContact CG2-CD1 3.86Å; I522-L526 HydrophobicContact CG2-CG 4.24Å; I522-L526 WeakPolarHBondContact O-CB 3.39Å; I522-L526 VanDerWaalsContact O-CG 3.3Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 3.3Å; I522-I554 HydrophobicContact CD1-CB 4.24Å; I522-I554 HydrophobicContact CD1-CD1 3.68Å; I522-I554 HydrophobicContact CD1-CG1 3.85Å; I522-I554 HydrophobicContact CD1-CG2 3.4Å
523	K	96.7	Very high	96.1	Very high	85 Å²	85	47.9 Å²	47.9	37%	0.37	25%	0.251	S	S	.	.	H	α-helix	trans	-57.7	-42	172.5	-69.9	-178.9	-176.8	-176	0	112.3	V519 Q520 V521 N527 L557	V519-K523 WeakPolarHBondContact O-CG 3.39Å; V519-K523 PolarHBondContact O-N 3.31Å; V519-K523 VanDerWaalsContact O-N 3.11Å; Q520-K523 PolarHBondContact O-N 2.85Å; V521-K523 PolarHBondContact O-N 3.24Å; K523-N527 VanDerWaalsContact O-CB 3.3Å; K523-N527 WeakPolarHBondContact O-CB 3.43Å; K523-N527 PolarHBondContact O-N 2.77Å; K523-N527 PolarHBondContact O-ND2 3.33Å; K523-N527 PolarHBondContact O-OD1 2.99Å; K523-L557 HydrophobicContact CD-CD1 4.35Å; K523-L557 HydrophobicContact CG-CD1 3.82Å; K523-L557 HydrophobicContact CG-CD2 4.15Å
524	S	96.9	Very high	96	Very high	18 Å²	18	49.5 Å²	49.5	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-42.4	177.1	-164.7	0	0	0	0	112.6	N489 Q520 V521 I522 N527 R528	N489-S524 PolarHBondContact OD1-OG 3.39Å; Q520-S524 PolarHBondContact O-N 3.01Å; Q520-S524 VanDerWaalsContact O-N 3.14Å; V521-S524 PolarHBondContact O-N 3.06Å; V521-S524 VanDerWaalsContact O-N 3.08Å; I522-S524 VanDerWaalsContact C-N 3.31Å; I522-S524 PolarHBondContact O-N 3.28Å; S524-N527 PolarHBondContact O-N 2.85Å; S524-R528 WeakPolarHBondContact O-CG 3.5Å; S524-R528 PolarHBondContact O-N 3.13Å
525	L	97.3	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-47.2	177	-70.4	170.1	0	0	0	111.8	L476 A480 V488 L492 V499 P509 I510 A513 V521 I522 N527 R528 G529 A530	L476-L525 HydrophobicContact CD1-CD2 4.29Å; L476-L525 HydrophobicContact CD2-CD2 4.18Å; L476-L525 HydrophobicContact CG-CD2 4.44Å; A480-L525 HydrophobicContact CB-CD1 4.42Å; V488-L525 HydrophobicContact CG1-CD2 4.38Å; L492-L525 HydrophobicContact CD1-CD2 4.09Å; V499-L525 HydrophobicContact CG1-CB 4.49Å; V499-L525 HydrophobicContact CG1-CD2 3.75Å; P509-L525 HydrophobicContact CB-CD1 4.25Å; P509-L525 HydrophobicContact CB-CD2 4.35Å; I510-L525 HydrophobicContact CB-CD1 3.98Å; A513-L525 HydrophobicContact CB-CD1 4.44Å; V521-L525 HydrophobicContact CG1-CD1 3.67Å; V521-L525 HydrophobicContact CG1-CG 4.2Å; V521-L525 WeakPolarHBondContact O-CG 3.38Å; V521-L525 PolarHBondContact O-N 3.41Å; I522-L525 PolarHBondContact O-N 2.72Å; L525-N527 VanDerWaalsContact C-N 3.35Å; L525-N527 PolarHBondContact O-N 3.25Å; L525-R528 CarbonylContact O-C 3.46Å; L525-R528 WeakPolarHBondContact O-CA 3.43Å; L525-R528 PolarHBondContact O-N 2.87Å; L525-G529 PolarHBondContact O-N 3.22Å; L525-A530 VanDerWaalsContact C-CB 3.48Å; L525-A530 HydrophobicContact CB-CB 3.84Å; L525-A530 VanDerWaalsContact O-CB 3.27Å; L525-A530 WeakPolarHBondContact O-CB 3.47Å; L525-A530 PolarHBondContact O-N 2.88Å
526	L	96.2	Very high	96	Very high	36 Å²	36	51.6 Å²	51.6	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-44.6	174.7	-70.9	173	0	0	0	111.5	I510 I522 R528 G529 V532 L557	I510-L526 HydrophobicContact CD1-CD2 3.7Å; I510-L526 HydrophobicContact CD1-CG 3.9Å; I522-L526 HydrophobicContact CG2-CD1 3.86Å; I522-L526 HydrophobicContact CG2-CG 4.24Å; I522-L526 WeakPolarHBondContact O-CB 3.39Å; I522-L526 VanDerWaalsContact O-CG 3.3Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 3.3Å; L526-R528 PolarHBondContact O-N 2.87Å; L526-G529 PolarHBondContact O-N 3.1Å; L526-V532 HydrophobicContact CD2-CG1 3.73Å; L526-L557 HydrophobicContact CD1-CB 4.28Å
527	N	94.8	Very high	96.1	Very high	136 Å²	136	55.5 Å²	55.5	73%	0.727	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.2	175.2	-71.6	-11	0	0	0	114.1	K523 S524 L525	K523-N527 VanDerWaalsContact O-CB 3.3Å; K523-N527 WeakPolarHBondContact O-CB 3.43Å; K523-N527 PolarHBondContact O-N 2.77Å; K523-N527 PolarHBondContact O-ND2 3.33Å; K523-N527 PolarHBondContact O-OD1 2.99Å; S524-N527 PolarHBondContact O-N 2.85Å; L525-N527 VanDerWaalsContact C-N 3.35Å; L525-N527 PolarHBondContact O-N 3.25Å
528	R	94.4	Very high	96	Very high	106 Å²	106	55.6 Å²	55.6	40%	0.4	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	13.3	173.9	-59.7	-57.6	-171	88	10	113.4	L492 V499 S524 L525 L526	L492-R528 HydrophobicContact CB-CG 4.29Å; L492-R528 HydrophobicContact CD1-CB 4.49Å; L492-R528 HydrophobicContact CD1-CG 4.01Å; L492-R528 HydrophobicContact CD2-CB 4.45Å; L492-R528 PolarHBondContact O-NH1 2.75Å; V499-R528 HydrophobicContact CG2-CB 4.28Å; S524-R528 WeakPolarHBondContact O-CG 3.5Å; S524-R528 PolarHBondContact O-N 3.13Å; L525-R528 CarbonylContact O-C 3.46Å; L525-R528 WeakPolarHBondContact O-CA 3.43Å; L525-R528 PolarHBondContact O-N 2.87Å; L526-R528 PolarHBondContact O-N 2.87Å
529	G	92.9	Very high	96	Very high	50 Å²	50	56.4 Å²	56.4	52%	0.515	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	29.9	174.9	0	0	0	0	0	115.1	N500 L525 L526 D531	N500-G529 PolarHBondContact ND2-O 3.11Å; L525-G529 PolarHBondContact O-N 3.22Å; L526-G529 PolarHBondContact O-N 3.1Å; G529-D531 PolarHBondContact O-N 3.29Å
530	A	96.4	Very high	96	Very high	11 Å²	11	55.6 Å²	55.6	9%	0.091	29%	0.286	C	S	.	.			trans	-63.4	125.8	168.7	0	0	0	0	0	111.2	V499 N500 I510 L525	V499-A530 HydrophobicContact CG1-CB 3.8Å; N500-A530 VanDerWaalsContact OD1-CA 3.31Å; N500-A530 WeakPolarHBondContact OD1-CA 3.49Å; I510-A530 HydrophobicContact CB-CB 4.32Å; I510-A530 HydrophobicContact CD1-CB 3.82Å; I510-A530 HydrophobicContact CG2-CB 4.35Å; L525-A530 VanDerWaalsContact C-CB 3.48Å; L525-A530 HydrophobicContact CB-CB 3.84Å; L525-A530 VanDerWaalsContact O-CB 3.27Å; L525-A530 WeakPolarHBondContact O-CB 3.47Å; L525-A530 PolarHBondContact O-N 2.88Å
531	D	95.3	Very high	96	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	26%	0.261	S	S	.	.			trans	-89.8	114.1	179.4	-179.4	1.5	0	0	0	110.6	N500 G529 S533 I534	N500-D531 PolarHBondContact OD1-N 3.45Å; G529-D531 PolarHBondContact O-N 3.29Å; D531-S533 VanDerWaalsContact C-N 3.28Å; D531-S533 VanDerWaalsContact CG-OG 3.3Å; D531-S533 PolarHBondContact O-N 2.79Å; D531-S533 WeakPolarHBondContact OD1-CA 3.32Å; D531-S533 VanDerWaalsContact OD1-CB 3.27Å; D531-S533 WeakPolarHBondContact OD1-CB 3.35Å; D531-S533 PolarHBondContact OD1-N 3.03Å; D531-S533 PolarHBondContact OD1-OG 3.25Å; D531-S533 PolarHBondContact OD2-OG 2.82Å; D531-I534 HydrophobicContact CB-CD1 3.84Å; D531-I534 HydrophobicContact CB-CG1 3.93Å
532	V	95.2	Very high	96	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.6	179.1	-70.9	0	0	0	0	114	I510 L526 C542 V558 C563	I510-V532 HydrophobicContact CD1-CG1 3.86Å; L526-V532 HydrophobicContact CD2-CG1 3.73Å; V532-C542 HydrophobicContact CB-CB 4.44Å; V532-V558 HydrophobicContact CB-CG1 4.04Å; V532-V558 HydrophobicContact CG1-CB 4.44Å; V532-V558 HydrophobicContact CG1-CG1 4.06Å; V532-V558 HydrophobicContact CG1-CG2 4.14Å; V532-C563 HydrophobicContact CB-CB 4.2Å; V532-C563 HydrophobicContact CG2-CB 3.75Å
533	S	93.7	Very high	96	Very high	68 Å²	68	50.2 Å²	50.2	48%	0.476	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.5	-179.8	79.2	0	0	0	0	113.9	D531 V541	D531-S533 VanDerWaalsContact C-N 3.28Å; D531-S533 VanDerWaalsContact CG-OG 3.3Å; D531-S533 PolarHBondContact O-N 2.79Å; D531-S533 WeakPolarHBondContact OD1-CA 3.32Å; D531-S533 VanDerWaalsContact OD1-CB 3.27Å; D531-S533 WeakPolarHBondContact OD1-CB 3.35Å; D531-S533 PolarHBondContact OD1-N 3.03Å; D531-S533 PolarHBondContact OD1-OG 3.25Å; D531-S533 PolarHBondContact OD2-OG 2.82Å; S533-V541 WeakPolarHBondContact O-CG1 3.45Å
534	I	95.6	Very high	96.1	Very high	33 Å²	33	46.2 Å²	46.2	17%	0.169	24%	0.243	C	C	.	.			trans	-59.6	138.6	173.5	-65.2	175.6	0	0	0	110	N500 Q502 T508 D531 V541	N500-I534 HydrophobicContact CB-CD1 3.64Å; Q502-I534 HydrophobicContact CG-CG2 4.14Å; T508-I534 HydrophobicContact CG2-CB 4.3Å; T508-I534 HydrophobicContact CG2-CD1 4.19Å; T508-I534 HydrophobicContact CG2-CG2 3.73Å; D531-I534 HydrophobicContact CB-CD1 3.84Å; D531-I534 HydrophobicContact CB-CG1 3.93Å; I534-V541 WeakPolarHBondContact O-CA 3.14Å
535	K	96.3	Very high	96.1	Very high	92 Å²	92	46.7 Å²	46.7	40%	0.4	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-110.6	138.3	-176.3	-69.4	-175.5	-177.1	-168	0	111.3	Q502 L539 V541	Q502-K535 PolarHBondContact NE2-O 2.91Å; K535-L539 HydrophobicContact CB-CD2 4.48Å; K535-L539 HydrophobicContact CD-CB 4.27Å; K535-L539 HydrophobicContact CD-CD2 4.06Å; K535-V541 HydrophobicContact CD-CG1 4.4Å; K535-V541 HydrophobicContact CG-CG1 3.6Å
536	D	96.4	Very high	96.1	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.032	24%	0.243	C	C	.	.			trans	-73.8	-179	165.6	68.5	19.1	0	0	0	112.6	W507 E538 L539 N540 W545	W507-D536 VanDerWaalsContact CD1-CB 3.44Å; W507-D536 HydrophobicContact CG-CB 4.47Å; W507-D536 PolarHBondContact NE1-OD2 2.9Å; D536-E538 PolarHBondContact O-N 3.39Å; D536-E538 VanDerWaalsContact OD1-C 3.23Å; D536-E538 VanDerWaalsContact OD1-CA 3.31Å; D536-E538 WeakPolarHBondContact OD1-CA 3.43Å; D536-E538 WeakPolarHBondContact OD1-CB 3.26Å; D536-E538 PolarHBondContact OD1-N 3.24Å; D536-L539 WeakPolarHBondContact O-CA 3.26Å; D536-L539 PolarHBondContact O-N 3.17Å; D536-L539 PolarHBondContact OD1-N 2.95Å; D536-N540 PolarHBondContact N-O 3.48Å; D536-N540 VanDerWaalsContact N-O 3.13Å; D536-N540 PolarHBondContact OD1-N 2.91Å; D536-N540 PolarHBondContact OD1-ND2 3.34Å; D536-N540 WeakPolarHBondContact OD2-CB 3.21Å; D536-N540 PolarHBondContact OD2-ND2 3.27Å; D536-W545 PolarHBondContact OD2-NE1 3.24Å
537	K	96.3	Very high	96.1	Very high	154 Å²	154	45 Å²	45	67%	0.67	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	177.8	-74.9	178.7	175.1	178.5	0	114.5	N504 G505 L539	N504-K537 WeakPolarHBondContact O-CD 3.28Å; N504-K537 WeakPolarHBondContact O-CE 3.45Å; N504-K537 PolarHBondContact O-NZ 3.38Å; G505-K537 WeakPolarHBondContact O-CB 3.35Å; G505-K537 WeakPolarHBondContact O-CG 3.2Å; G505-K537 PolarHBondContact O-N 3.3Å; K537-L539 VanDerWaalsContact C-N 3.32Å
538	E	96.3	Very high	96.2	Very high	105 Å²	105	43.9 Å²	43.9	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.2	172.4	-71	178.9	-177.2	0	0	111.9	D536 N540 N569 V570	D536-E538 PolarHBondContact O-N 3.39Å; D536-E538 VanDerWaalsContact OD1-C 3.23Å; D536-E538 VanDerWaalsContact OD1-CA 3.31Å; D536-E538 WeakPolarHBondContact OD1-CA 3.43Å; D536-E538 WeakPolarHBondContact OD1-CB 3.26Å; D536-E538 PolarHBondContact OD1-N 3.24Å; E538-N540 VanDerWaalsContact CB-ND2 3.31Å; E538-N540 WeakPolarHBondContact CB-ND2 3.26Å; E538-N540 PolarHBondContact O-N 2.58Å; E538-N540 PolarHBondContact OE2-ND2 3.36Å; E538-N569 CarbonylContact O-C 3.57Å; E538-N569 WeakPolarHBondContact O-CB 3.46Å; E538-V570 WeakPolarHBondContact O-CB 3.37Å; E538-V570 VanDerWaalsContact O-CG2 3.31Å; E538-V570 WeakPolarHBondContact O-CG2 3.43Å; E538-V570 PolarHBondContact O-N 3.29Å
539	L	96.6	Very high	96.3	Very high	71 Å²	71	39.1 Å²	39.1	37%	0.372	20%	0.203	S	C	.	.			trans	63.9	13.3	-177.5	-57.2	174.6	0	0	0	115	K535 D536 K537 V541 V570	K535-L539 HydrophobicContact CB-CD2 4.48Å; K535-L539 HydrophobicContact CD-CB 4.27Å; K535-L539 HydrophobicContact CD-CD2 4.06Å; D536-L539 WeakPolarHBondContact O-CA 3.26Å; D536-L539 PolarHBondContact O-N 3.17Å; D536-L539 PolarHBondContact OD1-N 2.95Å; K537-L539 VanDerWaalsContact C-N 3.32Å; L539-V541 PolarHBondContact O-N 3.01Å; L539-V570 HydrophobicContact CB-CG2 4.21Å; L539-V570 HydrophobicContact CD1-CG2 3.83Å; L539-V570 HydrophobicContact CG-CG2 3.83Å
540	N	97.4	Very high	96.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.032	19%	0.186	C	C	.	.			trans	-71.7	121.8	173.5	-53	-66.7	0	0	0	109.8	D536 E538 H544 N569	D536-N540 PolarHBondContact N-O 3.48Å; D536-N540 VanDerWaalsContact N-O 3.13Å; D536-N540 PolarHBondContact OD1-N 2.91Å; D536-N540 PolarHBondContact OD1-ND2 3.34Å; D536-N540 WeakPolarHBondContact OD2-CB 3.21Å; D536-N540 PolarHBondContact OD2-ND2 3.27Å; E538-N540 VanDerWaalsContact CB-ND2 3.31Å; E538-N540 WeakPolarHBondContact CB-ND2 3.26Å; E538-N540 PolarHBondContact O-N 2.58Å; E538-N540 PolarHBondContact OE2-ND2 3.36Å; N540-H544 HydrophobicContact CB-CB 3.93Å; N540-N569 WeakPolarHBondContact OD1-CB 3.48Å; N540-N569 PolarHBondContact OD1-ND2 3.32Å
541	V	97.1	Very high	96.4	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-76.9	163	159	-59	0	0	0	0	111.4	S533 I534 K535 L539 L543 H544	S533-V541 WeakPolarHBondContact O-CG1 3.45Å; I534-V541 WeakPolarHBondContact O-CA 3.14Å; K535-V541 HydrophobicContact CD-CG1 4.4Å; K535-V541 HydrophobicContact CG-CG1 3.6Å; L539-V541 PolarHBondContact O-N 3.01Å; V541-L543 HydrophobicContact CG2-CB 4.21Å; V541-L543 PolarHBondContact O-N 3.48Å; V541-H544 WeakPolarHBondContact CG2-ND1 3.1Å; V541-H544 PolarHBondContact N-ND1 3.32Å; V541-H544 WeakPolarHBondContact O-CB 3.5Å; V541-H544 PolarHBondContact O-N 2.88Å; V541-H544 PolarHBondContact O-ND1 3.42Å
542	C	96.9	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-49.7	-30	-177.6	-171.9	0	0	0	0	114.9	I511 V532 H544 W545 A546 V558	I511-C542 HydrophobicContact CG1-CB 4.15Å; V532-C542 HydrophobicContact CB-CB 4.44Å; C542-H544 VanDerWaalsContact C-N 3.34Å; C542-H544 PolarHBondContact O-N 3.03Å; C542-W545 PolarHBondContact O-N 2.75Å; C542-A546 PolarHBondContact O-N 2.82Å; C542-V558 HydrophobicContact CB-CG1 4.45Å
543	L	97.6	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-28.7	178.8	-170.5	58.9	0	0	0	114	V541 A547 A555 V558 L559 C563 L565 P575 F591	V541-L543 HydrophobicContact CG2-CB 4.21Å; V541-L543 PolarHBondContact O-N 3.48Å; L543-A547 WeakPolarHBondContact O-CB 3.48Å; L543-A547 PolarHBondContact O-N 3.45Å; L543-A555 HydrophobicContact CD1-CB 4.16Å; L543-V558 HydrophobicContact CB-CG1 3.79Å; L543-V558 HydrophobicContact CD1-CB 4.31Å; L543-V558 HydrophobicContact CD1-CG1 3.98Å; L543-V558 HydrophobicContact CG-CG1 4.4Å; L543-L559 HydrophobicContact CD1-CD2 4.38Å; L543-L559 HydrophobicContact CD1-CG 4.02Å; L543-L559 HydrophobicContact CD2-CD2 3.55Å; L543-L559 HydrophobicContact CD2-CG 4.12Å; L543-C563 VanDerWaalsContact CB-SG 3.59Å; L543-C563 HydrophobicContact CD2-CB 4.48Å; L543-L565 HydrophobicContact CD2-CD2 4.09Å; L543-P575 HydrophobicContact CB-CG 4.08Å; L543-P575 HydrophobicContact CD2-CB 4.31Å; L543-P575 HydrophobicContact CD2-CG 3.89Å; L543-P575 HydrophobicContact CG-CB 3.92Å; L543-P575 HydrophobicContact CG-CG 3.73Å; L543-F591 HydrophobicContact CD1-CE1 3.87Å; L543-F591 HydrophobicContact CD1-CZ 4.11Å; L543-F591 HydrophobicContact CG-CE1 4.43Å; L543-F591 HydrophobicContact CG-CZ 4.47Å
544	H	98.1	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-42.5	172.4	-61.5	92.5	0	0	0	110.6	N540 V541 C542 A547 Y548 S567 D573 I578	N540-H544 HydrophobicContact CB-CB 3.93Å; V541-H544 WeakPolarHBondContact CG2-ND1 3.1Å; V541-H544 PolarHBondContact N-ND1 3.32Å; V541-H544 WeakPolarHBondContact O-CB 3.5Å; V541-H544 PolarHBondContact O-N 2.88Å; V541-H544 PolarHBondContact O-ND1 3.42Å; C542-H544 VanDerWaalsContact C-N 3.34Å; C542-H544 PolarHBondContact O-N 3.03Å; H544-A547 WeakPolarHBondContact O-CB 3.43Å; H544-A547 PolarHBondContact O-N 3.05Å; H544-Y548 WeakPolarHBondContact O-CB 3.48Å; H544-Y548 PolarHBondContact O-N 3.02Å; H544-S567 PolarHBondContact NE2-O 3.11Å; H544-D573 PolarHBondContact NE2-O 3.49Å; H544-I578 HydrophobicContact CB-CD1 3.69Å
545	W	97.4	Very high	96.8	Very high	29 Å²	29	36.6 Å²	36.6	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-35.6	176.9	-69.6	109	0	0	0	112.1	W507 I511 A514 E515 D536 C542 Y548 A549	W507-W545 AromaticContact CE2-CZ2 3.79Å; W507-W545 HydrophobicContact CH2-CD2 4.42Å; W507-W545 HydrophobicContact CH2-CE3 4.17Å; W507-W545 AromaticContact CH2-CH2 3.6Å; W507-W545 HydrophobicContact CH2-CH2 3.6Å; W507-W545 AromaticContact CH2-CZ2 3.84Å; W507-W545 HydrophobicContact CH2-CZ2 3.84Å; W507-W545 AromaticContact CH2-CZ3 3.76Å; W507-W545 HydrophobicContact CH2-CZ3 3.76Å; W507-W545 HydrophobicContact CZ2-CD2 4.48Å; W507-W545 AromaticContact CZ2-CE2 3.82Å; W507-W545 AromaticContact CZ2-CH2 3.34Å; W507-W545 HydrophobicContact CZ2-CH2 3.34Å; W507-W545 AromaticContact CZ2-CZ2 3.23Å; W507-W545 HydrophobicContact CZ2-CZ2 3.23Å; W507-W545 AromaticContact CZ2-CZ3 4Å; W507-W545 HydrophobicContact CZ2-CZ3 4Å; I511-W545 HydrophobicContact CG2-CB 4.4Å; I511-W545 VanDerWaalsContact CG2-CD1 3.47Å; I511-W545 HydrophobicContact CG2-CD2 4.34Å; I511-W545 HydrophobicContact CG2-CG 3.81Å; A514-W545 HydrophobicContact CB-CB 4.37Å; E515-W545 HydrophobicContact CB-CE3 4.45Å; E515-W545 HydrophobicContact CG-CE3 4.35Å; D536-W545 PolarHBondContact OD2-NE1 3.24Å; C542-W545 PolarHBondContact O-N 2.75Å; W545-Y548 HydrophobicContact CE3-CD1 4.02Å; W545-Y548 AromaticContact CZ3-CD1 3.87Å; W545-Y548 HydrophobicContact CZ3-CD1 3.87Å; W545-Y548 HydrophobicContact CZ3-CE1 4.28Å; W545-A549 WeakPolarHBondContact O-CB 3.37Å; W545-A549 PolarHBondContact O-N 2.79Å
546	A	96.9	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-39.6	169.7	0	0	0	0	0	112.9	C542 G550 N551 I554 A555	C542-A546 PolarHBondContact O-N 2.82Å; A546-G550 PolarHBondContact O-N 2.96Å; A546-N551 PolarHBondContact O-N 3.13Å; A546-I554 HydrophobicContact CB-CB 4.32Å; A546-I554 HydrophobicContact CB-CG2 3.74Å; A546-A555 HydrophobicContact CB-CB 4.22Å
547	A	97.1	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-42	175.5	0	0	0	0	0	112.7	L543 H544 G550 P575 I578 A579 Y584 F591	L543-A547 WeakPolarHBondContact O-CB 3.48Å; L543-A547 PolarHBondContact O-N 3.45Å; H544-A547 WeakPolarHBondContact O-CB 3.43Å; H544-A547 PolarHBondContact O-N 3.05Å; A547-G550 PolarHBondContact O-N 3.18Å; A547-P575 HydrophobicContact CB-CB 4.06Å; A547-P575 WeakPolarHBondContact CB-O 3.5Å; A547-I578 HydrophobicContact CB-CB 4.3Å; A547-I578 HydrophobicContact CB-CG2 4.24Å; A547-A579 HydrophobicContact CB-CB 4.21Å; A547-Y584 VanDerWaalsContact O-CD2 3.29Å; A547-Y584 WeakPolarHBondContact O-CD2 3.31Å; A547-F591 HydrophobicContact CB-CE2 3.86Å; A547-F591 HydrophobicContact CB-CZ 4Å
548	Y	97.1	Very high	96.7	Very high	113 Å²	113	30 Å²	30	44%	0.443	15%	0.148	S	C	.	.	H	α-helix	trans	-66.2	-36.9	174.8	-177.7	-110.1	0	0	0	112.1	H544 W545 G550 I578 E582 Y584	H544-Y548 WeakPolarHBondContact O-CB 3.48Å; H544-Y548 PolarHBondContact O-N 3.02Å; W545-Y548 HydrophobicContact CE3-CD1 4.02Å; W545-Y548 AromaticContact CZ3-CD1 3.87Å; W545-Y548 HydrophobicContact CZ3-CD1 3.87Å; W545-Y548 HydrophobicContact CZ3-CE1 4.28Å; Y548-G550 PolarHBondContact O-N 2.67Å; Y548-I578 HydrophobicContact CD2-CG2 4.26Å; Y548-E582 HydrophobicContact CD2-CG 3.99Å; Y548-E582 HydrophobicContact CE2-CG 4.38Å; Y548-Y584 VanDerWaalsContact O-CE2 3.31Å; Y548-Y584 WeakPolarHBondContact O-CE2 3.24Å
549	A	95.8	Very high	96.7	Very high	5 Å²	5	26 Å²	26	4%	0.041	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.4	171	0	0	0	0	0	113.1	A514 K517 W545 N551	A514-A549 WeakPolarHBondContact O-CB 3.33Å; K517-A549 WeakPolarHBondContact CE-O 3.44Å; K517-A549 HydrophobicContact CG-CB 4.12Å; K517-A549 PolarHBondContact NZ-O 3.48Å; W545-A549 WeakPolarHBondContact O-CB 3.37Å; W545-A549 PolarHBondContact O-N 2.79Å; A549-N551 VanDerWaalsContact C-N 3.27Å; A549-N551 PolarHBondContact O-N 2.72Å
550	G	95	Very high	96.5	Very high	15 Å²	15	27.5 Å²	27.5	16%	0.155	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	31.6	-178.7	0	0	0	0	0	114.2	A546 A547 Y548 Y584 C587	A546-G550 PolarHBondContact O-N 2.96Å; A547-G550 PolarHBondContact O-N 3.18Å; Y548-G550 PolarHBondContact O-N 2.67Å; G550-Y584 VanDerWaalsContact CA-CG 3.42Å; G550-C587 VanDerWaalsContact C-SG 3.6Å
551	N	96.1	Very high	96.2	Very high	24 Å²	24	29.7 Å²	29.7	13%	0.128	15%	0.154	C	C	.	.			trans	-103.8	106.9	-178.3	-173.9	-36.6	0	0	0	110.9	A546 A549 D553 I554 A555	A546-N551 PolarHBondContact O-N 3.13Å; A549-N551 VanDerWaalsContact C-N 3.27Å; A549-N551 PolarHBondContact O-N 2.72Å; N551-D553 WeakPolarHBondContact OD1-CB 3.29Å; N551-D553 PolarHBondContact OD1-N 3.49Å; N551-I554 HydrophobicContact CB-CB 4.23Å; N551-I554 HydrophobicContact CB-CD1 3.98Å; N551-I554 HydrophobicContact CB-CG1 4.17Å; N551-I554 WeakPolarHBondContact ND2-CD1 3.27Å; N551-I554 PolarHBondContact O-N 3.38Å; N551-I554 PolarHBondContact OD1-N 3.45Å; N551-I554 VanDerWaalsContact OD1-N 3.15Å; N551-A555 WeakPolarHBondContact O-CB 3.27Å; N551-A555 PolarHBondContact O-N 3.04Å
552	I	96.7	Very high	95.8	Very high	54 Å²	54	32.7 Å²	32.7	28%	0.277	19%	0.185	S	C	.	.	H	α-helix	trans	-64.5	-39.5	-178.8	-169.6	175.1	0	0	0	113.1	I554 A555 E556 E586 L590	I552-I554 VanDerWaalsContact C-N 3.27Å; I552-I554 PolarHBondContact O-N 3.27Å; I552-A555 PolarHBondContact O-N 3.4Å; I552-E556 WeakPolarHBondContact O-CB 3.45Å; I552-E556 PolarHBondContact O-N 3.29Å; I552-E586 HydrophobicContact CB-CB 4.25Å; I552-E586 HydrophobicContact CD1-CB 4.1Å; I552-L590 HydrophobicContact CD1-CB 4.23Å; I552-L590 HydrophobicContact CG1-CB 4.24Å; I552-L590 HydrophobicContact CG1-CD2 3.86Å
553	D	96.8	Very high	95.6	Very high	91 Å²	91	33 Å²	33	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-59.7	-41.2	178.7	-63.2	-29.8	0	0	0	111	V519 N551 L557	V519-D553 HydrophobicContact CG1-CB 4.12Å; V519-D553 HydrophobicContact CG2-CB 4.02Å; N551-D553 WeakPolarHBondContact OD1-CB 3.29Å; N551-D553 PolarHBondContact OD1-N 3.49Å; D553-L557 WeakPolarHBondContact O-CB 3.36Å; D553-L557 WeakPolarHBondContact O-CD1 3.24Å; D553-L557 WeakPolarHBondContact O-CG 3.18Å; D553-L557 PolarHBondContact O-N 3.5Å
554	I	97.2	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.2	-45.1	-180	-61.4	177.4	0	0	0	110.4	A514 K517 V519 I522 A546 N551 I552 E556 L557 V558	A514-I554 HydrophobicContact CB-CG2 4.03Å; K517-I554 HydrophobicContact CB-CD1 4.47Å; V519-I554 HydrophobicContact CG2-CD1 4.18Å; V519-I554 HydrophobicContact CG2-CG1 3.86Å; I522-I554 HydrophobicContact CD1-CB 4.24Å; I522-I554 HydrophobicContact CD1-CD1 3.68Å; I522-I554 HydrophobicContact CD1-CG1 3.85Å; I522-I554 HydrophobicContact CD1-CG2 3.4Å; A546-I554 HydrophobicContact CB-CB 4.32Å; A546-I554 HydrophobicContact CB-CG2 3.74Å; N551-I554 HydrophobicContact CB-CB 4.23Å; N551-I554 HydrophobicContact CB-CD1 3.98Å; N551-I554 HydrophobicContact CB-CG1 4.17Å; N551-I554 WeakPolarHBondContact ND2-CD1 3.27Å; N551-I554 PolarHBondContact O-N 3.38Å; N551-I554 PolarHBondContact OD1-N 3.45Å; N551-I554 VanDerWaalsContact OD1-N 3.15Å; I552-I554 VanDerWaalsContact C-N 3.27Å; I552-I554 PolarHBondContact O-N 3.27Å; I554-E556 VanDerWaalsContact C-N 3.28Å; I554-E556 PolarHBondContact O-N 2.99Å; I554-L557 PolarHBondContact O-N 2.92Å; I554-V558 HydrophobicContact CG2-CG2 4.19Å; I554-V558 WeakPolarHBondContact O-CB 3.4Å; I554-V558 VanDerWaalsContact O-CG2 3.26Å; I554-V558 WeakPolarHBondContact O-CG2 3.47Å; I554-V558 PolarHBondContact O-N 3.5Å
555	A	96.9	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-41.4	176.6	0	0	0	0	0	111.4	L543 A546 N551 I552 L559 L590 F591	L543-A555 HydrophobicContact CD1-CB 4.16Å; A546-A555 HydrophobicContact CB-CB 4.22Å; N551-A555 WeakPolarHBondContact O-CB 3.27Å; N551-A555 PolarHBondContact O-N 3.04Å; I552-A555 PolarHBondContact O-N 3.4Å; A555-L559 WeakPolarHBondContact O-CB 3.24Å; A555-L559 WeakPolarHBondContact O-CD1 3.5Å; A555-L559 WeakPolarHBondContact O-CG 3.34Å; A555-L559 PolarHBondContact O-N 3.01Å; A555-L590 HydrophobicContact CB-CD2 3.83Å; A555-F591 HydrophobicContact CB-CE1 3.93Å; A555-F591 HydrophobicContact CB-CZ 4.11Å
556	E	96.6	Very high	94.7	Very high	71 Å²	71	39.9 Å²	39.9	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-46.2	175	174.8	156.5	-135.5	0	0	112.5	I552 I554 V558 L559 N560 L590 R594	I552-E556 WeakPolarHBondContact O-CB 3.45Å; I552-E556 PolarHBondContact O-N 3.29Å; I554-E556 VanDerWaalsContact C-N 3.28Å; I554-E556 PolarHBondContact O-N 2.99Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 3.5Å; E556-L559 PolarHBondContact O-N 3.24Å; E556-N560 WeakPolarHBondContact CG-ND2 3.34Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 2.9Å; E556-N560 PolarHBondContact O-OD1 3Å; E556-L590 HydrophobicContact CB-CD2 3.95Å; E556-R594 IonicContact OE1-CZ 3.97Å; E556-R594 IonicContact OE1-NH2 3.99Å; E556-R594 PolarHBondContact OE1-NH2 3.21Å
557	L	96.1	Very high	94.6	Very high	41 Å²	41	40.7 Å²	40.7	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-45.9	176.9	-74.1	163.7	0	0	0	111.9	V519 K523 L526 D553 I554 L559 N560 S561	V519-L557 HydrophobicContact CG1-CD1 3.84Å; K523-L557 HydrophobicContact CD-CD1 4.35Å; K523-L557 HydrophobicContact CG-CD1 3.82Å; K523-L557 HydrophobicContact CG-CD2 4.15Å; L526-L557 HydrophobicContact CD1-CB 4.28Å; D553-L557 WeakPolarHBondContact O-CB 3.36Å; D553-L557 WeakPolarHBondContact O-CD1 3.24Å; D553-L557 WeakPolarHBondContact O-CG 3.18Å; D553-L557 PolarHBondContact O-N 3.5Å; I554-L557 PolarHBondContact O-N 2.92Å; L557-L559 PolarHBondContact O-N 2.81Å; L557-N560 PolarHBondContact O-N 3.28Å; L557-S561 PolarHBondContact O-N 2.92Å; L557-S561 PolarHBondContact O-OG 3.43Å; L557-S561 VanDerWaalsContact O-OG 3.11Å
558	V	95.3	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-38.8	179.9	168.6	0	0	0	0	111.7	V532 C542 L543 I554 E556 S561 C563	V532-V558 HydrophobicContact CB-CG1 4.04Å; V532-V558 HydrophobicContact CG1-CB 4.44Å; V532-V558 HydrophobicContact CG1-CG1 4.06Å; V532-V558 HydrophobicContact CG1-CG2 4.14Å; C542-V558 HydrophobicContact CB-CG1 4.45Å; L543-V558 HydrophobicContact CB-CG1 3.79Å; L543-V558 HydrophobicContact CD1-CB 4.31Å; L543-V558 HydrophobicContact CD1-CG1 3.98Å; L543-V558 HydrophobicContact CG-CG1 4.4Å; I554-V558 HydrophobicContact CG2-CG2 4.19Å; I554-V558 WeakPolarHBondContact O-CB 3.4Å; I554-V558 VanDerWaalsContact O-CG2 3.26Å; I554-V558 WeakPolarHBondContact O-CG2 3.47Å; I554-V558 PolarHBondContact O-N 3.5Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 3.5Å; V558-S561 WeakPolarHBondContact CA-OG 3.39Å; V558-S561 PolarHBondContact O-N 2.8Å; V558-S561 PolarHBondContact O-OG 3.09Å; V558-C563 HydrophobicContact CG1-CB 3.53Å; V558-C563 WeakPolarHBondContact O-CB 3.34Å; V558-C563 PolarHBondContact O-N 3.1Å
559	L	95.1	Very high	94.5	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-44.5	173.1	-74.5	169.8	0	0	0	112.5	L543 A555 E556 L557 S561 G562 L565 L590 F591 R594	L543-L559 HydrophobicContact CD1-CD2 4.38Å; L543-L559 HydrophobicContact CD1-CG 4.02Å; L543-L559 HydrophobicContact CD2-CD2 3.55Å; L543-L559 HydrophobicContact CD2-CG 4.12Å; A555-L559 WeakPolarHBondContact O-CB 3.24Å; A555-L559 WeakPolarHBondContact O-CD1 3.5Å; A555-L559 WeakPolarHBondContact O-CG 3.34Å; A555-L559 PolarHBondContact O-N 3.01Å; E556-L559 PolarHBondContact O-N 3.24Å; L557-L559 PolarHBondContact O-N 2.81Å; L559-S561 PolarHBondContact O-N 3Å; L559-G562 PolarHBondContact O-N 3.26Å; L559-L565 HydrophobicContact CD1-CD2 4.31Å; L559-L565 HydrophobicContact CD2-CD1 4.01Å; L559-L565 HydrophobicContact CD2-CD2 3.68Å; L559-L565 HydrophobicContact CD2-CG 3.51Å; L559-L590 HydrophobicContact CD1-CD2 4.05Å; L559-L590 HydrophobicContact CD1-CG 4.12Å; L559-F591 HydrophobicContact CD1-CD1 4Å; L559-F591 HydrophobicContact CD1-CE1 4.03Å; L559-R594 HydrophobicContact CD1-CG 4.31Å
560	N	94	Very high	94.5	Very high	103 Å²	103	40.6 Å²	40.6	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-68.1	-22.7	-180	-64.4	-4.2	0	0	0	111.7	E556 L557 G562 R594	E556-N560 WeakPolarHBondContact CG-ND2 3.34Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 2.9Å; E556-N560 PolarHBondContact O-OD1 3Å; L557-N560 PolarHBondContact O-N 3.28Å; N560-G562 VanDerWaalsContact C-N 3.28Å; N560-G562 PolarHBondContact O-N 2.82Å; N560-R594 PolarHBondContact OD1-NH1 3.41Å
561	S	91.4	Very high	94.6	Very high	52 Å²	52	43.9 Å²	43.9	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	10.3	167.1	56.8	0	0	0	0	115.1	L557 V558 L559	L557-S561 PolarHBondContact O-N 2.92Å; L557-S561 PolarHBondContact O-OG 3.43Å; L557-S561 VanDerWaalsContact O-OG 3.11Å; V558-S561 WeakPolarHBondContact CA-OG 3.39Å; V558-S561 PolarHBondContact O-N 2.8Å; V558-S561 PolarHBondContact O-OG 3.09Å; L559-S561 PolarHBondContact O-N 3Å
562	G	87.8	Confident	94.5	Very high	65 Å²	65	43.2 Å²	43.2	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	12.2	171.3	0	0	0	0	0	116.5	L559 N560 S564	L559-G562 PolarHBondContact O-N 3.26Å; N560-G562 VanDerWaalsContact C-N 3.28Å; N560-G562 PolarHBondContact O-N 2.82Å; G562-S564 PolarHBondContact O-N 3.04Å
563	C	92.4	Very high	94.6	Very high	7 Å²	7	40.7 Å²	40.7	5%	0.047	25%	0.25	C	S	.	.			trans	-66.3	130.4	175.5	-173.4	0	0	0	0	111.8	V532 L543 V558	V532-C563 HydrophobicContact CB-CB 4.2Å; V532-C563 HydrophobicContact CG2-CB 3.75Å; L543-C563 VanDerWaalsContact CB-SG 3.59Å; L543-C563 HydrophobicContact CD2-CB 4.48Å; V558-C563 HydrophobicContact CG1-CB 3.53Å; V558-C563 WeakPolarHBondContact O-CB 3.34Å; V558-C563 PolarHBondContact O-N 3.1Å
564	S	90.9	Very high	94.6	Very high	56 Å²	56	36.7 Å²	36.7	39%	0.392	23%	0.229	S	C	.	.			trans	-72.8	131.9	178.6	-179.2	0	0	0	0	113.2	G562 S566 S567	G562-S564 PolarHBondContact O-N 3.04Å; S564-S566 VanDerWaalsContact C-N 3.29Å; S564-S566 PolarHBondContact O-N 3.01Å; S564-S566 PolarHBondContact OG-N 3.36Å; S564-S566 VanDerWaalsContact OG-N 3.13Å; S564-S566 PolarHBondContact OG-OG 3.04Å; S564-S567 WeakPolarHBondContact O-CB 3.34Å; S564-S567 PolarHBondContact O-N 3.24Å; S564-S567 PolarHBondContact O-OG 3.45Å
565	L	92.3	Very high	94.6	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.168	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.3	169.9	-77.9	161.2	0	0	0	114.1	L543 L559 S567 F591 R594 A596	L543-L565 HydrophobicContact CD2-CD2 4.09Å; L559-L565 HydrophobicContact CD1-CD2 4.31Å; L559-L565 HydrophobicContact CD2-CD1 4.01Å; L559-L565 HydrophobicContact CD2-CD2 3.68Å; L559-L565 HydrophobicContact CD2-CG 3.51Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-F591 HydrophobicContact CD2-CB 4.11Å; L565-F591 HydrophobicContact CD2-CD1 3.6Å; L565-F591 HydrophobicContact CD2-CE1 4.27Å; L565-F591 HydrophobicContact CD2-CG 3.97Å; L565-R594 HydrophobicContact CD1-CB 3.54Å; L565-R594 VanDerWaalsContact CD1-O 3.24Å; L565-R594 WeakPolarHBondContact CD1-O 3.44Å; L565-A596 HydrophobicContact CB-CB 4.5Å; L565-A596 HydrophobicContact CD1-CB 4.45Å; L565-A596 HydrophobicContact CD2-CB 4.33Å
566	S	92.2	Very high	94.6	Very high	88 Å²	88	36.8 Å²	36.8	62%	0.615	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	7.4	177.9	71.5	0	0	0	0	113	S564	S564-S566 VanDerWaalsContact C-N 3.29Å; S564-S566 PolarHBondContact O-N 3.01Å; S564-S566 PolarHBondContact OG-N 3.36Å; S564-S566 VanDerWaalsContact OG-N 3.13Å; S564-S566 PolarHBondContact OG-OG 3.04Å
567	S	93.2	Very high	94.7	Very high	17 Å²	17	33.4 Å²	33.4	12%	0.119	21%	0.214	C	C	.	.			trans	-59.7	136.3	170.1	-57.3	0	0	0	0	109.8	H544 S564 L565 T574 P575	H544-S567 PolarHBondContact NE2-O 3.11Å; S564-S567 WeakPolarHBondContact O-CB 3.34Å; S564-S567 PolarHBondContact O-N 3.24Å; S564-S567 PolarHBondContact O-OG 3.45Å; L565-S567 VanDerWaalsContact C-N 3.26Å; S567-T574 WeakPolarHBondContact O-CA 3.46Å; S567-P575 WeakPolarHBondContact O-CD 3.38Å
568	V	95.9	Very high	94.8	Very high	56 Å²	56	31.8 Å²	31.8	34%	0.339	21%	0.205	S	C	.	.			trans	-126.9	145.7	175.7	-70.5	0	0	0	0	111.2	G572 D573 T574	V568-G572 WeakPolarHBondContact CG1-O 3.4Å; V568-D573 WeakPolarHBondContact CA-O 3.3Å; V568-T574 HydrophobicContact CG1-CG2 3.59Å
569	N	96.2	Very high	94.9	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	21%	0.205	C	C	.	.			trans	-91.3	-170.5	176.1	76.8	3.1	0	0	0	112.6	E538 N540 H571 G572 D573	E538-N569 CarbonylContact O-C 3.57Å; E538-N569 WeakPolarHBondContact O-CB 3.46Å; N540-N569 WeakPolarHBondContact OD1-CB 3.48Å; N540-N569 PolarHBondContact OD1-ND2 3.32Å; N569-H571 PolarHBondContact O-N 2.85Å; N569-H571 WeakPolarHBondContact OD1-CA 3.36Å; N569-H571 WeakPolarHBondContact OD1-CB 3.27Å; N569-H571 PolarHBondContact OD1-N 3.49Å; N569-G572 PolarHBondContact O-N 3.34Å; N569-G572 PolarHBondContact OD1-N 3.3Å; N569-D573 PolarHBondContact N-O 2.96Å; N569-D573 VanDerWaalsContact N-O 3.11Å; N569-D573 PolarHBondContact OD1-N 2.97Å; N569-D573 VanDerWaalsContact OD1-N 3.09Å
570	V	96.9	Very high	94.9	Very high	53 Å²	53	30.8 Å²	30.8	32%	0.321	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.5	178.6	161.4	0	0	0	0	113.6	E538 L539 R603	E538-V570 WeakPolarHBondContact O-CB 3.37Å; E538-V570 VanDerWaalsContact O-CG2 3.31Å; E538-V570 WeakPolarHBondContact O-CG2 3.43Å; E538-V570 PolarHBondContact O-N 3.29Å; L539-V570 HydrophobicContact CB-CG2 4.21Å; L539-V570 HydrophobicContact CD1-CG2 3.83Å; L539-V570 HydrophobicContact CG-CG2 3.83Å; V570-R603 VanDerWaalsContact O-CD 3.25Å; V570-R603 WeakPolarHBondContact O-CD 3.5Å; V570-R603 PolarHBondContact O-NE 3.11Å; V570-R603 VanDerWaalsContact O-NE 3.13Å; V570-R603 PolarHBondContact O-NH1 3.47Å
571	H	95.6	Very high	95.1	Very high	84 Å²	84	30.6 Å²	30.6	39%	0.389	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.5	174.3	-60.3	-89.3	0	0	0	112.6	N569 R603	N569-H571 PolarHBondContact O-N 2.85Å; N569-H571 WeakPolarHBondContact OD1-CA 3.36Å; N569-H571 WeakPolarHBondContact OD1-CB 3.27Å; N569-H571 PolarHBondContact OD1-N 3.49Å; H571-R603 VanDerWaalsContact O-CB 3.24Å; H571-R603 WeakPolarHBondContact O-CB 3.45Å; H571-R603 WeakPolarHBondContact O-CG 3.49Å; H571-R603 PolarHBondContact O-N 3.41Å
572	G	95.6	Very high	95.3	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	19%	0.191	C	C	.	.			trans	78.5	3.8	-168.3	0	0	0	0	0	113.4	V568 N569 T574	V568-G572 WeakPolarHBondContact CG1-O 3.4Å; N569-G572 PolarHBondContact O-N 3.34Å; N569-G572 PolarHBondContact OD1-N 3.3Å; G572-T574 PolarHBondContact O-N 3.24Å
573	D	97.4	Very high	95.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	18%	0.18	C	C	.	.			trans	-65.8	131.8	174.3	-75.1	-16.1	0	0	0	109.2	H544 V568 N569 H577 I578 R581 N602	H544-D573 PolarHBondContact NE2-O 3.49Å; V568-D573 WeakPolarHBondContact CA-O 3.3Å; N569-D573 PolarHBondContact N-O 2.96Å; N569-D573 VanDerWaalsContact N-O 3.11Å; N569-D573 PolarHBondContact OD1-N 2.97Å; N569-D573 VanDerWaalsContact OD1-N 3.09Å; D573-H577 HydrophobicContact CB-CB 3.88Å; D573-H577 IonicContact OD1-CD2 3.68Å; D573-H577 IonicContact OD1-CG 3.64Å; D573-I578 HydrophobicContact CB-CG1 4.14Å; D573-R581 IonicContact OD1-NH1 3.3Å; D573-R581 IonicContact OD2-CZ 2.74Å; D573-R581 IonicContact OD2-NH1 3Å; D573-R581 PolarHBondContact OD2-NH1 2.87Å; D573-R581 IonicContact OD2-NH2 2.71Å; D573-R581 PolarHBondContact OD2-NH2 2.98Å; D573-N602 PolarHBondContact OD1-ND2 2.86Å
574	T	97.5	Very high	95.9	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.037	19%	0.193	C	C	.	.			trans	-86.6	167.7	161.5	66.8	0	0	0	0	110.2	S567 V568 G572 L576 H577 I578 I600	S567-T574 WeakPolarHBondContact O-CA 3.46Å; V568-T574 HydrophobicContact CG1-CG2 3.59Å; G572-T574 PolarHBondContact O-N 3.24Å; T574-L576 PolarHBondContact O-N 2.79Å; T574-L576 PolarHBondContact OG1-N 2.78Å; T574-H577 PolarHBondContact N-ND1 3.13Å; T574-H577 VanDerWaalsContact N-ND1 3.15Å; T574-H577 WeakPolarHBondContact O-CB 3.31Å; T574-H577 PolarHBondContact O-N 3.26Å; T574-H577 PolarHBondContact OG1-ND1 3.46Å; T574-I578 PolarHBondContact O-N 2.82Å; T574-I600 HydrophobicContact CG2-CD1 3.93Å
575	P	97.4	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-27.3	172.2	-27.8	37	0	0	0	113.9	L543 A547 S567 A579 F591	L543-P575 HydrophobicContact CB-CG 4.08Å; L543-P575 HydrophobicContact CD2-CB 4.31Å; L543-P575 HydrophobicContact CD2-CG 3.89Å; L543-P575 HydrophobicContact CG-CB 3.92Å; L543-P575 HydrophobicContact CG-CG 3.73Å; A547-P575 HydrophobicContact CB-CB 4.06Å; A547-P575 WeakPolarHBondContact CB-O 3.5Å; S567-P575 WeakPolarHBondContact O-CD 3.38Å; P575-A579 WeakPolarHBondContact O-CB 3.41Å; P575-A579 PolarHBondContact O-N 3.29Å; P575-F591 HydrophobicContact CB-CD2 4.46Å; P575-F591 HydrophobicContact CB-CE2 3.84Å; P575-F591 HydrophobicContact CB-CZ 4Å; P575-F591 WeakPolarHBondContact O-CE2 3.42Å
576	L	97.6	Very high	96.3	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-73.6	-34.6	174.8	-174	60.1	0	0	0	113	T574 I578 A580 V588 F591 L592 A596 D597 P608 L622	T574-L576 PolarHBondContact O-N 2.79Å; T574-L576 PolarHBondContact OG1-N 2.78Å; L576-I578 VanDerWaalsContact C-N 3.35Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 2.8Å; L576-V588 HydrophobicContact CD1-CB 4.25Å; L576-V588 HydrophobicContact CD1-CG1 4.09Å; L576-V588 HydrophobicContact CD1-CG2 4.11Å; L576-F591 HydrophobicContact CB-CD2 4.26Å; L576-F591 HydrophobicContact CD1-CB 4.06Å; L576-F591 HydrophobicContact CD1-CD2 4.13Å; L576-L592 HydrophobicContact CD2-CD2 4.2Å; L576-A596 HydrophobicContact CD2-CB 4.04Å; L576-D597 WeakPolarHBondContact CD2-O 3.41Å; L576-P608 HydrophobicContact CB-CG 4.39Å; L576-P608 HydrophobicContact CD2-CB 4.28Å; L576-P608 HydrophobicContact CD2-CG 4.19Å; L576-P608 HydrophobicContact CG-CB 3.89Å; L576-P608 HydrophobicContact CG-CG 4.03Å; L576-L622 HydrophobicContact CD1-CD2 4.24Å; L576-L622 HydrophobicContact CD2-CD2 4.3Å; L576-L622 HydrophobicContact CG-CD2 4.46Å
577	H	97.8	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-47	171.9	-70.2	80.5	0	0	0	110.4	D573 T574 A580 R581 N602 D606 L611	D573-H577 HydrophobicContact CB-CB 3.88Å; D573-H577 IonicContact OD1-CD2 3.68Å; D573-H577 IonicContact OD1-CG 3.64Å; T574-H577 PolarHBondContact N-ND1 3.13Å; T574-H577 VanDerWaalsContact N-ND1 3.15Å; T574-H577 WeakPolarHBondContact O-CB 3.31Å; T574-H577 PolarHBondContact O-N 3.26Å; T574-H577 PolarHBondContact OG1-ND1 3.46Å; H577-A580 PolarHBondContact O-N 2.67Å; H577-R581 WeakPolarHBondContact O-CB 3.34Å; H577-R581 PolarHBondContact O-N 3.38Å; H577-N602 PolarHBondContact NE2-N 3.49Å; H577-D606 PolarHBondContact NE2-O 3.23Å; H577-L611 HydrophobicContact CB-CD1 3.8Å
578	I	97.3	Very high	96.8	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.036	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-54.1	179.2	-59.7	-179.8	0	0	0	110.7	H544 A547 Y548 D573 T574 L576 A580 R581 E582	H544-I578 HydrophobicContact CB-CD1 3.69Å; A547-I578 HydrophobicContact CB-CB 4.3Å; A547-I578 HydrophobicContact CB-CG2 4.24Å; Y548-I578 HydrophobicContact CD2-CG2 4.26Å; D573-I578 HydrophobicContact CB-CG1 4.14Å; T574-I578 PolarHBondContact O-N 2.82Å; L576-I578 VanDerWaalsContact C-N 3.35Å; I578-A580 PolarHBondContact O-N 3.24Å; I578-R581 PolarHBondContact O-N 3.46Å; I578-R581 VanDerWaalsContact O-N 3.15Å; I578-E582 HydrophobicContact CG2-CG 4.22Å; I578-E582 WeakPolarHBondContact O-CG 3.42Å; I578-E582 PolarHBondContact O-N 3.36Å
579	A	97.4	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-28.8	180	0	0	0	0	0	113	A547 P575 G583 Y584 C587 V588 F591	A547-A579 HydrophobicContact CB-CB 4.21Å; P575-A579 WeakPolarHBondContact O-CB 3.41Å; P575-A579 PolarHBondContact O-N 3.29Å; A579-G583 PolarHBondContact O-N 2.86Å; A579-Y584 PolarHBondContact O-N 2.83Å; A579-C587 HydrophobicContact CB-CB 3.85Å; A579-V588 HydrophobicContact CB-CG2 3.81Å; A579-F591 HydrophobicContact CB-CD2 4.22Å; A579-F591 HydrophobicContact CB-CE2 3.85Å
580	A	97	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-74.6	-42.6	174.6	0	0	0	0	0	113.1	L576 H577 I578 G583 V588 P608 A612 V618 L622	L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 2.8Å; H577-A580 PolarHBondContact O-N 2.67Å; I578-A580 PolarHBondContact O-N 3.24Å; A580-G583 PolarHBondContact O-N 3.4Å; A580-V588 HydrophobicContact CB-CG2 4.47Å; A580-P608 HydrophobicContact CB-CB 4.1Å; A580-P608 WeakPolarHBondContact CB-O 3.33Å; A580-A612 HydrophobicContact CB-CB 4.41Å; A580-V618 HydrophobicContact CB-CG1 4.25Å; A580-L622 HydrophobicContact CB-CD1 3.8Å
581	R	96.3	Very high	96.8	Very high	98 Å²	98	32.4 Å²	32.4	37%	0.37	17%	0.165	S	C	.	.	H	α-helix	trans	-63.1	-48.6	176.3	-180	170.8	61.1	-135.4	-2.2	112	D573 H577 I578 G583 L611	D573-R581 IonicContact OD1-NH1 3.3Å; D573-R581 IonicContact OD2-CZ 2.74Å; D573-R581 IonicContact OD2-NH1 3Å; D573-R581 PolarHBondContact OD2-NH1 2.87Å; D573-R581 IonicContact OD2-NH2 2.71Å; D573-R581 PolarHBondContact OD2-NH2 2.98Å; H577-R581 WeakPolarHBondContact O-CB 3.34Å; H577-R581 PolarHBondContact O-N 3.38Å; I578-R581 PolarHBondContact O-N 3.46Å; I578-R581 VanDerWaalsContact O-N 3.15Å; R581-G583 VanDerWaalsContact C-N 3.25Å; R581-G583 PolarHBondContact O-N 3.41Å; R581-L611 HydrophobicContact CB-CB 4.26Å
582	E	96.1	Very high	96.7	Very high	74 Å²	74	28.9 Å²	28.9	35%	0.346	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-11	-179.8	-51.5	-42.4	133	0	0	113	Y548 I578 Y584	Y548-E582 HydrophobicContact CD2-CG 3.99Å; Y548-E582 HydrophobicContact CE2-CG 4.38Å; I578-E582 HydrophobicContact CG2-CG 4.22Å; I578-E582 WeakPolarHBondContact O-CG 3.42Å; I578-E582 PolarHBondContact O-N 3.36Å; E582-Y584 HydrophobicContact CB-CD2 3.61Å; E582-Y584 HydrophobicContact CB-CE2 3.4Å; E582-Y584 VanDerWaalsContact CB-CE2 3.4Å; E582-Y584 HydrophobicContact CG-CE2 4.21Å
583	G	95.3	Very high	96.7	Very high	42 Å²	42	32.6 Å²	32.6	43%	0.433	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	20.1	172.2	0	0	0	0	0	115.9	A579 A580 R581 L585 V618	A579-G583 PolarHBondContact O-N 2.86Å; A580-G583 PolarHBondContact O-N 3.4Å; R581-G583 VanDerWaalsContact C-N 3.25Å; R581-G583 PolarHBondContact O-N 3.41Å; G583-L585 PolarHBondContact O-N 2.77Å; G583-L585 VanDerWaalsContact O-N 3.1Å; G583-V618 WeakPolarHBondContact O-CG2 3.37Å
584	Y	97.3	Very high	96.4	Very high	84 Å²	84	37.2 Å²	37.2	33%	0.329	19%	0.191	S	C	.	.			trans	-83.9	83.7	-175.8	-62.8	-55.4	0	0	0	113.1	A547 Y548 G550 A579 E582 E586 C587 V588	A547-Y584 VanDerWaalsContact O-CD2 3.29Å; A547-Y584 WeakPolarHBondContact O-CD2 3.31Å; Y548-Y584 VanDerWaalsContact O-CE2 3.31Å; Y548-Y584 WeakPolarHBondContact O-CE2 3.24Å; G550-Y584 VanDerWaalsContact CA-CG 3.42Å; A579-Y584 PolarHBondContact O-N 2.83Å; E582-Y584 HydrophobicContact CB-CD2 3.61Å; E582-Y584 HydrophobicContact CB-CE2 3.4Å; E582-Y584 VanDerWaalsContact CB-CE2 3.4Å; E582-Y584 HydrophobicContact CG-CE2 4.21Å; Y584-E586 PolarHBondContact O-N 2.98Å; Y584-E586 VanDerWaalsContact O-N 3.12Å; Y584-C587 PolarHBondContact O-N 2.65Å; Y584-C587 VanDerWaalsContact O-N 3.15Å; Y584-V588 WeakPolarHBondContact O-CG2 3.27Å; Y584-V588 PolarHBondContact O-N 3.34Å
585	L	95.9	Very high	96	Very high	68 Å²	68	39 Å²	39	36%	0.356	21%	0.212	S	C	.	.	H	α-helix	trans	-47.8	-40.3	179.7	178.7	64.7	0	0	0	114.3	G583 V588 T589 P617 V618	G583-L585 PolarHBondContact O-N 2.77Å; G583-L585 VanDerWaalsContact O-N 3.1Å; L585-V588 PolarHBondContact O-N 3.2Å; L585-T589 VanDerWaalsContact O-CB 3.29Å; L585-T589 WeakPolarHBondContact O-CB 3.26Å; L585-T589 PolarHBondContact O-N 3.18Å; L585-T589 PolarHBondContact O-OG1 3.23Å; L585-P617 HydrophobicContact CD1-CB 4.26Å; L585-P617 HydrophobicContact CD2-CB 3.83Å; L585-V618 HydrophobicContact CB-CG2 3.95Å; L585-V618 HydrophobicContact CD1-CG2 4.42Å
586	E	96.9	Very high	95.8	Very high	125 Å²	125	39.5 Å²	39.5	58%	0.584	22%	0.215	S	C	*	.	H	α-helix	trans	-66.9	-46.8	-177	-67.5	173.1	179.2	0	0	111.2	I552 Y584 T589 L590	I552-E586 HydrophobicContact CB-CB 4.25Å; I552-E586 HydrophobicContact CD1-CB 4.1Å; Y584-E586 PolarHBondContact O-N 2.98Å; Y584-E586 VanDerWaalsContact O-N 3.12Å; E586-T589 PolarHBondContact O-N 2.69Å; E586-L590 WeakPolarHBondContact O-CB 3.35Å; E586-L590 PolarHBondContact O-N 3.42Å
587	C	97.3	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-43.4	173.7	-67.5	0	0	0	0	111.8	G550 A579 Y584 T589 L590 F591	G550-C587 VanDerWaalsContact C-SG 3.6Å; A579-C587 HydrophobicContact CB-CB 3.85Å; Y584-C587 PolarHBondContact O-N 2.65Å; Y584-C587 VanDerWaalsContact O-N 3.15Å; C587-T589 VanDerWaalsContact C-N 3.32Å; C587-T589 PolarHBondContact O-N 2.77Å; C587-L590 PolarHBondContact O-N 3.18Å; C587-F591 HydrophobicContact CB-CE2 4.08Å; C587-F591 HydrophobicContact CB-CZ 4.26Å; C587-F591 WeakPolarHBondContact O-CB 3.13Å; C587-F591 VanDerWaalsContact O-CD2 3.24Å; C587-F591 WeakPolarHBondContact O-CD2 3.18Å; C587-F591 WeakPolarHBondContact O-CG 3.5Å; C587-F591 PolarHBondContact O-N 3.45Å
588	V	97.1	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-45.3	174.4	168.4	0	0	0	0	111	L576 A579 A580 Y584 L585 F591 L592 V618 L622	L576-V588 HydrophobicContact CD1-CB 4.25Å; L576-V588 HydrophobicContact CD1-CG1 4.09Å; L576-V588 HydrophobicContact CD1-CG2 4.11Å; A579-V588 HydrophobicContact CB-CG2 3.81Å; A580-V588 HydrophobicContact CB-CG2 4.47Å; Y584-V588 WeakPolarHBondContact O-CG2 3.27Å; Y584-V588 PolarHBondContact O-N 3.34Å; L585-V588 PolarHBondContact O-N 3.2Å; V588-F591 PolarHBondContact O-N 3.38Å; V588-L592 HydrophobicContact CG1-CD1 3.77Å; V588-L592 HydrophobicContact CG1-CG 4.34Å; V588-L592 VanDerWaalsContact O-CB 3.3Å; V588-L592 WeakPolarHBondContact O-CB 3.21Å; V588-L592 WeakPolarHBondContact O-CG 3.29Å; V588-L592 PolarHBondContact O-N 3.29Å; V588-V618 HydrophobicContact CG2-CG1 4.1Å; V588-V618 HydrophobicContact CG2-CG2 4.38Å; V588-L622 HydrophobicContact CG1-CD1 4.39Å; V588-L622 HydrophobicContact CG1-CD2 4.06Å; V588-L622 HydrophobicContact CG1-CG 3.94Å
589	T	95.8	Very high	94.8	Very high	66 Å²	66	46 Å²	46	41%	0.405	25%	0.25	S	C	.	.	H	α-helix	trans	-67.7	-41.6	-179.5	-55.8	0	0	0	0	111.6	L585 E586 C587 L592 S593	L585-T589 VanDerWaalsContact O-CB 3.29Å; L585-T589 WeakPolarHBondContact O-CB 3.26Å; L585-T589 PolarHBondContact O-N 3.18Å; L585-T589 PolarHBondContact O-OG1 3.23Å; E586-T589 PolarHBondContact O-N 2.69Å; C587-T589 VanDerWaalsContact C-N 3.32Å; C587-T589 PolarHBondContact O-N 2.77Å; T589-L592 PolarHBondContact O-N 2.89Å; T589-S593 WeakPolarHBondContact O-CB 3.42Å; T589-S593 PolarHBondContact O-N 2.8Å; T589-S593 PolarHBondContact O-OG 3.28Å
590	L	96.9	Very high	94.6	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-56	171.9	174.8	62	0	0	0	110.9	I552 A555 E556 L559 E586 C587 L592 S593 R594	I552-L590 HydrophobicContact CD1-CB 4.23Å; I552-L590 HydrophobicContact CG1-CB 4.24Å; I552-L590 HydrophobicContact CG1-CD2 3.86Å; A555-L590 HydrophobicContact CB-CD2 3.83Å; E556-L590 HydrophobicContact CB-CD2 3.95Å; L559-L590 HydrophobicContact CD1-CD2 4.05Å; L559-L590 HydrophobicContact CD1-CG 4.12Å; E586-L590 WeakPolarHBondContact O-CB 3.35Å; E586-L590 PolarHBondContact O-N 3.42Å; C587-L590 PolarHBondContact O-N 3.18Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 3.04Å; L590-S593 PolarHBondContact O-N 2.88Å; L590-S593 VanDerWaalsContact O-N 3.13Å; L590-S593 PolarHBondContact O-OG 2.83Å; L590-R594 HydrophobicContact CD1-CG 4.01Å; L590-R594 WeakPolarHBondContact O-CG 3.46Å; L590-R594 PolarHBondContact O-N 3.38Å
591	F	97.3	Very high	94.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-40.9	-178.4	-59.4	-23.4	0	0	0	112.6	L543 A547 A555 L559 L565 P575 L576 A579 C587 V588 S593 R594 G595 A596	L543-F591 HydrophobicContact CD1-CE1 3.87Å; L543-F591 HydrophobicContact CD1-CZ 4.11Å; L543-F591 HydrophobicContact CG-CE1 4.43Å; L543-F591 HydrophobicContact CG-CZ 4.47Å; A547-F591 HydrophobicContact CB-CE2 3.86Å; A547-F591 HydrophobicContact CB-CZ 4Å; A555-F591 HydrophobicContact CB-CE1 3.93Å; A555-F591 HydrophobicContact CB-CZ 4.11Å; L559-F591 HydrophobicContact CD1-CD1 4Å; L559-F591 HydrophobicContact CD1-CE1 4.03Å; L565-F591 HydrophobicContact CD2-CB 4.11Å; L565-F591 HydrophobicContact CD2-CD1 3.6Å; L565-F591 HydrophobicContact CD2-CE1 4.27Å; L565-F591 HydrophobicContact CD2-CG 3.97Å; P575-F591 HydrophobicContact CB-CD2 4.46Å; P575-F591 HydrophobicContact CB-CE2 3.84Å; P575-F591 HydrophobicContact CB-CZ 4Å; P575-F591 WeakPolarHBondContact O-CE2 3.42Å; L576-F591 HydrophobicContact CB-CD2 4.26Å; L576-F591 HydrophobicContact CD1-CB 4.06Å; L576-F591 HydrophobicContact CD1-CD2 4.13Å; A579-F591 HydrophobicContact CB-CD2 4.22Å; A579-F591 HydrophobicContact CB-CE2 3.85Å; C587-F591 HydrophobicContact CB-CE2 4.08Å; C587-F591 HydrophobicContact CB-CZ 4.26Å; C587-F591 WeakPolarHBondContact O-CB 3.13Å; C587-F591 VanDerWaalsContact O-CD2 3.24Å; C587-F591 WeakPolarHBondContact O-CD2 3.18Å; C587-F591 WeakPolarHBondContact O-CG 3.5Å; C587-F591 PolarHBondContact O-N 3.45Å; V588-F591 PolarHBondContact O-N 3.38Å; F591-S593 PolarHBondContact O-N 2.88Å; F591-R594 CarbonylContact O-C 3.57Å; F591-R594 PolarHBondContact O-N 2.92Å; F591-G595 PolarHBondContact O-N 3.28Å; F591-A596 HydrophobicContact CB-CB 4.01Å; F591-A596 WeakPolarHBondContact O-CB 3.19Å; F591-A596 PolarHBondContact O-N 3.27Å
592	L	94.5	Very high	94.4	Very high	9 Å²	9	50 Å²	50	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-39.5	175.2	-75	175.4	0	0	0	112.8	L576 V588 T589 L590 R594 G595 I598 L622 N625 R629	L576-L592 HydrophobicContact CD2-CD2 4.2Å; V588-L592 HydrophobicContact CG1-CD1 3.77Å; V588-L592 HydrophobicContact CG1-CG 4.34Å; V588-L592 VanDerWaalsContact O-CB 3.3Å; V588-L592 WeakPolarHBondContact O-CB 3.21Å; V588-L592 WeakPolarHBondContact O-CG 3.29Å; V588-L592 PolarHBondContact O-N 3.29Å; T589-L592 PolarHBondContact O-N 2.89Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 3.04Å; L592-R594 VanDerWaalsContact C-N 3.34Å; L592-G595 PolarHBondContact O-N 3.02Å; L592-I598 HydrophobicContact CD2-CD1 3.51Å; L592-I598 HydrophobicContact CD2-CG1 3.55Å; L592-L622 HydrophobicContact CD1-CD2 4.16Å; L592-L622 HydrophobicContact CD2-CD2 4.22Å; L592-L622 HydrophobicContact CG-CD2 4.49Å; L592-N625 HydrophobicContact CD1-CB 4Å; L592-N625 HydrophobicContact CD2-CB 4.06Å; L592-R629 PolarHBondContact O-NH2 3.05Å
593	S	93.6	Very high	94.4	Very high	88 Å²	88	55.2 Å²	55.2	62%	0.615	29%	0.292	S	S	*	.	H	α-helix	trans	-70.6	-28.6	175.5	72.4	0	0	0	0	113.3	T589 L590 F591 G595	T589-S593 WeakPolarHBondContact O-CB 3.42Å; T589-S593 PolarHBondContact O-N 2.8Å; T589-S593 PolarHBondContact O-OG 3.28Å; L590-S593 PolarHBondContact O-N 2.88Å; L590-S593 VanDerWaalsContact O-N 3.13Å; L590-S593 PolarHBondContact O-OG 2.83Å; F591-S593 PolarHBondContact O-N 2.88Å; S593-G595 PolarHBondContact O-N 3.39Å
594	R	92.4	Very high	94.3	Very high	98 Å²	98	60 Å²	60	37%	0.37	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	17.3	174.2	-57.9	-69.4	170.2	93.3	4	112.7	E556 L559 N560 L565 L590 F591 L592	E556-R594 IonicContact OE1-CZ 3.97Å; E556-R594 IonicContact OE1-NH2 3.99Å; E556-R594 PolarHBondContact OE1-NH2 3.21Å; L559-R594 HydrophobicContact CD1-CG 4.31Å; N560-R594 PolarHBondContact OD1-NH1 3.41Å; L565-R594 HydrophobicContact CD1-CB 3.54Å; L565-R594 VanDerWaalsContact CD1-O 3.24Å; L565-R594 WeakPolarHBondContact CD1-O 3.44Å; L590-R594 HydrophobicContact CD1-CG 4.01Å; L590-R594 WeakPolarHBondContact O-CG 3.46Å; L590-R594 PolarHBondContact O-N 3.38Å; F591-R594 CarbonylContact O-C 3.57Å; F591-R594 PolarHBondContact O-N 2.92Å; L592-R594 VanDerWaalsContact C-N 3.34Å
595	G	89.4	Confident	94.1	Very high	45 Å²	45	58.2 Å²	58.2	46%	0.464	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-2	168.8	0	0	0	0	0	116.6	F591 L592 S593 D597 R629	F591-G595 PolarHBondContact O-N 3.28Å; L592-G595 PolarHBondContact O-N 3.02Å; S593-G595 PolarHBondContact O-N 3.39Å; G595-D597 PolarHBondContact O-N 3.45Å; G595-R629 VanDerWaalsContact C-NH2 3.3Å; G595-R629 PolarHBondContact O-NH1 3.29Å; G595-R629 PolarHBondContact O-NH2 3.05Å
596	A	93.2	Very high	94.2	Very high	10 Å²	10	57.4 Å²	57.4	8%	0.083	31%	0.307	C	S	.	.			trans	-50.8	139	-175.5	0	0	0	0	0	113.2	L565 L576 F591 R629	L565-A596 HydrophobicContact CB-CB 4.5Å; L565-A596 HydrophobicContact CD1-CB 4.45Å; L565-A596 HydrophobicContact CD2-CB 4.33Å; L576-A596 HydrophobicContact CD2-CB 4.04Å; F591-A596 HydrophobicContact CB-CB 4.01Å; F591-A596 WeakPolarHBondContact O-CB 3.19Å; F591-A596 PolarHBondContact O-N 3.27Å; A596-R629 PolarHBondContact O-NH1 2.84Å; A596-R629 VanDerWaalsContact O-NH1 3.09Å; A596-R629 PolarHBondContact O-NH2 2.92Å
597	D	89.9	Confident	94.1	Very high	82 Å²	82	52.2 Å²	52.2	44%	0.439	28%	0.283	S	S	.	.			trans	-74.7	145.8	-177.4	-170.6	11.9	0	0	0	112.3	L576 G595 D599 I600	L576-D597 WeakPolarHBondContact CD2-O 3.41Å; G595-D597 PolarHBondContact O-N 3.45Å; D597-D599 PolarHBondContact OD1-N 2.7Å; D597-I600 HydrophobicContact CB-CB 4.21Å; D597-I600 HydrophobicContact CB-CG2 3.94Å; D597-I600 WeakPolarHBondContact O-CG2 3.42Å; D597-I600 PolarHBondContact OD2-N 3.36Å
598	I	91.2	Very high	94	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-112.3	-23.7	-176	-45.8	169.8	0	0	0	111.1	L592 L609 L622 N625 R626	L592-I598 HydrophobicContact CD2-CD1 3.51Å; L592-I598 HydrophobicContact CD2-CG1 3.55Å; I598-L609 HydrophobicContact CG2-CB 4.43Å; I598-L622 HydrophobicContact CG2-CD2 4.12Å; I598-N625 HydrophobicContact CD1-CB 3.72Å; I598-N625 WeakPolarHBondContact CD1-OD1 3.3Å; I598-R626 HydrophobicContact CD1-CB 4.34Å; I598-R626 HydrophobicContact CG2-CB 4.17Å; I598-R626 HydrophobicContact CG2-CG 4.41Å
599	D	90.4	Very high	93.9	Very high	60 Å²	60	52.6 Å²	52.6	32%	0.321	29%	0.285	S	S	.	.	S	Bend	trans	-96.1	-4.8	-179.3	-83.9	-51.8	0	0	0	112.4	D597 R626 R630	D597-D599 PolarHBondContact OD1-N 2.7Å; D599-R626 IonicContact OD1-CZ 3.86Å; D599-R626 IonicContact OD1-NE 3.87Å; D599-R626 PolarHBondContact OD1-NE 3.21Å; D599-R626 IonicContact OD1-NH2 3.61Å; D599-R626 PolarHBondContact OD1-NH2 2.9Å; D599-R626 IonicContact OD2-NE 2.76Å; D599-R630 IonicContact OD1-CZ 2.75Å; D599-R630 IonicContact OD1-NH2 3.51Å; D599-R630 PolarHBondContact OD1-NH2 3.17Å; D599-R630 IonicContact OD2-CZ 3.86Å; D599-R630 IonicContact OD2-NE 2.72Å; D599-R630 PolarHBondContact OD2-NE 2.94Å; D599-R630 IonicContact OD2-NH2 3.22Å; D599-R630 PolarHBondContact OD2-NH2 2.94Å
600	I	92.6	Very high	93.8	Very high	49 Å²	49	52.6 Å²	52.6	25%	0.251	29%	0.288	S	S	.	.			trans	-58.5	142.8	164.9	-174.1	164.4	0	0	0	111.8	T574 D597 T607 P608	T574-I600 HydrophobicContact CG2-CD1 3.93Å; D597-I600 HydrophobicContact CB-CB 4.21Å; D597-I600 HydrophobicContact CB-CG2 3.94Å; D597-I600 WeakPolarHBondContact O-CG2 3.42Å; D597-I600 PolarHBondContact OD2-N 3.36Å; I600-T607 WeakPolarHBondContact O-CA 3.41Å; I600-P608 WeakPolarHBondContact O-CD 3.46Å
601	M	95.1	Very high	93.7	Very high	124 Å²	124	53.5 Å²	53.5	61%	0.611	29%	0.293	S	S	*	.			trans	-117	143.8	178.6	-63.6	173.4	-68.4	0	0	111.3	D606 T607	M601-D606 CarbonylContact C-O 3.59Å; M601-D606 VanDerWaalsContact CA-O 3.27Å; M601-D606 WeakPolarHBondContact CA-O 3.16Å; M601-T607 HydrophobicContact CG-CG2 3.76Å
602	N	95.2	Very high	93.6	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.064	29%	0.294	C	S	.	.			trans	-78.3	-174.9	168.2	76.1	6.4	0	0	0	111.5	D573 H577 E604 G605 D606	D573-N602 PolarHBondContact OD1-ND2 2.86Å; H577-N602 PolarHBondContact NE2-N 3.49Å; N602-E604 PolarHBondContact O-N 2.86Å; N602-E604 WeakPolarHBondContact OD1-CA 3.17Å; N602-E604 WeakPolarHBondContact OD1-CB 3.3Å; N602-E604 PolarHBondContact OD1-N 2.96Å; N602-G605 PolarHBondContact O-N 2.95Å; N602-G605 VanDerWaalsContact O-N 3.14Å; N602-G605 PolarHBondContact OD1-N 3Å; N602-D606 PolarHBondContact N-O 3.33Å; N602-D606 PolarHBondContact OD1-N 2.67Å; N602-D606 PolarHBondContact OD1-O 3.14Å
603	R	95.5	Very high	93.4	Very high	182 Å²	182	62.5 Å²	62.5	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.6	-178.3	-66.7	-179.7	-178.3	-172.1	-0.4	114.3	V570 H571 G605	V570-R603 VanDerWaalsContact O-CD 3.25Å; V570-R603 WeakPolarHBondContact O-CD 3.5Å; V570-R603 PolarHBondContact O-NE 3.11Å; V570-R603 VanDerWaalsContact O-NE 3.13Å; V570-R603 PolarHBondContact O-NH1 3.47Å; H571-R603 VanDerWaalsContact O-CB 3.24Å; H571-R603 WeakPolarHBondContact O-CB 3.45Å; H571-R603 WeakPolarHBondContact O-CG 3.49Å; H571-R603 PolarHBondContact O-N 3.41Å; R603-G605 VanDerWaalsContact C-N 3.3Å
604	E	93.6	Very high	93.3	Very high	144 Å²	144	62.8 Å²	62.8	67%	0.673	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.1	177.5	-64.3	172.1	-169.9	0	0	111.3	N602 D606	N602-E604 PolarHBondContact O-N 2.86Å; N602-E604 WeakPolarHBondContact OD1-CA 3.17Å; N602-E604 WeakPolarHBondContact OD1-CB 3.3Å; N602-E604 PolarHBondContact OD1-N 2.96Å; E604-D606 VanDerWaalsContact C-N 3.33Å
605	G	93.4	Very high	93	Very high	46 Å²	46	64.6 Å²	64.6	47%	0.474	34%	0.344	S	S	.	.	S	Bend	trans	86.1	4.2	-176.8	0	0	0	0	0	113.5	N602 R603	N602-G605 PolarHBondContact O-N 2.95Å; N602-G605 VanDerWaalsContact O-N 3.14Å; N602-G605 PolarHBondContact OD1-N 3Å; R603-G605 VanDerWaalsContact C-N 3.3Å
606	D	96.1	Very high	93.2	Very high	51 Å²	51	64.5 Å²	64.5	27%	0.273	33%	0.334	S	S	.	.			trans	-83.2	140.8	-178.1	-108.6	-45.8	0	0	0	111.7	H577 M601 N602 E604 S610 L611	H577-D606 PolarHBondContact NE2-O 3.23Å; M601-D606 CarbonylContact C-O 3.59Å; M601-D606 VanDerWaalsContact CA-O 3.27Å; M601-D606 WeakPolarHBondContact CA-O 3.16Å; N602-D606 PolarHBondContact N-O 3.33Å; N602-D606 PolarHBondContact OD1-N 2.67Å; N602-D606 PolarHBondContact OD1-O 3.14Å; E604-D606 VanDerWaalsContact C-N 3.33Å; D606-S610 WeakPolarHBondContact OD1-CB 3.39Å; D606-S610 PolarHBondContact OD1-OG 3.26Å; D606-L611 HydrophobicContact CB-CD2 3.85Å; D606-L611 HydrophobicContact CB-CG 4.04Å
607	T	96.1	Very high	93.2	Very high	15 Å²	15	68.2 Å²	68.2	9%	0.092	36%	0.357	C	S	.	.			trans	-98.3	161.9	171.8	63.5	0	0	0	0	110.1	I600 M601 L609 S610 L611	I600-T607 WeakPolarHBondContact O-CA 3.41Å; M601-T607 HydrophobicContact CG-CG2 3.76Å; T607-L609 PolarHBondContact O-N 3.25Å; T607-L609 VanDerWaalsContact O-N 3.08Å; T607-L609 PolarHBondContact OG1-N 2.89Å; T607-S610 PolarHBondContact N-OG 2.9Å; T607-S610 PolarHBondContact O-N 3.02Å; T607-S610 PolarHBondContact O-OG 2.79Å; T607-S610 VanDerWaalsContact O-OG 3.05Å; T607-S610 PolarHBondContact OG1-N 2.97Å; T607-S610 PolarHBondContact OG1-OG 3.26Å; T607-L611 PolarHBondContact O-N 3.13Å; T607-L611 VanDerWaalsContact O-N 3.12Å
608	P	95.4	Very high	93.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-55.2	-30	172.1	-25	34	0	0	0	113.6	L576 A580 I600 A612 L622	L576-P608 HydrophobicContact CB-CG 4.39Å; L576-P608 HydrophobicContact CD2-CB 4.28Å; L576-P608 HydrophobicContact CD2-CG 4.19Å; L576-P608 HydrophobicContact CG-CB 3.89Å; L576-P608 HydrophobicContact CG-CG 4.03Å; A580-P608 HydrophobicContact CB-CB 4.1Å; A580-P608 WeakPolarHBondContact CB-O 3.33Å; I600-P608 WeakPolarHBondContact O-CD 3.46Å; P608-A612 WeakPolarHBondContact O-CB 3.31Å; P608-A612 PolarHBondContact O-N 2.9Å; P608-L622 HydrophobicContact CB-CD2 4.34Å
609	L	94.9	Very high	93.7	Very high	9 Å²	9	67.4 Å²	67.4	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-77.2	-25.9	178.2	178.6	60.6	0	0	0	113.8	I598 T607 W619 L622 Q623 R626	I598-L609 HydrophobicContact CG2-CB 4.43Å; T607-L609 PolarHBondContact O-N 3.25Å; T607-L609 VanDerWaalsContact O-N 3.08Å; T607-L609 PolarHBondContact OG1-N 2.89Å; L609-W619 HydrophobicContact CD1-CD2 4.44Å; L609-W619 HydrophobicContact CD1-CG 4.01Å; L609-L622 HydrophobicContact CB-CB 4.32Å; L609-L622 HydrophobicContact CD1-CB 3.68Å; L609-Q623 HydrophobicContact CD1-CB 4.23Å; L609-R626 VanDerWaalsContact CD2-CD 3.42Å
610	S	94.2	Very high	93.8	Very high	66 Å²	66	67.5 Å²	67.5	46%	0.462	35%	0.351	S	S	.	.	H	α-helix	trans	-85.5	-29.9	176	47.3	0	0	0	0	112.6	D606 T607 A612	D606-S610 WeakPolarHBondContact OD1-CB 3.39Å; D606-S610 PolarHBondContact OD1-OG 3.26Å; T607-S610 PolarHBondContact N-OG 2.9Å; T607-S610 PolarHBondContact O-N 3.02Å; T607-S610 PolarHBondContact O-OG 2.79Å; T607-S610 VanDerWaalsContact O-OG 3.05Å; T607-S610 PolarHBondContact OG1-N 2.97Å; T607-S610 PolarHBondContact OG1-OG 3.26Å; S610-A612 VanDerWaalsContact C-N 3.29Å; S610-A612 PolarHBondContact O-N 3.28Å
611	L	93.8	Very high	93.9	Very high	32 Å²	32	66.5 Å²	66.5	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-67.5	-27.6	167.4	-63.3	179.1	0	0	0	113	H577 R581 D606 T607 R613	H577-L611 HydrophobicContact CB-CD1 3.8Å; R581-L611 HydrophobicContact CB-CB 4.26Å; D606-L611 HydrophobicContact CB-CD2 3.85Å; D606-L611 HydrophobicContact CB-CG 4.04Å; T607-L611 PolarHBondContact O-N 3.13Å; T607-L611 VanDerWaalsContact O-N 3.12Å; L611-R613 PolarHBondContact O-N 2.95Å
612	A	94.5	Very high	93.8	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.025	32%	0.319	C	S	.	.	S	Bend	trans	-70.1	123	177.5	0	0	0	0	0	112	A580 P608 S610 V618 W619 L622	A580-A612 HydrophobicContact CB-CB 4.41Å; P608-A612 WeakPolarHBondContact O-CB 3.31Å; P608-A612 PolarHBondContact O-N 2.9Å; S610-A612 VanDerWaalsContact C-N 3.29Å; S610-A612 PolarHBondContact O-N 3.28Å; A612-V618 HydrophobicContact CB-CG1 3.88Å; A612-W619 HydrophobicContact CB-CB 4.01Å; A612-L622 HydrophobicContact CB-CD1 3.76Å
613	R	91.1	Very high	93.7	Very high	194 Å²	194	62.4 Å²	62.4	73%	0.732	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-58.6	129.4	178	-61.8	-179	69.9	172.7	3.4	110.9	L611 T616 W619	L611-R613 PolarHBondContact O-N 2.95Å; R613-T616 HydrophobicContact CB-CG2 3.84Å; R613-T616 WeakPolarHBondContact O-CB 3.39Å; R613-T616 VanDerWaalsContact O-CG2 3.3Å; R613-T616 WeakPolarHBondContact O-CG2 3.5Å; R613-T616 PolarHBondContact O-N 3.14Å; R613-T616 PolarHBondContact O-OG1 3.28Å; R613-W619 VanDerWaalsContact O-CB 3.28Å; R613-W619 WeakPolarHBondContact O-CB 3.19Å
614	P	90.4	Very high	93.4	Very high	94 Å²	94	58.1 Å²	58.1	61%	0.61	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	151.5	-179.6	-29.8	35.9	0	0	0	114.2	T616	P614-T616 PolarHBondContact O-N 3.44Å
615	D	86.9	Confident	93.2	Very high	137 Å²	137	53 Å²	53	73%	0.733	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	5.3	-180	-55.9	-42.8	0	0	0	116.3
616	T	94.1	Very high	93	Very high	43 Å²	43	53.8 Å²	53.8	26%	0.264	28%	0.283	S	S	.	.	S	Bend	trans	-75.6	155.2	170.4	63.3	0	0	0	0	112	R613 P614 V618 W619 V620	R613-T616 HydrophobicContact CB-CG2 3.84Å; R613-T616 WeakPolarHBondContact O-CB 3.39Å; R613-T616 VanDerWaalsContact O-CG2 3.3Å; R613-T616 WeakPolarHBondContact O-CG2 3.5Å; R613-T616 PolarHBondContact O-N 3.14Å; R613-T616 PolarHBondContact O-OG1 3.28Å; P614-T616 PolarHBondContact O-N 3.44Å; T616-V618 PolarHBondContact O-N 3.01Å; T616-W619 PolarHBondContact O-N 2.79Å; T616-W619 VanDerWaalsContact O-N 3.11Å; T616-W619 PolarHBondContact OG1-N 3.13Å; T616-V620 WeakPolarHBondContact O-CG2 3.31Å; T616-V620 PolarHBondContact O-N 2.84Å
617	P	93.8	Very high	92.5	Very high	87 Å²	87	57.9 Å²	57.9	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-54.7	-32.8	172.7	-28.5	36.9	0	0	0	113.9	L585 S621	L585-P617 HydrophobicContact CD1-CB 4.26Å; L585-P617 HydrophobicContact CD2-CB 3.83Å; P617-S621 VanDerWaalsContact O-CB 3.3Å; P617-S621 WeakPolarHBondContact O-CB 3.44Å; P617-S621 PolarHBondContact O-N 3.29Å
618	V	95.7	Very high	91.8	Very high	5 Å²	5	62 Å²	62	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-52.9	174.1	165.2	0	0	0	0	111.1	A580 G583 L585 V588 A612 T616 V620 S621 L622	A580-V618 HydrophobicContact CB-CG1 4.25Å; G583-V618 WeakPolarHBondContact O-CG2 3.37Å; L585-V618 HydrophobicContact CB-CG2 3.95Å; L585-V618 HydrophobicContact CD1-CG2 4.42Å; V588-V618 HydrophobicContact CG2-CG1 4.1Å; V588-V618 HydrophobicContact CG2-CG2 4.38Å; A612-V618 HydrophobicContact CB-CG1 3.88Å; T616-V618 PolarHBondContact O-N 3.01Å; V618-V620 VanDerWaalsContact C-N 3.3Å; V618-V620 PolarHBondContact O-N 2.98Å; V618-S621 PolarHBondContact O-N 3.31Å; V618-L622 HydrophobicContact CG1-CD1 3.71Å; V618-L622 WeakPolarHBondContact O-CG 3.31Å; V618-L622 PolarHBondContact O-N 3.11Å
619	W	95.3	Very high	90.8	Very high	63 Å²	63	65.8 Å²	65.8	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-41.7	177.3	-178	93.7	0	0	0	111.2	L609 A612 R613 T616 L622 Q623	L609-W619 HydrophobicContact CD1-CD2 4.44Å; L609-W619 HydrophobicContact CD1-CG 4.01Å; A612-W619 HydrophobicContact CB-CB 4.01Å; R613-W619 VanDerWaalsContact O-CB 3.28Å; R613-W619 WeakPolarHBondContact O-CB 3.19Å; T616-W619 PolarHBondContact O-N 2.79Å; T616-W619 VanDerWaalsContact O-N 3.11Å; T616-W619 PolarHBondContact OG1-N 3.13Å; W619-L622 PolarHBondContact O-N 3.38Å; W619-Q623 HydrophobicContact CE3-CB 4.36Å; W619-Q623 HydrophobicContact CH2-CG 4.24Å; W619-Q623 VanDerWaalsContact CZ2-NE2 3.29Å; W619-Q623 HydrophobicContact CZ3-CB 4.48Å; W619-Q623 HydrophobicContact CZ3-CG 4.24Å; W619-Q623 WeakPolarHBondContact O-CB 3.42Å; W619-Q623 PolarHBondContact O-N 3.09Å
620	V	93.3	Very high	89.7	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.37	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.1	173.2	0	0	0	0	111.7	T616 V618 Q623 I624	T616-V620 WeakPolarHBondContact O-CG2 3.31Å; T616-V620 PolarHBondContact O-N 2.84Å; V618-V620 VanDerWaalsContact C-N 3.3Å; V618-V620 PolarHBondContact O-N 2.98Å; V620-Q623 PolarHBondContact O-N 3.46Å; V620-I624 HydrophobicContact CG1-CD1 3.67Å; V620-I624 HydrophobicContact CG1-CG1 4.36Å; V620-I624 WeakPolarHBondContact O-CB 3.24Å; V620-I624 VanDerWaalsContact O-CG1 3.23Å; V620-I624 WeakPolarHBondContact O-CG1 3.39Å; V620-I624 PolarHBondContact O-N 3.47Å
621	S	93.1	Very high	88.1	Confident	29 Å²	29	69.5 Å²	69.5	20%	0.203	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-47.2	177.5	-171.9	0	0	0	0	111.9	P617 V618 I624 N625	P617-S621 VanDerWaalsContact O-CB 3.3Å; P617-S621 WeakPolarHBondContact O-CB 3.44Å; P617-S621 PolarHBondContact O-N 3.29Å; V618-S621 PolarHBondContact O-N 3.31Å; S621-I624 PolarHBondContact O-N 2.94Å; S621-N625 WeakPolarHBondContact O-CB 3.43Å; S621-N625 PolarHBondContact O-N 3.04Å
622	L	94	Very high	86.3	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-44.2	176	-71	161.5	0	0	0	111.9	L576 A580 V588 L592 I598 P608 L609 A612 V618 W619 N625 R626	L576-L622 HydrophobicContact CD1-CD2 4.24Å; L576-L622 HydrophobicContact CD2-CD2 4.3Å; L576-L622 HydrophobicContact CG-CD2 4.46Å; A580-L622 HydrophobicContact CB-CD1 3.8Å; V588-L622 HydrophobicContact CG1-CD1 4.39Å; V588-L622 HydrophobicContact CG1-CD2 4.06Å; V588-L622 HydrophobicContact CG1-CG 3.94Å; L592-L622 HydrophobicContact CD1-CD2 4.16Å; L592-L622 HydrophobicContact CD2-CD2 4.22Å; L592-L622 HydrophobicContact CG-CD2 4.49Å; I598-L622 HydrophobicContact CG2-CD2 4.12Å; P608-L622 HydrophobicContact CB-CD2 4.34Å; L609-L622 HydrophobicContact CB-CB 4.32Å; L609-L622 HydrophobicContact CD1-CB 3.68Å; A612-L622 HydrophobicContact CB-CD1 3.76Å; V618-L622 HydrophobicContact CG1-CD1 3.71Å; V618-L622 WeakPolarHBondContact O-CG 3.31Å; V618-L622 PolarHBondContact O-N 3.11Å; W619-L622 PolarHBondContact O-N 3.38Å; L622-N625 PolarHBondContact O-N 3.27Å; L622-R626 WeakPolarHBondContact O-CB 3.37Å; L622-R626 PolarHBondContact O-N 3.38Å
623	Q	92.3	Very high	84.2	Confident	49 Å²	49	75.9 Å²	75.9	23%	0.229	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.4	177.4	83.9	-58.3	0	0	111.4	L609 W619 V620 K627	L609-Q623 HydrophobicContact CD1-CB 4.23Å; W619-Q623 HydrophobicContact CE3-CB 4.36Å; W619-Q623 HydrophobicContact CH2-CG 4.24Å; W619-Q623 VanDerWaalsContact CZ2-NE2 3.29Å; W619-Q623 HydrophobicContact CZ3-CB 4.48Å; W619-Q623 HydrophobicContact CZ3-CG 4.24Å; W619-Q623 WeakPolarHBondContact O-CB 3.42Å; W619-Q623 PolarHBondContact O-N 3.09Å; V620-Q623 PolarHBondContact O-N 3.46Å; Q623-K627 WeakPolarHBondContact O-CB 3.25Å; Q623-K627 VanDerWaalsContact O-CG 3.31Å; Q623-K627 WeakPolarHBondContact O-CG 3.35Å; Q623-K627 PolarHBondContact O-N 3.1Å
624	I	89.1	Confident	82	Confident	92 Å²	92	73.3 Å²	73.3	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-48.1	175.8	-72.3	170.6	0	0	0	110.2	V620 S621 R626 K627 L628	V620-I624 HydrophobicContact CG1-CD1 3.67Å; V620-I624 HydrophobicContact CG1-CG1 4.36Å; V620-I624 WeakPolarHBondContact O-CB 3.24Å; V620-I624 VanDerWaalsContact O-CG1 3.23Å; V620-I624 WeakPolarHBondContact O-CG1 3.39Å; V620-I624 PolarHBondContact O-N 3.47Å; S621-I624 PolarHBondContact O-N 2.94Å; I624-R626 PolarHBondContact O-N 2.87Å; I624-K627 CarbonylContact O-C 3.53Å; I624-K627 PolarHBondContact O-N 2.9Å; I624-L628 HydrophobicContact CG2-CD1 3.76Å; I624-L628 HydrophobicContact CG2-CG 4.19Å; I624-L628 WeakPolarHBondContact O-CB 3.48Å; I624-L628 WeakPolarHBondContact O-CG 3.47Å; I624-L628 PolarHBondContact O-N 3.35Å
625	N	90.4	Very high	79.9	Confident	38 Å²	38	78.9 Å²	78.9	20%	0.203	40%	0.398	C	S	.	.	H	α-helix	trans	-66.2	-37.7	-178.5	-155.8	-69	0	0	0	111.6	L592 I598 S621 L622 L628 R629	L592-N625 HydrophobicContact CD1-CB 4Å; L592-N625 HydrophobicContact CD2-CB 4.06Å; I598-N625 HydrophobicContact CD1-CB 3.72Å; I598-N625 WeakPolarHBondContact CD1-OD1 3.3Å; S621-N625 WeakPolarHBondContact O-CB 3.43Å; S621-N625 PolarHBondContact O-N 3.04Å; L622-N625 PolarHBondContact O-N 3.27Å; N625-L628 PolarHBondContact O-N 3.14Å; N625-R629 WeakPolarHBondContact O-CB 3.13Å; N625-R629 WeakPolarHBondContact O-CG 3.37Å; N625-R629 PolarHBondContact O-N 3.22Å; N625-R629 PolarHBondContact OD1-NE 3.11Å
626	R	89.1	Confident	77.9	Confident	61 Å²	61	78.8 Å²	78.8	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-42.3	171.4	-165.1	179.8	-167.4	-163.3	14.7	111.8	I598 D599 L609 L622 I624 R630	I598-R626 HydrophobicContact CD1-CB 4.34Å; I598-R626 HydrophobicContact CG2-CB 4.17Å; I598-R626 HydrophobicContact CG2-CG 4.41Å; D599-R626 IonicContact OD1-CZ 3.86Å; D599-R626 IonicContact OD1-NE 3.87Å; D599-R626 PolarHBondContact OD1-NE 3.21Å; D599-R626 IonicContact OD1-NH2 3.61Å; D599-R626 PolarHBondContact OD1-NH2 2.9Å; D599-R626 IonicContact OD2-NE 2.76Å; L609-R626 VanDerWaalsContact CD2-CD 3.42Å; L622-R626 WeakPolarHBondContact O-CB 3.37Å; L622-R626 PolarHBondContact O-N 3.38Å; I624-R626 PolarHBondContact O-N 2.87Å; R626-R630 VanDerWaalsContact NE-NH2 3.2Å; R626-R630 WeakPolarHBondContact O-CB 3.39Å; R626-R630 VanDerWaalsContact O-CG 3.24Å; R626-R630 WeakPolarHBondContact O-CG 3.48Å; R626-R630 PolarHBondContact O-N 3.17Å
627	K	85.8	Confident	75.7	Confident	138 Å²	138	82.9 Å²	82.9	60%	0.6	42%	0.416	S	S	*	.	H	α-helix	trans	-67.2	-37.6	173.5	-77.4	178.9	179.4	-177.1	0	112.8	Q623 I624 G631	Q623-K627 WeakPolarHBondContact O-CB 3.25Å; Q623-K627 VanDerWaalsContact O-CG 3.31Å; Q623-K627 WeakPolarHBondContact O-CG 3.35Å; Q623-K627 PolarHBondContact O-N 3.1Å; I624-K627 CarbonylContact O-C 3.53Å; I624-K627 PolarHBondContact O-N 2.9Å; K627-G631 PolarHBondContact O-N 3.1Å
628	L	80.4	Confident	73.7	Confident	102 Å²	102	82.9 Å²	82.9	53%	0.534	41%	0.405	S	S	.	.	H	α-helix	trans	-67.8	-47.9	175.6	-73.1	172.4	0	0	0	111.1	I624 N625 R630 G631 I632	I624-L628 HydrophobicContact CG2-CD1 3.76Å; I624-L628 HydrophobicContact CG2-CG 4.19Å; I624-L628 WeakPolarHBondContact O-CB 3.48Å; I624-L628 WeakPolarHBondContact O-CG 3.47Å; I624-L628 PolarHBondContact O-N 3.35Å; N625-L628 PolarHBondContact O-N 3.14Å; L628-R630 VanDerWaalsContact C-N 3.35Å; L628-R630 PolarHBondContact O-N 2.95Å; L628-G631 CarbonylContact O-C 3.48Å; L628-G631 WeakPolarHBondContact O-CA 3.35Å; L628-G631 PolarHBondContact O-N 3.28Å; L628-G631 VanDerWaalsContact O-N 3.1Å; L628-I632 WeakPolarHBondContact O-CB 3.22Å; L628-I632 VanDerWaalsContact O-CG1 3.24Å; L628-I632 WeakPolarHBondContact O-CG1 3.27Å; L628-I632 PolarHBondContact O-N 3.46Å
629	R	75.1	Confident	71.7	Confident	78 Å²	78	88.6 Å²	88.6	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.2	-70.7	-171.9	-168.4	-152.2	6.7	112.1	L592 G595 A596 N625 I632 A633	L592-R629 PolarHBondContact O-NH2 3.05Å; G595-R629 VanDerWaalsContact C-NH2 3.3Å; G595-R629 PolarHBondContact O-NH1 3.29Å; G595-R629 PolarHBondContact O-NH2 3.05Å; A596-R629 PolarHBondContact O-NH1 2.84Å; A596-R629 VanDerWaalsContact O-NH1 3.09Å; A596-R629 PolarHBondContact O-NH2 2.92Å; N625-R629 WeakPolarHBondContact O-CB 3.13Å; N625-R629 WeakPolarHBondContact O-CG 3.37Å; N625-R629 PolarHBondContact O-N 3.22Å; N625-R629 PolarHBondContact OD1-NE 3.11Å; R629-I632 PolarHBondContact O-N 3.28Å; R629-A633 WeakPolarHBondContact O-CB 3.43Å; R629-A633 PolarHBondContact O-N 3.06Å
630	R	72	Confident	70.3	Confident	121 Å²	121	89.8 Å²	89.8	46%	0.457	45%	0.448	S	S	.	.	H	α-helix	trans	-68.2	-34.5	172.4	-69.3	171.6	-177.7	-150.2	-4.7	112.5	D599 R626 L628 I632 N634	D599-R630 IonicContact OD1-CZ 2.75Å; D599-R630 IonicContact OD1-NH2 3.51Å; D599-R630 PolarHBondContact OD1-NH2 3.17Å; D599-R630 IonicContact OD2-CZ 3.86Å; D599-R630 IonicContact OD2-NE 2.72Å; D599-R630 PolarHBondContact OD2-NE 2.94Å; D599-R630 IonicContact OD2-NH2 3.22Å; D599-R630 PolarHBondContact OD2-NH2 2.94Å; R626-R630 VanDerWaalsContact NE-NH2 3.2Å; R626-R630 WeakPolarHBondContact O-CB 3.39Å; R626-R630 VanDerWaalsContact O-CG 3.24Å; R626-R630 WeakPolarHBondContact O-CG 3.48Å; R626-R630 PolarHBondContact O-N 3.17Å; L628-R630 VanDerWaalsContact C-N 3.35Å; L628-R630 PolarHBondContact O-N 2.95Å; R630-I632 VanDerWaalsContact C-N 3.33Å; R630-N634 VanDerWaalsContact O-CB 3.31Å; R630-N634 WeakPolarHBondContact O-CB 3.29Å; R630-N634 VanDerWaalsContact O-CG 3.25Å; R630-N634 PolarHBondContact O-N 3.15Å; R630-N634 PolarHBondContact O-OD1 3.08Å
631	G	60.1	Low	69.6	Low	33 Å²	33	91.8 Å²	91.8	34%	0.34	45%	0.449	S	S	.	.	H	α-helix	trans	-69.7	-27	171.2	0	0	0	0	0	113.9	K627 L628 R635	K627-G631 PolarHBondContact O-N 3.1Å; L628-G631 CarbonylContact O-C 3.48Å; L628-G631 WeakPolarHBondContact O-CA 3.35Å; L628-G631 PolarHBondContact O-N 3.28Å; L628-G631 VanDerWaalsContact O-N 3.1Å; G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.45Å; G631-R635 VanDerWaalsContact O-CG 3.29Å; G631-R635 WeakPolarHBondContact O-CG 3.4Å; G631-R635 PolarHBondContact O-N 3.01Å
632	I	55.8	Low	69.4	Low	107 Å²	107	96.2 Å²	96.2	55%	0.549	47%	0.469	S	S	.	.	H	α-helix	trans	-79	-43.1	173.4	-70.7	161.7	0	0	0	110	L628 R629 R630 N634 R635 L636	L628-I632 WeakPolarHBondContact O-CB 3.22Å; L628-I632 VanDerWaalsContact O-CG1 3.24Å; L628-I632 WeakPolarHBondContact O-CG1 3.27Å; L628-I632 PolarHBondContact O-N 3.46Å; R629-I632 PolarHBondContact O-N 3.28Å; R630-I632 VanDerWaalsContact C-N 3.33Å; I632-N634 VanDerWaalsContact C-N 3.35Å; I632-N634 PolarHBondContact O-N 3.5Å; I632-R635 CarbonylContact O-C 3.57Å; I632-R635 VanDerWaalsContact O-C 3.3Å; I632-R635 WeakPolarHBondContact O-CA 3.45Å; I632-R635 WeakPolarHBondContact O-CB 3.4Å; I632-R635 PolarHBondContact O-N 3.25Å; I632-L636 PolarHBondContact O-N 3.22Å
633	A	50.9	Low	69.2	Low	61 Å²	61	99.2 Å²	99.2	50%	0.504	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-42.2	171.8	0	0	0	0	0	111.7	R629 R635 L636	R629-A633 WeakPolarHBondContact O-CB 3.43Å; R629-A633 PolarHBondContact O-N 3.06Å; A633-R635 VanDerWaalsContact C-N 3.27Å; A633-R635 PolarHBondContact O-N 2.95Å; A633-L636 WeakPolarHBondContact O-CB 3.46Å; A633-L636 PolarHBondContact O-N 3.12Å
634	N	44.8	Very low	69.2	Low	141 Å²	141	98.6 Å²	98.6	75%	0.754	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.5	173.1	-68.8	12	0	0	0	113.4	R630 I632	R630-N634 VanDerWaalsContact O-CB 3.31Å; R630-N634 WeakPolarHBondContact O-CB 3.29Å; R630-N634 VanDerWaalsContact O-CG 3.25Å; R630-N634 PolarHBondContact O-N 3.15Å; R630-N634 PolarHBondContact O-OD1 3.08Å; I632-N634 VanDerWaalsContact C-N 3.35Å; I632-N634 PolarHBondContact O-N 3.5Å
635	R	46.7	Very low	69.4	Low	210 Å²	210	99 Å²	99	79%	0.792	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.2	164.9	-85.7	-179	169.9	-164.6	-3.4	112.6	G631 I632 A633 I637	G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.45Å; G631-R635 VanDerWaalsContact O-CG 3.29Å; G631-R635 WeakPolarHBondContact O-CG 3.4Å; G631-R635 PolarHBondContact O-N 3.01Å; I632-R635 CarbonylContact O-C 3.57Å; I632-R635 VanDerWaalsContact O-C 3.3Å; I632-R635 WeakPolarHBondContact O-CA 3.45Å; I632-R635 WeakPolarHBondContact O-CB 3.4Å; I632-R635 PolarHBondContact O-N 3.25Å; A633-R635 VanDerWaalsContact C-N 3.27Å; A633-R635 PolarHBondContact O-N 2.95Å; R635-I637 PolarHBondContact O-N 3.05Å
636	L	43.6	Very low	69.7	Low	135 Å²	135	98.2 Å²	98.2	71%	0.707	49%	0.492	S	S	*	.			trans	-79.4	41.5	173.3	-150.1	82.7	0	0	0	111.8	I632 A633 R638	I632-L636 PolarHBondContact O-N 3.22Å; A633-L636 WeakPolarHBondContact O-CB 3.46Å; A633-L636 PolarHBondContact O-N 3.12Å; L636-R638 PolarHBondContact O-N 3.03Å
637	I	48.4	Very low	70.1	Confident	129 Å²	129	95.8 Å²	95.8	66%	0.662	48%	0.484	S	S	*	.	S	Bend	trans	-50.3	118.6	136.1	-58.7	171.5	0	0	0	104.2	R635 T639	R635-I637 PolarHBondContact O-N 3.05Å; I637-T639 PolarHBondContact O-N 3.33Å; I637-T639 VanDerWaalsContact O-N 3.1Å
638	R	52.8	Low	70.5	Confident	88 Å²	88	89.2 Å²	89.2	33%	0.332	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-53.4	125.9	177.5	-71.9	172.5	149.8	89.1	3.3	106.7	L636 E640 A661 V662 D663 D664	L636-R638 PolarHBondContact O-N 3.03Å; R638-E640 PolarHBondContact O-N 3.02Å; R638-A661 WeakPolarHBondContact CB-O 3.48Å; R638-V662 PolarHBondContact NH1-O 3.01Å; R638-D663 PolarHBondContact NE-O 3.3Å; R638-D664 IonicContact CZ-OD1 3.34Å; R638-D664 IonicContact CZ-OD2 3.11Å; R638-D664 IonicContact NE-OD1 3.87Å; R638-D664 PolarHBondContact NE-OD1 3.15Å; R638-D664 IonicContact NH2-OD1 2.65Å; R638-D664 PolarHBondContact NH2-OD1 2.83Å; R638-D664 IonicContact NH2-OD2 2.77Å; R638-D664 PolarHBondContact NH2-OD2 3.47Å
639	T	52.9	Low	71.1	Confident	125 Å²	125	90.6 Å²	90.6	77%	0.767	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-50.9	116.9	174.2	45.5	0	0	0	0	107.9	I637 R641	I637-T639 PolarHBondContact O-N 3.33Å; I637-T639 VanDerWaalsContact O-N 3.1Å; T639-R641 WeakPolarHBondContact O-CG 3.45Å; T639-R641 PolarHBondContact O-N 3.45Å
640	E	65.8	Low	71.9	Confident	88 Å²	88	89.6 Å²	89.6	41%	0.411	47%	0.473	S	S	.	.			trans	-55.6	102.4	-165.1	-178.7	170.9	-91.9	0	0	110.6	R638 I642 V659 A661 R774	R638-E640 PolarHBondContact O-N 3.02Å; E640-I642 PolarHBondContact O-N 2.98Å; E640-V659 HydrophobicContact CG-CB 3.64Å; E640-V659 HydrophobicContact CG-CG1 4.19Å; E640-V659 HydrophobicContact CG-CG2 3.81Å; E640-A661 HydrophobicContact CB-CB 4.19Å; E640-A661 HydrophobicContact CG-CB 4.33Å; E640-R774 IonicContact OE1-CZ 3.86Å; E640-R774 IonicContact OE1-NH1 2.72Å; E640-R774 PolarHBondContact OE1-NH1 2.96Å; E640-R774 IonicContact OE1-NH2 3.81Å; E640-R774 PolarHBondContact OE1-NH2 3.12Å; E640-R774 IonicContact OE2-NH2 2.77Å; E640-R774 PolarHBondContact OE2-NH2 3.46Å
641	R	79.4	Confident	72.9	Confident	102 Å²	102	91.2 Å²	91.2	39%	0.385	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.3	-172.9	-70.4	-176.8	-69.6	-156.6	-6.2	108.4	T639 I643 V659 N660 D663 D664	T639-R641 WeakPolarHBondContact O-CG 3.45Å; T639-R641 PolarHBondContact O-N 3.45Å; R641-I643 PolarHBondContact O-N 3.21Å; R641-V659 CarbonylContact O-C 3.3Å; R641-V659 WeakPolarHBondContact O-CA 3.41Å; R641-N660 PolarHBondContact N-O 3.45Å; R641-N660 PolarHBondContact O-N 3.08Å; R641-D663 PolarHBondContact NH2-O 3.39Å; R641-D664 IonicContact CZ-OD1 3.67Å; R641-D664 IonicContact NH1-OD1 3.6Å; R641-D664 PolarHBondContact NH1-OD1 3.34Å; R641-D664 VanDerWaalsContact NH1-OD1 3.12Å; R641-D664 IonicContact NH2-OD1 2.77Å; R641-D664 PolarHBondContact NH2-OD1 2.96Å
642	I	87.1	Confident	74.7	Confident	123 Å²	123	90.9 Å²	90.9	63%	0.631	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	108.5	165.6	-55.1	174.1	0	0	0	106.9	E640 C644 V659	E640-I642 PolarHBondContact O-N 2.98Å; I642-C644 WeakPolarHBondContact CG2-O 3.37Å; I642-V659 HydrophobicContact CB-CG1 4.47Å; I642-V659 HydrophobicContact CG1-CG1 4.01Å
643	I	90.6	Very high	76.5	Confident	63 Å²	63	90.9 Å²	90.9	32%	0.323	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-29.8	179.8	-48.3	160.3	0	0	0	110.8	R641 C658 N660 E665 C667 W771	R641-I643 PolarHBondContact O-N 3.21Å; I643-C658 PolarHBondContact N-O 2.88Å; I643-N660 HydrophobicContact CD1-CB 3.43Å; I643-N660 VanDerWaalsContact CD1-CB 3.43Å; I643-N660 HydrophobicContact CG1-CB 4.3Å; I643-E665 WeakPolarHBondContact CD1-O 3.42Å; I643-C667 HydrophobicContact CB-CB 4.32Å; I643-C667 HydrophobicContact CG2-CB 3.9Å; I643-W771 HydrophobicContact CD1-CH2 3.98Å
644	C	93.2	Very high	78.5	Confident	36 Å²	36	89.8 Å²	89.8	24%	0.243	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.6	172	-169.1	0	0	0	0	109.8	I642 D646 V647 P657 C658 C667	I642-C644 WeakPolarHBondContact CG2-O 3.37Å; C644-D646 VanDerWaalsContact SG-C 3.57Å; C644-D646 PolarHBondContact SG-O 2.8Å; C644-D646 VanDerWaalsContact SG-O 3.4Å; C644-V647 HydrophobicContact CB-CG1 4.26Å; C644-P657 CarbonylContact O-C 3.55Å; C644-P657 WeakPolarHBondContact O-CA 3.39Å; C644-C658 HydrophobicContact CB-CB 3.87Å; C644-C658 PolarHBondContact N-O 3.45Å; C644-C658 PolarHBondContact O-N 2.98Å; C644-C667 HydrophobicContact CB-CB 4.22Å
645	S	93.2	Very high	81	Confident	99 Å²	99	86.7 Å²	86.7	69%	0.692	44%	0.444	S	S	*	.	S	Bend	trans	-73.9	-30.6	177.3	50.2	0	0	0	0	112.9	P657	S645-P657 WeakPolarHBondContact O-CA 3.18Å
646	D	96.7	Very high	83.4	Confident	23 Å²	23	76.7 Å²	76.7	12%	0.123	41%	0.406	C	S	.	.			trans	-156.4	111.9	173.9	-179.7	26	0	0	0	111.9	C644 A648 Q649 G650 P655 I656	C644-D646 VanDerWaalsContact SG-C 3.57Å; C644-D646 PolarHBondContact SG-O 2.8Å; C644-D646 VanDerWaalsContact SG-O 3.4Å; D646-A648 PolarHBondContact O-N 2.98Å; D646-A648 WeakPolarHBondContact OD1-CB 3.38Å; D646-A648 PolarHBondContact OD1-N 3.24Å; D646-Q649 PolarHBondContact O-N 3.01Å; D646-Q649 PolarHBondContact OD2-N 3.36Å; D646-G650 PolarHBondContact OD2-N 3.38Å; D646-P655 HydrophobicContact CB-CB 3.72Å; D646-P655 WeakPolarHBondContact OD1-CA 3.41Å; D646-I656 WeakPolarHBondContact CA-O 3.24Å; D646-I656 PolarHBondContact OD1-N 2.97Å
647	V	95.8	Very high	85.9	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.055	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.9	175	-56.1	0	0	0	0	113	C644 Q649 I656 C658 Y673 L763	C644-V647 HydrophobicContact CB-CG1 4.26Å; V647-Q649 VanDerWaalsContact C-N 3.28Å; V647-Q649 PolarHBondContact O-N 2.95Å; V647-I656 HydrophobicContact CG2-CB 4.15Å; V647-I656 HydrophobicContact CG2-CG2 4.16Å; V647-I656 PolarHBondContact N-O 2.94Å; V647-C658 HydrophobicContact CG1-CB 3.69Å; V647-Y673 HydrophobicContact CG2-CD2 4.22Å; V647-Y673 HydrophobicContact CG2-CE2 4.03Å; V647-Y673 WeakPolarHBondContact O-CD2 3.28Å; V647-L763 HydrophobicContact CG1-CD2 4.01Å
648	A	95.2	Very high	88.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.008	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.2	178.6	0	0	0	0	0	113.6	D646 G650 Y651 E652 Y673	D646-A648 PolarHBondContact O-N 2.98Å; D646-A648 WeakPolarHBondContact OD1-CB 3.38Å; D646-A648 PolarHBondContact OD1-N 3.24Å; A648-G650 PolarHBondContact O-N 3.17Å; A648-G650 VanDerWaalsContact O-N 3.09Å; A648-Y651 WeakPolarHBondContact O-CB 3.14Å; A648-Y651 WeakPolarHBondContact O-CD2 3.42Å; A648-Y651 PolarHBondContact O-N 3.24Å; A648-E652 HydrophobicContact CB-CB 4Å; A648-E652 HydrophobicContact CB-CG 3.59Å; A648-Y673 HydrophobicContact CB-CD1 4.24Å; A648-Y673 HydrophobicContact CB-CE1 3.68Å; A648-Y673 HydrophobicContact CB-CE2 4.05Å
649	Q	92.3	Very high	90.3	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.4	177.1	-53	-174.5	-37.6	0	0	114	D646 V647 Y651	D646-Q649 PolarHBondContact O-N 3.01Å; D646-Q649 PolarHBondContact OD2-N 3.36Å; V647-Q649 VanDerWaalsContact C-N 3.28Å; V647-Q649 PolarHBondContact O-N 2.95Å; Q649-Y651 HydrophobicContact CB-CD2 4.24Å
650	G	92.8	Very high	92.2	Very high	58 Å²	58	55.3 Å²	55.3	60%	0.598	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	9.4	-177.4	0	0	0	0	0	116	D646 A648	D646-G650 PolarHBondContact OD2-N 3.38Å; A648-G650 PolarHBondContact O-N 3.17Å; A648-G650 VanDerWaalsContact O-N 3.09Å
651	Y	93.9	Very high	93.2	Very high	154 Å²	154	52.3 Å²	52.3	60%	0.604	29%	0.288	S	S	*	.			trans	-79.6	-18.3	176.8	-78.1	-99.9	0	0	0	113.9	A648 Q649	A648-Y651 WeakPolarHBondContact O-CB 3.14Å; A648-Y651 WeakPolarHBondContact O-CD2 3.42Å; A648-Y651 PolarHBondContact O-N 3.24Å; Q649-Y651 HydrophobicContact CB-CD2 4.24Å
652	E	96.5	Very high	93.5	Very high	27 Å²	27	49.9 Å²	49.9	13%	0.126	28%	0.284	C	S	.	.	S	Bend	trans	-98.7	157.5	175.5	-65	-69.1	172.3	0	0	111.2	A648 I654 I656 Y673 I757	A648-E652 HydrophobicContact CB-CB 4Å; A648-E652 HydrophobicContact CB-CG 3.59Å; E652-I654 PolarHBondContact O-N 3.38Å; E652-I654 VanDerWaalsContact O-N 3.11Å; E652-I656 HydrophobicContact CG-CD1 4.35Å; E652-Y673 HydrophobicContact CG-CE1 4.26Å; E652-Y673 WeakPolarHBondContact CG-OH 3.29Å; E652-Y673 PolarHBondContact OE1-OH 3.04Å; E652-Y673 VanDerWaalsContact OE1-OH 3.09Å; E652-I757 HydrophobicContact CG-CD1 4.22Å; E652-I757 WeakPolarHBondContact OE2-CG1 3.47Å
653	N	93.4	Very high	93.4	Very high	107 Å²	107	46 Å²	46	57%	0.572	27%	0.265	S	S	*	.	S	Bend	trans	-60.7	-21.9	177.9	-62.3	-47.4	0	0	0	114	A755 I757	N653-A755 PolarHBondContact ND2-O 3.41Å; N653-I757 WeakPolarHBondContact CB-O 3.41Å; N653-I757 PolarHBondContact ND2-O 3.28Å
654	I	94.3	Very high	93.1	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.195	28%	0.277	C	S	.	.	S	Bend	trans	-139.5	131.2	-172.2	-61	-179.3	0	0	0	107.5	E652 K758 R760	E652-I654 PolarHBondContact O-N 3.38Å; E652-I654 VanDerWaalsContact O-N 3.11Å; I654-K758 VanDerWaalsContact CD1-C 3.45Å; I654-K758 WeakPolarHBondContact CD1-O 3.19Å; I654-R760 HydrophobicContact CG2-CG 4.13Å
655	P	96.4	Very high	92.9	Very high	75 Å²	75	50.6 Å²	50.6	49%	0.487	29%	0.285	S	S	.	.			trans	-67.5	140.4	178.4	27.8	-35	0	0	0	111.7	D646 P657	D646-P655 HydrophobicContact CB-CB 3.72Å; D646-P655 WeakPolarHBondContact OD1-CA 3.41Å; P655-P657 WeakPolarHBondContact O-CD 3.46Å
656	I	97.6	Very high	92.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.272	C	S	.	.			trans	-113.2	93.1	-177.6	-54	178.1	0	0	0	108.5	D646 V647 E652 I757 L761 I828	D646-I656 WeakPolarHBondContact CA-O 3.24Å; D646-I656 PolarHBondContact OD1-N 2.97Å; V647-I656 HydrophobicContact CG2-CB 4.15Å; V647-I656 HydrophobicContact CG2-CG2 4.16Å; V647-I656 PolarHBondContact N-O 2.94Å; E652-I656 HydrophobicContact CG-CD1 4.35Å; I656-I757 HydrophobicContact CD1-CD1 4.11Å; I656-L761 HydrophobicContact CG2-CB 4.35Å; I656-I828 HydrophobicContact CD1-CB 3.87Å; I656-I828 HydrophobicContact CD1-CG1 4.12Å; I656-I828 HydrophobicContact CD1-CG2 3.92Å; I656-I828 HydrophobicContact CG2-CD1 3.74Å; I656-I828 HydrophobicContact CG2-CG1 4.01Å
657	P	96.7	Very high	92.5	Very high	27 Å²	27	48.4 Å²	48.4	18%	0.175	28%	0.277	C	S	.	.			trans	-68.3	152.2	-178.8	26.5	-34.1	0	0	0	112.4	C644 S645 P655 Q762 L763	C644-P657 CarbonylContact O-C 3.55Å; C644-P657 WeakPolarHBondContact O-CA 3.39Å; S645-P657 WeakPolarHBondContact O-CA 3.18Å; P655-P657 WeakPolarHBondContact O-CD 3.46Å; P657-Q762 HydrophobicContact CG-CB 4.38Å; P657-Q762 HydrophobicContact CG-CG 4.19Å; P657-L763 PolarHBondContact O-N 3.48Å
658	C	97.1	Very high	92.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.5	172.1	-179.6	0	0	0	0	110.6	I643 C644 V647 L763 W771	I643-C658 PolarHBondContact N-O 2.88Å; C644-C658 HydrophobicContact CB-CB 3.87Å; C644-C658 PolarHBondContact N-O 3.45Å; C644-C658 PolarHBondContact O-N 2.98Å; V647-C658 HydrophobicContact CG1-CB 3.69Å; C658-L763 CarbonylContact C-O 3.59Å; C658-L763 VanDerWaalsContact CA-O 3.28Å; C658-L763 WeakPolarHBondContact CA-O 3.31Å; C658-L763 HydrophobicContact CB-CB 4.35Å; C658-L763 HydrophobicContact CB-CD2 4.16Å; C658-W771 WeakPolarHBondContact SG-CZ3 3.38Å
659	V	94.9	Very high	92.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.3	-179.5	-57.9	0	0	0	0	114.5	E640 R641 I642 Q762 L763 Y764 R765 W771	E640-V659 HydrophobicContact CG-CB 3.64Å; E640-V659 HydrophobicContact CG-CG1 4.19Å; E640-V659 HydrophobicContact CG-CG2 3.81Å; R641-V659 CarbonylContact O-C 3.3Å; R641-V659 WeakPolarHBondContact O-CA 3.41Å; I642-V659 HydrophobicContact CB-CG1 4.47Å; I642-V659 HydrophobicContact CG1-CG1 4.01Å; V659-Q762 HydrophobicContact CG1-CG 4.39Å; V659-Q762 HydrophobicContact CG2-CG 3.94Å; V659-L763 PolarHBondContact N-O 3.07Å; V659-Y764 CarbonylContact O-C 3.59Å; V659-Y764 VanDerWaalsContact O-CA 3.27Å; V659-Y764 WeakPolarHBondContact O-CA 3.34Å; V659-R765 PolarHBondContact O-N 3.24Å; V659-W771 WeakPolarHBondContact O-CZ3 3.24Å
660	N	93.3	Very high	92.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.4	174.7	-166.9	-13.1	0	0	0	112.1	R641 I643 V662 D663 E665 R765 W771	R641-N660 PolarHBondContact N-O 3.45Å; R641-N660 PolarHBondContact O-N 3.08Å; I643-N660 HydrophobicContact CD1-CB 3.43Å; I643-N660 VanDerWaalsContact CD1-CB 3.43Å; I643-N660 HydrophobicContact CG1-CB 4.3Å; N660-V662 PolarHBondContact OD1-N 3.06Å; N660-D663 PolarHBondContact ND2-O 3.17Å; N660-D663 PolarHBondContact ND2-OD1 3.4Å; N660-D663 PolarHBondContact OD1-N 3Å; N660-D663 VanDerWaalsContact OD1-N 3.07Å; N660-D663 PolarHBondContact OD1-O 3.4Å; N660-E665 PolarHBondContact ND2-O 3.46Å; N660-R765 HydrophobicContact CB-CB 4.11Å; N660-R765 VanDerWaalsContact OD1-CB 3.28Å; N660-R765 WeakPolarHBondContact OD1-CB 3.32Å; N660-R765 WeakPolarHBondContact OD1-CG 3.27Å; N660-W771 HydrophobicContact CB-CH2 4.2Å
661	A	86.1	Confident	92.5	Very high	26 Å²	26	50.2 Å²	50.2	22%	0.215	28%	0.284	C	S	.	.	S	Bend	trans	-120.9	5.1	175.3	0	0	0	0	0	112.8	R638 E640	R638-A661 WeakPolarHBondContact CB-O 3.48Å; E640-A661 HydrophobicContact CB-CB 4.19Å; E640-A661 HydrophobicContact CG-CB 4.33Å
662	V	86.3	Confident	92.7	Very high	51 Å²	51	46.9 Å²	46.9	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	-109.4	-53.5	-169.6	178.8	0	0	0	0	111.2	R638 N660 R765	R638-V662 PolarHBondContact NH1-O 3.01Å; N660-V662 PolarHBondContact OD1-N 3.06Å; V662-R765 HydrophobicContact CB-CB 4.3Å; V662-R765 HydrophobicContact CB-CG 3.81Å; V662-R765 HydrophobicContact CG1-CG 4.43Å; V662-R765 HydrophobicContact CG2-CB 4.32Å; V662-R765 HydrophobicContact CG2-CG 4.22Å; V662-R765 WeakPolarHBondContact CG2-O 3.38Å
663	D	85.3	Confident	92.8	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.219	27%	0.269	C	S	.	.	S	Bend	trans	-135.6	-168	-176.2	59.4	40.9	0	0	0	111.7	R638 R641 N660 E665 R765	R638-D663 PolarHBondContact NE-O 3.3Å; R641-D663 PolarHBondContact NH2-O 3.39Å; N660-D663 PolarHBondContact ND2-O 3.17Å; N660-D663 PolarHBondContact ND2-OD1 3.4Å; N660-D663 PolarHBondContact OD1-N 3Å; N660-D663 VanDerWaalsContact OD1-N 3.07Å; N660-D663 PolarHBondContact OD1-O 3.4Å; D663-E665 VanDerWaalsContact OD1-CB 3.23Å; D663-E665 WeakPolarHBondContact OD1-CB 3.42Å; D663-E665 PolarHBondContact OD1-N 2.93Å; D663-R765 IonicContact OD1-NE 2.69Å; D663-R765 IonicContact OD1-NH2 3.76Å; D663-R765 IonicContact OD2-CZ 2.82Å; D663-R765 IonicContact OD2-NE 3.7Å; D663-R765 PolarHBondContact OD2-NE 3.5Å; D663-R765 IonicContact OD2-NH2 2.76Å; D663-R765 PolarHBondContact OD2-NH2 3.34Å
664	D	85.4	Confident	93	Very high	110 Å²	110	42.4 Å²	42.4	59%	0.588	25%	0.25	S	S	*	.	S	Bend	trans	-102.6	17.4	178.2	-60.2	-46.6	0	0	0	113.3	R638 R641 G666	R638-D664 IonicContact CZ-OD1 3.34Å; R638-D664 IonicContact CZ-OD2 3.11Å; R638-D664 IonicContact NE-OD1 3.87Å; R638-D664 PolarHBondContact NE-OD1 3.15Å; R638-D664 IonicContact NH2-OD1 2.65Å; R638-D664 PolarHBondContact NH2-OD1 2.83Å; R638-D664 IonicContact NH2-OD2 2.77Å; R638-D664 PolarHBondContact NH2-OD2 3.47Å; R641-D664 IonicContact CZ-OD1 3.67Å; R641-D664 IonicContact NH1-OD1 3.6Å; R641-D664 PolarHBondContact NH1-OD1 3.34Å; R641-D664 VanDerWaalsContact NH1-OD1 3.12Å; R641-D664 IonicContact NH2-OD1 2.77Å; R641-D664 PolarHBondContact NH2-OD1 2.96Å; D664-G666 PolarHBondContact O-N 2.86Å
665	E	87.4	Confident	93.1	Very high	86 Å²	86	42.3 Å²	42.3	40%	0.402	25%	0.253	S	S	.	.			trans	-69.6	130.8	174.1	-159.9	176	111.6	0	0	110.8	I643 N660 D663 R765 W771	I643-E665 WeakPolarHBondContact CD1-O 3.42Å; N660-E665 PolarHBondContact ND2-O 3.46Å; D663-E665 VanDerWaalsContact OD1-CB 3.23Å; D663-E665 WeakPolarHBondContact OD1-CB 3.42Å; D663-E665 PolarHBondContact OD1-N 2.93Å; E665-R765 IonicContact OE1-CZ 3.29Å; E665-R765 IonicContact OE1-NH1 2.66Å; E665-R765 PolarHBondContact OE1-NH1 3.41Å; E665-R765 IonicContact OE1-NH2 3.54Å; E665-R765 IonicContact OE2-CZ 3.99Å; E665-R765 IonicContact OE2-NH1 2.85Å; E665-R765 PolarHBondContact OE2-NH1 2.87Å; E665-R765 IonicContact OE2-NH2 3.74Å; E665-R765 PolarHBondContact OE2-NH2 3.4Å; E665-W771 HydrophobicContact CB-CZ2 4.39Å; E665-W771 HydrophobicContact CG-CZ2 4.44Å; E665-W771 PolarHBondContact OE1-NE1 3.18Å
666	G	90.3	Very high	93.1	Very high	42 Å²	42	43.9 Å²	43.9	43%	0.433	25%	0.254	S	S	.	.			trans	-72.6	178.7	175.6	0	0	0	0	0	112.9	D664 W771	D664-G666 PolarHBondContact O-N 2.86Å; G666-W771 VanDerWaalsContact O-CZ2 3.25Å; G666-W771 WeakPolarHBondContact O-CZ2 3.3Å
667	C	91.6	Very high	93	Very high	33 Å²	33	45.7 Å²	45.7	22%	0.223	26%	0.263	C	S	.	.			trans	-59.5	131.5	176.2	-177.9	0	0	0	0	110	I643 C644 S669	I643-C667 HydrophobicContact CB-CB 4.32Å; I643-C667 HydrophobicContact CG2-CB 3.9Å; C644-C667 HydrophobicContact CB-CB 4.22Å; C667-S669 PolarHBondContact O-N 3.48Å; C667-S669 PolarHBondContact O-OG 2.8Å
668	P	94.2	Very high	93	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	27%	0.265	C	S	.	.			trans	-58.9	134.9	179	22.8	-32.5	0	0	0	110.3	Y671 L763 W771 F831	P668-Y671 HydrophobicContact CB-CE1 4.4Å; P668-Y671 WeakPolarHBondContact O-CE1 3.02Å; P668-L763 HydrophobicContact CG-CD2 3.91Å; P668-W771 HydrophobicContact CG-CD2 4.27Å; P668-W771 HydrophobicContact CG-CG 4.37Å; P668-F831 HydrophobicContact CB-CE1 3.95Å; P668-F831 HydrophobicContact CB-CZ 4.01Å; P668-F831 HydrophobicContact CG-CE1 3.62Å; P668-F831 HydrophobicContact CG-CZ 3.59Å
669	S	91.4	Very high	92.9	Very high	106 Å²	106	49.4 Å²	49.4	74%	0.741	28%	0.281	S	S	*	.			trans	-145.7	8.3	-168.8	42	0	0	0	0	113.2	C667 Y671	C667-S669 PolarHBondContact O-N 3.48Å; C667-S669 PolarHBondContact O-OG 2.8Å; S669-Y671 PolarHBondContact O-N 3.28Å
670	D	94.4	Very high	92.7	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-84.4	18.7	175.3	72.5	-53.5	0	0	0	113.2	R823	D670-R823 PolarHBondContact O-NH1 3.41Å; D670-R823 IonicContact OD2-CZ 3.93Å; D670-R823 VanDerWaalsContact OD2-CZ 3.22Å; D670-R823 IonicContact OD2-NH1 2.71Å; D670-R823 PolarHBondContact OD2-NH1 3.24Å; D670-R823 IonicContact OD2-NH2 2.65Å; D670-R823 PolarHBondContact OD2-NH2 2.8Å
671	Y	97.1	Very high	92.6	Very high	29 Å²	29	56.1 Å²	56.1	11%	0.114	33%	0.325	C	S	.	.	S	Bend	trans	-149.8	164.3	-180	82.1	-69.5	0	0	0	109.4	P668 S669 Y673 Y824 R830 F831	P668-Y671 HydrophobicContact CB-CE1 4.4Å; P668-Y671 WeakPolarHBondContact O-CE1 3.02Å; S669-Y671 PolarHBondContact O-N 3.28Å; Y671-Y673 HydrophobicContact CE2-CD2 4.26Å; Y671-Y824 CarbonylContact C-O 3.58Å; Y671-Y824 WeakPolarHBondContact CA-O 3.2Å; Y671-R830 VanDerWaalsContact CD2-CD 3.41Å; Y671-F831 HydrophobicContact CD1-CZ 4.17Å; Y671-F831 HydrophobicContact CE1-CE2 4.06Å; Y671-F831 AromaticContact CE1-CZ 3.59Å; Y671-F831 HydrophobicContact CE1-CZ 3.59Å; Y671-F831 HydrophobicContact CE2-CE2 4.23Å; Y671-F831 HydrophobicContact CE2-CZ 4.45Å; Y671-F831 AromaticContact CZ-CE2 3.71Å; Y671-F831 AromaticContact CZ-CZ 3.76Å
672	K	97.6	Very high	92.8	Very high	85 Å²	85	58.4 Å²	58.4	37%	0.37	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.6	171.8	176.4	55.1	-172.3	155.6	0	110.9	V674 Y824 Y825 G826	K672-V674 HydrophobicContact CG-CG1 4.3Å; K672-V674 PolarHBondContact O-N 3.15Å; K672-Y824 PolarHBondContact N-O 2.87Å; K672-Y825 HydrophobicContact CB-CD1 3.94Å; K672-Y825 HydrophobicContact CB-CE1 4.21Å; K672-Y825 HydrophobicContact CG-CD1 4.26Å; K672-Y825 HydrophobicContact CG-CE1 4.49Å; K672-Y825 WeakPolarHBondContact O-CA 3.36Å; K672-G826 PolarHBondContact O-N 3.34Å; K672-G826 VanDerWaalsContact O-N 3.15Å
673	Y	98.1	Very high	92.9	Very high	10 Å²	10	56.5 Å²	56.5	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.2	168.9	-159.3	-74.5	0	0	0	111	V647 A648 E652 Y671 G826 N827 I828	V647-Y673 HydrophobicContact CG2-CD2 4.22Å; V647-Y673 HydrophobicContact CG2-CE2 4.03Å; V647-Y673 WeakPolarHBondContact O-CD2 3.28Å; A648-Y673 HydrophobicContact CB-CD1 4.24Å; A648-Y673 HydrophobicContact CB-CE1 3.68Å; A648-Y673 HydrophobicContact CB-CE2 4.05Å; E652-Y673 HydrophobicContact CG-CE1 4.26Å; E652-Y673 WeakPolarHBondContact CG-OH 3.29Å; E652-Y673 PolarHBondContact OE1-OH 3.04Å; E652-Y673 VanDerWaalsContact OE1-OH 3.09Å; Y671-Y673 HydrophobicContact CE2-CD2 4.26Å; Y673-G826 VanDerWaalsContact CA-O 3.29Å; Y673-G826 WeakPolarHBondContact CA-O 3.23Å; Y673-N827 HydrophobicContact CE1-CB 4.01Å; Y673-N827 HydrophobicContact CE2-CB 4.28Å; Y673-I828 HydrophobicContact CE2-CB 4.41Å; Y673-I828 PolarHBondContact OH-N 2.67Å
674	V	97.6	Very high	93.2	Very high	30 Å²	30	60.7 Å²	60.7	18%	0.182	36%	0.355	C	S	.	.			trans	-136.3	140.1	169.5	-63.7	0	0	0	0	109	K672 V789 Y825 G826 N827	K672-V674 HydrophobicContact CG-CG1 4.3Å; K672-V674 PolarHBondContact O-N 3.15Å; V674-V789 HydrophobicContact CG2-CG1 4.12Å; V674-Y825 HydrophobicContact CG1-CD1 4.42Å; V674-G826 PolarHBondContact N-O 2.7Å; V674-G826 CarbonylContact O-C 3.08Å; V674-N827 WeakPolarHBondContact O-CA 3.44Å; V674-N827 VanDerWaalsContact O-CB 3.23Å; V674-N827 WeakPolarHBondContact O-CB 3.29Å; V674-N827 PolarHBondContact O-N 2.69Å
675	S	96.1	Very high	93.5	Very high	35 Å²	35	56.4 Å²	56.4	25%	0.245	33%	0.331	C	S	.	.	S	Bend	trans	-95	-8.1	-177.7	53.3	0	0	0	0	114.6
676	E	96.1	Very high	93.8	Very high	109 Å²	109	55.3 Å²	55.3	51%	0.509	33%	0.328	S	S	.	.	S	Bend	trans	-134.9	156.1	171.2	-61.8	-157.3	109.2	0	0	110.2	V789 R856	E676-V789 VanDerWaalsContact C-CG1 3.41Å; E676-R856 IonicContact OE1-CZ 3.63Å; E676-R856 IonicContact OE1-NH1 3.26Å; E676-R856 PolarHBondContact OE1-NH1 3.08Å; E676-R856 IonicContact OE1-NH2 3.54Å
677	N	97.2	Very high	94	Very high	39 Å²	39	61.6 Å²	61.6	21%	0.209	34%	0.339	C	S	.	.			trans	-59.7	141.2	-178.9	-75	-20.6	0	0	0	112.4	V789 G790 L792	N677-V789 WeakPolarHBondContact OD1-CA 3.24Å; N677-G790 WeakPolarHBondContact CA-O 3.47Å; N677-G790 PolarHBondContact OD1-N 3.41Å; N677-G790 PolarHBondContact OD1-O 2.92Å; N677-L792 HydrophobicContact CB-CD1 4.15Å; N677-L792 HydrophobicContact CB-CG 4.15Å
678	C	95.8	Very high	94.2	Very high	31 Å²	31	63 Å²	63	21%	0.209	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	155.5	179.2	60.6	0	0	0	0	112.7	G790 L792 Y825	C678-G790 PolarHBondContact N-O 3.39Å; C678-L792 PolarHBondContact O-N 2.99Å; C678-Y825 VanDerWaalsContact SG-CB 3.54Å
679	E	94.4	Very high	94.2	Very high	73 Å²	73	67.1 Å²	67.1	34%	0.341	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.1	178.4	-67.3	177.1	-127	0	0	108.9	M683 I685 R687 L792	E679-M683 HydrophobicContact CG-CB 4.32Å; E679-M683 HydrophobicContact CG-CG 4Å; E679-M683 WeakPolarHBondContact OE2-CB 3.22Å; E679-M683 PolarHBondContact OE2-N 3.25Å; E679-I685 WeakPolarHBondContact OE1-CD1 3.35Å; E679-R687 IonicContact OE1-CZ 3.89Å; E679-R687 IonicContact OE1-NH2 3.18Å; E679-R687 PolarHBondContact OE1-NH2 3.28Å; E679-L792 HydrophobicContact CG-CD1 4.39Å
680	T	91.4	Very high	94.4	Very high	80 Å²	80	67.3 Å²	67.3	49%	0.491	36%	0.361	S	S	.	.	S	Bend	trans	-92.9	-32.2	172.7	48.7	0	0	0	0	112.1	E791 Y825	T680-E791 WeakPolarHBondContact CB-OE1 3.3Å; T680-E791 VanDerWaalsContact CG2-CD 3.48Å; T680-E791 HydrophobicContact CG2-CG 3.79Å; T680-E791 WeakPolarHBondContact CG2-OE1 3.41Å; T680-E791 PolarHBondContact OG1-OE1 2.84Å; T680-Y825 HydrophobicContact CG2-CE2 4.33Å
681	S	90.8	Very high	94.4	Very high	61 Å²	61	68.6 Å²	68.6	43%	0.427	36%	0.364	S	S	.	.	S	Bend	trans	-121.3	157.6	168.4	63.7	0	0	0	0	109.9	M683	S681-M683 PolarHBondContact O-N 2.85Å; S681-M683 VanDerWaalsContact O-N 3.1Å; S681-M683 WeakPolarHBondContact OG-CE 3.26Å
682	A	89.5	Confident	94.4	Very high	75 Å²	75	67.9 Å²	67.9	62%	0.62	36%	0.362	S	S	*	.			trans	-74.3	103.9	-169.6	0	0	0	0	0	112.1	N684	A682-N684 VanDerWaalsContact C-N 3.26Å; A682-N684 PolarHBondContact O-N 2.94Å; A682-N684 PolarHBondContact O-ND2 2.79Å
683	M	88.8	Confident	94.3	Very high	11 Å²	11	68.6 Å²	68.6	5%	0.054	37%	0.367	C	S	.	.			trans	-74.8	-13.9	-177.9	-69.4	-63.5	120.4	0	0	113.8	E679 S681 I685 L792 Y818 F854	E679-M683 HydrophobicContact CG-CB 4.32Å; E679-M683 HydrophobicContact CG-CG 4Å; E679-M683 WeakPolarHBondContact OE2-CB 3.22Å; E679-M683 PolarHBondContact OE2-N 3.25Å; S681-M683 PolarHBondContact O-N 2.85Å; S681-M683 VanDerWaalsContact O-N 3.1Å; S681-M683 WeakPolarHBondContact OG-CE 3.26Å; M683-I685 VanDerWaalsContact C-N 3.29Å; M683-I685 HydrophobicContact CB-CD1 4.47Å; M683-I685 HydrophobicContact CB-CG1 3.91Å; M683-I685 PolarHBondContact O-N 3Å; M683-L792 WeakPolarHBondContact CE-O 3.49Å; M683-L792 HydrophobicContact CG-CB 3.96Å; M683-L792 HydrophobicContact SD-CB 4.43Å; M683-Y818 HydrophobicContact SD-CD1 3.82Å; M683-Y818 HydrophobicContact SD-CE1 3.81Å; M683-F854 HydrophobicContact CB-CE1 4.05Å; M683-F854 HydrophobicContact CB-CE2 4.37Å; M683-F854 HydrophobicContact CB-CZ 3.71Å; M683-F854 HydrophobicContact CG-CE1 4.19Å; M683-F854 HydrophobicContact CG-CZ 4.29Å; M683-F854 HydrophobicContact SD-CE1 4.03Å; M683-F854 HydrophobicContact SD-CZ 4.18Å
684	N	91.3	Very high	94.3	Very high	129 Å²	129	72.5 Å²	72.5	69%	0.69	39%	0.385	S	S	*	.			trans	52	45.9	-178.8	-58.4	-70.3	0	0	0	112.5	A682 R853	A682-N684 VanDerWaalsContact C-N 3.26Å; A682-N684 PolarHBondContact O-N 2.94Å; A682-N684 PolarHBondContact O-ND2 2.79Å; N684-R853 PolarHBondContact O-NH2 3.35Å
685	I	92.9	Very high	94.3	Very high	19 Å²	19	71.1 Å²	71.1	10%	0.097	38%	0.377	C	S	.	.			trans	-61.6	131.7	175.7	-49.6	-176.6	0	0	0	109.5	E679 M683 R687 L792 H849 D851 F854	E679-I685 WeakPolarHBondContact OE1-CD1 3.35Å; M683-I685 VanDerWaalsContact C-N 3.29Å; M683-I685 HydrophobicContact CB-CD1 4.47Å; M683-I685 HydrophobicContact CB-CG1 3.91Å; M683-I685 PolarHBondContact O-N 3Å; I685-R687 HydrophobicContact CB-CG 4.39Å; I685-R687 HydrophobicContact CG2-CG 4.31Å; I685-R687 PolarHBondContact O-N 3.25Å; I685-L792 HydrophobicContact CD1-CD1 3.94Å; I685-H849 HydrophobicContact CG2-CB 4.26Å; I685-D851 HydrophobicContact CG2-CB 4.09Å; I685-F854 HydrophobicContact CB-CD2 4.23Å; I685-F854 HydrophobicContact CB-CE2 4.45Å; I685-F854 HydrophobicContact CD1-CD2 4.38Å; I685-F854 HydrophobicContact CD1-CG 4.34Å; I685-F854 HydrophobicContact CG1-CD2 3.75Å; I685-F854 HydrophobicContact CG1-CE2 3.84Å; I685-F854 HydrophobicContact CG1-CG 4.2Å; I685-F854 HydrophobicContact CG1-CZ 4.39Å; I685-F854 HydrophobicContact CG2-CD2 4.09Å
686	D	93.8	Very high	94.3	Very high	63 Å²	63	74.3 Å²	74.3	34%	0.337	40%	0.399	S	S	.	.			trans	-70.3	98.5	174.3	-174.5	9.4	0	0	0	111.6	N688 H691 H849 D851	D686-N688 VanDerWaalsContact OD1-CB 3.23Å; D686-N688 WeakPolarHBondContact OD1-CB 3.41Å; D686-N688 PolarHBondContact OD1-N 2.84Å; D686-H691 IonicContact OD1-ND1 3.44Å; D686-H691 PolarHBondContact OD1-ND1 2.51Å; D686-H691 IonicContact OD2-CE1 3.72Å; D686-H691 IonicContact OD2-CG 3.59Å; D686-H691 IonicContact OD2-ND1 2.71Å; D686-H691 PolarHBondContact OD2-ND1 3.14Å; D686-H849 VanDerWaalsContact O-CB 3.31Å; D686-H849 WeakPolarHBondContact O-CB 3.39Å; D686-D851 HydrophobicContact CB-CB 4.17Å; D686-D851 PolarHBondContact N-OD2 2.79Å
687	R	94.8	Very high	94.3	Very high	174 Å²	174	69.6 Å²	69.6	66%	0.657	38%	0.378	S	S	*	.			trans	-100.3	17	176	-58.3	179	-172.5	-157.4	4.1	112.3	E679 I685 I689	E679-R687 IonicContact OE1-CZ 3.89Å; E679-R687 IonicContact OE1-NH2 3.18Å; E679-R687 PolarHBondContact OE1-NH2 3.28Å; I685-R687 HydrophobicContact CB-CG 4.39Å; I685-R687 HydrophobicContact CG2-CG 4.31Å; I685-R687 PolarHBondContact O-N 3.25Å; R687-I689 PolarHBondContact O-N 2.96Å
688	N	95	Very high	94.1	Very high	63 Å²	63	74.1 Å²	74.1	34%	0.337	41%	0.408	S	S	.	.			trans	-72.8	114.3	178.9	-177.2	12.1	0	0	0	111.8	D686 T690 H691	D686-N688 VanDerWaalsContact OD1-CB 3.23Å; D686-N688 WeakPolarHBondContact OD1-CB 3.41Å; D686-N688 PolarHBondContact OD1-N 2.84Å; N688-T690 PolarHBondContact ND2-OG1 3.14Å; N688-T690 PolarHBondContact O-N 2.91Å; N688-T690 VanDerWaalsContact O-N 3.08Å; N688-T690 PolarHBondContact OD1-N 3.02Å; N688-T690 VanDerWaalsContact OD1-N 3.14Å; N688-T690 PolarHBondContact OD1-OG1 3.42Å; N688-H691 PolarHBondContact ND2-CD2 2.88Å; N688-H691 VanDerWaalsContact ND2-CD2 3.33Å; N688-H691 PolarHBondContact ND2-CE1 2.82Å; N688-H691 VanDerWaalsContact ND2-CE1 3.33Å; N688-H691 PolarHBondContact ND2-NE2 3.31Å; N688-H691 PolarHBondContact O-N 2.72Å
689	I	94.8	Very high	94	Very high	103 Å²	103	74.9 Å²	74.9	53%	0.528	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27	179.2	-164	170.7	0	0	0	113.7	R687 H691 L692 A741	R687-I689 PolarHBondContact O-N 2.96Å; I689-H691 VanDerWaalsContact C-N 3.3Å; I689-H691 PolarHBondContact O-N 3.03Å; I689-L692 HydrophobicContact CG1-CD1 4.29Å; I689-L692 PolarHBondContact O-N 3.39Å; I689-A741 HydrophobicContact CG1-CB 4.35Å
690	T	95.4	Very high	94	Very high	110 Å²	110	74.3 Å²	74.3	68%	0.675	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-79.2	-10.8	178.7	70.7	0	0	0	0	113.9	N688	N688-T690 PolarHBondContact ND2-OG1 3.14Å; N688-T690 PolarHBondContact O-N 2.91Å; N688-T690 VanDerWaalsContact O-N 3.08Å; N688-T690 PolarHBondContact OD1-N 3.02Å; N688-T690 VanDerWaalsContact OD1-N 3.14Å; N688-T690 PolarHBondContact OD1-OG1 3.42Å
691	H	94.4	Very high	94.2	Very high	111 Å²	111	70.5 Å²	70.5	51%	0.514	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-90.8	-14.7	173.9	-59.8	168.8	0	0	0	112.3	D686 N688 I689 Q693	D686-H691 IonicContact OD1-ND1 3.44Å; D686-H691 PolarHBondContact OD1-ND1 2.51Å; D686-H691 IonicContact OD2-CE1 3.72Å; D686-H691 IonicContact OD2-CG 3.59Å; D686-H691 IonicContact OD2-ND1 2.71Å; D686-H691 PolarHBondContact OD2-ND1 3.14Å; N688-H691 PolarHBondContact ND2-CD2 2.88Å; N688-H691 VanDerWaalsContact ND2-CD2 3.33Å; N688-H691 PolarHBondContact ND2-CE1 2.82Å; N688-H691 VanDerWaalsContact ND2-CE1 3.33Å; N688-H691 PolarHBondContact ND2-NE2 3.31Å; N688-H691 PolarHBondContact O-N 2.72Å; I689-H691 VanDerWaalsContact C-N 3.3Å; I689-H691 PolarHBondContact O-N 3.03Å; H691-Q693 PolarHBondContact O-N 3.39Å
692	L	96.1	Very high	94.3	Very high	15 Å²	15	71 Å²	71	8%	0.079	39%	0.389	C	S	.	.			trans	-65.2	114.7	176.9	-69.5	178.4	0	0	0	111.7	I689 H694 N739 A741 Q850	I689-L692 HydrophobicContact CG1-CD1 4.29Å; I689-L692 PolarHBondContact O-N 3.39Å; L692-H694 PolarHBondContact O-ND1 3.43Å; L692-N739 HydrophobicContact CD1-CB 4.29Å; L692-A741 HydrophobicContact CB-CB 4.21Å; L692-A741 HydrophobicContact CD1-CB 4.39Å; L692-Q850 HydrophobicContact CD2-CB 4.29Å; L692-Q850 HydrophobicContact CD2-CG 3.88Å
693	Q	96.9	Very high	94.4	Very high	100 Å²	100	69.5 Å²	69.5	47%	0.467	37%	0.374	S	S	.	.			trans	-68.3	129.4	164	-60.8	-179.2	-17.1	0	0	108.8	H691 L711 N739 Q850	H691-Q693 PolarHBondContact O-N 3.39Å; Q693-L711 HydrophobicContact CB-CD1 3.82Å; Q693-N739 PolarHBondContact O-ND2 2.86Å; Q693-Q850 PolarHBondContact O-NE2 3.16Å
694	H	97.4	Very high	94.6	Very high	91 Å²	91	73.9 Å²	73.9	42%	0.421	41%	0.405	S	S	.	.			trans	-146.7	150.8	-166.1	59.1	-90.5	0	0	0	112.1	L692 L707 A741 C742	L692-H694 PolarHBondContact O-ND1 3.43Å; H694-L707 WeakPolarHBondContact O-CD2 3.48Å; H694-A741 HydrophobicContact CB-CB 3.82Å; H694-A741 PolarHBondContact CD2-O 3.03Å; H694-A741 VanDerWaalsContact CD2-O 3.31Å; H694-C742 HydrophobicContact CB-CB 4.48Å
695	C	96.9	Very high	94.7	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.014	40%	0.404	C	S	.	.			trans	-92.1	144.6	179.2	66.8	0	0	0	0	112.7	C697 L707 C742 S743	C695-C697 HydrophobicContact CB-CB 4.33Å; C695-C697 PolarHBondContact O-N 3.12Å; C695-L707 HydrophobicContact CB-CB 4.27Å; C695-C742 PolarHBondContact N-SG 3.31Å; C695-C742 VanDerWaalsContact N-SG 3.44Å; C695-C742 WeakPolarHBondContact O-CA 3.47Å; C695-S743 PolarHBondContact O-N 2.66Å
696	S	96.6	Very high	94.9	Very high	102 Å²	102	72.9 Å²	72.9	71%	0.713	40%	0.401	S	S	*	.			trans	-90.3	30.2	169.7	61.8	0	0	0	0	112.4
697	C	96.2	Very high	95	Very high	10 Å²	10	73.2 Å²	73.2	7%	0.068	40%	0.402	C	S	.	.			trans	-68.6	130.5	-176.8	-85.9	0	0	0	0	112	C695 D699 C701 S743 C744	C695-C697 HydrophobicContact CB-CB 4.33Å; C695-C697 PolarHBondContact O-N 3.12Å; C697-D699 VanDerWaalsContact CB-OD1 3.27Å; C697-D699 WeakPolarHBondContact CB-OD1 3.47Å; C697-D699 PolarHBondContact SG-OD1 2.92Å; C697-D699 VanDerWaalsContact SG-OD1 3.33Å; C697-C701 VanDerWaalsContact CB-SG 3.51Å; C697-S743 CarbonylContact O-C 3.58Å; C697-C744 HydrophobicContact CB-CB 4.09Å; C697-C744 WeakPolarHBondContact O-CA 3.43Å; C697-C744 PolarHBondContact O-N 3.1Å
698	T	93.6	Very high	95.1	Very high	134 Å²	134	65 Å²	65	82%	0.822	37%	0.371	S	S	*	.	S	Bend	trans	-101.8	-3.5	169.9	53.5	0	0	0	0	112.9
699	D	93.4	Very high	95.1	Very high	47 Å²	47	62.1 Å²	62.1	25%	0.251	36%	0.356	S	S	.	.	S	Bend	trans	-94.5	-171	175.4	67.2	-8.8	0	0	0	111.7	C697 C701 S703	C697-D699 VanDerWaalsContact CB-OD1 3.27Å; C697-D699 WeakPolarHBondContact CB-OD1 3.47Å; C697-D699 PolarHBondContact SG-OD1 2.92Å; C697-D699 VanDerWaalsContact SG-OD1 3.33Å; D699-C701 PolarHBondContact O-N 3.49Å; D699-C701 VanDerWaalsContact O-N 3.17Å; D699-C701 WeakPolarHBondContact OD1-CA 3.37Å; D699-C701 PolarHBondContact OD1-N 3.08Å; D699-S703 WeakPolarHBondContact OD2-CB 3.31Å; D699-S703 PolarHBondContact OD2-N 3.49Å; D699-S703 PolarHBondContact OD2-OG 2.92Å
700	D	94.4	Very high	95.1	Very high	60 Å²	60	61.9 Å²	61.9	32%	0.321	35%	0.353	S	S	.	.	S	Bend	trans	-76	14.5	172.6	71.9	-23.8	0	0	0	113.6	S702 C748 K749	D700-S702 PolarHBondContact O-N 3.32Å; D700-S702 WeakPolarHBondContact OD1-CB 3.37Å; D700-S702 PolarHBondContact OD1-N 2.99Å; D700-S702 PolarHBondContact OD1-OG 3.42Å; D700-C748 WeakPolarHBondContact O-CB 3.39Å; D700-K749 PolarHBondContact O-N 3.35Å; D700-K749 WeakPolarHBondContact OD2-CD 3.44Å; D700-K749 WeakPolarHBondContact OD2-CE 3.09Å; D700-K749 IonicContact OD2-NZ 3.85Å; D700-K749 PolarHBondContact OD2-NZ 2.99Å
701	C	95.8	Very high	95.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	61	22.7	-171.8	-61.4	0	0	0	0	115	C697 D699 C706 C744 C748 N750	C697-C701 VanDerWaalsContact CB-SG 3.51Å; D699-C701 PolarHBondContact O-N 3.49Å; D699-C701 VanDerWaalsContact O-N 3.17Å; D699-C701 WeakPolarHBondContact OD1-CA 3.37Å; D699-C701 PolarHBondContact OD1-N 3.08Å; C701-C706 HydrophobicContact CB-CB 4.4Å; C701-C744 WeakPolarHBondContact SG-CB 3.28Å; C701-C744 PolarHBondContact SG-SG 3.12Å; C701-C748 HydrophobicContact CB-CB 4.07Å; C701-N750 HydrophobicContact CB-CB 4.44Å
702	S	92.8	Very high	95.1	Very high	72 Å²	72	54 Å²	54	50%	0.503	31%	0.31	S	S	.	.			trans	-80.9	-16.4	172.8	63.4	0	0	0	0	114.5	D700	D700-S702 PolarHBondContact O-N 3.32Å; D700-S702 WeakPolarHBondContact OD1-CB 3.37Å; D700-S702 PolarHBondContact OD1-N 2.99Å; D700-S702 PolarHBondContact OD1-OG 3.42Å
703	S	91.6	Very high	95	Very high	43 Å²	43	59.8 Å²	59.8	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-73.7	149.3	178.5	63.1	0	0	0	0	113.2	D699 N705 C706	D699-S703 WeakPolarHBondContact OD2-CB 3.31Å; D699-S703 PolarHBondContact OD2-N 3.49Å; D699-S703 PolarHBondContact OD2-OG 2.92Å; S703-N705 PolarHBondContact O-N 3.03Å; S703-C706 PolarHBondContact O-N 2.91Å; S703-C706 VanDerWaalsContact O-N 3.16Å
704	S	91.8	Very high	94.9	Very high	103 Å²	103	60 Å²	60	72%	0.72	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-7	173.8	54.8	0	0	0	0	114.4	Q710	S704-Q710 PolarHBondContact O-NE2 3.05Å
705	N	93.8	Very high	94.8	Very high	125 Å²	125	57 Å²	57	67%	0.668	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.2	-179.6	-60.6	-12.5	0	0	0	112.5	S703 L707	S703-N705 PolarHBondContact O-N 3.03Å; N705-L707 PolarHBondContact O-N 3.4Å
706	C	96.6	Very high	94.8	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.02	33%	0.33	C	S	.	.			trans	-69.1	108.7	176.2	-177.7	0	0	0	0	111.1	C701 S703 C708 G709 Q710	C701-C706 HydrophobicContact CB-CB 4.4Å; S703-C706 PolarHBondContact O-N 2.91Å; S703-C706 VanDerWaalsContact O-N 3.16Å; C706-C708 VanDerWaalsContact C-N 3.3Å; C706-C708 PolarHBondContact O-N 3.24Å; C706-G709 WeakPolarHBondContact O-CA 3.45Å; C706-G709 PolarHBondContact O-N 3.39Å; C706-Q710 PolarHBondContact O-N 3.35Å
707	L	96.8	Very high	94.8	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.366	30%	0.298	S	S	.	.	H	α-helix	trans	-53.2	-44.1	-179.3	-177.3	62.5	0	0	0	112.5	H694 C695 N705 G709 Q710 L711	H694-L707 WeakPolarHBondContact O-CD2 3.48Å; C695-L707 HydrophobicContact CB-CB 4.27Å; N705-L707 PolarHBondContact O-N 3.4Å; L707-G709 PolarHBondContact O-N 3.38Å; L707-Q710 CarbonylContact O-C 3.54Å; L707-Q710 WeakPolarHBondContact O-CA 3.11Å; L707-Q710 WeakPolarHBondContact O-CB 3.38Å; L707-Q710 PolarHBondContact O-N 3.38Å; L707-L711 WeakPolarHBondContact O-CG 3.22Å; L707-L711 PolarHBondContact O-N 2.89Å
708	C	96.8	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-37.9	178.5	-46.4	0	0	0	0	112.3	C706 S712 F736 N750	C706-C708 VanDerWaalsContact C-N 3.3Å; C706-C708 PolarHBondContact O-N 3.24Å; C708-S712 PolarHBondContact O-OG 3.06Å; C708-S712 VanDerWaalsContact O-OG 3.04Å; C708-F736 WeakPolarHBondContact CB-O 3.14Å; C708-N750 WeakPolarHBondContact CB-ND2 3.36Å
709	G	94.8	Very high	94.6	Very high	3 Å²	3	56.3 Å²	56.3	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-43.2	170.9	0	0	0	0	0	112.1	C706 L707 L711 S712 I713 R714	C706-G709 WeakPolarHBondContact O-CA 3.45Å; C706-G709 PolarHBondContact O-N 3.39Å; L707-G709 PolarHBondContact O-N 3.38Å; G709-L711 PolarHBondContact O-N 3.42Å; G709-S712 CarbonylContact O-C 3.5Å; G709-S712 WeakPolarHBondContact O-CA 3.18Å; G709-S712 WeakPolarHBondContact O-CB 3.36Å; G709-S712 PolarHBondContact O-N 2.95Å; G709-I713 CarbonylContact O-C 3.57Å; G709-I713 VanDerWaalsContact O-C 3.27Å; G709-I713 PolarHBondContact O-N 3.4Å; G709-R714 CarbonylContact O-C 3.56Å; G709-R714 WeakPolarHBondContact O-CA 3.41Å; G709-R714 PolarHBondContact O-N 3.04Å
710	Q	95.4	Very high	94.6	Very high	99 Å²	99	57.7 Å²	57.7	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-34.4	179	-64.2	173.2	-3.3	0	0	113.4	S704 C706 L707 S712 I713	S704-Q710 PolarHBondContact O-NE2 3.05Å; C706-Q710 PolarHBondContact O-N 3.35Å; L707-Q710 CarbonylContact O-C 3.54Å; L707-Q710 WeakPolarHBondContact O-CA 3.11Å; L707-Q710 WeakPolarHBondContact O-CB 3.38Å; L707-Q710 PolarHBondContact O-N 3.38Å; Q710-S712 PolarHBondContact O-N 3.15Å; Q710-I713 WeakPolarHBondContact O-CA 3.41Å; Q710-I713 PolarHBondContact O-N 3.39Å
711	L	95.8	Very high	94.6	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-30.8	170.7	-60.9	177.8	0	0	0	112	Q693 L707 G709 I713 F736	Q693-L711 HydrophobicContact CB-CD1 3.82Å; L707-L711 WeakPolarHBondContact O-CG 3.22Å; L707-L711 PolarHBondContact O-N 2.89Å; G709-L711 PolarHBondContact O-N 3.42Å; L711-I713 VanDerWaalsContact C-N 3.29Å; L711-F736 HydrophobicContact CB-CB 4.05Å; L711-F736 HydrophobicContact CB-CD2 3.55Å; L711-F736 HydrophobicContact CB-CE2 4.15Å; L711-F736 HydrophobicContact CB-CG 3.82Å; L711-F736 HydrophobicContact CD1-CB 4.09Å; L711-F736 HydrophobicContact CD1-CD1 4.17Å; L711-F736 HydrophobicContact CD1-CG 4.01Å
712	S	93.6	Very high	94.7	Very high	2 Å²	2	62 Å²	62	1%	0.014	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	16.4	176.1	-40.7	0	0	0	0	112.1	C708 G709 Q710 R714 W716 F736	C708-S712 PolarHBondContact O-OG 3.06Å; C708-S712 VanDerWaalsContact O-OG 3.04Å; G709-S712 CarbonylContact O-C 3.5Å; G709-S712 WeakPolarHBondContact O-CA 3.18Å; G709-S712 WeakPolarHBondContact O-CB 3.36Å; G709-S712 PolarHBondContact O-N 2.95Å; Q710-S712 PolarHBondContact O-N 3.15Å; S712-R714 WeakPolarHBondContact CB-O 3.45Å; S712-R714 PolarHBondContact O-N 3.18Å; S712-W716 PolarHBondContact O-NE1 3.12Å; S712-F736 PolarHBondContact OG-N 3.05Å
713	I	93.9	Very high	94.9	Very high	136 Å²	136	59.1 Å²	59.1	70%	0.697	30%	0.299	S	S	*	.	S	Bend	trans	67.2	-50.6	-161.9	-51.2	170.8	0	0	0	112.7	G709 Q710 L711	G709-I713 CarbonylContact O-C 3.57Å; G709-I713 VanDerWaalsContact O-C 3.27Å; G709-I713 PolarHBondContact O-N 3.4Å; Q710-I713 WeakPolarHBondContact O-CA 3.41Å; Q710-I713 PolarHBondContact O-N 3.39Å; L711-I713 VanDerWaalsContact C-N 3.29Å
714	R	94.4	Very high	95.1	Very high	106 Å²	106	58.6 Å²	58.6	40%	0.4	29%	0.293	S	S	.	.	S	Bend	trans	-149.4	164.7	171.4	61.9	-173.2	-70.1	-163.7	-4.7	110.2	G709 S712 W716 L724 E726	G709-R714 CarbonylContact O-C 3.56Å; G709-R714 WeakPolarHBondContact O-CA 3.41Å; G709-R714 PolarHBondContact O-N 3.04Å; S712-R714 WeakPolarHBondContact CB-O 3.45Å; S712-R714 PolarHBondContact O-N 3.18Å; R714-W716 HydrophobicContact CG-CD2 3.94Å; R714-W716 HydrophobicContact CG-CE3 4.23Å; R714-W716 HydrophobicContact CG-CH2 4.19Å; R714-W716 HydrophobicContact CG-CZ2 3.87Å; R714-W716 HydrophobicContact CG-CZ3 4.36Å; R714-W716 PolarHBondContact O-N 2.8Å; R714-W716 PolarHBondContact O-NE1 3.47Å; R714-L724 VanDerWaalsContact CZ-CD1 3.49Å; R714-E726 IonicContact CZ-OE1 3.73Å; R714-E726 IonicContact NH1-OE1 3.35Å; R714-E726 PolarHBondContact NH1-OE1 3.2Å; R714-E726 IonicContact NH2-OE1 2.82Å; R714-E726 PolarHBondContact NH2-OE1 2.9Å
715	C	95.8	Very high	95.1	Very high	27 Å²	27	60.1 Å²	60.1	18%	0.182	29%	0.288	C	S	.	.			trans	-62.3	122.5	161.5	-171.2	0	0	0	0	108.6
716	W	97.1	Very high	95.1	Very high	27 Å²	27	59.4 Å²	59.4	10%	0.102	28%	0.281	C	S	.	.			trans	-92.2	-4.7	-179.4	-69.6	104.6	0	0	0	113.7	S712 R714 L723 L724 E726 F727 P733	S712-W716 PolarHBondContact O-NE1 3.12Å; R714-W716 HydrophobicContact CG-CD2 3.94Å; R714-W716 HydrophobicContact CG-CE3 4.23Å; R714-W716 HydrophobicContact CG-CH2 4.19Å; R714-W716 HydrophobicContact CG-CZ2 3.87Å; R714-W716 HydrophobicContact CG-CZ3 4.36Å; R714-W716 PolarHBondContact O-N 2.8Å; R714-W716 PolarHBondContact O-NE1 3.47Å; W716-L723 HydrophobicContact CB-CD2 4.11Å; W716-L723 WeakPolarHBondContact O-CA 3.26Å; W716-L724 HydrophobicContact CE3-CB 4.44Å; W716-L724 HydrophobicContact CE3-CD1 4.22Å; W716-L724 WeakPolarHBondContact O-CG 3.41Å; W716-L724 PolarHBondContact O-N 3.07Å; W716-E726 HydrophobicContact CZ3-CG 4.01Å; W716-F727 HydrophobicContact CB-CD2 3.89Å; W716-F727 HydrophobicContact CB-CE2 4.14Å; W716-F727 AromaticContact CD2-CD2 3.63Å; W716-F727 HydrophobicContact CD2-CD2 3.63Å; W716-F727 HydrophobicContact CD2-CE2 4.19Å; W716-F727 HydrophobicContact CE3-CB 4.16Å; W716-F727 AromaticContact CE3-CD2 3.72Å; W716-F727 HydrophobicContact CE3-CD2 3.72Å; W716-F727 HydrophobicContact CE3-CG 4.42Å; W716-F727 AromaticContact CG-CD2 3.7Å; W716-F727 HydrophobicContact CG-CD2 3.7Å; W716-F727 AromaticContact CG-CE2 3.91Å; W716-F727 HydrophobicContact CG-CE2 3.91Å; W716-F727 HydrophobicContact CZ3-CB 4.45Å; W716-F727 HydrophobicContact CZ3-CD2 4.46Å; W716-P733 HydrophobicContact CZ2-CG 4.3Å
717	Y	97.4	Very high	95.1	Very high	12 Å²	12	59.7 Å²	59.7	5%	0.047	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-90.4	134.8	178.3	-54.8	-57.7	0	0	0	111.8	R722 L723 I735 E737 V752 F860	Y717-R722 CarbonylContact C-O 3.57Å; Y717-R722 WeakPolarHBondContact CA-O 3.2Å; Y717-L723 HydrophobicContact CD1-CD2 4.04Å; Y717-L723 HydrophobicContact CE1-CD2 3.8Å; Y717-I735 HydrophobicContact CE2-CG2 4.08Å; Y717-E737 HydrophobicContact CE2-CG 4.45Å; Y717-E737 PolarHBondContact OH-OE1 3.43Å; Y717-E737 VanDerWaalsContact OH-OE1 3.1Å; Y717-V752 HydrophobicContact CD1-CB 4.16Å; Y717-V752 HydrophobicContact CD1-CG2 3.63Å; Y717-V752 HydrophobicContact CD2-CB 4.42Å; Y717-V752 HydrophobicContact CD2-CG2 3.68Å; Y717-V752 HydrophobicContact CE1-CB 3.86Å; Y717-V752 HydrophobicContact CE1-CG1 4.25Å; Y717-V752 HydrophobicContact CE1-CG2 3.86Å; Y717-V752 HydrophobicContact CE2-CB 4.1Å; Y717-V752 HydrophobicContact CE2-CG2 3.86Å; Y717-V752 HydrophobicContact CG-CB 4.41Å; Y717-V752 HydrophobicContact CG-CG2 3.53Å; Y717-F860 AromaticContact CE1-CE1 3.86Å; Y717-F860 HydrophobicContact CE1-CE1 3.86Å; Y717-F860 AromaticContact CE1-CZ 3.83Å; Y717-F860 HydrophobicContact CE1-CZ 3.83Å
718	D	94.4	Very high	95	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	28%	0.283	C	S	.	.			trans	-82.5	-165.3	175.1	81.5	-12.7	0	0	0	112.6	D720 Q721 R722 L724	D718-D720 VanDerWaalsContact C-N 3.31Å; D718-D720 VanDerWaalsContact OD1-C 3.29Å; D718-D720 WeakPolarHBondContact OD1-CA 3.31Å; D718-D720 PolarHBondContact OD1-N 3.44Å; D718-Q721 PolarHBondContact OD1-N 3.02Å; D718-R722 PolarHBondContact N-O 2.88Å; D718-R722 PolarHBondContact OD1-N 2.94Å; D718-L724 HydrophobicContact CB-CD2 4.11Å
719	K	91.5	Very high	94.8	Very high	150 Å²	150	63 Å²	63	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.9	176.3	53.9	161.5	-173.4	98.7	0	114.1
720	D	92.8	Very high	94.6	Very high	76 Å²	76	70.7 Å²	70.7	41%	0.406	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13	-173.7	-56.6	-25.4	0	0	0	111.2	D718	D718-D720 VanDerWaalsContact C-N 3.31Å; D718-D720 VanDerWaalsContact OD1-C 3.29Å; D718-D720 WeakPolarHBondContact OD1-CA 3.31Å; D718-D720 PolarHBondContact OD1-N 3.44Å
721	Q	94.3	Very high	94.3	Very high	72 Å²	72	72 Å²	72	34%	0.336	34%	0.342	S	S	.	.	S	Bend	trans	65.4	33.2	179.7	-59.3	-179.2	1.1	0	0	114.4	D718 V752	D718-Q721 PolarHBondContact OD1-N 3.02Å; Q721-V752 HydrophobicContact CB-CG1 4.26Å; Q721-V752 HydrophobicContact CB-CG2 3.86Å; Q721-V752 HydrophobicContact CG-CG2 4.19Å
722	R	96.7	Very high	94.3	Very high	78 Å²	78	70.8 Å²	70.8	29%	0.294	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-112	154.6	176.5	-57.2	-174.2	-173.5	128.1	8.6	112.2	Y717 D718 Q781 G782 S783	Y717-R722 CarbonylContact C-O 3.57Å; Y717-R722 WeakPolarHBondContact CA-O 3.2Å; D718-R722 PolarHBondContact N-O 2.88Å; D718-R722 PolarHBondContact OD1-N 2.94Å; R722-Q781 WeakPolarHBondContact CD-O 3.49Å; R722-G782 CarbonylContact C-O 3.57Å; R722-G782 WeakPolarHBondContact CA-O 3.01Å; R722-S783 PolarHBondContact NE-OG 3.25Å
723	L	97.4	Very high	94.3	Very high	11 Å²	11	72 Å²	72	6%	0.058	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-62.8	133.8	169.3	-63.4	179.1	0	0	0	111	W716 Y717 F727 I735 G782 F860	W716-L723 HydrophobicContact CB-CD2 4.11Å; W716-L723 WeakPolarHBondContact O-CA 3.26Å; Y717-L723 HydrophobicContact CD1-CD2 4.04Å; Y717-L723 HydrophobicContact CE1-CD2 3.8Å; L723-F727 HydrophobicContact CB-CB 4.36Å; L723-F727 HydrophobicContact CB-CG 4.35Å; L723-F727 HydrophobicContact CD1-CD1 3.91Å; L723-F727 HydrophobicContact CD1-CD2 4.34Å; L723-F727 HydrophobicContact CD1-CE1 3.87Å; L723-F727 HydrophobicContact CD1-CE2 4.31Å; L723-F727 HydrophobicContact CD1-CG 4.14Å; L723-F727 HydrophobicContact CD1-CZ 4.07Å; L723-F727 HydrophobicContact CD2-CD2 4.01Å; L723-F727 HydrophobicContact CD2-CE2 3.97Å; L723-F727 HydrophobicContact CD2-CZ 4.44Å; L723-I735 HydrophobicContact CD2-CD1 4.05Å; L723-G782 PolarHBondContact N-O 3.39Å; L723-F860 HydrophobicContact CD1-CB 3.61Å; L723-F860 HydrophobicContact CD1-CD1 3.72Å; L723-F860 HydrophobicContact CD1-CD2 3.96Å; L723-F860 HydrophobicContact CD1-CE1 4.34Å; L723-F860 HydrophobicContact CD1-CG 3.49Å; L723-F860 VanDerWaalsContact CD1-CG 3.49Å; L723-F860 HydrophobicContact CD2-CD1 4.35Å; L723-F860 HydrophobicContact CD2-CE1 4.2Å; L723-F860 HydrophobicContact CD2-CZ 4.44Å; L723-F860 HydrophobicContact CG-CB 4.42Å; L723-F860 HydrophobicContact CG-CD1 3.65Å; L723-F860 HydrophobicContact CG-CE1 3.97Å; L723-F860 HydrophobicContact CG-CG 4Å
724	L	95.8	Very high	94.4	Very high	33 Å²	33	68.3 Å²	68.3	17%	0.173	33%	0.326	C	S	.	.			trans	-56.9	150.8	174.9	-69.8	167.8	0	0	0	112.8	R714 W716 D718 E726 F727	R714-L724 VanDerWaalsContact CZ-CD1 3.49Å; W716-L724 HydrophobicContact CE3-CB 4.44Å; W716-L724 HydrophobicContact CE3-CD1 4.22Å; W716-L724 WeakPolarHBondContact O-CG 3.41Å; W716-L724 PolarHBondContact O-N 3.07Å; D718-L724 HydrophobicContact CB-CD2 4.11Å; L724-E726 HydrophobicContact CB-CG 4.22Å; L724-E726 PolarHBondContact O-N 3.28Å; L724-F727 WeakPolarHBondContact O-CB 3.43Å; L724-F727 PolarHBondContact O-N 3.49Å
725	Q	93.1	Very high	94.6	Very high	134 Å²	134	63.3 Å²	63.3	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30	-179	-165.7	65.5	22.6	0	0	112.6	F727	Q725-F727 VanDerWaalsContact C-N 3.27Å; Q725-F727 PolarHBondContact O-N 2.85Å
726	E	93.9	Very high	94.7	Very high	111 Å²	111	63 Å²	63	52%	0.519	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.2	175.1	65.4	-100.5	-138.2	0	0	115.2	R714 W716 L724	R714-E726 IonicContact CZ-OE1 3.73Å; R714-E726 IonicContact NH1-OE1 3.35Å; R714-E726 PolarHBondContact NH1-OE1 3.2Å; R714-E726 IonicContact NH2-OE1 2.82Å; R714-E726 PolarHBondContact NH2-OE1 2.9Å; W716-E726 HydrophobicContact CZ3-CG 4.01Å; L724-E726 HydrophobicContact CB-CG 4.22Å; L724-E726 PolarHBondContact O-N 3.28Å
727	F	96.4	Very high	94.7	Very high	9 Å²	9	61.7 Å²	61.7	4%	0.039	30%	0.298	C	S	.	.			trans	-65.5	134.3	177.1	-173.7	-91.5	0	0	0	111.7	W716 L723 L724 Q725 K729 P732 P733 I735 I841 V843	W716-F727 HydrophobicContact CB-CD2 3.89Å; W716-F727 HydrophobicContact CB-CE2 4.14Å; W716-F727 AromaticContact CD2-CD2 3.63Å; W716-F727 HydrophobicContact CD2-CD2 3.63Å; W716-F727 HydrophobicContact CD2-CE2 4.19Å; W716-F727 HydrophobicContact CE3-CB 4.16Å; W716-F727 AromaticContact CE3-CD2 3.72Å; W716-F727 HydrophobicContact CE3-CD2 3.72Å; W716-F727 HydrophobicContact CE3-CG 4.42Å; W716-F727 AromaticContact CG-CD2 3.7Å; W716-F727 HydrophobicContact CG-CD2 3.7Å; W716-F727 AromaticContact CG-CE2 3.91Å; W716-F727 HydrophobicContact CG-CE2 3.91Å; W716-F727 HydrophobicContact CZ3-CB 4.45Å; W716-F727 HydrophobicContact CZ3-CD2 4.46Å; L723-F727 HydrophobicContact CB-CB 4.36Å; L723-F727 HydrophobicContact CB-CG 4.35Å; L723-F727 HydrophobicContact CD1-CD1 3.91Å; L723-F727 HydrophobicContact CD1-CD2 4.34Å; L723-F727 HydrophobicContact CD1-CE1 3.87Å; L723-F727 HydrophobicContact CD1-CE2 4.31Å; L723-F727 HydrophobicContact CD1-CG 4.14Å; L723-F727 HydrophobicContact CD1-CZ 4.07Å; L723-F727 HydrophobicContact CD2-CD2 4.01Å; L723-F727 HydrophobicContact CD2-CE2 3.97Å; L723-F727 HydrophobicContact CD2-CZ 4.44Å; L724-F727 WeakPolarHBondContact O-CB 3.43Å; L724-F727 PolarHBondContact O-N 3.49Å; Q725-F727 VanDerWaalsContact C-N 3.27Å; Q725-F727 PolarHBondContact O-N 2.85Å; F727-K729 PolarHBondContact O-N 3.45Å; F727-K729 VanDerWaalsContact O-N 3.13Å; F727-P732 HydrophobicContact CE1-CB 3.95Å; F727-P732 HydrophobicContact CE1-CG 4.41Å; F727-P732 HydrophobicContact CZ-CB 3.97Å; F727-P733 HydrophobicContact CD2-CG 4.48Å; F727-P733 HydrophobicContact CE2-CG 3.79Å; F727-P733 HydrophobicContact CZ-CG 4.16Å; F727-I735 HydrophobicContact CE2-CD1 4.13Å; F727-I735 HydrophobicContact CZ-CD1 4.48Å; F727-I841 HydrophobicContact CD1-CD1 4.44Å; F727-I841 HydrophobicContact CE1-CD1 4.24Å; F727-V843 HydrophobicContact CE1-CG2 4.15Å; F727-V843 HydrophobicContact CZ-CG1 4.05Å; F727-V843 HydrophobicContact CZ-CG2 4.04Å
728	N	94.2	Very high	94.8	Very high	72 Å²	72	61.1 Å²	61.1	39%	0.385	30%	0.296	S	S	.	.			trans	-73.6	106	176.6	-173.8	4.8	0	0	0	110.7	I730 E731 P732	N728-I730 VanDerWaalsContact C-N 3.35Å; N728-I730 PolarHBondContact OD1-N 2.92Å; N728-E731 VanDerWaalsContact CG-O 3.32Å; N728-E731 PolarHBondContact ND2-N 3.23Å; N728-E731 PolarHBondContact ND2-O 3Å; N728-E731 PolarHBondContact OD1-N 3.17Å; N728-P732 WeakPolarHBondContact O-CA 3.29Å
729	K	92.5	Very high	94.9	Very high	67 Å²	67	59 Å²	59	29%	0.291	29%	0.285	S	S	.	.	S	Bend	trans	-81.7	-11.8	179.1	-54.8	-179.4	-173	171.9	0	113.7	F727 I841 S862	F727-K729 PolarHBondContact O-N 3.45Å; F727-K729 VanDerWaalsContact O-N 3.13Å; K729-I841 HydrophobicContact CB-CD1 3.97Å; K729-I841 HydrophobicContact CG-CD1 3.92Å; K729-S862 PolarHBondContact NZ-O 3.2Å
730	I	89.5	Confident	95	Very high	165 Å²	165	56.3 Å²	56.3	85%	0.846	28%	0.275	S	S	*	.	S	Bend	trans	-96	-44.5	-175.4	-60.5	169	0	0	0	110.8	N728	N728-I730 VanDerWaalsContact C-N 3.35Å; N728-I730 PolarHBondContact OD1-N 2.92Å
731	E	91	Very high	95.2	Very high	125 Å²	125	54 Å²	54	58%	0.584	27%	0.267	S	S	*	.	S	Bend	trans	-125.2	86.8	168.2	-170.8	-178	-173.4	0	0	108.8	N728 K813	N728-E731 VanDerWaalsContact CG-O 3.32Å; N728-E731 PolarHBondContact ND2-N 3.23Å; N728-E731 PolarHBondContact ND2-O 3Å; N728-E731 PolarHBondContact OD1-N 3.17Å; E731-K813 IonicContact OE1-NZ 3.27Å
732	P	94.6	Very high	95.3	Very high	29 Å²	29	51.3 Å²	51.3	19%	0.188	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.4	130.5	-178.7	-26.6	36.9	0	0	0	112.7	F727 N728 V843	F727-P732 HydrophobicContact CE1-CB 3.95Å; F727-P732 HydrophobicContact CE1-CG 4.41Å; F727-P732 HydrophobicContact CZ-CB 3.97Å; N728-P732 WeakPolarHBondContact O-CA 3.29Å; P732-V843 HydrophobicContact CB-CG1 4.27Å; P732-V843 HydrophobicContact CB-CG2 4.11Å; P732-V843 HydrophobicContact CG-CG2 4.48Å
733	P	94.6	Very high	95.3	Very high	27 Å²	27	51.5 Å²	51.5	18%	0.175	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-65.7	155.6	171.5	29.1	-35.3	0	0	0	111.2	W716 F727 I735	W716-P733 HydrophobicContact CZ2-CG 4.3Å; F727-P733 HydrophobicContact CD2-CG 4.48Å; F727-P733 HydrophobicContact CE2-CG 3.79Å; F727-P733 HydrophobicContact CZ-CG 4.16Å; P733-I735 PolarHBondContact O-N 3.43Å
734	L	95.6	Very high	95.3	Very high	59 Å²	59	51.5 Å²	51.5	31%	0.309	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64.6	132.4	168.2	-55.2	179.5	0	0	0	109.3	F736 R844 F846	L734-F736 HydrophobicContact CB-CE2 3.82Å; L734-F736 HydrophobicContact CB-CZ 4.41Å; L734-F736 HydrophobicContact CD1-CE2 4.49Å; L734-F736 HydrophobicContact CD1-CZ 4.46Å; L734-R844 HydrophobicContact CD2-CB 3.64Å; L734-R844 HydrophobicContact CD2-CG 4.43Å; L734-F846 HydrophobicContact CB-CE2 4.3Å; L734-F846 HydrophobicContact CD1-CE2 4.19Å; L734-F846 HydrophobicContact CD2-CE2 4.28Å; L734-F846 HydrophobicContact CG-CE2 4.48Å
735	I	97.7	Very high	95.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.2	175	-59.1	-178.2	0	0	0	109.8	Y717 L723 F727 P733 E737 V843 R844 V845 F846	Y717-I735 HydrophobicContact CE2-CG2 4.08Å; L723-I735 HydrophobicContact CD2-CD1 4.05Å; F727-I735 HydrophobicContact CE2-CD1 4.13Å; F727-I735 HydrophobicContact CZ-CD1 4.48Å; P733-I735 PolarHBondContact O-N 3.43Å; I735-E737 HydrophobicContact CG2-CG 4.39Å; I735-V843 HydrophobicContact CD1-CG1 3.76Å; I735-V843 HydrophobicContact CG1-CG1 4.01Å; I735-R844 PolarHBondContact N-O 3.07Å; I735-V845 HydrophobicContact CB-CG1 4.34Å; I735-V845 HydrophobicContact CB-CG2 4.25Å; I735-V845 HydrophobicContact CG2-CG1 4.38Å; I735-V845 CarbonylContact O-C 3.56Å; I735-V845 WeakPolarHBondContact O-CA 3.28Å; I735-F846 PolarHBondContact O-N 2.87Å
736	F	98.1	Very high	95.2	Very high	19 Å²	19	60.2 Å²	60.2	8%	0.083	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	100.3	173.3	-65.7	-93.1	0	0	0	109	C708 L711 S712 L734 N750 F846 Q850 L852	C708-F736 WeakPolarHBondContact CB-O 3.14Å; L711-F736 HydrophobicContact CB-CB 4.05Å; L711-F736 HydrophobicContact CB-CD2 3.55Å; L711-F736 HydrophobicContact CB-CE2 4.15Å; L711-F736 HydrophobicContact CB-CG 3.82Å; L711-F736 HydrophobicContact CD1-CB 4.09Å; L711-F736 HydrophobicContact CD1-CD1 4.17Å; L711-F736 HydrophobicContact CD1-CG 4.01Å; S712-F736 PolarHBondContact OG-N 3.05Å; L734-F736 HydrophobicContact CB-CE2 3.82Å; L734-F736 HydrophobicContact CB-CZ 4.41Å; L734-F736 HydrophobicContact CD1-CE2 4.49Å; L734-F736 HydrophobicContact CD1-CZ 4.46Å; F736-N750 PolarHBondContact O-ND2 3.26Å; F736-F846 HydrophobicContact CD1-CB 3.82Å; F736-F846 AromaticContact CD1-CD2 3.89Å; F736-F846 HydrophobicContact CD1-CD2 3.89Å; F736-F846 HydrophobicContact CD1-CG 4.14Å; F736-F846 HydrophobicContact CE1-CB 4.09Å; F736-F846 AromaticContact CE1-CD2 3.47Å; F736-F846 HydrophobicContact CE1-CD2 3.47Å; F736-F846 VanDerWaalsContact CE1-CD2 3.47Å; F736-F846 HydrophobicContact CE1-CE2 4.14Å; F736-F846 AromaticContact CE1-CG 3.9Å; F736-F846 HydrophobicContact CE1-CG 3.9Å; F736-F846 HydrophobicContact CE2-CD2 4.3Å; F736-F846 HydrophobicContact CG-CD2 4.47Å; F736-F846 AromaticContact CZ-CD2 3.7Å; F736-F846 HydrophobicContact CZ-CD2 3.7Å; F736-F846 HydrophobicContact CZ-CE2 4.01Å; F736-Q850 HydrophobicContact CD1-CG 4.1Å; F736-Q850 HydrophobicContact CE1-CG 4.34Å; F736-L852 HydrophobicContact CE1-CD2 4.33Å; F736-L852 HydrophobicContact CZ-CD2 4.13Å
737	E	98.2	Very high	95.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.308	C	S	.	.			trans	-69.5	160.7	174.2	-63.8	-150.3	146.6	0	0	111.3	Y717 I735 N739 N750 V752 V753 Q754 V845 F846 M847	Y717-E737 HydrophobicContact CE2-CG 4.45Å; Y717-E737 PolarHBondContact OH-OE1 3.43Å; Y717-E737 VanDerWaalsContact OH-OE1 3.1Å; I735-E737 HydrophobicContact CG2-CG 4.39Å; E737-N739 PolarHBondContact O-N 3.44Å; E737-N750 WeakPolarHBondContact CA-ND2 3.43Å; E737-N750 WeakPolarHBondContact CB-O 3.26Å; E737-V752 PolarHBondContact OE1-N 2.72Å; E737-V753 PolarHBondContact OE1-N 3.38Å; E737-Q754 WeakPolarHBondContact OE2-CB 3.37Å; E737-Q754 VanDerWaalsContact OE2-CG 3.29Å; E737-Q754 WeakPolarHBondContact OE2-CG 3.5Å; E737-Q754 PolarHBondContact OE2-N 2.83Å; E737-Q754 PolarHBondContact OE2-NE2 3.33Å; E737-V845 HydrophobicContact CG-CG1 3.8Å; E737-F846 PolarHBondContact N-O 3.22Å; E737-M847 HydrophobicContact CB-CG 4.12Å; E737-M847 HydrophobicContact CG-CG 4.17Å
738	C	97.8	Very high	95.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.			trans	-65.8	133.7	170.6	-72.7	0	0	0	0	109.7	C742 N750 R751 Q754	C738-C742 HydrophobicContact CB-CB 4.43Å; C738-N750 PolarHBondContact N-ND2 3.2Å; C738-N750 PolarHBondContact N-O 3.17Å; C738-R751 HydrophobicContact CB-CG 4.07Å; C738-R751 PolarHBondContact O-NH1 3.41Å; C738-Q754 PolarHBondContact O-NE2 3.28Å; C738-Q754 PolarHBondContact O-OE1 3.37Å
739	N	96.8	Very high	95.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.301	C	S	.	.			trans	-106.7	-161.9	-174.5	60	45.3	0	0	0	111	L692 Q693 E737 A741 C742 R751 M847 Q850	L692-N739 HydrophobicContact CD1-CB 4.29Å; Q693-N739 PolarHBondContact O-ND2 2.86Å; E737-N739 PolarHBondContact O-N 3.44Å; N739-A741 WeakPolarHBondContact OD1-CA 3.25Å; N739-A741 WeakPolarHBondContact OD1-CB 3.34Å; N739-A741 PolarHBondContact OD1-N 3.07Å; N739-C742 PolarHBondContact N-SG 3.2Å; N739-C742 VanDerWaalsContact N-SG 3.37Å; N739-C742 PolarHBondContact OD1-N 3.46Å; N739-C742 PolarHBondContact OD1-SG 3.05Å; N739-C742 VanDerWaalsContact OD1-SG 3.4Å; N739-R751 PolarHBondContact O-NH1 3.04Å; N739-R751 PolarHBondContact O-NH2 3.44Å; N739-M847 WeakPolarHBondContact CB-O 3.28Å; N739-Q850 PolarHBondContact ND2-NE2 3.31Å
740	M	94.9	Very high	95.4	Very high	93 Å²	93	56.8 Å²	56.8	46%	0.458	29%	0.287	S	S	.	.	S	Bend	trans	-88	-9.1	-179.8	-60.4	-66.3	93.2	0	0	114.1	R751 L848	M740-R751 VanDerWaalsContact CE-NH1 3.32Å; M740-L848 HydrophobicContact CG-CD2 4.33Å
741	A	96.2	Very high	95.8	Very high	28 Å²	28	49.6 Å²	49.6	23%	0.231	25%	0.25	C	C	.	.	S	Bend	trans	-89.7	-13.2	171.9	0	0	0	0	0	112.6	I689 L692 H694 N739	I689-A741 HydrophobicContact CG1-CB 4.35Å; L692-A741 HydrophobicContact CB-CB 4.21Å; L692-A741 HydrophobicContact CD1-CB 4.39Å; H694-A741 HydrophobicContact CB-CB 3.82Å; H694-A741 PolarHBondContact CD2-O 3.03Å; H694-A741 VanDerWaalsContact CD2-O 3.31Å; N739-A741 WeakPolarHBondContact OD1-CA 3.25Å; N739-A741 WeakPolarHBondContact OD1-CB 3.34Å; N739-A741 PolarHBondContact OD1-N 3.07Å
742	C	97.1	Very high	96.1	Very high	15 Å²	15	43.8 Å²	43.8	10%	0.101	22%	0.223	C	C	.	.	S	Bend	trans	-66.7	143.8	175.3	-61.5	0	0	0	0	112.5	H694 C695 C738 N739 C744	H694-C742 HydrophobicContact CB-CB 4.48Å; C695-C742 PolarHBondContact N-SG 3.31Å; C695-C742 VanDerWaalsContact N-SG 3.44Å; C695-C742 WeakPolarHBondContact O-CA 3.47Å; C738-C742 HydrophobicContact CB-CB 4.43Å; N739-C742 PolarHBondContact N-SG 3.2Å; N739-C742 VanDerWaalsContact N-SG 3.37Å; N739-C742 PolarHBondContact OD1-N 3.46Å; N739-C742 PolarHBondContact OD1-SG 3.05Å; N739-C742 VanDerWaalsContact OD1-SG 3.4Å; C742-C744 VanDerWaalsContact CB-SG 3.55Å; C742-C744 PolarHBondContact O-N 3.12Å
743	S	96.9	Very high	96.2	Very high	83 Å²	83	42.7 Å²	42.7	58%	0.58	22%	0.215	S	C	*	.	S	Bend	trans	-75.1	-6.9	175.8	-48.6	0	0	0	0	114.3	C695 C697	C695-S743 PolarHBondContact O-N 2.66Å; C697-S743 CarbonylContact O-C 3.58Å
744	C	96.5	Very high	96.3	Very high	10 Å²	10	43.6 Å²	43.6	7%	0.068	22%	0.217	C	C	.	.	S	Bend	trans	-87.6	151.4	-174.3	64	0	0	0	0	113.4	C697 C701 C742 C748 R751	C697-C744 HydrophobicContact CB-CB 4.09Å; C697-C744 WeakPolarHBondContact O-CA 3.43Å; C697-C744 PolarHBondContact O-N 3.1Å; C701-C744 WeakPolarHBondContact SG-CB 3.28Å; C701-C744 PolarHBondContact SG-SG 3.12Å; C742-C744 VanDerWaalsContact CB-SG 3.55Å; C742-C744 PolarHBondContact O-N 3.12Å; C744-C748 HydrophobicContact CB-CB 4.26Å; C744-R751 PolarHBondContact O-NH2 3.46Å
745	Y	94.5	Very high	96.2	Very high	171 Å²	171	42.5 Å²	42.5	67%	0.671	22%	0.217	S	C	*	.			trans	-59.9	154.3	-179.6	-61.8	-79.6	0	0	0	113.3	T747 C748 R751	Y745-T747 PolarHBondContact O-N 3.2Å; Y745-C748 WeakPolarHBondContact O-CB 3.46Å; Y745-C748 PolarHBondContact O-N 3.11Å; Y745-C748 PolarHBondContact O-SG 2.89Å; Y745-C748 VanDerWaalsContact O-SG 3.38Å; Y745-R751 PolarHBondContact O-NE 3.09Å; Y745-R751 VanDerWaalsContact O-NE 3.14Å
746	R	93	Very high	96.1	Very high	179 Å²	179	43.6 Å²	43.6	68%	0.675	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.8	175.3	-161.5	174.1	179.3	109.7	1.4	113.7	R751	R746-R751 VanDerWaalsContact O-CD 3.22Å; R746-R751 WeakPolarHBondContact O-CD 3.4Å
747	T	93.4	Very high	96	Very high	126 Å²	126	42.9 Å²	42.9	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	7.9	176.5	50.7	0	0	0	0	114.1	Y745	Y745-T747 PolarHBondContact O-N 3.2Å
748	C	95.4	Very high	95.9	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.034	24%	0.244	C	C	.	.	S	Bend	trans	-65	152.5	174.2	74.7	0	0	0	0	111.7	D700 C701 C744 Y745 N750 R751	D700-C748 WeakPolarHBondContact O-CB 3.39Å; C701-C748 HydrophobicContact CB-CB 4.07Å; C744-C748 HydrophobicContact CB-CB 4.26Å; Y745-C748 WeakPolarHBondContact O-CB 3.46Å; Y745-C748 PolarHBondContact O-N 3.11Å; Y745-C748 PolarHBondContact O-SG 2.89Å; Y745-C748 VanDerWaalsContact O-SG 3.38Å; C748-N750 VanDerWaalsContact C-N 3.29Å; C748-N750 PolarHBondContact O-N 3.17Å; C748-R751 PolarHBondContact SG-NE 2.97Å
749	K	95.6	Very high	95.9	Very high	56 Å²	56	47.7 Å²	47.7	24%	0.243	25%	0.247	C	C	.	.	S	Bend	trans	-61	-30.9	-170.9	-73.9	176.7	177.9	144.2	0	114.9	D700 R751	D700-K749 PolarHBondContact O-N 3.35Å; D700-K749 WeakPolarHBondContact OD2-CD 3.44Å; D700-K749 WeakPolarHBondContact OD2-CE 3.09Å; D700-K749 IonicContact OD2-NZ 3.85Å; D700-K749 PolarHBondContact OD2-NZ 2.99Å; K749-R751 PolarHBondContact O-N 2.97Å
750	N	96.9	Very high	95.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.273	C	S	.	.	S	Bend	trans	-81.7	50.1	-178.4	-166	43	0	0	0	112.5	C701 C708 F736 E737 C738 C748	C701-N750 HydrophobicContact CB-CB 4.44Å; C708-N750 WeakPolarHBondContact CB-ND2 3.36Å; F736-N750 PolarHBondContact O-ND2 3.26Å; E737-N750 WeakPolarHBondContact CA-ND2 3.43Å; E737-N750 WeakPolarHBondContact CB-O 3.26Å; C738-N750 PolarHBondContact N-ND2 3.2Å; C738-N750 PolarHBondContact N-O 3.17Å; C748-N750 VanDerWaalsContact C-N 3.29Å; C748-N750 PolarHBondContact O-N 3.17Å
751	R	96.8	Very high	96	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.049	25%	0.251	C	S	.	.			trans	-152.2	60.7	-177	-63.3	-175.5	-174.6	-83.7	-1.6	109.9	C738 N739 M740 C744 Y745 R746 C748 K749 Q754	C738-R751 HydrophobicContact CB-CG 4.07Å; C738-R751 PolarHBondContact O-NH1 3.41Å; N739-R751 PolarHBondContact O-NH1 3.04Å; N739-R751 PolarHBondContact O-NH2 3.44Å; M740-R751 VanDerWaalsContact CE-NH1 3.32Å; C744-R751 PolarHBondContact O-NH2 3.46Å; Y745-R751 PolarHBondContact O-NE 3.09Å; Y745-R751 VanDerWaalsContact O-NE 3.14Å; R746-R751 VanDerWaalsContact O-CD 3.22Å; R746-R751 WeakPolarHBondContact O-CD 3.4Å; C748-R751 PolarHBondContact SG-NE 2.97Å; K749-R751 PolarHBondContact O-N 2.97Å; R751-Q754 HydrophobicContact CB-CG 3.77Å; R751-Q754 HydrophobicContact CG-CG 4.3Å
752	V	97.2	Very high	96.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	24%	0.242	C	C	.	.	S	Bend	trans	-94.5	-51.1	-174.9	179.3	0	0	0	0	111	Y717 Q721 E737 A755 F784	Y717-V752 HydrophobicContact CD1-CB 4.16Å; Y717-V752 HydrophobicContact CD1-CG2 3.63Å; Y717-V752 HydrophobicContact CD2-CB 4.42Å; Y717-V752 HydrophobicContact CD2-CG2 3.68Å; Y717-V752 HydrophobicContact CE1-CB 3.86Å; Y717-V752 HydrophobicContact CE1-CG1 4.25Å; Y717-V752 HydrophobicContact CE1-CG2 3.86Å; Y717-V752 HydrophobicContact CE2-CB 4.1Å; Y717-V752 HydrophobicContact CE2-CG2 3.86Å; Y717-V752 HydrophobicContact CG-CB 4.41Å; Y717-V752 HydrophobicContact CG-CG2 3.53Å; Q721-V752 HydrophobicContact CB-CG1 4.26Å; Q721-V752 HydrophobicContact CB-CG2 3.86Å; Q721-V752 HydrophobicContact CG-CG2 4.19Å; E737-V752 PolarHBondContact OE1-N 2.72Å; V752-A755 WeakPolarHBondContact O-CB 3.48Å; V752-A755 PolarHBondContact O-N 2.98Å; V752-F784 HydrophobicContact CG1-CB 3.84Å; V752-F784 HydrophobicContact CG1-CG 4.5Å
753	V	97.4	Very high	96.2	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-71.9	-42.6	-177.6	-178	0	0	0	0	110.5	E737 A755 G756 F784 V845 M847 A858 F860	E737-V753 PolarHBondContact OE1-N 3.38Å; V753-A755 PolarHBondContact O-N 3.29Å; V753-G756 PolarHBondContact O-N 3.02Å; V753-F784 HydrophobicContact CB-CE2 4.43Å; V753-F784 HydrophobicContact CB-CZ 4.4Å; V753-F784 HydrophobicContact CG1-CE1 4.45Å; V753-F784 HydrophobicContact CG1-CE2 3.93Å; V753-F784 HydrophobicContact CG1-CZ 3.81Å; V753-F784 HydrophobicContact CG2-CD2 4.05Å; V753-F784 HydrophobicContact CG2-CE2 4.1Å; V753-F784 HydrophobicContact CG2-CG 4.46Å; V753-V845 HydrophobicContact CB-CG1 4.4Å; V753-V845 HydrophobicContact CG2-CG1 4.24Å; V753-V845 HydrophobicContact CG2-CG2 4.26Å; V753-M847 HydrophobicContact CB-CE 4.13Å; V753-M847 HydrophobicContact CB-SD 3.95Å; V753-M847 HydrophobicContact CG1-CE 3.49Å; V753-M847 VanDerWaalsContact CG1-CE 3.49Å; V753-M847 HydrophobicContact CG1-SD 3.83Å; V753-A858 HydrophobicContact CG1-CB 3.93Å; V753-A858 HydrophobicContact CG2-CB 3.68Å; V753-F860 HydrophobicContact CG2-CE2 4.3Å; V753-F860 HydrophobicContact CG2-CZ 3.82Å
754	Q	95.9	Very high	96.2	Very high	46 Å²	46	46 Å²	46	22%	0.215	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-65.7	0.4	176.1	75.1	-170	-110.9	0	0	114.9	E737 C738 R751 M847	E737-Q754 WeakPolarHBondContact OE2-CB 3.37Å; E737-Q754 VanDerWaalsContact OE2-CG 3.29Å; E737-Q754 WeakPolarHBondContact OE2-CG 3.5Å; E737-Q754 PolarHBondContact OE2-N 2.83Å; E737-Q754 PolarHBondContact OE2-NE2 3.33Å; C738-Q754 PolarHBondContact O-NE2 3.28Å; C738-Q754 PolarHBondContact O-OE1 3.37Å; R751-Q754 HydrophobicContact CB-CG 3.77Å; R751-Q754 HydrophobicContact CG-CG 4.3Å; Q754-M847 HydrophobicContact CB-CG 4.24Å; Q754-M847 HydrophobicContact CB-SD 3.68Å; Q754-M847 PolarHBondContact N-SD 3.27Å
755	A	94.8	Very high	96.2	Very high	36 Å²	36	47.2 Å²	47.2	30%	0.298	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-96	-0.2	173.4	0	0	0	0	0	113.3	N653 V752 V753 K758	N653-A755 PolarHBondContact ND2-O 3.41Å; V752-A755 WeakPolarHBondContact O-CB 3.48Å; V752-A755 PolarHBondContact O-N 2.98Å; V753-A755 PolarHBondContact O-N 3.29Å; A755-K758 VanDerWaalsContact CB-CE 3.48Å
756	G	94.7	Very high	96.2	Very high	24 Å²	24	39.6 Å²	39.6	25%	0.247	19%	0.19	C	C	.	.			trans	73.3	-177.5	177.3	0	0	0	0	0	114.4	V753	V753-G756 PolarHBondContact O-N 3.02Å
757	I	96.8	Very high	96	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.195	C	C	.	.			trans	-61	138.4	-178.3	-61.8	-178.6	0	0	0	110.5	E652 N653 I656 V759 C786 I828	E652-I757 HydrophobicContact CG-CD1 4.22Å; E652-I757 WeakPolarHBondContact OE2-CG1 3.47Å; N653-I757 WeakPolarHBondContact CB-O 3.41Å; N653-I757 PolarHBondContact ND2-O 3.28Å; I656-I757 HydrophobicContact CD1-CD1 4.11Å; I757-V759 HydrophobicContact CG2-CG2 4.48Å; I757-C786 HydrophobicContact CD1-CB 3.72Å; I757-C786 HydrophobicContact CG1-CB 3.97Å; I757-I828 HydrophobicContact CD1-CG2 3.95Å
758	K	95.4	Very high	96	Very high	92 Å²	92	40 Å²	40	40%	0.4	19%	0.188	S	C	.	.			trans	-132.3	-7.3	178.2	-62.1	179.9	-167.1	171.5	0	114.5	I654 A755	I654-K758 VanDerWaalsContact CD1-C 3.45Å; I654-K758 WeakPolarHBondContact CD1-O 3.19Å; A755-K758 VanDerWaalsContact CB-CE 3.48Å
759	V	96.7	Very high	95.9	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	20%	0.199	C	C	.	.	S	Bend	trans	-97.9	142.3	176.2	-69.1	0	0	0	0	109.6	I757 L761 I779 I785	I757-V759 HydrophobicContact CG2-CG2 4.48Å; V759-L761 HydrophobicContact CG2-CD2 3.83Å; V759-L761 HydrophobicContact CG2-CG 4.09Å; V759-L761 PolarHBondContact O-N 2.75Å; V759-I779 HydrophobicContact CB-CD1 3.83Å; V759-I779 HydrophobicContact CB-CG1 4.26Å; V759-I779 HydrophobicContact CG1-CD1 3.94Å; V759-I779 HydrophobicContact CG1-CG1 3.97Å; V759-I779 HydrophobicContact CG1-CG2 3.95Å; V759-I779 HydrophobicContact CG2-CD1 4.11Å; V759-I785 HydrophobicContact CG2-CD1 4.38Å; V759-I785 HydrophobicContact CG2-CG2 4.16Å
760	R	97.6	Very high	95.9	Very high	143 Å²	143	40.7 Å²	40.7	54%	0.54	20%	0.199	S	C	.	.			trans	-75.3	114.8	173.8	-60.9	-171.3	71.4	-164	0.3	109.6	I654 M776 Q777	I654-R760 HydrophobicContact CG2-CG 4.13Å; R760-M776 HydrophobicContact CB-CB 3.9Å; R760-M776 PolarHBondContact O-N 2.74Å; R760-Q777 HydrophobicContact CB-CG 4.38Å
761	L	98.1	Very high	95.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	161.3	175.8	-57.1	-176.4	0	0	0	110.3	I656 V759 V773 I779 I785 I828 L871	I656-L761 HydrophobicContact CG2-CB 4.35Å; V759-L761 HydrophobicContact CG2-CD2 3.83Å; V759-L761 HydrophobicContact CG2-CG 4.09Å; V759-L761 PolarHBondContact O-N 2.75Å; L761-V773 HydrophobicContact CB-CG1 4.09Å; L761-V773 HydrophobicContact CD1-CG1 4.29Å; L761-I779 HydrophobicContact CD2-CD1 4.47Å; L761-I785 HydrophobicContact CD1-CG2 4.26Å; L761-I785 HydrophobicContact CD2-CG2 4.3Å; L761-I828 HydrophobicContact CD1-CG2 4.37Å; L761-L871 HydrophobicContact CD2-CD1 3.65Å
762	Q	97.9	Very high	96	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.9	171.7	177	176.4	59.8	0	0	109.7	P657 V659 V773 R774 M776	P657-Q762 HydrophobicContact CG-CB 4.38Å; P657-Q762 HydrophobicContact CG-CG 4.19Å; V659-Q762 HydrophobicContact CG1-CG 4.39Å; V659-Q762 HydrophobicContact CG2-CG 3.94Å; Q762-V773 WeakPolarHBondContact O-CA 3.43Å; Q762-R774 HydrophobicContact CB-CG 4.34Å; Q762-R774 PolarHBondContact N-O 3.06Å; Q762-R774 PolarHBondContact O-N 3.33Å; Q762-M776 HydrophobicContact CB-CG 3.52Å; Q762-M776 HydrophobicContact CB-SD 3.73Å; Q762-M776 HydrophobicContact CG-SD 4.33Å; Q762-M776 PolarHBondContact OE1-SD 3.37Å
763	L	98.2	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.8	167.2	-179.2	65.6	0	0	0	107.8	V647 P657 C658 V659 P668 W771 V773 I828 F831	V647-L763 HydrophobicContact CG1-CD2 4.01Å; P657-L763 PolarHBondContact O-N 3.48Å; C658-L763 CarbonylContact C-O 3.59Å; C658-L763 VanDerWaalsContact CA-O 3.28Å; C658-L763 WeakPolarHBondContact CA-O 3.31Å; C658-L763 HydrophobicContact CB-CB 4.35Å; C658-L763 HydrophobicContact CB-CD2 4.16Å; V659-L763 PolarHBondContact N-O 3.07Å; P668-L763 HydrophobicContact CG-CD2 3.91Å; L763-W771 HydrophobicContact CD1-CB 4.17Å; L763-W771 HydrophobicContact CD1-CE3 4.32Å; L763-W771 HydrophobicContact CD2-CE3 4.48Å; L763-W771 HydrophobicContact CG-CE3 4Å; L763-V773 HydrophobicContact CD1-CG2 4.39Å; L763-I828 HydrophobicContact CB-CD1 4.1Å; L763-I828 HydrophobicContact CD1-CD1 4.33Å; L763-F831 HydrophobicContact CD1-CB 3.45Å; L763-F831 VanDerWaalsContact CD1-CB 3.45Å; L763-F831 HydrophobicContact CD1-CD1 3.89Å; L763-F831 HydrophobicContact CD1-CD2 3.77Å; L763-F831 HydrophobicContact CD1-CE2 4.45Å; L763-F831 HydrophobicContact CD1-CG 3.44Å; L763-F831 VanDerWaalsContact CD1-CG 3.44Å; L763-F831 HydrophobicContact CD2-CD2 4.29Å; L763-F831 HydrophobicContact CD2-CE2 4.21Å; L763-F831 HydrophobicContact CD2-CZ 4.4Å
764	Y	97.1	Very high	96.1	Very high	30 Å²	30	42.8 Å²	42.8	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.7	180	78.4	-72	0	0	0	112.2	V659 T766 W771 G772 R774 E870	V659-Y764 CarbonylContact O-C 3.59Å; V659-Y764 VanDerWaalsContact O-CA 3.27Å; V659-Y764 WeakPolarHBondContact O-CA 3.34Å; Y764-T766 HydrophobicContact CE2-CG2 3.96Å; Y764-W771 VanDerWaalsContact C-CE3 3.49Å; Y764-G772 WeakPolarHBondContact CD1-O 3.32Å; Y764-G772 PolarHBondContact N-O 2.89Å; Y764-G772 PolarHBondContact O-N 2.84Å; Y764-R774 HydrophobicContact CD1-CB 3.87Å; Y764-R774 HydrophobicContact CD1-CG 3.57Å; Y764-R774 HydrophobicContact CE1-CB 3.57Å; Y764-R774 HydrophobicContact CE1-CG 3.8Å; Y764-R774 HydrophobicContact CG-CG 4.24Å; Y764-E870 HydrophobicContact CE1-CG 4.28Å; Y764-E870 VanDerWaalsContact OH-CB 3.28Å; Y764-E870 WeakPolarHBondContact OH-CB 3.48Å; Y764-E870 VanDerWaalsContact OH-CG 3.25Å; Y764-E870 WeakPolarHBondContact OH-CG 3.28Å; Y764-E870 PolarHBondContact OH-OE2 2.88Å; Y764-E870 VanDerWaalsContact OH-OE2 3.04Å
765	R	96.3	Very high	96.1	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	172.6	-166.8	64.9	169.5	-161	-14.8	110.4	V659 N660 V662 D663 E665 W771	V659-R765 PolarHBondContact O-N 3.24Å; N660-R765 HydrophobicContact CB-CB 4.11Å; N660-R765 VanDerWaalsContact OD1-CB 3.28Å; N660-R765 WeakPolarHBondContact OD1-CB 3.32Å; N660-R765 WeakPolarHBondContact OD1-CG 3.27Å; V662-R765 HydrophobicContact CB-CB 4.3Å; V662-R765 HydrophobicContact CB-CG 3.81Å; V662-R765 HydrophobicContact CG1-CG 4.43Å; V662-R765 HydrophobicContact CG2-CB 4.32Å; V662-R765 HydrophobicContact CG2-CG 4.22Å; V662-R765 WeakPolarHBondContact CG2-O 3.38Å; D663-R765 IonicContact OD1-NE 2.69Å; D663-R765 IonicContact OD1-NH2 3.76Å; D663-R765 IonicContact OD2-CZ 2.82Å; D663-R765 IonicContact OD2-NE 3.7Å; D663-R765 PolarHBondContact OD2-NE 3.5Å; D663-R765 IonicContact OD2-NH2 2.76Å; D663-R765 PolarHBondContact OD2-NH2 3.34Å; E665-R765 IonicContact OE1-CZ 3.29Å; E665-R765 IonicContact OE1-NH1 2.66Å; E665-R765 PolarHBondContact OE1-NH1 3.41Å; E665-R765 IonicContact OE1-NH2 3.54Å; E665-R765 IonicContact OE2-CZ 3.99Å; E665-R765 IonicContact OE2-NH1 2.85Å; E665-R765 PolarHBondContact OE2-NH1 2.87Å; E665-R765 IonicContact OE2-NH2 3.74Å; E665-R765 PolarHBondContact OE2-NH2 3.4Å; R765-W771 HydrophobicContact CB-CE3 4.28Å; R765-W771 HydrophobicContact CB-CH2 4.18Å; R765-W771 HydrophobicContact CB-CZ3 3.94Å; R765-W771 VanDerWaalsContact NH1-NE1 3.1Å
766	T	94.3	Very high	96.2	Very high	10 Å²	10	42 Å²	42	6%	0.061	20%	0.197	C	C	.	.			trans	-85.9	163.5	174.6	74.9	0	0	0	0	111.1	Y764 K768 M769 G770	Y764-T766 HydrophobicContact CE2-CG2 3.96Å; T766-K768 VanDerWaalsContact C-N 3.31Å; T766-K768 PolarHBondContact O-N 3.12Å; T766-M769 WeakPolarHBondContact OG1-CA 3.4Å; T766-M769 PolarHBondContact OG1-N 3.29Å; T766-G770 WeakPolarHBondContact CB-O 3.45Å; T766-G770 PolarHBondContact N-O 2.71Å; T766-G770 PolarHBondContact OG1-N 3Å; T766-G770 PolarHBondContact OG1-O 3.49Å
767	E	90.3	Very high	96.2	Very high	169 Å²	169	44 Å²	44	79%	0.79	20%	0.2	S	C	*	.	S	Bend	trans	-71.5	-20.4	177.7	-62.6	-176	170.7	0	0	114.4
768	K	92	Very high	96.3	Very high	145 Å²	145	48.5 Å²	48.5	63%	0.63	22%	0.224	S	C	*	.	S	Bend	trans	-145	-19.8	-164.8	-65.7	-174.4	-177.8	-179.9	0	116.7	T766 Q890	T766-K768 VanDerWaalsContact C-N 3.31Å; T766-K768 PolarHBondContact O-N 3.12Å; K768-Q890 HydrophobicContact CB-CB 4.23Å; K768-Q890 HydrophobicContact CB-CG 4.47Å; K768-Q890 HydrophobicContact CD-CB 4.41Å
769	M	94	Very high	96.4	Very high	51 Å²	51	44.2 Å²	44.2	25%	0.251	21%	0.206	S	C	.	.	S	Bend	trans	-113.4	11.4	-171.4	-57.6	-173	-61.9	0	0	112.1	T766 N833 E870 Q890	T766-M769 WeakPolarHBondContact OG1-CA 3.4Å; T766-M769 PolarHBondContact OG1-N 3.29Å; M769-N833 HydrophobicContact CE-CB 4.02Å; M769-N833 HydrophobicContact SD-CB 4.4Å; M769-E870 WeakPolarHBondContact CE-OE1 3.31Å; M769-E870 WeakPolarHBondContact CE-OE2 3.46Å; M769-Q890 HydrophobicContact CG-CB 3.99Å; M769-Q890 HydrophobicContact SD-CB 4.27Å
770	G	95.1	Very high	96.5	Very high	25 Å²	25	46 Å²	46	26%	0.258	22%	0.218	S	C	.	.	S	Bend	trans	74.2	-129.5	-172	0	0	0	0	0	110.7	T766	T766-G770 WeakPolarHBondContact CB-O 3.45Å; T766-G770 PolarHBondContact N-O 2.71Å; T766-G770 PolarHBondContact OG1-N 3Å; T766-G770 PolarHBondContact OG1-O 3.49Å
771	W	97.6	Very high	96.4	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	147.8	177	-66.9	99.7	0	0	0	111.9	I643 C658 V659 N660 E665 G666 P668 L763 Y764 R765 F831 N833	I643-W771 HydrophobicContact CD1-CH2 3.98Å; C658-W771 WeakPolarHBondContact SG-CZ3 3.38Å; V659-W771 WeakPolarHBondContact O-CZ3 3.24Å; N660-W771 HydrophobicContact CB-CH2 4.2Å; E665-W771 HydrophobicContact CB-CZ2 4.39Å; E665-W771 HydrophobicContact CG-CZ2 4.44Å; E665-W771 PolarHBondContact OE1-NE1 3.18Å; G666-W771 VanDerWaalsContact O-CZ2 3.25Å; G666-W771 WeakPolarHBondContact O-CZ2 3.3Å; P668-W771 HydrophobicContact CG-CD2 4.27Å; P668-W771 HydrophobicContact CG-CG 4.37Å; L763-W771 HydrophobicContact CD1-CB 4.17Å; L763-W771 HydrophobicContact CD1-CE3 4.32Å; L763-W771 HydrophobicContact CD2-CE3 4.48Å; L763-W771 HydrophobicContact CG-CE3 4Å; Y764-W771 VanDerWaalsContact C-CE3 3.49Å; R765-W771 HydrophobicContact CB-CE3 4.28Å; R765-W771 HydrophobicContact CB-CH2 4.18Å; R765-W771 HydrophobicContact CB-CZ3 3.94Å; R765-W771 VanDerWaalsContact NH1-NE1 3.1Å; W771-F831 HydrophobicContact CB-CD1 3.76Å; W771-F831 HydrophobicContact CB-CE1 4.35Å; W771-F831 HydrophobicContact CG-CD1 4.41Å; W771-N833 PolarHBondContact O-ND2 2.97Å
772	G	97.8	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.2	177.6	0	0	0	0	0	111.2	Y764 F831 N833	Y764-G772 WeakPolarHBondContact CD1-O 3.32Å; Y764-G772 PolarHBondContact N-O 2.89Å; Y764-G772 PolarHBondContact O-N 2.84Å; G772-F831 CarbonylContact C-O 3.56Å; G772-F831 VanDerWaalsContact CA-O 3.31Å; G772-F831 WeakPolarHBondContact CA-O 3.46Å; G772-N833 WeakPolarHBondContact CA-ND2 3.45Å
773	V	98.6	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.4	176.1	-173.9	0	0	0	0	109.4	L761 Q762 L763 I828 F831 I832 L871	L761-V773 HydrophobicContact CB-CG1 4.09Å; L761-V773 HydrophobicContact CD1-CG1 4.29Å; Q762-V773 WeakPolarHBondContact O-CA 3.43Å; L763-V773 HydrophobicContact CD1-CG2 4.39Å; V773-I828 HydrophobicContact CG1-CD1 4.31Å; V773-I828 HydrophobicContact CG1-CG1 4.04Å; V773-I828 HydrophobicContact CG2-CD1 3.67Å; V773-I828 HydrophobicContact CG2-CG1 3.87Å; V773-F831 HydrophobicContact CG2-CB 3.75Å; V773-F831 PolarHBondContact N-O 3.42Å; V773-I832 HydrophobicContact CB-CG1 4.07Å; V773-I832 HydrophobicContact CG2-CG1 3.84Å; V773-L871 HydrophobicContact CG1-CD1 4.09Å; V773-L871 WeakPolarHBondContact O-CB 3.29Å; V773-L871 PolarHBondContact O-N 3.27Å
774	R	97.9	Very high	96.4	Very high	43 Å²	43	41.9 Å²	41.9	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.8	174.6	65.9	-173.5	-169.9	-160.1	5.3	112.9	E640 Q762 Y764 Q869	E640-R774 IonicContact OE1-CZ 3.86Å; E640-R774 IonicContact OE1-NH1 2.72Å; E640-R774 PolarHBondContact OE1-NH1 2.96Å; E640-R774 IonicContact OE1-NH2 3.81Å; E640-R774 PolarHBondContact OE1-NH2 3.12Å; E640-R774 IonicContact OE2-NH2 2.77Å; E640-R774 PolarHBondContact OE2-NH2 3.46Å; Q762-R774 HydrophobicContact CB-CG 4.34Å; Q762-R774 PolarHBondContact N-O 3.06Å; Q762-R774 PolarHBondContact O-N 3.33Å; Y764-R774 HydrophobicContact CD1-CB 3.87Å; Y764-R774 HydrophobicContact CD1-CG 3.57Å; Y764-R774 HydrophobicContact CE1-CB 3.57Å; Y764-R774 HydrophobicContact CE1-CG 3.8Å; Y764-R774 HydrophobicContact CG-CG 4.24Å; R774-Q869 VanDerWaalsContact CA-O 3.25Å; R774-Q869 WeakPolarHBondContact CA-O 3.43Å; R774-Q869 VanDerWaalsContact CB-O 3.29Å; R774-Q869 WeakPolarHBondContact CB-O 3.33Å
775	A	97.7	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.3	173.1	0	0	0	0	0	111.1	Q777 I779 I865 G868 Q869	A775-Q777 WeakPolarHBondContact CB-O 3.46Å; A775-I779 HydrophobicContact CB-CD1 3.65Å; A775-I779 HydrophobicContact CB-CG1 4.25Å; A775-I865 HydrophobicContact CB-CG2 4.17Å; A775-G868 PolarHBondContact O-N 3.44Å; A775-Q869 PolarHBondContact N-O 3.5Å
776	M	95.4	Very high	96.6	Very high	67 Å²	67	38.7 Å²	38.7	33%	0.33	19%	0.194	S	C	.	.	S	Bend	trans	-103.2	14.9	175.4	-66.4	-62	-75.8	0	0	113.2	R760 Q762 S867	R760-M776 HydrophobicContact CB-CB 3.9Å; R760-M776 PolarHBondContact O-N 2.74Å; Q762-M776 HydrophobicContact CB-CG 3.52Å; Q762-M776 HydrophobicContact CB-SD 3.73Å; Q762-M776 HydrophobicContact CG-SD 4.33Å; Q762-M776 PolarHBondContact OE1-SD 3.37Å; M776-S867 VanDerWaalsContact C-OG 3.32Å
777	Q	96.1	Very high	96.7	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	19%	0.193	S	C	.	.	S	Bend	trans	-158.8	164.2	-179.8	56.4	171.2	94.2	0	0	108.1	R760 A775 I779 S867	R760-Q777 HydrophobicContact CB-CG 4.38Å; A775-Q777 WeakPolarHBondContact CB-O 3.46Å; Q777-I779 HydrophobicContact CG-CG1 4.03Å; Q777-S867 PolarHBondContact N-OG 2.77Å
778	D	97.6	Very high	97.1	Very high	98 Å²	98	31.2 Å²	31.2	52%	0.524	16%	0.158	S	C	.	.			trans	-69.5	137.4	165.5	-58.5	-27.9	0	0	0	109.6	I865 L866 S867	D778-I865 CarbonylContact C-O 3.57Å; D778-I865 WeakPolarHBondContact CA-O 3.47Å; D778-L866 WeakPolarHBondContact OD1-CA 3.29Å; D778-S867 PolarHBondContact OD1-N 3.24Å
779	I	98.1	Very high	97.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-125.8	104.9	-179.4	-53.2	173.7	0	0	0	108.4	V759 L761 A775 Q777 I785 I865	V759-I779 HydrophobicContact CB-CD1 3.83Å; V759-I779 HydrophobicContact CB-CG1 4.26Å; V759-I779 HydrophobicContact CG1-CD1 3.94Å; V759-I779 HydrophobicContact CG1-CG1 3.97Å; V759-I779 HydrophobicContact CG1-CG2 3.95Å; V759-I779 HydrophobicContact CG2-CD1 4.11Å; L761-I779 HydrophobicContact CD2-CD1 4.47Å; A775-I779 HydrophobicContact CB-CD1 3.65Å; A775-I779 HydrophobicContact CB-CG1 4.25Å; Q777-I779 HydrophobicContact CG-CG1 4.03Å; I779-I785 HydrophobicContact CD1-CD1 4.2Å; I779-I785 HydrophobicContact CG2-CD1 3.59Å; I779-I865 HydrophobicContact CB-CB 4.29Å; I779-I865 PolarHBondContact N-O 3.13Å; I779-I865 PolarHBondContact O-N 3.07Å
780	P	97.9	Very high	97.6	Very high	48 Å²	48	21.9 Å²	21.9	31%	0.312	12%	0.116	S	C	.	.			trans	-63.8	155.7	179.1	-25.3	36.4	0	0	0	113.1	S783 S861 D864	P780-S783 WeakPolarHBondContact O-CB 3.47Å; P780-S783 PolarHBondContact O-N 3Å; P780-S783 PolarHBondContact O-OG 3.49Å; P780-S861 PolarHBondContact O-OG 2.98Å; P780-D864 VanDerWaalsContact CA-OD1 3.25Å; P780-D864 WeakPolarHBondContact CA-OD1 3Å
781	Q	97.2	Very high	97.7	Very high	34 Å²	34	20.9 Å²	20.9	16%	0.159	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.5	178.1	-166.1	-155.7	-92.7	0	0	112.6	R722 S783 S861 D864	R722-Q781 WeakPolarHBondContact CD-O 3.49Å; Q781-S783 PolarHBondContact O-N 3.44Å; Q781-S861 WeakPolarHBondContact CA-OG 3.46Å; Q781-D864 PolarHBondContact N-OD1 2.93Å
782	G	97.1	Very high	97.7	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.031	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	3.4	176.8	0	0	0	0	0	114	R722 L723 F860 S861	R722-G782 CarbonylContact C-O 3.57Å; R722-G782 WeakPolarHBondContact CA-O 3.01Å; L723-G782 PolarHBondContact N-O 3.39Å; G782-F860 WeakPolarHBondContact O-CD1 3.02Å; G782-S861 PolarHBondContact N-O 3.28Å; G782-S861 PolarHBondContact N-OG 3.41Å
783	S	98.2	Very high	97.6	Very high	13 Å²	13	20.3 Å²	20.3	9%	0.091	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-72.4	138.8	175.3	-56	0	0	0	0	110.5	R722 P780 Q781 I785 F860 S861	R722-S783 PolarHBondContact NE-OG 3.25Å; P780-S783 WeakPolarHBondContact O-CB 3.47Å; P780-S783 PolarHBondContact O-N 3Å; P780-S783 PolarHBondContact O-OG 3.49Å; Q781-S783 PolarHBondContact O-N 3.44Å; S783-I785 WeakPolarHBondContact O-CD1 3.44Å; S783-F860 WeakPolarHBondContact O-CA 3.41Å; S783-S861 PolarHBondContact N-OG 2.85Å; S783-S861 PolarHBondContact O-N 3.43Å
784	F	98.4	Very high	97.3	Very high	16 Å²	16	22.2 Å²	22.2	7%	0.07	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.2	168.4	175.8	-121.8	0	0	0	110.3	V752 V753 C786 A858 F859 F860	V752-F784 HydrophobicContact CG1-CB 3.84Å; V752-F784 HydrophobicContact CG1-CG 4.5Å; V753-F784 HydrophobicContact CB-CE2 4.43Å; V753-F784 HydrophobicContact CB-CZ 4.4Å; V753-F784 HydrophobicContact CG1-CE1 4.45Å; V753-F784 HydrophobicContact CG1-CE2 3.93Å; V753-F784 HydrophobicContact CG1-CZ 3.81Å; V753-F784 HydrophobicContact CG2-CD2 4.05Å; V753-F784 HydrophobicContact CG2-CE2 4.1Å; V753-F784 HydrophobicContact CG2-CG 4.46Å; F784-C786 VanDerWaalsContact CE2-C 3.47Å; F784-C786 VanDerWaalsContact CE2-O 3.26Å; F784-C786 WeakPolarHBondContact CE2-O 3.41Å; F784-A858 HydrophobicContact CD2-CB 4.15Å; F784-A858 HydrophobicContact CE2-CB 3.76Å; F784-F859 WeakPolarHBondContact CD2-O 3.22Å; F784-F860 HydrophobicContact CB-CD1 4.01Å; F784-F860 HydrophobicContact CB-CE1 3.63Å; F784-F860 HydrophobicContact CB-CZ 4.23Å; F784-F860 HydrophobicContact CD2-CE1 4.28Å; F784-F860 HydrophobicContact CD2-CE2 4.37Å; F784-F860 HydrophobicContact CD2-CZ 4.11Å; F784-F860 HydrophobicContact CG-CE1 4.38Å
785	I	98.2	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-67.6	-173	-51.2	-58	0	0	0	110.5	V759 L761 I779 S783 L840 F859 L871	V759-I785 HydrophobicContact CG2-CD1 4.38Å; V759-I785 HydrophobicContact CG2-CG2 4.16Å; L761-I785 HydrophobicContact CD1-CG2 4.26Å; L761-I785 HydrophobicContact CD2-CG2 4.3Å; I779-I785 HydrophobicContact CD1-CD1 4.2Å; I779-I785 HydrophobicContact CG2-CD1 3.59Å; S783-I785 WeakPolarHBondContact O-CD1 3.44Å; I785-L840 HydrophobicContact CB-CD2 4.38Å; I785-L840 HydrophobicContact CG1-CD2 3.69Å; I785-L840 HydrophobicContact CG2-CD2 4.39Å; I785-F859 HydrophobicContact CB-CB 4.38Å; I785-F859 PolarHBondContact N-O 2.92Å; I785-L871 HydrophobicContact CG2-CD1 3.82Å
786	C	98.1	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	170.5	176.9	60.2	0	0	0	0	108.8	I757 F784 I828 F859	I757-C786 HydrophobicContact CD1-CB 3.72Å; I757-C786 HydrophobicContact CG1-CB 3.97Å; F784-C786 VanDerWaalsContact CE2-C 3.47Å; F784-C786 VanDerWaalsContact CE2-O 3.26Å; F784-C786 WeakPolarHBondContact CE2-O 3.41Å; C786-I828 HydrophobicContact CB-CG2 4.1Å; C786-F859 WeakPolarHBondContact O-CB 3.35Å; C786-F859 PolarHBondContact O-N 3.43Å
787	E	98.3	Very high	96.3	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	147.1	172.1	-173.1	-178.6	147.6	0	0	109.9	V789 N827 S829 R856 I857	E787-V789 HydrophobicContact CB-CG2 3.91Å; E787-V789 HydrophobicContact CG-CG2 3.91Å; E787-V789 PolarHBondContact O-N 3.39Å; E787-N827 PolarHBondContact O-ND2 3.43Å; E787-N827 PolarHBondContact O-OD1 3.11Å; E787-S829 WeakPolarHBondContact O-CB 3.18Å; E787-R856 VanDerWaalsContact CD-NE 3.25Å; E787-R856 VanDerWaalsContact OE1-CB 3.27Å; E787-R856 WeakPolarHBondContact OE1-CB 3.3Å; E787-R856 VanDerWaalsContact OE1-CG 3.25Å; E787-R856 WeakPolarHBondContact OE1-CG 3.4Å; E787-R856 IonicContact OE1-CZ 3.73Å; E787-R856 IonicContact OE1-NE 3.87Å; E787-R856 PolarHBondContact OE1-NE 2.95Å; E787-R856 IonicContact OE1-NH2 2.7Å; E787-R856 PolarHBondContact OE1-NH2 3.23Å; E787-R856 IonicContact OE2-CZ 2.78Å; E787-R856 VanDerWaalsContact OE2-CZ 3.25Å; E787-R856 IonicContact OE2-NE 2.9Å; E787-R856 PolarHBondContact OE2-NE 3.41Å; E787-R856 IonicContact OE2-NH2 3.68Å; E787-R856 PolarHBondContact OE2-NH2 2.61Å; E787-I857 CarbonylContact C-O 3.52Å; E787-I857 VanDerWaalsContact CA-O 3.29Å; E787-I857 WeakPolarHBondContact CA-O 3.39Å; E787-I857 VanDerWaalsContact CG-O 3.28Å; E787-I857 WeakPolarHBondContact CG-O 3.43Å
788	Y	98.3	Very high	96.1	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.043	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.1	165.6	-161	-78	0	0	0	109.3	Y806 F808 I820 A822 S829 I857 F859 F873	Y788-Y806 PolarHBondContact OH-O 3.21Å; Y788-F808 HydrophobicContact CD1-CB 3.73Å; Y788-F808 HydrophobicContact CD1-CD2 4.45Å; Y788-F808 HydrophobicContact CD1-CG 4.27Å; Y788-F808 AromaticContact CD2-CD2 3.98Å; Y788-F808 HydrophobicContact CD2-CD2 3.98Å; Y788-F808 HydrophobicContact CE1-CB 3.58Å; Y788-F808 HydrophobicContact CE1-CG 4.5Å; Y788-F808 HydrophobicContact CE2-CB 4.44Å; Y788-F808 HydrophobicContact CE2-CD2 4.25Å; Y788-F808 HydrophobicContact CG-CB 4.24Å; Y788-F808 HydrophobicContact CG-CD2 4.09Å; Y788-F808 HydrophobicContact CG-CG 4.33Å; Y788-I820 HydrophobicContact CD1-CB 4.16Å; Y788-I820 HydrophobicContact CD1-CD1 4.45Å; Y788-I820 HydrophobicContact CD1-CG2 3.92Å; Y788-I820 HydrophobicContact CE1-CB 4.29Å; Y788-I820 HydrophobicContact CE1-CG2 4.07Å; Y788-I820 WeakPolarHBondContact O-CD1 3.35Å; Y788-A822 HydrophobicContact CE1-CB 3.78Å; Y788-S829 WeakPolarHBondContact CA-OG 3.35Å; Y788-I857 PolarHBondContact N-O 3.32Å; Y788-F859 AromaticContact CD2-CE2 3.82Å; Y788-F859 HydrophobicContact CD2-CE2 3.82Å; Y788-F859 AromaticContact CD2-CZ 3.92Å; Y788-F859 HydrophobicContact CD2-CZ 3.92Å; Y788-F859 HydrophobicContact CG-CE2 4.33Å; Y788-F873 HydrophobicContact CD2-CZ 4.41Å; Y788-F873 HydrophobicContact CE2-CZ 4.18Å
789	V	98.4	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.			trans	-121.9	138.1	-171.4	170.6	0	0	0	0	111.4	V674 E676 N677 E787 G826 N827 S829	V674-V789 HydrophobicContact CG2-CG1 4.12Å; E676-V789 VanDerWaalsContact C-CG1 3.41Å; N677-V789 WeakPolarHBondContact OD1-CA 3.24Å; E787-V789 HydrophobicContact CB-CG2 3.91Å; E787-V789 HydrophobicContact CG-CG2 3.91Å; E787-V789 PolarHBondContact O-N 3.39Å; V789-G826 WeakPolarHBondContact O-CA 3.49Å; V789-N827 HydrophobicContact CB-CB 3.96Å; V789-N827 HydrophobicContact CG1-CB 4.35Å; V789-N827 WeakPolarHBondContact CG2-ND2 3.33Å; V789-N827 PolarHBondContact O-N 2.68Å; V789-S829 PolarHBondContact N-OG 3.23Å
790	G	97.9	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-151.8	174.6	0	0	0	0	0	114.8	N677 C678 I820 Y825	N677-G790 WeakPolarHBondContact CA-O 3.47Å; N677-G790 PolarHBondContact OD1-N 3.41Å; N677-G790 PolarHBondContact OD1-O 2.92Å; C678-G790 PolarHBondContact N-O 3.39Å; G790-I820 VanDerWaalsContact N-CG2 3.3Å; G790-Y825 WeakPolarHBondContact CA-O 3.17Å
791	E	97.9	Very high	95.2	Very high	5 Å²	5	30 Å²	30	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.3	177.3	-171	-174.4	161.6	0	0	110.9	T680 I793 R801 I820 D821 Y825	T680-E791 WeakPolarHBondContact CB-OE1 3.3Å; T680-E791 VanDerWaalsContact CG2-CD 3.48Å; T680-E791 HydrophobicContact CG2-CG 3.79Å; T680-E791 WeakPolarHBondContact CG2-OE1 3.41Å; T680-E791 PolarHBondContact OG1-OE1 2.84Å; E791-I793 HydrophobicContact CG-CG2 3.87Å; E791-R801 IonicContact OE1-CZ 2.96Å; E791-R801 IonicContact OE1-NH1 3.49Å; E791-R801 PolarHBondContact OE1-NH1 3.5Å; E791-R801 IonicContact OE1-NH2 2.75Å; E791-R801 PolarHBondContact OE1-NH2 2.92Å; E791-R801 IonicContact OE2-CZ 3.52Å; E791-R801 IonicContact OE2-NH1 2.81Å; E791-R801 PolarHBondContact OE2-NH1 3.27Å; E791-R801 IonicContact OE2-NH2 2.65Å; E791-I820 CarbonylContact O-C 3.6Å; E791-I820 WeakPolarHBondContact O-CA 3.49Å; E791-D821 HydrophobicContact CB-CB 4.36Å; E791-D821 WeakPolarHBondContact CB-O 3.26Å; E791-D821 PolarHBondContact N-O 2.77Å; E791-D821 PolarHBondContact O-N 3.19Å; E791-Y825 HydrophobicContact CB-CD2 4.4Å
792	L	96.6	Very high	94.8	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.2	172.7	-69.2	172	0	0	0	110.3	N677 C678 E679 M683 I685 L810 I820 F854	N677-L792 HydrophobicContact CB-CD1 4.15Å; N677-L792 HydrophobicContact CB-CG 4.15Å; C678-L792 PolarHBondContact O-N 2.99Å; E679-L792 HydrophobicContact CG-CD1 4.39Å; M683-L792 WeakPolarHBondContact CE-O 3.49Å; M683-L792 HydrophobicContact CG-CB 3.96Å; M683-L792 HydrophobicContact SD-CB 4.43Å; I685-L792 HydrophobicContact CD1-CD1 3.94Å; L792-L810 HydrophobicContact CD2-CD1 4.13Å; L792-I820 HydrophobicContact CD2-CG1 4Å; L792-F854 HydrophobicContact CD1-CD1 4.36Å; L792-F854 HydrophobicContact CD2-CD1 4.31Å
793	I	94.9	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.1	179	63.8	173.6	0	0	0	111.2	E791 E797 A798 L807 Y818 C819 D821	E791-I793 HydrophobicContact CG-CG2 3.87Å; I793-E797 HydrophobicContact CB-CB 4.16Å; I793-E797 HydrophobicContact CB-CG 3.83Å; I793-E797 HydrophobicContact CD1-CG 4.27Å; I793-E797 HydrophobicContact CG2-CG 3.9Å; I793-A798 HydrophobicContact CD1-CB 3.8Å; I793-L807 HydrophobicContact CD1-CD2 4.09Å; I793-Y818 CarbonylContact O-C 3.58Å; I793-Y818 WeakPolarHBondContact O-CA 3.41Å; I793-Y818 WeakPolarHBondContact O-CB 3.24Å; I793-C819 HydrophobicContact CG1-CB 4.07Å; I793-C819 PolarHBondContact N-O 3.5Å; I793-C819 PolarHBondContact O-N 2.93Å; I793-D821 HydrophobicContact CD1-CB 3.82Å; I793-D821 HydrophobicContact CG1-CB 4.35Å
794	S	92.8	Very high	94.1	Very high	40 Å²	40	41.6 Å²	41.6	28%	0.28	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	157.1	169.6	54.5	0	0	0	0	111.1	A796 E797 A798	S794-A796 PolarHBondContact O-N 3.25Å; S794-E797 WeakPolarHBondContact O-CA 3.47Å; S794-E797 WeakPolarHBondContact O-CB 3.37Å; S794-E797 PolarHBondContact O-N 2.95Å; S794-A798 PolarHBondContact O-N 3.29Å
795	D	88.4	Confident	93.9	Very high	52 Å²	52	42.8 Å²	42.8	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-54	-35.5	176.2	-172.5	59.8	0	0	0	111.9	E797 A798 D799 V817 R878	D795-E797 VanDerWaalsContact C-N 3.34Å; D795-E797 PolarHBondContact O-N 3.35Å; D795-A798 WeakPolarHBondContact O-CB 3.18Å; D795-A798 PolarHBondContact O-N 3.32Å; D795-D799 PolarHBondContact O-N 3.41Å; D795-V817 HydrophobicContact CB-CB 4.1Å; D795-V817 HydrophobicContact CB-CG1 4.36Å; D795-V817 PolarHBondContact N-O 3.17Å; D795-V817 VanDerWaalsContact N-O 3.11Å; D795-R878 IonicContact OD1-NH1 3.15Å; D795-R878 IonicContact OD1-NH2 3.77Å; D795-R878 PolarHBondContact OD1-NH2 3.22Å; D795-R878 VanDerWaalsContact OD1-NH2 3.14Å
796	A	89.3	Confident	93.8	Very high	75 Å²	75	45.7 Å²	45.7	62%	0.62	25%	0.248	S	C	*	.	H	α-helix	trans	-72.6	-16.2	175.4	0	0	0	0	0	115.6	S794	S794-A796 PolarHBondContact O-N 3.25Å
797	E	92.8	Very high	93.6	Very high	70 Å²	70	47.9 Å²	47.9	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-89.3	-34.2	167.6	169.2	66.5	-161.1	0	0	110.2	I793 S794 D795 V800 R801	I793-E797 HydrophobicContact CB-CB 4.16Å; I793-E797 HydrophobicContact CB-CG 3.83Å; I793-E797 HydrophobicContact CD1-CG 4.27Å; I793-E797 HydrophobicContact CG2-CG 3.9Å; S794-E797 WeakPolarHBondContact O-CA 3.47Å; S794-E797 WeakPolarHBondContact O-CB 3.37Å; S794-E797 PolarHBondContact O-N 2.95Å; D795-E797 VanDerWaalsContact C-N 3.34Å; D795-E797 PolarHBondContact O-N 3.35Å; E797-V800 WeakPolarHBondContact O-CG2 3.39Å; E797-V800 PolarHBondContact O-N 3.13Å; E797-R801 WeakPolarHBondContact O-CG 3.42Å; E797-R801 IonicContact OE1-CZ 2.77Å; E797-R801 VanDerWaalsContact OE1-CZ 3.26Å; E797-R801 IonicContact OE1-NE 3.64Å; E797-R801 PolarHBondContact OE1-NE 2.83Å; E797-R801 IonicContact OE1-NH2 3.78Å; E797-R801 PolarHBondContact OE1-NH2 2.94Å
798	A	91.4	Very high	93.4	Very high	9 Å²	9	49 Å²	49	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-42.3	173.9	0	0	0	0	0	111.9	I793 S794 D795 V800 R801 L807	I793-A798 HydrophobicContact CD1-CB 3.8Å; S794-A798 PolarHBondContact O-N 3.29Å; D795-A798 WeakPolarHBondContact O-CB 3.18Å; D795-A798 PolarHBondContact O-N 3.32Å; A798-V800 PolarHBondContact O-N 2.93Å; A798-R801 PolarHBondContact O-N 3.21Å; A798-R801 VanDerWaalsContact O-N 3.09Å; A798-L807 HydrophobicContact CB-CD1 4.13Å; A798-L807 HydrophobicContact CB-CD2 4.42Å
799	D	89.6	Confident	93.2	Very high	127 Å²	127	50.7 Å²	50.7	68%	0.679	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16	176.1	-98.3	-2.6	0	0	0	114.7	D795	D795-D799 PolarHBondContact O-N 3.41Å
800	V	93.6	Very high	92.8	Very high	105 Å²	105	50.7 Å²	50.7	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	2.1	178.2	-59.9	0	0	0	0	114.2	E797 A798	E797-V800 WeakPolarHBondContact O-CG2 3.39Å; E797-V800 PolarHBondContact O-N 3.13Å; A798-V800 PolarHBondContact O-N 2.93Å
801	R	92	Very high	91.8	Very high	49 Å²	49	56 Å²	56	19%	0.185	30%	0.302	C	S	.	.			trans	-79.9	132.9	174.1	-65.6	-87.7	167.5	130	-6.9	109.7	E791 E797 A798 D803 D821	E791-R801 IonicContact OE1-CZ 2.96Å; E791-R801 IonicContact OE1-NH1 3.49Å; E791-R801 PolarHBondContact OE1-NH1 3.5Å; E791-R801 IonicContact OE1-NH2 2.75Å; E791-R801 PolarHBondContact OE1-NH2 2.92Å; E791-R801 IonicContact OE2-CZ 3.52Å; E791-R801 IonicContact OE2-NH1 2.81Å; E791-R801 PolarHBondContact OE2-NH1 3.27Å; E791-R801 IonicContact OE2-NH2 2.65Å; E797-R801 WeakPolarHBondContact O-CG 3.42Å; E797-R801 IonicContact OE1-CZ 2.77Å; E797-R801 VanDerWaalsContact OE1-CZ 3.26Å; E797-R801 IonicContact OE1-NE 3.64Å; E797-R801 PolarHBondContact OE1-NE 2.83Å; E797-R801 IonicContact OE1-NH2 3.78Å; E797-R801 PolarHBondContact OE1-NH2 2.94Å; A798-R801 PolarHBondContact O-N 3.21Å; A798-R801 VanDerWaalsContact O-N 3.09Å; R801-D803 VanDerWaalsContact C-N 3.32Å; R801-D803 PolarHBondContact O-N 2.81Å; R801-D821 IonicContact CZ-OD2 3.57Å; R801-D821 IonicContact NH1-OD2 2.71Å; R801-D821 PolarHBondContact NH1-OD2 2.83Å
802	E	89.4	Confident	90.7	Very high	199 Å²	199	57.4 Å²	57.4	93%	0.93	31%	0.31	S	S	*	.	S	Bend	trans	-74	-19.2	179.7	-64.6	-172.3	164.3	0	0	113.9
803	D	89.5	Confident	89.2	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.251	34%	0.342	S	S	.	.			trans	-124.8	85.8	-176.9	-170.4	-2.4	0	0	0	111.2	R801 S805 R823	R801-D803 VanDerWaalsContact C-N 3.32Å; R801-D803 PolarHBondContact O-N 2.81Å; D803-S805 PolarHBondContact O-N 3.39Å; D803-S805 WeakPolarHBondContact OD1-CB 3.22Å; D803-S805 PolarHBondContact OD1-N 2.99Å; D803-S805 PolarHBondContact OD1-OG 3.18Å; D803-R823 WeakPolarHBondContact OD2-CD 3.38Å; D803-R823 IonicContact OD2-CZ 2.69Å; D803-R823 IonicContact OD2-NE 3.14Å; D803-R823 PolarHBondContact OD2-NE 3.02Å
804	D	90.8	Very high	87.4	Confident	48 Å²	48	71.3 Å²	71.3	26%	0.257	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-72.2	3.6	177.2	63.7	-54.4	0	0	0	113.9	Y806 L807 K883	D804-Y806 PolarHBondContact O-N 3.35Å; D804-L807 HydrophobicContact CB-CD1 3.95Å; D804-K883 IonicContact OD1-NZ 3.38Å; D804-K883 PolarHBondContact OD1-NZ 3.15Å; D804-K883 WeakPolarHBondContact OD2-CE 3.33Å; D804-K883 IonicContact OD2-NZ 3.01Å; D804-K883 PolarHBondContact OD2-NZ 3.3Å; D804-K883 VanDerWaalsContact OD2-NZ 3.11Å
805	S	92.8	Very high	86	Confident	41 Å²	41	72.5 Å²	72.5	29%	0.287	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-72.8	-12.2	-169.2	-44.6	0	0	0	0	115	D803 K883	D803-S805 PolarHBondContact O-N 3.39Å; D803-S805 WeakPolarHBondContact OD1-CB 3.22Å; D803-S805 PolarHBondContact OD1-N 2.99Å; D803-S805 PolarHBondContact OD1-OG 3.18Å; S805-K883 PolarHBondContact OG-NZ 2.76Å
806	Y	96.3	Very high	85.2	Confident	61 Å²	61	76 Å²	76	24%	0.239	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-125.9	25.4	-174.7	-62.5	-86.8	0	0	0	112.8	Y788 D804 A822 R823 R830	Y788-Y806 PolarHBondContact OH-O 3.21Å; D804-Y806 PolarHBondContact O-N 3.35Å; Y806-A822 PolarHBondContact O-N 3.14Å; Y806-R823 HydrophobicContact CD2-CB 4.26Å; Y806-R823 VanDerWaalsContact CD2-CD 3.4Å; Y806-R823 HydrophobicContact CD2-CG 4.46Å; Y806-R830 HydrophobicContact CD1-CB 4.1Å; Y806-R830 HydrophobicContact CE1-CB 4.45Å; Y806-R830 WeakPolarHBondContact CE1-O 3.37Å
807	L	94.8	Very high	85	Confident	46 Å²	46	74.5 Å²	74.5	24%	0.241	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.3	175.7	-63	176.9	0	0	0	111.7	I793 A798 D804 C819 I820 D821	I793-L807 HydrophobicContact CD1-CD2 4.09Å; A798-L807 HydrophobicContact CB-CD1 4.13Å; A798-L807 HydrophobicContact CB-CD2 4.42Å; D804-L807 HydrophobicContact CB-CD1 3.95Å; L807-C819 HydrophobicContact CD2-CB 4.48Å; L807-I820 CarbonylContact C-O 3.53Å; L807-I820 WeakPolarHBondContact CA-O 3.41Å; L807-D821 HydrophobicContact CD2-CB 3.73Å
808	F	94.9	Very high	85	Confident	34 Å²	34	72 Å²	72	15%	0.149	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122	164.7	-165.6	-69.5	0	0	0	109.9	Y788 L810 C819 I820 P842 I857 F859 F873	Y788-F808 HydrophobicContact CD1-CB 3.73Å; Y788-F808 HydrophobicContact CD1-CD2 4.45Å; Y788-F808 HydrophobicContact CD1-CG 4.27Å; Y788-F808 AromaticContact CD2-CD2 3.98Å; Y788-F808 HydrophobicContact CD2-CD2 3.98Å; Y788-F808 HydrophobicContact CE1-CB 3.58Å; Y788-F808 HydrophobicContact CE1-CG 4.5Å; Y788-F808 HydrophobicContact CE2-CB 4.44Å; Y788-F808 HydrophobicContact CE2-CD2 4.25Å; Y788-F808 HydrophobicContact CG-CB 4.24Å; Y788-F808 HydrophobicContact CG-CD2 4.09Å; Y788-F808 HydrophobicContact CG-CG 4.33Å; F808-L810 HydrophobicContact CD1-CD2 4.38Å; F808-C819 CarbonylContact O-C 3.55Å; F808-C819 WeakPolarHBondContact O-CA 3.42Å; F808-I820 HydrophobicContact CB-CB 4.44Å; F808-I820 PolarHBondContact N-O 2.67Å; F808-I820 PolarHBondContact O-N 3.13Å; F808-P842 HydrophobicContact CE2-CB 4.19Å; F808-P842 HydrophobicContact CE2-CG 4.48Å; F808-P842 HydrophobicContact CZ-CB 3.77Å; F808-P842 HydrophobicContact CZ-CG 4.08Å; F808-I857 HydrophobicContact CD1-CD1 4.37Å; F808-I857 HydrophobicContact CD1-CG1 3.95Å; F808-I857 HydrophobicContact CD1-CG2 4.27Å; F808-I857 HydrophobicContact CD2-CG2 4.46Å; F808-I857 HydrophobicContact CE1-CB 4.44Å; F808-I857 HydrophobicContact CE1-CD1 3.85Å; F808-I857 HydrophobicContact CE1-CG1 3.84Å; F808-I857 HydrophobicContact CE1-CG2 3.78Å; F808-I857 HydrophobicContact CE2-CG2 3.96Å; F808-I857 HydrophobicContact CZ-CG2 3.61Å; F808-F859 HydrophobicContact CE2-CZ 4.47Å; F808-F873 HydrophobicContact CD2-CE2 4.04Å; F808-F873 HydrophobicContact CD2-CZ 4.38Å; F808-F873 HydrophobicContact CE2-CD2 4.34Å; F808-F873 AromaticContact CE2-CE2 3.77Å; F808-F873 HydrophobicContact CE2-CE2 3.77Å; F808-F873 HydrophobicContact CE2-CZ 4.47Å
809	D	92.1	Very high	85.1	Confident	46 Å²	46	71.6 Å²	71.6	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.9	-176.2	-68.7	-31.2	0	0	0	113	D811 C819 R878	D809-D811 PolarHBondContact O-N 3.22Å; D809-C819 PolarHBondContact OD1-SG 3.33Å; D809-R878 IonicContact OD1-CZ 2.75Å; D809-R878 IonicContact OD1-NH1 2.7Å; D809-R878 PolarHBondContact OD1-NH1 3.4Å; D809-R878 WeakPolarHBondContact OD2-CD 3.48Å; D809-R878 IonicContact OD2-CZ 3.5Å; D809-R878 IonicContact OD2-NE 2.75Å; D809-R878 IonicContact OD2-NH1 3.51Å; D809-R878 PolarHBondContact OD2-NH1 2.93Å
810	L	90.6	Very high	85.4	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	66.4	175.3	-52.7	-178.1	0	0	0	110.4	L792 F808 N812 Y818 I820 P855 I857	L792-L810 HydrophobicContact CD2-CD1 4.13Å; F808-L810 HydrophobicContact CD1-CD2 4.38Å; L810-N812 PolarHBondContact O-N 3.33Å; L810-Y818 WeakPolarHBondContact CA-O 3.49Å; L810-Y818 WeakPolarHBondContact CB-O 3.41Å; L810-Y818 PolarHBondContact N-O 3.13Å; L810-I820 HydrophobicContact CD1-CG1 4Å; L810-I820 HydrophobicContact CD2-CD1 3.94Å; L810-I820 HydrophobicContact CD2-CG1 3.98Å; L810-I820 HydrophobicContact CG-CG1 4.2Å; L810-P855 HydrophobicContact CB-CG 4.37Å; L810-P855 HydrophobicContact CD2-CG 4.31Å; L810-I857 HydrophobicContact CD2-CD1 3.76Å; L810-I857 HydrophobicContact CD2-CG1 3.64Å
811	D	77.4	Confident	85.6	Confident	110 Å²	110	60.6 Å²	60.6	59%	0.588	32%	0.315	S	S	*	.			trans	-47.1	110.9	176.4	-85.9	-14.5	0	0	0	111.7	D809 R844	D809-D811 PolarHBondContact O-N 3.22Å; D811-R844 PolarHBondContact O-NH1 2.96Å
812	N	74.4	Confident	85.9	Confident	36 Å²	36	58.3 Å²	58.3	19%	0.193	31%	0.306	C	S	.	.			trans	-113.4	139.7	170.8	-179.5	19.2	0	0	0	109.1	L810 D814	L810-N812 PolarHBondContact O-N 3.33Å; N812-D814 VanDerWaalsContact C-N 3.3Å; N812-D814 PolarHBondContact ND2-O 3.49Å; N812-D814 PolarHBondContact OD1-N 3.21Å
813	K	65.4	Low	86.2	Confident	164 Å²	164	50.9 Å²	50.9	71%	0.713	27%	0.27	S	S	*	.	S	Bend	trans	-79.3	-16.1	-179.7	-66	-175.3	178.5	179.2	0	112.5	E731	E731-K813 IonicContact OE1-NZ 3.27Å
814	D	56.6	Low	86.6	Confident	138 Å²	138	54.4 Å²	54.4	74%	0.738	28%	0.281	S	S	*	.	S	Bend	trans	-128.3	86	-173.8	-65.1	-67.5	0	0	0	112.4	N812	N812-D814 VanDerWaalsContact C-N 3.3Å; N812-D814 PolarHBondContact ND2-O 3.49Å; N812-D814 PolarHBondContact OD1-N 3.21Å
815	G	63.1	Low	86.9	Confident	65 Å²	65	56.6 Å²	56.6	67%	0.67	29%	0.286	S	S	*	.	S	Bend	trans	113.5	-137.6	163.2	0	0	0	0	0	116.2
816	E	72.8	Confident	87.1	Confident	125 Å²	125	54.6 Å²	54.6	58%	0.584	27%	0.272	S	S	*	.			trans	-66.6	140.5	-178	-65.9	170.4	169.1	0	0	112.1	Y818	E816-Y818 HydrophobicContact CB-CD2 4.46Å; E816-Y818 HydrophobicContact CB-CE2 3.65Å; E816-Y818 PolarHBondContact OE2-OH 3.31Å
817	V	85.1	Confident	87.2	Confident	43 Å²	43	51.9 Å²	51.9	26%	0.261	26%	0.261	S	S	.	.			trans	-97.8	142.8	176.1	-177.5	0	0	0	0	110.1	D795	D795-V817 HydrophobicContact CB-CB 4.1Å; D795-V817 HydrophobicContact CB-CG1 4.36Å; D795-V817 PolarHBondContact N-O 3.17Å; D795-V817 VanDerWaalsContact N-O 3.11Å
818	Y	92.3	Very high	87.4	Confident	19 Å²	19	49.7 Å²	49.7	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.3	179.6	-65.6	-98.2	0	0	0	109.1	M683 I793 L810 E816 R853 F854	M683-Y818 HydrophobicContact SD-CD1 3.82Å; M683-Y818 HydrophobicContact SD-CE1 3.81Å; I793-Y818 CarbonylContact O-C 3.58Å; I793-Y818 WeakPolarHBondContact O-CA 3.41Å; I793-Y818 WeakPolarHBondContact O-CB 3.24Å; L810-Y818 WeakPolarHBondContact CA-O 3.49Å; L810-Y818 WeakPolarHBondContact CB-O 3.41Å; L810-Y818 PolarHBondContact N-O 3.13Å; E816-Y818 HydrophobicContact CB-CD2 4.46Å; E816-Y818 HydrophobicContact CB-CE2 3.65Å; E816-Y818 PolarHBondContact OE2-OH 3.31Å; Y818-R853 HydrophobicContact CD2-CB 4.2Å; Y818-R853 HydrophobicContact CE2-CB 4.15Å; Y818-R853 HydrophobicContact CE2-CG 4.38Å; Y818-R853 PolarHBondContact OH-NH1 3.32Å; Y818-F854 AromaticContact CD1-CE1 3.43Å; Y818-F854 HydrophobicContact CD1-CE1 3.43Å; Y818-F854 VanDerWaalsContact CD1-CE1 3.43Å; Y818-F854 AromaticContact CD1-CZ 3.73Å; Y818-F854 HydrophobicContact CD1-CZ 3.73Å; Y818-F854 HydrophobicContact CD2-CE1 4.25Å; Y818-F854 HydrophobicContact CD2-CZ 4.38Å; Y818-F854 AromaticContact CE1-CE1 3.8Å; Y818-F854 HydrophobicContact CE1-CE1 3.8Å; Y818-F854 AromaticContact CE1-CZ 3.57Å; Y818-F854 HydrophobicContact CE1-CZ 3.57Å; Y818-F854 HydrophobicContact CE2-CZ 4.28Å; Y818-F854 HydrophobicContact CG-CD1 4.46Å; Y818-F854 AromaticContact CG-CE1 3.68Å; Y818-F854 HydrophobicContact CG-CE1 3.68Å; Y818-F854 HydrophobicContact CG-CZ 4.14Å; Y818-F854 AromaticContact CZ-CZ 3.89Å
819	C	93.1	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.3	179.5	-55.1	0	0	0	0	109.8	I793 L807 F808 D809	I793-C819 HydrophobicContact CG1-CB 4.07Å; I793-C819 PolarHBondContact N-O 3.5Å; I793-C819 PolarHBondContact O-N 2.93Å; L807-C819 HydrophobicContact CD2-CB 4.48Å; F808-C819 CarbonylContact O-C 3.55Å; F808-C819 WeakPolarHBondContact O-CA 3.42Å; D809-C819 PolarHBondContact OD1-SG 3.33Å
820	I	97	Very high	87.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.9	163.2	-54.4	176.8	0	0	0	107.3	Y788 G790 E791 L792 L807 F808 L810 I857	Y788-I820 HydrophobicContact CD1-CB 4.16Å; Y788-I820 HydrophobicContact CD1-CD1 4.45Å; Y788-I820 HydrophobicContact CD1-CG2 3.92Å; Y788-I820 HydrophobicContact CE1-CB 4.29Å; Y788-I820 HydrophobicContact CE1-CG2 4.07Å; Y788-I820 WeakPolarHBondContact O-CD1 3.35Å; G790-I820 VanDerWaalsContact N-CG2 3.3Å; E791-I820 CarbonylContact O-C 3.6Å; E791-I820 WeakPolarHBondContact O-CA 3.49Å; L792-I820 HydrophobicContact CD2-CG1 4Å; L807-I820 CarbonylContact C-O 3.53Å; L807-I820 WeakPolarHBondContact CA-O 3.41Å; F808-I820 HydrophobicContact CB-CB 4.44Å; F808-I820 PolarHBondContact N-O 2.67Å; F808-I820 PolarHBondContact O-N 3.13Å; L810-I820 HydrophobicContact CD1-CG1 4Å; L810-I820 HydrophobicContact CD2-CD1 3.94Å; L810-I820 HydrophobicContact CD2-CG1 3.98Å; L810-I820 HydrophobicContact CG-CG1 4.2Å; I820-I857 HydrophobicContact CD1-CG1 4.04Å
821	D	97.3	Very high	88.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.3	171.4	180	8	0	0	0	110.1	E791 I793 R801 L807 R823	E791-D821 HydrophobicContact CB-CB 4.36Å; E791-D821 WeakPolarHBondContact CB-O 3.26Å; E791-D821 PolarHBondContact N-O 2.77Å; E791-D821 PolarHBondContact O-N 3.19Å; I793-D821 HydrophobicContact CD1-CB 3.82Å; I793-D821 HydrophobicContact CG1-CB 4.35Å; R801-D821 IonicContact CZ-OD2 3.57Å; R801-D821 IonicContact NH1-OD2 2.71Å; R801-D821 PolarHBondContact NH1-OD2 2.83Å; L807-D821 HydrophobicContact CD2-CB 3.73Å; D821-R823 VanDerWaalsContact C-N 3.33Å; D821-R823 WeakPolarHBondContact OD1-CA 3.44Å; D821-R823 WeakPolarHBondContact OD1-CB 3.3Å; D821-R823 PolarHBondContact OD1-N 2.88Å
822	A	98	Very high	89.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	9.2	176.5	0	0	0	0	0	113.7	Y788 Y806 Y825 R830	Y788-A822 HydrophobicContact CE1-CB 3.78Å; Y806-A822 PolarHBondContact O-N 3.14Å; A822-Y825 CarbonylContact C-O 3.6Å; A822-Y825 VanDerWaalsContact CA-O 3.3Å; A822-Y825 WeakPolarHBondContact CA-O 3.49Å; A822-R830 HydrophobicContact CB-CB 3.78Å; A822-R830 PolarHBondContact O-NE 2.88Å
823	R	96.6	Very high	90.3	Very high	43 Å²	43	40.8 Å²	40.8	16%	0.162	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-53.7	-174.5	178.9	61.1	-169.8	94.9	-20.7	112.6	D670 D803 Y806 D821 R830	D670-R823 PolarHBondContact O-NH1 3.41Å; D670-R823 IonicContact OD2-CZ 3.93Å; D670-R823 VanDerWaalsContact OD2-CZ 3.22Å; D670-R823 IonicContact OD2-NH1 2.71Å; D670-R823 PolarHBondContact OD2-NH1 3.24Å; D670-R823 IonicContact OD2-NH2 2.65Å; D670-R823 PolarHBondContact OD2-NH2 2.8Å; D803-R823 WeakPolarHBondContact OD2-CD 3.38Å; D803-R823 IonicContact OD2-CZ 2.69Å; D803-R823 IonicContact OD2-NE 3.14Å; D803-R823 PolarHBondContact OD2-NE 3.02Å; Y806-R823 HydrophobicContact CD2-CB 4.26Å; Y806-R823 VanDerWaalsContact CD2-CD 3.4Å; Y806-R823 HydrophobicContact CD2-CG 4.46Å; D821-R823 VanDerWaalsContact C-N 3.33Å; D821-R823 WeakPolarHBondContact OD1-CA 3.44Å; D821-R823 WeakPolarHBondContact OD1-CB 3.3Å; D821-R823 PolarHBondContact OD1-N 2.88Å; R823-R830 PolarHBondContact O-NH2 3.4Å
824	Y	96.2	Very high	91.8	Very high	122 Å²	122	33.4 Å²	33.4	48%	0.478	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-35	-175	-62.5	-70.6	0	0	0	112.8	Y671 K672	Y671-Y824 CarbonylContact C-O 3.58Å; Y671-Y824 WeakPolarHBondContact CA-O 3.2Å; K672-Y824 PolarHBondContact N-O 2.87Å
825	Y	97.8	Very high	93.7	Very high	93 Å²	93	28 Å²	28	37%	0.365	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.9	178.8	-57.6	-82.4	0	0	0	108.4	K672 V674 C678 T680 G790 E791 A822	K672-Y825 HydrophobicContact CB-CD1 3.94Å; K672-Y825 HydrophobicContact CB-CE1 4.21Å; K672-Y825 HydrophobicContact CG-CD1 4.26Å; K672-Y825 HydrophobicContact CG-CE1 4.49Å; K672-Y825 WeakPolarHBondContact O-CA 3.36Å; V674-Y825 HydrophobicContact CG1-CD1 4.42Å; C678-Y825 VanDerWaalsContact SG-CB 3.54Å; T680-Y825 HydrophobicContact CG2-CE2 4.33Å; G790-Y825 WeakPolarHBondContact CA-O 3.17Å; E791-Y825 HydrophobicContact CB-CD2 4.4Å; A822-Y825 CarbonylContact C-O 3.6Å; A822-Y825 VanDerWaalsContact CA-O 3.3Å; A822-Y825 WeakPolarHBondContact CA-O 3.49Å
826	G	97.8	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	169.6	172.5	0	0	0	0	0	113.9	K672 Y673 V674 V789	K672-G826 PolarHBondContact O-N 3.34Å; K672-G826 VanDerWaalsContact O-N 3.15Å; Y673-G826 VanDerWaalsContact CA-O 3.29Å; Y673-G826 WeakPolarHBondContact CA-O 3.23Å; V674-G826 PolarHBondContact N-O 2.7Å; V674-G826 CarbonylContact O-C 3.08Å; V789-G826 WeakPolarHBondContact O-CA 3.49Å
827	N	98.1	Very high	96.3	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	10%	0.097	C	C	.	.			trans	-93.3	-160.8	177.3	78.8	-3.9	0	0	0	111.2	Y673 V674 E787 V789 S829 R830	Y673-N827 HydrophobicContact CE1-CB 4.01Å; Y673-N827 HydrophobicContact CE2-CB 4.28Å; V674-N827 WeakPolarHBondContact O-CA 3.44Å; V674-N827 VanDerWaalsContact O-CB 3.23Å; V674-N827 WeakPolarHBondContact O-CB 3.29Å; V674-N827 PolarHBondContact O-N 2.69Å; E787-N827 PolarHBondContact O-ND2 3.43Å; E787-N827 PolarHBondContact O-OD1 3.11Å; V789-N827 HydrophobicContact CB-CB 3.96Å; V789-N827 HydrophobicContact CG1-CB 4.35Å; V789-N827 WeakPolarHBondContact CG2-ND2 3.33Å; V789-N827 PolarHBondContact O-N 2.68Å; N827-S829 PolarHBondContact O-N 3.24Å; N827-S829 VanDerWaalsContact O-N 3.16Å; N827-S829 WeakPolarHBondContact OD1-CB 3.44Å; N827-S829 PolarHBondContact OD1-N 3.02Å; N827-S829 PolarHBondContact OD1-OG 3.41Å; N827-R830 WeakPolarHBondContact O-CG 3.45Å
828	I	98.3	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-56.3	-23.4	175.1	-170.9	55.8	0	0	0	114.8	I656 Y673 I757 L761 L763 V773 C786 R830 F831	I656-I828 HydrophobicContact CD1-CB 3.87Å; I656-I828 HydrophobicContact CD1-CG1 4.12Å; I656-I828 HydrophobicContact CD1-CG2 3.92Å; I656-I828 HydrophobicContact CG2-CD1 3.74Å; I656-I828 HydrophobicContact CG2-CG1 4.01Å; Y673-I828 HydrophobicContact CE2-CB 4.41Å; Y673-I828 PolarHBondContact OH-N 2.67Å; I757-I828 HydrophobicContact CD1-CG2 3.95Å; L761-I828 HydrophobicContact CD1-CG2 4.37Å; L763-I828 HydrophobicContact CB-CD1 4.1Å; L763-I828 HydrophobicContact CD1-CD1 4.33Å; V773-I828 HydrophobicContact CG1-CD1 4.31Å; V773-I828 HydrophobicContact CG1-CG1 4.04Å; V773-I828 HydrophobicContact CG2-CD1 3.67Å; V773-I828 HydrophobicContact CG2-CG1 3.87Å; C786-I828 HydrophobicContact CB-CG2 4.1Å; I828-R830 PolarHBondContact O-N 3.46Å; I828-F831 HydrophobicContact CD1-CD2 4.3Å; I828-F831 PolarHBondContact O-N 2.93Å
829	S	98.3	Very high	97.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.2	-30.6	-175.2	73.9	0	0	0	0	113.8	E787 Y788 V789 N827 F831 I832	E787-S829 WeakPolarHBondContact O-CB 3.18Å; Y788-S829 WeakPolarHBondContact CA-OG 3.35Å; V789-S829 PolarHBondContact N-OG 3.23Å; N827-S829 PolarHBondContact O-N 3.24Å; N827-S829 VanDerWaalsContact O-N 3.16Å; N827-S829 WeakPolarHBondContact OD1-CB 3.44Å; N827-S829 PolarHBondContact OD1-N 3.02Å; N827-S829 PolarHBondContact OD1-OG 3.41Å; S829-F831 PolarHBondContact O-N 2.94Å; S829-I832 WeakPolarHBondContact O-CB 3.46Å; S829-I832 PolarHBondContact O-N 3Å
830	R	97.9	Very high	97.4	Very high	9 Å²	9	20.3 Å²	20.3	3%	0.034	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-62.1	-14.1	-178.5	78.3	-173.1	-63.3	-80.1	6.4	113.7	Y671 Y806 A822 R823 N827 I828	Y671-R830 VanDerWaalsContact CD2-CD 3.41Å; Y806-R830 HydrophobicContact CD1-CB 4.1Å; Y806-R830 HydrophobicContact CE1-CB 4.45Å; Y806-R830 WeakPolarHBondContact CE1-O 3.37Å; A822-R830 HydrophobicContact CB-CB 3.78Å; A822-R830 PolarHBondContact O-NE 2.88Å; R823-R830 PolarHBondContact O-NH2 3.4Å; N827-R830 WeakPolarHBondContact O-CG 3.45Å; I828-R830 PolarHBondContact O-N 3.46Å
831	F	98.3	Very high	97.4	Very high	9 Å²	9	21.2 Å²	21.2	4%	0.039	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-105.8	5.6	178.7	-56.7	-75.6	0	0	0	113.2	P668 Y671 L763 W771 G772 V773 I828 S829 N833	P668-F831 HydrophobicContact CB-CE1 3.95Å; P668-F831 HydrophobicContact CB-CZ 4.01Å; P668-F831 HydrophobicContact CG-CE1 3.62Å; P668-F831 HydrophobicContact CG-CZ 3.59Å; Y671-F831 HydrophobicContact CD1-CZ 4.17Å; Y671-F831 HydrophobicContact CE1-CE2 4.06Å; Y671-F831 AromaticContact CE1-CZ 3.59Å; Y671-F831 HydrophobicContact CE1-CZ 3.59Å; Y671-F831 HydrophobicContact CE2-CE2 4.23Å; Y671-F831 HydrophobicContact CE2-CZ 4.45Å; Y671-F831 AromaticContact CZ-CE2 3.71Å; Y671-F831 AromaticContact CZ-CZ 3.76Å; L763-F831 HydrophobicContact CD1-CB 3.45Å; L763-F831 VanDerWaalsContact CD1-CB 3.45Å; L763-F831 HydrophobicContact CD1-CD1 3.89Å; L763-F831 HydrophobicContact CD1-CD2 3.77Å; L763-F831 HydrophobicContact CD1-CE2 4.45Å; L763-F831 HydrophobicContact CD1-CG 3.44Å; L763-F831 VanDerWaalsContact CD1-CG 3.44Å; L763-F831 HydrophobicContact CD2-CD2 4.29Å; L763-F831 HydrophobicContact CD2-CE2 4.21Å; L763-F831 HydrophobicContact CD2-CZ 4.4Å; W771-F831 HydrophobicContact CB-CD1 3.76Å; W771-F831 HydrophobicContact CB-CE1 4.35Å; W771-F831 HydrophobicContact CG-CD1 4.41Å; G772-F831 CarbonylContact C-O 3.56Å; G772-F831 VanDerWaalsContact CA-O 3.31Å; G772-F831 WeakPolarHBondContact CA-O 3.46Å; V773-F831 HydrophobicContact CG2-CB 3.75Å; V773-F831 PolarHBondContact N-O 3.42Å; I828-F831 HydrophobicContact CD1-CD2 4.3Å; I828-F831 PolarHBondContact O-N 2.93Å; S829-F831 PolarHBondContact O-N 2.94Å; F831-N833 PolarHBondContact O-N 3.48Å
832	I	98.4	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.			trans	-83	108.5	178.7	-64	179.8	0	0	0	108.6	V773 S829 L840 F859 L871 F873 Y875	V773-I832 HydrophobicContact CB-CG1 4.07Å; V773-I832 HydrophobicContact CG2-CG1 3.84Å; S829-I832 WeakPolarHBondContact O-CB 3.46Å; S829-I832 PolarHBondContact O-N 3Å; I832-L840 HydrophobicContact CD1-CD1 4.04Å; I832-L840 HydrophobicContact CG2-CD1 3.85Å; I832-F859 HydrophobicContact CD1-CD2 4.36Å; I832-F859 HydrophobicContact CD1-CE2 4.43Å; I832-L871 HydrophobicContact CG2-CB 4.36Å; I832-L871 WeakPolarHBondContact CG2-O 3.17Å; I832-F873 HydrophobicContact CB-CD1 4.46Å; I832-F873 HydrophobicContact CB-CE1 4.33Å; I832-F873 HydrophobicContact CG2-CD1 3.72Å; I832-F873 HydrophobicContact CG2-CE1 4.08Å; I832-Y875 PolarHBondContact O-OH 3.41Å
833	N	97.9	Very high	97.4	Very high	22 Å²	22	23.4 Å²	23.4	12%	0.118	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	161.7	-174.2	-76.6	-47.9	0	0	0	114.2	M769 W771 G772 F831 E870 G872 F873	M769-N833 HydrophobicContact CE-CB 4.02Å; M769-N833 HydrophobicContact SD-CB 4.4Å; W771-N833 PolarHBondContact O-ND2 2.97Å; G772-N833 WeakPolarHBondContact CA-ND2 3.45Å; F831-N833 PolarHBondContact O-N 3.48Å; N833-E870 PolarHBondContact ND2-OE1 3.17Å; N833-G872 WeakPolarHBondContact O-CA 3.23Å; N833-F873 PolarHBondContact O-N 3.07Å
834	H	97.3	Very high	97.4	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.042	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.2	171.6	175	73.7	0	0	0	112	C836 F873 D874 Y875 W880 C889 H898	H834-C836 PolarHBondContact NE2-N 3.18Å; H834-C836 PolarHBondContact NE2-SG 2.88Å; H834-F873 WeakPolarHBondContact CA-O 3.4Å; H834-F873 PolarHBondContact ND1-O 2.8Å; H834-D874 IonicContact CE1-OD1 2.75Å; H834-D874 PolarHBondContact CE1-OD1 3.09Å; H834-D874 VanDerWaalsContact CE1-OD1 3.3Å; H834-D874 IonicContact ND1-OD1 2.96Å; H834-Y875 VanDerWaalsContact CA-CE1 3.49Å; H834-Y875 HydrophobicContact CB-CD1 3.65Å; H834-Y875 HydrophobicContact CB-CD2 4.03Å; H834-Y875 HydrophobicContact CB-CE1 3.7Å; H834-Y875 HydrophobicContact CB-CE2 4.1Å; H834-Y875 HydrophobicContact CB-CG 3.81Å; H834-Y875 VanDerWaalsContact N-CE1 3.32Å; H834-Y875 PolarHBondContact N-OH 3.47Å; H834-Y875 AromaticContact ND1-CD1 3.87Å; H834-Y875 AromaticContact ND1-CG 3.84Å; H834-Y875 PolarHBondContact ND1-N 2.76Å; H834-Y875 VanDerWaalsContact ND1-N 3.15Å; H834-W880 HydrophobicContact CB-CZ2 4.16Å; H834-W880 AromaticContact CD2-CE2 3.75Å; H834-W880 AromaticContact CD2-CZ2 3.48Å; H834-W880 VanDerWaalsContact CD2-CZ2 3.48Å; H834-W880 WeakPolarHBondContact CD2-CZ2 3.09Å; H834-W880 AromaticContact CD2-NE1 3.46Å; H834-W880 PolarHBondContact CD2-NE1 3.16Å; H834-W880 AromaticContact CE1-NE1 3.36Å; H834-W880 PolarHBondContact CE1-NE1 3.45Å; H834-W880 AromaticContact CG-CE2 4Å; H834-W880 AromaticContact CG-CZ2 3.8Å; H834-W880 AromaticContact CG-NE1 3.56Å; H834-W880 AromaticContact ND1-NE1 3.51Å; H834-W880 AromaticContact NE2-CE2 3.98Å; H834-W880 AromaticContact NE2-NE1 3.33Å; H834-W880 PolarHBondContact NE2-NE1 3.39Å; H834-C889 VanDerWaalsContact CD2-SG 3.6Å; H834-H898 AromaticContact NE2-CD2 3.86Å
835	L	96.8	Very high	97.4	Very high	23 Å²	23	18.9 Å²	18.9	12%	0.12	9%	0.093	C	C	.	.			trans	-128.9	123.8	169.1	-65.7	177.5	0	0	0	110.6	D837 P838 F873 C891	L835-D837 PolarHBondContact O-N 3.02Å; L835-P838 WeakPolarHBondContact O-CD 3.33Å; L835-F873 PolarHBondContact N-O 3.31Å; L835-F873 VanDerWaalsContact N-O 3.1Å; L835-C891 HydrophobicContact CD2-CB 3.69Å
836	C	95	Very high	97.4	Very high	12 Å²	12	14.6 Å²	14.6	8%	0.081	8%	0.076	C	C	.	.	S	Bend	trans	-67.3	-13.8	175.6	-59.3	0	0	0	0	114	H834	H834-C836 PolarHBondContact NE2-N 3.18Å; H834-C836 PolarHBondContact NE2-SG 2.88Å
837	D	95.5	Very high	97.3	Very high	45 Å²	45	14.9 Å²	14.9	24%	0.241	8%	0.077	C	C	.	.	S	Bend	trans	-122.9	81	165.6	-170.9	-23.8	0	0	0	108	L835 R863 K895	L835-D837 PolarHBondContact O-N 3.02Å; D837-R863 PolarHBondContact O-NH2 3.43Å; D837-R863 IonicContact OD1-CZ 3.34Å; D837-R863 IonicContact OD1-NH1 3.75Å; D837-R863 PolarHBondContact OD1-NH1 3.22Å; D837-R863 IonicContact OD1-NH2 3.21Å; D837-K895 HydrophobicContact CB-CD 4.48Å; D837-K895 WeakPolarHBondContact OD2-CD 3.39Å; D837-K895 WeakPolarHBondContact OD2-CE 3.31Å; D837-K895 IonicContact OD2-NZ 2.76Å; D837-K895 PolarHBondContact OD2-NZ 3.28Å
838	P	96.9	Very high	97.2	Very high	30 Å²	30	19.3 Å²	19.3	20%	0.195	10%	0.1	C	C	.	.			trans	-76.9	137.3	-164.6	30.2	-36.8	0	0	0	113.2	L835 S862 R863 G872 D874	L835-P838 WeakPolarHBondContact O-CD 3.33Å; P838-S862 PolarHBondContact O-OG 3.42Å; P838-R863 PolarHBondContact O-NH1 3Å; P838-R863 VanDerWaalsContact O-NH1 3.16Å; P838-G872 WeakPolarHBondContact CA-O 3.49Å; P838-G872 WeakPolarHBondContact CB-O 3.23Å; P838-D874 HydrophobicContact CG-CB 4.26Å
839	N	97.6	Very high	97	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	-88.9	-7.2	170.8	62.5	3.5	0	0	0	113.1	S861 S862 R863 I865 E870 L871 G872	N839-S861 CarbonylContact O-C 3.33Å; N839-S861 WeakPolarHBondContact O-CA 3.34Å; N839-S862 WeakPolarHBondContact CA-OG 3.22Å; N839-S862 PolarHBondContact O-N 3.4Å; N839-S862 PolarHBondContact O-OG 3.15Å; N839-R863 HydrophobicContact CB-CG 4.19Å; N839-I865 HydrophobicContact CB-CD1 3.91Å; N839-I865 HydrophobicContact CB-CG1 4.01Å; N839-E870 PolarHBondContact ND2-O 3.13Å; N839-L871 WeakPolarHBondContact OD1-CA 3.46Å; N839-G872 PolarHBondContact N-O 3.32Å; N839-G872 VanDerWaalsContact N-O 3.17Å; N839-G872 PolarHBondContact OD1-N 3.1Å; N839-G872 PolarHBondContact OD1-O 3.46Å
840	L	98.1	Very high	96.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.7	171.7	-60	-172.5	0	0	0	112.4	I785 I832 F859 F860 I865 L871 G872 F873	I785-L840 HydrophobicContact CB-CD2 4.38Å; I785-L840 HydrophobicContact CG1-CD2 3.69Å; I785-L840 HydrophobicContact CG2-CD2 4.39Å; I832-L840 HydrophobicContact CD1-CD1 4.04Å; I832-L840 HydrophobicContact CG2-CD1 3.85Å; L840-F859 HydrophobicContact CB-CD1 4.1Å; L840-F859 HydrophobicContact CD1-CB 4.17Å; L840-F859 HydrophobicContact CD1-CD1 4.29Å; L840-F859 HydrophobicContact CD1-CG 4.14Å; L840-F860 WeakPolarHBondContact CA-O 3.27Å; L840-I865 HydrophobicContact CD2-CD1 4.16Å; L840-L871 HydrophobicContact CD1-CB 4.06Å; L840-L871 HydrophobicContact CD2-CD2 4.37Å; L840-L871 HydrophobicContact CG-CB 4.45Å; L840-G872 PolarHBondContact N-O 3.28Å; L840-F873 HydrophobicContact CB-CB 4.15Å
841	I	97.4	Very high	96.7	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.097	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.3	165.6	49	170.9	0	0	0	110.4	F727 K729 F859 F860	F727-I841 HydrophobicContact CD1-CD1 4.44Å; F727-I841 HydrophobicContact CE1-CD1 4.24Å; K729-I841 HydrophobicContact CB-CD1 3.97Å; K729-I841 HydrophobicContact CG-CD1 3.92Å; I841-F859 WeakPolarHBondContact O-CA 3.42Å; I841-F860 HydrophobicContact CG1-CB 4.31Å; I841-F860 WeakPolarHBondContact CG1-O 3.35Å; I841-F860 PolarHBondContact N-O 3Å; I841-F860 PolarHBondContact O-N 3.42Å
842	P	97.3	Very high	96.4	Very high	44 Å²	44	26.1 Å²	26.1	29%	0.286	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.9	170.2	30.8	-32.3	0	0	0	110.7	F808 I857 F859	F808-P842 HydrophobicContact CE2-CB 4.19Å; F808-P842 HydrophobicContact CE2-CG 4.48Å; F808-P842 HydrophobicContact CZ-CB 3.77Å; F808-P842 HydrophobicContact CZ-CG 4.08Å; P842-I857 HydrophobicContact CB-CG2 3.86Å; P842-F859 HydrophobicContact CB-CD1 4.17Å; P842-F859 HydrophobicContact CB-CE1 3.88Å; P842-F859 HydrophobicContact CG-CE1 4.48Å
843	V	97.3	Very high	96.1	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.5	176.5	-176.1	0	0	0	0	109	F727 P732 I735 V845 A858 F860	F727-V843 HydrophobicContact CE1-CG2 4.15Å; F727-V843 HydrophobicContact CZ-CG1 4.05Å; F727-V843 HydrophobicContact CZ-CG2 4.04Å; P732-V843 HydrophobicContact CB-CG1 4.27Å; P732-V843 HydrophobicContact CB-CG2 4.11Å; P732-V843 HydrophobicContact CG-CG2 4.48Å; I735-V843 HydrophobicContact CD1-CG1 3.76Å; I735-V843 HydrophobicContact CG1-CG1 4.01Å; V843-V845 HydrophobicContact CG1-CG2 4.26Å; V843-A858 PolarHBondContact N-O 2.96Å; V843-A858 PolarHBondContact O-N 3.35Å; V843-F860 HydrophobicContact CB-CD2 4Å; V843-F860 HydrophobicContact CB-CE2 4.07Å; V843-F860 HydrophobicContact CG2-CD2 3.68Å; V843-F860 HydrophobicContact CG2-CE2 4.21Å
844	R	96.7	Very high	95.9	Very high	71 Å²	71	28.1 Å²	28.1	27%	0.268	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.3	177.9	-74.9	178.2	-69.9	-157.3	-9.3	110.4	L734 I735 D811 P855 I857	L734-R844 HydrophobicContact CD2-CB 3.64Å; L734-R844 HydrophobicContact CD2-CG 4.43Å; I735-R844 PolarHBondContact N-O 3.07Å; D811-R844 PolarHBondContact O-NH1 2.96Å; R844-P855 HydrophobicContact CB-CB 3.74Å; R844-P855 HydrophobicContact CB-CG 4.46Å; R844-P855 HydrophobicContact CG-CB 3.74Å; R844-P855 HydrophobicContact CG-CG 3.95Å; R844-I857 HydrophobicContact CG-CD1 3.73Å
845	V	97.4	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.6	-171.9	-170.7	0	0	0	0	111.6	I735 E737 V753 V843 M847 R856 A858	I735-V845 HydrophobicContact CB-CG1 4.34Å; I735-V845 HydrophobicContact CB-CG2 4.25Å; I735-V845 HydrophobicContact CG2-CG1 4.38Å; I735-V845 CarbonylContact O-C 3.56Å; I735-V845 WeakPolarHBondContact O-CA 3.28Å; E737-V845 HydrophobicContact CG-CG1 3.8Å; V753-V845 HydrophobicContact CB-CG1 4.4Å; V753-V845 HydrophobicContact CG2-CG1 4.24Å; V753-V845 HydrophobicContact CG2-CG2 4.26Å; V843-V845 HydrophobicContact CG1-CG2 4.26Å; V845-M847 HydrophobicContact CB-CE 4.38Å; V845-M847 HydrophobicContact CG1-CE 4.17Å; V845-M847 HydrophobicContact CG1-CG 4.18Å; V845-R856 PolarHBondContact N-O 3.49Å; V845-R856 PolarHBondContact O-N 3.49Å; V845-A858 HydrophobicContact CG2-CB 3.72Å
846	F	97.6	Very high	95.8	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.5	175.1	-61.6	-76.3	0	0	0	110.7	L734 I735 F736 E737 Q850 D851 L852 P855	L734-F846 HydrophobicContact CB-CE2 4.3Å; L734-F846 HydrophobicContact CD1-CE2 4.19Å; L734-F846 HydrophobicContact CD2-CE2 4.28Å; L734-F846 HydrophobicContact CG-CE2 4.48Å; I735-F846 PolarHBondContact O-N 2.87Å; F736-F846 HydrophobicContact CD1-CB 3.82Å; F736-F846 AromaticContact CD1-CD2 3.89Å; F736-F846 HydrophobicContact CD1-CD2 3.89Å; F736-F846 HydrophobicContact CD1-CG 4.14Å; F736-F846 HydrophobicContact CE1-CB 4.09Å; F736-F846 AromaticContact CE1-CD2 3.47Å; F736-F846 HydrophobicContact CE1-CD2 3.47Å; F736-F846 VanDerWaalsContact CE1-CD2 3.47Å; F736-F846 HydrophobicContact CE1-CE2 4.14Å; F736-F846 AromaticContact CE1-CG 3.9Å; F736-F846 HydrophobicContact CE1-CG 3.9Å; F736-F846 HydrophobicContact CE2-CD2 4.3Å; F736-F846 HydrophobicContact CG-CD2 4.47Å; F736-F846 AromaticContact CZ-CD2 3.7Å; F736-F846 HydrophobicContact CZ-CD2 3.7Å; F736-F846 HydrophobicContact CZ-CE2 4.01Å; E737-F846 PolarHBondContact N-O 3.22Å; F846-Q850 HydrophobicContact CB-CG 4.19Å; F846-D851 WeakPolarHBondContact CE1-O 3.22Å; F846-L852 HydrophobicContact CE1-CD2 4.18Å; F846-L852 HydrophobicContact CE2-CD2 3.86Å; F846-L852 HydrophobicContact CZ-CD2 3.64Å; F846-P855 HydrophobicContact CE1-CB 3.98Å; F846-P855 HydrophobicContact CE2-CB 4.45Å; F846-P855 HydrophobicContact CZ-CB 3.74Å
847	M	95.6	Very high	95.9	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.025	14%	0.139	C	C	.	.	S	Bend	trans	-137.3	-79.2	-169.3	-71.5	174	-95.5	0	0	112.4	E737 N739 V753 Q754 V845 H849 R856	E737-M847 HydrophobicContact CB-CG 4.12Å; E737-M847 HydrophobicContact CG-CG 4.17Å; N739-M847 WeakPolarHBondContact CB-O 3.28Å; V753-M847 HydrophobicContact CB-CE 4.13Å; V753-M847 HydrophobicContact CB-SD 3.95Å; V753-M847 HydrophobicContact CG1-CE 3.49Å; V753-M847 VanDerWaalsContact CG1-CE 3.49Å; V753-M847 HydrophobicContact CG1-SD 3.83Å; Q754-M847 HydrophobicContact CB-CG 4.24Å; Q754-M847 HydrophobicContact CB-SD 3.68Å; Q754-M847 PolarHBondContact N-SD 3.27Å; V845-M847 HydrophobicContact CB-CE 4.38Å; V845-M847 HydrophobicContact CG1-CE 4.17Å; V845-M847 HydrophobicContact CG1-CG 4.18Å; M847-H849 PolarHBondContact N-O 2.91Å; M847-R856 HydrophobicContact CE-CB 3.64Å; M847-R856 HydrophobicContact CE-CG 4.23Å
848	L	94.7	Very high	96.1	Very high	96 Å²	96	26.1 Å²	26.1	50%	0.503	13%	0.128	S	C	.	.	S	Bend	trans	-88.3	-24	-176.1	-61.2	179.3	0	0	0	113.2	M740	M740-L848 HydrophobicContact CG-CD2 4.33Å
849	H	95.4	Very high	96.1	Very high	27 Å²	27	24.7 Å²	24.7	13%	0.125	12%	0.119	C	C	.	.			trans	-129.2	165.6	169.4	54.2	100.6	0	0	0	109.2	I685 D686 M847 F854	I685-H849 HydrophobicContact CG2-CB 4.26Å; D686-H849 VanDerWaalsContact O-CB 3.31Å; D686-H849 WeakPolarHBondContact O-CB 3.39Å; M847-H849 PolarHBondContact N-O 2.91Å; H849-F854 PolarHBondContact CE1-O 3.13Å; H849-F854 VanDerWaalsContact CE1-O 3.26Å
850	Q	95.4	Very high	96.2	Very high	28 Å²	28	24.5 Å²	24.5	13%	0.131	12%	0.118	C	C	.	.			trans	-126.7	20.2	176.5	-71.6	171.3	-14.6	0	0	111.7	L692 Q693 F736 N739 F846 L852	L692-Q850 HydrophobicContact CD2-CB 4.29Å; L692-Q850 HydrophobicContact CD2-CG 3.88Å; Q693-Q850 PolarHBondContact O-NE2 3.16Å; F736-Q850 HydrophobicContact CD1-CG 4.1Å; F736-Q850 HydrophobicContact CE1-CG 4.34Å; N739-Q850 PolarHBondContact ND2-NE2 3.31Å; F846-Q850 HydrophobicContact CB-CG 4.19Å; Q850-L852 PolarHBondContact O-N 2.96Å; Q850-L852 VanDerWaalsContact O-N 3.14Å
851	D	93.9	Very high	96.2	Very high	19 Å²	19	24.5 Å²	24.5	10%	0.102	12%	0.118	C	C	.	.			trans	-63.1	107.8	171.2	-168.2	-27.3	0	0	0	110.1	I685 D686 F846 R853 F854	I685-D851 HydrophobicContact CG2-CB 4.09Å; D686-D851 HydrophobicContact CB-CB 4.17Å; D686-D851 PolarHBondContact N-OD2 2.79Å; F846-D851 WeakPolarHBondContact CE1-O 3.22Å; D851-R853 PolarHBondContact O-N 3.07Å; D851-R853 VanDerWaalsContact O-N 3.12Å; D851-R853 WeakPolarHBondContact OD1-CB 3.46Å; D851-R853 IonicContact OD1-CZ 3.77Å; D851-R853 PolarHBondContact OD1-N 3.16Å; D851-R853 IonicContact OD1-NE 2.98Å; D851-R853 PolarHBondContact OD1-NE 3.07Å; D851-R853 IonicContact OD1-NH2 3.68Å; D851-R853 IonicContact OD2-CZ 3.52Å; D851-R853 IonicContact OD2-NE 3.53Å; D851-R853 IonicContact OD2-NH2 2.7Å; D851-R853 PolarHBondContact OD2-NH2 3.45Å; D851-F854 HydrophobicContact CB-CD2 4.41Å; D851-F854 PolarHBondContact O-N 3.35Å
852	L	92.1	Very high	96.2	Very high	89 Å²	89	24.5 Å²	24.5	47%	0.466	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.2	-169.9	-59.8	-179.9	0	0	0	114	F736 F846 Q850 F854	F736-L852 HydrophobicContact CE1-CD2 4.33Å; F736-L852 HydrophobicContact CZ-CD2 4.13Å; F846-L852 HydrophobicContact CE1-CD2 4.18Å; F846-L852 HydrophobicContact CE2-CD2 3.86Å; F846-L852 HydrophobicContact CZ-CD2 3.64Å; Q850-L852 PolarHBondContact O-N 2.96Å; Q850-L852 VanDerWaalsContact O-N 3.14Å; L852-F854 VanDerWaalsContact C-N 3.27Å
853	R	91.6	Very high	96.1	Very high	60 Å²	60	26.7 Å²	26.7	23%	0.226	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.4	173	-60.1	176.5	-66	152.5	-2.2	112.8	N684 Y818 D851 P855	N684-R853 PolarHBondContact O-NH2 3.35Å; Y818-R853 HydrophobicContact CD2-CB 4.2Å; Y818-R853 HydrophobicContact CE2-CB 4.15Å; Y818-R853 HydrophobicContact CE2-CG 4.38Å; Y818-R853 PolarHBondContact OH-NH1 3.32Å; D851-R853 PolarHBondContact O-N 3.07Å; D851-R853 VanDerWaalsContact O-N 3.12Å; D851-R853 WeakPolarHBondContact OD1-CB 3.46Å; D851-R853 IonicContact OD1-CZ 3.77Å; D851-R853 PolarHBondContact OD1-N 3.16Å; D851-R853 IonicContact OD1-NE 2.98Å; D851-R853 PolarHBondContact OD1-NE 3.07Å; D851-R853 IonicContact OD1-NH2 3.68Å; D851-R853 IonicContact OD2-CZ 3.52Å; D851-R853 IonicContact OD2-NE 3.53Å; D851-R853 IonicContact OD2-NH2 2.7Å; D851-R853 PolarHBondContact OD2-NH2 3.45Å; R853-P855 WeakPolarHBondContact O-CD 3.4Å
854	F	94.1	Very high	96.1	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	15%	0.148	C	C	.	.	S	Bend	trans	-124.7	62.2	-171.7	-57.6	-71.2	0	0	0	112.3	M683 I685 L792 Y818 H849 D851 L852	M683-F854 HydrophobicContact CB-CE1 4.05Å; M683-F854 HydrophobicContact CB-CE2 4.37Å; M683-F854 HydrophobicContact CB-CZ 3.71Å; M683-F854 HydrophobicContact CG-CE1 4.19Å; M683-F854 HydrophobicContact CG-CZ 4.29Å; M683-F854 HydrophobicContact SD-CE1 4.03Å; M683-F854 HydrophobicContact SD-CZ 4.18Å; I685-F854 HydrophobicContact CB-CD2 4.23Å; I685-F854 HydrophobicContact CB-CE2 4.45Å; I685-F854 HydrophobicContact CD1-CD2 4.38Å; I685-F854 HydrophobicContact CD1-CG 4.34Å; I685-F854 HydrophobicContact CG1-CD2 3.75Å; I685-F854 HydrophobicContact CG1-CE2 3.84Å; I685-F854 HydrophobicContact CG1-CG 4.2Å; I685-F854 HydrophobicContact CG1-CZ 4.39Å; I685-F854 HydrophobicContact CG2-CD2 4.09Å; L792-F854 HydrophobicContact CD1-CD1 4.36Å; L792-F854 HydrophobicContact CD2-CD1 4.31Å; Y818-F854 AromaticContact CD1-CE1 3.43Å; Y818-F854 HydrophobicContact CD1-CE1 3.43Å; Y818-F854 VanDerWaalsContact CD1-CE1 3.43Å; Y818-F854 AromaticContact CD1-CZ 3.73Å; Y818-F854 HydrophobicContact CD1-CZ 3.73Å; Y818-F854 HydrophobicContact CD2-CE1 4.25Å; Y818-F854 HydrophobicContact CD2-CZ 4.38Å; Y818-F854 AromaticContact CE1-CE1 3.8Å; Y818-F854 HydrophobicContact CE1-CE1 3.8Å; Y818-F854 AromaticContact CE1-CZ 3.57Å; Y818-F854 HydrophobicContact CE1-CZ 3.57Å; Y818-F854 HydrophobicContact CE2-CZ 4.28Å; Y818-F854 HydrophobicContact CG-CD1 4.46Å; Y818-F854 AromaticContact CG-CE1 3.68Å; Y818-F854 HydrophobicContact CG-CE1 3.68Å; Y818-F854 HydrophobicContact CG-CZ 4.14Å; Y818-F854 AromaticContact CZ-CZ 3.89Å; H849-F854 PolarHBondContact CE1-O 3.13Å; H849-F854 VanDerWaalsContact CE1-O 3.26Å; D851-F854 HydrophobicContact CB-CD2 4.41Å; D851-F854 PolarHBondContact O-N 3.35Å; L852-F854 VanDerWaalsContact C-N 3.27Å
855	P	95.4	Very high	96.2	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.032	14%	0.135	C	C	.	.			trans	-66.9	136.3	170.8	29.1	-32.5	0	0	0	110.7	L810 R844 F846 R853	L810-P855 HydrophobicContact CB-CG 4.37Å; L810-P855 HydrophobicContact CD2-CG 4.31Å; R844-P855 HydrophobicContact CB-CB 3.74Å; R844-P855 HydrophobicContact CB-CG 4.46Å; R844-P855 HydrophobicContact CG-CB 3.74Å; R844-P855 HydrophobicContact CG-CG 3.95Å; F846-P855 HydrophobicContact CE1-CB 3.98Å; F846-P855 HydrophobicContact CE2-CB 4.45Å; F846-P855 HydrophobicContact CZ-CB 3.74Å; R853-P855 WeakPolarHBondContact O-CD 3.4Å
856	R	96.4	Very high	96.2	Very high	37 Å²	37	32.7 Å²	32.7	14%	0.14	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.8	169.3	-76.7	177.6	65.9	161.4	-0.7	109.1	E676 E787 V845 M847	E676-R856 IonicContact OE1-CZ 3.63Å; E676-R856 IonicContact OE1-NH1 3.26Å; E676-R856 PolarHBondContact OE1-NH1 3.08Å; E676-R856 IonicContact OE1-NH2 3.54Å; E787-R856 VanDerWaalsContact CD-NE 3.25Å; E787-R856 VanDerWaalsContact OE1-CB 3.27Å; E787-R856 WeakPolarHBondContact OE1-CB 3.3Å; E787-R856 VanDerWaalsContact OE1-CG 3.25Å; E787-R856 WeakPolarHBondContact OE1-CG 3.4Å; E787-R856 IonicContact OE1-CZ 3.73Å; E787-R856 IonicContact OE1-NE 3.87Å; E787-R856 PolarHBondContact OE1-NE 2.95Å; E787-R856 IonicContact OE1-NH2 2.7Å; E787-R856 PolarHBondContact OE1-NH2 3.23Å; E787-R856 IonicContact OE2-CZ 2.78Å; E787-R856 VanDerWaalsContact OE2-CZ 3.25Å; E787-R856 IonicContact OE2-NE 2.9Å; E787-R856 PolarHBondContact OE2-NE 3.41Å; E787-R856 IonicContact OE2-NH2 3.68Å; E787-R856 PolarHBondContact OE2-NH2 2.61Å; V845-R856 PolarHBondContact N-O 3.49Å; V845-R856 PolarHBondContact O-N 3.49Å; M847-R856 HydrophobicContact CE-CB 3.64Å; M847-R856 HydrophobicContact CE-CG 4.23Å
857	I	97.8	Very high	96.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	95.6	-167.9	-59.7	-58.9	0	0	0	110.3	E787 Y788 F808 L810 I820 P842 R844	E787-I857 CarbonylContact C-O 3.52Å; E787-I857 VanDerWaalsContact CA-O 3.29Å; E787-I857 WeakPolarHBondContact CA-O 3.39Å; E787-I857 VanDerWaalsContact CG-O 3.28Å; E787-I857 WeakPolarHBondContact CG-O 3.43Å; Y788-I857 PolarHBondContact N-O 3.32Å; F808-I857 HydrophobicContact CD1-CD1 4.37Å; F808-I857 HydrophobicContact CD1-CG1 3.95Å; F808-I857 HydrophobicContact CD1-CG2 4.27Å; F808-I857 HydrophobicContact CD2-CG2 4.46Å; F808-I857 HydrophobicContact CE1-CB 4.44Å; F808-I857 HydrophobicContact CE1-CD1 3.85Å; F808-I857 HydrophobicContact CE1-CG1 3.84Å; F808-I857 HydrophobicContact CE1-CG2 3.78Å; F808-I857 HydrophobicContact CE2-CG2 3.96Å; F808-I857 HydrophobicContact CZ-CG2 3.61Å; L810-I857 HydrophobicContact CD2-CD1 3.76Å; L810-I857 HydrophobicContact CD2-CG1 3.64Å; I820-I857 HydrophobicContact CD1-CG1 4.04Å; P842-I857 HydrophobicContact CB-CG2 3.86Å; R844-I857 HydrophobicContact CG-CD1 3.73Å
858	A	98.3	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	-177.5	0	0	0	0	0	111.9	V753 F784 V843 V845 F860	V753-A858 HydrophobicContact CG1-CB 3.93Å; V753-A858 HydrophobicContact CG2-CB 3.68Å; F784-A858 HydrophobicContact CD2-CB 4.15Å; F784-A858 HydrophobicContact CE2-CB 3.76Å; V843-A858 PolarHBondContact N-O 2.96Å; V843-A858 PolarHBondContact O-N 3.35Å; V845-A858 HydrophobicContact CG2-CB 3.72Å; A858-F860 HydrophobicContact CB-CD2 4.31Å; A858-F860 HydrophobicContact CB-CE2 3.64Å; A858-F860 HydrophobicContact CB-CZ 4.39Å
859	F	98.6	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132	172	-69.6	-67	0	0	0	112.1	F784 I785 C786 Y788 F808 I832 L840 I841 P842 F873	F784-F859 WeakPolarHBondContact CD2-O 3.22Å; I785-F859 HydrophobicContact CB-CB 4.38Å; I785-F859 PolarHBondContact N-O 2.92Å; C786-F859 WeakPolarHBondContact O-CB 3.35Å; C786-F859 PolarHBondContact O-N 3.43Å; Y788-F859 AromaticContact CD2-CE2 3.82Å; Y788-F859 HydrophobicContact CD2-CE2 3.82Å; Y788-F859 AromaticContact CD2-CZ 3.92Å; Y788-F859 HydrophobicContact CD2-CZ 3.92Å; Y788-F859 HydrophobicContact CG-CE2 4.33Å; F808-F859 HydrophobicContact CE2-CZ 4.47Å; I832-F859 HydrophobicContact CD1-CD2 4.36Å; I832-F859 HydrophobicContact CD1-CE2 4.43Å; L840-F859 HydrophobicContact CB-CD1 4.1Å; L840-F859 HydrophobicContact CD1-CB 4.17Å; L840-F859 HydrophobicContact CD1-CD1 4.29Å; L840-F859 HydrophobicContact CD1-CG 4.14Å; I841-F859 WeakPolarHBondContact O-CA 3.42Å; P842-F859 HydrophobicContact CB-CD1 4.17Å; P842-F859 HydrophobicContact CB-CE1 3.88Å; P842-F859 HydrophobicContact CG-CE1 4.48Å; F859-F873 HydrophobicContact CD1-CB 4.45Å; F859-F873 HydrophobicContact CE1-CB 3.83Å; F859-F873 AromaticContact CE1-CD1 3.75Å; F859-F873 HydrophobicContact CE1-CD1 3.75Å; F859-F873 AromaticContact CE1-CD2 3.87Å; F859-F873 HydrophobicContact CE1-CD2 3.87Å; F859-F873 HydrophobicContact CE1-CE1 4.26Å; F859-F873 HydrophobicContact CE1-CE2 4.38Å; F859-F873 AromaticContact CE1-CG 3.56Å; F859-F873 HydrophobicContact CE1-CG 3.56Å; F859-F873 AromaticContact CZ-CD1 3.66Å; F859-F873 HydrophobicContact CZ-CD1 3.66Å; F859-F873 HydrophobicContact CZ-CD2 4.11Å; F859-F873 AromaticContact CZ-CE1 3.72Å; F859-F873 HydrophobicContact CZ-CE1 3.72Å; F859-F873 HydrophobicContact CZ-CE2 4.17Å; F859-F873 AromaticContact CZ-CG 3.89Å; F859-F873 HydrophobicContact CZ-CG 3.89Å; F859-F873 AromaticContact CZ-CZ 3.99Å; F859-F873 HydrophobicContact CZ-CZ 3.99Å
860	F	98.5	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.1	172.5	-67.8	-94.1	0	0	0	111	Y717 L723 V753 G782 S783 F784 L840 I841 V843 A858 S862	Y717-F860 AromaticContact CE1-CE1 3.86Å; Y717-F860 HydrophobicContact CE1-CE1 3.86Å; Y717-F860 AromaticContact CE1-CZ 3.83Å; Y717-F860 HydrophobicContact CE1-CZ 3.83Å; L723-F860 HydrophobicContact CD1-CB 3.61Å; L723-F860 HydrophobicContact CD1-CD1 3.72Å; L723-F860 HydrophobicContact CD1-CD2 3.96Å; L723-F860 HydrophobicContact CD1-CE1 4.34Å; L723-F860 HydrophobicContact CD1-CG 3.49Å; L723-F860 VanDerWaalsContact CD1-CG 3.49Å; L723-F860 HydrophobicContact CD2-CD1 4.35Å; L723-F860 HydrophobicContact CD2-CE1 4.2Å; L723-F860 HydrophobicContact CD2-CZ 4.44Å; L723-F860 HydrophobicContact CG-CB 4.42Å; L723-F860 HydrophobicContact CG-CD1 3.65Å; L723-F860 HydrophobicContact CG-CE1 3.97Å; L723-F860 HydrophobicContact CG-CG 4Å; V753-F860 HydrophobicContact CG2-CE2 4.3Å; V753-F860 HydrophobicContact CG2-CZ 3.82Å; G782-F860 WeakPolarHBondContact O-CD1 3.02Å; S783-F860 WeakPolarHBondContact O-CA 3.41Å; F784-F860 HydrophobicContact CB-CD1 4.01Å; F784-F860 HydrophobicContact CB-CE1 3.63Å; F784-F860 HydrophobicContact CB-CZ 4.23Å; F784-F860 HydrophobicContact CD2-CE1 4.28Å; F784-F860 HydrophobicContact CD2-CE2 4.37Å; F784-F860 HydrophobicContact CD2-CZ 4.11Å; F784-F860 HydrophobicContact CG-CE1 4.38Å; L840-F860 WeakPolarHBondContact CA-O 3.27Å; I841-F860 HydrophobicContact CG1-CB 4.31Å; I841-F860 WeakPolarHBondContact CG1-O 3.35Å; I841-F860 PolarHBondContact N-O 3Å; I841-F860 PolarHBondContact O-N 3.42Å; V843-F860 HydrophobicContact CB-CD2 4Å; V843-F860 HydrophobicContact CB-CE2 4.07Å; V843-F860 HydrophobicContact CG2-CD2 3.68Å; V843-F860 HydrophobicContact CG2-CE2 4.21Å; A858-F860 HydrophobicContact CB-CD2 4.31Å; A858-F860 HydrophobicContact CB-CE2 3.64Å; A858-F860 HydrophobicContact CB-CZ 4.39Å; F860-S862 PolarHBondContact O-N 3.19Å
861	S	98.3	Very high	96.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122	177.9	53.1	0	0	0	0	112.2	P780 Q781 G782 S783 N839 R863	P780-S861 PolarHBondContact O-OG 2.98Å; Q781-S861 WeakPolarHBondContact CA-OG 3.46Å; G782-S861 PolarHBondContact N-O 3.28Å; G782-S861 PolarHBondContact N-OG 3.41Å; S783-S861 PolarHBondContact N-OG 2.85Å; S783-S861 PolarHBondContact O-N 3.43Å; N839-S861 CarbonylContact O-C 3.33Å; N839-S861 WeakPolarHBondContact O-CA 3.34Å; S861-R863 VanDerWaalsContact C-N 3.32Å; S861-R863 WeakPolarHBondContact CB-O 3.32Å
862	S	96.9	Very high	96.5	Very high	20 Å²	20	35 Å²	35	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-74	-24.7	-178.7	79.2	0	0	0	0	112.9	K729 P838 N839 F860	K729-S862 PolarHBondContact NZ-O 3.2Å; P838-S862 PolarHBondContact O-OG 3.42Å; N839-S862 WeakPolarHBondContact CA-OG 3.22Å; N839-S862 PolarHBondContact O-N 3.4Å; N839-S862 PolarHBondContact O-OG 3.15Å; F860-S862 PolarHBondContact O-N 3.19Å
863	R	96.5	Very high	96.8	Very high	89 Å²	89	31.3 Å²	31.3	34%	0.336	17%	0.166	S	C	.	.	S	Bend	trans	-145.8	175.5	179.1	54.5	176.1	170.7	-103.8	9.7	109.2	D837 P838 N839 S861	D837-R863 PolarHBondContact O-NH2 3.43Å; D837-R863 IonicContact OD1-CZ 3.34Å; D837-R863 IonicContact OD1-NH1 3.75Å; D837-R863 PolarHBondContact OD1-NH1 3.22Å; D837-R863 IonicContact OD1-NH2 3.21Å; P838-R863 PolarHBondContact O-NH1 3Å; P838-R863 VanDerWaalsContact O-NH1 3.16Å; N839-R863 HydrophobicContact CB-CG 4.19Å; S861-R863 VanDerWaalsContact C-N 3.32Å; S861-R863 WeakPolarHBondContact CB-O 3.32Å
864	D	97.7	Very high	97	Very high	103 Å²	103	30.8 Å²	30.8	55%	0.551	17%	0.168	S	C	*	.			trans	-64.5	138.3	166.3	-59.2	-44.3	0	0	0	110	P780 Q781	P780-D864 VanDerWaalsContact CA-OD1 3.25Å; P780-D864 WeakPolarHBondContact CA-OD1 3Å; Q781-D864 PolarHBondContact N-OD1 2.93Å
865	I	98.1	Very high	97	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-118.2	129.9	179.4	-53.8	177.5	0	0	0	107.6	A775 D778 I779 N839 L840 Q869 L871	A775-I865 HydrophobicContact CB-CG2 4.17Å; D778-I865 CarbonylContact C-O 3.57Å; D778-I865 WeakPolarHBondContact CA-O 3.47Å; I779-I865 HydrophobicContact CB-CB 4.29Å; I779-I865 PolarHBondContact N-O 3.13Å; I779-I865 PolarHBondContact O-N 3.07Å; N839-I865 HydrophobicContact CB-CD1 3.91Å; N839-I865 HydrophobicContact CB-CG1 4.01Å; L840-I865 HydrophobicContact CD2-CD1 4.16Å; I865-Q869 HydrophobicContact CG2-CB 3.93Å; I865-L871 HydrophobicContact CD1-CD2 3.69Å; I865-L871 HydrophobicContact CG2-CD2 4.05Å
866	L	97.1	Very high	96.9	Very high	95 Å²	95	34.6 Å²	34.6	50%	0.497	19%	0.19	S	C	.	.			trans	-90.5	152.2	180	-55.4	179.7	0	0	0	111.4	D778 G868 Q869	D778-L866 WeakPolarHBondContact OD1-CA 3.29Å; L866-G868 PolarHBondContact O-N 3.23Å; L866-Q869 HydrophobicContact CB-CG 4.12Å; L866-Q869 VanDerWaalsContact O-CB 3.29Å; L866-Q869 WeakPolarHBondContact O-CB 3.08Å; L866-Q869 WeakPolarHBondContact O-CG 3.33Å; L866-Q869 PolarHBondContact O-N 3.35Å
867	S	96	Very high	96.5	Very high	68 Å²	68	37.2 Å²	37.2	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	133.6	173.2	-165.3	0	0	0	0	111.6	M776 Q777 D778	M776-S867 VanDerWaalsContact C-OG 3.32Å; Q777-S867 PolarHBondContact N-OG 2.77Å; D778-S867 PolarHBondContact OD1-N 3.24Å
868	G	93	Very high	96.1	Very high	43 Å²	43	42.7 Å²	42.7	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-10.7	-174.8	0	0	0	0	0	115.5	A775 L866	A775-G868 PolarHBondContact O-N 3.44Å; L866-G868 PolarHBondContact O-N 3.23Å
869	Q	96.6	Very high	95.8	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.36	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-74.4	137.7	178.5	-68.5	-177.2	-15.8	0	0	112.5	R774 A775 I865 L866	R774-Q869 VanDerWaalsContact CA-O 3.25Å; R774-Q869 WeakPolarHBondContact CA-O 3.43Å; R774-Q869 VanDerWaalsContact CB-O 3.29Å; R774-Q869 WeakPolarHBondContact CB-O 3.33Å; A775-Q869 PolarHBondContact N-O 3.5Å; I865-Q869 HydrophobicContact CG2-CB 3.93Å; L866-Q869 HydrophobicContact CB-CG 4.12Å; L866-Q869 VanDerWaalsContact O-CB 3.29Å; L866-Q869 WeakPolarHBondContact O-CB 3.08Å; L866-Q869 WeakPolarHBondContact O-CG 3.33Å; L866-Q869 PolarHBondContact O-N 3.35Å
870	E	97.5	Very high	95.6	Very high	40 Å²	40	44.6 Å²	44.6	19%	0.187	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-63.1	142.2	170.3	-165.6	164.6	-174.7	0	0	111	Y764 M769 N833 N839	Y764-E870 HydrophobicContact CE1-CG 4.28Å; Y764-E870 VanDerWaalsContact OH-CB 3.28Å; Y764-E870 WeakPolarHBondContact OH-CB 3.48Å; Y764-E870 VanDerWaalsContact OH-CG 3.25Å; Y764-E870 WeakPolarHBondContact OH-CG 3.28Å; Y764-E870 PolarHBondContact OH-OE2 2.88Å; Y764-E870 VanDerWaalsContact OH-OE2 3.04Å; M769-E870 WeakPolarHBondContact CE-OE1 3.31Å; M769-E870 WeakPolarHBondContact CE-OE2 3.46Å; N833-E870 PolarHBondContact ND2-OE1 3.17Å; N839-E870 PolarHBondContact ND2-O 3.13Å
871	L	98.4	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-95.5	138.2	174.3	-61.7	-174.1	0	0	0	110.2	L761 V773 I785 I832 N839 L840 I865	L761-L871 HydrophobicContact CD2-CD1 3.65Å; V773-L871 HydrophobicContact CG1-CD1 4.09Å; V773-L871 WeakPolarHBondContact O-CB 3.29Å; V773-L871 PolarHBondContact O-N 3.27Å; I785-L871 HydrophobicContact CG2-CD1 3.82Å; I832-L871 HydrophobicContact CG2-CB 4.36Å; I832-L871 WeakPolarHBondContact CG2-O 3.17Å; N839-L871 WeakPolarHBondContact OD1-CA 3.46Å; L840-L871 HydrophobicContact CD1-CB 4.06Å; L840-L871 HydrophobicContact CD2-CD2 4.37Å; L840-L871 HydrophobicContact CG-CB 4.45Å; I865-L871 HydrophobicContact CD1-CD2 3.69Å; I865-L871 HydrophobicContact CG2-CD2 4.05Å
872	G	97.9	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	150	175	0	0	0	0	0	114.9	N833 P838 N839 L840	N833-G872 WeakPolarHBondContact O-CA 3.23Å; P838-G872 WeakPolarHBondContact CA-O 3.49Å; P838-G872 WeakPolarHBondContact CB-O 3.23Å; N839-G872 PolarHBondContact N-O 3.32Å; N839-G872 VanDerWaalsContact N-O 3.17Å; N839-G872 PolarHBondContact OD1-N 3.1Å; N839-G872 PolarHBondContact OD1-O 3.46Å; L840-G872 PolarHBondContact N-O 3.28Å
873	F	97.7	Very high	94.5	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.044	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	165.2	176.8	66.4	-74	0	0	0	110.8	Y788 F808 I832 N833 H834 L835 L840 F859 Y875	Y788-F873 HydrophobicContact CD2-CZ 4.41Å; Y788-F873 HydrophobicContact CE2-CZ 4.18Å; F808-F873 HydrophobicContact CD2-CE2 4.04Å; F808-F873 HydrophobicContact CD2-CZ 4.38Å; F808-F873 HydrophobicContact CE2-CD2 4.34Å; F808-F873 AromaticContact CE2-CE2 3.77Å; F808-F873 HydrophobicContact CE2-CE2 3.77Å; F808-F873 HydrophobicContact CE2-CZ 4.47Å; I832-F873 HydrophobicContact CB-CD1 4.46Å; I832-F873 HydrophobicContact CB-CE1 4.33Å; I832-F873 HydrophobicContact CG2-CD1 3.72Å; I832-F873 HydrophobicContact CG2-CE1 4.08Å; N833-F873 PolarHBondContact O-N 3.07Å; H834-F873 WeakPolarHBondContact CA-O 3.4Å; H834-F873 PolarHBondContact ND1-O 2.8Å; L835-F873 PolarHBondContact N-O 3.31Å; L835-F873 VanDerWaalsContact N-O 3.1Å; L840-F873 HydrophobicContact CB-CB 4.15Å; F859-F873 HydrophobicContact CD1-CB 4.45Å; F859-F873 HydrophobicContact CE1-CB 3.83Å; F859-F873 AromaticContact CE1-CD1 3.75Å; F859-F873 HydrophobicContact CE1-CD1 3.75Å; F859-F873 AromaticContact CE1-CD2 3.87Å; F859-F873 HydrophobicContact CE1-CD2 3.87Å; F859-F873 HydrophobicContact CE1-CE1 4.26Å; F859-F873 HydrophobicContact CE1-CE2 4.38Å; F859-F873 AromaticContact CE1-CG 3.56Å; F859-F873 HydrophobicContact CE1-CG 3.56Å; F859-F873 AromaticContact CZ-CD1 3.66Å; F859-F873 HydrophobicContact CZ-CD1 3.66Å; F859-F873 HydrophobicContact CZ-CD2 4.11Å; F859-F873 AromaticContact CZ-CE1 3.72Å; F859-F873 HydrophobicContact CZ-CE1 3.72Å; F859-F873 HydrophobicContact CZ-CE2 4.17Å; F859-F873 AromaticContact CZ-CG 3.89Å; F859-F873 HydrophobicContact CZ-CG 3.89Å; F859-F873 AromaticContact CZ-CZ 3.99Å; F859-F873 HydrophobicContact CZ-CZ 3.99Å; F873-Y875 HydrophobicContact CD1-CD1 4.27Å; F873-Y875 AromaticContact CD1-CE1 3.99Å; F873-Y875 HydrophobicContact CD1-CE1 3.99Å; F873-Y875 HydrophobicContact CD2-CD1 4.01Å; F873-Y875 AromaticContact CE1-CD1 3.93Å; F873-Y875 HydrophobicContact CE1-CD1 3.93Å; F873-Y875 AromaticContact CE1-CE1 3.46Å; F873-Y875 HydrophobicContact CE1-CE1 3.46Å; F873-Y875 VanDerWaalsContact CE1-CE1 3.46Å; F873-Y875 AromaticContact CE2-CD1 3.64Å; F873-Y875 HydrophobicContact CE2-CD1 3.64Å; F873-Y875 HydrophobicContact CE2-CE1 4.04Å; F873-Y875 HydrophobicContact CE2-CG 4.46Å; F873-Y875 HydrophobicContact CG-CD1 4.3Å; F873-Y875 HydrophobicContact CG-CE1 4.48Å; F873-Y875 AromaticContact CZ-CD1 3.59Å; F873-Y875 HydrophobicContact CZ-CD1 3.59Å; F873-Y875 AromaticContact CZ-CE1 3.48Å; F873-Y875 HydrophobicContact CZ-CE1 3.48Å; F873-Y875 VanDerWaalsContact CZ-CE1 3.48Å
874	D	96.1	Very high	94.2	Very high	49 Å²	49	50.5 Å²	50.5	26%	0.262	27%	0.274	S	S	.	.			trans	-77.2	127.6	167.7	-164	-22.6	0	0	0	107.8	H834 P838 G876 K897	H834-D874 IonicContact CE1-OD1 2.75Å; H834-D874 PolarHBondContact CE1-OD1 3.09Å; H834-D874 VanDerWaalsContact CE1-OD1 3.3Å; H834-D874 IonicContact ND1-OD1 2.96Å; P838-D874 HydrophobicContact CG-CB 4.26Å; D874-G876 VanDerWaalsContact C-N 3.25Å; D874-G876 PolarHBondContact OD1-N 3.39Å; D874-K897 IonicContact OD2-NZ 2.91Å; D874-K897 PolarHBondContact OD2-NZ 2.98Å
875	Y	95.3	Very high	93.8	Very high	62 Å²	62	53.3 Å²	53.3	24%	0.243	28%	0.281	C	S	.	.			trans	-82.6	-9.1	-179	-79	22.1	0	0	0	111.2	I832 H834 F873 F879	I832-Y875 PolarHBondContact O-OH 3.41Å; H834-Y875 VanDerWaalsContact CA-CE1 3.49Å; H834-Y875 HydrophobicContact CB-CD1 3.65Å; H834-Y875 HydrophobicContact CB-CD2 4.03Å; H834-Y875 HydrophobicContact CB-CE1 3.7Å; H834-Y875 HydrophobicContact CB-CE2 4.1Å; H834-Y875 HydrophobicContact CB-CG 3.81Å; H834-Y875 VanDerWaalsContact N-CE1 3.32Å; H834-Y875 PolarHBondContact N-OH 3.47Å; H834-Y875 AromaticContact ND1-CD1 3.87Å; H834-Y875 AromaticContact ND1-CG 3.84Å; H834-Y875 PolarHBondContact ND1-N 2.76Å; H834-Y875 VanDerWaalsContact ND1-N 3.15Å; F873-Y875 HydrophobicContact CD1-CD1 4.27Å; F873-Y875 AromaticContact CD1-CE1 3.99Å; F873-Y875 HydrophobicContact CD1-CE1 3.99Å; F873-Y875 HydrophobicContact CD2-CD1 4.01Å; F873-Y875 AromaticContact CE1-CD1 3.93Å; F873-Y875 HydrophobicContact CE1-CD1 3.93Å; F873-Y875 AromaticContact CE1-CE1 3.46Å; F873-Y875 HydrophobicContact CE1-CE1 3.46Å; F873-Y875 VanDerWaalsContact CE1-CE1 3.46Å; F873-Y875 AromaticContact CE2-CD1 3.64Å; F873-Y875 HydrophobicContact CE2-CD1 3.64Å; F873-Y875 HydrophobicContact CE2-CE1 4.04Å; F873-Y875 HydrophobicContact CE2-CG 4.46Å; F873-Y875 HydrophobicContact CG-CD1 4.3Å; F873-Y875 HydrophobicContact CG-CE1 4.48Å; F873-Y875 AromaticContact CZ-CD1 3.59Å; F873-Y875 HydrophobicContact CZ-CD1 3.59Å; F873-Y875 AromaticContact CZ-CE1 3.48Å; F873-Y875 HydrophobicContact CZ-CE1 3.48Å; F873-Y875 VanDerWaalsContact CZ-CE1 3.48Å; Y875-F879 AromaticContact CD2-CD1 3.69Å; Y875-F879 HydrophobicContact CD2-CD1 3.69Å; Y875-F879 AromaticContact CD2-CD2 3.73Å; Y875-F879 HydrophobicContact CD2-CD2 3.73Å; Y875-F879 AromaticContact CD2-CE1 3.63Å; Y875-F879 HydrophobicContact CD2-CE1 3.63Å; Y875-F879 AromaticContact CD2-CE2 3.64Å; Y875-F879 HydrophobicContact CD2-CE2 3.64Å; Y875-F879 AromaticContact CD2-CG 3.74Å; Y875-F879 HydrophobicContact CD2-CG 3.74Å; Y875-F879 AromaticContact CD2-CZ 3.59Å; Y875-F879 HydrophobicContact CD2-CZ 3.59Å; Y875-F879 HydrophobicContact CE2-CD2 4.37Å; Y875-F879 HydrophobicContact CE2-CE1 4.12Å; Y875-F879 AromaticContact CE2-CE2 3.85Å; Y875-F879 HydrophobicContact CE2-CE2 3.85Å; Y875-F879 AromaticContact CE2-CZ 3.7Å; Y875-F879 HydrophobicContact CE2-CZ 3.7Å; Y875-F879 HydrophobicContact CG-CD1 4.45Å; Y875-F879 HydrophobicContact CG-CG 4.47Å
876	G	91.7	Very high	93.4	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	32%	0.316	S	S	.	.			trans	78.8	165.5	-176.3	0	0	0	0	0	113.5	D874 R878	D874-G876 VanDerWaalsContact C-N 3.25Å; D874-G876 PolarHBondContact OD1-N 3.39Å; G876-R878 PolarHBondContact O-N 3Å
877	D	89.5	Confident	93.2	Very high	93 Å²	93	62.5 Å²	62.5	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-72.5	-28.3	-172.5	-58.7	-61.9	0	0	0	112.7	F879 W880 D881 H898	D877-F879 VanDerWaalsContact C-N 3.29Å; D877-F879 PolarHBondContact O-N 3.43Å; D877-W880 PolarHBondContact O-N 3.29Å; D877-W880 VanDerWaalsContact O-N 3.07Å; D877-D881 WeakPolarHBondContact O-CB 3.48Å; D877-D881 PolarHBondContact O-N 3.27Å; D877-H898 IonicContact OD1-CE1 3.12Å
878	R	88.7	Confident	93.1	Very high	118 Å²	118	61.2 Å²	61.2	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-53.6	-44.4	176.1	-171.1	-172.6	-174.9	174.7	1.5	111.6	D795 D809 G876 I882	D795-R878 IonicContact OD1-NH1 3.15Å; D795-R878 IonicContact OD1-NH2 3.77Å; D795-R878 PolarHBondContact OD1-NH2 3.22Å; D795-R878 VanDerWaalsContact OD1-NH2 3.14Å; D809-R878 IonicContact OD1-CZ 2.75Å; D809-R878 IonicContact OD1-NH1 2.7Å; D809-R878 PolarHBondContact OD1-NH1 3.4Å; D809-R878 WeakPolarHBondContact OD2-CD 3.48Å; D809-R878 IonicContact OD2-CZ 3.5Å; D809-R878 IonicContact OD2-NE 2.75Å; D809-R878 IonicContact OD2-NH1 3.51Å; D809-R878 PolarHBondContact OD2-NH1 2.93Å; G876-R878 PolarHBondContact O-N 3Å; R878-I882 WeakPolarHBondContact O-CG1 3.35Å
879	F	92.6	Very high	93.2	Very high	31 Å²	31	59.5 Å²	59.5	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-49.2	176.2	178.8	-88.1	0	0	0	111.3	Y875 D877 I882 K883 F887	Y875-F879 AromaticContact CD2-CD1 3.69Å; Y875-F879 HydrophobicContact CD2-CD1 3.69Å; Y875-F879 AromaticContact CD2-CD2 3.73Å; Y875-F879 HydrophobicContact CD2-CD2 3.73Å; Y875-F879 AromaticContact CD2-CE1 3.63Å; Y875-F879 HydrophobicContact CD2-CE1 3.63Å; Y875-F879 AromaticContact CD2-CE2 3.64Å; Y875-F879 HydrophobicContact CD2-CE2 3.64Å; Y875-F879 AromaticContact CD2-CG 3.74Å; Y875-F879 HydrophobicContact CD2-CG 3.74Å; Y875-F879 AromaticContact CD2-CZ 3.59Å; Y875-F879 HydrophobicContact CD2-CZ 3.59Å; Y875-F879 HydrophobicContact CE2-CD2 4.37Å; Y875-F879 HydrophobicContact CE2-CE1 4.12Å; Y875-F879 AromaticContact CE2-CE2 3.85Å; Y875-F879 HydrophobicContact CE2-CE2 3.85Å; Y875-F879 AromaticContact CE2-CZ 3.7Å; Y875-F879 HydrophobicContact CE2-CZ 3.7Å; Y875-F879 HydrophobicContact CG-CD1 4.45Å; Y875-F879 HydrophobicContact CG-CG 4.47Å; D877-F879 VanDerWaalsContact C-N 3.29Å; D877-F879 PolarHBondContact O-N 3.43Å; F879-I882 PolarHBondContact O-N 3.14Å; F879-K883 HydrophobicContact CD1-CB 4.21Å; F879-K883 HydrophobicContact CD1-CG 4.02Å; F879-K883 HydrophobicContact CD2-CG 4.03Å; F879-K883 HydrophobicContact CE1-CB 3.94Å; F879-K883 HydrophobicContact CE1-CG 3.8Å; F879-K883 HydrophobicContact CE2-CG 3.82Å; F879-K883 HydrophobicContact CG-CG 4.14Å; F879-K883 HydrophobicContact CZ-CB 4.27Å; F879-K883 HydrophobicContact CZ-CG 3.71Å; F879-K883 WeakPolarHBondContact O-CB 3.38Å; F879-K883 WeakPolarHBondContact O-CG 3.44Å; F879-K883 PolarHBondContact O-N 2.96Å; F879-F887 HydrophobicContact CE1-CE2 4.45Å; F879-F887 HydrophobicContact CE1-CZ 4.23Å; F879-F887 HydrophobicContact CZ-CZ 4.08Å
880	W	93.2	Very high	93.1	Very high	9 Å²	9	59.9 Å²	59.9	3%	0.034	29%	0.286	C	S	.	.	H	α-helix	trans	-72.4	-31.5	-175.3	-76	111.8	0	0	0	113.5	H834 D877 I882 S884 F887 C889 H898	H834-W880 HydrophobicContact CB-CZ2 4.16Å; H834-W880 AromaticContact CD2-CE2 3.75Å; H834-W880 AromaticContact CD2-CZ2 3.48Å; H834-W880 VanDerWaalsContact CD2-CZ2 3.48Å; H834-W880 WeakPolarHBondContact CD2-CZ2 3.09Å; H834-W880 AromaticContact CD2-NE1 3.46Å; H834-W880 PolarHBondContact CD2-NE1 3.16Å; H834-W880 AromaticContact CE1-NE1 3.36Å; H834-W880 PolarHBondContact CE1-NE1 3.45Å; H834-W880 AromaticContact CG-CE2 4Å; H834-W880 AromaticContact CG-CZ2 3.8Å; H834-W880 AromaticContact CG-NE1 3.56Å; H834-W880 AromaticContact ND1-NE1 3.51Å; H834-W880 AromaticContact NE2-CE2 3.98Å; H834-W880 AromaticContact NE2-NE1 3.33Å; H834-W880 PolarHBondContact NE2-NE1 3.39Å; D877-W880 PolarHBondContact O-N 3.29Å; D877-W880 VanDerWaalsContact O-N 3.07Å; W880-I882 PolarHBondContact O-N 3.41Å; W880-S884 WeakPolarHBondContact O-CB 3.28Å; W880-S884 PolarHBondContact O-N 2.97Å; W880-S884 PolarHBondContact O-OG 3.27Å; W880-F887 HydrophobicContact CH2-CD2 4.1Å; W880-F887 AromaticContact CH2-CE2 3.68Å; W880-F887 HydrophobicContact CH2-CE2 3.68Å; W880-F887 AromaticContact CZ3-CD2 3.96Å; W880-F887 HydrophobicContact CZ3-CD2 3.96Å; W880-F887 AromaticContact CZ3-CE2 3.73Å; W880-F887 HydrophobicContact CZ3-CE2 3.73Å; W880-C889 HydrophobicContact CH2-CB 3.59Å; W880-C889 HydrophobicContact CZ2-CB 3.73Å; W880-C889 HydrophobicContact CZ3-CB 4.2Å; W880-H898 AromaticContact CD1-CD2 3.36Å; W880-H898 AromaticContact CD1-CE1 3.74Å; W880-H898 AromaticContact CD1-CG 3.68Å; W880-H898 AromaticContact CD1-ND1 3.9Å; W880-H898 AromaticContact CD1-NE2 3.46Å; W880-H898 HydrophobicContact CD2-CB 3.71Å; W880-H898 AromaticContact CD2-CG 3.78Å; W880-H898 AromaticContact CE2-CD2 3.98Å; W880-H898 HydrophobicContact CE3-CB 3.9Å; W880-H898 HydrophobicContact CG-CB 4Å; W880-H898 AromaticContact CG-CD2 3.73Å; W880-H898 AromaticContact CG-CE1 3.89Å; W880-H898 AromaticContact CG-CG 3.53Å; W880-H898 AromaticContact CG-ND1 3.64Å; W880-H898 AromaticContact CG-NE2 4Å; W880-H898 HydrophobicContact CZ3-CB 4.45Å; W880-H898 AromaticContact NE1-CD2 3.49Å; W880-H898 PolarHBondContact NE1-CD2 3.09Å; W880-H898 AromaticContact NE1-CG 3.98Å; W880-H898 AromaticContact NE1-NE2 3.97Å
881	D	90.3	Very high	92.7	Very high	111 Å²	111	59.1 Å²	59.1	59%	0.594	28%	0.284	S	S	*	.	H	α-helix	trans	-62.1	-29	172.7	-80	-21.1	0	0	0	112.4	D877 K885	D877-D881 WeakPolarHBondContact O-CB 3.48Å; D877-D881 PolarHBondContact O-N 3.27Å; D881-K885 WeakPolarHBondContact O-CE 3.49Å; D881-K885 PolarHBondContact O-NZ 2.9Å
882	I	88.4	Confident	92.2	Very high	71 Å²	71	62.7 Å²	62.7	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-85.2	-57.1	173.4	-60.4	169.8	0	0	0	110.1	R878 F879 W880	R878-I882 WeakPolarHBondContact O-CG1 3.35Å; F879-I882 PolarHBondContact O-N 3.14Å; W880-I882 PolarHBondContact O-N 3.41Å
883	K	92.3	Very high	91.8	Very high	14 Å²	14	64.3 Å²	64.3	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-78.3	-24.2	-166.3	-60.3	-62	-164.2	-178.3	0	115	D804 S805 F879 K885 Y886 F887	D804-K883 IonicContact OD1-NZ 3.38Å; D804-K883 PolarHBondContact OD1-NZ 3.15Å; D804-K883 WeakPolarHBondContact OD2-CE 3.33Å; D804-K883 IonicContact OD2-NZ 3.01Å; D804-K883 PolarHBondContact OD2-NZ 3.3Å; D804-K883 VanDerWaalsContact OD2-NZ 3.11Å; S805-K883 PolarHBondContact OG-NZ 2.76Å; F879-K883 HydrophobicContact CD1-CB 4.21Å; F879-K883 HydrophobicContact CD1-CG 4.02Å; F879-K883 HydrophobicContact CD2-CG 4.03Å; F879-K883 HydrophobicContact CE1-CB 3.94Å; F879-K883 HydrophobicContact CE1-CG 3.8Å; F879-K883 HydrophobicContact CE2-CG 3.82Å; F879-K883 HydrophobicContact CG-CG 4.14Å; F879-K883 HydrophobicContact CZ-CB 4.27Å; F879-K883 HydrophobicContact CZ-CG 3.71Å; F879-K883 WeakPolarHBondContact O-CB 3.38Å; F879-K883 WeakPolarHBondContact O-CG 3.44Å; F879-K883 PolarHBondContact O-N 2.96Å; K883-K885 PolarHBondContact O-N 3.49Å; K883-Y886 PolarHBondContact O-N 3.17Å; K883-F887 HydrophobicContact CB-CE1 4Å; K883-F887 HydrophobicContact CB-CE2 4.43Å; K883-F887 HydrophobicContact CB-CZ 3.82Å; K883-F887 HydrophobicContact CD-CE1 4.29Å; K883-F887 HydrophobicContact CG-CE1 4.43Å; K883-F887 HydrophobicContact CG-CZ 4.24Å; K883-F887 PolarHBondContact O-N 3.47Å; K883-F887 VanDerWaalsContact O-N 3.1Å
884	S	90	Very high	91.4	Very high	39 Å²	39	73.7 Å²	73.7	27%	0.273	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.6	179	57.6	0	0	0	0	114.6	W880 Y886 F887	W880-S884 WeakPolarHBondContact O-CB 3.28Å; W880-S884 PolarHBondContact O-N 2.97Å; W880-S884 PolarHBondContact O-OG 3.27Å; S884-Y886 VanDerWaalsContact C-N 3.29Å; S884-F887 VanDerWaalsContact CA-O 3.3Å; S884-F887 WeakPolarHBondContact CA-O 3.48Å
885	K	88.7	Confident	91.1	Very high	162 Å²	162	77.9 Å²	77.9	70%	0.704	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.4	176.6	-62.8	160	-173.6	144.4	0	113	D881 K883	D881-K885 WeakPolarHBondContact O-CE 3.49Å; D881-K885 PolarHBondContact O-NZ 2.9Å; K883-K885 PolarHBondContact O-N 3.49Å
886	Y	90.2	Very high	91	Very high	189 Å²	189	76 Å²	76	74%	0.741	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-40.1	-177.4	-57.8	-83	0	0	0	112.2	K883 S884	K883-Y886 PolarHBondContact O-N 3.17Å; S884-Y886 VanDerWaalsContact C-N 3.29Å
887	F	93.4	Very high	91	Very high	99 Å²	99	79.7 Å²	79.7	43%	0.434	40%	0.396	S	S	.	.			trans	-151.5	161	176.6	60.9	-93.7	0	0	0	111.8	F879 W880 K883 S884	F879-F887 HydrophobicContact CE1-CE2 4.45Å; F879-F887 HydrophobicContact CE1-CZ 4.23Å; F879-F887 HydrophobicContact CZ-CZ 4.08Å; W880-F887 HydrophobicContact CH2-CD2 4.1Å; W880-F887 AromaticContact CH2-CE2 3.68Å; W880-F887 HydrophobicContact CH2-CE2 3.68Å; W880-F887 AromaticContact CZ3-CD2 3.96Å; W880-F887 HydrophobicContact CZ3-CD2 3.96Å; W880-F887 AromaticContact CZ3-CE2 3.73Å; W880-F887 HydrophobicContact CZ3-CE2 3.73Å; K883-F887 HydrophobicContact CB-CE1 4Å; K883-F887 HydrophobicContact CB-CE2 4.43Å; K883-F887 HydrophobicContact CB-CZ 3.82Å; K883-F887 HydrophobicContact CD-CE1 4.29Å; K883-F887 HydrophobicContact CG-CE1 4.43Å; K883-F887 HydrophobicContact CG-CZ 4.24Å; K883-F887 PolarHBondContact O-N 3.47Å; K883-F887 VanDerWaalsContact O-N 3.1Å; S884-F887 VanDerWaalsContact CA-O 3.3Å; S884-F887 WeakPolarHBondContact CA-O 3.48Å
888	T	93.8	Very high	91.2	Very high	41 Å²	41	76.1 Å²	76.1	25%	0.252	38%	0.377	S	S	.	.			trans	-114.8	152.2	178	59.1	0	0	0	0	111.7	Q890 A900 I903	T888-Q890 PolarHBondContact O-N 3.47Å; T888-Q890 PolarHBondContact O-NE2 2.82Å; T888-A900 HydrophobicContact CG2-CB 4.25Å; T888-I903 HydrophobicContact CG2-CD1 4.13Å
889	C	94.9	Very high	91.4	Very high	8 Å²	8	71.2 Å²	71.2	5%	0.054	36%	0.36	C	S	.	.			trans	-61.7	128.5	-172.8	179.2	0	0	0	0	113.1	H834 W880 C891 C896 H898	H834-C889 VanDerWaalsContact CD2-SG 3.6Å; W880-C889 HydrophobicContact CH2-CB 3.59Å; W880-C889 HydrophobicContact CZ2-CB 3.73Å; W880-C889 HydrophobicContact CZ3-CB 4.2Å; C889-C891 PolarHBondContact SG-SG 3.44Å; C889-C896 VanDerWaalsContact SG-SG 3.69Å; C889-H898 HydrophobicContact CB-CB 3.88Å; C889-H898 WeakPolarHBondContact CB-O 3.35Å; C889-H898 PolarHBondContact N-O 3.47Å
890	Q	94.4	Very high	91.2	Very high	85 Å²	85	72.3 Å²	72.3	40%	0.397	38%	0.375	S	S	.	.			trans	-103.2	11.1	-177.7	-61.1	-56.1	-55.3	0	0	114.1	K768 M769 T888 G892	K768-Q890 HydrophobicContact CB-CB 4.23Å; K768-Q890 HydrophobicContact CB-CG 4.47Å; K768-Q890 HydrophobicContact CD-CB 4.41Å; M769-Q890 HydrophobicContact CG-CB 3.99Å; M769-Q890 HydrophobicContact SD-CB 4.27Å; T888-Q890 PolarHBondContact O-N 3.47Å; T888-Q890 PolarHBondContact O-NE2 2.82Å; Q890-G892 PolarHBondContact O-N 2.93Å
891	C	90.1	Very high	90.9	Very high	23 Å²	23	78.5 Å²	78.5	16%	0.155	41%	0.405	C	S	.	.			trans	-62.4	-6.8	-172	73.4	0	0	0	0	116.3	L835 C889 S893	L835-C891 HydrophobicContact CD2-CB 3.69Å; C889-C891 PolarHBondContact SG-SG 3.44Å; C891-S893 PolarHBondContact O-N 3.23Å
892	G	86.1	Confident	90.8	Very high	76 Å²	76	74.2 Å²	74.2	78%	0.784	39%	0.385	S	S	*	.			trans	67.8	0.1	175.8	0	0	0	0	0	116.4	Q890	Q890-G892 PolarHBondContact O-N 2.93Å
893	S	90.8	Very high	90.7	Very high	34 Å²	34	73 Å²	73	24%	0.238	38%	0.378	C	S	.	.			trans	-71.6	136.1	-179.5	-179	0	0	0	0	112.2	C891 K895 C896	C891-S893 PolarHBondContact O-N 3.23Å; S893-K895 PolarHBondContact O-N 3.04Å; S893-K895 VanDerWaalsContact O-N 3.07Å; S893-K895 PolarHBondContact OG-N 3.1Å; S893-C896 VanDerWaalsContact O-CB 3.24Å; S893-C896 WeakPolarHBondContact O-CB 3.49Å; S893-C896 PolarHBondContact O-N 2.99Å
894	E	88.5	Confident	90.4	Very high	206 Å²	206	74.9 Å²	74.9	96%	0.963	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.6	169.6	-61.2	-177.4	161.6	0	0	113
895	K	91	Very high	90.3	Very high	138 Å²	138	79.4 Å²	79.4	60%	0.6	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	16.2	177.4	-53.3	174.5	-167.1	160.2	0	112.8	D837 S893 K897	D837-K895 HydrophobicContact CB-CD 4.48Å; D837-K895 WeakPolarHBondContact OD2-CD 3.39Å; D837-K895 WeakPolarHBondContact OD2-CE 3.31Å; D837-K895 IonicContact OD2-NZ 2.76Å; D837-K895 PolarHBondContact OD2-NZ 3.28Å; S893-K895 PolarHBondContact O-N 3.04Å; S893-K895 VanDerWaalsContact O-N 3.07Å; S893-K895 PolarHBondContact OG-N 3.1Å; K895-K897 PolarHBondContact O-N 2.92Å
896	C	92.9	Very high	90	Very high	21 Å²	21	75.5 Å²	75.5	14%	0.142	40%	0.401	C	S	.	.			trans	-61.6	125.2	-177.7	-167.7	0	0	0	0	111.4	C889 S893 S899 A902	C889-C896 VanDerWaalsContact SG-SG 3.69Å; S893-C896 VanDerWaalsContact O-CB 3.24Å; S893-C896 WeakPolarHBondContact O-CB 3.49Å; S893-C896 PolarHBondContact O-N 2.99Å; C896-S899 PolarHBondContact SG-N 2.82Å; C896-S899 VanDerWaalsContact SG-N 3.39Å; C896-A902 VanDerWaalsContact O-CB 3.29Å; C896-A902 WeakPolarHBondContact O-CB 3.26Å
897	K	91.9	Very high	89.8	Confident	105 Å²	105	72.5 Å²	72.5	46%	0.457	39%	0.394	S	S	.	.	S	Bend	trans	-88.8	-27.1	176.5	-51.6	172.2	-165.8	155.6	0	112.6	D874 K895 A902	D874-K897 IonicContact OD2-NZ 2.91Å; D874-K897 PolarHBondContact OD2-NZ 2.98Å; K895-K897 PolarHBondContact O-N 2.92Å; K897-A902 WeakPolarHBondContact O-CB 3.31Å
898	H	93.4	Very high	89.3	Confident	18 Å²	18	70.8 Å²	70.8	8%	0.083	40%	0.395	C	S	.	.	S	Bend	trans	-119	17.6	-164.4	-41.8	-76.3	0	0	0	113.4	H834 D877 W880 C889	H834-H898 AromaticContact NE2-CD2 3.86Å; D877-H898 IonicContact OD1-CE1 3.12Å; W880-H898 AromaticContact CD1-CD2 3.36Å; W880-H898 AromaticContact CD1-CE1 3.74Å; W880-H898 AromaticContact CD1-CG 3.68Å; W880-H898 AromaticContact CD1-ND1 3.9Å; W880-H898 AromaticContact CD1-NE2 3.46Å; W880-H898 HydrophobicContact CD2-CB 3.71Å; W880-H898 AromaticContact CD2-CG 3.78Å; W880-H898 AromaticContact CE2-CD2 3.98Å; W880-H898 HydrophobicContact CE3-CB 3.9Å; W880-H898 HydrophobicContact CG-CB 4Å; W880-H898 AromaticContact CG-CD2 3.73Å; W880-H898 AromaticContact CG-CE1 3.89Å; W880-H898 AromaticContact CG-CG 3.53Å; W880-H898 AromaticContact CG-ND1 3.64Å; W880-H898 AromaticContact CG-NE2 4Å; W880-H898 HydrophobicContact CZ3-CB 4.45Å; W880-H898 AromaticContact NE1-CD2 3.49Å; W880-H898 PolarHBondContact NE1-CD2 3.09Å; W880-H898 AromaticContact NE1-CG 3.98Å; W880-H898 AromaticContact NE1-NE2 3.97Å; C889-H898 HydrophobicContact CB-CB 3.88Å; C889-H898 WeakPolarHBondContact CB-O 3.35Å; C889-H898 PolarHBondContact N-O 3.47Å
899	S	91.5	Very high	88.9	Confident	15 Å²	15	74.2 Å²	74.2	11%	0.105	40%	0.403	C	S	.	.	S	Bend	trans	-76.9	167	170.6	79.2	0	0	0	0	111.2	C896 E901 A902 I903	C896-S899 PolarHBondContact SG-N 2.82Å; C896-S899 VanDerWaalsContact SG-N 3.39Å; S899-E901 VanDerWaalsContact C-N 3.27Å; S899-E901 WeakPolarHBondContact CB-OE2 3.2Å; S899-E901 PolarHBondContact O-N 3.36Å; S899-E901 PolarHBondContact OG-N 2.94Å; S899-E901 PolarHBondContact OG-OE2 3.32Å; S899-A902 PolarHBondContact O-N 3.09Å; S899-A902 PolarHBondContact OG-N 3.5Å; S899-I903 WeakPolarHBondContact O-CB 3.3Å; S899-I903 VanDerWaalsContact O-CG1 3.32Å; S899-I903 WeakPolarHBondContact O-CG1 3.31Å; S899-I903 PolarHBondContact O-N 3.24Å
900	A	88.6	Confident	88.2	Confident	54 Å²	54	77.6 Å²	77.6	45%	0.446	42%	0.42	S	S	.	.	H	α-helix	trans	-59.3	-38.3	176.1	0	0	0	0	0	112.4	T888 A904	T888-A900 HydrophobicContact CG2-CB 4.25Å; A900-A904 WeakPolarHBondContact O-CB 3.35Å; A900-A904 PolarHBondContact O-N 3.42Å; A900-A904 VanDerWaalsContact O-N 3.07Å
901	E	87.1	Confident	87.4	Confident	140 Å²	140	76.4 Å²	76.4	65%	0.654	43%	0.425	S	S	*	.	H	α-helix	trans	-68.6	-43.9	177.3	-50.6	80.9	-178.8	0	0	111.6	S899 A904 L905	S899-E901 VanDerWaalsContact C-N 3.27Å; S899-E901 WeakPolarHBondContact CB-OE2 3.2Å; S899-E901 PolarHBondContact O-N 3.36Å; S899-E901 PolarHBondContact OG-N 2.94Å; S899-E901 PolarHBondContact OG-OE2 3.32Å; E901-A904 PolarHBondContact O-N 2.95Å; E901-L905 VanDerWaalsContact O-CB 3.28Å; E901-L905 WeakPolarHBondContact O-CB 3.41Å; E901-L905 PolarHBondContact O-N 2.9Å
902	A	87.6	Confident	86.7	Confident	21 Å²	21	84.4 Å²	84.4	17%	0.174	45%	0.452	C	S	.	.	H	α-helix	trans	-65	-46.1	-179	0	0	0	0	0	111.8	C896 K897 S899 L905 E906	C896-A902 VanDerWaalsContact O-CB 3.29Å; C896-A902 WeakPolarHBondContact O-CB 3.26Å; K897-A902 WeakPolarHBondContact O-CB 3.31Å; S899-A902 PolarHBondContact O-N 3.09Å; S899-A902 PolarHBondContact OG-N 3.5Å; A902-L905 PolarHBondContact O-N 3.43Å; A902-E906 PolarHBondContact O-N 3.41Å
903	I	87.9	Confident	85.7	Confident	45 Å²	45	86 Å²	86	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.4	-65.5	166.7	0	0	0	110.6	T888 S899 E906 Q907	T888-I903 HydrophobicContact CG2-CD1 4.13Å; S899-I903 WeakPolarHBondContact O-CB 3.3Å; S899-I903 VanDerWaalsContact O-CG1 3.32Å; S899-I903 WeakPolarHBondContact O-CG1 3.31Å; S899-I903 PolarHBondContact O-N 3.24Å; I903-E906 PolarHBondContact O-N 2.9Å; I903-Q907 WeakPolarHBondContact O-CB 3.43Å; I903-Q907 VanDerWaalsContact O-CG 3.32Å; I903-Q907 WeakPolarHBondContact O-CG 3.42Å; I903-Q907 PolarHBondContact O-N 2.95Å
904	A	85.9	Confident	84.5	Confident	54 Å²	54	89.6 Å²	89.6	45%	0.446	46%	0.456	S	S	.	.	H	α-helix	trans	-67	-35.8	177.1	0	0	0	0	0	112.9	A900 E901 S908	A900-A904 WeakPolarHBondContact O-CB 3.35Å; A900-A904 PolarHBondContact O-N 3.42Å; A900-A904 VanDerWaalsContact O-N 3.07Å; E901-A904 PolarHBondContact O-N 2.95Å; A904-S908 VanDerWaalsContact O-CB 3.26Å; A904-S908 WeakPolarHBondContact O-CB 3.44Å; A904-S908 PolarHBondContact O-N 3.07Å
905	L	86.6	Confident	83	Confident	133 Å²	133	83.4 Å²	83.4	70%	0.696	44%	0.441	S	S	*	.	H	α-helix	trans	-63.8	-44.3	174.7	-169.3	79.5	0	0	0	110.9	E901 A902 S908 R909	E901-L905 VanDerWaalsContact O-CB 3.28Å; E901-L905 WeakPolarHBondContact O-CB 3.41Å; E901-L905 PolarHBondContact O-N 2.9Å; A902-L905 PolarHBondContact O-N 3.43Å; L905-S908 WeakPolarHBondContact O-CB 3.46Å; L905-S908 PolarHBondContact O-N 3.15Å; L905-R909 WeakPolarHBondContact O-CB 3.37Å; L905-R909 PolarHBondContact O-N 2.84Å
906	E	84.1	Confident	81.3	Confident	80 Å²	80	81 Å²	81	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-70.5	-40.8	-179.7	-175.9	56.7	-161.6	0	0	112.1	A902 I903 S908 R909 L910	A902-E906 PolarHBondContact O-N 3.41Å; I903-E906 PolarHBondContact O-N 2.9Å; E906-S908 VanDerWaalsContact C-N 3.3Å; E906-S908 PolarHBondContact O-N 3.03Å; E906-R909 VanDerWaalsContact CD-NE 3.28Å; E906-R909 WeakPolarHBondContact O-CB 3.37Å; E906-R909 PolarHBondContact O-N 2.92Å; E906-R909 VanDerWaalsContact O-N 3.09Å; E906-R909 IonicContact OE1-CZ 3.43Å; E906-R909 VanDerWaalsContact OE1-CZ 3.25Å; E906-R909 IonicContact OE1-NE 2.77Å; E906-R909 PolarHBondContact OE1-NE 3.26Å; E906-R909 IonicContact OE1-NH2 3.24Å; E906-R909 PolarHBondContact OE1-NH2 3.36Å; E906-R909 WeakPolarHBondContact OE2-CD 3.29Å; E906-R909 IonicContact OE2-CZ 3.26Å; E906-R909 IonicContact OE2-NE 2.66Å; E906-R909 PolarHBondContact OE2-NE 3.33Å; E906-R909 IonicContact OE2-NH2 3.11Å; E906-L910 HydrophobicContact CG-CD1 4.38Å; E906-L910 WeakPolarHBondContact O-CG 3.35Å; E906-L910 PolarHBondContact O-N 3.45Å
907	Q	84.2	Confident	79.2	Confident	126 Å²	126	84.1 Å²	84.1	59%	0.589	46%	0.463	S	S	*	.	H	α-helix	trans	-59.6	-40.4	170.8	-72.5	176.2	5.5	0	0	111.8	I903 R909 L910 A911	I903-Q907 WeakPolarHBondContact O-CB 3.43Å; I903-Q907 VanDerWaalsContact O-CG 3.32Å; I903-Q907 WeakPolarHBondContact O-CG 3.42Å; I903-Q907 PolarHBondContact O-N 2.95Å; Q907-R909 VanDerWaalsContact C-N 3.34Å; Q907-L910 PolarHBondContact O-N 3.21Å; Q907-A911 WeakPolarHBondContact O-CB 3.49Å; Q907-A911 PolarHBondContact O-N 3.48Å
908	S	83.4	Confident	77	Confident	64 Å²	64	88.1 Å²	88.1	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-34.1	173.8	-174.8	0	0	0	0	112.6	A904 L905 E906 R912	A904-S908 VanDerWaalsContact O-CB 3.26Å; A904-S908 WeakPolarHBondContact O-CB 3.44Å; A904-S908 PolarHBondContact O-N 3.07Å; L905-S908 WeakPolarHBondContact O-CB 3.46Å; L905-S908 PolarHBondContact O-N 3.15Å; E906-S908 VanDerWaalsContact C-N 3.3Å; E906-S908 PolarHBondContact O-N 3.03Å; S908-R912 WeakPolarHBondContact O-CB 3.45Å; S908-R912 VanDerWaalsContact O-CG 3.26Å; S908-R912 WeakPolarHBondContact O-CG 3.29Å; S908-R912 PolarHBondContact O-N 3.38Å; S908-R912 VanDerWaalsContact O-N 3.13Å
909	R	85.6	Confident	74.8	Confident	113 Å²	113	91.9 Å²	91.9	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-66.6	-46	174.3	-165	-169.6	71.6	73.7	4.6	111.4	L905 E906 Q907 R912 M913	L905-R909 WeakPolarHBondContact O-CB 3.37Å; L905-R909 PolarHBondContact O-N 2.84Å; E906-R909 VanDerWaalsContact CD-NE 3.28Å; E906-R909 WeakPolarHBondContact O-CB 3.37Å; E906-R909 PolarHBondContact O-N 2.92Å; E906-R909 VanDerWaalsContact O-N 3.09Å; E906-R909 IonicContact OE1-CZ 3.43Å; E906-R909 VanDerWaalsContact OE1-CZ 3.25Å; E906-R909 IonicContact OE1-NE 2.77Å; E906-R909 PolarHBondContact OE1-NE 3.26Å; E906-R909 IonicContact OE1-NH2 3.24Å; E906-R909 PolarHBondContact OE1-NH2 3.36Å; E906-R909 WeakPolarHBondContact OE2-CD 3.29Å; E906-R909 IonicContact OE2-CZ 3.26Å; E906-R909 IonicContact OE2-NE 2.66Å; E906-R909 PolarHBondContact OE2-NE 3.33Å; E906-R909 IonicContact OE2-NH2 3.11Å; Q907-R909 VanDerWaalsContact C-N 3.34Å; R909-R912 PolarHBondContact O-N 3.12Å; R909-M913 PolarHBondContact NH1-SD 2.73Å; R909-M913 PolarHBondContact O-N 2.84Å; R909-M913 VanDerWaalsContact O-N 3.13Å
910	L	80.9	Confident	72.4	Confident	78 Å²	78	94.5 Å²	94.5	41%	0.408	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-50.4	177.6	-68.7	168.2	0	0	0	111.3	E906 Q907 R912 M913 D914	E906-L910 HydrophobicContact CG-CD1 4.38Å; E906-L910 WeakPolarHBondContact O-CG 3.35Å; E906-L910 PolarHBondContact O-N 3.45Å; Q907-L910 PolarHBondContact O-N 3.21Å; L910-R912 PolarHBondContact O-N 3.03Å; L910-R912 VanDerWaalsContact O-N 3.15Å; L910-M913 WeakPolarHBondContact O-CA 3.41Å; L910-M913 WeakPolarHBondContact O-CB 3.35Å; L910-M913 PolarHBondContact O-N 3.31Å; L910-D914 PolarHBondContact O-N 3.1Å
911	A	76.9	Confident	70.3	Confident	61 Å²	61	96.7 Å²	96.7	50%	0.504	56%	0.559	S	S	.	*	H	α-helix	trans	-58	-31.5	176.5	0	0	0	0	0	113.2	Q907 A915	Q907-A911 WeakPolarHBondContact O-CB 3.49Å; Q907-A911 PolarHBondContact O-N 3.48Å; A911-A915 VanDerWaalsContact O-CB 3.32Å; A911-A915 WeakPolarHBondContact O-CB 3.35Å; A911-A915 PolarHBondContact O-N 2.98Å
912	R	75.1	Confident	68	Low	191 Å²	191	97.3 Å²	97.3	72%	0.721	57%	0.567	S	S	*	*	H	α-helix	trans	-74.7	-25.3	172.7	-80.3	175.7	136.8	-164.2	-5.3	114.2	S908 R909 L910	S908-R912 WeakPolarHBondContact O-CB 3.45Å; S908-R912 VanDerWaalsContact O-CG 3.26Å; S908-R912 WeakPolarHBondContact O-CG 3.29Å; S908-R912 PolarHBondContact O-N 3.38Å; S908-R912 VanDerWaalsContact O-N 3.13Å; R909-R912 PolarHBondContact O-N 3.12Å; L910-R912 PolarHBondContact O-N 3.03Å; L910-R912 VanDerWaalsContact O-N 3.15Å
913	M	66.7	Low	65.5	Low	110 Å²	110	102 Å²	102	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-78.2	-42.2	171.8	-72.3	-172.9	63.2	0	0	111.3	R909 L910 A915 C916 S917	R909-M913 PolarHBondContact NH1-SD 2.73Å; R909-M913 PolarHBondContact O-N 2.84Å; R909-M913 VanDerWaalsContact O-N 3.13Å; L910-M913 WeakPolarHBondContact O-CA 3.41Å; L910-M913 WeakPolarHBondContact O-CB 3.35Å; L910-M913 PolarHBondContact O-N 3.31Å; M913-A915 PolarHBondContact O-N 2.92Å; M913-C916 WeakPolarHBondContact O-CA 2.89Å; M913-C916 WeakPolarHBondContact O-CB 3.49Å; M913-C916 PolarHBondContact O-N 2.83Å; M913-S917 PolarHBondContact O-N 2.69Å
914	D	65.3	Low	63	Low	108 Å²	108	103.2 Å²	103.2	58%	0.578	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-39.3	177.1	-66.3	-32.4	0	0	0	111.8	L910 C916 S917	L910-D914 PolarHBondContact O-N 3.1Å; D914-C916 PolarHBondContact O-N 3.12Å; D914-C916 VanDerWaalsContact O-N 3.13Å; D914-S917 PolarHBondContact O-N 3.18Å; D914-S917 PolarHBondContact O-OG 2.7Å
915	A	57.3	Low	60.9	Low	77 Å²	77	109.4 Å²	109.4	64%	0.636	64%	0.642	S	S	*	*	H	α-helix	trans	-65.2	-12	171.8	0	0	0	0	0	114.4	A911 M913	A911-A915 VanDerWaalsContact O-CB 3.32Å; A911-A915 WeakPolarHBondContact O-CB 3.35Å; A911-A915 PolarHBondContact O-N 2.98Å; M913-A915 PolarHBondContact O-N 2.92Å
916	C	53.7	Low	58.4	Low	87 Å²	87	110 Å²	110	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-98.4	-20.5	177.5	-105.7	0	0	0	0	113.2	M913 D914 S919	M913-C916 WeakPolarHBondContact O-CA 2.89Å; M913-C916 WeakPolarHBondContact O-CB 3.49Å; M913-C916 PolarHBondContact O-N 2.83Å; D914-C916 PolarHBondContact O-N 3.12Å; D914-C916 VanDerWaalsContact O-N 3.13Å; C916-S919 PolarHBondContact O-OG 2.64Å
917	S	48.8	Very low	56.4	Low	87 Å²	87	115.5 Å²	115.5	61%	0.608	68%	0.675	S	S	*	*	H	α-helix	trans	-74.8	-27.7	-175.6	64.8	0	0	0	0	113.3	M913 D914 S919	M913-S917 PolarHBondContact O-N 2.69Å; D914-S917 PolarHBondContact O-N 3.18Å; D914-S917 PolarHBondContact O-OG 2.7Å; S917-S919 VanDerWaalsContact C-N 3.3Å; S917-S919 PolarHBondContact O-N 3.26Å
918	E	46.3	Very low	54.2	Low	188 Å²	188	118.6 Å²	118.6	88%	0.879	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-9.5	177.5	-66.7	-160.1	134.2	0	0	115
919	S	47.4	Very low	51.9	Low	97 Å²	97	119.1 Å²	119.1	68%	0.678	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	8	-175.9	61.9	0	0	0	0	115.4	C916 S917	C916-S919 PolarHBondContact O-OG 2.64Å; S917-S919 VanDerWaalsContact C-N 3.3Å; S917-S919 PolarHBondContact O-N 3.26Å
920	G	42.1	Very low	49.7	Very low	71 Å²	71	121.3 Å²	121.3	73%	0.732	73%	0.727	S	S	*	*			trans	-99.2	37.3	-167.9	0	0	0	0	0	117.7
921	A	43.5	Very low	47.8	Very low	100 Å²	100	127.1 Å²	127.1	83%	0.826	77%	0.774	S	S	*	*			trans	-143.9	49.2	-168.8	0	0	0	0	0	118.5
922	D	39.5	Very low	46.3	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	79%	0.787	S	S	*	*			trans	-156.8	157.6	145.9	-152.3	-13	0	0	0	111.5
923	C	35.3	Very low	44.8	Very low	121 Å²	121	127.2 Å²	127.2	82%	0.818	79%	0.791	S	S	*	*			trans	28.6	134.6	166.1	-71.8	0	0	0	0	120.3
924	G	35.3	Very low	43.6	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	81%	0.805	S	S	*	*			cis	159.8	156.7	9.9	0	0	0	0	0	109.4
925	M	41.5	Very low	42.3	Very low	184 Å²	184	129.4 Å²	129.4	91%	0.906	82%	0.818	S	S	*	*			trans	-67	140.5	-171	-73.1	-173.4	174.3	0	0	115.2
926	T	33	Very low	41.4	Very low	144 Å²	144	132.6 Å²	132.6	88%	0.883	83%	0.829	S	S	*	*			trans	-150.9	136.3	133.2	10.1	0	0	0	0	112.2
927	F	43.5	Very low	40.6	Very low	196 Å²	196	135.7 Å²	135.7	86%	0.86	85%	0.845	S	S	*	*			trans	-83	144.4	167.9	-104.5	-104.1	0	0	0	110.3
928	M	36.6	Very low	40	Very low	192 Å²	192	139.1 Å²	139.1	95%	0.946	86%	0.862	S	S	*	*			trans	-175.8	142.8	136.5	-107.9	180	-161.8	0	0	114.2
929	G	36.2	Very low	39.5	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	86%	0.861	S	S	*	*			trans	95.9	107.5	136.6	0	0	0	0	0	118.8
930	N	39.5	Very low	38.9	Very low	160 Å²	160	138.6 Å²	138.6	86%	0.856	88%	0.876	S	S	*	*			trans	-62.5	152.4	163.9	-56.6	2.1	0	0	0	112.4
931	S	40.5	Very low	38.6	Very low	199 Å²	199	144.7 Å²	144.7	100%	1.392	89%	0.889	S	S	*	*				-154.1	0	116.5	-73.3	0	0	0	0	109.8

Retrieved 931 of 931 residues in 1309.5 ms (Link to these results)

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